USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 108:sc= 0.16 USER MOD Single : A 10 ASN : amide:sc= -0.216 K(o=-0.22,f=0.94) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 17 GLN : amide:sc= -0.912 K(o=-0.91,f=-1.8) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 20 SER OG : rot 150:sc= -0.313 USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0358) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.013 USER MOD Single : A 33 ASN : amide:sc= -0.0512 K(o=-0.051,f=-1.3) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.091 -0.972 0.381 1.00 64.33 N ATOM 2 CA MET A 1 2.810 -0.607 -0.834 1.00 63.14 C ATOM 3 C MET A 1 3.583 -1.800 -1.388 1.00 71.03 C ATOM 4 O MET A 1 4.657 -2.142 -0.893 1.00 2.14 O ATOM 5 CB MET A 1 3.769 0.552 -0.556 1.00 64.03 C ATOM 6 CG MET A 1 3.158 1.921 -0.809 1.00 61.42 C ATOM 7 SD MET A 1 3.209 2.394 -2.548 1.00 62.54 S ATOM 8 CE MET A 1 1.619 3.199 -2.727 1.00 64.00 C ATOM 0 H1 MET A 1 1.573 -0.145 0.739 1.00 64.33 H new ATOM 0 H2 MET A 1 1.419 -1.737 0.170 1.00 64.33 H new ATOM 0 H3 MET A 1 2.768 -1.295 1.101 1.00 64.33 H new ATOM 0 HA MET A 1 2.078 -0.293 -1.579 1.00 63.14 H new ATOM 0 HB2 MET A 1 4.101 0.497 0.481 1.00 64.03 H new ATOM 0 HB3 MET A 1 4.655 0.438 -1.181 1.00 64.03 H new ATOM 0 HG2 MET A 1 2.123 1.922 -0.467 1.00 61.42 H new ATOM 0 HG3 MET A 1 3.690 2.667 -0.218 1.00 61.42 H new ATOM 0 HE1 MET A 1 1.501 3.548 -3.753 1.00 64.00 H new ATOM 0 HE2 MET A 1 0.824 2.491 -2.491 1.00 64.00 H new ATOM 0 HE3 MET A 1 1.562 4.048 -2.046 1.00 64.00 H new ATOM 18 N THR A 2 3.029 -2.431 -2.419 1.00 64.22 N ATOM 19 CA THR A 2 3.666 -3.587 -3.039 1.00 54.41 C ATOM 20 C THR A 2 5.030 -3.221 -3.613 1.00 55.14 C ATOM 21 O THR A 2 5.365 -2.044 -3.740 1.00 24.20 O ATOM 22 CB THR A 2 2.790 -4.175 -4.161 1.00 71.42 C ATOM 23 OG1 THR A 2 3.335 -5.423 -4.604 1.00 60.24 O ATOM 24 CG2 THR A 2 2.695 -3.212 -5.335 1.00 35.41 C ATOM 0 H THR A 2 2.141 -2.161 -2.842 1.00 64.22 H new ATOM 0 HA THR A 2 3.793 -4.336 -2.257 1.00 54.41 H new ATOM 0 HB THR A 2 1.788 -4.337 -3.763 1.00 71.42 H new ATOM 0 HG1 THR A 2 2.767 -6.158 -4.291 1.00 60.24 H new ATOM 0 HG21 THR A 2 2.071 -3.649 -6.115 1.00 35.41 H new ATOM 0 HG22 THR A 2 2.253 -2.273 -5.001 1.00 35.41 H new ATOM 0 HG23 THR A 2 3.692 -3.023 -5.732 1.00 35.41 H new ATOM 32 N GLY A 3 5.813 -4.238 -3.961 1.00 15.04 N ATOM 33 CA GLY A 3 7.131 -4.002 -4.518 1.00 64.13 C ATOM 34 C GLY A 3 8.213 -3.973 -3.457 1.00 10.43 C ATOM 35 O GLY A 3 9.397 -4.126 -3.761 1.00 53.42 O ATOM 0 H GLY A 3 5.557 -5.221 -3.867 1.00 15.04 H new ATOM 0 HA2 GLY A 3 7.360 -4.782 -5.244 1.00 64.13 H new ATOM 0 HA3 GLY A 3 7.130 -3.055 -5.057 1.00 64.13 H new ATOM 39 N LEU A 4 7.808 -3.774 -2.207 1.00 51.13 N ATOM 40 CA LEU A 4 8.752 -3.723 -1.096 1.00 13.10 C ATOM 41 C LEU A 4 9.661 -4.947 -1.097 1.00 62.44 C ATOM 42 O LEU A 4 10.885 -4.824 -1.069 1.00 42.33 O ATOM 43 CB LEU A 4 8.000 -3.633 0.233 1.00 22.24 C ATOM 44 CG LEU A 4 7.685 -2.223 0.732 1.00 13.41 C ATOM 45 CD1 LEU A 4 6.648 -2.269 1.844 1.00 50.12 C ATOM 46 CD2 LEU A 4 8.952 -1.530 1.211 1.00 63.20 C ATOM 0 H LEU A 4 6.833 -3.645 -1.938 1.00 51.13 H new ATOM 0 HA LEU A 4 9.371 -2.834 -1.218 1.00 13.10 H new ATOM 0 HB2 LEU A 4 7.062 -4.180 0.135 1.00 22.24 H new ATOM 0 HB3 LEU A 4 8.588 -4.144 0.996 1.00 22.24 H new ATOM 0 HG LEU A 4 7.273 -1.649 -0.098 1.00 13.41 H new ATOM 0 HD11 LEU A 4 6.437 -1.256 2.186 1.00 50.12 H new ATOM 0 HD12 LEU A 4 5.731 -2.724 1.468 1.00 50.12 H new ATOM 0 HD13 LEU A 4 7.032 -2.860 2.675 1.00 50.12 H new ATOM 0 HD21 LEU A 4 8.708 -0.528 1.562 1.00 63.20 H new ATOM 0 HD22 LEU A 4 9.394 -2.103 2.026 1.00 63.20 H new ATOM 0 HD23 LEU A 4 9.663 -1.463 0.388 1.00 63.20 H new ATOM 58 N ALA A 5 9.054 -6.129 -1.132 1.00 71.14 N ATOM 59 CA ALA A 5 9.809 -7.376 -1.142 1.00 51.10 C ATOM 60 C ALA A 5 9.569 -8.153 -2.432 1.00 43.32 C ATOM 61 O ALA A 5 10.415 -8.937 -2.861 1.00 21.03 O ATOM 62 CB ALA A 5 9.439 -8.226 0.065 1.00 43.05 C ATOM 0 H ALA A 5 8.041 -6.249 -1.154 1.00 71.14 H new ATOM 0 HA ALA A 5 10.870 -7.130 -1.089 1.00 51.10 H new ATOM 0 HB1 ALA A 5 10.010 -9.154 0.045 1.00 43.05 H new ATOM 0 HB2 ALA A 5 9.668 -7.679 0.979 1.00 43.05 H new ATOM 0 HB3 ALA A 5 8.374 -8.455 0.036 1.00 43.05 H new ATOM 68 N GLU A 6 8.411 -7.929 -3.046 1.00 23.42 N ATOM 69 CA GLU A 6 8.061 -8.611 -4.287 1.00 2.34 C ATOM 70 C GLU A 6 9.124 -8.374 -5.356 1.00 31.12 C ATOM 71 O GLU A 6 9.463 -9.278 -6.119 1.00 44.42 O ATOM 72 CB GLU A 6 6.699 -8.131 -4.791 1.00 53.20 C ATOM 73 CG GLU A 6 5.531 -8.942 -4.255 1.00 10.31 C ATOM 74 CD GLU A 6 4.295 -8.832 -5.127 1.00 2.22 C ATOM 75 OE1 GLU A 6 3.409 -8.016 -4.798 1.00 53.31 O ATOM 76 OE2 GLU A 6 4.214 -9.561 -6.137 1.00 23.31 O ATOM 0 H GLU A 6 7.700 -7.282 -2.705 1.00 23.42 H new ATOM 0 HA GLU A 6 8.008 -9.680 -4.082 1.00 2.34 H new ATOM 0 HB2 GLU A 6 6.565 -7.087 -4.510 1.00 53.20 H new ATOM 0 HB3 GLU A 6 6.689 -8.172 -5.880 1.00 53.20 H new ATOM 0 HG2 GLU A 6 5.825 -9.989 -4.179 1.00 10.31 H new ATOM 0 HG3 GLU A 6 5.291 -8.604 -3.247 1.00 10.31 H new ATOM 83 N ALA A 7 9.644 -7.152 -5.404 1.00 65.20 N ATOM 84 CA ALA A 7 10.669 -6.796 -6.378 1.00 21.23 C ATOM 85 C ALA A 7 11.926 -7.637 -6.184 1.00 62.31 C ATOM 86 O ALA A 7 12.396 -8.291 -7.116 1.00 22.34 O ATOM 87 CB ALA A 7 11.002 -5.315 -6.276 1.00 72.01 C ATOM 0 H ALA A 7 9.373 -6.392 -4.780 1.00 65.20 H new ATOM 0 HA ALA A 7 10.276 -7.001 -7.374 1.00 21.23 H new ATOM 0 HB1 ALA A 7 11.769 -5.063 -7.009 1.00 72.01 H new ATOM 0 HB2 ALA A 7 10.106 -4.726 -6.471 1.00 72.01 H new ATOM 0 HB3 ALA A 7 11.371 -5.093 -5.275 1.00 72.01 H new ATOM 93 N ILE A 8 12.466 -7.615 -4.970 1.00 61.12 N ATOM 94 CA ILE A 8 13.669 -8.376 -4.656 1.00 33.24 C ATOM 95 C ILE A 8 13.447 -9.869 -4.874 1.00 63.10 C ATOM 96 O ILE A 8 14.341 -10.579 -5.334 1.00 3.31 O ATOM 97 CB ILE A 8 14.118 -8.143 -3.201 1.00 43.21 C ATOM 98 CG1 ILE A 8 14.427 -6.662 -2.971 1.00 41.02 C ATOM 99 CG2 ILE A 8 15.334 -8.999 -2.878 1.00 74.25 C ATOM 100 CD1 ILE A 8 13.271 -5.889 -2.375 1.00 63.23 C ATOM 0 H ILE A 8 12.090 -7.079 -4.188 1.00 61.12 H new ATOM 0 HA ILE A 8 14.450 -8.025 -5.330 1.00 33.24 H new ATOM 0 HB ILE A 8 13.306 -8.434 -2.535 1.00 43.21 H new ATOM 0 HG12 ILE A 8 15.289 -6.578 -2.310 1.00 41.02 H new ATOM 0 HG13 ILE A 8 14.707 -6.206 -3.920 1.00 41.02 H new ATOM 0 HG21 ILE A 8 15.639 -8.823 -1.846 1.00 74.25 H new ATOM 0 HG22 ILE A 8 15.083 -10.052 -3.008 1.00 74.25 H new ATOM 0 HG23 ILE A 8 16.152 -8.736 -3.548 1.00 74.25 H new ATOM 0 HD11 ILE A 8 13.561 -4.847 -2.240 1.00 63.23 H new ATOM 0 HD12 ILE A 8 12.413 -5.942 -3.046 1.00 63.23 H new ATOM 0 HD13 ILE A 8 13.004 -6.320 -1.410 1.00 63.23 H new ATOM 112 N ALA A 9 12.249 -10.339 -4.542 1.00 41.35 N ATOM 113 CA ALA A 9 11.908 -11.746 -4.706 1.00 23.50 C ATOM 114 C ALA A 9 11.578 -12.066 -6.160 1.00 22.10 C ATOM 115 O ALA A 9 11.286 -13.211 -6.503 1.00 2.04 O ATOM 116 CB ALA A 9 10.740 -12.115 -3.804 1.00 55.31 C ATOM 0 H ALA A 9 11.498 -9.765 -4.158 1.00 41.35 H new ATOM 0 HA ALA A 9 12.776 -12.340 -4.419 1.00 23.50 H new ATOM 0 HB1 ALA A 9 10.496 -13.169 -3.937 1.00 55.31 H new ATOM 0 HB2 ALA A 9 11.012 -11.934 -2.764 1.00 55.31 H new ATOM 0 HB3 ALA A 9 9.874 -11.507 -4.063 1.00 55.31 H new ATOM 122 N ASN A 10 11.626 -11.046 -7.011 1.00 30.22 N ATOM 123 CA ASN A 10 11.330 -11.219 -8.428 1.00 44.05 C ATOM 124 C ASN A 10 12.568 -11.686 -9.189 1.00 52.22 C ATOM 125 O ASN A 10 12.480 -12.103 -10.345 1.00 1.14 O ATOM 126 CB ASN A 10 10.814 -9.909 -9.027 1.00 5.44 C ATOM 127 CG ASN A 10 9.949 -10.133 -10.252 1.00 23.53 C ATOM 128 OD1 ASN A 10 10.388 -10.733 -11.234 1.00 10.44 O ATOM 129 ND2 ASN A 10 8.713 -9.652 -10.199 1.00 72.10 N ATOM 0 H ASN A 10 11.867 -10.092 -6.744 1.00 30.22 H new ATOM 0 HA ASN A 10 10.558 -11.982 -8.521 1.00 44.05 H new ATOM 0 HB2 ASN A 10 10.239 -9.370 -8.274 1.00 5.44 H new ATOM 0 HB3 ASN A 10 11.661 -9.277 -9.294 1.00 5.44 H new ATOM 0 HD21 ASN A 10 8.084 -9.773 -10.993 1.00 72.10 H new ATOM 0 HD22 ASN A 10 8.392 -9.161 -9.364 1.00 72.10 H new ATOM 136 N THR A 11 13.722 -11.613 -8.533 1.00 32.22 N ATOM 137 CA THR A 11 14.977 -12.027 -9.146 1.00 63.32 C ATOM 138 C THR A 11 15.596 -13.200 -8.395 1.00 33.44 C ATOM 139 O THR A 11 16.352 -13.987 -8.965 1.00 34.10 O ATOM 140 CB THR A 11 15.991 -10.868 -9.189 1.00 72.11 C ATOM 141 OG1 THR A 11 17.108 -11.225 -10.010 1.00 44.32 O ATOM 142 CG2 THR A 11 16.474 -10.520 -7.789 1.00 40.24 C ATOM 0 H THR A 11 13.813 -11.271 -7.576 1.00 32.22 H new ATOM 0 HA THR A 11 14.744 -12.334 -10.165 1.00 63.32 H new ATOM 0 HB THR A 11 15.494 -9.995 -9.612 1.00 72.11 H new ATOM 0 HG1 THR A 11 17.747 -10.483 -10.033 1.00 44.32 H new ATOM 0 HG21 THR A 11 17.189 -9.699 -7.844 1.00 40.24 H new ATOM 0 HG22 THR A 11 15.625 -10.221 -7.175 1.00 40.24 H new ATOM 0 HG23 THR A 11 16.955 -11.391 -7.343 1.00 40.24 H new ATOM 150 N VAL A 12 15.269 -13.313 -7.111 1.00 25.01 N ATOM 151 CA VAL A 12 15.792 -14.392 -6.281 1.00 71.11 C ATOM 152 C VAL A 12 15.464 -15.755 -6.881 1.00 12.30 C ATOM 153 O VAL A 12 16.154 -16.740 -6.621 1.00 40.13 O ATOM 154 CB VAL A 12 