USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 322 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0583 (180deg=-0.278) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0715 K(o=-0.072,f=-1) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0078 F(o=-0.65,f=-0.0078) USER MOD Single : A 18 HIS : no HD1:sc= -0.0196 K(o=-0.02,f=-0.97) USER MOD Single : A 20 SER OG : rot 150:sc= -0.537 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -23:sc= 0.189 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.229 -1.067 -2.732 1.00 74.31 N ATOM 2 CA MET A 1 0.962 -0.736 -3.506 1.00 14.02 C ATOM 3 C MET A 1 2.228 -1.037 -2.710 1.00 72.13 C ATOM 4 O MET A 1 3.145 -0.217 -2.649 1.00 31.51 O ATOM 5 CB MET A 1 0.939 0.739 -3.911 1.00 55.10 C ATOM 6 CG MET A 1 0.797 1.691 -2.734 1.00 71.50 C ATOM 7 SD MET A 1 0.813 3.422 -3.235 1.00 52.51 S ATOM 8 CE MET A 1 0.277 4.218 -1.722 1.00 72.43 C ATOM 0 H1 MET A 1 -1.071 -0.686 -3.210 1.00 74.31 H new ATOM 0 H2 MET A 1 -0.315 -2.100 -2.652 1.00 74.31 H new ATOM 0 H3 MET A 1 -0.152 -0.651 -1.782 1.00 74.31 H new ATOM 0 HA MET A 1 0.964 -1.352 -4.405 1.00 14.02 H new ATOM 0 HB2 MET A 1 1.858 0.974 -4.449 1.00 55.10 H new ATOM 0 HB3 MET A 1 0.113 0.904 -4.603 1.00 55.10 H new ATOM 0 HG2 MET A 1 -0.134 1.477 -2.209 1.00 71.50 H new ATOM 0 HG3 MET A 1 1.609 1.514 -2.028 1.00 71.50 H new ATOM 0 HE1 MET A 1 0.237 5.297 -1.873 1.00 72.43 H new ATOM 0 HE2 MET A 1 -0.713 3.852 -1.450 1.00 72.43 H new ATOM 0 HE3 MET A 1 0.981 3.990 -0.922 1.00 72.43 H new ATOM 18 N THR A 2 2.272 -2.218 -2.101 1.00 62.14 N ATOM 19 CA THR A 2 3.425 -2.626 -1.309 1.00 30.44 C ATOM 20 C THR A 2 4.509 -3.237 -2.189 1.00 63.01 C ATOM 21 O THR A 2 4.255 -3.614 -3.332 1.00 42.44 O ATOM 22 CB THR A 2 3.028 -3.644 -0.223 1.00 31.14 C ATOM 23 OG1 THR A 2 4.182 -4.033 0.530 1.00 44.10 O ATOM 24 CG2 THR A 2 2.383 -4.874 -0.843 1.00 61.15 C ATOM 0 H THR A 2 1.522 -2.908 -2.141 1.00 62.14 H new ATOM 0 HA THR A 2 3.813 -1.727 -0.831 1.00 30.44 H new ATOM 0 HB THR A 2 2.305 -3.170 0.440 1.00 31.14 H new ATOM 0 HG1 THR A 2 3.920 -4.679 1.219 1.00 44.10 H new ATOM 0 HG21 THR A 2 2.112 -5.578 -0.056 1.00 61.15 H new ATOM 0 HG22 THR A 2 1.488 -4.579 -1.390 1.00 61.15 H new ATOM 0 HG23 THR A 2 3.087 -5.348 -1.527 1.00 61.15 H new ATOM 32 N GLY A 3 5.720 -3.333 -1.648 1.00 42.13 N ATOM 33 CA GLY A 3 6.825 -3.900 -2.399 1.00 42.52 C ATOM 34 C GLY A 3 8.171 -3.578 -1.781 1.00 25.40 C ATOM 35 O GLY A 3 9.139 -3.302 -2.491 1.00 42.11 O ATOM 0 H GLY A 3 5.955 -3.028 -0.703 1.00 42.13 H new ATOM 0 HA2 GLY A 3 6.704 -4.982 -2.456 1.00 42.52 H new ATOM 0 HA3 GLY A 3 6.798 -3.522 -3.421 1.00 42.52 H new ATOM 39 N LEU A 4 8.235 -3.613 -0.455 1.00 13.15 N ATOM 40 CA LEU A 4 9.473 -3.322 0.260 1.00 14.53 C ATOM 41 C LEU A 4 10.393 -4.538 0.274 1.00 34.13 C ATOM 42 O LEU A 4 11.605 -4.414 0.101 1.00 75.21 O ATOM 43 CB LEU A 4 9.166 -2.883 1.693 1.00 21.13 C ATOM 44 CG LEU A 4 8.662 -1.449 1.863 1.00 22.44 C ATOM 45 CD1 LEU A 4 8.261 -1.193 3.308 1.00 54.55 C ATOM 46 CD2 LEU A 4 9.724 -0.455 1.418 1.00 2.42 C ATOM 0 H LEU A 4 7.444 -3.840 0.147 1.00 13.15 H new ATOM 0 HA LEU A 4 9.982 -2.511 -0.261 1.00 14.53 H new ATOM 0 HB2 LEU A 4 8.419 -3.561 2.107 1.00 21.13 H new ATOM 0 HB3 LEU A 4 10.070 -3.002 2.290 1.00 21.13 H new ATOM 0 HG LEU A 4 7.782 -1.316 1.234 1.00 22.44 H new ATOM 0 HD11 LEU A 4 7.905 -0.168 3.411 1.00 54.55 H new ATOM 0 HD12 LEU A 4 7.467 -1.883 3.593 1.00 54.55 H new ATOM 0 HD13 LEU A 4 9.123 -1.344 3.957 1.00 54.55 H new ATOM 0 HD21 LEU A 4 9.348 0.560 1.546 1.00 2.42 H new ATOM 0 HD22 LEU A 4 10.622 -0.588 2.021 1.00 2.42 H new ATOM 0 HD23 LEU A 4 9.963 -0.624 0.368 1.00 2.42 H new ATOM 58 N ALA A 5 9.808 -5.714 0.480 1.00 55.50 N ATOM 59 CA ALA A 5 10.574 -6.953 0.512 1.00 32.02 C ATOM 60 C ALA A 5 10.160 -7.884 -0.623 1.00 4.31 C ATOM 61 O ALA A 5 10.938 -8.735 -1.053 1.00 73.02 O ATOM 62 CB ALA A 5 10.400 -7.646 1.855 1.00 22.24 C ATOM 0 H ALA A 5 8.806 -5.834 0.627 1.00 55.50 H new ATOM 0 HA ALA A 5 11.627 -6.704 0.377 1.00 32.02 H new ATOM 0 HB1 ALA A 5 10.978 -8.570 1.865 1.00 22.24 H new ATOM 0 HB2 ALA A 5 10.751 -6.990 2.651 1.00 22.24 H new ATOM 0 HB3 ALA A 5 9.346 -7.875 2.012 1.00 22.24 H new ATOM 68 N GLU A 6 8.932 -7.716 -1.102 1.00 50.53 N ATOM 69 CA GLU A 6 8.416 -8.543 -2.187 1.00 1.33 C ATOM 70 C GLU A 6 9.249 -8.362 -3.452 1.00 40.15 C ATOM 71 O GLU A 6 9.648 -9.336 -4.090 1.00 54.02 O ATOM 72 CB GLU A 6 6.953 -8.195 -2.472 1.00 24.14 C ATOM 73 CG GLU A 6 5.968 -8.928 -1.577 1.00 22.13 C ATOM 