USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 392 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 34 GLN :FLIP amide:sc= -0.935 F(o=-2.3!,f=-0.94) USER MOD Set 1.2: X 38 TYR OH : rot 165:sc=-0.00617 USER MOD Single : X 1 GLY N :NH3+ -117:sc= 0.0974 (180deg=0) USER MOD Single : X 2 SER OG : rot 140:sc= -0.886 USER MOD Single : X 13 SER OG : rot -161:sc= 0.578 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 16 GLN :FLIP amide:sc= -0.854 F(o=-5.2!,f=-0.85) USER MOD Single : X 17 MET CE :methyl 157:sc= -2.94! (180deg=-3.64!) USER MOD Single : X 19 SER OG : rot 73:sc= 1.08 USER MOD Single : X 20 MET CE :methyl -148:sc= -0.454 (180deg=-1.62!) USER MOD Single : X 23 SER OG : rot -11:sc= 0.893 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 35 THR OG1 : rot 180:sc= 0 USER MOD Single : X 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 37 ASN : amide:sc= -0.781 X(o=-0.78,f=-0.6) USER MOD Single : X 46 THR OG1 : rot 127:sc= 2.08 USER MOD Single : X 48 GLN :FLIP amide:sc= -0.816 F(o=-4.7!,f=-0.82) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot -30:sc= 1.08 USER MOD Single : X 51 LYS NZ :NH3+ 140:sc= -0.95 (180deg=-2.73!) USER MOD Single : X 52 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 18.963 5.935 2.416 1.00 0.00 N ATOM 2 CA GLY X 1 20.327 5.454 2.737 1.00 0.00 C ATOM 3 C GLY X 1 21.328 5.840 1.671 1.00 0.00 C ATOM 4 O GLY X 1 20.951 6.268 0.579 1.00 0.00 O ATOM 0 H1 GLY X 1 18.654 6.613 3.141 1.00 0.00 H new ATOM 0 H2 GLY X 1 18.969 6.401 1.486 1.00 0.00 H new ATOM 0 H3 GLY X 1 18.307 5.129 2.394 1.00 0.00 H new ATOM 0 HA2 GLY X 1 20.641 5.867 3.696 1.00 0.00 H new ATOM 0 HA3 GLY X 1 20.313 4.370 2.846 1.00 0.00 H new ATOM 10 N SER X 2 22.604 5.723 1.996 1.00 0.00 N ATOM 11 CA SER X 2 23.667 6.100 1.077 1.00 0.00 C ATOM 12 C SER X 2 24.084 4.911 0.220 1.00 0.00 C ATOM 13 O SER X 2 24.198 3.794 0.722 1.00 0.00 O ATOM 14 CB SER X 2 24.870 6.624 1.865 1.00 0.00 C ATOM 15 OG SER X 2 25.905 7.061 0.998 1.00 0.00 O ATOM 0 H SER X 2 22.931 5.368 2.894 1.00 0.00 H new ATOM 0 HA SER X 2 23.296 6.886 0.419 1.00 0.00 H new ATOM 0 HB2 SER X 2 24.557 7.449 2.505 1.00 0.00 H new ATOM 0 HB3 SER X 2 25.248 5.839 2.519 1.00 0.00 H new ATOM 0 HG SER X 2 26.304 7.883 1.353 1.00 0.00 H new ATOM 21 N PRO X 3 24.360 5.143 -1.077 1.00 0.00 N ATOM 22 CA PRO X 3 24.823 4.090 -1.989 1.00 0.00 C ATOM 23 C PRO X 3 26.182 3.538 -1.565 1.00 0.00 C ATOM 24 O PRO X 3 26.993 4.260 -0.981 1.00 0.00 O ATOM 25 CB PRO X 3 24.935 4.797 -3.349 1.00 0.00 C ATOM 26 CG PRO X 3 24.182 6.078 -3.196 1.00 0.00 C ATOM 27 CD PRO X 3 24.289 6.452 -1.744 1.00 0.00 C ATOM 0 HA PRO X 3 24.145 3.236 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO X 3 25.977 4.983 -3.610 1.00 0.00 H new ATOM 0 HB3 PRO X 3 24.511 4.185 -4.145 1.00 0.00 H new ATOM 0 HG2 PRO X 3 24.604 6.857 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO X 3 23.140 5.956 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO X 3 25.174 7.056 -1.546 1.00 0.00 H new ATOM 0 HD3 PRO X 3 23.427 7.030 -1.410 1.00 0.00 H new ATOM 35 N PRO X 4 26.424 2.233 -1.792 1.00 0.00 N ATOM 36 CA PRO X 4 27.663 1.559 -1.361 1.00 0.00 C ATOM 37 C PRO X 4 28.901 1.968 -2.162 1.00 0.00 C ATOM 38 O PRO X 4 29.851 1.195 -2.282 1.00 0.00 O ATOM 39 CB PRO X 4 27.367 0.068 -1.583 1.00 0.00 C ATOM 40 CG PRO X 4 25.892 -0.021 -1.805 1.00 0.00 C ATOM 41 CD PRO X 4 25.486 1.288 -2.414 1.00 0.00 C ATOM 0 HA PRO X 4 27.903 1.823 -0.331 1.00 0.00 H new ATOM 0 HB2 PRO X 4 27.916 -0.317 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO X 4 27.670 -0.524 -0.720 1.00 0.00 H new ATOM 0 HG2 PRO X 4 25.646 -0.852 -2.466 1.00 0.00 H new ATOM 0 HG3 PRO X 4 25.366 -0.195 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO X 4 25.581 1.277 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO X 4 24.449 1.537 -2.187 1.00 0.00 H new ATOM 49 N GLU X 5 28.924 3.203 -2.646 1.00 0.00 N ATOM 50 CA GLU X 5 30.088 3.729 -3.353 1.00 0.00 C ATOM 51 C GLU X 5 30.425 5.125 -2.856 1.00 0.00 C ATOM 52 O GLU X 5 31.318 5.789 -3.385 1.00 0.00 O ATOM 53 CB GLU X 5 29.848 3.749 -4.868 1.00 0.00 C ATOM 54 CG GLU X 5 29.676 2.365 -5.477 1.00 0.00 C ATOM 55 CD GLU X 5 29.496 2.404 -6.976 1.00 0.00 C ATOM 56 OE1 GLU X 5 29.466 3.513 -7.544 1.00 0.00 O ATOM 57 OE2 GLU X 5 29.371 1.327 -7.584 1.00 0.00 O ATOM 0 H GLU X 5 28.149 3.861 -2.563 1.00 0.00 H new ATOM 0 HA GLU X 5 30.932 3.070 -3.150 1.00 0.00 H new ATOM 0 HB2 GLU X 5 28.958 4.342 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU X 5 30.686 4.249 -5.353 1.00 0.00 H new ATOM 0 HG2 GLU X 5 30.547 1.756 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU X 5 28.812 1.879 -5.024 1.00 0.00 H new ATOM 64 N ALA X 6 29.726 5.541 -1.810 1.00 0.00 N ATOM 65 CA ALA X 6 29.948 6.839 -1.181 1.00 0.00 C ATOM 66 C ALA X 6 29.256 6.888 0.175 1.00 0.00 C ATOM 67 O ALA X 6 28.867 7.953 0.653 1.00 0.00 O ATOM 68 CB ALA X 6 29.445 7.968 -2.072 1.00 0.00 C ATOM 0 H ALA X 6 28.988 4.990 -1.372 1.00 0.00 H new ATOM 0 HA ALA X 6 31.020 6.972 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.622 8.925 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA X 6 29.976 7.945 -3.024 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.377 7.843 -2.249 1.00 0.00 H new ATOM 74 N ASP X 7 29.121 5.724 0.791 1.00 0.00 N ATOM 75 CA ASP X 7 28.491 5.606 2.100 1.00 0.00 C ATOM 76 C ASP X 7 29.495 5.901 3.193 1.00 0.00 C ATOM 77 O ASP X 7 30.689 5.836 2.949 1.00 0.00 O ATOM 78 CB ASP X 7 27.862 4.217 2.282 1.00 0.00 C ATOM 79 CG ASP X 7 28.841 3.060 2.216 1.00 0.00 C ATOM 80 OD1 ASP X 7 30.043 3.295 2.031 1.00 0.00 O ATOM 81 OD2 ASP X 7 28.391 1.904 2.345 1.00 0.00 O ATOM 0 H ASP X 7 29.443 4.838 0.402 1.00 0.00 H new ATOM 0 HA ASP X 7 27.689 6.341 2.167 1.00 0.00 H new ATOM 0 HB2 ASP X 7 27.352 4.188 3.245 1.00 0.00 H new ATOM 0 HB3 ASP X 7 