15.226 -14.324 -4.850 1.00 44.21 C ATOM 155 CG1 VAL A 12 15.508 -12.964 -4.229 1.00 20.32 C ATOM 156 CG2 VAL A 12 13.734 -14.619 -4.853 1.00 21.13 C ATOM 0 H VAL A 12 14.645 -12.671 -6.623 1.00 25.01 H new ATOM 0 HA VAL A 12 16.874 -14.266 -6.242 1.00 71.11 H new ATOM 0 HB VAL A 12 15.722 -15.083 -4.245 1.00 44.21 H new ATOM 0 HG11 VAL A 12 15.101 -12.934 -3.218 1.00 20.32 H new ATOM 0 HG12 VAL A 12 16.585 -12.797 -4.192 1.00 20.32 H new ATOM 0 HG13 VAL A 12 15.041 -12.185 -4.831 1.00 20.32 H new ATOM 0 HG21 VAL A 12 13.351 -14.567 -3.834 1.00 21.13 H new ATOM 0 HG22 VAL A 12 13.219 -13.885 -5.472 1.00 21.13 H new ATOM 0 HG23 VAL A 12 13.561 -15.617 -5.255 1.00 21.13 H new ATOM 166 N GLN A 13 14.406 -15.802 -7.685 1.00 23.34 N ATOM 167 CA GLN A 13 13.987 -17.045 -8.321 1.00 53.05 C ATOM 168 C GLN A 13 15.153 -17.705 -9.049 1.00 44.21 C ATOM 169 O GLN A 13 15.330 -18.921 -8.985 1.00 12.14 O ATOM 170 CB GLN A 13 12.843 -16.779 -9.302 1.00 62.42 C ATOM 171 CG GLN A 13 11.516 -16.480 -8.623 1.00 65.12 C ATOM 172 CD GLN A 13 10.396 -17.377 -9.111 1.00 52.33 C ATOM 173 OE1 GLN A 13 10.300 -18.540 -8.719 1.00 11.24 O ATOM 174 NE2 GLN A 13 9.540 -16.839 -9.973 1.00 32.34 N ATOM 0 H GLN A 13 13.825 -14.995 -7.911 1.00 23.34 H new ATOM 0 HA GLN A 13 13.639 -17.723 -7.542 1.00 53.05 H new ATOM 0 HB2 GLN A 13 13.112 -15.938 -9.941 1.00 62.42 H new ATOM 0 HB3 GLN A 13 12.722 -17.647 -9.950 1.00 62.42 H new ATOM 0 HG2 GLN A 13 11.629 -16.599 -7.545 1.00 65.12 H new ATOM 0 HG3 GLN A 13 11.247 -15.439 -8.802 1.00 65.12 H new ATOM 0 HE21 GLN A 13 9.657 -15.871 -10.271 1.00 32.34 H new ATOM 0 HE22 GLN A 13 8.766 -17.394 -10.337 1.00 32.34 H new ATOM 183 N ALA A 14 15.947 -16.894 -9.741 1.00 61.23 N ATOM 184 CA ALA A 14 17.098 -17.399 -10.480 1.00 30.23 C ATOM 185 C ALA A 14 18.404 -16.984 -9.811 1.00 63.42 C ATOM 186 O ALA A 14 19.375 -17.740 -9.803 1.00 23.24 O ATOM 187 CB ALA A 14 17.059 -16.906 -11.919 1.00 25.24 C ATOM 0 H ALA A 14 15.814 -15.885 -9.805 1.00 61.23 H new ATOM 0 HA ALA A 14 17.050 -18.488 -10.480 1.00 30.23 H new ATOM 0 HB1 ALA A 14 17.924 -17.291 -12.459 1.00 25.24 H new ATOM 0 HB2 ALA A 14 16.146 -17.257 -12.399 1.00 25.24 H new ATOM 0 HB3 ALA A 14 17.079 -15.816 -11.931 1.00 25.24 H new ATOM 193 N ALA A 15 18.421 -15.779 -9.253 1.00 12.45 N ATOM 194 CA ALA A 15 19.608 -15.264 -8.581 1.00 33.34 C ATOM 195 C ALA A 15 19.876 -16.022 -7.285 1.00 3.55 C ATOM 196 O ALA A 15 21.000 -16.455 -7.031 1.00 34.24 O ATOM 197 CB ALA A 15 19.454 -13.776 -8.303 1.00 34.35 C ATOM 0 H ALA A 15 17.626 -15.140 -9.253 1.00 12.45 H new ATOM 0 HA ALA A 15 20.463 -15.412 -9.241 1.00 33.34 H new ATOM 0 HB1 ALA A 15 20.348 -13.405 -7.801 1.00 34.35 H new ATOM 0 HB2 ALA A 15 19.318 -13.242 -9.244 1.00 34.35 H new ATOM 0 HB3 ALA A 15 18.585 -13.613 -7.665 1.00 34.35 H new ATOM 203 N GLN A 16 18.838 -16.176 -6.469 1.00 5.23 N ATOM 204 CA GLN A 16 18.964 -16.880 -5.198 1.00 43.30 C ATOM 205 C GLN A 16 19.935 -16.158 -4.270 1.00 4.14 C ATOM 206 O GLN A 16 20.701 -16.792 -3.544 1.00 10.42 O ATOM 207 CB GLN A 16 19.436 -18.316 -5.431 1.00 75.22 C ATOM 208 CG GLN A 16 18.615 -19.065 -6.469 1.00 35.05 C ATOM 209 CD GLN A 16 19.033 -20.515 -6.608 1.00 32.52 C ATOM 210 OE1 GLN A 16 20.123 -20.903 -6.185 1.00 53.43 O ATOM 211 NE2 GLN A 16 18.166 -21.327 -7.203 1.00 24.24 N ATOM 0 H GLN A 16 17.901 -15.823 -6.665 1.00 5.23 H new ATOM 0 HA GLN A 16 17.983 -16.900 -4.724 1.00 43.30 H new ATOM 0 HB2 GLN A 16 20.479 -18.300 -5.747 1.00 75.22 H new ATOM 0 HB3 GLN A 16 19.397 -18.860 -4.487 1.00 75.22 H new ATOM 0 HG2 GLN A 16 17.561 -19.019 -6.195 1.00 35.05 H new ATOM 0 HG3 GLN A 16 18.715 -18.568 -7.434 1.00 35.05 H new ATOM 0 HE21 GLN A 16 17.274 -20.963 -7.538 1.00 24.24 H new ATOM 0 HE22 GLN A 16 18.392 -22.314 -7.324 1.00 24.24 H new ATOM 220 N GLN A 17 19.898 -14.830 -4.299 1.00 52.40 N ATOM 221 CA GLN A 17 20.776 -14.022 -3.460 1.00 72.34 C ATOM 222 C GLN A 17 22.239 -14.246 -3.830 1.00 35.33 C ATOM 223 O GLN A 17 23.107 -14.306 -2.959 1.00 44.11 O ATOM 224 CB GLN A 17 20.554 -14.355 -1.984 1.00 74.20 C ATOM 225 CG GLN A 17 19.087 -14.471 -1.600 1.00 42.25 C ATOM 226 CD GLN A 17 18.886 -14.644 -0.108 1.00 2.31 C ATOM 227 OE1 GLN A 17 19.784 -14.365 0.688 1.00 52.55 O ATOM 228 NE2 GLN A 17 17.704 -15.106 0.281 1.00 73.11 N ATOM 0 H GLN A 17 19.270 -14.290 -4.894 1.00 52.40 H new ATOM 0 HA GLN A 17 20.534 -12.973 -3.628 1.00 72.34 H new ATOM 0 HB2 GLN A 17 21.057 -15.294 -1.752 1.00 74.20 H new ATOM 0 HB3 GLN A 17 21.021 -13.584 -1.372 1.00 74.20 H new