74 CD GLU A 6 5.504 -10.242 -2.174 1.00 21.42 C ATOM 75 OE1 GLU A 6 4.624 -10.213 -3.060 1.00 3.03 O ATOM 76 OE2 GLU A 6 6.020 -11.300 -1.755 1.00 51.24 O ATOM 0 H GLU A 6 8.276 -7.015 -0.757 1.00 50.53 H new ATOM 0 HA GLU A 6 8.480 -9.586 -1.877 1.00 1.33 H new ATOM 0 HB2 GLU A 6 6.813 -7.121 -2.349 1.00 24.14 H new ATOM 0 HB3 GLU A 6 6.729 -8.429 -3.513 1.00 24.14 H new ATOM 0 HG2 GLU A 6 6.433 -9.117 -0.609 1.00 22.13 H new ATOM 0 HG3 GLU A 6 5.103 -8.290 -1.396 1.00 22.13 H new ATOM 83 N ALA A 7 9.507 -7.108 -3.810 1.00 22.22 N ATOM 84 CA ALA A 7 10.293 -6.799 -4.998 1.00 3.13 C ATOM 85 C ALA A 7 11.620 -7.550 -4.989 1.00 21.41 C ATOM 86 O ALA A 7 12.078 -8.032 -6.026 1.00 2.24 O ATOM 87 CB ALA A 7 10.534 -5.300 -5.095 1.00 42.35 C ATOM 0 H ALA A 7 9.183 -6.290 -3.294 1.00 22.22 H new ATOM 0 HA ALA A 7 9.728 -7.123 -5.872 1.00 3.13 H new ATOM 0 HB1 ALA A 7 11.122 -5.083 -5.987 1.00 42.35 H new ATOM 0 HB2 ALA A 7 9.577 -4.781 -5.156 1.00 42.35 H new ATOM 0 HB3 ALA A 7 11.075 -4.961 -4.212 1.00 42.35 H new ATOM 93 N ILE A 8 12.233 -7.646 -3.814 1.00 34.32 N ATOM 94 CA ILE A 8 13.507 -8.340 -3.671 1.00 52.24 C ATOM 95 C ILE A 8 13.318 -9.852 -3.723 1.00 23.14 C ATOM 96 O ILE A 8 14.171 -10.577 -4.234 1.00 60.02 O ATOM 97 CB ILE A 8 14.207 -7.965 -2.352 1.00 20.43 C ATOM 98 CG1 ILE A 8 14.531 -6.470 -2.327 1.00 74.11 C ATOM 99 CG2 ILE A 8 15.473 -8.790 -2.171 1.00 51.24 C ATOM 100 CD1 ILE A 8 13.379 -5.610 -1.855 1.00 20.41 C ATOM 0 H ILE A 8 11.868 -7.252 -2.947 1.00 34.32 H new ATOM 0 HA ILE A 8 14.133 -8.026 -4.506 1.00 52.24 H new ATOM 0 HB ILE A 8 13.532 -8.185 -1.525 1.00 20.43 H new ATOM 0 HG12 ILE A 8 15.389 -6.303 -1.676 1.00 74.11 H new ATOM 0 HG13 ILE A 8 14.824 -6.153 -3.328 1.00 74.11 H new ATOM 0 HG21 ILE A 8 15.957 -8.513 -1.234 1.00 51.24 H new ATOM 0 HG22 ILE A 8 15.217 -9.849 -2.148 1.00 51.24 H new ATOM 0 HG23 ILE A 8 16.153 -8.599 -3.001 1.00 51.24 H new ATOM 0 HD11 ILE A 8 13.680 -4.562 -1.863 1.00 20.41 H new ATOM 0 HD12 ILE A 8 12.526 -5.747 -2.520 1.00 20.41 H new ATOM 0 HD13 ILE A 8 13.100 -5.900 -0.842 1.00 20.41 H new ATOM 112 N ALA A 9 12.195 -10.321 -3.190 1.00 74.22 N ATOM 113 CA ALA A 9 11.892 -11.747 -3.179 1.00 31.04 C ATOM 114 C ALA A 9 11.346 -12.203 -4.527 1.00 73.23 C ATOM 115 O ALA A 9 11.030 -13.377 -4.714 1.00 71.35 O ATOM 116 CB ALA A 9 10.900 -12.067 -2.070 1.00 23.01 C ATOM 0 H ALA A 9 11.480 -9.734 -2.760 1.00 74.22 H new ATOM 0 HA ALA A 9 12.819 -12.289 -2.990 1.00 31.04 H new ATOM 0 HB1 ALA A 9 10.683 -13.135 -2.073 1.00 23.01 H new ATOM 0 HB2 ALA A 9 11.328 -11.787 -1.107 1.00 23.01 H new ATOM 0 HB3 ALA A 9 9.978 -11.509 -2.234 1.00 23.01 H new ATOM 122 N ASN A 10 11.237 -11.266 -5.464 1.00 34.51 N ATOM 123 CA ASN A 10 10.727 -11.573 -6.796 1.00 11.25 C ATOM 124 C ASN A 10 11.837 -12.114 -7.692 1.00 12.14 C ATOM 125 O ASN A 10 11.574 -12.667 -8.760 1.00 40.33 O ATOM 126 CB ASN A 10 10.109 -10.324 -7.428 1.00 0.14 C ATOM 127 CG ASN A 10 8.989 -10.659 -8.394 1.00 0.33 C ATOM 128 OD1 ASN A 10 7.945 -11.176 -7.996 1.00 22.30 O ATOM 129 ND2 ASN A 10 9.202 -10.364 -9.671 1.00 12.11 N ATOM 0 H ASN A 10 11.495 -10.289 -5.326 1.00 34.51 H new ATOM 0 HA ASN A 10 9.959 -12.340 -6.696 1.00 11.25 H new ATOM 0 HB2 ASN A 10 9.725 -9.674 -6.642 1.00 0.14 H new ATOM 0 HB3 ASN A 10 10.883 -9.765 -7.953 1.00 0.14 H new ATOM 0 HD21 ASN A 10 8.485 -10.566 -10.368 1.00 12.11 H new ATOM 0 HD22 ASN A 10 10.083 -9.936 -9.955 1.00 12.11 H new ATOM 136 N THR A 11 13.080 -11.952 -7.249 1.00 12.44 N ATOM 137 CA THR A 11 14.230 -12.423 -8.009 1.00 40.35 C ATOM 138 C THR A 11 14.961 -13.537 -7.268 1.00 53.54 C ATOM 139 O THR A 11 15.642 -14.359 -7.880 1.00 24.53 O ATOM 140 CB THR A 11 15.220 -11.278 -8.298 1.00 32.22 C ATOM 141 OG1 THR A 11 16.213 -11.713 -9.233 1.00 71.32 O ATOM 142 CG2 THR A 11 15.893 -10.809 -7.017 1.00 22.52 C ATOM 0 H THR A 11 13.315 -11.498 -6.367 1.00 12.44 H new ATOM 0 HA THR A 11 13.847 -12.810 -8.954 1.00 40.35 H new ATOM 0 HB THR A 11 14.662 -10.444 -8.723 1.00 32.22 H new ATOM 0 HG1 THR A 11 16.837 -10.979 -9.412 1.00 71.32 H new ATOM 0 HG21 THR A 11 16.587 -10.001 -7.246 1.00 22.52 H new ATOM 0 HG22 THR A 11 15.137 -10.451 -6.319 1.00 22.52 H new ATOM 0 HG23 THR A 11 16.438 -11.639 -6.567 1.00 22.52 H new ATOM 150 N VAL A 12 14.814 -13.558 -5.947 1.00 52.34 N ATOM 151 CA VAL A 12 15.459 -14.572 -5.123 1.00 33.43 C ATOM 152 C VAL A 12 15.054 -15.975 -5.561 1.00 30.42 C ATOM 153 O VAL A 12 15.769 -16.945 -5.310 1.00 4.34 O ATOM 154 CB VAL A 12 15.109 -14.391 -3.634 1.00 