USER MOD reduce.3.24.130724 H: found=0, std=0, add=325, rem=0, adj=5 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 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.77) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -7.58! C(o=-7.6!,f=-9.2!) USER MOD Single : A 18 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.52) USER MOD Single : A 20 SER OG : rot 180:sc= -1.42 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0221 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 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.634 -1.394 -1.547 1.00 2.12 C ATOM 4 O MET A 1 3.291 -2.013 -0.709 1.00 61.22 O ATOM 5 CB MET A 1 3.247 1.000 -1.157 1.00 53.21 C ATOM 6 CG MET A 1 4.197 0.934 -2.341 1.00 65.23 C ATOM 7 SD MET A 1 4.970 2.523 -2.702 1.00 20.43 S ATOM 8 CE MET A 1 6.194 2.036 -3.915 1.00 44.22 C ATOM 0 H1 MET A 1 0.971 0.958 0.187 1.00 0.00 H new ATOM 0 H2 MET A 1 0.528 -0.658 -0.084 1.00 0.00 H new ATOM 0 H3 MET A 1 1.942 -0.299 0.785 1.00 0.00 H new ATOM 0 HA MET A 1 1.424 0.294 -2.051 1.00 52.33 H new ATOM 0 HB2 MET A 1 2.838 2.008 -1.085 1.00 53.21 H new ATOM 0 HB3 MET A 1 3.808 0.818 -0.241 1.00 53.21 H new ATOM 0 HG2 MET A 1 4.972 0.195 -2.139 1.00 65.23 H new ATOM 0 HG3 MET A 1 3.652 0.592 -3.221 1.00 65.23 H new ATOM 0 HE1 MET A 1 6.756 2.913 -4.237 1.00 44.22 H new ATOM 0 HE2 MET A 1 6.876 1.310 -3.472 1.00 44.22 H new ATOM 0 HE3 MET A 1 5.696 1.588 -4.775 1.00 44.22 H new ATOM 18 N THR A 2 2.354 -1.883 -2.751 1.00 43.31 N ATOM 19 CA THR A 2 2.812 -3.203 -3.165 1.00 52.03 C ATOM 20 C THR A 2 4.153 -3.119 -3.884 1.00 63.55 C ATOM 21 O THR A 2 4.411 -2.176 -4.630 1.00 42.41 O ATOM 22 CB THR A 2 1.788 -3.888 -4.090 1.00 50.44 C ATOM 23 OG1 THR A 2 2.305 -5.141 -4.551 1.00 44.33 O ATOM 24 CG2 THR A 2 1.457 -3.001 -5.281 1.00 40.04 C ATOM 0 H THR A 2 1.812 -1.384 -3.457 1.00 43.31 H new ATOM 0 HA THR A 2 2.926 -3.797 -2.258 1.00 52.03 H new ATOM 0 HB THR A 2 0.875 -4.060 -3.520 1.00 50.44 H new ATOM 0 HG1 THR A 2 1.647 -5.571 -5.137 1.00 44.33 H new ATOM 0 HG21 THR A 2 0.732 -3.505 -5.920 1.00 40.04 H new ATOM 0 HG22 THR A 2 1.036 -2.060 -4.928 1.00 40.04 H new ATOM 0 HG23 THR A 2 2.365 -2.802 -5.850 1.00 40.04 H new ATOM 32 N GLY A 3 5.005 -4.114 -3.656 1.00 22.51 N ATOM 33 CA GLY A 3 6.310 -4.134 -4.290 1.00 63.14 C ATOM 34 C GLY A 3 7.440 -3.937 -3.299 1.00 31.00 C ATOM 35 O GLY A 3 8.554 -3.574 -3.680 1.00 14.45 O ATOM 0 H GLY A 3 4.814 -4.907 -3.043 1.00 22.51 H new ATOM 0 HA2 GLY A 3 6.445 -5.085 -4.806 1.00 63.14 H new ATOM 0 HA3 GLY A 3 6.355 -3.351 -5.047 1.00 63.14 H new ATOM 39 N LEU A 4 7.154 -4.175 -2.024 1.00 31.22 N ATOM 40 CA LEU A 4 8.154 -4.020 -0.973 1.00 64.25 C ATOM 41 C LEU A 4 9.201 -5.127 -1.051 1.00 31.24 C ATOM 42 O LEU A 4 10.399 -4.858 -1.127 1.00 2.13 O ATOM 43 CB LEU A 4 7.485 -4.031 0.402 1.00 55.13 C ATOM 44 CG LEU A 4 6.362 -3.014 0.609 1.00 0.55 C ATOM 45 CD1 LEU A 4 5.514 -3.393 1.814 1.00 42.43 C ATOM 46 CD2 LEU A 4 6.935 -1.614 0.778 1.00 42.13 C ATOM 0 H LEU A 4 6.238 -4.476 -1.693 1.00 31.22 H new ATOM 0 HA LEU A 4 8.653 -3.062 -1.119 1.00 64.25 H new ATOM 0 HB2 LEU A 4 7.083 -5.028 0.580 1.00 55.13 H new ATOM 0 HB3 LEU A 4 8.251 -3.856 1.158 1.00 55.13 H new ATOM 0 HG LEU A 4 5.725 -3.020 -0.275 1.00 0.55 H new ATOM 0 HD11 LEU A 4 4.720 -2.658 1.946 1.00 42.43 H new ATOM 0 HD12 LEU A 4 5.074 -4.377 1.654 1.00 42.43 H new ATOM 0 HD13 LEU A 4 6.139 -3.415 2.706 1.00 42.43 H new ATOM 0 HD21 LEU A 4 6.122 -0.903 0.924 1.00 42.13 H new ATOM 0 HD22 LEU A 4 7.595 -1.593 1.645 1.00 42.13 H new ATOM 0 HD23 LEU A 4 7.499 -1.342 -0.114 1.00 42.13 H new ATOM 58 N ALA A 5 8.739 -6.373 -1.032 1.00 60.34 N ATOM 59 CA ALA A 5 9.635 -7.521 -1.105 1.00 34.04 C ATOM 60 C ALA A 5 9.453 -8.277 -2.416 1.00 63.23 C ATOM 61 O ALA A 5 10.363 -8.966 -2.877 1.00 4.52 O ATOM 62 CB ALA A 5 9.400 -8.449 0.078 1.00 1.34 C ATOM 0 H ALA A 5 7.750 -6.613 -0.967 1.00 60.34 H new ATOM 0 HA ALA A 5 10.660 -7.153 -1.067 1.00 34.04 H new ATOM 0 HB1 ALA A 5 10.075 -9.302 0.011 1.00 1.34 H new ATOM 0 HB2 ALA A 5 9.587 -7.910 1.006 1.00 1.34 H new ATOM 0 HB3 ALA A 5 8.369 -8.801 0.065 1.00 1.34 H new ATOM 68 N GLU A 6 8.272 -8.145 -3.012 1.00 44.42 N ATOM 69 CA GLU A 6 7.973 -8.818 -4.271 1.00 13.44 C ATOM 70 C GLU A 6 9.030 -8.499 -5.324 1.00 2.55 C ATOM 71 O GLU A 6 9.518 -9.389 -6.018 1.00 71.44 O ATOM 72 CB GLU A 6 6.590 -8.404 -4.779 1.00 60.11 C ATOM 73 CG GLU A 6 5.452 -9.202 -4.165 1.00 10.43 C ATOM 74 CD GLU A 6 4.096 -8.801 -4.713 1.00 62.12 C ATOM 75 OE1 GLU A 6 4.045 -8.292 -5.852 1.00 51.43 O ATOM 76 OE2 GLU A 6 3.087 -8.997 -4.004 1.00 43.31 O ATOM 0 H GLU A 6 7.508 -7.579 -2.644 1.00 44.42 H new ATOM 0 HA GLU A 6 7.980 -9.893 -4.089 1.00 13.44 H new ATOM 0 HB2 GLU A 6 6.436 -7.346 -4.567 1.00 60.11 H new ATOM 0 HB3 GLU A 6 6.561 -8.520 -5.862 1.00 60.11 H new ATOM 0 HG2 GLU A 6 5.616 -10.263 -4.351 1.00 10.43 H new ATOM 0 HG3 GLU A 6 5.458 -9.064 -3.084 1.00 10.43 H new ATOM 83 N ALA A 7 9.379 -7.221 -5.435 1.00 51.03 N ATOM 84 CA ALA A 7 10.379 -6.784 -6.401 1.00 52.35 C ATOM 85 C ALA A 7 11.660 -7.601 -6.274 1.00 11.03 C ATOM 86 O ALA A 7 12.115 -8.213 -7.240 1.00 63.40 O ATOM 87 CB ALA A 7 10.675 -5.302 -6.221 1.00 22.44 C ATOM 0 H ALA A 7 8.984 -6.471 -4.868 1.00 51.03 H new ATOM 0 HA ALA A 7 9.976 -6.944 -7.401 1.00 52.35 H new ATOM 0 HB1 ALA A 7 11.424 -4.989 -6.949 1.00 22.44 H new ATOM 0 HB2 ALA A 7 9.761 -4.728 -6.371 1.00 22.44 H new ATOM 0 HB3 ALA A 7 11.053 -5.126 -5.214 1.00 22.44 H new ATOM 93 N ILE A 8 12.236 -7.605 -5.077 1.00 24.34 N ATOM 94 CA ILE A 8 13.465 -8.348 -4.824 1.00 11.14 C ATOM 95 C ILE A 8 13.278 -9.834 -5.110 1.00 51.12 C ATOM 96 O ILE A 8 14.180 -10.496 -5.623 1.00 12.21 O ATOM 97 CB ILE A 8 13.939 -8.173 -3.369 1.00 1.22 C ATOM 98 CG1 ILE A 8 14.195 -6.695 -3.067 1.00 50.22 C ATOM 99 CG2 ILE A 8 15.194 -8.995 -3.118 1.00 62.23 C ATOM 100 CD1 ILE A 8 13.032 -6.007 -2.388 1.00 11.53 C ATOM 0 H ILE A 8 11.872 -7.103 -4.267 1.00 24.34 H new ATOM 0 HA ILE A 8 14.222 -7.943 -5.496 1.00 11.14 H new ATOM 0 HB ILE A 8 13.155 -8.530 -2.702 1.00 1.22 H new ATOM 0 HG12 ILE A 8 15.078 -6.610 -2.433 1.00 50.22 H new ATOM 0 HG13 ILE A 8 14.420 -6.176 -3.999 1.00 50.22 H new ATOM 0 HG21 ILE A 8 15.516 -8.861 -2.085 1.00 62.23 H new ATOM 0 HG22 ILE A 8 14.981 -10.049 -3.297 1.00 62.23 H new ATOM 0 HG23 ILE A 8 15.985 -8.665 -3.791 1.00 62.23 H new ATOM 0 HD11 ILE A 8 13.284 -4.963 -2.204 1.00 11.53 H new ATOM 0 HD12 ILE A 8 12.152 -6.061 -3.030 1.00 11.53 H new ATOM 0 HD13 ILE A 8 12.820 -6.501 -1.440 1.00 11.53 H new ATOM 112 N ALA A 9 12.100 -10.352 -4.777 1.00 41.51 N ATOM 113 CA ALA A 9 11.793 -11.759 -5.002 1.00 52.51 C ATOM 114 C ALA A 9 11.511 -12.030 -6.476 1.00 14.11 C ATOM 115 O ALA A 9 11.328 -13.177 -6.881 1.00 53.25 O ATOM 116 CB ALA A 9 10.607 -12.183 -4.149 1.00 13.32 C ATOM 0 H ALA A 9 11.343 -9.818 -4.350 1.00 41.51 H new ATOM 0 HA ALA A 9 12.664 -12.347 -4.712 1.00 52.51 H new ATOM 0 HB1 ALA A 9 10.389 -13.236 -4.327 1.00 13.32 H new ATOM 0 HB2 ALA A 9 10.845 -12.035 -3.096 1.00 13.32 H new ATOM 0 HB3 ALA A 9 9.736 -11.582 -4.412 1.00 13.32 H new ATOM 122 N ASN A 10 11.476 -10.967 -7.273 1.00 1.44 N ATOM 123 CA ASN A 10 11.215 -11.091 -8.702 1.00 54.30 C ATOM 124 C ASN A 10 12.490 -11.450 -9.459 1.00 75.11 C ATOM 125 O ASN A 10 12.448 -11.792 -10.641 1.00 71.34 O ATOM 126 CB ASN A 10 10.633 -9.786 -9.250 1.00 62.04 C ATOM 127 CG ASN A 10 9.540 -10.025 -10.274 1.00 33.44 C ATOM 128 OD1 ASN A 10 9.331 -11.152 -10.723 1.00 72.31 O ATOM 129 ND2 ASN A 10 8.836 -8.963 -10.647 1.00 11.13 N ATOM 0 H ASN A 10 11.625 -10.010 -6.953 1.00 1.44 H new ATOM 0 HA ASN A 10 10.491 -11.893 -8.846 1.00 54.30 H new ATOM 0 HB2 ASN A 10 10.232 -9.196 -8.426 1.00 62.04 H new ATOM 0 HB3 ASN A 10 11.431 -9.198 -9.704 1.00 62.04 H new ATOM 0 HD21 ASN A 10 8.087 -9.063 -11.332 1.00 11.13 H new ATOM 0 HD22 ASN A 10 9.044 -8.047 -10.248 1.00 11.13 H new ATOM 136 N THR A 11 13.623 -11.371 -8.769 1.00 43.23 N ATOM 137 CA THR A 11 14.910 -11.687 -9.375 1.00 44.14 C ATOM 138 C THR A 11 15.569 -12.874 -8.681 1.00 55.31 C ATOM 139 O THR A 11 16.356 -13.601 -9.286 1.00 62.21 O ATOM 140 CB THR A 11 15.867 -10.481 -9.323 1.00 43.12 C ATOM 141 OG1 THR A 11 17.164 -10.864 -9.794 1.00 3.12 O ATOM 142 CG2 THR A 11 15.976 -9.938 -7.907 1.00 2.55 C ATOM 0 H THR A 11 13.675 -11.091 -7.790 1.00 43.23 H new ATOM 0 HA THR A 11 14.714 -11.942 -10.417 1.00 44.14 H new ATOM 0 HB THR A 11 15.465 -9.698 -9.965 1.00 43.12 H new ATOM 0 HG1 THR A 11 17.766 -10.091 -9.759 1.00 3.12 H new ATOM 0 HG21 THR A 11 16.657 -9.087 -7.895 1.00 2.55 H new ATOM 0 HG22 THR A 11 14.992 -9.620 -7.562 1.00 2.55 H new ATOM 0 HG23 THR A 11 16.357 -10.717 -7.247 1.00 2.55 H new ATOM 150 N VAL A 12 15.240 -13.065 -7.407 1.00 43.32 N ATOM 151 CA VAL A 12 15.799 -14.165 -6.631 1.00 35.24 C ATOM 152 C VAL A 12 15.537 -15.505 -7.309 1.00 55.02 C ATOM 153 O VAL A 12 16.268 -16.472 -7.097 1.00 54.13 O ATOM 154 CB VAL A 12 15.213 -14.200 -5.206 1.00 64.43 C ATOM 155 CG1 VAL A 12 15.423 -12.864 -4.510 1.00 35.53 C