ATOM 0 HG2 GLN A 17 18.557 -13.579 -1.933 1.00 42.25 H new ATOM 0 HG3 GLN A 17 18.644 -15.319 -2.123 1.00 42.25 H new ATOM 0 HE21 GLN A 17 16.988 -15.324 -0.412 1.00 73.11 H new ATOM 0 HE22 GLN A 17 17.511 -15.243 1.273 1.00 73.11 H new ATOM 237 N HIS A 18 22.504 -14.370 -5.126 1.00 61.13 N ATOM 238 CA HIS A 18 23.863 -14.587 -5.611 1.00 75.41 C ATOM 239 C HIS A 18 24.385 -13.351 -6.337 1.00 32.04 C ATOM 240 O HIS A 18 25.224 -12.619 -5.811 1.00 73.10 O ATOM 241 CB HIS A 18 23.906 -15.797 -6.545 1.00 31.41 C ATOM 242 CG HIS A 18 25.225 -15.977 -7.231 1.00 70.41 C ATOM 243 ND1 HIS A 18 25.433 -15.660 -8.557 1.00 2.13 N ATOM 244 CD2 HIS A 18 26.408 -16.444 -6.767 1.00 50.41 C ATOM 245 CE1 HIS A 18 26.687 -15.925 -8.879 1.00 13.31 C ATOM 246 NE2 HIS A 18 27.300 -16.401 -7.810 1.00 51.04 N ATOM 0 H HIS A 18 21.797 -14.324 -5.859 1.00 61.13 H new ATOM 0 HA HIS A 18 24.503 -14.778 -4.750 1.00 75.41 H new ATOM 0 HB2 HIS A 18 23.678 -16.696 -5.972 1.00 31.41 H new ATOM 0 HB3 HIS A 18 23.125 -15.692 -7.298 1.00 31.41 H new ATOM 0 HD2 HIS A 18 26.612 -16.787 -5.763 1.00 50.41 H new ATOM 0 HE1 HIS A 18 27.135 -15.778 -9.851 1.00 13.31 H new ATOM 0 HE2 HIS A 18 28.277 -16.690 -7.766 1.00 51.04 H new ATOM 254 N ASP A 19 23.884 -13.125 -7.546 1.00 71.21 N ATOM 255 CA ASP A 19 24.300 -11.977 -8.344 1.00 33.43 C ATOM 256 C ASP A 19 24.010 -10.672 -7.610 1.00 10.14 C ATOM 257 O ASP A 19 24.680 -9.663 -7.829 1.00 52.24 O ATOM 258 CB ASP A 19 23.587 -11.985 -9.697 1.00 42.21 C ATOM 259 CG ASP A 19 24.253 -11.071 -10.707 1.00 12.42 C ATOM 260 OD1 ASP A 19 23.539 -10.526 -11.575 1.00 43.14 O ATOM 261 OD2 ASP A 19 25.487 -10.899 -10.628 1.00 60.10 O ATOM 0 H ASP A 19 23.189 -13.721 -7.995 1.00 71.21 H new ATOM 0 HA ASP A 19 25.375 -12.049 -8.508 1.00 33.43 H new ATOM 0 HB2 ASP A 19 23.568 -13.002 -10.089 1.00 42.21 H new ATOM 0 HB3 ASP A 19 22.550 -11.677 -9.560 1.00 42.21 H new ATOM 266 N SER A 20 23.007 -10.699 -6.738 1.00 21.24 N ATOM 267 CA SER A 20 22.625 -9.517 -5.975 1.00 3.34 C ATOM 268 C SER A 20 23.725 -9.126 -4.992 1.00 11.12 C ATOM 269 O SER A 20 23.922 -7.946 -4.699 1.00 72.42 O ATOM 270 CB SER A 20 21.318 -9.770 -5.221 1.00 24.22 C ATOM 271 OG SER A 20 20.196 -9.442 -6.021 1.00 60.44 O ATOM 0 H SER A 20 22.444 -11.527 -6.543 1.00 21.24 H new ATOM 0 HA SER A 20 22.478 -8.695 -6.676 1.00 3.34 H new ATOM 0 HB2 SER A 20 21.263 -10.817 -4.924 1.00 24.22 H new ATOM 0 HB3 SER A 20 21.302 -9.178 -4.306 1.00 24.22 H new ATOM 0 HG SER A 20 19.439 -10.013 -5.773 1.00 60.44 H new ATOM 277 N VAL A 21 24.439 -10.126 -4.485 1.00 4.33 N ATOM 278 CA VAL A 21 25.520 -9.888 -3.535 1.00 63.35 C ATOM 279 C VAL A 21 26.656 -9.103 -4.181 1.00 41.32 C ATOM 280 O VAL A 21 27.428 -8.430 -3.497 1.00 40.05 O ATOM 281 CB VAL A 21 26.078 -11.211 -2.978 1.00 20.23 C ATOM 282 CG1 VAL A 21 27.066 -10.942 -1.853 1.00 32.33 C ATOM 283 CG2 VAL A 21 24.945 -12.108 -2.501 1.00 2.53 C ATOM 0 H VAL A 21 24.289 -11.108 -4.716 1.00 4.33 H new ATOM 0 HA VAL A 21 25.099 -9.305 -2.716 1.00 63.35 H new ATOM 0 HB VAL A 21 26.608 -11.728 -3.778 1.00 20.23 H new ATOM 0 HG11 VAL A 21 27.450 -11.888 -1.472 1.00 32.33 H new ATOM 0 HG12 VAL A 21 27.893 -10.341 -2.231 1.00 32.33 H new ATOM 0 HG13 VAL A 21 26.564 -10.404 -1.049 1.00 32.33 H new ATOM 0 HG21 VAL A 21 25.357 -13.038 -2.111 1.00 2.53 H new ATOM 0 HG22 VAL A 21 24.386 -11.601 -1.715 1.00 2.53 H new ATOM 0 HG23 VAL A 21 24.279 -12.328 -3.336 1.00 2.53 H new ATOM 293 N LYS A 22 26.753 -9.192 -5.503 1.00 52.14 N ATOM 294 CA LYS A 22 27.793 -8.488 -6.244 1.00 62.41 C ATOM 295 C LYS A 22 27.248 -7.205 -6.862 1.00 73.14 C ATOM 296 O LYS A 22 28.006 -6.294 -7.197 1.00 60.14 O ATOM 297 CB LYS A 22 28.367 -9.391 -7.339 1.00 3.42 C ATOM 298 CG LYS A 22 29.786 -9.028 -7.744 1.00 75.01 C ATOM 299 CD LYS A 22 30.788 -9.414 -6.670 1.00 3.44 C ATOM 300 CE LYS A 22 31.253 -10.853 -6.831 1.00 52.14 C ATOM 301 NZ LYS A 22 32.223 -11.000 -7.951 1.00 45.11 N ATOM 0 H LYS A 22 26.123 -9.745 -6.084 1.00 52.14 H new ATOM 0 HA LYS A 22 28.587 -8.224 -5.545 1.00 62.41 H new ATOM 0 HB2 LYS A 22 28.350 -10.424 -6.992 1.00 3.42 H new ATOM 0 HB3 LYS A 22 27.723 -9.338 -8.217 1.00 3.42 H new ATOM 0 HG2 LYS A 22 30.039 -9.532 -8.677 1.00 75.01 H new ATOM 0 HG3 LYS A 22 29.849 -7.956 -7.933 1.00 75.01 H new ATOM 0 HD2 LYS A 22 31.648 -8.746 -6.716 1.00 3.44 H new ATOM 0 HD3 LYS A 22 30.336 -9.285 -5.686 1.00 3.44 H new ATOM 0 HE2 LYS A 22 31.715 -11.191 -5.904 1.00 52.14 H new ATOM 0 HE3 LYS A 22 30.391 -11.495 -7.010 1.00 52.14 H new ATOM 0 HZ1 LYS