27.101 4.075 1.514 1.00 0.00 H new ATOM 86 N PRO X 8 29.034 6.317 4.387 1.00 0.00 N ATOM 87 CA PRO X 8 29.919 6.714 5.497 1.00 0.00 C ATOM 88 C PRO X 8 31.068 5.729 5.772 1.00 0.00 C ATOM 89 O PRO X 8 32.021 6.065 6.471 1.00 0.00 O ATOM 90 CB PRO X 8 28.965 6.760 6.689 1.00 0.00 C ATOM 91 CG PRO X 8 27.643 7.123 6.102 1.00 0.00 C ATOM 92 CD PRO X 8 27.609 6.519 4.724 1.00 0.00 C ATOM 0 HA PRO X 8 30.429 7.652 5.277 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.921 5.797 7.198 1.00 0.00 H new ATOM 0 HB3 PRO X 8 29.287 7.496 7.426 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.827 6.739 6.715 1.00 0.00 H new ATOM 0 HG3 PRO X 8 27.523 8.205 6.055 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.059 5.578 4.714 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.120 7.181 4.010 1.00 0.00 H new ATOM 100 N ARG X 9 30.976 4.526 5.218 1.00 0.00 N ATOM 101 CA ARG X 9 32.003 3.509 5.394 1.00 0.00 C ATOM 102 C ARG X 9 33.024 3.519 4.248 1.00 0.00 C ATOM 103 O ARG X 9 34.218 3.359 4.476 1.00 0.00 O ATOM 104 CB ARG X 9 31.345 2.136 5.489 1.00 0.00 C ATOM 105 CG ARG X 9 30.243 2.071 6.532 1.00 0.00 C ATOM 106 CD ARG X 9 29.434 0.795 6.394 1.00 0.00 C ATOM 107 NE ARG X 9 28.920 0.630 5.034 1.00 0.00 N ATOM 108 CZ ARG X 9 28.209 -0.420 4.632 1.00 0.00 C ATOM 109 NH1 ARG X 9 27.891 -1.383 5.490 1.00 0.00 N ATOM 110 NH2 ARG X 9 27.815 -0.495 3.372 1.00 0.00 N ATOM 0 H ARG X 9 30.191 4.230 4.637 1.00 0.00 H new ATOM 0 HA ARG X 9 32.542 3.732 6.315 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.932 1.870 4.516 1.00 0.00 H new ATOM 0 HB3 ARG X 9 32.105 1.392 5.726 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.679 2.123 7.530 1.00 0.00 H new ATOM 0 HG3 ARG X 9 29.586 2.935 6.426 1.00 0.00 H new ATOM 0 HD2 ARG X 9 30.056 -0.061 6.655 1.00 0.00 H new ATOM 0 HD3 ARG X 9 28.603 0.812 7.099 1.00 0.00 H new ATOM 0 HE ARG X 9 29.119 1.364 4.354 1.00 0.00 H new ATOM 0 HH11 ARG X 9 28.192 -1.320 6.462 1.00 0.00 H new ATOM 0 HH12 ARG X 9 27.346 -2.186 5.176 1.00 0.00 H new ATOM 0 HH21 ARG X 9 28.057 0.249 2.717 1.00 0.00 H new ATOM 0 HH22 ARG X 9 27.269 -1.296 3.055 1.00 0.00 H new ATOM 124 N LEU X 10 32.549 3.655 3.010 1.00 0.00 N ATOM 125 CA LEU X 10 33.423 3.616 1.849 1.00 0.00 C ATOM 126 C LEU X 10 33.783 5.011 1.379 1.00 0.00 C ATOM 127 O LEU X 10 34.900 5.231 0.939 1.00 0.00 O ATOM 128 CB LEU X 10 32.792 2.815 0.712 1.00 0.00 C ATOM 129 CG LEU X 10 32.771 1.304 0.941 1.00 0.00 C ATOM 130 CD1 LEU X 10 32.121 0.590 -0.226 1.00 0.00 C ATOM 131 CD2 LEU X 10 34.180 0.780 1.155 1.00 0.00 C ATOM 0 H LEU X 10 31.563 3.793 2.790 1.00 0.00 H new ATOM 0 HA LEU X 10 34.343 3.115 2.152 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.770 3.162 0.563 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.337 3.023 -0.209 1.00 0.00 H new ATOM 0 HG LEU X 10 32.182 1.106 1.837 1.00 0.00 H new ATOM 0 HD11 LEU X 10 32.118 -0.484 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU X 10 31.096 0.941 -0.342 1.00 0.00 H new ATOM 0 HD13 LEU X 10 32.681 0.798 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU X 10 34.147 -0.297 1.317 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.786 0.997 0.275 1.00 0.00 H new ATOM 0 HD23 LEU X 10 34.620 1.264 2.027 1.00 0.00 H new ATOM 143 N ILE X 11 32.930 5.987 1.657 1.00 0.00 N ATOM 144 CA ILE X 11 33.312 7.374 1.441 1.00 0.00 C ATOM 145 C ILE X 11 34.354 7.748 2.487 1.00 0.00 C ATOM 146 O ILE X 11 35.117 8.700 2.330 1.00 0.00 O ATOM 147 CB ILE X 11 32.110 8.349 1.505 1.00 0.00 C ATOM 148 CG1 ILE X 11 32.433 9.644 0.758 1.00 0.00 C ATOM 149 CG2 ILE X 11 31.733 8.661 2.946 1.00 0.00 C ATOM 150 CD1 ILE X 11 31.304 10.651 0.783 1.00 0.00 C ATOM 0 H ILE X 11 31.989 5.849 2.025 1.00 0.00 H new ATOM 0 HA ILE X 11 33.719 7.464 0.434 1.00 0.00 H new ATOM 0 HB ILE X 11 31.260 7.864 1.025 1.00 0.00 H new ATOM 0 HG12 ILE X 11 33.322 10.096 1.197 1.00 0.00 H new ATOM 0 HG13 ILE X 11 32.675 9.406 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE X 11 30.886 9.348 2.960 1.00 0.00 H new ATOM 0 HG22 ILE X 11 31.461 7.738 3.459 1.00 0.00 H new ATOM 0 HG23 ILE X 11 32.582 9.121 3.453 1.00 0.00 H new ATOM 0 HD11 ILE X 11 31.602 11.545 0.235 1.00 0.00 H new ATOM 0 HD12 ILE X 11 30.419 10.217 0.317 1.00 0.00 H new ATOM 0 HD13 ILE X 11 31.077 10.917 1.815 1.00 0.00 H new ATOM 162 N GLU X 12 34.450 6.910 3.511 1.00 0.00 N ATOM 163 CA GLU X 12 35.485 7.074 4.520 1.00 0.00 C ATOM 164 C GLU X 12 36.722 6.233 4.191 1.00 0.00 C ATOM 165 O GLU X 12 37.838 6.749 4.167 1.00 0.00 O ATOM 166 CB GLU X 12 34.956 6.713 5.912 1.00 0.00 C ATOM 167 CG GLU X 12 35.937 7.012 7.041 1.00 0.00 C ATOM 168 CD GLU X 12 36.250 8.486 7.181 1.00 0.00 C ATOM 169 OE1 GLU X 12 36.751 9.088 6.213 1.00 0.00 O ATOM 170 OE2 GLU X 12 36.000 9.045 8.263 1.00 0.00 O ATOM 0 H GLU X 12 33.828 6.116 3.663 1.00 0.00 H new ATOM 0 HA GLU X 12 35.776 8.124 4.520 1.00 0.00 H new ATOM 0 HB2 GLU X 12 34.031 7.261 6.092 1.00 0.00 H new ATOM 0 HB3 GLU X 12 34.707 5.652 5.932 1.00 0.00 H new ATOM 0 HG2 GLU X 12 35.524 6.644 7.980 1.00 0.00 H new ATOM 0 HG3 GLU X 12 36.863 6.465 6.864 1.00 0.00 H new ATOM 177 N SER X 13 36.543 4.920 4.083 1.00 0.00 N ATOM 178 CA SER X 13 37.676 4.006 3.935 1.00 0.00 C ATOM 179 C SER X 13 38.175 3.887 2.490 1.00 0.00 C ATOM 180 O SER X 13 39.363 3.679 2.260 1.00 0.00 O ATOM 181 CB SER X 13 37.297 2.617 4.459 1.00 0.00 C ATOM 182 OG SER X 13 36.861 2.676 5.809 1.00 0.00 O ATOM 0 H SER X 13 35.630 4.465 4.095 1.00 0.00 H new ATOM 0 HA SER X 13 38.493 4.428 4.521 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.507 2.195 3.838 1.00 0.00 H new ATOM 0 HB3 SER X 13 38.155 1.950 4.381 1.00 0.00 H new ATOM 0 HG SER X 13 36.907 1.782 6.207 1.00 0.00 H new ATOM 188 N LEU X 14 37.279 3.973 1.519 1.00 0.00 N ATOM 189 CA LEU X 14 37.662 3.815 0.126 1.00 0.00 C ATOM 190 C LEU X 14 37.938 5.173 -0.477 1.00 0.00 C ATOM 191 O LEU X 14 38.834 5.337 -1.302 1.00 0.00 O ATOM 192 CB LEU X 14 36.545 3.077 -0.632 1.00 0.00 C ATOM 193 CG LEU X 14 36.872 2.617 -2.058 1.00 0.00 C ATOM 194 CD1 LEU X 14 36.056 1.383 -2.407 1.00 0.00 C ATOM 195 CD2 LEU X 14 36.584 3.719 -3.063 1.00 0.00 C ATOM 0 H LEU X 14 36.286 4.151 1.669 1.00 0.00 H new ATOM 0 HA LEU X 14 38.572 3.220 0.051 1.00 0.00 H new ATOM 0 HB2 LEU X 14 36.258 2.202 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.674 3.730 -0.676 1.00 0.00 H new ATOM 0 HG LEU X 14 37.934 2.376 -2.102 1.00 0.00 H new ATOM 0 HD11 LEU X 14 36.295 1.064 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU X 14 36.293 0.580 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU X 14 34.994 1.619 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.824 3.368 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU X 14 35.529 3.988 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.192 4.593 -2.829 1.00 0.00 H new ATOM 207 N SER X 15 37.122 6.137 -0.102 1.00 0.00 N ATOM 208 CA SER X 15 37.240 7.457 -0.663 1.00 0.00 C ATOM 209 C SER X 15 38.460 8.191 -0.108 1.00 0.00 C ATOM 210 O SER X 15 39.010 9.058 -0.780 1.00 0.00 O ATOM 211 CB SER X 15 35.964 8.265 -0.439 1.00 0.00 C ATOM 212 OG SER X 15 35.901 9.386 -1.308 1.00 0.00 O ATOM 0 H SER X 15 36.376 6.027 0.585 1.00 0.00 H new ATOM 0 HA SER X 15 37.383 7.347 -1.738 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.095 7.628 -0.601 1.00 0.00 H new ATOM 0 HB3 SER X 15 35.923 8.603 0.597 1.00 0.00 H new ATOM 0 HG SER X 15 35.073 9.882 -1.142 1.00 0.00 H new ATOM 218 N GLN X 16 38.970 7.770 1.058 1.00 0.00 N ATOM 219 CA GLN X 16 40.214 8.348 1.567 1.00 0.00 C ATOM 220 C GLN X 16 41.374 7.898 0.690 1.00 0.00 C ATOM 221 O GLN X 16 42.364 8.607 0.528 1.00 0.00 O ATOM 222 CB GLN X 16 40.464 7.971 3.041 1.00 0.00 C ATOM 223 CG GLN X 16 40.929 6.536 3.280 1.00 0.00 C ATOM 224 CD GLN X 16 42.443 6.388 3.260 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.947 5.584 2.334 1.00 0.00 O flip ATOM 226 NE2 GLN X 16 43.150 6.988 4.072 1.00 0.00 N flip ATOM 0 H GLN X 16 38.552 7.052 1.650 1.00 0.00 H new ATOM 0 HA GLN X 16 40.128 9.434 1.530 1.00 0.00 H new ATOM 0 HB2 GLN X 16 41.212 8.650 3.450 1.00 0.00 H new ATOM 0 HB3 GLN X 16 39.544 8.135 3.601 1.00 0.00 H new ATOM 0 HG2 GLN X 16 40.549 6.193 4.242 1.00 0.00 H new ATOM 0 HG3 GLN X 16 40.497 5.888 2.517 1.00 0.00 H new ATOM 0 HE21 GLN X 16 42.722 7.597 4.769 1.00 0.00 H new ATOM 0 HE22 GLN X 16 44.163 6.875 4.047 1.00 0.00 H new ATOM 235 N MET X 17 41.194 6.743 0.057 1.00 0.00 N ATOM 236 CA MET X 17 42.169 6.229 -0.886 1.00 0.00 C ATOM 237 C MET X 17 42.111 7.035 -2.170 1.00 0.00 C ATOM 238 O MET X 17 43.139 7.454 -2.691 1.00 0.00 O ATOM 239 CB MET X 17 41.907 4.749 -1.179 1.00 0.00 C ATOM 240 CG MET X 17 41.867 3.885 0.071 1.00 0.00 C ATOM 241 SD MET X 17 41.563 2.148 -0.276 1.00 0.00 S ATOM 242 CE MET X 17 43.012 1.734 -1.238 1.00 0.00 C ATOM 0 H MET X 17 40.377 6.146 0.184 1.00 0.00 H new ATOM 0 HA MET X 17 43.163 6.320 -0.449 1.00 0.00 H new ATOM 0 HB2 MET X 17 40.959 4.653 -1.709 1.00 0.00 H new ATOM 0 HB3 MET X 17 42.684 4.375 -1.846 1.00 0.00 H new ATOM 0 HG2 MET X 17 42.814 3.982 0.602 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.088 4.257 0.737 1.00 0.00 H new ATOM 0 HE1 MET X 17 43.189 0.660 -1.185 1.00 0.00 H new ATOM 0 HE2 MET X 17 42.854 2.025 -2.277 1.00 0.00 H new ATOM 0 HE3 MET X 17 43.877 2.265 -0.840 1.00 0.00 H new ATOM 252 N LEU X 18 40.900 7.270 -2.664 1.00 0.00 N ATOM 253 CA LEU X 18 40.724 8.053 -3.890 1.00 0.00 C ATOM 254 C LEU X 18 41.212 9.493 -3.722 1.00 0.00 C ATOM 255 O LEU X 18 41.841 10.048 -4.624 1.00 0.00 O ATOM 256 CB LEU X 18 39.260 8.038 -4.344 1.00 0.00 C ATOM 257 CG LEU X 18 38.884 6.905 -5.306 1.00 0.00 C ATOM 258 CD1 LEU X 18 39.641 7.050 -6.618 1.00 0.00 C ATOM 259 CD2 LEU X 18 39.164 5.546 -4.686 1.00 0.00 C ATOM 0 H LEU X 18 40.033 6.936 -2.243 1.00 0.00 H new ATOM 0 HA LEU X 18 41.335 7.583 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.624 7.969 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU X 18 39.036 8.990 -4.825 1.00 0.00 H new ATOM 0 HG LEU X 18 37.815 6.974 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU X 18 39.363 6.238 -7.290 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.390 8.005 -7.079 1.00 0.00 H new ATOM 0 HD13 LEU X 18 40.713 7.011 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU X 18 38.888 4.761 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU X 18 40.225 5.465 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU X 18 38.580 5.436 -3.772 1.00 0.00 H new ATOM 271 N SER X 19 40.909 10.101 -2.578 1.00 0.00 N ATOM 272 CA SER X 19 41.304 11.486 -2.317 1.00 0.00 C ATOM 273 C SER X 19 42.818 11.621 -2.120 1.00 0.00 C ATOM 274 O SER X 19 43.357 12.731 -2.141 1.00 0.00 O ATOM 275 CB SER X 19 40.581 12.015 -1.074 1.00 0.00 C ATOM 276 OG SER X 19 39.178 11.815 -1.166 1.00 0.00 O ATOM 0 H SER X 19 40.393 9.659 -1.817 1.00 0.00 H new ATOM 0 HA SER X 19 41.022 12.074 -3.190 1.00 0.00 H new ATOM 0 HB2 SER X 19 40.964 11.512 -0.186 1.00 0.00 H new ATOM 0 HB3 SER X 19 40.791 13.078 -0.954 1.00 0.00 H new ATOM 0 HG SER X 19 38.975 10.864 -1.047 1.00 0.00 H new ATOM 282 N MET X 20 43.493 10.509 -1.857 1.00 0.00 N ATOM 283 CA MET X 20 44.924 10.543 -1.577 1.00 0.00 C ATOM 284 C MET X 20 45.734 10.108 -2.796 1.00 0.00 C ATOM 285 O MET X 20 46.871 10.539 -2.985 1.00 0.00 O ATOM 286 CB MET X 20 45.241 9.647 -0.382 1.00 0.00 C ATOM 287 CG MET X 20 46.576 9.950 0.277 1.00 0.00 C ATOM 288 SD MET X 20 46.771 9.085 1.845 1.00 0.00 S ATOM 289 CE MET X 20 45.327 9.676 2.726 1.00 0.00 C ATOM 0 H MET X 20 43.077 9.578 -1.832 1.00 0.00 H new ATOM 0 HA MET X 20 45.203 11.569 -1.339 1.00 0.00 H new ATOM 0 HB2 MET X 20 44.449 9.753 0.359 1.00 0.00 H new ATOM 0 HB3 MET X 20 