ATOM 156 CG2 VAL A 12 13.737 -14.565 -5.246 1.00 41.01 C ATOM 0 H VAL A 12 14.590 -12.472 -6.891 1.00 43.32 H new ATOM 0 HA VAL A 12 16.874 -13.996 -6.571 1.00 35.24 H new ATOM 0 HB VAL A 12 15.737 -14.966 -4.634 1.00 64.43 H new ATOM 0 HG11 VAL A 12 15.003 -12.907 -3.505 1.00 35.53 H new ATOM 0 HG12 VAL A 12 16.490 -12.650 -4.448 1.00 35.53 H new ATOM 0 HG13 VAL A 12 14.927 -12.076 -5.077 1.00 35.53 H new ATOM 0 HG21 VAL A 12 13.340 -14.585 -4.231 1.00 41.01 H new ATOM 0 HG22 VAL A 12 13.195 -13.824 -5.834 1.00 41.01 H new ATOM 0 HG23 VAL A 12 13.617 -15.548 -5.702 1.00 41.01 H new ATOM 166 N GLN A 13 14.489 -15.554 -8.126 1.00 0.41 N ATOM 167 CA GLN A 13 14.131 -16.776 -8.836 1.00 14.23 C ATOM 168 C GLN A 13 15.332 -17.343 -9.584 1.00 24.23 C ATOM 169 O GLN A 13 15.568 -18.551 -9.575 1.00 34.14 O ATOM 170 CB GLN A 13 12.987 -16.505 -9.815 1.00 31.22 C ATOM 171 CG GLN A 13 11.644 -16.287 -9.136 1.00 41.24 C ATOM 172 CD GLN A 13 10.565 -17.210 -9.667 1.00 22.21 C ATOM 173 OE1 GLN A 13 10.830 -18.365 -10.002 1.00 40.04 O ATOM 174 NE2 GLN A 13 9.340 -16.705 -9.745 1.00 75.34 N ATOM 0 H GLN A 13 13.874 -14.762 -8.312 1.00 0.41 H new ATOM 0 HA GLN A 13 13.804 -17.511 -8.100 1.00 14.23 H new ATOM 0 HB2 GLN A 13 13.231 -15.625 -10.411 1.00 31.22 H new ATOM 0 HB3 GLN A 13 12.904 -17.345 -10.505 1.00 31.22 H new ATOM 0 HG2 GLN A 13 11.754 -16.443 -8.063 1.00 41.24 H new ATOM 0 HG3 GLN A 13 11.333 -15.252 -9.278 1.00 41.24 H new ATOM 0 HE21 GLN A 13 9.166 -15.742 -9.456 1.00 75.34 H new ATOM 0 HE22 GLN A 13 8.573 -17.280 -10.094 1.00 75.34 H new ATOM 183 N ALA A 14 16.090 -16.463 -10.231 1.00 33.51 N ATOM 184 CA ALA A 14 17.268 -16.877 -10.983 1.00 1.24 C ATOM 185 C ALA A 14 18.549 -16.446 -10.276 1.00 51.54 C ATOM 186 O ALA A 14 19.552 -17.158 -10.299 1.00 73.43 O ATOM 187 CB ALA A 14 17.222 -16.305 -12.392 1.00 62.51 C ATOM 0 H ALA A 14 15.909 -15.459 -10.249 1.00 33.51 H new ATOM 0 HA ALA A 14 17.266 -17.965 -11.045 1.00 1.24 H new ATOM 0 HB1 ALA A 14 18.108 -16.622 -12.942 1.00 62.51 H new ATOM 0 HB2 ALA A 14 16.329 -16.666 -12.902 1.00 62.51 H new ATOM 0 HB3 ALA A 14 17.196 -15.216 -12.342 1.00 62.51 H new ATOM 193 N ALA A 15 18.508 -15.274 -9.650 1.00 61.01 N ATOM 194 CA ALA A 15 19.665 -14.749 -8.936 1.00 43.32 C ATOM 195 C ALA A 15 19.959 -15.571 -7.686 1.00 14.12 C ATOM 196 O ALA A 15 21.096 -15.979 -7.454 1.00 2.12 O ATOM 197 CB ALA A 15 19.441 -13.289 -8.570 1.00 25.01 C ATOM 0 H ALA A 15 17.686 -14.671 -9.623 1.00 61.01 H new ATOM 0 HA ALA A 15 20.530 -14.818 -9.596 1.00 43.32 H new ATOM 0 HB1 ALA A 15 20.313 -12.910 -8.037 1.00 25.01 H new ATOM 0 HB2 ALA A 15 19.288 -12.706 -9.478 1.00 25.01 H new ATOM 0 HB3 ALA A 15 18.561 -13.205 -7.932 1.00 25.01 H new ATOM 203 N GLN A 16 18.926 -15.809 -6.884 1.00 73.21 N ATOM 204 CA GLN A 16 19.074 -16.582 -5.656 1.00 45.25 C ATOM 205 C GLN A 16 20.069 -15.915 -4.711 1.00 74.52 C ATOM 206 O GLN A 16 20.849 -16.591 -4.040 1.00 53.33 O ATOM 207 CB GLN A 16 19.533 -18.005 -5.977 1.00 60.42 C ATOM 208 CG GLN A 16 18.664 -18.707 -7.008 1.00 52.24 C ATOM 209 CD GLN A 16 19.215 -20.059 -7.414 1.00 24.54 C ATOM 210 OE1 GLN A 16 19.198 -21.010 -6.631 1.00 11.33 O ATOM 211 NE2 GLN A 16 19.709 -20.154 -8.643 1.00 0.33 N ATOM 0 H GLN A 16 17.978 -15.478 -7.062 1.00 73.21 H new ATOM 0 HA GLN A 16 18.103 -16.624 -5.162 1.00 45.25 H new ATOM 0 HB2 GLN A 16 20.560 -17.973 -6.341 1.00 60.42 H new ATOM 0 HB3 GLN A 16 19.538 -18.592 -5.059 1.00 60.42 H new ATOM 0 HG2 GLN A 16 17.660 -18.835 -6.604 1.00 52.24 H new ATOM 0 HG3 GLN A 16 18.574 -18.076 -7.892 1.00 52.24 H new ATOM 0 HE21 GLN A 16 19.703 -19.341 -9.259 1.00 0.33 H new ATOM 0 HE22 GLN A 16 20.094 -21.040 -8.971 1.00 0.33 H new ATOM 220 N GLN A 17 20.034 -14.588 -4.664 1.00 44.33 N ATOM 221 CA GLN A 17 20.934 -13.831 -3.802 1.00 12.25 C ATOM 222 C GLN A 17 22.387 -14.036 -4.217 1.00 10.24 C ATOM 223 O GLN A 17 23.277 -14.132 -3.371 1.00 62.32 O ATOM 224 CB GLN A 17 20.744 -14.247 -2.342 1.00 4.33 C ATOM 225 CG GLN A 17 19.287 -14.389 -1.934 1.00 11.53 C ATOM 226 CD GLN A 17 19.124 -14.813 -0.487 1.00 44.24 C ATOM 227 OE1 GLN A 17 19.799 -14.295 0.403 1.00 1.00 O ATOM 228 NE2 GLN A 17 18.226 -15.760 -0.245 1.00 54.14 N ATOM 0 H GLN A 17 19.393 -14.015 -5.212 1.00 44.33 H new ATOM 0 HA GLN A 17 20.692 -12.773 -3.906 1.00 12.25 H new ATOM 0 HB2 GLN A 17 21.254 -15.196 -2.174 1.00 4.33 H new ATOM 0 HB3 GLN A 17 21.223 -13.510 -1.698 1.00 4.33 H new ATOM 0 HG2 GLN A 17 18.776 -13.439 -2.090 1.00 11.53 H new ATOM 0 HG3 GLN A 17 