USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=15 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 16 GLN : amide:sc= -2.3 K(o=-4.5,f=-6.5!) USER MOD Set 1.2: X 17 MET CE :methyl -128:sc= -2.17 (180deg=-4.56!) USER MOD Single : X 1 GLY N :NH3+ -130:sc= 0.0454 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 13 SER OG : rot -83:sc= 0.475 USER MOD Single : X 15 SER OG : rot 180:sc= 0 USER MOD Single : X 19 SER OG : rot -34:sc= 0.108 USER MOD Single : X 20 MET CE :methyl 160:sc= -0.142 (180deg=-0.68) USER MOD Single : X 23 SER OG : rot 180:sc= -0.0236 USER MOD Single : X 30 THR OG1 : rot 180:sc= 0 USER MOD Single : X 34 GLN : amide:sc= 0.404 K(o=0.4,f=-2.5) USER MOD Single : X 35 THR OG1 : rot 85:sc= 1.22 USER MOD Single : X 36 LYS NZ :NH3+ 165:sc= -0.0854 (180deg=-0.379) USER MOD Single : X 37 ASN : amide:sc= -0.846 X(o=-0.85,f=-0.57) USER MOD Single : X 38 TYR OH : rot 180:sc= 0 USER MOD Single : X 46 THR OG1 : rot 78:sc= 2.06 USER MOD Single : X 48 GLN : amide:sc= -0.96 X(o=-0.96,f=-0.58) USER MOD Single : X 49 TYR OH : rot -26:sc= 0.765 USER MOD Single : X 50 SER OG : rot -32:sc= 0.713 USER MOD Single : X 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 52 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 19.645 8.110 -1.234 1.00 0.00 N ATOM 2 CA GLY X 1 20.298 7.578 -0.016 1.00 0.00 C ATOM 3 C GLY X 1 21.793 7.798 -0.041 1.00 0.00 C ATOM 4 O GLY X 1 22.275 8.734 -0.681 1.00 0.00 O ATOM 0 H1 GLY X 1 18.840 8.709 -0.962 1.00 0.00 H new ATOM 0 H2 GLY X 1 20.330 8.675 -1.776 1.00 0.00 H new ATOM 0 H3 GLY X 1 19.307 7.320 -1.820 1.00 0.00 H new ATOM 0 HA2 GLY X 1 19.874 8.061 0.864 1.00 0.00 H new ATOM 0 HA3 GLY X 1 20.089 6.512 0.073 1.00 0.00 H new ATOM 10 N SER X 2 22.536 6.932 0.635 1.00 0.00 N ATOM 11 CA SER X 2 23.987 7.039 0.662 1.00 0.00 C ATOM 12 C SER X 2 24.618 6.150 -0.402 1.00 0.00 C ATOM 13 O SER X 2 24.604 4.925 -0.282 1.00 0.00 O ATOM 14 CB SER X 2 24.513 6.654 2.043 1.00 0.00 C ATOM 15 OG SER X 2 23.881 7.423 3.053 1.00 0.00 O ATOM 0 H SER X 2 22.159 6.150 1.170 1.00 0.00 H new ATOM 0 HA SER X 2 24.258 8.073 0.449 1.00 0.00 H new ATOM 0 HB2 SER X 2 24.336 5.594 2.222 1.00 0.00 H new ATOM 0 HB3 SER X 2 25.591 6.808 2.083 1.00 0.00 H new ATOM 0 HG SER X 2 24.230 7.161 3.930 1.00 0.00 H new ATOM 21 N PRO X 3 25.199 6.755 -1.455 1.00 0.00 N ATOM 22 CA PRO X 3 25.861 6.005 -2.527 1.00 0.00 C ATOM 23 C PRO X 3 27.033 5.189 -1.990 1.00 0.00 C ATOM 24 O PRO X 3 27.755 5.651 -1.104 1.00 0.00 O ATOM 25 CB PRO X 3 26.356 7.095 -3.487 1.00 0.00 C ATOM 26 CG PRO X 3 25.569 8.313 -3.140 1.00 0.00 C ATOM 27 CD PRO X 3 25.279 8.210 -1.671 1.00 0.00 C ATOM 0 HA PRO X 3 25.194 5.288 -3.005 1.00 0.00 H new ATOM 0 HB2 PRO X 3 27.425 7.270 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO X 3 26.196 6.806 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO X 3 26.132 9.219 -3.365 1.00 0.00 H new ATOM 0 HG3 PRO X 3 24.646 8.360 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO X 3 26.066 8.665 -1.070 1.00 0.00 H new ATOM 0 HD3 PRO X 3 24.347 8.710 -1.407 1.00 0.00 H new ATOM 35 N PRO X 4 27.174 3.928 -2.439 1.00 0.00 N ATOM 36 CA PRO X 4 28.191 2.998 -1.914 1.00 0.00 C ATOM 37 C PRO X 4 29.631 3.374 -2.284 1.00 0.00 C ATOM 38 O PRO X 4 30.516 2.519 -2.308 1.00 0.00 O ATOM 39 CB PRO X 4 27.811 1.650 -2.542 1.00 0.00 C ATOM 40 CG PRO X 4 26.410 1.822 -3.026 1.00 0.00 C ATOM 41 CD PRO X 4 26.283 3.267 -3.403 1.00 0.00 C ATOM 0 HA PRO X 4 28.189 3.001 -0.824 1.00 0.00 H new ATOM 0 HB2 PRO X 4 28.482 1.395 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO X 4 27.879 0.843 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO X 4 26.209 1.176 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO X 4 25.693 1.556 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO X 4 26.594 3.447 -4.432 1.00 0.00 H new ATOM 0 HD3 PRO X 4 25.256 3.621 -3.314 1.00 0.00 H new ATOM 49 N GLU X 5 29.881 4.665 -2.446 1.00 0.00 N ATOM 50 CA GLU X 5 31.232 5.171 -2.658 1.00 0.00 C ATOM 51 C GLU X 5 31.415 