A 22 32.656 -11.945 -7.913 1.00 45.11 H new ATOM 0 HZ2 LYS A 22 31.727 -10.882 -8.858 1.00 45.11 H new ATOM 0 HZ3 LYS A 22 32.964 -10.276 -7.865 1.00 45.11 H new ATOM 315 N LEU A 23 25.929 -7.139 -7.010 1.00 1.12 N ATOM 316 CA LEU A 23 25.282 -5.966 -7.587 1.00 13.24 C ATOM 317 C LEU A 23 23.868 -5.799 -7.038 1.00 62.10 C ATOM 318 O LEU A 23 22.968 -6.571 -7.368 1.00 4.45 O ATOM 319 CB LEU A 23 25.239 -6.080 -9.111 1.00 70.44 C ATOM 320 CG LEU A 23 24.459 -4.989 -9.845 1.00 11.21 C ATOM 321 CD1 LEU A 23 22.993 -5.374 -9.972 1.00 2.00 C ATOM 322 CD2 LEU A 23 24.602 -3.656 -9.125 1.00 15.12 C ATOM 0 H LEU A 23 25.287 -7.884 -6.738 1.00 1.12 H new ATOM 0 HA LEU A 23 25.866 -5.088 -7.311 1.00 13.24 H new ATOM 0 HB2 LEU A 23 26.263 -6.080 -9.484 1.00 70.44 H new ATOM 0 HB3 LEU A 23 24.805 -7.046 -9.371 1.00 70.44 H new ATOM 0 HG LEU A 23 24.874 -4.884 -10.848 1.00 11.21 H new ATOM 0 HD11 LEU A 23 22.454 -4.585 -10.497 1.00 2.00 H new ATOM 0 HD12 LEU A 23 22.909 -6.306 -10.531 1.00 2.00 H new ATOM 0 HD13 LEU A 23 22.564 -5.507 -8.979 1.00 2.00 H new ATOM 0 HD21 LEU A 23 24.041 -2.891 -9.661 1.00 15.12 H new ATOM 0 HD22 LEU A 23 24.214 -3.747 -8.111 1.00 15.12 H new ATOM 0 HD23 LEU A 23 25.654 -3.374 -9.087 1.00 15.12 H new ATOM 334 N GLY A 24 23.680 -4.784 -6.200 1.00 31.11 N ATOM 335 CA GLY A 24 22.373 -4.533 -5.621 1.00 1.12 C ATOM 336 C GLY A 24 22.444 -4.238 -4.136 1.00 2.23 C ATOM 337 O GLY A 24 22.170 -5.107 -3.308 1.00 32.33 O ATOM 0 H GLY A 24 24.409 -4.131 -5.912 1.00 31.11 H new ATOM 0 HA2 GLY A 24 21.907 -3.691 -6.134 1.00 1.12 H new ATOM 0 HA3 GLY A 24 21.733 -5.400 -5.786 1.00 1.12 H new ATOM 341 N THR A 25 22.815 -3.007 -3.795 1.00 63.43 N ATOM 342 CA THR A 25 22.925 -2.600 -2.400 1.00 73.52 C ATOM 343 C THR A 25 21.557 -2.571 -1.727 1.00 42.12 C ATOM 344 O THR A 25 21.441 -2.809 -0.525 1.00 61.32 O ATOM 345 CB THR A 25 23.579 -1.212 -2.270 1.00 15.14 C ATOM 346 OG1 THR A 25 23.881 -0.940 -0.897 1.00 23.13 O ATOM 347 CG2 THR A 25 22.661 -0.128 -2.816 1.00 63.31 C ATOM 0 H THR A 25 23.044 -2.275 -4.467 1.00 63.43 H new ATOM 0 HA THR A 25 23.555 -3.338 -1.904 1.00 73.52 H new ATOM 0 HB THR A 25 24.501 -1.213 -2.852 1.00 15.14 H new ATOM 0 HG1 THR A 25 24.298 -0.056 -0.823 1.00 23.13 H new ATOM 0 HG21 THR A 25 23.144 0.844 -2.713 1.00 63.31 H new ATOM 0 HG22 THR A 25 22.455 -0.322 -3.869 1.00 63.31 H new ATOM 0 HG23 THR A 25 21.725 -0.128 -2.257 1.00 63.31 H new ATOM 355 N SER A 26 20.524 -2.278 -2.510 1.00 13.40 N ATOM 356 CA SER A 26 19.164 -2.214 -1.988 1.00 75.13 C ATOM 357 C SER A 26 18.501 -3.588 -2.029 1.00 24.02 C ATOM 358 O SER A 26 17.332 -3.736 -1.674 1.00 54.21 O ATOM 359 CB SER A 26 18.333 -1.211 -2.792 1.00 30.43 C ATOM 360 OG SER A 26 17.937 -1.759 -4.037 1.00 61.02 O ATOM 0 H SER A 26 20.603 -2.081 -3.508 1.00 13.40 H new ATOM 0 HA SER A 26 19.215 -1.885 -0.950 1.00 75.13 H new ATOM 0 HB2 SER A 26 17.450 -0.924 -2.220 1.00 30.43 H new ATOM 0 HB3 SER A 26 18.914 -0.304 -2.959 1.00 30.43 H new ATOM 0 HG SER A 26 17.406 -1.100 -4.531 1.00 61.02 H new ATOM 366 N ILE A 27 19.258 -4.590 -2.463 1.00 43.24 N ATOM 367 CA ILE A 27 18.746 -5.952 -2.550 1.00 3.25 C ATOM 368 C ILE A 27 19.291 -6.817 -1.418 1.00 4.40 C ATOM 369 O ILE A 27 18.533 -7.463 -0.696 1.00 32.43 O ATOM 370 CB ILE A 27 19.105 -6.604 -3.898 1.00 23.13 C ATOM 371 CG1 ILE A 27 19.148 -5.548 -5.004 1.00 63.44 C ATOM 372 CG2 ILE A 27 18.105 -7.698 -4.240 1.00 53.20 C ATOM 373 CD1 ILE A 27 17.854 -4.780 -5.158 1.00 21.55 C ATOM 0 H ILE A 27 20.228 -4.484 -2.760 1.00 43.24 H new ATOM 0 HA ILE A 27 17.661 -5.887 -2.465 1.00 3.25 H new ATOM 0 HB ILE A 27 20.093 -7.056 -3.815 1.00 23.13 H new ATOM 0 HG12 ILE A 27 19.955 -4.846 -4.793 1.00 63.44 H new ATOM 0 HG13 ILE A 27 19.387 -6.034 -5.950 1.00 63.44 H new ATOM 0 HG21 ILE A 27 18.372 -8.149 -5.196 1.00 53.20 H new ATOM 0 HG22 ILE A 27 18.120 -8.461 -3.462 1.00 53.20 H new ATOM 0 HG23 ILE A 27 17.105 -7.269 -4.308 1.00 53.20 H new ATOM 0 HD11 ILE A 27 17.958 -4.049 -5.960 1.00 21.55 H new ATOM 0 HD12 ILE A 27 17.047 -5.472 -5.400 1.00 21.55 H new ATOM 0 HD13 ILE A 27 17.623 -4.265 -4.225 1.00 21.55 H new ATOM 385 N VAL A 28 20.612 -6.822 -1.268 1.00 42.11 N ATOM 386 CA VAL A 28 21.260 -7.605 -0.222 1.00 52.33 C ATOM 387 C VAL A 28 20.733 -7.222 1.156 1.00 31.42 C ATOM 388 O VAL A 28 20.811 -8.007 2.101 1.00 34.45 O ATOM 389 CB VAL A 28 22.788 -7.417 -0.246 1.00 4.22 C ATOM 390 CG1 VAL A 28 23.348 -7.759 -1.618 1.00 74.42 C ATOM 391 CG2 VAL A 28 23.156 -5.994 0.149 1.00 61.50 C ATOM 0 H VAL A 28 