18.803 -15.121 -2.580 1.00 11.53 H new ATOM 0 HE21 GLN A 17 17.689 -16.162 -1.013 1.00 54.14 H new ATOM 0 HE22 GLN A 17 18.073 -16.086 0.709 1.00 54.14 H new ATOM 237 N HIS A 18 22.620 -14.102 -5.524 1.00 3.14 N ATOM 238 CA HIS A 18 23.966 -14.295 -6.051 1.00 64.40 C ATOM 239 C HIS A 18 24.528 -12.988 -6.601 1.00 55.32 C ATOM 240 O HIS A 18 25.407 -12.375 -5.996 1.00 1.12 O ATOM 241 CB HIS A 18 23.959 -15.362 -7.147 1.00 2.14 C ATOM 242 CG HIS A 18 25.264 -15.485 -7.871 1.00 24.42 C ATOM 243 ND1 HIS A 18 25.519 -14.863 -9.074 1.00 42.54 N ATOM 244 CD2 HIS A 18 26.392 -16.164 -7.554 1.00 11.11 C ATOM 245 CE1 HIS A 18 26.746 -15.154 -9.467 1.00 63.14 C ATOM 246 NE2 HIS A 18 27.298 -15.942 -8.562 1.00 34.00 N ATOM 0 H HIS A 18 21.895 -14.025 -6.237 1.00 3.14 H new ATOM 0 HA HIS A 18 24.605 -14.628 -5.233 1.00 64.40 H new ATOM 0 HB2 HIS A 18 23.707 -16.325 -6.703 1.00 2.14 H new ATOM 0 HB3 HIS A 18 23.174 -15.127 -7.866 1.00 2.14 H new ATOM 0 HD2 HIS A 18 26.550 -16.768 -6.673 1.00 11.11 H new ATOM 0 HE1 HIS A 18 27.218 -14.807 -10.374 1.00 63.14 H new ATOM 0 HE2 HIS A 18 28.243 -16.323 -8.605 1.00 34.00 H new ATOM 254 N ASP A 19 24.014 -12.567 -7.752 1.00 12.13 N ATOM 255 CA ASP A 19 24.463 -11.332 -8.384 1.00 3.24 C ATOM 256 C ASP A 19 24.412 -10.168 -7.399 1.00 5.13 C ATOM 257 O ASP A 19 25.244 -9.261 -7.450 1.00 74.34 O ATOM 258 CB ASP A 19 23.603 -11.018 -9.608 1.00 53.23 C ATOM 259 CG ASP A 19 22.334 -10.269 -9.248 1.00 64.41 C ATOM 260 OD1 ASP A 19 21.552 -10.789 -8.424 1.00 44.41 O ATOM 261 OD2 ASP A 19 22.124 -9.164 -9.790 1.00 21.24 O ATOM 0 H ASP A 19 23.286 -13.063 -8.266 1.00 12.13 H new ATOM 0 HA ASP A 19 25.496 -11.471 -8.702 1.00 3.24 H new ATOM 0 HB2 ASP A 19 24.184 -10.424 -10.314 1.00 53.23 H new ATOM 0 HB3 ASP A 19 23.342 -11.948 -10.113 1.00 53.23 H new ATOM 266 N SER A 20 23.431 -10.200 -6.503 1.00 51.30 N ATOM 267 CA SER A 20 23.268 -9.145 -5.509 1.00 45.13 C ATOM 268 C SER A 20 24.527 -9.001 -4.659 1.00 43.34 C ATOM 269 O SER A 20 24.919 -7.893 -4.292 1.00 13.12 O ATOM 270 CB SER A 20 22.065 -9.441 -4.612 1.00 60.14 C ATOM 271 OG SER A 20 22.434 -10.264 -3.519 1.00 10.40 O ATOM 0 H SER A 20 22.737 -10.945 -6.445 1.00 51.30 H new ATOM 0 HA SER A 20 23.096 -8.207 -6.036 1.00 45.13 H new ATOM 0 HB2 SER A 20 21.645 -8.506 -4.242 1.00 60.14 H new ATOM 0 HB3 SER A 20 21.285 -9.932 -5.194 1.00 60.14 H new ATOM 0 HG SER A 20 21.648 -10.437 -2.960 1.00 10.40 H new ATOM 277 N VAL A 21 25.158 -10.130 -4.350 1.00 54.44 N ATOM 278 CA VAL A 21 26.373 -10.131 -3.545 1.00 11.31 C ATOM 279 C VAL A 21 27.469 -9.300 -4.203 1.00 10.04 C ATOM 280 O VAL A 21 28.365 -8.789 -3.530 1.00 14.12 O ATOM 281 CB VAL A 21 26.895 -11.562 -3.318 1.00 72.15 C ATOM 282 CG1 VAL A 21 28.122 -11.547 -2.420 1.00 61.21 C ATOM 283 CG2 VAL A 21 25.802 -12.440 -2.728 1.00 11.15 C ATOM 0 H VAL A 21 24.847 -11.056 -4.645 1.00 54.44 H new ATOM 0 HA VAL A 21 26.115 -9.690 -2.582 1.00 11.31 H new ATOM 0 HB VAL A 21 27.185 -11.981 -4.281 1.00 72.15 H new ATOM 0 HG11 VAL A 21 28.476 -12.567 -2.271 1.00 61.21 H new ATOM 0 HG12 VAL A 21 28.908 -10.954 -2.888 1.00 61.21 H new ATOM 0 HG13 VAL A 21 27.862 -11.109 -1.456 1.00 61.21 H new ATOM 0 HG21 VAL A 21 26.188 -13.448 -2.574 1.00 11.15 H new ATOM 0 HG22 VAL A 21 25.478 -12.026 -1.773 1.00 11.15 H new ATOM 0 HG23 VAL A 21 24.955 -12.477 -3.413 1.00 11.15 H new ATOM 293 N LYS A 22 27.392 -9.168 -5.522 1.00 63.25 N ATOM 294 CA LYS A 22 28.376 -8.398 -6.273 1.00 44.24 C ATOM 295 C LYS A 22 27.835 -7.014 -6.620 1.00 61.51 C ATOM 296 O LYS A 22 28.594 -6.053 -6.744 1.00 45.45 O ATOM 297 CB LYS A 22 28.767 -9.140 -7.554 1.00 15.13 C ATOM 298 CG LYS A 22 29.847 -10.187 -7.345 1.00 0.24 C ATOM 299 CD LYS A 22 30.083 -11.004 -8.604 1.00 33.13 C ATOM 300 CE LYS A 22 31.037 -12.160 -8.347 1.00 70.32 C ATOM 301 NZ LYS A 22 30.884 -13.241 -9.360 1.00 42.14 N ATOM 0 H LYS A 22 26.657 -9.585 -6.094 1.00 63.25 H new ATOM 0 HA LYS A 22 29.260 -8.277 -5.646 1.00 44.24 H new ATOM 0 HB2 LYS A 22 27.882 -9.621 -7.970 1.00 15.13 H new ATOM 0 HB3 LYS A 22 29.112 -8.416 -8.292 1.00 15.13 H new ATOM 0 HG2 LYS A 22 30.775 -9.699 -7.048 1.00 0.24 H new ATOM 0 HG3 LYS A 22 29.559 -10.850 -6.529 1.00 0.24 H new ATOM 0 HD2 LYS A 22 29.132 -11.390 -8.972 1.00 33.13 H new ATOM 0 HD3 LYS A 22 30.490 -10.362 -9.385 1.00 33.13 H new ATOM 0 HE2 LYS A 22 32.063 -11.793 -8.359 1.00 70.32 H new ATOM 0 HE3 LYS A 22 30.856 -12.566 -7.352 1.00 70.32 H new ATOM 0 HZ1 LYS A 22 31.551 -14.010 -9.150 1.00 42.14 H new ATOM 0 HZ2 LYS A 22 