6.475 -1.877 1.00 0.00 C ATOM 52 O GLU X 5 32.441 7.151 -1.973 1.00 0.00 O ATOM 53 CB GLU X 5 31.505 5.384 -4.155 1.00 0.00 C ATOM 54 CG GLU X 5 32.967 5.655 -4.483 1.00 0.00 C ATOM 55 CD GLU X 5 33.190 5.951 -5.943 1.00 0.00 C ATOM 56 OE1 GLU X 5 33.112 5.015 -6.759 1.00 0.00 O ATOM 57 OE2 GLU X 5 33.426 7.127 -6.278 1.00 0.00 O ATOM 0 H GLU X 5 29.161 5.387 -2.435 1.00 0.00 H new ATOM 0 HA GLU X 5 31.950 4.437 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU X 5 31.177 4.501 -4.703 1.00 0.00 H new ATOM 0 HB3 GLU X 5 30.902 6.220 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU X 5 33.318 6.498 -3.888 1.00 0.00 H new ATOM 0 HG3 GLU X 5 33.566 4.791 -4.196 1.00 0.00 H new ATOM 64 N ALA X 6 30.428 6.768 -1.043 1.00 0.00 N ATOM 65 CA ALA X 6 30.452 7.923 -0.158 1.00 0.00 C ATOM 66 C ALA X 6 29.633 7.608 1.082 1.00 0.00 C ATOM 67 O ALA X 6 29.151 8.494 1.787 1.00 0.00 O ATOM 68 CB ALA X 6 29.907 9.159 -0.858 1.00 0.00 C ATOM 0 H ALA X 6 29.581 6.206 -0.961 1.00 0.00 H new ATOM 0 HA ALA X 6 31.483 8.136 0.126 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.936 10.007 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA X 6 30.516 9.379 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.878 8.978 -1.167 1.00 0.00 H new ATOM 74 N ASP X 7 29.536 6.319 1.357 1.00 0.00 N ATOM 75 CA ASP X 7 28.849 5.815 2.529 1.00 0.00 C ATOM 76 C ASP X 7 29.821 5.852 3.690 1.00 0.00 C ATOM 77 O ASP X 7 31.004 5.664 3.468 1.00 0.00 O ATOM 78 CB ASP X 7 28.374 4.379 2.242 1.00 0.00 C ATOM 79 CG ASP X 7 27.717 3.693 3.418 1.00 0.00 C ATOM 80 OD1 ASP X 7 28.416 3.394 4.403 1.00 0.00 O ATOM 81 OD2 ASP X 7 26.502 3.432 3.348 1.00 0.00 O ATOM 0 H ASP X 7 29.935 5.589 0.768 1.00 0.00 H new ATOM 0 HA ASP X 7 27.977 6.420 2.776 1.00 0.00 H new ATOM 0 HB2 ASP X 7 27.670 4.401 1.410 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.229 3.784 1.921 1.00 0.00 H new ATOM 86 N PRO X 8 29.356 6.135 4.923 1.00 0.00 N ATOM 87 CA PRO X 8 30.224 6.234 6.112 1.00 0.00 C ATOM 88 C PRO X 8 31.308 5.146 6.180 1.00 0.00 C ATOM 89 O PRO X 8 32.373 5.352 6.763 1.00 0.00 O ATOM 90 CB PRO X 8 29.229 6.064 7.257 1.00 0.00 C ATOM 91 CG PRO X 8 27.953 6.644 6.744 1.00 0.00 C ATOM 92 CD PRO X 8 27.948 6.428 5.249 1.00 0.00 C ATOM 0 HA PRO X 8 30.787 7.167 6.124 1.00 0.00 H new ATOM 0 HB2 PRO X 8 29.107 5.014 7.522 1.00 0.00 H new ATOM 0 HB3 PRO X 8 29.566 6.583 8.154 1.00 0.00 H new ATOM 0 HG2 PRO X 8 27.094 6.160 7.208 1.00 0.00 H new ATOM 0 HG3 PRO X 8 27.887 7.706 6.982 1.00 0.00 H new ATOM 0 HD2 PRO X 8 27.294 5.603 4.968 1.00 0.00 H new ATOM 0 HD3 PRO X 8 27.592 7.312 4.720 1.00 0.00 H new ATOM 100 N ARG X 9 31.032 4.006 5.563 1.00 0.00 N ATOM 101 CA ARG X 9 31.971 2.892 5.522 1.00 0.00 C ATOM 102 C ARG X 9 33.006 3.041 4.403 1.00 0.00 C ATOM 103 O ARG X 9 34.170 2.689 4.581 1.00 0.00 O ATOM 104 CB ARG X 9 31.202 1.592 5.317 1.00 0.00 C ATOM 105 CG ARG X 9 30.238 1.271 6.445 1.00 0.00 C ATOM 106 CD ARG X 9 29.216 0.238 6.013 1.00 0.00 C ATOM 107 NE ARG X 9 28.372 0.740 4.931 1.00 0.00 N ATOM 108 CZ ARG X 9 27.459 0.006 4.301 1.00 0.00 C ATOM 109 NH1 ARG X 9 27.313 -1.277 4.601 1.00 0.00 N ATOM 110 NH2 ARG X 9 26.691 0.564 3.374 1.00 0.00 N ATOM 0 H ARG X 9 30.153 3.826 5.077 1.00 0.00 H new ATOM 0 HA ARG X 9 32.507 2.882 6.471 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.646 1.652 4.381 1.00 0.00 H new ATOM 0 HB3 ARG X 9 31.913 0.772 5.213 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.793 0.900 7.307 1.00 0.00 H new ATOM 0 HG3 ARG X 9 29.728 2.181 6.762 1.00 0.00 H new ATOM 0 HD2 ARG X 9 29.728 -0.667 5.687 1.00 0.00 H new ATOM 0 HD3 ARG X 9 28.593 -0.037 6.864 1.00 0.00 H new ATOM 0 HE ARG X 9 28.490 1.711 4.642 1.00 0.00 H new ATOM 0 HH11 ARG X 9 27.902 -1.704 5.317 1.00 0.00 H new ATOM 0 HH12 ARG X 9 26.612 -1.838 4.116 1.00 0.00 H new ATOM 0 HH21 ARG X 9 26.802 1.552 3.147 1.00 0.00 H new ATOM 0 HH22 ARG X 9 25.990 0.005 2.888 1.00 0.00 H new ATOM 124 N LEU X 10 32.564 3.465 3.220 1.00 0.00 N ATOM 125 CA LEU X 10 33.436 