2.34 C ATOM 155 CG1 VAL A 12 15.485 -12.994 -3.163 1.00 41.24 C ATOM 156 CG2 VAL A 12 13.631 -14.662 -3.397 1.00 23.33 C ATOM 0 H VAL A 12 14.254 -12.884 -5.425 1.00 52.34 H new ATOM 0 HA VAL A 12 16.534 -14.449 -5.254 1.00 33.43 H new ATOM 0 HB VAL A 12 15.685 -15.112 -3.053 1.00 2.34 H new ATOM 0 HG11 VAL A 12 15.230 -12.885 -2.109 1.00 41.24 H new ATOM 0 HG12 VAL A 12 16.556 -12.841 -3.295 1.00 41.24 H new ATOM 0 HG13 VAL A 12 14.938 -12.254 -3.747 1.00 41.24 H new ATOM 0 HG21 VAL A 12 13.402 -14.529 -2.340 1.00 23.33 H new ATOM 0 HG22 VAL A 12 13.034 -13.967 -3.988 1.00 23.33 H new ATOM 0 HG23 VAL A 12 13.396 -15.684 -3.694 1.00 23.33 H new ATOM 166 N GLN A 13 13.903 -16.075 -6.217 1.00 73.35 N ATOM 167 CA GLN A 13 13.403 -17.361 -6.691 1.00 12.33 C ATOM 168 C GLN A 13 14.467 -18.094 -7.501 1.00 12.31 C ATOM 169 O GLN A 13 14.668 -19.296 -7.335 1.00 22.31 O ATOM 170 CB GLN A 13 12.146 -17.162 -7.539 1.00 53.32 C ATOM 171 CG GLN A 13 10.963 -16.615 -6.756 1.00 3.41 C ATOM 172 CD GLN A 13 9.656 -17.286 -7.128 1.00 11.11 C ATOM 173 OE1 GLN A 13 9.510 -17.821 -8.227 1.00 43.03 O ATOM 174 NE2 GLN A 13 8.696 -17.261 -6.211 1.00 73.31 N ATOM 0 H GLN A 13 13.299 -15.282 -6.433 1.00 73.35 H new ATOM 0 HA GLN A 13 13.153 -17.968 -5.821 1.00 12.33 H new ATOM 0 HB2 GLN A 13 12.375 -16.481 -8.358 1.00 53.32 H new ATOM 0 HB3 GLN A 13 11.865 -18.115 -7.986 1.00 53.32 H new ATOM 0 HG2 GLN A 13 11.145 -16.749 -5.690 1.00 3.41 H new ATOM 0 HG3 GLN A 13 10.880 -15.543 -6.933 1.00 3.41 H new ATOM 0 HE21 GLN A 13 8.860 -16.806 -5.313 1.00 73.31 H new ATOM 0 HE22 GLN A 13 7.794 -17.697 -6.405 1.00 73.31 H new ATOM 183 N ALA A 14 15.145 -17.361 -8.378 1.00 52.21 N ATOM 184 CA ALA A 14 16.189 -17.941 -9.213 1.00 62.10 C ATOM 185 C ALA A 14 17.569 -17.449 -8.788 1.00 55.11 C ATOM 186 O ALA A 14 18.559 -18.168 -8.910 1.00 65.33 O ATOM 187 CB ALA A 14 15.938 -17.613 -10.677 1.00 74.03 C ATOM 0 H ALA A 14 14.990 -16.364 -8.528 1.00 52.21 H new ATOM 0 HA ALA A 14 16.162 -19.023 -9.085 1.00 62.10 H new ATOM 0 HB1 ALA A 14 16.726 -18.053 -11.289 1.00 74.03 H new ATOM 0 HB2 ALA A 14 14.973 -18.019 -10.981 1.00 74.03 H new ATOM 0 HB3 ALA A 14 15.935 -16.531 -10.812 1.00 74.03 H new ATOM 193 N ALA A 15 17.625 -16.218 -8.289 1.00 72.33 N ATOM 194 CA ALA A 15 18.883 -15.631 -7.845 1.00 53.22 C ATOM 195 C ALA A 15 19.353 -16.263 -6.540 1.00 24.30 C ATOM 196 O ALA A 15 20.517 -16.642 -6.408 1.00 72.33 O ATOM 197 CB ALA A 15 18.733 -14.126 -7.681 1.00 2.42 C ATOM 0 H ALA A 15 16.814 -15.609 -8.182 1.00 72.33 H new ATOM 0 HA ALA A 15 19.637 -15.829 -8.606 1.00 53.22 H new ATOM 0 HB1 ALA A 15 19.680 -13.700 -7.349 1.00 2.42 H new ATOM 0 HB2 ALA A 15 18.450 -13.682 -8.636 1.00 2.42 H new ATOM 0 HB3 ALA A 15 17.961 -13.916 -6.941 1.00 2.42 H new ATOM 203 N GLN A 16 18.442 -16.373 -5.579 1.00 23.14 N ATOM 204 CA GLN A 16 18.766 -16.959 -4.283 1.00 42.41 C ATOM 205 C GLN A 16 19.850 -16.151 -3.577 1.00 22.35 C ATOM 206 O GLN A 16 20.725 -16.713 -2.918 1.00 33.21 O ATOM 207 CB GLN A 16 19.224 -18.408 -4.455 1.00 34.21 C ATOM 208 CG GLN A 16 18.238 -19.269 -5.229 1.00 25.31 C ATOM 209 CD GLN A 16 18.682 -20.715 -5.331 1.00 21.30 C ATOM 210 OE1 GLN A 16 19.119 -21.314 -4.347 1.00 51.44 O ATOM 211 NE2 GLN A 16 18.572 -21.286 -6.525 1.00 50.30 N ATOM 0 H GLN A 16 17.474 -16.064 -5.673 1.00 23.14 H new ATOM 0 HA GLN A 16 17.866 -16.941 -3.669 1.00 42.41 H new ATOM 0 HB2 GLN A 16 20.185 -18.418 -4.970 1.00 34.21 H new ATOM 0 HB3 GLN A 16 19.385 -18.849 -3.471 1.00 34.21 H new ATOM 0 HG2 GLN A 16 17.263 -19.225 -4.743 1.00 25.31 H new ATOM 0 HG3 GLN A 16 18.113 -18.860 -6.231 1.00 25.31 H new ATOM 0 HE21 GLN A 16 18.205 -20.753 -7.313 1.00 50.30 H new ATOM 0 HE22 GLN A 16 18.855 -22.258 -6.654 1.00 50.30 H new ATOM 220 N GLN A 17 19.786 -14.831 -3.719 1.00 33.41 N ATOM 221 CA GLN A 17 20.763 -13.948 -3.095 1.00 0.43 C ATOM 222 C GLN A 17 22.159 -14.197 -3.656 1.00 40.20 C ATOM 223 O GLN A 17 23.151 -14.139 -2.929 1.00 22.21 O ATOM 224 CB GLN A 17 20.767 -14.147 -1.578 1.00 61.21 C ATOM 225 CG GLN A 17 19.376 -14.240 -0.973 1.00 33.30 C ATOM 226 CD GLN A 17 19.405 -14.439 0.530 1.00 71.04 C ATOM 227 OE1 GLN A 17 20.213 -13.640 1.217 1.00 23.30 O flip ATOM 228 NE2 GLN A 17 18.709 -15.301 1.067 1.00 33.11 N flip ATOM 0 H GLN A 17 19.068 -14.350 -4.261 1.00 33.41 H new ATOM 0 HA GLN A 17 20.480 -12.919 -3.319 1.00 0.43 H new ATOM 0 HB2 GLN A 17 21.319 -15.057 -1.341 1.00 61.21 H new ATOM 0 HB3 GLN A 17 21.302 -13.319 -1.113 1.00 61.21 H new ATOM 0 HG2 GLN A 17 18.822 -13.330 -1.205 1.00 33.30 H new ATOM 0 HG3 GLN A 17 18.838 -15.068 -1.435 1.00 33.30 H new ATOM 0 HE21 GLN A 17 18.102 -15.893 0.500 1.00 33.11 H new ATOM 0 HE22 GLN A 17 18.739 -15.423 2.079 1.00 33.11 H new ATOM 237 N HIS A 18 22.229 -14.474 -4.954 1.00 73.42 N ATOM 238 CA HIS A 18 23.504 -14.732 -5.613 1.00 70.44 C ATOM 239 C HIS A 18 23.937 -13.531 -6.448 1.00 1.21 C ATOM 240 O HIS A 18 24.845 -12.792 -6.066 1.00 32.13 O ATOM 241 CB HIS A 18 23.402 -15.974 -6.500 1.00 52.32 C ATOM 242 CG HIS A 18 24.612 -16.202 -7.353 1.00 31.03 C ATOM 243 ND1 HIS A 18 24.632 -15.963 -8.711 1.00 11.14 N ATOM 244 CD2 HIS A 18 25.849 -16.649 -7.033 1.00 11.14 C ATOM 245 CE1 HIS A 18 25.828 -16.255 -9.189 1.00 42.51 C ATOM 246 NE2 HIS A 18 26.586 -16.673 -8.191 1.00 53.41 N ATOM 0 H HIS A 18 21.418 -14.526 -5.570 1.00 73.42 H new ATOM 0 HA HIS A 18 24.254 -14.906 -4.842 1.00 70.44 H new ATOM 0 HB2 HIS A 18 23.242 -16.849 -5.869 1.00 52.32 H new ATOM 0 HB3 HIS A 18 22.527 -15.880 -7.143 1.00 52.32 H new ATOM 0 HD2 HIS A 18 26.192 -16.934 -6.049 1.00 11.14 H new ATOM 0 HE1 HIS A 18 26.134 -16.167 -10.221 1.00 42.51 H new ATOM 0 HE2 HIS A 18 27.560 -16.966 -8.268 1.00 53.41 H new ATOM 254 N ASP A 19 23.283 -13.342 -7.588 1.00 72.25 N ATOM 255 CA ASP A 19 23.600 -12.230 -8.477 1.00 71.20 C ATOM 256 C ASP A 19 23.397 -10.894 -7.769 1.00 62.12 C ATOM 257 O ASP A 19 24.096 -9.920 -8.049 1.00 14.10 O ATOM 258 CB ASP A 19 22.733 -12.292 -9.735 1.00 54.44 C ATOM 259 CG ASP A 19 22.581 -13.704 -10.266 1.00 3.31 C ATOM 260 OD1 ASP A 19 23.515 -14.188 -10.939 1.00 23.31 O ATOM 261 OD2 ASP A 19 21.529 -14.325 -10.007 1.00 44.53 O ATOM 0 H ASP A 19 22.529 -13.945 -7.919 1.00 72.25 H new ATOM 0 HA ASP A 19 24.648 -12.313 -8.764 1.00 71.20 H new ATOM 0 HB2 ASP A 19 21.747 -11.882 -9.514 1.00 54.44 H new ATOM 0 HB3 ASP A 19 23.174 -11.662 -10.508 1.00 54.44 H new ATOM 266 N SER A 20 22.436 -10.856 -6.852 1.00 10.00 N ATOM 267 CA SER A 20 22.138 -9.638 -6.107 1.00 73.24 C ATOM 268 C SER A 20 23.344 -9.196 -5.284 1.00 14.10 C ATOM 269 O SER A 20 23.468 -8.025 -4.923 1.00 61.44 O ATOM 270 CB SER A 20 20.933 -9.858 -5.191 1.00 13.23 C ATOM 271 OG SER A 20 21.166 -10.925 -4.288 1.00 63.23 O ATOM 0 H SER A 20 21.850 -11.654 -6.607 1.00 10.00 H new ATOM 0 HA SER A 20 21.902 -8.851 -6.823 1.00 73.24 H new ATOM 0 HB2 SER A 20 20.725 -8.945 -4.634 1.00 13.23 H new ATOM 0 HB3 SER A 20 20.050 -10.073 -5.792 1.00 13.23 H new ATOM 0 HG SER A 20 20.673 -10.764 -3.457 1.00 63.23 H new ATOM 277 N VAL A 21 24.230 -10.141 -4.990 1.00 23.53 N ATOM 278 CA VAL A 21 25.427 -9.851 -4.210 1.00 4.12 C ATOM 279 C VAL A 21 26.348 -8.889 -4.953 1.00 74.33 C ATOM 280 O VAL A 21 27.154 -8.187 -4.343 1.00 41.12 O ATOM 281 CB VAL A 21 26.207 -11.137 -3.878 1.00 61.11 C ATOM 282 CG1 VAL A 21 27.454 -10.812 -3.069 1.00 35.51 C ATOM 283 CG2 VAL A 21 25.318 -12.121 -3.132 1.00 44.11 C ATOM 0 H VAL A 21 24.142 -11.115 -5.280 1.00 23.53 H new ATOM 0 HA VAL A 21 25.094 -9.387 -3.282 1.00 4.12 H new ATOM 0 HB VAL A 21 26.521 -11.602 -4.812 1.00 61.11 H new ATOM 0 HG11 VAL A 21 27.992 -11.733 -2.844 1.00 35.51 H new ATOM 0 HG12 VAL A 21 28.098 -10.147 -3.644 1.00 35.51 H new ATOM 0 HG13 VAL A 21 27.167 -10.323 -2.138 1.00 35.51 H new ATOM 0 HG21 VAL A 21 25.885 -13.024 -2.905 1.00 44.11 H new ATOM 0 HG22 VAL A 21 24.972 -11.667 -2.203 1.00 44.11 H new ATOM 0 HG23 VAL A 21 24.459 -12.378 -3.752 1.00 44.11 H new ATOM 293 N LYS A 22 26.222 -8.862 -6.276 1.00 14.13 N ATOM 294 CA LYS A 22 27.040 -7.985 -7.105 1.00 21.31 C ATOM 295 C LYS A 22 26.172 -7.172 -8.059 1.00 15.41 C ATOM 296 O LYS A 22 26.682 -6.449 -8.916 1.00 12.21 O ATOM 297 CB LYS A 22 28.059 -8.806 -7.900 1.00 13.45 C ATOM 298 CG LYS A 22 29.330 -8.043 -8.229 1.00 1.41 C ATOM 299 CD LYS A 22 30.327 -8.915 -8.973 1.00 50.12 C ATOM 300 CE LYS A 22 31.715 -8.292 -8.982 1.00 32.52 C ATOM 301 NZ LYS A 22 32.684 -9.108 -9.765 1.00 73.11 N ATOM 0 H LYS A 22 25.561 -9.438 -6.797 1.00 14.13 H new ATOM 0 HA LYS A 22 27.570 -7.296 -6.448 1.00 21.31 H new ATOM 0 HB2 LYS A 22 28.318 -9.698 -7.330 1.00 13.45 H new ATOM 0 HB3 LYS A 22 27.597 -9.143 -8.828 1.00 13.45 H new ATOM 0 HG2 LYS A 22 29.085 -7.171 -8.835 1.00 1.41 H new ATOM 0 HG3 LYS A 22 29.783 -7.675 -7.308 1.00 1.41 H new ATOM 0 HD2 LYS A 22 30.372 -9.899 -8.505 1.00 50.12 H new ATOM 0 HD3 LYS A 22 29.987 -9.064 -9.998 1.00 50.12 H new ATOM 0 HE2 LYS A 22 31.660 -7.289 -9.405 1.00 32.52 H new ATOM 0 HE3 LYS A 22 32.073 -8.187 -7.958 1.00 32.52 H new ATOM 0 HZ1 LYS A 22 33.618 -8.650 -9.747 1.00 73.11 H new ATOM 0 HZ2 LYS A 22 32.756 -10.058 -9.347 1.00 73.11 H new ATOM 0 HZ3 LYS A 22 32.356 -9.187 -10.749 1.00 73.11 H new ATOM 315 N LEU A 23 24.858 -7.293 -7.904 1.00 53.44 N ATOM 316 CA LEU A 23 23.918 -6.567 -8.751 1.00 54.25 C ATOM 317 C LEU A 23 23.078 -5.597 -7.926 1.00 42.44 C ATOM 318 O LEU A 23 21.882 -5.435 -8.166 1.00 64.23 O ATOM 319 CB LEU A 23 23.005 -7.547 -9.491 1.00 3.00 C ATOM 320 CG LEU A 23 23.637 -8.298 -10.664 1.00 1.24 C ATOM 321 CD1 LEU A 23 22.635 -9.260 -11.283 1.00 44.35 C ATOM 322 CD2 LEU A 23 24.155 -7.319 -11.707 1.00 50.40 C ATOM 0 H LEU A 23 24.420 -7.887 -7.200 1.00 53.44 H new ATOM 0 HA LEU A 23 24.492 -5.994 -9.479 1.00 54.25 H new ATOM 0 HB2 LEU A 23 22.634 -8.279 -8.774 1.00 3.00 H new ATOM 0 HB3 LEU A 23 22.140 -6.997 -9.861 1.00 3.00 H new ATOM 0 HG LEU A 23 24.481 -8.877 -10.288 1.00 1.24 H new ATOM 0 HD11 LEU A 23 23.102 -9.786 -12.116 1.00 44.35 H new ATOM 0 HD12 LEU A 23 22.313 -9.982 -10.533 1.00 44.35 H new ATOM 0 HD13 LEU A 23 21.771 -8.703 -11.644 1.00 44.35 H new ATOM 0 HD21 LEU A 23 24.601 -7.871 -12.534 1.00 50.40 H new ATOM 0 HD22 LEU A 23 23.329 -6.713 -12.079 1.00 50.40 H new ATOM 0 HD23 LEU A 23 24.906 -6.671 -11.256 1.00 50.40 H new ATOM 334 N GLY A 24 23.714 -4.951 -6.954 1.00 4.24 N ATOM 335 CA GLY A 24 23.011 -4.003 -6.109 1.00 42.22 C ATOM 336 C GLY A 24 23.314 -4.202 -4.637 1.00 41.44 C ATOM 337 O GLY A 24 23.226 -5.317 -4.122 1.00 14.41 O ATOM 0 H GLY A 24 24.704 -5.067 -6.736 1.00 4.24 H new ATOM 0 HA2 GLY A 24 23.286 -2.989 -6.399 1.00 42.22 H new ATOM 0 HA3 GLY A 24 21.938 -4.102 -6.272 1.00 42.22 H new ATOM 341 N THR A 25 23.675 -3.118 -3.957 1.00 53.31 N ATOM 342 CA THR A 25 23.995 -3.178 -2.537 1.00 32.24 C ATOM 343 C THR A 25 22.817 -2.715 -1.687 1.00 52.34 C ATOM 344 O THR A 25 22.805 -2.901 -0.471 1.00 31.43 O ATOM 345 CB THR A 25 25.226 -2.315 -2.201 1.00 31.41 C ATOM 346 OG1 THR A 25 25.609 -2.519 -0.836 1.00 44.04 O ATOM 347 CG2 THR A 25 24.934 -0.841 -2.436 1.00 70.14 C ATOM 0 H THR A 25 23.753 -2.188 -4.368 1.00 53.31 H new ATOM 0 HA THR A 25 24.217 -4.220 -2.308 1.00 32.24 H new ATOM 0 HB THR A 25 26.043 -2.616 -2.856 1.00 31.41 H new ATOM 0 HG1 THR A 25 24.839 -2.845 -0.325 1.00 44.04 H new ATOM 0 HG21 THR A 25 25.818 -0.252 -2.192 1.00 70.14 H new ATOM 0 HG22 THR A 25 24.671 -0.684 -3.482 1.00 70.14 H new ATOM 0 HG23 THR A 25 24.104 -0.529 -1.803 1.00 70.14 H new ATOM 355 N SER A 26 21.827 -2.110 -2.336 1.00 72.15 N ATOM 356 CA SER A 26 20.645 -1.617 -1.640 1.00 13.04 C ATOM 357 C SER A 26 19.528 -2.656 -1.663 1.00 14.14 C ATOM 358 O SER A 26 18.358 -2.330 -1.455 1.00 63.45 O ATOM 359 CB SER A 26 20.158 -0.314 -2.276 1.00 52.13 C ATOM 360 OG SER A 26 21.249 0.488 -2.695 1.00 73.22 O ATOM 0 H SER A 26 21.821 -1.950 -3.343 1.00 72.15 H new ATOM 0 HA SER A 26 20.919 -1.426 -0.602 1.00 13.04 H new ATOM 0 HB2 SER A 26 19.519 -0.539 -3.130 1.00 52.13 H new ATOM 0 HB3 SER A 26 19.550 0.239 -1.560 1.00 52.13 H new ATOM 0 HG SER A 26 20.911 1.314 -3.100 1.00 73.22 H new ATOM 366 N ILE A 27 19.897 -3.907 -1.916 1.00 10.10 N ATOM 367 CA ILE A 27 18.927 -4.994 -1.965 1.00 63.02 C ATOM 368 C ILE A 27 19.379 -6.173 -1.109 1.00 50.45 C ATOM 369 O ILE A 27 18.567 -6.825 -0.453 1.00 53.15 O ATOM 370 CB ILE A 27 18.699 -5.480 -3.409 1.00 0.13 C ATOM 371 CG1 ILE A 27 18.467 -4.288 -4.340 1.00 63.54 C ATOM 372 CG2 ILE A 27 17.520 -6.440 -3.464 1.00 40.23 C ATOM 373 CD1 ILE A 27 19.739 -3.746 -4.955 1.00 55.01 C ATOM 0 H ILE A 27 20.860 -4.193 -2.090 1.00 10.10 H new ATOM 0 HA ILE A 27 17.990 -4.600 -1.571 1.00 63.02 H new ATOM 0 HB ILE A 27 19.590 -6.011 -3.744 1.00 0.13 H new ATOM 0 HG12 ILE A 27 17.786 -4.587 -5.137 1.00 63.54 H new ATOM 0 HG13 ILE A 27 17.975 -3.492 -3.782 1.00 63.54 H new ATOM 0 HG21 ILE A 27 17.371 -6.775 -4.491 1.00 40.23 H new ATOM 0 HG22 ILE A 27 17.722 -7.301 -2.827 1.00 40.23 H new ATOM 0 HG23 ILE A 27 16.621 -5.933 -3.114 1.00 40.23 H new ATOM 0 HD11 ILE A 27 19.499 -2.903 -5.603 1.00 55.01 H new ATOM 0 HD12 ILE A 27 20.413 -3.416 -4.165 1.00 55.01 H new ATOM 0 HD13 ILE A 27 20.222 -4.528 -5.541 1.00 55.01 H new ATOM 385 N VAL A 28 20.681 -6.440 -1.120 1.00 1.45 N ATOM 386 CA VAL A 28 21.242 -7.538 -0.342 1.00 44.11 C ATOM 387 C VAL A 28 20.910 -7.389 1.138 1.00 31.43 C ATOM 388 O VAL A 28 20.901 -8.369 1.884 1.00 14.33 O ATOM 389 CB VAL A 28 22.772 -7.619 -0.508 1.00 14.11 C ATOM 390 CG1 VAL A 28 23.139 -7.860 -1.964 1.00 51.42 C ATOM 391 CG2 VAL A 28 23.432 -6.352 0.015 1.00 54.24 C ATOM 0 H VAL A 28 21.367 -5.911 -1.659 1.00 1.45 H new ATOM 0 HA VAL A 28 20.793 -8.456 -0.721 1.00 44.11 H new ATOM 0 HB VAL A 28 23.140 -8.461 0.078 1.00 14.11 H new ATOM 0 HG11 VAL A 28 24.223 -7.914 -2.062 1.00 51.42 H new ATOM 0 HG12 VAL A 28 22.697 -8.798 -2.300 1.00 51.42 H new ATOM 0 HG13 VAL A 28 22.760 -7.041 -2.575 1.00 51.42 H new ATOM 0 HG21 VAL A 28 24.512 -6.426 -0.110 1.00 54.24 H new ATOM 0 HG22 VAL A 28 23.061 -5.492 -0.542 1.00 54.24 H new ATOM 0 HG23 VAL A 28 23.197 -6.229 1.072 1.00 54.24 H new ATOM 401 N ASP A 29 20.637 -6.159 1.557 1.00 51.40 N ATOM 402 CA ASP A 29 20.302 -5.881 2.949 1.00 72.11 C ATOM 403 C ASP A 29 18.790 -5.859 3.150 1.00 53.03 C ATOM 404 O ASP A 29 18.292 -5.294 4.124 1.00 55.12 O ATOM 405 CB ASP A 29 20.906 -4.546 3.385 1.00 43.52 C ATOM 406 CG ASP A 29 22.418 -4.528 3.267 1.00 74.04 C ATOM 407 OD1 ASP A 29 22.952 -3.603 2.619 1.00 72.44 O ATOM 408 OD2 ASP A 29 23.066 -5.438 3.823 1.00 63.42 O ATOM 0 H ASP A 29 20.641 -5.337 0.952 1.00 51.40 H new ATOM 0 HA ASP A 29 20.721 -6.678 3.563 1.00 72.11 H new ATOM 0 HB2 ASP A 29 20.487 -3.745 2.776 1.00 43.52 H new ATOM 0 HB3 ASP A 29 20.623 -4.342 4.418 1.00 43.52 H new ATOM 413 N ILE A 30 18.066 -6.476 2.222 1.00 33.01 N ATOM 414 CA ILE A 30 16.611 -6.527 2.298 1.00 50.22 C ATOM 415 C ILE A 30 16.112 -7.967 2.330 1.00 61.42 C ATOM 416 O ILE A 30 15.099 -8.271 2.960 1.00 73.15 O ATOM 417 CB ILE A 30 15.960 -5.796 1.109 1.00 75.01 C ATOM 418 CG1 ILE A 30 16.363 -4.320 1.106 1.00 35.04 C ATOM 419 CG2 ILE A 30 14.446 -5.937 1.165 1.00 32.34 C ATOM 420 CD1 ILE A 30 15.913 -3.569 2.340 1.00 4.03 C ATOM 0 H ILE A 30 18.463 -6.947 1.409 1.00 33.01 H new ATOM 0 HA ILE A 30 16.325 -6.026 3.223 1.00 50.22 H new ATOM 0 HB ILE A 30 16.314 -6.251 0.184 1.00 75.01 H new ATOM 0 HG12 ILE A 30 17.447 -4.248 1.022 1.00 35.04 H new ATOM 0 HG13 ILE A 30 15.942 -3.838 0.224 1.00 35.04 H new ATOM 0 HG21 ILE A 30 14.000 -5.415 0.318 1.00 32.34 H new ATOM 0 HG22 ILE A 30 14.177 -6.992 1.123 1.00 32.34 H new ATOM 0 HG23 ILE A 30 14.074 -5.505 2.094 1.00 32.34 H new ATOM 0 HD11 ILE A 30 16.233 -2.529 2.270 1.00 4.03 H new ATOM 0 HD12 ILE A 30 14.826 -3.610 2.415 1.00 4.03 H new ATOM 0 HD13 ILE A 30 16.355 -4.026 3.225 1.00 4.03 H new ATOM 432 N VAL A 31 16.832 -8.852 1.648 1.00 71.54 N ATOM 433 CA VAL A 31 16.465 -10.263 1.600 1.00 54.31 C ATOM 434 C VAL A 31 16.972 -11.005 2.831 1.00 12.44 C ATOM 435 O VAL A 31 16.438 -12.049 3.203 1.00 33.10 O ATOM 436 CB VAL A 31 17.022 -10.946 0.337 1.00 42.51 C ATOM 437 CG1 VAL A 31 18.543 -10.931 0.349 1.00 21.33 C ATOM 438 CG2 VAL A 31 16.495 -12.368 0.224 1.00 10.00 C ATOM 0 H VAL A 31 17.673 -8.617 1.121 1.00 71.54 H new ATOM 0 HA VAL A 31 15.376 -10.306 1.576 1.00 54.31 H new ATOM 0 HB VAL A 31 16.684 -10.388 -0.536 1.00 42.51 H new ATOM 0 HG11 VAL A 31 18.919 -11.418 -0.551 1.00 21.33 H new ATOM 0 HG12 VAL A 31 18.896 -9.900 0.379 1.00 21.33 H new ATOM 0 HG13 VAL A 31 18.905 -11.464 1.228 1.00 21.33 H new ATOM 0 HG21 VAL A 31 16.899 -12.835 -0.674 1.00 10.00 H new ATOM 0 HG22 VAL A 31 16.801 -12.940 1.100 1.00 10.00 H new ATOM 0 HG23 VAL A 31 15.407 -12.349 0.165 1.00 10.00 H new ATOM 448 N ALA A 32 18.006 -10.457 3.461 1.00 63.11 N ATOM 449 CA ALA A 32 18.584 -11.066 4.653 1.00 45.44 C ATOM 450 C ALA A 32 18.429 -10.154 5.865 1.00 44.31 C ATOM 451 O ALA A 32 18.272 -10.624 6.991 1.00 45.22 O ATOM 452 CB ALA A 32 20.052 -11.392 4.419 1.00 2.14 C ATOM 0 H ALA A 32 18.460 -9.593 3.166 1.00 63.11 H new ATOM 0 HA ALA A 32 18.045 -11.991 4.857 1.00 45.44 H new ATOM 0 HB1 ALA A 32 20.471 -11.846 5.317 1.00 2.14 H new ATOM 0 HB2 ALA A 32 20.142 -12.088 3.585 1.00 2.14 H new ATOM 0 HB3 ALA A 32 20.596 -10.476 4.188 1.00 2.14 H new ATOM 458 N ASN A 33 18.475 -8.847 5.626 1.00 2.14 N ATOM 459 CA ASN A 33 18.341 -7.869 6.700 1.00 41.11 C ATOM 460 C ASN A 33 16.902 -7.373 6.807 1.00 3.30 C ATOM 461 O ASN A 33 16.290 -7.438 7.872 1.00 52.40 O ATOM 462 CB ASN A 33 19.284 -6.687 6.462 1.00 35.32 C ATOM 463 CG ASN A 33 20.374 -6.597 7.512 1.00 13.15 C ATOM 464 OD1 ASN A 33 21.197 -7.502 7.648 1.00 31.12 O ATOM 465 ND2 ASN A 33 20.383 -5.501 8.262 1.00 4.30 N ATOM 0 H ASN A 33 18.604 -8.441 4.699 1.00 2.14 H new ATOM 0 HA ASN A 33 18.609 -8.356 7.637 1.00 41.11 H new ATOM 0 HB2 ASN A 33 19.740 -6.782 5.476 1.00 35.32 H new ATOM 0 HB3 ASN A 33 18.708 -5.761 6.459 1.00 35.32 H new ATOM 0 HD21 ASN A 33 21.092 -5.384 8.986 1.00 4.30 H new ATOM 0 HD22 ASN A 33 19.681 -4.776 8.114 1.00 4.30 H new ATOM 472 N GLY A 34 16.368 -6.877 5.695 1.00 64.14 N ATOM 473 