21.254 -6.293 -1.858 1.00 42.11 H new ATOM 0 HA VAL A 28 21.027 -8.652 -0.419 1.00 52.33 H new ATOM 0 HB VAL A 28 23.231 -8.098 0.480 1.00 4.22 H new ATOM 0 HG11 VAL A 28 24.429 -7.620 -1.615 1.00 74.42 H new ATOM 0 HG12 VAL A 28 23.116 -8.797 -1.857 1.00 74.42 H new ATOM 0 HG13 VAL A 28 22.900 -7.106 -2.367 1.00 74.42 H new ATOM 0 HG21 VAL A 28 24.240 -5.879 0.127 1.00 61.50 H new ATOM 0 HG22 VAL A 28 22.702 -5.293 -0.552 1.00 61.50 H new ATOM 0 HG23 VAL A 28 22.790 -5.790 1.155 1.00 61.50 H new ATOM 401 N ASP A 29 20.196 -6.012 1.263 1.00 3.15 N ATOM 402 CA ASP A 29 19.654 -5.525 2.527 1.00 63.02 C ATOM 403 C ASP A 29 18.147 -5.752 2.595 1.00 43.11 C ATOM 404 O ASP A 29 17.433 -5.035 3.297 1.00 61.14 O ATOM 405 CB ASP A 29 19.967 -4.038 2.701 1.00 21.12 C ATOM 406 CG ASP A 29 19.015 -3.151 1.924 1.00 73.03 C ATOM 407 OD1 ASP A 29 18.619 -2.093 2.457 1.00 22.34 O ATOM 408 OD2 ASP A 29 18.666 -3.514 0.781 1.00 34.02 O ATOM 0 H ASP A 29 20.124 -5.350 0.490 1.00 3.15 H new ATOM 0 HA ASP A 29 20.124 -6.084 3.336 1.00 63.02 H new ATOM 0 HB2 ASP A 29 19.917 -3.781 3.759 1.00 21.12 H new ATOM 0 HB3 ASP A 29 20.988 -3.844 2.374 1.00 21.12 H new ATOM 413 N ILE A 30 17.671 -6.752 1.861 1.00 11.11 N ATOM 414 CA ILE A 30 16.249 -7.073 1.839 1.00 42.43 C ATOM 415 C ILE A 30 16.019 -8.567 2.039 1.00 44.31 C ATOM 416 O ILE A 30 15.093 -8.975 2.740 1.00 65.01 O ATOM 417 CB ILE A 30 15.595 -6.637 0.514 1.00 13.24 C ATOM 418 CG1 ILE A 30 15.749 -5.128 0.316 1.00 0.53 C ATOM 419 CG2 ILE A 30 14.126 -7.032 0.495 1.00 55.43 C ATOM 420 CD1 ILE A 30 15.025 -4.304 1.359 1.00 62.24 C ATOM 0 H ILE A 30 18.249 -7.354 1.274 1.00 11.11 H new ATOM 0 HA ILE A 30 15.789 -6.524 2.661 1.00 42.43 H new ATOM 0 HB ILE A 30 16.099 -7.145 -0.308 1.00 13.24 H new ATOM 0 HG12 ILE A 30 16.809 -4.874 0.335 1.00 0.53 H new ATOM 0 HG13 ILE A 30 15.374 -4.859 -0.672 1.00 0.53 H new ATOM 0 HG21 ILE A 30 13.677 -6.718 -0.447 1.00 55.43 H new ATOM 0 HG22 ILE A 30 14.039 -8.114 0.595 1.00 55.43 H new ATOM 0 HG23 ILE A 30 13.608 -6.548 1.323 1.00 55.43 H new ATOM 0 HD11 ILE A 30 15.178 -3.244 1.156 1.00 62.24 H new ATOM 0 HD12 ILE A 30 13.959 -4.530 1.325 1.00 62.24 H new ATOM 0 HD13 ILE A 30 15.416 -4.544 2.348 1.00 62.24 H new ATOM 432 N VAL A 31 16.870 -9.379 1.419 1.00 0.04 N ATOM 433 CA VAL A 31 16.762 -10.829 1.532 1.00 41.44 C ATOM 434 C VAL A 31 17.314 -11.319 2.865 1.00 20.24 C ATOM 435 O VAL A 31 16.928 -12.379 3.356 1.00 34.43 O ATOM 436 CB VAL A 31 17.510 -11.537 0.387 1.00 63.40 C ATOM 437 CG1 VAL A 31 16.926 -11.140 -0.960 1.00 10.11 C ATOM 438 CG2 VAL A 31 18.997 -11.221 0.447 1.00 61.13 C ATOM 0 H VAL A 31 17.641 -9.058 0.834 1.00 0.04 H new ATOM 0 HA VAL A 31 15.702 -11.074 1.470 1.00 41.44 H new ATOM 0 HB VAL A 31 17.385 -12.613 0.506 1.00 63.40 H new ATOM 0 HG11 VAL A 31 17.468 -11.651 -1.756 1.00 10.11 H new ATOM 0 HG12 VAL A 31 15.874 -11.423 -0.998 1.00 10.11 H new ATOM 0 HG13 VAL A 31 17.017 -10.062 -1.093 1.00 10.11 H new ATOM 0 HG21 VAL A 31 19.510 -11.729 -0.369 1.00 61.13 H new ATOM 0 HG22 VAL A 31 19.144 -10.145 0.354 1.00 61.13 H new ATOM 0 HG23 VAL A 31 19.403 -11.562 1.399 1.00 61.13 H new ATOM 448 N ALA A 32 18.220 -10.540 3.447 1.00 32.02 N ATOM 449 CA ALA A 32 18.823 -10.894 4.726 1.00 45.31 C ATOM 450 C ALA A 32 18.392 -9.927 5.823 1.00 12.50 C ATOM 451 O ALA A 32 18.130 -10.333 6.954 1.00 24.22 O ATOM 452 CB ALA A 32 20.340 -10.916 4.606 1.00 41.54 C ATOM 0 H ALA A 32 18.552 -9.660 3.053 1.00 32.02 H new ATOM 0 HA ALA A 32 18.476 -11.890 4.999 1.00 45.31 H new ATOM 0 HB1 ALA A 32 20.777 -11.182 5.568 1.00 41.54 H new ATOM 0 HB2 ALA A 32 20.635 -11.652 3.858 1.00 41.54 H new ATOM 0 HB3 ALA A 32 20.696 -9.930 4.306 1.00 41.54 H new ATOM 458 N ASN A 33 18.320 -8.644 5.481 1.00 70.35 N ATOM 459 CA ASN A 33 17.921 -7.619 6.438 1.00 40.24 C ATOM 460 C ASN A 33 16.410 -7.408 6.411 1.00 43.34 C ATOM 461 O ASN A 33 15.724 -7.627 7.408 1.00 5.42 O ATOM 462 CB ASN A 33 18.637 -6.301 6.133 1.00 72.31 C ATOM 463 CG ASN A 33 19.968 -6.187 6.851 1.00 52.03 C ATOM 464 OD1 ASN A 33 20.485 -7.169 7.384 1.00 74.03 O ATOM 465 ND2 ASN A 33 20.529 -4.984 6.868 1.00 42.44 N ATOM 0 H ASN A 33 18.533 -8.290 4.548 1.00 70.35 H new ATOM 0 HA ASN A 33 18.205 -7.957 7.435 1.00 40.24 H new ATOM 0 HB2 ASN A 33 18.799 -6.219 5.058 1.00 72.31 H new ATOM 0 HB3 ASN A 33 17.998 -5.467 6.424 1.00 72.31 H new ATOM 0 HD21 ASN A 33 21.425 -4.846 7.336 1.00 42.44 H new ATOM 0 HD22 ASN A 33 20.064 -4.198 6.413 1.00 42.44 H new ATOM 472 N GLY A 34 15.898 -6.981 5.260 1.00 