45.236 8.607 -0.708 1.00 0.00 H new ATOM 0 HG2 MET X 20 47.385 9.666 -0.396 1.00 0.00 H new ATOM 0 HG3 MET X 20 46.662 11.024 0.443 1.00 0.00 H new ATOM 0 HE1 MET X 20 45.550 9.735 3.791 1.00 0.00 H new ATOM 0 HE2 MET X 20 45.055 10.665 2.357 1.00 0.00 H new ATOM 0 HE3 MET X 20 44.497 8.988 2.567 1.00 0.00 H new ATOM 299 N GLY X 21 45.160 9.237 -3.607 1.00 0.00 N ATOM 300 CA GLY X 21 45.858 8.745 -4.774 1.00 0.00 C ATOM 301 C GLY X 21 46.146 7.268 -4.668 1.00 0.00 C ATOM 302 O GLY X 21 47.244 6.812 -4.987 1.00 0.00 O ATOM 0 H GLY X 21 44.221 8.861 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.259 8.936 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.794 9.291 -4.896 1.00 0.00 H new ATOM 306 N PHE X 22 45.137 6.515 -4.256 1.00 0.00 N ATOM 307 CA PHE X 22 45.234 5.077 -4.146 1.00 0.00 C ATOM 308 C PHE X 22 44.000 4.474 -4.771 1.00 0.00 C ATOM 309 O PHE X 22 43.029 5.186 -5.038 1.00 0.00 O ATOM 310 CB PHE X 22 45.354 4.645 -2.682 1.00 0.00 C ATOM 311 CG PHE X 22 46.574 5.184 -1.989 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.839 4.937 -2.495 1.00 0.00 C ATOM 313 CD2 PHE X 22 46.455 5.936 -0.833 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.962 5.427 -1.861 1.00 0.00 C ATOM 315 CE2 PHE X 22 47.577 6.430 -0.195 1.00 0.00 C ATOM 316 CZ PHE X 22 48.832 6.175 -0.710 1.00 0.00 C ATOM 0 H PHE X 22 44.227 6.891 -3.989 1.00 0.00 H new ATOM 0 HA PHE X 22 46.129 4.730 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE X 22 44.466 4.973 -2.142 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.372 3.556 -2.634 1.00 0.00 H new ATOM 0 HD1 PHE X 22 47.948 4.353 -3.397 1.00 0.00 H new ATOM 0 HD2 PHE X 22 45.476 6.139 -0.426 1.00 0.00 H new ATOM 0 HE1 PHE X 22 49.943 5.225 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE X 22 47.472 7.015 0.706 1.00 0.00 H new ATOM 0 HZ PHE X 22 49.710 6.560 -0.213 1.00 0.00 H new ATOM 326 N SER X 23 44.026 3.182 -5.019 1.00 0.00 N ATOM 327 CA SER X 23 42.894 2.523 -5.647 1.00 0.00 C ATOM 328 C SER X 23 42.933 1.027 -5.353 1.00 0.00 C ATOM 329 O SER X 23 43.144 0.622 -4.213 1.00 0.00 O ATOM 330 CB SER X 23 42.910 2.753 -7.167 1.00 0.00 C ATOM 331 OG SER X 23 42.788 4.129 -7.495 1.00 0.00 O ATOM 0 H SER X 23 44.811 2.569 -4.799 1.00 0.00 H new ATOM 0 HA SER X 23 41.977 2.948 -5.238 1.00 0.00 H new ATOM 0 HB2 SER X 23 43.838 2.361 -7.584 1.00 0.00 H new ATOM 0 HB3 SER X 23 42.094 2.196 -7.627 1.00 0.00 H new ATOM 0 HG SER X 23 42.537 4.635 -6.694 1.00 0.00 H new ATOM 337 N ASP X 24 42.937 0.226 -6.411 1.00 0.00 N ATOM 338 CA ASP X 24 43.198 -1.195 -6.282 1.00 0.00 C ATOM 339 C ASP X 24 44.439 -1.550 -7.072 1.00 0.00 C ATOM 340 O ASP X 24 44.588 -1.148 -8.225 1.00 0.00 O ATOM 341 CB ASP X 24 42.003 -2.049 -6.742 1.00 0.00 C ATOM 342 CG ASP X 24 41.415 -1.630 -8.074 1.00 0.00 C ATOM 343 OD1 ASP X 24 42.119 -1.713 -9.097 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.236 -1.231 -8.098 1.00 0.00 O ATOM 0 H ASP X 24 42.762 0.539 -7.366 1.00 0.00 H new ATOM 0 HA ASP X 24 43.356 -1.416 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP X 24 42.319 -3.090 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP X 24 41.223 -2.001 -5.982 1.00 0.00 H new ATOM 349 N GLU X 25 45.351 -2.271 -6.447 1.00 0.00 N ATOM 350 CA GLU X 25 46.593 -2.636 -7.112 1.00 0.00 C ATOM 351 C GLU X 25 46.365 -3.811 -8.066 1.00 0.00 C ATOM 352 O GLU X 25 47.260 -4.206 -8.811 1.00 0.00 O ATOM 353 CB GLU X 25 47.680 -2.925 -6.068 1.00 0.00 C ATOM 354 CG GLU X 25 47.388 -4.096 -5.144 1.00 0.00 C ATOM 355 CD GLU X 25 47.865 -5.425 -5.683 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.784 -5.433 -6.523 1.00 0.00 O ATOM 357 OE2 GLU X 25 47.345 -6.463 -5.237 1.00 0.00 O ATOM 0 H GLU X 25 45.260 -2.613 -5.491 1.00 0.00 H new ATOM 0 HA GLU X 25 46.941 -1.801 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU X 25 48.619 -3.116 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU X 25 47.827 -2.031 -5.462 1.00 0.00 H new ATOM 0 HG2 GLU X 25 47.861 -3.914 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU X 25 46.314 -4.149 -4.967 1.00 0.00 H new ATOM 364 N GLY X 26 45.110 -4.249 -8.139 1.00 0.00 N ATOM 365 CA GLY X 26 44.702 -5.243 -9.113 1.00 0.00 C ATOM 366 C GLY X 26 43.236 -5.084 -9.470 1.00 0.00 C ATOM 367 O GLY X 26 42.895 -4.546 -10.523 1.00 0.00 O ATOM 0 H GLY X 26 44.359 -3.925 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY X 26 45.311 -5.148 -10.012 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.877 -6.242 -8.713 1.00 0.00 H new ATOM 371 N GLY X 27 42.370 -5.475 -8.545 1.00 0.00 N ATOM 372 CA GLY X 27 40.944 -5.288 -8.720 1.00 0.00 C ATOM 373 C GLY X 27 40.189 -5.712 -7.482 1.00 0.00 C ATOM 374 O GLY X 27 39.070 -6.211 -7.561 1.00 0.00 O ATOM 0 H GLY X 27 42.634 -5.923 -7.668 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.734 -4.241 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY X 27 40.600 -5.867 -9.577 1.00 0.00 H new ATOM 378 N TRP X 28 40.855 -5.606 -6.341 1.00 0.00 N ATOM 379 CA TRP X 28 40.304 -6.072 -5.083 1.00 0.00 C ATOM 380 C TRP X 28 39.688 -4.947 -4.275 1.00 0.00 C ATOM 381 O TRP X 28 39.060 -5.227 -3.277 1.00 0.00 O ATOM 382 CB TRP X 28 41.389 -6.745 -4.244 1.00 0.00 C ATOM 383 CG TRP X 28 42.623 -5.911 -4.147 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.732 -6.004 -4.927 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.849 -4.811 -3.258 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.636 -5.047 -4.564 1.00 0.00 N ATOM 387 CE2 TRP X 28 44.117 -4.303 -3.545 1.00 0.00 C ATOM 388 CE3 TRP X 28 42.100 -4.214 -2.245 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.655 -3.226 -2.859 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.632 -3.143 -1.563 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.898 -2.658 -1.872 1.00 0.00 C ATOM 0 H TRP X 28 41.786 -5.197 -6.264 1.00 0.00 