3.533 2.058 1.00 0.00 C ATOM 126 C LEU X 10 33.984 4.932 1.854 1.00 0.00 C ATOM 127 O LEU X 10 35.044 5.092 1.279 1.00 0.00 O ATOM 128 CB LEU X 10 32.707 3.063 0.798 1.00 0.00 C ATOM 129 CG LEU X 10 32.169 1.634 0.870 1.00 0.00 C ATOM 130 CD1 LEU X 10 30.688 1.626 1.215 1.00 0.00 C ATOM 131 CD2 LEU X 10 32.420 0.896 -0.433 1.00 0.00 C ATOM 0 H LEU X 10 31.605 3.766 3.045 1.00 0.00 H new ATOM 0 HA LEU X 10 34.276 2.864 2.245 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.876 3.741 0.601 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.388 3.139 -0.050 1.00 0.00 H new ATOM 0 HG LEU X 10 32.704 1.114 1.665 1.00 0.00 H new ATOM 0 HD11 LEU X 10 30.330 0.597 1.260 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.537 2.105 2.182 1.00 0.00 H new ATOM 0 HD13 LEU X 10 30.133 2.170 0.450 1.00 0.00 H new ATOM 0 HD21 LEU X 10 32.029 -0.119 -0.358 1.00 0.00 H new ATOM 0 HD22 LEU X 10 31.920 1.418 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU X 10 33.492 0.858 -0.629 1.00 0.00 H new ATOM 143 N ILE X 11 33.368 5.923 2.479 1.00 0.00 N ATOM 144 CA ILE X 11 33.950 7.253 2.501 1.00 0.00 C ATOM 145 C ILE X 11 35.130 7.233 3.466 1.00 0.00 C ATOM 146 O ILE X 11 36.001 8.102 3.447 1.00 0.00 O ATOM 147 CB ILE X 11 32.924 8.339 2.917 1.00 0.00 C ATOM 148 CG1 ILE X 11 33.465 9.738 2.607 1.00 0.00 C ATOM 149 CG2 ILE X 11 32.577 8.226 4.395 1.00 0.00 C ATOM 150 CD1 ILE X 11 32.517 10.850 2.996 1.00 0.00 C ATOM 0 H ILE X 11 32.479 5.834 2.970 1.00 0.00 H new ATOM 0 HA ILE X 11 34.278 7.513 1.494 1.00 0.00 H new ATOM 0 HB ILE X 11 32.014 8.178 2.339 1.00 0.00 H new ATOM 0 HG12 ILE X 11 34.411 9.878 3.130 1.00 0.00 H new ATOM 0 HG13 ILE X 11 33.678 9.809 1.540 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.856 8.999 4.660 1.00 0.00 H new ATOM 0 HG22 ILE X 11 32.146 7.245 4.594 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.480 8.353 4.992 1.00 0.00 H new ATOM 0 HD11 ILE X 11 32.964 11.813 2.748 1.00 0.00 H new ATOM 0 HD12 ILE X 11 31.579 10.735 2.453 1.00 0.00 H new ATOM 0 HD13 ILE X 11 32.324 10.805 4.068 1.00 0.00 H new ATOM 162 N GLU X 12 35.188 6.154 4.240 1.00 0.00 N ATOM 163 CA GLU X 12 36.292 5.900 5.145 1.00 0.00 C ATOM 164 C GLU X 12 37.349 5.019 4.477 1.00 0.00 C ATOM 165 O GLU X 12 38.546 5.259 4.620 1.00 0.00 O ATOM 166 CB GLU X 12 35.777 5.217 6.417 1.00 0.00 C ATOM 167 CG GLU X 12 36.811 5.110 7.527 1.00 0.00 C ATOM 168 CD GLU X 12 37.203 6.459 8.073 1.00 0.00 C ATOM 169 OE1 GLU X 12 36.322 7.160 8.602 1.00 0.00 O ATOM 170 OE2 GLU X 12 38.385 6.830 7.959 1.00 0.00 O ATOM 0 H GLU X 12 34.467 5.433 4.254 1.00 0.00 H new ATOM 0 HA GLU X 12 36.750 6.854 5.405 1.00 0.00 H new ATOM 0 HB2 GLU X 12 34.915 5.770 6.790 1.00 0.00 H new ATOM 0 HB3 GLU X 12 35.428 4.216 6.163 1.00 0.00 H new ATOM 0 HG2 GLU X 12 36.413 4.495 8.334 1.00 0.00 H new ATOM 0 HG3 GLU X 12 37.698 4.602 7.147 1.00 0.00 H new ATOM 177 N SER X 13 36.906 3.906 3.895 1.00 0.00 N ATOM 178 CA SER X 13 37.829 2.892 3.391 1.00 0.00 C ATOM 179 C SER X 13 38.147 3.038 1.897 1.00 0.00 C ATOM 180 O SER X 13 39.253 2.718 1.466 1.00 0.00 O ATOM 181 CB SER X 13 37.260 1.499 3.663 1.00 0.00 C ATOM 182 OG SER X 13 35.947 1.372 3.140 1.00 0.00 O ATOM 0 H SER X 13 35.919 3.685 3.761 1.00 0.00 H new ATOM 0 HA SER X 13 38.769 3.036 3.923 1.00 0.00 H new ATOM 0 HB2 SER X 13 37.907 0.745 3.216 1.00 0.00 H new ATOM 0 HB3 SER X 13 37.247 1.312 4.737 1.00 0.00 H new ATOM 0 HG SER X 13 35.304 1.749 3.776 1.00 0.00 H new ATOM 188 N LEU X 14 37.184 3.483 1.103 1.00 0.00 N ATOM 189 CA LEU X 14 37.387 3.616 -0.326 1.00 0.00 C ATOM 190 C LEU X 14 37.838 5.027 -0.622 1.00 0.00 C ATOM 191 O LEU X 14 38.751 5.252 -1.415 1.00 0.00 O ATOM 192 CB LEU X 14 36.084 3.280 -1.073 1.00 0.00 C ATOM 193 CG LEU X 14 36.208 3.011 -2.580 1.00 0.00 C ATOM 194 CD1 LEU X 14 34.965 2.302 -3.090 1.00 0.00 C ATOM 195 CD2 LEU X 14 36.415 4.301 -3.361 1.00 0.00 C ATOM 0 H LEU X 14 36.256 3.757 1.427 1.00 0.00 H new ATOM 0 HA LEU X 14 38.154 2.920 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.639 