CA GLY A 34 15.006 -6.378 5.684 1.00 11.44 C ATOM 474 C GLY A 34 13.981 -7.485 5.833 1.00 4.22 C ATOM 475 O GLY A 34 12.825 -7.229 6.169 1.00 73.42 O ATOM 0 H GLY A 34 16.855 -6.812 4.801 1.00 64.14 H new ATOM 0 HA2 GLY A 34 14.879 -5.659 6.493 1.00 11.44 H new ATOM 0 HA3 GLY A 34 14.826 -5.843 4.751 1.00 11.44 H new ATOM 479 N VAL A 35 14.405 -8.719 5.582 1.00 64.25 N ATOM 480 CA VAL A 35 13.516 -9.870 5.689 1.00 43.23 C ATOM 481 C VAL A 35 12.940 -9.990 7.095 1.00 53.41 C ATOM 482 O VAL A 35 11.903 -10.619 7.301 1.00 52.25 O ATOM 483 CB VAL A 35 14.246 -11.178 5.332 1.00 62.32 C ATOM 484 CG1 VAL A 35 15.309 -11.498 6.372 1.00 10.10 C ATOM 485 CG2 VAL A 35 13.253 -12.324 5.203 1.00 43.42 C ATOM 0 H VAL A 35 15.359 -8.948 5.303 1.00 64.25 H new ATOM 0 HA VAL A 35 12.704 -9.710 4.979 1.00 43.23 H new ATOM 0 HB VAL A 35 14.741 -11.046 4.370 1.00 62.32 H new ATOM 0 HG11 VAL A 35 15.814 -12.426 6.103 1.00 10.10 H new ATOM 0 HG12 VAL A 35 16.036 -10.687 6.410 1.00 10.10 H new ATOM 0 HG13 VAL A 35 14.840 -11.611 7.349 1.00 10.10 H new ATOM 0 HG21 VAL A 35 13.786 -13.241 4.950 1.00 43.42 H new ATOM 0 HG22 VAL A 35 12.728 -12.459 6.149 1.00 43.42 H new ATOM 0 HG23 VAL A 35 12.533 -12.095 4.417 1.00 43.42 H new ATOM 495 N GLY A 36 13.620 -9.380 8.062 1.00 73.15 N ATOM 496 CA GLY A 36 13.160 -9.430 9.437 1.00 13.00 C ATOM 497 C GLY A 36 11.898 -8.619 9.656 1.00 32.21 C ATOM 498 O GLY A 36 11.285 -8.686 10.723 1.00 45.42 O ATOM 0 H GLY A 36 14.481 -8.852 7.917 1.00 73.15 H new ATOM 0 HA2 GLY A 36 12.975 -10.467 9.718 1.00 13.00 H new ATOM 0 HA3 GLY A 36 13.946 -9.057 10.094 1.00 13.00 H new ATOM 502 N LEU A 37 11.508 -7.850 8.646 1.00 72.25 N ATOM 503 CA LEU A 37 10.311 -7.021 8.733 1.00 53.03 C ATOM 504 C LEU A 37 9.077 -7.796 8.281 1.00 22.32 C ATOM 505 O LEU A 37 7.989 -7.629 8.833 1.00 12.42 O ATOM 506 CB LEU A 37 10.476 -5.761 7.881 1.00 72.55 C ATOM 507 CG LEU A 37 11.171 -4.579 8.557 1.00 33.53 C ATOM 508 CD1 LEU A 37 11.383 -3.446 7.566 1.00 62.13 C ATOM 509 CD2 LEU A 37 10.362 -4.099 9.754 1.00 62.23 C ATOM 0 H LEU A 37 12.003 -7.783 7.757 1.00 72.25 H new ATOM 0 HA LEU A 37 10.174 -6.732 9.775 1.00 53.03 H new ATOM 0 HB2 LEU A 37 11.039 -6.024 6.985 1.00 72.55 H new ATOM 0 HB3 LEU A 37 9.488 -5.437 7.553 1.00 72.55 H new ATOM 0 HG LEU A 37 12.147 -4.910 8.912 1.00 33.53 H new ATOM 0 HD11 LEU A 37 11.879 -2.614 8.066 1.00 62.13 H new ATOM 0 HD12 LEU A 37 12.003 -3.796 6.741 1.00 62.13 H new ATOM 0 HD13 LEU A 37 10.419 -3.115 7.180 1.00 62.13 H new ATOM 0 HD21 LEU A 37 10.871 -3.257 10.223 1.00 62.23 H new ATOM 0 HD22 LEU A 37 9.372 -3.785 9.422 1.00 62.23 H new ATOM 0 HD23 LEU A 37 10.262 -4.911 10.475 1.00 62.23 H new ATOM 521 N LEU A 38 9.254 -8.647 7.276 1.00 5.42 N ATOM 522 CA LEU A 38 8.156 -9.451 6.751 1.00 1.44 C ATOM 523 C LEU A 38 8.259 -10.894 7.234 1.00 60.04 C ATOM 524 O LEU A 38 7.409 -11.726 6.921 1.00 55.05 O ATOM 525 CB LEU A 38 8.154 -9.411 5.222 1.00 1.42 C ATOM 526 CG LEU A 38 8.822 -10.593 4.519 1.00 14.00 C ATOM 527 CD1 LEU A 38 8.669 -10.473 3.011 1.00 54.43 C ATOM 528 CD2 LEU A 38 10.292 -10.681 4.902 1.00 13.25 C ATOM 0 H LEU A 38 10.148 -8.798 6.808 1.00 5.42 H new ATOM 0 HA LEU A 38 7.221 -9.030 7.120 1.00 1.44 H new ATOM 0 HB2 LEU A 38 7.120 -9.348 4.881 1.00 1.42 H new ATOM 0 HB3 LEU A 38 8.651 -8.495 4.902 1.00 1.42 H new ATOM 0 HG LEU A 38 8.328 -11.509 4.842 1.00 14.00 H new ATOM 0 HD11 LEU A 38 9.151 -11.323 2.528 1.00 54.43 H new ATOM 0 HD12 LEU A 38 7.610 -10.461 2.753 1.00 54.43 H new ATOM 0 HD13 LEU A 38 9.136 -9.549 2.670 1.00 54.43 H new ATOM 0 HD21 LEU A 38 10.751 -11.528 4.392 1.00 13.25 H new ATOM 0 HD22 LEU A 38 10.800 -9.762 4.609 1.00 13.25 H new ATOM 0 HD23 LEU A 38 10.380 -10.816 5.980 1.00 13.25 H new ATOM 540 N GLY A 39 9.306 -11.184 8.000 1.00 44.51 N ATOM 541 CA GLY A 39 9.500 -12.526 8.515 1.00 61.41 C ATOM 542 C GLY A 39 8.271 -13.057 9.226 1.00 23.41 C ATOM 543 O GLY A 39 7.891 -14.214 9.045 1.00 73.24 O ATOM 0 H GLY A 39 10.024 -10.513 8.273 1.00 44.51 H new ATOM 0 HA2 GLY A 39 9.757 -13.194 7.693 1.00 61.41 H new ATOM 0 HA3 GLY A 39 10.344 -12.529 9.204 1.00 61.41 H new ATOM 547 N LYS A 40 7.649 -12.211 10.040 1.00 72.51 N ATOM 548 CA LYS A 40 6.456 -12.601 10.782 1.00 12.12 C ATOM 549 C LYS A 40 5.346 -13.045 9.834 1.00 22.04 C ATOM 550 O LYS A 40 4.494 -13.857 10.197 1.00 31.02 O ATOM 551 CB LYS A 40 5.966 -11.438 11.648 1.00 44.20 C ATOM 552 CG LYS A 40 5.602 -10.197 10.851 1.00 64.32 C ATOM 553 CD LYS A 40 4.115 -10.150 10.541 1.00 5.33 C ATOM 554 CE LYS A 40 