H new ATOM 0 HA TRP X 28 39.519 -6.787 -5.330 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.004 -6.939 -3.243 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.639 -7.711 -4.683 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.877 -6.727 -5.716 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.554 -4.910 -4.988 1.00 0.00 H new ATOM 0 HE3 TRP X 28 41.117 -4.586 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.639 -2.848 -3.096 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 42.058 -2.673 -0.778 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.291 -1.816 -1.322 1.00 0.00 H new ATOM 402 N LEU X 29 40.060 -3.694 -4.563 1.00 0.00 N ATOM 403 CA LEU X 29 39.703 -2.566 -3.680 1.00 0.00 C ATOM 404 C LEU X 29 38.276 -2.663 -3.128 1.00 0.00 C ATOM 405 O LEU X 29 38.080 -2.576 -1.921 1.00 0.00 O ATOM 406 CB LEU X 29 39.905 -1.221 -4.387 1.00 0.00 C ATOM 407 CG LEU X 29 39.299 -0.011 -3.672 1.00 0.00 C ATOM 408 CD1 LEU X 29 39.900 0.146 -2.287 1.00 0.00 C ATOM 409 CD2 LEU X 29 39.510 1.253 -4.485 1.00 0.00 C ATOM 0 H LEU X 29 40.601 -3.433 -5.388 1.00 0.00 H new ATOM 0 HA LEU X 29 40.381 -2.627 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.974 -1.051 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.474 -1.286 -5.386 1.00 0.00 H new ATOM 0 HG LEU X 29 38.227 -0.179 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU X 29 39.457 1.011 -1.794 1.00 0.00 H new ATOM 0 HD12 LEU X 29 39.698 -0.749 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU X 29 40.977 0.289 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU X 29 39.072 2.101 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU X 29 40.578 1.423 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU X 29 39.032 1.143 -5.459 1.00 0.00 H new ATOM 421 N THR X 30 37.288 -2.825 -3.998 1.00 0.00 N ATOM 422 CA THR X 30 35.895 -2.900 -3.556 1.00 0.00 C ATOM 423 C THR X 30 35.587 -4.230 -2.860 1.00 0.00 C ATOM 424 O THR X 30 34.548 -4.376 -2.218 1.00 0.00 O ATOM 425 CB THR X 30 34.963 -2.711 -4.752 1.00 0.00 C ATOM 426 OG1 THR X 30 35.139 -3.750 -5.702 1.00 0.00 O ATOM 427 CG2 THR X 30 35.182 -1.403 -5.473 1.00 0.00 C ATOM 0 H THR X 30 37.419 -2.907 -5.006 1.00 0.00 H new ATOM 0 HA THR X 30 35.733 -2.103 -2.831 1.00 0.00 H new ATOM 0 HB THR X 30 33.956 -2.723 -4.335 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.531 -3.609 -6.458 1.00 0.00 H new ATOM 0 HG21 THR X 30 34.490 -1.330 -6.312 1.00 0.00 H new ATOM 0 HG22 THR X 30 35.008 -0.575 -4.786 1.00 0.00 H new ATOM 0 HG23 THR X 30 36.206 -1.359 -5.843 1.00 0.00 H new ATOM 435 N ARG X 31 36.449 -5.214 -3.075 1.00 0.00 N ATOM 436 CA ARG X 31 36.238 -6.570 -2.571 1.00 0.00 C ATOM 437 C ARG X 31 36.941 -6.790 -1.223 1.00 0.00 C ATOM 438 O ARG X 31 36.349 -7.324 -0.285 1.00 0.00 O ATOM 439 CB ARG X 31 36.757 -7.574 -3.610 1.00 0.00 C ATOM 440 CG ARG X 31 36.570 -7.097 -5.048 1.00 0.00 C ATOM 441 CD ARG X 31 36.774 -8.212 -6.066 1.00 0.00 C ATOM 442 NE ARG X 31 35.735 -8.204 -7.102 1.00 0.00 N ATOM 443 CZ ARG X 31 35.551 -7.213 -7.982 1.00 0.00 C ATOM 444 NH1 ARG X 31 36.400 -6.199 -8.045 1.00 0.00 N ATOM 445 NH2 ARG X 31 34.527 -7.257 -8.819 1.00 0.00 N ATOM 0 H ARG X 31 37.314 -5.098 -3.603 1.00 0.00 H new ATOM 0 HA ARG X 31 35.171 -6.718 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG X 31 37.816 -7.760 -3.430 1.00 0.00 H new ATOM 0 HB3 ARG X 31 36.240 -8.524 -3.478 1.00 0.00 H new ATOM 0 HG2 ARG X 31 35.568 -6.684 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.273 -6.289 -5.253 1.00 0.00 H new ATOM 0 HD2 ARG X 31 37.753 -8.103 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG X 31 36.770 -9.175 -5.555 1.00 0.00 H new ATOM 0 HE ARG X 31 35.110 -9.009 -7.155 1.00 0.00 H new ATOM 0 HH11 ARG X 31 37.204 -6.168 -7.419 1.00 0.00 H new ATOM 0 HH12 ARG X 31 36.250 -5.449 -8.720 1.00 0.00 H new ATOM 0 HH21 ARG X 31 33.880 -8.045 -8.792 1.00 0.00 H new ATOM 0 HH22 ARG X 31 34.385 -6.503 -9.491 1.00 0.00 H new ATOM 459 N LEU X 32 38.215 -6.407 -1.166 1.00 0.00 N ATOM 460 CA LEU X 32 39.061 -6.571 0.018 1.00 0.00 C ATOM 461 C LEU X 32 38.375 -6.035 1.270 1.00 0.00 C ATOM 462 O LEU X 32 38.015 -6.797 2.164 1.00 0.00 O ATOM 463 CB LEU X 32 40.392 -5.836 -0.229 1.00 0.00 C ATOM 464 CG LEU X 32 41.542 -6.040 0.780 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.328 -5.250 2.057 1.00 0.00 C ATOM 466 CD2 LEU X 32 41.730 -7.506 1.104 1.00 0.00 C ATOM 0 H LEU X 32 38.697 -5.968 -1.951 1.00 0.00 H new ATOM 0 HA LEU X 32 39.245 -7.632 0.185 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.757 -6.132 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.178 -4.768 -0.277 1.00 0.00 H new ATOM 0 HG LEU X 32 42.447 -5.665 0.302 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.162 -5.425 2.737 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.268 -4.187 1.822 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.400 -5.570 2.531 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.547 -7.619 1.817 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.812 -7.903 1.537 1.00 0.00 H new ATOM 0 HD23 LEU X 32 41.967 -8.053 0.191 1.00 0.00 H new ATOM 478 N LEU X 33 38.274 -4.715 1.367 1.00 0.00 N ATOM 479 CA LEU X 33 37.730 -4.081 2.563 1.00 0.00 C ATOM 480 C LEU X 33 36.272 -4.462 2.807 1.00 0.00 C ATOM 481 O LEU X 33 35.803 -4.413 3.931 1.00 0.00 O ATOM 482 CB LEU X 33 37.891 -2.550 2.505 1.00 0.00 C ATOM 483 CG LEU X 33 37.812 -1.900 1.117 1.00 0.00 C ATOM 484 CD1 LEU X 33 36.427 -2.046 0.507 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.198 -0.431 1.204 1.00 0.00 C ATOM 0 H LEU X 33 38.560 -4.064 0.635 1.00 0.00 H new ATOM 0 HA LEU X 33 38.308 -4.456 3.408 1.00 0.00 H new ATOM 0 HB2 LEU X 33 37.121 -2.103 3.134 1.00 0.00 H new ATOM 0 HB3 LEU X 33 38.853 -2.292 2.947 1.00 0.00 H new ATOM 0 HG LEU X 33 38.516 -2.418 0.466 1.00 