29.912 -13.609 -9.331 1.00 42.14 H new ATOM 0 HZ3 LYS A 22 31.082 -12.860 -10.307 1.00 42.14 H new ATOM 315 N LEU A 23 26.519 -6.921 -6.773 1.00 51.25 N ATOM 316 CA LEU A 23 25.875 -5.654 -7.104 1.00 44.02 C ATOM 317 C LEU A 23 24.374 -5.723 -6.847 1.00 14.54 C ATOM 318 O LEU A 23 23.620 -6.273 -7.649 1.00 3.34 O ATOM 319 CB LEU A 23 26.137 -5.293 -8.567 1.00 45.04 C ATOM 320 CG LEU A 23 26.153 -3.800 -8.898 1.00 24.11 C ATOM 321 CD1 LEU A 23 24.803 -3.171 -8.591 1.00 4.15 C ATOM 322 CD2 LEU A 23 27.260 -3.095 -8.128 1.00 23.15 C ATOM 0 H LEU A 23 25.877 -7.707 -6.673 1.00 51.25 H new ATOM 0 HA LEU A 23 26.300 -4.881 -6.464 1.00 44.02 H new ATOM 0 HB2 LEU A 23 27.096 -5.720 -8.859 1.00 45.04 H new ATOM 0 HB3 LEU A 23 25.375 -5.773 -9.181 1.00 45.04 H new ATOM 0 HG LEU A 23 26.350 -3.686 -9.964 1.00 24.11 H new ATOM 0 HD11 LEU A 23 24.833 -2.109 -8.833 1.00 4.15 H new ATOM 0 HD12 LEU A 23 24.031 -3.657 -9.188 1.00 4.15 H new ATOM 0 HD13 LEU A 23 24.576 -3.296 -7.532 1.00 4.15 H new ATOM 0 HD21 LEU A 23 27.257 -2.034 -8.376 1.00 23.15 H new ATOM 0 HD22 LEU A 23 27.094 -3.218 -7.058 1.00 23.15 H new ATOM 0 HD23 LEU A 23 28.223 -3.527 -8.398 1.00 23.15 H new ATOM 334 N GLY A 24 23.945 -5.158 -5.722 1.00 13.51 N ATOM 335 CA GLY A 24 22.534 -5.164 -5.380 1.00 4.44 C ATOM 336 C GLY A 24 22.279 -4.685 -3.964 1.00 63.21 C ATOM 337 O GLY A 24 21.882 -5.466 -3.098 1.00 55.44 O ATOM 0 H GLY A 24 24.549 -4.697 -5.042 1.00 13.51 H new ATOM 0 HA2 GLY A 24 21.991 -4.528 -6.079 1.00 4.44 H new ATOM 0 HA3 GLY A 24 22.139 -6.174 -5.495 1.00 4.44 H new ATOM 341 N THR A 25 22.510 -3.398 -3.725 1.00 51.35 N ATOM 342 CA THR A 25 22.305 -2.817 -2.405 1.00 4.34 C ATOM 343 C THR A 25 20.835 -2.860 -2.007 1.00 15.42 C ATOM 344 O THR A 25 20.503 -2.903 -0.822 1.00 41.11 O ATOM 345 CB THR A 25 22.798 -1.358 -2.350 1.00 71.22 C ATOM 346 OG1 THR A 25 22.575 -0.814 -1.044 1.00 71.25 O ATOM 347 CG2 THR A 25 22.083 -0.507 -3.389 1.00 5.43 C ATOM 0 H THR A 25 22.839 -2.738 -4.429 1.00 51.35 H new ATOM 0 HA THR A 25 22.886 -3.416 -1.703 1.00 4.34 H new ATOM 0 HB THR A 25 23.866 -1.349 -2.568 1.00 71.22 H new ATOM 0 HG1 THR A 25 22.892 0.113 -1.017 1.00 71.25 H new ATOM 0 HG21 THR A 25 22.447 0.519 -3.332 1.00 5.43 H new ATOM 0 HG22 THR A 25 22.279 -0.907 -4.384 1.00 5.43 H new ATOM 0 HG23 THR A 25 21.010 -0.523 -3.196 1.00 5.43 H new ATOM 355 N SER A 26 19.956 -2.848 -3.004 1.00 51.11 N ATOM 356 CA SER A 26 18.519 -2.882 -2.757 1.00 61.44 C ATOM 357 C SER A 26 17.985 -4.308 -2.854 1.00 64.41 C ATOM 358 O SER A 26 16.808 -4.524 -3.144 1.00 42.44 O ATOM 359 CB SER A 26 17.787 -1.983 -3.755 1.00 62.05 C ATOM 360 OG SER A 26 18.334 -2.114 -5.056 1.00 40.12 O ATOM 0 H SER A 26 20.214 -2.815 -3.990 1.00 51.11 H new ATOM 0 HA SER A 26 18.340 -2.513 -1.747 1.00 61.44 H new ATOM 0 HB2 SER A 26 16.728 -2.242 -3.774 1.00 62.05 H new ATOM 0 HB3 SER A 26 17.855 -0.944 -3.431 1.00 62.05 H new ATOM 0 HG SER A 26 17.848 -1.531 -5.676 1.00 40.12 H new ATOM 366 N ILE A 27 18.860 -5.278 -2.609 1.00 33.41 N ATOM 367 CA ILE A 27 18.477 -6.684 -2.667 1.00 40.31 C ATOM 368 C ILE A 27 19.116 -7.475 -1.531 1.00 11.23 C ATOM 369 O ILE A 27 18.468 -8.310 -0.900 1.00 73.45 O ATOM 370 CB ILE A 27 18.878 -7.321 -4.010 1.00 62.24 C ATOM 371 CG1 ILE A 27 18.322 -6.500 -5.176 1.00 25.13 C ATOM 372 CG2 ILE A 27 18.383 -8.758 -4.084 1.00 12.22 C ATOM 373 CD1 ILE A 27 19.255 -5.404 -5.642 1.00 21.14 C ATOM 0 H ILE A 27 19.838 -5.116 -2.369 1.00 33.41 H new ATOM 0 HA ILE A 27 17.392 -6.720 -2.566 1.00 40.31 H new ATOM 0 HB ILE A 27 19.966 -7.328 -4.081 1.00 62.24 H new ATOM 0 HG12 ILE A 27 18.112 -7.167 -6.012 1.00 25.13 H new ATOM 0 HG13 ILE A 27 17.373 -6.055 -4.877 1.00 25.13 H new ATOM 0 HG21 ILE A 27 18.674 -9.194 -5.039 1.00 12.22 H new ATOM 0 HG22 ILE A 27 18.823 -9.337 -3.272 1.00 12.22 H new ATOM 0 HG23 ILE A 27 17.297 -8.774 -3.994 1.00 12.22 H new ATOM 0 HD11 ILE A 27 18.796 -4.863 -6.470 1.00 21.14 H new ATOM 0 HD12 ILE A 27 19.446 -4.714 -4.820 1.00 21.14 H new ATOM 0 HD13 ILE A 27 20.196 -5.843 -5.973 1.00 21.14 H new ATOM 385 N VAL A 28 20.392 -7.204 -1.273 1.00 35.43 N ATOM 386 CA VAL A 28 21.118 -7.889 -0.210 1.00 3.41 C ATOM 387 C VAL A 28 20.605 -7.471 1.164 1.00 43.04 C ATOM 388 O VAL A 28 20.744 -8.208 2.140 1.00 60.11 O ATOM 389 CB VAL A 28 22.630 -7.603 -0.290 1.00 32.41 C ATOM 390 CG1 VAL A 28 23.180 -8.014 -1.647 1.00 53.34 C ATOM 391 CG2 VAL A 28 22.909 -6.134 -0.014 1.00 44.32 C ATOM 0 H VAL A 28 20.944 -6.516 -1.785 1.00 35.43 H new ATOM 0 HA VAL A 28 