2.402 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.386 4.105 -0.930 1.00 0.00 H new ATOM 0 HG LEU X 14 37.080 2.375 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU X 14 35.065 2.117 -4.160 1.00 0.00 H new ATOM 0 HD12 LEU X 14 34.847 1.353 -2.567 1.00 0.00 H new ATOM 0 HD13 LEU X 14 34.090 2.927 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU X 14 36.499 4.073 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU X 14 35.566 4.965 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU X 14 37.328 4.789 -3.021 1.00 0.00 H new ATOM 207 N SER X 15 37.168 5.984 0.006 1.00 0.00 N ATOM 208 CA SER X 15 37.477 7.381 -0.216 1.00 0.00 C ATOM 209 C SER X 15 38.867 7.724 0.318 1.00 0.00 C ATOM 210 O SER X 15 39.512 8.651 -0.170 1.00 0.00 O ATOM 211 CB SER X 15 36.414 8.290 0.413 1.00 0.00 C ATOM 212 OG SER X 15 36.584 9.643 0.016 1.00 0.00 O ATOM 0 H SER X 15 36.412 5.815 0.669 1.00 0.00 H new ATOM 0 HA SER X 15 37.473 7.555 -1.292 1.00 0.00 H new ATOM 0 HB2 SER X 15 35.422 7.946 0.122 1.00 0.00 H new ATOM 0 HB3 SER X 15 36.470 8.219 1.499 1.00 0.00 H new ATOM 0 HG SER X 15 35.890 10.196 0.433 1.00 0.00 H new ATOM 218 N GLN X 16 39.361 6.905 1.249 1.00 0.00 N ATOM 219 CA GLN X 16 40.719 7.053 1.764 1.00 0.00 C ATOM 220 C GLN X 16 41.727 6.998 0.623 1.00 0.00 C ATOM 221 O GLN X 16 42.552 7.899 0.464 1.00 0.00 O ATOM 222 CB GLN X 16 41.009 5.955 2.805 1.00 0.00 C ATOM 223 CG GLN X 16 42.467 5.847 3.246 1.00 0.00 C ATOM 224 CD GLN X 16 43.294 4.967 2.323 1.00 0.00 C ATOM 225 OE1 GLN X 16 42.891 3.853 1.998 1.00 0.00 O ATOM 226 NE2 GLN X 16 44.445 5.460 1.890 1.00 0.00 N ATOM 0 H GLN X 16 38.838 6.132 1.661 1.00 0.00 H new ATOM 0 HA GLN X 16 40.811 8.024 2.251 1.00 0.00 H new ATOM 0 HB2 GLN X 16 40.392 6.139 3.685 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.698 4.995 2.393 1.00 0.00 H new ATOM 0 HG2 GLN X 16 42.907 6.844 3.282 1.00 0.00 H new ATOM 0 HG3 GLN X 16 42.508 5.444 4.258 1.00 0.00 H new ATOM 0 HE21 GLN X 16 44.744 6.390 2.183 1.00 0.00 H new ATOM 0 HE22 GLN X 16 45.032 4.910 1.263 1.00 0.00 H new ATOM 235 N MET X 17 41.677 5.923 -0.154 1.00 0.00 N ATOM 236 CA MET X 17 42.613 5.745 -1.249 1.00 0.00 C ATOM 237 C MET X 17 42.184 6.550 -2.467 1.00 0.00 C ATOM 238 O MET X 17 43.023 6.969 -3.265 1.00 0.00 O ATOM 239 CB MET X 17 42.757 4.261 -1.600 1.00 0.00 C ATOM 240 CG MET X 17 41.473 3.602 -2.082 1.00 0.00 C ATOM 241 SD MET X 17 41.664 1.829 -2.330 1.00 0.00 S ATOM 242 CE MET X 17 41.984 1.293 -0.652 1.00 0.00 C ATOM 0 H MET X 17 41.001 5.167 -0.045 1.00 0.00 H new ATOM 0 HA MET X 17 43.586 6.116 -0.927 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.518 4.155 -2.373 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.118 3.726 -0.722 1.00 0.00 H new ATOM 0 HG2 MET X 17 40.681 3.781 -1.355 1.00 0.00 H new ATOM 0 HG3 MET X 17 41.159 4.065 -3.017 1.00 0.00 H new ATOM 0 HE1 MET X 17 42.890 0.688 -0.630 1.00 0.00 H new ATOM 0 HE2 MET X 17 42.114 2.164 -0.010 1.00 0.00 H new ATOM 0 HE3 MET X 17 41.143 0.700 -0.293 1.00 0.00 H new ATOM 252 N LEU X 18 40.881 6.800 -2.590 1.00 0.00 N ATOM 253 CA LEU X 18 40.360 7.595 -3.699 1.00 0.00 C ATOM 254 C LEU X 18 40.872 9.031 -3.618 1.00 0.00 C ATOM 255 O LEU X 18 41.014 9.712 -4.633 1.00 0.00 O ATOM 256 CB LEU X 18 38.827 7.582 -3.687 1.00 0.00 C ATOM 257 CG LEU X 18 38.152 8.205 -4.911 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.526 7.445 -6.174 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.640 8.224 -4.732 1.00 0.00 C ATOM 0 H LEU X 18 40.171 6.465 -1.939 1.00 0.00 H new ATOM 0 HA LEU X 18 40.710 7.154 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.491 6.549 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.484 8.109 -2.797 1.00 0.00 H new ATOM 0 HG LEU X 18 38.503 9.232 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.036 7.903 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.607 7.478 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.204 6.408 -6.083 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.175 