0.00 H new ATOM 0 HD11 LEU X 33 36.410 -1.573 -0.475 1.00 0.00 H new ATOM 0 HD12 LEU X 33 36.184 -3.104 0.405 1.00 0.00 H new ATOM 0 HD13 LEU X 33 35.692 -1.566 1.153 1.00 0.00 H new ATOM 0 HD21 LEU X 33 38.138 0.020 0.214 1.00 0.00 H new ATOM 0 HD22 LEU X 33 37.516 0.085 1.879 1.00 0.00 H new ATOM 0 HD23 LEU X 33 39.217 -0.344 1.581 1.00 0.00 H new ATOM 497 N GLN X 34 35.558 -4.833 1.757 1.00 0.00 N ATOM 498 CA GLN X 34 34.149 -5.199 1.879 1.00 0.00 C ATOM 499 C GLN X 34 33.944 -6.350 2.864 1.00 0.00 C ATOM 500 O GLN X 34 32.942 -6.395 3.577 1.00 0.00 O ATOM 501 CB GLN X 34 33.598 -5.580 0.509 1.00 0.00 C ATOM 502 CG GLN X 34 32.078 -5.692 0.459 1.00 0.00 C ATOM 503 CD GLN X 34 31.362 -4.355 0.552 1.00 0.00 C ATOM 504 OE1 GLN X 34 32.048 -3.270 0.212 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 30.187 -4.297 0.912 1.00 0.00 N flip ATOM 0 H GLN X 34 35.928 -4.890 0.808 1.00 0.00 H new ATOM 0 HA GLN X 34 33.610 -4.335 2.267 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.921 -4.837 -0.220 1.00 0.00 H new ATOM 0 HB3 GLN X 34 34.032 -6.533 0.207 1.00 0.00 H new ATOM 0 HG2 GLN X 34 31.789 -6.184 -0.470 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.743 -6.331 1.276 1.00 0.00 H new ATOM 0 HE21 GLN X 34 29.689 -5.150 1.166 1.00 0.00 H new ATOM 0 HE22 GLN X 34 29.711 -3.396 0.956 1.00 0.00 H new ATOM 514 N THR X 35 34.880 -7.288 2.886 1.00 0.00 N ATOM 515 CA THR X 35 34.775 -8.442 3.765 1.00 0.00 C ATOM 516 C THR X 35 35.557 -8.215 5.062 1.00 0.00 C ATOM 517 O THR X 35 35.458 -9.000 6.007 1.00 0.00 O ATOM 518 CB THR X 35 35.294 -9.685 3.039 1.00 0.00 C ATOM 519 OG1 THR X 35 34.779 -9.735 1.720 1.00 0.00 O ATOM 520 CG2 THR X 35 34.916 -10.986 3.716 1.00 0.00 C ATOM 0 H THR X 35 35.719 -7.272 2.306 1.00 0.00 H new ATOM 0 HA THR X 35 33.728 -8.589 4.028 1.00 0.00 H new ATOM 0 HB THR X 35 36.380 -9.592 3.050 1.00 0.00 H new ATOM 0 HG1 THR X 35 35.120 -10.534 1.266 1.00 0.00 H new ATOM 0 HG21 THR X 35 35.318 -11.823 3.145 1.00 0.00 H new ATOM 0 HG22 THR X 35 35.327 -11.004 4.725 1.00 0.00 H new ATOM 0 HG23 THR X 35 33.830 -11.068 3.765 1.00 0.00 H new ATOM 528 N LYS X 36 36.371 -7.165 5.089 1.00 0.00 N ATOM 529 CA LYS X 36 37.207 -6.881 6.253 1.00 0.00 C ATOM 530 C LYS X 36 36.709 -5.660 7.030 1.00 0.00 C ATOM 531 O LYS X 36 37.515 -4.906 7.574 1.00 0.00 O ATOM 532 CB LYS X 36 38.669 -6.661 5.832 1.00 0.00 C ATOM 533 CG LYS X 36 39.448 -7.938 5.521 1.00 0.00 C ATOM 534 CD LYS X 36 38.973 -8.606 4.243 1.00 0.00 C ATOM 535 CE LYS X 36 39.912 -9.717 3.802 1.00 0.00 C ATOM 536 NZ LYS X 36 39.942 -10.852 4.762 1.00 0.00 N ATOM 0 H LYS X 36 36.471 -6.499 4.323 1.00 0.00 H new ATOM 0 HA LYS X 36 37.145 -7.750 6.908 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.686 -6.019 4.951 1.00 0.00 H new ATOM 0 HB3 LYS X 36 39.184 -6.123 6.628 1.00 0.00 H new ATOM 0 HG2 LYS X 36 40.508 -7.702 5.432 1.00 0.00 H new ATOM 0 HG3 LYS X 36 39.345 -8.635 6.353 1.00 0.00 H new ATOM 0 HD2 LYS X 36 37.974 -9.014 4.396 1.00 0.00 H new ATOM 0 HD3 LYS X 36 38.895 -7.861 3.451 1.00 0.00 H new ATOM 0 HE2 LYS X 36 39.603 -10.082 2.822 1.00 0.00 H new ATOM 0 HE3 LYS X 36 40.919 -9.314 3.689 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 40.596 -11.582 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 40.263 -10.512 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 38.988 -11.256 4.851 1.00 0.00 H new ATOM 550 N ASN X 37 35.386 -5.490 7.109 1.00 0.00 N ATOM 551 CA ASN X 37 34.777 -4.380 7.859 1.00 0.00 C ATOM 552 C ASN X 37 35.245 -3.024 7.315 1.00 0.00 C ATOM 553 O ASN X 37 35.451 -2.068 8.061 1.00 0.00 O ATOM 554 CB ASN X 37 35.095 -4.510 9.359 1.00 0.00 C ATOM 555 CG ASN X 37 34.416 -3.454 10.209 1.00 0.00 C ATOM 556 OD1 ASN X 37 33.189 -3.428 10.333 1.00 0.00 O ATOM 557 ND2 ASN X 37 35.216 -2.572 10.796 1.00 0.00 N ATOM 0 H ASN X 37 34.710 -6.109 6.661 1.00 0.00 H new ATOM 0 HA ASN X 37 33.696 -4.433 7.730 1.00 0.00 H new ATOM 0 HB2 ASN X 37 34.788 -5.497 9.704 1.00 0.00 H new ATOM 0 HB3 ASN X 37 36.174 -4.443 9.502 1.00 0.00 H new ATOM 0 HD21 ASN X 37 34.821 -1.834 11.378 1.00 0.00 H new ATOM 0 HD22 ASN X 37 36.226 -2.633 10.665 1.00 0.00 H new ATOM 564 N TYR X 38 35.400 -2.953 5.996 1.00 0.00 N ATOM 565 CA TYR X 38 35.829 -1.732 5.315 1.00 0.00 C ATOM 566 C TYR X 38 37.132 -1.225 5.914 1.00 0.00 C ATOM 567 O TYR X 38 37.184 -0.158 6.528 1.00 0.00 O ATOM 568 CB TYR X 38 34.715 -0.688 5.391 1.00 0.00 C ATOM 569 CG TYR X 38 33.404 -1.241 4.882 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.230 -1.514 3.534 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.361 -1.538 5.752 1.00 0.00 C ATOM 572 CE1 TYR X 38 32.058 -2.062 3.064 1.00 0.00 C ATOM 573 CE2 TYR X 38 31.181 -2.082 5.285 1.00 0.00 C ATOM 574 CZ TYR X 38 31.037 -2.344 3.938 1.00 0.00 C ATOM 575 OH TYR X 38 29.871 -2.896 3.466 1.00 0.00 O ATOM 0 H TYR X 38 35.232 -3.739 5.368 1.00 0.00 H new ATOM 0 HA TYR X 38 36.021 -1.942 4.263 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.595 -0.356 6.422 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.994 0.187 4.805 1.00 0.00 H new ATOM 0 HD1 TYR X 38 34.028 -1.293 2.841 1.00 0.00 H new ATOM 0 HD2 TYR X 38 32.475 -1.340 6.808 1.00 0.00 H new ATOM 0 HE1 TYR X 38 31.942 -2.270 2.011 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.375 -2.301 5.970 1.00 0.00 H new ATOM 0 HH TYR X 38 29.352 -3.254 4.216 1.00 0.00 H new ATOM 585 N ASP X 39 38.143 -2.083 5.848 1.00 0.00 N ATOM 586 CA ASP X 39 39.412 -1.824 6.516 1.00 0.00 C ATOM 587 C ASP X 39 40.387 -1.111 5.597 1.00 0.00 C ATOM 588 O ASP X 39 40.752 -1.637 4.547 1.00 0.00 O ATOM 589 CB ASP X 39 40.041 -3.138 6.982 1.00 0.00 C ATOM 590 CG ASP X 39 40.778 -2.995 8.291 1.00 0.00 C ATOM 591 OD1 ASP X 39 41.516 -2.011 8.451 1.00 0.00 O ATOM 592 OD2 ASP X 39 40.631 -3.877 9.159 1.00 0.00 O ATOM 0 H ASP X 39 38.108 -2.965 5.338 