3.828 -9.296 9.316 1.00 42.31 C ATOM 555 NZ LYS A 40 3.782 -7.845 9.649 1.00 24.02 N ATOM 0 H LYS A 40 7.951 -11.251 10.203 1.00 72.51 H new ATOM 0 HA LYS A 40 6.718 -13.441 11.426 1.00 12.12 H new ATOM 0 HB2 LYS A 40 5.095 -11.762 12.218 1.00 44.20 H new ATOM 0 HB3 LYS A 40 6.742 -11.182 12.370 1.00 44.20 H new ATOM 0 HG2 LYS A 40 5.886 -9.307 11.412 1.00 64.32 H new ATOM 0 HG3 LYS A 40 6.169 -10.182 9.920 1.00 64.32 H new ATOM 0 HD2 LYS A 40 3.745 -11.162 10.375 1.00 5.33 H new ATOM 0 HD3 LYS A 40 3.576 -9.750 11.399 1.00 5.33 H new ATOM 0 HE2 LYS A 40 4.596 -9.471 8.563 1.00 42.31 H new ATOM 0 HE3 LYS A 40 2.877 -9.598 8.877 1.00 42.31 H new ATOM 0 HZ1 LYS A 40 3.584 -7.297 8.787 1.00 24.02 H new ATOM 0 HZ2 LYS A 40 3.032 -7.673 10.349 1.00 24.02 H new ATOM 0 HZ3 LYS A 40 4.698 -7.550 10.044 1.00 24.02 H new ATOM 569 N LEU A 41 5.363 -12.509 8.619 1.00 31.10 N ATOM 570 CA LEU A 41 4.359 -12.852 7.618 1.00 54.30 C ATOM 571 C LEU A 41 4.679 -14.191 6.962 1.00 54.25 C ATOM 572 O LEU A 41 3.908 -15.145 7.066 1.00 74.05 O ATOM 573 CB LEU A 41 4.276 -11.756 6.554 1.00 43.12 C ATOM 574 CG LEU A 41 2.901 -11.533 5.924 1.00 34.44 C ATOM 575 CD1 LEU A 41 2.831 -10.166 5.262 1.00 24.21 C ATOM 576 CD2 LEU A 41 2.591 -12.632 4.918 1.00 53.11 C ATOM 0 H LEU A 41 6.061 -11.835 8.303 1.00 31.10 H new ATOM 0 HA LEU A 41 3.395 -12.936 8.120 1.00 54.30 H new ATOM 0 HB2 LEU A 41 4.605 -10.818 7.001 1.00 43.12 H new ATOM 0 HB3 LEU A 41 4.983 -11.995 5.759 1.00 43.12 H new ATOM 0 HG LEU A 41 2.151 -11.569 6.714 1.00 34.44 H new ATOM 0 HD11 LEU A 41 1.845 -10.026 4.819 1.00 24.21 H new ATOM 0 HD12 LEU A 41 3.007 -9.391 6.008 1.00 24.21 H new ATOM 0 HD13 LEU A 41 3.591 -10.099 4.483 1.00 24.21 H new ATOM 0 HD21 LEU A 41 1.609 -12.457 4.479 1.00 53.11 H new ATOM 0 HD22 LEU A 41 3.345 -12.628 4.131 1.00 53.11 H new ATOM 0 HD23 LEU A 41 2.597 -13.599 5.422 1.00 53.11 H new ATOM 588 N PHE A 42 5.822 -14.255 6.287 1.00 32.11 N ATOM 589 CA PHE A 42 6.245 -15.478 5.615 1.00 50.14 C ATOM 590 C PHE A 42 7.036 -16.374 6.563 1.00 65.03 C ATOM 591 O PHE A 42 6.543 -17.406 7.016 1.00 42.02 O ATOM 592 CB PHE A 42 7.092 -15.142 4.386 1.00 64.14 C ATOM 593 CG PHE A 42 6.356 -14.342 3.350 1.00 13.51 C ATOM 594 CD1 PHE A 42 5.826 -14.957 2.227 1.00 1.43 C ATOM 595 CD2 PHE A 42 6.193 -12.974 3.499 1.00 4.44 C ATOM 596 CE1 PHE A 42 5.147 -14.223 1.273 1.00 43.14 C ATOM 597 CE2 PHE A 42 5.515 -12.235 2.548 1.00 3.23 C ATOM 598 CZ PHE A 42 4.993 -12.860 1.433 1.00 13.10 C ATOM 0 H PHE A 42 6.472 -13.475 6.191 1.00 32.11 H new ATOM 0 HA PHE A 42 5.352 -16.016 5.296 1.00 50.14 H new ATOM 0 HB2 PHE A 42 7.974 -14.586 4.704 1.00 64.14 H new ATOM 0 HB3 PHE A 42 7.445 -16.069 3.934 1.00 64.14 H new ATOM 0 HD1 PHE A 42 5.945 -16.022 2.096 1.00 1.43 H new ATOM 0 HD2 PHE A 42 6.601 -12.480 4.368 1.00 4.44 H new ATOM 0 HE1 PHE A 42 4.737 -14.715 0.403 1.00 43.14 H new ATOM 0 HE2 PHE A 42 5.394 -11.170 2.677 1.00 3.23 H new ATOM 0 HZ PHE A 42 4.465 -12.284 0.687 1.00 13.10 H new ATOM 608 N GLY A 43 8.269 -15.971 6.858 1.00 72.22 N ATOM 609 CA GLY A 43 9.110 -16.748 7.749 1.00 32.43 C ATOM 610 C GLY A 43 10.270 -17.404 7.027 1.00 73.41 C ATOM 611 O GLY A 43 10.521 -18.598 7.196 1.00 11.21 O ATOM 0 H GLY A 43 8.700 -15.120 6.496 1.00 72.22 H new ATOM 0 HA2 GLY A 43 9.496 -16.100 8.536 1.00 32.43 H new ATOM 0 HA3 GLY A 43 8.508 -17.516 8.235 1.00 32.43 H new ATOM 615 N PHE A 44 10.978 -16.624 6.218 1.00 62.04 N ATOM 616 CA PHE A 44 12.117 -17.137 5.464 1.00 34.03 C ATOM 617 C PHE A 44 13.144 -17.771 6.397 1.00 65.43 C ATOM 618 O PHE A 44 14.119 -17.131 6.789 1.00 31.13 O ATOM 619 CB PHE A 44 12.769 -16.013 4.657 1.00 61.02 C ATOM 620 CG PHE A 44 11.940 -15.552 3.492 1.00 33.04 C ATOM 621 CD1 PHE A 44 11.969 -16.238 2.289 1.00 23.11 C ATOM 622 CD2 PHE A 44 11.131 -14.432 3.601 1.00 31.33 C ATOM 623 CE1 PHE A 44 11.207 -15.817 1.216 1.00 41.23 C ATOM 624 CE2 PHE A 44 10.366 -14.007 2.532 1.00 43.44 C ATOM 625 CZ PHE A 44 10.405 -14.699 1.337 1.00 3.10 C ATOM 0 H PHE A 44 10.784 -15.634 6.067 1.00 62.04 H new ATOM 0 HA PHE A 44 11.753 -17.902 4.779 1.00 34.03 H new ATOM 0 HB2 PHE A 44 12.958 -15.166 5.316 1.00 61.02 H new ATOM 0 HB3 PHE A 44 13.737 -16.354 4.291 1.00 61.02 H new ATOM 0 HD1 PHE A 44 12.595 -17.112 2.188 1.00 23.11 H new ATOM 0 HD2 PHE A 44 11.098 -13.885 4.532 1.00 31.33 H new ATOM 0 HE1 PHE A 44 11.238 -16.361 0.284 1.00 41.23 H new ATOM 0 HE2 PHE A 44 9.738 -13.134 2.631 1.00 43.44 H new ATOM 0 HZ PHE A 44 9.810 -14.367 0.499 1.00 3.10 H new TER 635 PHE A 44