8.670 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.276 7.204 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.385 8.811 -3.850 1.00 0.00 H new ATOM 271 N SER X 19 41.130 9.490 -2.402 1.00 0.00 N ATOM 272 CA SER X 19 41.608 10.848 -2.181 1.00 0.00 C ATOM 273 C SER X 19 43.133 10.882 -2.098 1.00 0.00 C ATOM 274 O SER X 19 43.740 11.951 -2.119 1.00 0.00 O ATOM 275 CB SER X 19 40.999 11.406 -0.891 1.00 0.00 C ATOM 276 OG SER X 19 41.245 12.798 -0.755 1.00 0.00 O ATOM 0 H SER X 19 41.016 8.940 -1.550 1.00 0.00 H new ATOM 0 HA SER X 19 41.299 11.466 -3.024 1.00 0.00 H new ATOM 0 HB2 SER X 19 39.924 11.224 -0.887 1.00 0.00 H new ATOM 0 HB3 SER X 19 41.415 10.877 -0.033 1.00 0.00 H new ATOM 0 HG SER X 19 42.121 13.014 -1.138 1.00 0.00 H new ATOM 282 N MET X 20 43.748 9.713 -1.940 1.00 0.00 N ATOM 283 CA MET X 20 45.195 9.639 -1.780 1.00 0.00 C ATOM 284 C MET X 20 45.884 9.350 -3.115 1.00 0.00 C ATOM 285 O MET X 20 47.010 9.794 -3.347 1.00 0.00 O ATOM 286 CB MET X 20 45.551 8.560 -0.755 1.00 0.00 C ATOM 287 CG MET X 20 46.951 8.701 -0.178 1.00 0.00 C ATOM 288 SD MET X 20 47.190 10.263 0.691 1.00 0.00 S ATOM 289 CE MET X 20 45.934 10.147 1.963 1.00 0.00 C ATOM 0 H MET X 20 43.271 8.812 -1.920 1.00 0.00 H new ATOM 0 HA MET X 20 45.550 10.605 -1.422 1.00 0.00 H new ATOM 0 HB2 MET X 20 44.827 8.593 0.059 1.00 0.00 H new ATOM 0 HB3 MET X 20 45.458 7.581 -1.225 1.00 0.00 H new ATOM 0 HG2 MET X 20 47.142 7.875 0.508 1.00 0.00 H new ATOM 0 HG3 MET X 20 47.681 8.622 -0.983 1.00 0.00 H new ATOM 0 HE1 MET X 20 46.174 10.833 2.775 1.00 0.00 H new ATOM 0 HE2 MET X 20 44.964 10.409 1.541 1.00 0.00 H new ATOM 0 HE3 MET X 20 45.899 9.128 2.348 1.00 0.00 H new ATOM 299 N GLY X 21 45.214 8.597 -3.981 1.00 0.00 N ATOM 300 CA GLY X 21 45.793 8.253 -5.268 1.00 0.00 C ATOM 301 C GLY X 21 46.060 6.771 -5.387 1.00 0.00 C ATOM 302 O GLY X 21 47.064 6.352 -5.962 1.00 0.00 O ATOM 0 H GLY X 21 44.281 8.219 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.118 8.566 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.725 8.802 -5.405 1.00 0.00 H new ATOM 306 N PHE X 22 45.152 5.971 -4.841 1.00 0.00 N ATOM 307 CA PHE X 22 45.274 4.530 -4.880 1.00 0.00 C ATOM 308 C PHE X 22 43.923 3.945 -5.235 1.00 0.00 C ATOM 309 O PHE X 22 42.903 4.622 -5.100 1.00 0.00 O ATOM 310 CB PHE X 22 45.752 3.981 -3.527 1.00 0.00 C ATOM 311 CG PHE X 22 47.099 4.502 -3.096 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.241 5.775 -2.570 1.00 0.00 C ATOM 313 CD2 PHE X 22 48.224 3.717 -3.236 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.482 6.251 -2.192 1.00 0.00 C ATOM 315 CE2 PHE X 22 49.465 4.185 -2.860 1.00 0.00 C ATOM 316 CZ PHE X 22 49.597 5.451 -2.339 1.00 0.00 C ATOM 0 H PHE X 22 44.316 6.307 -4.362 1.00 0.00 H new ATOM 0 HA PHE X 22 46.014 4.249 -5.629 1.00 0.00 H new ATOM 0 HB2 PHE X 22 45.015 4.232 -2.764 1.00 0.00 H new ATOM 0 HB3 PHE X 22 45.795 2.893 -3.583 1.00 0.00 H new ATOM 0 HD1 PHE X 22 46.371 6.404 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE X 22 48.132 2.722 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE X 22 48.579 7.246 -1.783 1.00 0.00 H new ATOM 0 HE2 PHE X 22 50.335 3.556 -2.975 1.00 0.00 H new ATOM 0 HZ PHE X 22 50.570 5.818 -2.046 1.00 0.00 H new ATOM 326 N SER X 23 43.907 2.709 -5.694 1.00 0.00 N ATOM 327 CA SER X 23 42.656 2.074 -6.076 1.00 0.00 C ATOM 328 C SER X 23 42.756 0.567 -5.893 1.00 0.00 C ATOM 329 O SER X 23 43.708 0.077 -5.286 1.00 0.00 O ATOM 330 CB SER X 23 42.310 2.394 -7.538 1.00 0.00 C ATOM 331 OG SER X 23 42.198 3.792 -7.755 1.00 0.00 O ATOM 0 H SER X 23 44.736 2.127 -5.812 1.00 0.00 H new ATOM 0 HA SER X 23 41.866 2.464 -5.435 1.00 0.00 H new ATOM 0 HB2 SER X 23 43.079 1.984 -8.192 1.00 0.00 H new ATOM 0 HB3 SER X 23 41.372 1.908 -7.805 1.00 0.00 H new ATOM 0 HG SER X 23 41.979 3.961 -8.695 1.00 0.00 H new ATOM 337 N ASP X 24 41.855 -0.172 -6.533 1.00 0.00 N ATOM 338 CA ASP X 24 41.944 -1.624 -6.545 1.00 0.00 C ATOM 339 C ASP X 24 43.140 -2.065 -7.375 1.00 0.00 C