1.00 0.00 H new ATOM 0 HA ASP X 39 39.205 -1.184 7.373 1.00 0.00 H new ATOM 0 HB2 ASP X 39 39.261 -3.892 7.088 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.730 -3.498 6.218 1.00 0.00 H new ATOM 597 N ILE X 40 40.949 -0.016 6.085 1.00 0.00 N ATOM 598 CA ILE X 40 42.048 0.638 5.389 1.00 0.00 C ATOM 599 C ILE X 40 43.378 0.078 5.859 1.00 0.00 C ATOM 600 O ILE X 40 44.429 0.402 5.312 1.00 0.00 O ATOM 601 CB ILE X 40 42.059 2.172 5.576 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.505 2.579 6.953 1.00 0.00 C ATOM 603 CG2 ILE X 40 41.282 2.843 4.457 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.043 2.991 6.938 1.00 0.00 C ATOM 0 H ILE X 40 40.665 0.437 6.954 1.00 0.00 H new ATOM 0 HA ILE X 40 41.898 0.434 4.329 1.00 0.00 H new ATOM 0 HB ILE X 40 43.095 2.509 5.533 1.00 0.00 H new ATOM 0 HG12 ILE X 40 41.629 1.745 7.643 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.100 3.405 7.342 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.297 3.923 4.600 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.739 2.598 3.499 1.00 0.00 H new ATOM 0 HG23 ILE X 40 40.251 2.490 4.468 1.00 0.00 H new ATOM 0 HD11 ILE X 40 39.731 3.262 7.947 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.913 3.847 6.275 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.434 2.160 6.581 1.00 0.00 H new ATOM 616 N GLY X 41 43.328 -0.753 6.888 1.00 0.00 N ATOM 617 CA GLY X 41 44.536 -1.325 7.428 1.00 0.00 C ATOM 618 C GLY X 41 45.145 -2.339 6.500 1.00 0.00 C ATOM 619 O GLY X 41 46.356 -2.356 6.283 1.00 0.00 O ATOM 0 H GLY X 41 42.469 -1.040 7.358 1.00 0.00 H new ATOM 0 HA2 GLY X 41 45.258 -0.531 7.621 1.00 0.00 H new ATOM 0 HA3 GLY X 41 44.317 -1.796 8.386 1.00 0.00 H new ATOM 623 N ALA X 42 44.288 -3.159 5.926 1.00 0.00 N ATOM 624 CA ALA X 42 44.716 -4.175 4.976 1.00 0.00 C ATOM 625 C ALA X 42 44.678 -3.647 3.552 1.00 0.00 C ATOM 626 O ALA X 42 45.355 -4.171 2.673 1.00 0.00 O ATOM 627 CB ALA X 42 43.856 -5.425 5.102 1.00 0.00 C ATOM 0 H ALA X 42 43.283 -3.144 6.100 1.00 0.00 H new ATOM 0 HA ALA X 42 45.747 -4.437 5.211 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.192 -6.172 4.383 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.944 -5.827 6.111 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.815 -5.172 4.902 1.00 0.00 H new ATOM 633 N ALA X 43 43.872 -2.615 3.335 1.00 0.00 N ATOM 634 CA ALA X 43 43.728 -2.015 2.008 1.00 0.00 C ATOM 635 C ALA X 43 45.001 -1.288 1.584 1.00 0.00 C ATOM 636 O ALA X 43 45.428 -1.384 0.437 1.00 0.00 O ATOM 637 CB ALA X 43 42.543 -1.059 1.977 1.00 0.00 C ATOM 0 H ALA X 43 43.306 -2.173 4.060 1.00 0.00 H new ATOM 0 HA ALA X 43 43.548 -2.823 1.299 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.453 -0.623 0.982 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.630 -1.603 2.219 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.697 -0.265 2.708 1.00 0.00 H new ATOM 643 N LEU X 44 45.616 -0.574 2.519 1.00 0.00 N ATOM 644 CA LEU X 44 46.856 0.142 2.230 1.00 0.00 C ATOM 645 C LEU X 44 48.024 -0.832 2.150 1.00 0.00 C ATOM 646 O LEU X 44 48.950 -0.641 1.360 1.00 0.00 O ATOM 647 CB LEU X 44 47.137 1.208 3.297 1.00 0.00 C ATOM 648 CG LEU X 44 46.449 2.565 3.083 1.00 0.00 C ATOM 649 CD1 LEU X 44 44.937 2.415 3.023 1.00 0.00 C ATOM 650 CD2 LEU X 44 46.838 3.534 4.186 1.00 0.00 C ATOM 0 H LEU X 44 45.281 -0.475 3.477 1.00 0.00 H new ATOM 0 HA LEU X 44 46.740 0.640 1.267 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.830 0.815 4.266 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.214 1.371 3.346 1.00 0.00 H new ATOM 0 HG LEU X 44 46.786 2.963 2.126 1.00 0.00 H new ATOM 0 HD11 LEU X 44 44.480 3.393 2.871 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.669 1.757 2.196 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.576 1.988 3.959 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.343 4.491 4.021 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.532 3.129 5.151 1.00 0.00 H new ATOM 0 HD23 LEU X 44 47.918 3.678 4.179 1.00 0.00 H new ATOM 662 N ASP X 45 47.951 -1.880 2.968 1.00 0.00 N ATOM 663 CA ASP X 45 48.978 -2.923 3.017 1.00 0.00 C ATOM 664 C ASP X 45 49.179 -3.569 1.646 1.00 0.00 C ATOM 665 O ASP X 45 50.276 -3.999 1.299 1.00 0.00 O ATOM 666 CB ASP X 45 48.565 -3.979 4.054 1.00 0.00 C ATOM 667 CG ASP X 45 49.632 -5.018 4.326 1.00 0.00 C ATOM 668 OD1 ASP X 45 49.916 -5.838 3.431 1.00 0.00 O ATOM 669 OD2 ASP X 45 50.175 -5.027 5.446 1.00 0.00 O ATOM 0 H ASP X 45 47.178 -2.032 3.617 1.00 0.00 H new ATOM 0 HA ASP X 45 49.928 -2.473 3.306 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.312 -3.478 4.988 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.662 -4.481 3.707 1.00 0.00 H new ATOM 674 N THR X 46 48.099 -3.698 0.898 1.00 0.00 N ATOM 675 CA THR X 46 48.138 -4.368 -0.391 1.00 0.00 C ATOM 676 C THR X 46 48.537 -3.435 -1.544 1.00 0.00 C ATOM 677 O THR X 46 49.220 -3.869 -2.474 1.00 0.00 O ATOM 678 CB THR X 46 46.778 -5.002 -0.670 1.00 0.00 C ATOM 679 OG1 THR X 46 45.743 -4.173 -0.184 1.00 0.00 O ATOM 680 CG2 THR X 46 46.597 -6.362 -0.039 1.00 0.00 C ATOM 0 H THR X 46 47.179 -3.346 1.162 1.00 0.00 H new ATOM 0 HA THR X 46 48.911 -5.135 -0.336 1.00 0.00 H new ATOM 0 HB THR X 46 46.734 -5.119 -1.753 1.00 0.00 H new ATOM 0 HG1 THR X 46 45.095 -4.006 -0.900 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.607 -6.747 -0.282 1.00 0.00 H new ATOM 0 HG22 THR X 46 47.356 -7.045 -0.422 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.698 -6.277 1.043 1.00 0.00 H new ATOM 688 N ILE X 47 47.975 -2.221 -1.583 1.00 0.00 N ATOM 689 CA ILE X 47 48.154 -1.357 -2.757 1.00 0.00 C ATOM 690 C ILE X 47 49.588 -0.876 -2.948 1.00 0.00 C ATOM 691 O ILE X 47 49.998 -0.633 -4.079 1.00 0.00 O ATOM 692 CB ILE X 47 47.282 -0.085 -2.669 1.00 0.00 C ATOM 693 CG1 ILE X 47 47.284 0.461 -1.239 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.865 -0.336 -3.153 1.00 0.00 C ATOM 695 CD1 ILE X 47 46.511 1.747 -1.081 1.00 0.00 C ATOM 0 H ILE X 47 47.406 -1.822 -0.836 1.00 0.00 H new ATOM 0 HA ILE X 47 47.862 -1.989 -3.596 1.00 0.00 H new ATOM 0 HB ILE X 47 47.717 0.664 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.862 -0.291 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE X 47 48.314 0.625 -0.923 1.00 0.00 H new ATOM 0 HG21 ILE X 47 45.285 0.584 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.888 -0.663 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE X 47 45.403 -1.110 -2.540 1.00 0.00 H new ATOM 0 HD11 ILE X 47 46.557 2.074 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE X 47 46.946 2.514 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE X 47 45.471 1.584 -1.365 1.00 0.00 H new ATOM 707 N GLN X 48 50.334 -0.716 -1.855 1.00 0.00 N ATOM 708 CA GLN X 48 51.710 -0.205 -1.928 1.00 0.00 C ATOM 709 C GLN X 48 52.466 -0.440 -0.625 1.00 0.00 C ATOM 710 O GLN X 48 53.684 -0.629 -0.637 1.00 0.00 O ATOM 711 CB GLN X 48 51.731 1.302 -2.250 1.00 0.00 C ATOM 712 CG GLN X 48 51.766 1.631 -3.739 1.00 0.00 C ATOM 713 CD GLN X 48 50.481 2.260 -4.256 1.00 0.00 C ATOM 714 OE1 GLN X 48 49.469 2.359 -3.404 1.00 0.00 O flip ATOM 715 NE2 GLN X 48 50.398 2.646 -5.423 1.00 0.00 N flip ATOM 0 H GLN X 48 50.014 -0.931 -0.911 1.00 0.00 H new ATOM 0 HA GLN X 48 52.203 -0.754 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN X 48 50.849 1.767 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.601 1.751 -1.771 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.596 2.310 -3.933 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.964 0.717 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN X 48 51.198 2.553 -6.049 1.00 0.00 H new ATOM 0 HE22 GLN X 48 49.529 3.058 -5.763 1.00 0.00 H new ATOM 724 N TYR X 49 51.751 -0.411 0.499 1.00 0.00 N ATOM 725 CA TYR X 49 52.373 -0.608 1.813 1.00 0.00 C ATOM 726 C TYR X 49 52.653 -2.088 2.065 1.00 0.00 C ATOM 727 O TYR X 49 52.384 -2.604 3.150 1.00 0.00 O ATOM 728 CB TYR X 49 51.474 -0.069 2.932 1.00 0.00 C ATOM 729 CG TYR X 49 51.359 1.440 2.988 1.00 0.00 C ATOM 730 CD1 TYR X 49 50.767 2.164 1.959 1.00 0.00 C ATOM 731 CD2 TYR X 49 51.837 2.140 4.087 1.00 0.00 C ATOM 732 CE1 TYR X 49 50.657 3.539 2.026 1.00 0.00 C ATOM 733 CE2 TYR X 49 51.733 3.514 4.161 1.00 0.00 C ATOM 734 CZ TYR X 49 51.141 4.210 3.130 1.00 0.00 C ATOM 735 OH TYR X 49 51.035 5.578 3.205 1.00 0.00 O ATOM 0 H TYR X 49 50.744 -0.254 0.529 1.00 0.00 H new ATOM 0 HA TYR X 49 53.314 -0.058 1.814 1.00 0.00 H new ATOM 0 HB2 TYR X 49 50.476 -0.490 2.811 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.856 -0.425 3.889 1.00 0.00 H new ATOM 0 HD1 TYR X 49 50.387 1.642 1.093 1.00 0.00 H new ATOM 0 HD2 TYR X 49 52.299 1.599 4.900 1.00 0.00 H new ATOM 0 HE1 TYR X 49 50.194 4.086 1.218 1.00 0.00 H new ATOM 0 HE2 TYR X 49 52.114 4.041 5.023 1.00 0.00 H new ATOM 0 HH TYR X 49 51.424 5.891 4.048 1.00 0.00 H new ATOM 745 N SER X 50 53.148 -2.776 1.043 1.00 0.00 N ATOM 746 CA SER X 50 53.404 -4.204 1.129 1.00 0.00 C ATOM 747 C SER X 50 54.799 -4.482 1.681 1.00 0.00 C ATOM 748 O SER X 50 55.318 -5.590 1.560 1.00 0.00 O ATOM 749 CB SER X 50 53.251 -4.839 -0.251 1.00 0.00 C ATOM 750 OG SER X 50 52.018 -4.461 -0.841 1.00 0.00 O ATOM 0 H SER X 50 53.381 -2.362 0.140 1.00 0.00 H new ATOM 0 HA SER X 50 52.678 -4.642 1.814 1.00 0.00 H new ATOM 0 HB2 SER X 50 54.077 -4.531 -0.892 1.00 0.00 H new ATOM 0 HB3 SER X 50 53.302 -5.924 -0.165 1.00 0.00 H new ATOM 0 HG SER X 50 51.354 -4.300 -0.138 1.00 0.00 H new ATOM 756 N LYS X 51 55.355 -3.499 2.371 1.00 0.00 N ATOM 757 CA LYS X 51 56.631 -3.665 3.042 1.00 0.00 C ATOM 758 C LYS X 51 56.392 -3.633 4.538 1.00 0.00 C ATOM 759 O LYS X 51 57.122 -2.984 5.292 1.00 0.00 O ATOM 760 CB LYS X 51 57.612 -2.559 2.637 1.00 0.00 C ATOM 761 CG LYS X 51 57.798 -2.413 1.131 1.00 0.00 C ATOM 762 CD LYS X 51 58.319 -3.689 0.472 1.00 0.00 C ATOM 763 CE LYS X 51 59.771 -3.983 0.835 1.00 0.00 C ATOM 764 NZ LYS X 51 59.907 -4.636 2.166 1.00 0.00 N ATOM 0 H LYS X 51 54.939 -2.574 2.480 1.00 0.00 H new ATOM 0 HA LYS X 51 57.073 -4.618 2.752 1.00 0.00 H new ATOM 0 HB2 LYS X 51 57.261 -1.610 3.043 1.00 0.00 H new ATOM 0 HB3 LYS X 51 58.581 -2.762 3.094 1.00 0.00 H new ATOM 0 HG2 LYS X 51 56.846 -2.138 0.677 1.00 0.00 H new ATOM 0 HG3 LYS X 51 58.493 -1.597 0.933 1.00 0.00 H new ATOM 0 HD2 LYS X 51 57.695 -4.530 0.773 1.00 0.00 H new ATOM 0 HD3 LYS X 51 58.230 -3.597 -0.610 1.00 0.00 H new ATOM 0 HE2 LYS X 51 60.209 -4.626 0.072 1.00 0.00 H new ATOM 0 HE3 LYS X 51 60.338 -3.052 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 60.638 -5.374 2.118 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 60.179 -3.925 2.875 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 58.999 -5.065 2.436 1.00 0.00 H new ATOM 778 N HIS X 52 55.281 -4.236 4.937 1.00 0.00 N ATOM 779 CA HIS X 52 54.834 -4.188 6.313 1.00 0.00 C ATOM 780 C HIS X 52 54.517 -5.595 6.803 1.00 0.00 C ATOM 781 O HIS X 52 53.794 -6.314 6.089 1.00 0.00 O ATOM 782 CB HIS X 52 53.597 -3.284 6.425 1.00 0.00 C ATOM 783 CG HIS X 52 53.127 -3.052 7.828 1.00 0.00 C ATOM 784 ND1 HIS X 52 52.571 -4.027 8.623 1.00 0.00 N ATOM 785 CD2 HIS X 52 53.142 -1.921 8.576 1.00 0.00 C ATOM 786 CE1 HIS X 52 52.270 -3.474 9.802 1.00 0.00 C ATOM 787 NE2 HIS X 52 52.597 -2.195 9.828 1.00 0.00 N ATOM 788 OXT HIS X 52 54.990 -5.970 7.890 1.00 0.00 O ATOM 0 H HIS X 52 54.671 -4.768 4.317 1.00 0.00 H new ATOM 0 HA HIS X 52 55.626 -3.774 6.938 1.00 0.00 H new ATOM 0 HB2 HIS X 52 53.822 -2.321 5.966 1.00 0.00 H new ATOM 0 HB3 HIS X 52 52.784 -3.728 5.851 1.00 0.00 H new ATOM 0 HD2 HIS X 52 53.517 -0.961 8.253 1.00 0.00 H new ATOM 0 HE1 HIS X 52 51.818 -4.005 10.627 1.00 0.00 H new ATOM 0 HE2 HIS X 52 52.476 -1.543 10.603 1.00 0.00 H new TER 796 HIS X 52