20.949 -8.957 -0.348 1.00 3.41 H new ATOM 0 HB VAL A 28 23.135 -8.194 0.474 1.00 32.41 H new ATOM 0 HG11 VAL A 28 24.249 -7.805 -1.685 1.00 53.34 H new ATOM 0 HG12 VAL A 28 23.014 -9.080 -1.799 1.00 53.34 H new ATOM 0 HG13 VAL A 28 22.672 -7.452 -2.431 1.00 53.34 H new ATOM 0 HG21 VAL A 28 23.982 -5.950 -0.075 1.00 44.32 H new ATOM 0 HG22 VAL A 28 22.393 -5.521 -0.753 1.00 44.32 H new ATOM 0 HG23 VAL A 28 22.552 -5.877 0.984 1.00 44.32 H new ATOM 401 N ASP A 29 20.012 -6.284 1.232 1.00 72.55 N ATOM 402 CA ASP A 29 19.476 -5.768 2.486 1.00 71.42 C ATOM 403 C ASP A 29 17.963 -5.954 2.547 1.00 11.34 C ATOM 404 O ASP A 29 17.264 -5.205 3.231 1.00 75.24 O ATOM 405 CB ASP A 29 19.828 -4.288 2.645 1.00 73.42 C ATOM 406 CG ASP A 29 21.318 -4.033 2.537 1.00 42.21 C ATOM 407 OD1 ASP A 29 21.701 -2.913 2.139 1.00 41.44 O ATOM 408 OD2 ASP A 29 22.102 -4.953 2.851 1.00 13.34 O ATOM 0 H ASP A 29 19.890 -5.661 0.433 1.00 72.55 H new ATOM 0 HA ASP A 29 19.926 -6.330 3.304 1.00 71.42 H new ATOM 0 HB2 ASP A 29 19.307 -3.710 1.882 1.00 73.42 H new ATOM 0 HB3 ASP A 29 19.471 -3.934 3.612 1.00 73.42 H new ATOM 413 N ILE A 30 17.465 -6.954 1.829 1.00 71.32 N ATOM 414 CA ILE A 30 16.035 -7.237 1.802 1.00 23.32 C ATOM 415 C ILE A 30 15.757 -8.695 2.155 1.00 53.45 C ATOM 416 O ILE A 30 14.788 -9.002 2.849 1.00 21.42 O ATOM 417 CB ILE A 30 15.426 -6.929 0.422 1.00 70.23 C ATOM 418 CG1 ILE A 30 15.659 -5.463 0.053 1.00 45.33 C ATOM 419 CG2 ILE A 30 13.939 -7.252 0.415 1.00 64.52 C ATOM 420 CD1 ILE A 30 14.990 -4.488 0.996 1.00 74.30 C ATOM 0 H ILE A 30 18.030 -7.582 1.258 1.00 71.32 H new ATOM 0 HA ILE A 30 15.571 -6.590 2.547 1.00 23.32 H new ATOM 0 HB ILE A 30 15.918 -7.554 -0.323 1.00 70.23 H new ATOM 0 HG12 ILE A 30 16.731 -5.266 0.040 1.00 45.33 H new ATOM 0 HG13 ILE A 30 15.291 -5.288 -0.958 1.00 45.33 H new ATOM 0 HG21 ILE A 30 13.523 -7.029 -0.567 1.00 64.52 H new ATOM 0 HG22 ILE A 30 13.795 -8.309 0.638 1.00 64.52 H new ATOM 0 HG23 ILE A 30 13.432 -6.650 1.169 1.00 64.52 H new ATOM 0 HD11 ILE A 30 15.198 -3.468 0.673 1.00 74.30 H new ATOM 0 HD12 ILE A 30 13.913 -4.658 0.991 1.00 74.30 H new ATOM 0 HD13 ILE A 30 15.376 -4.635 2.005 1.00 74.30 H new ATOM 432 N VAL A 31 16.614 -9.589 1.672 1.00 11.30 N ATOM 433 CA VAL A 31 16.462 -11.014 1.938 1.00 24.12 C ATOM 434 C VAL A 31 16.937 -11.364 3.344 1.00 64.21 C ATOM 435 O VAL A 31 16.501 -12.355 3.928 1.00 25.55 O ATOM 436 CB VAL A 31 17.245 -11.862 0.918 1.00 50.12 C ATOM 437 CG1 VAL A 31 18.742 -11.657 1.090 1.00 64.23 C ATOM 438 CG2 VAL A 31 16.880 -13.332 1.056 1.00 22.31 C ATOM 0 H VAL A 31 17.421 -9.351 1.095 1.00 11.30 H new ATOM 0 HA VAL A 31 15.400 -11.241 1.849 1.00 24.12 H new ATOM 0 HB VAL A 31 16.971 -11.536 -0.086 1.00 50.12 H new ATOM 0 HG11 VAL A 31 19.279 -12.264 0.361 1.00 64.23 H new ATOM 0 HG12 VAL A 31 18.985 -10.606 0.936 1.00 64.23 H new ATOM 0 HG13 VAL A 31 19.037 -11.954 2.096 1.00 64.23 H new ATOM 0 HG21 VAL A 31 17.442 -13.916 0.328 1.00 22.31 H new ATOM 0 HG22 VAL A 31 17.123 -13.674 2.062 1.00 22.31 H new ATOM 0 HG23 VAL A 31 15.812 -13.460 0.877 1.00 22.31 H new ATOM 448 N ALA A 32 17.834 -10.543 3.881 1.00 33.24 N ATOM 449 CA ALA A 32 18.366 -10.764 5.220 1.00 64.40 C ATOM 450 C ALA A 32 17.900 -9.678 6.183 1.00 50.21 C ATOM 451 O ALA A 32 17.567 -9.957 7.334 1.00 55.33 O ATOM 452 CB ALA A 32 19.886 -10.820 5.181 1.00 63.45 C ATOM 0 H ALA A 32 18.207 -9.719 3.409 1.00 33.24 H new ATOM 0 HA ALA A 32 17.987 -11.720 5.581 1.00 64.40 H new ATOM 0 HB1 ALA A 32 20.270 -10.985 6.188 1.00 63.45 H new ATOM 0 HB2 ALA A 32 20.203 -11.637 4.533 1.00 63.45 H new ATOM 0 HB3 ALA A 32 20.275 -9.878 4.795 1.00 63.45 H new ATOM 458 N ASN A 33 17.880 -8.438 5.704 1.00 20.11 N ATOM 459 CA ASN A 33 17.456 -7.309 6.524 1.00 55.02 C ATOM 460 C ASN A 33 15.951 -7.085 6.404 1.00 42.44 C ATOM 461 O ASN A 33 15.216 -7.194 7.384 1.00 4.02 O ATOM 462 CB ASN A 33 18.206 -6.041 6.111 1.00 61.33 C ATOM 463 CG ASN A 33 18.847 -5.338 7.292 1.00 54.13 C ATOM 464 OD1 ASN A 33 20.067 -5.353 7.450 1.00 44.43 O ATOM 465 ND2 ASN A 33 18.023 -4.717 8.128 1.00 31.32 N ATOM 0 H ASN A 33 18.152 -8.190 4.753 1.00 20.11 H new ATOM 0 HA ASN A 33 17.690 -7.539 7.563 1.00 55.02 H new ATOM 0 HB2 ASN A 33 18.976 -6.298 5.383 1.00 61.33 H new ATOM 0 HB3 ASN A 33 17.515 -5.358 5.616 1.00 61.33 H new ATOM 0 HD21 ASN A 33 18.396 -4.226 8.941 1.00 31.32 H new ATOM 0 HD22 ASN A 33 17.017 -4.731 7.957 1.00 31.32 H new ATOM 472 N GLY A 34 15.500 -6.770 5.193 1.00 71.50 N ATOM 473 CA GLY A 34 14.086 -6.536 