ATOM 340 O ASP X 24 43.229 -1.765 -8.566 1.00 0.00 O ATOM 341 CB ASP X 24 40.657 -2.258 -7.096 1.00 0.00 C ATOM 342 CG ASP X 24 40.303 -1.798 -8.495 1.00 0.00 C ATOM 343 OD1 ASP X 24 40.064 -0.589 -8.688 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.259 -2.651 -9.404 1.00 0.00 O ATOM 0 H ASP X 24 41.061 0.210 -7.046 1.00 0.00 H new ATOM 0 HA ASP X 24 42.073 -1.963 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP X 24 40.768 -3.342 -7.097 1.00 0.00 H new ATOM 0 HB3 ASP X 24 39.830 -2.023 -6.426 1.00 0.00 H new ATOM 349 N GLU X 25 44.058 -2.783 -6.753 1.00 0.00 N ATOM 350 CA GLU X 25 45.230 -3.267 -7.464 1.00 0.00 C ATOM 351 C GLU X 25 45.050 -4.745 -7.784 1.00 0.00 C ATOM 352 O GLU X 25 45.811 -5.596 -7.331 1.00 0.00 O ATOM 353 CB GLU X 25 46.495 -3.037 -6.632 1.00 0.00 C ATOM 354 CG GLU X 25 47.765 -2.948 -7.463 1.00 0.00 C ATOM 355 CD GLU X 25 49.001 -2.813 -6.607 1.00 0.00 C ATOM 356 OE1 GLU X 25 49.312 -3.762 -5.866 1.00 0.00 O ATOM 357 OE2 GLU X 25 49.656 -1.757 -6.668 1.00 0.00 O ATOM 0 H GLU X 25 44.017 -3.042 -5.767 1.00 0.00 H new ATOM 0 HA GLU X 25 45.342 -2.714 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU X 25 46.380 -2.116 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.598 -3.849 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU X 25 47.852 -3.838 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU X 25 47.697 -2.094 -8.136 1.00 0.00 H new ATOM 364 N GLY X 26 43.983 -5.043 -8.509 1.00 0.00 N ATOM 365 CA GLY X 26 43.650 -6.419 -8.820 1.00 0.00 C ATOM 366 C GLY X 26 42.152 -6.655 -8.867 1.00 0.00 C ATOM 367 O GLY X 26 41.701 -7.739 -9.243 1.00 0.00 O ATOM 0 H GLY X 26 43.337 -4.352 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.088 -6.688 -9.781 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.095 -7.076 -8.073 1.00 0.00 H new ATOM 371 N GLY X 27 41.380 -5.649 -8.463 1.00 0.00 N ATOM 372 CA GLY X 27 39.935 -5.774 -8.438 1.00 0.00 C ATOM 373 C GLY X 27 39.427 -6.142 -7.066 1.00 0.00 C ATOM 374 O GLY X 27 38.316 -6.646 -6.919 1.00 0.00 O ATOM 0 H GLY X 27 41.734 -4.745 -8.151 1.00 0.00 H new ATOM 0 HA2 GLY X 27 39.484 -4.833 -8.752 1.00 0.00 H new ATOM 0 HA3 GLY X 27 39.624 -6.532 -9.156 1.00 0.00 H new ATOM 378 N TRP X 28 40.286 -5.980 -6.068 1.00 0.00 N ATOM 379 CA TRP X 28 39.966 -6.398 -4.714 1.00 0.00 C ATOM 380 C TRP X 28 39.418 -5.259 -3.857 1.00 0.00 C ATOM 381 O TRP X 28 39.076 -5.484 -2.707 1.00 0.00 O ATOM 382 CB TRP X 28 41.203 -6.987 -4.028 1.00 0.00 C ATOM 383 CG TRP X 28 42.400 -6.089 -4.095 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.464 -6.203 -4.938 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.638 -4.918 -3.307 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.353 -5.186 -4.710 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.865 -4.378 -3.722 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.928 -4.276 -2.288 1.00 0.00 C ATOM 389 CZ2 TRP X 28 44.393 -3.226 -3.157 1.00 0.00 C ATOM 390 CZ3 TRP X 28 42.450 -3.135 -1.728 1.00 0.00 C ATOM 391 CH2 TRP X 28 43.671 -2.617 -2.164 1.00 0.00 C ATOM 0 H TRP X 28 41.210 -5.561 -6.173 1.00 0.00 H new ATOM 0 HA TRP X 28 39.187 -7.155 -4.804 1.00 0.00 H new ATOM 0 HB2 TRP X 28 40.968 -7.191 -2.983 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.447 -7.942 -4.492 1.00 0.00 H new ATOM 0 HD1 TRP X 28 43.588 -6.981 -5.677 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.238 -5.053 -5.200 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.983 -4.671 -1.946 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 45.339 -2.824 -3.488 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.909 -2.632 -0.940 1.00 0.00 H new ATOM 0 HH2 TRP X 28 44.055 -1.716 -1.709 1.00 0.00 H new ATOM 402 N LEU X 29 39.424 -4.025 -4.355 1.00 0.00 N ATOM 403 CA LEU X 29 39.008 -2.889 -3.523 1.00 0.00 C ATOM 404 C LEU X 29 37.570 -3.066 -3.027 1.00 0.00 C ATOM 405 O LEU X 29 37.238 -2.653 -1.917 1.00 0.00 O ATOM 406 CB LEU X 29 39.211 -1.555 -4.263 1.00 0.00 C ATOM 407 CG LEU X 29 38.302 -0.394 -3.843 1.00 0.00 C ATOM 408 CD1 LEU X 29 38.670 0.112 -2.459 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.386 0.732 -4.858 1.00 0.00 C ATOM 0 H LEU X 29 39.704 -3.785 -5.306 1.00 0.00 H new ATOM 0 HA LEU X 29 39.647 -2.862 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.247 -1.244 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU X 29 39.069 -1.731 -5.329 1.00 0.00 H new ATOM 0 HG LEU X 29 37.276 -0.760 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU X 29 38.010 0.935 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU X 29 38.562 -0.696 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU X 29 39.703 0.460 -2.462 1.00 0.00 H new ATOM 0 HD21 LEU X 29 37.736 1.550 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU X 29 39.414 1.089 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.068 0.366 -5.834 1.00 0.00 H new ATOM 421 N THR X 30 36.774 -3.836 -3.753 1.00 0.00 N ATOM 422 CA THR X 30 35.463 -4.221 -3.254 1.00 0.00 C ATOM 423 C THR X 30 35.528 -5.575 -2.536 1.00 0.00 C ATOM 424 O THR X 30 34.902 -5.766 -1.495 1.00 0.00 O ATOM 425 CB THR X 30 34.443 -4.255 -4.394 1.00 0.00 C ATOM 426 OG1 THR X 30 34.900 -5.067 -5.463 1.00 0.00 O ATOM 427 CG2 THR X 30 34.138 -2.883 -4.955 1.00 0.00 C ATOM 0 H THR X 30 37.008 -4.202 -4.676 1.00 0.00 H new ATOM 0 HA THR X 30 35.139 -3.473 -2.530 1.00 0.00 H new ATOM 0 HB THR X 30 33.534 -4.666 -3.956 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.230 -5.074 -6.178 1.00 0.00 H new ATOM 0 HG21 THR X 30 33.409 -2.973 -5.760 1.00 0.00 H new ATOM 0 HG22 THR X 30 33.732 -2.249 -4.166 1.00 0.00 H new ATOM 0 HG23 THR X 30 35.054 -2.437 -5.343 1.00 0.00 H new ATOM 435 N ARG X 31 36.299 -6.508 -3.094 1.00 0.00 N ATOM 436 CA ARG X 31 36.454 -7.847 -2.510 1.00 0.00 C ATOM 437 C ARG X 31 37.049 -7.775 -1.103 1.00 0.00 C ATOM 438 O ARG X 31 36.415 -8.169 -0.124 1.00 0.00 O ATOM 439 CB ARG X 31 37.376 -8.709 -3.381 1.00 0.00 C ATOM 440 CG ARG X 31 37.146 -8.575 -4.878 1.00 0.00 C ATOM 441 CD ARG X 31 35.794 -9.112 -5.305 1.00 0.00 C ATOM 442 NE ARG X 31 35.562 -10.466 -4.799 1.00 0.00 N ATOM 443 CZ ARG X 31 34.513 -11.217 -5.126 1.00 0.00 C ATOM 444 NH1 ARG X 31 33.612 -10.768 -5.988 1.00 0.00 N ATOM 445 NH2 ARG X 31 34.372 -12.420 -4.589 1.00 0.00 N ATOM 0 H ARG X 31 36.829 -6.364 -3.953 1.00 0.00 H new ATOM 0 HA ARG X 31 35.460 -8.292 -2.459 1.00 0.00 H new ATOM 0 HB2 ARG X 31 38.411 -8.446 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG X 31 37.246 -9.754 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG X 31 37.223 -7.526 -5.162 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.931 -9.109 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG X 31 35.009 -8.449 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG X 31 35.731 -9.115 -6.393 1.00 0.00 H new ATOM 0 HE ARG X 31 36.248 -10.859 -4.155 1.00 0.00 H new ATOM 0 HH11 ARG X 31 33.721 -9.843 -6.404 1.00 0.00 H new ATOM 0 HH12 ARG X 31 32.810 -11.347 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG X 31 35.066 -12.768 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG X 31 33.569 -12.998 -4.837 1.00 0.00 H new ATOM 459 N LEU X 32 38.288 -7.297 -1.039 1.00 0.00 N ATOM 460 CA LEU X 32 39.049 -7.180 0.202 1.00 0.00 C ATOM 461 C LEU X 32 38.260 -6.408 1.253 1.00 0.00 C ATOM 462 O LEU X 32 38.036 -6.903 2.357 1.00 0.00 O ATOM 463 CB LEU X 32 40.382 -6.464 -0.102 1.00 0.00 C ATOM 464 CG LEU X 32 41.508 -6.584 0.936 1.00 0.00 C ATOM 465 CD1 LEU X 32 41.192 -5.803 2.200 1.00 0.00 C ATOM 466 CD2 LEU X 32 41.786 -8.039 1.259 1.00 0.00 C ATOM 0 H LEU X 32 38.800 -6.975 -1.860 1.00 0.00 H new ATOM 0 HA LEU X 32 39.245 -8.175 0.601 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.759 -6.845 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.169 -5.405 -0.245 1.00 0.00 H new ATOM 0 HG LEU X 32 42.406 -6.148 0.498 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.012 -5.912 2.910 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.063 -4.749 1.954 1.00 0.00 H new ATOM 0 