21.11 N ATOM 473 CA GLY A 34 14.472 -6.748 5.124 1.00 22.00 C ATOM 474 C GLY A 34 13.647 -7.958 5.516 1.00 50.33 C ATOM 475 O GLY A 34 12.504 -7.824 5.952 1.00 54.30 O ATOM 0 H GLY A 34 16.445 -6.793 4.420 1.00 21.11 H new ATOM 0 HA2 GLY A 34 14.185 -5.900 5.745 1.00 22.00 H new ATOM 0 HA3 GLY A 34 14.248 -6.478 4.092 1.00 22.00 H new ATOM 479 N VAL A 35 14.227 -9.144 5.358 1.00 15.34 N ATOM 480 CA VAL A 35 13.537 -10.383 5.698 1.00 0.41 C ATOM 481 C VAL A 35 13.197 -10.433 7.183 1.00 12.44 C ATOM 482 O VAL A 35 12.303 -11.167 7.602 1.00 61.32 O ATOM 483 CB VAL A 35 14.386 -11.615 5.335 1.00 24.25 C ATOM 484 CG1 VAL A 35 15.617 -11.697 6.226 1.00 35.14 C ATOM 485 CG2 VAL A 35 13.555 -12.885 5.442 1.00 1.33 C ATOM 0 H VAL A 35 15.172 -9.273 4.997 1.00 15.34 H new ATOM 0 HA VAL A 35 12.615 -10.402 5.117 1.00 0.41 H new ATOM 0 HB VAL A 35 14.720 -11.513 4.303 1.00 24.25 H new ATOM 0 HG11 VAL A 35 16.205 -12.574 5.955 1.00 35.14 H new ATOM 0 HG12 VAL A 35 16.222 -10.800 6.094 1.00 35.14 H new ATOM 0 HG13 VAL A 35 15.307 -11.776 7.268 1.00 35.14 H new ATOM 0 HG21 VAL A 35 14.171 -13.746 5.182 1.00 1.33 H new ATOM 0 HG22 VAL A 35 13.189 -12.996 6.463 1.00 1.33 H new ATOM 0 HG23 VAL A 35 12.709 -12.825 4.758 1.00 1.33 H new ATOM 495 N GLY A 36 13.916 -9.645 7.977 1.00 43.32 N ATOM 496 CA GLY A 36 13.676 -9.614 9.408 1.00 55.24 C ATOM 497 C GLY A 36 12.234 -9.290 9.746 1.00 11.20 C ATOM 498 O GLY A 36 11.702 -9.766 10.749 1.00 34.54 O ATOM 0 H GLY A 36 14.661 -9.027 7.654 1.00 43.32 H new ATOM 0 HA2 GLY A 36 13.939 -10.580 9.839 1.00 55.24 H new ATOM 0 HA3 GLY A 36 14.329 -8.872 9.867 1.00 55.24 H new ATOM 502 N LEU A 37 11.600 -8.476 8.909 1.00 0.00 N ATOM 503 CA LEU A 37 10.211 -8.087 9.125 1.00 12.22 C ATOM 504 C LEU A 37 9.260 -9.192 8.678 1.00 73.21 C ATOM 505 O LEU A 37 8.084 -9.200 9.045 1.00 72.44 O ATOM 506 CB LEU A 37 9.899 -6.794 8.370 1.00 43.33 C ATOM 507 CG LEU A 37 8.991 -5.797 9.091 1.00 23.00 C ATOM 508 CD1 LEU A 37 9.816 -4.840 9.938 1.00 53.22 C ATOM 509 CD2 LEU A 37 8.141 -5.029 8.090 1.00 72.02 C ATOM 0 H LEU A 37 12.026 -8.073 8.075 1.00 0.00 H new ATOM 0 HA LEU A 37 10.069 -7.920 10.193 1.00 12.22 H new ATOM 0 HB2 LEU A 37 10.841 -6.296 8.139 1.00 43.33 H new ATOM 0 HB3 LEU A 37 9.435 -7.055 7.419 1.00 43.33 H new ATOM 0 HG LEU A 37 8.325 -6.353 9.751 1.00 23.00 H new ATOM 0 HD11 LEU A 37 9.153 -4.138 10.444 1.00 53.22 H new ATOM 0 HD12 LEU A 37 10.380 -5.405 10.680 1.00 53.22 H new ATOM 0 HD13 LEU A 37 10.507 -4.291 9.298 1.00 53.22 H new ATOM 0 HD21 LEU A 37 7.501 -4.324 8.621 1.00 72.02 H new ATOM 0 HD22 LEU A 37 8.790 -4.484 7.404 1.00 72.02 H new ATOM 0 HD23 LEU A 37 7.522 -5.727 7.527 1.00 72.02 H new ATOM 521 N LEU A 38 9.776 -10.125 7.886 1.00 62.04 N ATOM 522 CA LEU A 38 8.974 -11.238 7.390 1.00 53.34 C ATOM 523 C LEU A 38 8.915 -12.366 8.414 1.00 24.31 C ATOM 524 O LEU A 38 7.839 -12.857 8.751 1.00 21.35 O ATOM 525 CB LEU A 38 9.549 -11.759 6.072 1.00 74.35 C ATOM 526 CG LEU A 38 9.263 -10.911 4.832 1.00 15.31 C ATOM 527 CD1 LEU A 38 7.766 -10.697 4.665 1.00 1.23 C ATOM 528 CD2 LEU A 38 9.987 -9.576 4.921 1.00 43.41 C ATOM 0 H LEU A 38 10.747 -10.133 7.573 1.00 62.04 H new ATOM 0 HA LEU A 38 7.961 -10.875 7.219 1.00 53.34 H new ATOM 0 HB2 LEU A 38 10.629 -11.853 6.182 1.00 74.35 H new ATOM 0 HB3 LEU A 38 9.158 -12.762 5.900 1.00 74.35 H new ATOM 0 HG LEU A 38 9.633 -11.445 3.957 1.00 15.31 H new ATOM 0 HD11 LEU A 38 7.582 -10.091 3.778 1.00 1.23 H new ATOM 0 HD12 LEU A 38 7.271 -11.662 4.555 1.00 1.23 H new ATOM 0 HD13 LEU A 38 7.372 -10.184 5.542 1.00 1.23 H new ATOM 0 HD21 LEU A 38 9.772 -8.986 4.030 1.00 43.41 H new ATOM 0 HD22 LEU A 38 9.647 -9.036 5.805 1.00 43.41 H new ATOM 0 HD23 LEU A 38 11.061 -9.749 4.992 1.00 43.41 H new ATOM 540 N GLY A 39 10.082 -12.772 8.908 1.00 53.25 N ATOM 541 CA GLY A 39 10.141 -13.838 9.890 1.00 1.13 C ATOM 542 C GLY A 39 9.261 -13.567 11.094 1.00 54.50 C ATOM 543 O GLY A 39 8.804 -14.495 11.761 1.00 73.21 O ATOM 0 H GLY A 39 10.987 -12.381 8.645 1.00 53.25 H new ATOM 0 HA2 GLY A 39 9.835 -14.775 9.424 1.00 1.13 H new ATOM 0 HA3 GLY A 39 11.172 -13.968 10.219 1.00 1.13 H new ATOM 547 N LYS A 40 9.022 -12.290 11.375 1.00 44.11 N ATOM 548 CA LYS A 40 8.191 -11.897 12.507 1.00 64.32 C ATOM 549 C LYS A 40 6.711 -11.969 12.146 1.00 61.42 C ATOM 550 O LYS A 40 5.858 -12.149 13.016 1.00 74.55 O ATOM 551 CB LYS A 40 8.548 -10.480 12.960 1.00 1.14 C ATOM 552 CG LYS A 40 8.226 -9.412 11.929 1.00 25.22 C ATOM 553 CD LYS A 40 8.212 -8.025 12.549 1.00 42.22 C ATOM 554 CE