4.966 1.00 32.22 C ATOM 474 C GLY A 34 13.224 -7.693 5.433 1.00 3.45 C ATOM 475 O GLY A 34 12.063 -7.504 5.796 1.00 21.25 O ATOM 0 H GLY A 34 16.089 -6.673 4.366 1.00 71.50 H new ATOM 0 HA2 GLY A 34 13.783 -5.628 5.487 1.00 32.22 H new ATOM 0 HA3 GLY A 34 13.915 -6.366 3.903 1.00 32.22 H new ATOM 479 N VAL A 35 13.793 -8.894 5.423 1.00 31.13 N ATOM 480 CA VAL A 35 13.069 -10.086 5.849 1.00 60.03 C ATOM 481 C VAL A 35 12.691 -10.002 7.323 1.00 22.53 C ATOM 482 O VAL A 35 11.769 -10.678 7.778 1.00 53.32 O ATOM 483 CB VAL A 35 13.901 -11.361 5.615 1.00 73.24 C ATOM 484 CG1 VAL A 35 15.056 -11.434 6.602 1.00 75.41 C ATOM 485 CG2 VAL A 35 13.020 -12.597 5.719 1.00 64.44 C ATOM 0 H VAL A 35 14.753 -9.067 5.125 1.00 31.13 H new ATOM 0 HA VAL A 35 12.162 -10.138 5.247 1.00 60.03 H new ATOM 0 HB VAL A 35 14.318 -11.323 4.609 1.00 73.24 H new ATOM 0 HG11 VAL A 35 15.632 -12.341 6.421 1.00 75.41 H new ATOM 0 HG12 VAL A 35 15.700 -10.564 6.474 1.00 75.41 H new ATOM 0 HG13 VAL A 35 14.665 -11.449 7.619 1.00 75.41 H new ATOM 0 HG21 VAL A 35 13.623 -13.489 5.551 1.00 64.44 H new ATOM 0 HG22 VAL A 35 12.573 -12.643 6.712 1.00 64.44 H new ATOM 0 HG23 VAL A 35 12.231 -12.546 4.968 1.00 64.44 H new ATOM 495 N GLY A 36 13.411 -9.168 8.067 1.00 42.10 N ATOM 496 CA GLY A 36 13.136 -9.011 9.483 1.00 2.42 C ATOM 497 C GLY A 36 11.850 -8.252 9.743 1.00 1.33 C ATOM 498 O GLY A 36 11.403 -8.146 10.886 1.00 1.12 O ATOM 0 H GLY A 36 14.180 -8.598 7.714 1.00 42.10 H new ATOM 0 HA2 GLY A 36 13.075 -9.994 9.949 1.00 2.42 H new ATOM 0 HA3 GLY A 36 13.966 -8.486 9.955 1.00 2.42 H new ATOM 502 N LEU A 37 11.254 -7.720 8.682 1.00 73.52 N ATOM 503 CA LEU A 37 10.011 -6.965 8.800 1.00 21.34 C ATOM 504 C LEU A 37 8.801 -7.879 8.637 1.00 32.24 C ATOM 505 O LEU A 37 7.737 -7.626 9.205 1.00 63.10 O ATOM 506 CB LEU A 37 9.967 -5.850 7.754 1.00 22.22 C ATOM 507 CG LEU A 37 11.043 -4.771 7.878 1.00 43.01 C ATOM 508 CD1 LEU A 37 10.852 -3.702 6.813 1.00 11.25 C ATOM 509 CD2 LEU A 37 11.021 -4.152 9.268 1.00 32.30 C ATOM 0 H LEU A 37 11.611 -7.797 7.730 1.00 73.52 H new ATOM 0 HA LEU A 37 9.977 -6.522 9.795 1.00 21.34 H new ATOM 0 HB2 LEU A 37 10.047 -6.303 6.766 1.00 22.22 H new ATOM 0 HB3 LEU A 37 8.990 -5.369 7.806 1.00 22.22 H new ATOM 0 HG LEU A 37 12.017 -5.237 7.726 1.00 43.01 H new ATOM 0 HD11 LEU A 37 11.627 -2.942 6.917 1.00 11.25 H new ATOM 0 HD12 LEU A 37 10.920 -4.157 5.825 1.00 11.25 H new ATOM 0 HD13 LEU A 37 9.872 -3.240 6.933 1.00 11.25 H new ATOM 0 HD21 LEU A 37 11.794 -3.386 9.338 1.00 32.30 H new ATOM 0 HD22 LEU A 37 10.046 -3.701 9.450 1.00 32.30 H new ATOM 0 HD23 LEU A 37 11.208 -4.925 10.013 1.00 32.30 H new ATOM 521 N LEU A 38 8.970 -8.943 7.861 1.00 61.45 N ATOM 522 CA LEU A 38 7.892 -9.897 7.624 1.00 21.54 C ATOM 523 C LEU A 38 8.192 -11.235 8.293 1.00 2.15 C ATOM 524 O LEU A 38 7.384 -12.161 8.242 1.00 25.44 O ATOM 525 CB LEU A 38 7.684 -10.101 6.123 1.00 44.25 C ATOM 526 CG LEU A 38 8.350 -11.336 5.514 1.00 12.21 C ATOM 527 CD1 LEU A 38 7.983 -11.470 4.044 1.00 23.13 C ATOM 528 CD2 LEU A 38 9.860 -11.266 5.685 1.00 64.31 C ATOM 0 H LEU A 38 9.844 -9.167 7.385 1.00 61.45 H new ATOM 0 HA LEU A 38 6.979 -9.490 8.059 1.00 21.54 H new ATOM 0 HB2 LEU A 38 6.613 -10.158 5.930 1.00 44.25 H new ATOM 0 HB3 LEU A 38 8.055 -9.219 5.602 1.00 44.25 H new ATOM 0 HG LEU A 38 7.986 -12.219 6.040 1.00 12.21 H new ATOM 0 HD11 LEU A 38 8.466 -12.354 3.628 1.00 23.13 H new ATOM 0 HD12 LEU A 38 6.902 -11.567 3.946 1.00 23.13 H new ATOM 0 HD13 LEU A 38 8.318 -10.585 3.503 1.00 23.13 H new ATOM 0 HD21 LEU A 38 10.317 -12.153 5.246 1.00 64.31 H new ATOM 0 HD22 LEU A 38 10.242 -10.376 5.186 1.00 64.31 H new ATOM 0 HD23 LEU A 38 10.104 -11.220 6.746 1.00 64.31 H new ATOM 540 N GLY A 39 9.360 -11.327 8.923 1.00 32.12 N ATOM 541 CA GLY A 39 9.745 -12.554 9.596 1.00 60.15 C ATOM 542 C GLY A 39 8.872 -12.856 10.797 1.00 12.43 C ATOM 543 O GLY A 39 8.752 -14.008 11.214 1.00 11.22 O ATOM 0 H GLY A 39 10.046 -10.574 8.979 1.00 32.12 H new ATOM 0 HA2 GLY A 39 9.688 -13.384 8.892 1.00 60.15 H new ATOM 0 HA3 GLY A 39 10.784 -12.478 9.916 1.00 60.15 H new ATOM 547 N LYS A 40 8.261 -11.817 11.358 1.00 73.42 N ATOM 548 CA LYS A 40 7.394 -11.975 12.520 1.00 71.13 C ATOM 549 C LYS A 40 5.952 -12.229 12.092 1.00 31.22 C ATOM 550 O LYS A 40 5.177 -12.847 12.823 1.00 34.02 O ATOM 551 CB LYS A 40 7.462 -10.729 13.406 1.00 63.14 C ATOM 552 CG LYS A 40 8.798 -10.554 14.106 1.00 4.34 C ATOM 553 CD LYS A 40 8.694 -9.584 15.272 1.00 70.14 C ATOM 554 CE LYS A 40 8.571 -8.146 14.791 1.00 73.31 C ATOM 555 NZ LYS A 40 8.537 -7.183 15.926 1.00 43.10 N ATOM 0 H LYS A 40 8.350 -10.857 11.026 1.00 73.42 H new ATOM 0 HA LYS A 40 7.743 -12.837 13.088 1.00 71.13 H new ATOM 0 HB2 LYS A 40 7.263 -9.848 12.796 1.00 63.14 H new ATOM 0 HB3 LYS A 40 6.673 -10.783 14.156 1.00 63.14 H new ATOM 0 HG2 LYS A 40 9.151 -11.521 14.466 1.00 4.34 H new ATOM 0 HG3 LYS A 40 9.538 -10.190 13.394 1.00 4.34 H new ATOM 0 HD2 LYS A 40 7.829 -9.840 15.883 1.00 70.14 H new ATOM 0 HD3 LYS A 40 9.574 -9.682 15.908 1.00 70.14 H new ATOM 0 HE2 LYS A 40 9.411 -7.908 14.138 1.00 73.31 H new ATOM 0 HE3 LYS A 40 7.664 -8.038 14.196 1.00 73.31 H new ATOM 0 HZ1 LYS A 40 8.453 -6.214 15.557 1.00 43.10 H new ATOM 0 HZ2 LYS A 40 7.721 -7.394 16.536 1.00 43.10 H new ATOM 0 HZ3 LYS A 40 9.413 -7.268 16.479 1.00 43.10 H new ATOM 569 N LEU A 41 5.599 -11.751 10.904 1.00 12.33 N ATOM 570 CA LEU A 41 4.250 -11.928 10.378 1.00 14.55 C ATOM 571 C LEU A 41 4.047 -13.350 9.865 1.00 3.51 C ATOM 572 O LEU A 41 2.982 -13.940 10.045 1.00 22.23 O ATOM 573 CB LEU A 41 3.984 -10.925 9.255 1.00 55.45 C ATOM 574 CG LEU A 41 3.469 -9.551 9.688 1.00 21.51 C ATOM 575 CD1 LEU A 41 3.903 -8.482 8.698 1.00 55.14 C ATOM 576 CD2 LEU A 41 1.954 -9.569 9.827 1.00 32.35 C ATOM 0 H LEU A 41 6.228 -11.238 10.287 1.00 12.33 H new ATOM 0 HA LEU A 41 3.544 -11.751 11.189 1.00 14.55 H new ATOM 0 HB2 LEU A 41 4.908 -10.784 8.695 1.00 55.45 H new ATOM 0 HB3 LEU A 41 3.259 -11.363 8.569 1.00 55.45 H new ATOM 0 HG LEU A 41 3.900 -9.312 10.660 1.00 21.51 H new ATOM 0 HD11 LEU A 41 3.527 -7.512 9.023 1.00 55.14 H new ATOM 0 HD12 LEU A 41 4.991 -8.452 8.649 1.00 55.14 H new ATOM 0 HD13 LEU A 41 3.502 -8.715 7.712 1.00 55.14 H new ATOM 0 HD21 LEU A 41 1.605 -8.584 10.136 1.00 32.35 H new ATOM 0 HD22 LEU A 41 1.504 -9.830 8.869 1.00 32.35 H new ATOM 0 HD23 LEU A 41 1.666 -10.307 10.576 1.00 32.35 H new ATOM 588 N PHE A 42 5.077 -13.895 9.226 1.00 4.44 N ATOM 589 CA PHE A 42 5.013 -15.248 8.688 1.00 64.22 C ATOM 590 C PHE A 42 5.899 -16.196 9.492 1.00 41.24 C ATOM 591 O PHE A 42 5.406 -17.042 10.236 1.00 2.25 O ATOM 592 CB PHE A 42 5.441 -15.256 7.219 1.00 54.04 C ATOM 593 CG PHE A 42 4.545 -14.441 6.330 1.00 44.33 C ATOM 594 CD1 PHE A 42 3.621 -15.057 5.502 1.00 65.33 C ATOM 595 CD2 PHE A 42 4.628 -13.058 6.322 1.00 45.41 C ATOM 596 CE1 PHE A 42 2.796 -14.310 4.683 1.00 71.02 C ATOM 597 CE2 PHE A 42 3.805 -12.305 5.506 1.00 63.24 C ATOM 598 CZ PHE A 42 2.889 -12.932 4.684 1.00 31.11 C ATOM 0 H PHE A 42 5.966 -13.420 9.068 1.00 4.44 H new ATOM 0 HA PHE A 42 3.982 -15.593 8.761 1.00 64.22 H new ATOM 0 HB2 PHE A 42 6.459 -14.875 7.143 1.00 54.04 H new ATOM 0 HB3 PHE A 42 5.458 -16.285 6.859 1.00 54.04 H new ATOM 0 HD1 PHE A 42 3.544 -16.134 5.496 1.00 65.33 H new ATOM 0 HD2 PHE A 42 5.344 -12.563 6.961 1.00 45.41 H new ATOM 0 HE1 PHE A 42 2.079 -14.803 4.043 1.00 71.02 H new ATOM 0 HE2 PHE A 42 3.878 -11.227 5.511 1.00 63.24 H new ATOM 0 HZ PHE A 42 2.247 -12.346 4.043 1.00 31.11 H new ATOM 608 N GLY A 43 7.211 -16.047 9.334 1.00 70.11 N ATOM 609 CA GLY A 43 8.145 -16.896 10.050 1.00 41.00 C ATOM 610 C GLY A 43 9.195 -17.500 9.139 1.00 44.21 C ATOM 611 O GLY A 43 9.031 -18.615 8.644 1.00 63.02 O ATOM 0 H GLY A 43 7.643 -15.354 8.723 1.00 70.11 H new ATOM 0 HA2 GLY A 43 8.636 -16.314 10.830 1.00 41.00 H new ATOM 0 HA3 GLY A 43 7.596 -17.696 10.547 1.00 41.00 H new ATOM 615 N PHE A 44 10.277 -16.761 8.915 1.00 25.52 N ATOM 616 CA PHE A 44 11.358 -17.230 8.055 1.00 51.41 C ATOM 617 C PHE A 44 12.579 -17.623 8.881 1.00 62.01 C ATOM 618 O PHE A 44 12.796 -17.100 9.973 1.00 2.12 O ATOM 619 CB PHE A 44 11.739 -16.146 7.044 1.00 23.21 C ATOM 620 CG PHE A 44 10.939 -16.202 5.774 1.00 31.44 C ATOM 621 CD1 PHE A 44 10.890 -17.364 5.021 1.00 22.54 C ATOM 622 CD2 PHE A 44 10.235 -15.093 5.334 1.00 45.04 C ATOM 623 CE1 PHE A 44 10.154 -17.420 3.853 1.00 42.33 C ATOM 624 CE2 PHE A 44 9.498 -15.142 4.166 1.00 35.51 C ATOM 625 CZ PHE A 44 9.458 -16.307 3.424 1.00 12.21 C ATOM 0 H PHE A 44 10.429 -15.836 9.317 1.00 25.52 H new ATOM 0 HA PHE A 44 11.006 -18.111 7.518 1.00 51.41 H new ATOM 0 HB2 PHE A 44 11.605 -15.167 7.505 1.00 23.21 H new ATOM 0 HB3 PHE A 44 12.797 -16.242 6.802 1.00 23.21 H new ATOM 0 HD1 PHE A 44 11.434 -18.237 5.351 1.00 22.54 H new ATOM 0 HD2 PHE A 44 10.262 -14.180 5.910 1.00 45.04 H new ATOM 0 HE1 PHE A 44 10.123 -18.333 3.276 1.00 42.33 H new ATOM 0 HE2 PHE A 44 8.954 -14.270 3.833 1.00 35.51 H new ATOM 0 HZ PHE A 44 8.884 -16.347 2.510 1.00 12.21 H new TER 635 PHE A 44