LYS A 40 6.843 -7.682 13.116 1.00 41.45 C ATOM 555 NZ LYS A 40 6.891 -6.478 13.992 1.00 62.34 N ATOM 0 H LYS A 40 9.393 -11.509 10.834 1.00 44.11 H new ATOM 0 HA LYS A 40 8.382 -12.592 13.325 1.00 64.32 H new ATOM 0 HB2 LYS A 40 8.011 -10.256 13.882 1.00 1.14 H new ATOM 0 HB3 LYS A 40 9.612 -10.439 13.193 1.00 1.14 H new ATOM 0 HG2 LYS A 40 8.963 -9.445 11.127 1.00 25.22 H new ATOM 0 HG3 LYS A 40 7.255 -9.620 11.479 1.00 25.22 H new ATOM 0 HD2 LYS A 40 8.959 -7.972 13.341 1.00 42.22 H new ATOM 0 HD3 LYS A 40 8.491 -7.286 11.798 1.00 42.22 H new ATOM 0 HE2 LYS A 40 6.144 -7.508 12.298 1.00 41.45 H new ATOM 0 HE3 LYS A 40 6.463 -8.530 13.685 1.00 41.45 H new ATOM 0 HZ1 LYS A 40 5.939 -6.277 14.359 1.00 62.34 H new ATOM 0 HZ2 LYS A 40 7.538 -6.653 14.787 1.00 62.34 H new ATOM 0 HZ3 LYS A 40 7.230 -5.662 13.443 1.00 62.34 H new ATOM 569 N LEU A 41 6.413 -11.829 10.859 1.00 63.31 N ATOM 570 CA LEU A 41 5.035 -11.880 10.382 1.00 24.25 C ATOM 571 C LEU A 41 4.645 -13.303 9.997 1.00 34.44 C ATOM 572 O LEU A 41 3.778 -13.912 10.626 1.00 62.14 O ATOM 573 CB LEU A 41 4.855 -10.947 9.184 1.00 73.44 C ATOM 574 CG LEU A 41 4.629 -9.471 9.510 1.00 12.21 C ATOM 575 CD1 LEU A 41 4.948 -8.602 8.303 1.00 23.33 C ATOM 576 CD2 LEU A 41 3.197 -9.240 9.972 1.00 44.41 C ATOM 0 H LEU A 41 7.107 -11.679 10.127 1.00 63.31 H new ATOM 0 HA LEU A 41 4.383 -11.551 11.191 1.00 24.25 H new ATOM 0 HB2 LEU A 41 5.739 -11.027 8.551 1.00 73.44 H new ATOM 0 HB3 LEU A 41 4.008 -11.302 8.596 1.00 73.44 H new ATOM 0 HG LEU A 41 5.301 -9.191 10.321 1.00 12.21 H new ATOM 0 HD11 LEU A 41 4.781 -7.555 8.554 1.00 23.33 H new ATOM 0 HD12 LEU A 41 5.990 -8.745 8.017 1.00 23.33 H new ATOM 0 HD13 LEU A 41 4.302 -8.883 7.471 1.00 23.33 H new ATOM 0 HD21 LEU A 41 3.054 -8.184 10.200 1.00 44.41 H new ATOM 0 HD22 LEU A 41 2.507 -9.537 9.182 1.00 44.41 H new ATOM 0 HD23 LEU A 41 3.003 -9.833 10.866 1.00 44.41 H new ATOM 588 N PHE A 42 5.291 -13.829 8.962 1.00 32.31 N ATOM 589 CA PHE A 42 5.012 -15.182 8.494 1.00 51.13 C ATOM 590 C PHE A 42 5.860 -16.203 9.245 1.00 23.54 C ATOM 591 O PHE A 42 5.358 -16.942 10.091 1.00 33.12 O ATOM 592 CB PHE A 42 5.277 -15.289 6.991 1.00 45.23 C ATOM 593 CG PHE A 42 4.446 -14.348 6.167 1.00 50.24 C ATOM 594 CD1 PHE A 42 3.330 -14.805 5.484 1.00 42.31 C ATOM 595 CD2 PHE A 42 4.780 -13.006 6.074 1.00 25.42 C ATOM 596 CE1 PHE A 42 2.563 -13.941 4.725 1.00 74.40 C ATOM 597 CE2 PHE A 42 4.017 -12.138 5.317 1.00 35.43 C ATOM 598 CZ PHE A 42 2.907 -12.607 4.641 1.00 40.42 C ATOM 0 H PHE A 42 6.011 -13.339 8.431 1.00 32.31 H new ATOM 0 HA PHE A 42 3.961 -15.397 8.687 1.00 51.13 H new ATOM 0 HB2 PHE A 42 6.332 -15.091 6.801 1.00 45.23 H new ATOM 0 HB3 PHE A 42 5.082 -16.311 6.668 1.00 45.23 H new ATOM 0 HD1 PHE A 42 3.056 -15.848 5.545 1.00 42.31 H new ATOM 0 HD2 PHE A 42 5.647 -12.634 6.600 1.00 25.42 H new ATOM 0 HE1 PHE A 42 1.695 -14.310 4.198 1.00 74.40 H new ATOM 0 HE2 PHE A 42 4.288 -11.094 5.254 1.00 35.43 H new ATOM 0 HZ PHE A 42 2.309 -11.931 4.048 1.00 40.42 H new ATOM 608 N GLY A 43 7.151 -16.239 8.929 1.00 23.33 N ATOM 609 CA GLY A 43 8.049 -17.174 9.582 1.00 3.44 C ATOM 610 C GLY A 43 8.935 -17.911 8.598 1.00 43.11 C ATOM 611 O GLY A 43 9.223 -19.095 8.776 1.00 0.34 O ATOM 0 H GLY A 43 7.591 -15.638 8.233 1.00 23.33 H new ATOM 0 HA2 GLY A 43 8.673 -16.636 10.295 1.00 3.44 H new ATOM 0 HA3 GLY A 43 7.465 -17.897 10.152 1.00 3.44 H new ATOM 615 N PHE A 44 9.368 -17.211 7.555 1.00 40.05 N ATOM 616 CA PHE A 44 10.224 -17.807 6.536 1.00 63.41 C ATOM 617 C PHE A 44 11.453 -18.454 7.169 1.00 43.52 C ATOM 618 O PHE A 44 12.513 -18.532 6.549 1.00 4.23 O ATOM 619 CB PHE A 44 10.657 -16.749 5.520 1.00 42.34 C ATOM 620 CG PHE A 44 9.574 -16.370 4.550 1.00 1.14 C ATOM 621 CD1 PHE A 44 8.850 -17.345 3.884 1.00 63.41 C ATOM 622 CD2 PHE A 44 9.280 -15.038 4.305 1.00 21.15 C ATOM 623 CE1 PHE A 44 7.853 -17.000 2.992 1.00 74.24 C ATOM 624 CE2 PHE A 44 8.283 -14.687 3.415 1.00 64.02 C ATOM 625 CZ PHE A 44 7.570 -15.669 2.756 1.00 34.21 C ATOM 0 H PHE A 44 9.140 -16.230 7.393 1.00 40.05 H new ATOM 0 HA PHE A 44 9.652 -18.580 6.023 1.00 63.41 H new ATOM 0 HB2 PHE A 44 10.984 -15.857 6.054 1.00 42.34 H new ATOM 0 HB3 PHE A 44 11.518 -17.121 4.964 1.00 42.34 H new ATOM 0 HD1 PHE A 44 9.067 -18.387 4.064 1.00 63.41 H new ATOM 0 HD2 PHE A 44 9.836 -14.266 4.815 1.00 21.15 H new ATOM 0 HE1 PHE A 44 7.296 -17.770 2.480 1.00 74.24 H new ATOM 0 HE2 PHE A 44 8.062 -13.645 3.235 1.00 64.02 H new ATOM 0 HZ PHE A 44 6.793 -15.397 2.057 1.00 34.21 H new TER 635 PHE A 44