HD13 LEU X 32 40.274 -6.186 2.645 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.587 -8.102 1.996 1.00 0.00 H new ATOM 0 HD22 LEU X 32 40.885 -8.501 1.662 1.00 0.00 H new ATOM 0 HD23 LEU X 32 42.087 -8.562 0.351 1.00 0.00 H new ATOM 478 N LEU X 33 37.931 -5.159 0.933 1.00 0.00 N ATOM 479 CA LEU X 33 37.273 -4.266 1.884 1.00 0.00 C ATOM 480 C LEU X 33 36.005 -4.872 2.464 1.00 0.00 C ATOM 481 O LEU X 33 35.945 -5.124 3.660 1.00 0.00 O ATOM 482 CB LEU X 33 36.954 -2.915 1.244 1.00 0.00 C ATOM 483 CG LEU X 33 38.085 -1.880 1.290 1.00 0.00 C ATOM 484 CD1 LEU X 33 39.274 -2.329 0.458 1.00 0.00 C ATOM 485 CD2 LEU X 33 37.583 -0.530 0.806 1.00 0.00 C ATOM 0 H LEU X 33 38.110 -4.741 0.020 1.00 0.00 H new ATOM 0 HA LEU X 33 37.977 -4.116 2.702 1.00 0.00 H new ATOM 0 HB2 LEU X 33 36.680 -3.082 0.202 1.00 0.00 H new ATOM 0 HB3 LEU X 33 36.080 -2.495 1.741 1.00 0.00 H new ATOM 0 HG LEU X 33 38.414 -1.785 2.325 1.00 0.00 H new ATOM 0 HD11 LEU X 33 40.060 -1.575 0.510 1.00 0.00 H new ATOM 0 HD12 LEU X 33 39.653 -3.275 0.845 1.00 0.00 H new ATOM 0 HD13 LEU X 33 38.964 -2.459 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU X 33 38.396 0.195 0.844 1.00 0.00 H new ATOM 0 HD22 LEU X 33 37.225 -0.621 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU X 33 36.767 -0.194 1.446 1.00 0.00 H new ATOM 497 N GLN X 34 34.977 -5.039 1.633 1.00 0.00 N ATOM 498 CA GLN X 34 33.679 -5.541 2.097 1.00 0.00 C ATOM 499 C GLN X 34 33.812 -6.783 2.979 1.00 0.00 C ATOM 500 O GLN X 34 33.173 -6.874 4.026 1.00 0.00 O ATOM 501 CB GLN X 34 32.759 -5.847 0.913 1.00 0.00 C ATOM 502 CG GLN X 34 31.944 -4.651 0.435 1.00 0.00 C ATOM 503 CD GLN X 34 32.628 -3.844 -0.648 1.00 0.00 C ATOM 504 OE1 GLN X 34 32.588 -4.210 -1.821 1.00 0.00 O ATOM 505 NE2 GLN X 34 33.265 -2.749 -0.264 1.00 0.00 N ATOM 0 H GLN X 34 35.015 -4.835 0.634 1.00 0.00 H new ATOM 0 HA GLN X 34 33.241 -4.749 2.704 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.362 -6.217 0.084 1.00 0.00 H new ATOM 0 HB3 GLN X 34 32.077 -6.649 1.194 1.00 0.00 H new ATOM 0 HG2 GLN X 34 30.983 -5.003 0.061 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.737 -4.001 1.285 1.00 0.00 H new ATOM 0 HE21 GLN X 34 33.273 -2.482 0.720 1.00 0.00 H new ATOM 0 HE22 GLN X 34 33.748 -2.172 -0.953 1.00 0.00 H new ATOM 514 N THR X 35 34.617 -7.743 2.550 1.00 0.00 N ATOM 515 CA THR X 35 34.790 -8.982 3.302 1.00 0.00 C ATOM 516 C THR X 35 35.495 -8.736 4.642 1.00 0.00 C ATOM 517 O THR X 35 35.207 -9.406 5.638 1.00 0.00 O ATOM 518 CB THR X 35 35.567 -9.989 2.452 1.00 0.00 C ATOM 519 OG1 THR X 35 34.976 -10.102 1.167 1.00 0.00 O ATOM 520 CG2 THR X 35 35.619 -11.377 3.050 1.00 0.00 C ATOM 0 H THR X 35 35.160 -7.691 1.688 1.00 0.00 H new ATOM 0 HA THR X 35 33.805 -9.389 3.531 1.00 0.00 H new ATOM 0 HB THR X 35 36.584 -9.601 2.400 1.00 0.00 H new ATOM 0 HG1 THR X 35 35.320 -9.393 0.585 1.00 0.00 H new ATOM 0 HG21 THR X 35 36.186 -12.036 2.392 1.00 0.00 H new ATOM 0 HG22 THR X 35 36.103 -11.335 4.026 1.00 0.00 H new ATOM 0 HG23 THR X 35 34.606 -11.762 3.164 1.00 0.00 H new ATOM 528 N LYS X 36 36.398 -7.761 4.674 1.00 0.00 N ATOM 529 CA LYS X 36 37.117 -7.418 5.901 1.00 0.00 C ATOM 530 C LYS X 36 36.453 -6.261 6.650 1.00 0.00 C ATOM 531 O LYS X 36 37.128 -5.546 7.389 1.00 0.00 O ATOM 532 CB LYS X 36 38.572 -7.045 5.592 1.00 0.00 C ATOM 533 CG LYS X 36 39.531 -8.228 5.548 1.00 0.00 C ATOM 534 CD LYS X 36 39.263 -9.144 4.366 1.00 0.00 C ATOM 535 CE LYS X 36 40.246 -10.302 4.334 1.00 0.00 C ATOM 536 NZ LYS X 36 40.200 -11.093 5.591 1.00 0.00 N ATOM 0 H LYS X 36 36.651 -7.193 3.865 1.00 0.00 H new ATOM 0 HA LYS X 36 37.090 -8.302 6.538 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.606 -6.530 4.632 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.921 -6.338 6.345 1.00 0.00 H new ATOM 0 HG2 LYS X 36 40.556 -7.860 5.495 1.00 0.00 H new ATOM 0 HG3 LYS X 36 39.444 -8.798 6.473 1.00 0.00 H new ATOM 0 HD2 LYS X 36 38.245 -9.529 4.425 1.00 0.00 H new ATOM 0 HD3 LYS X 36 39.336 -8.576 3.439 1.00 0.00 H new ATOM 0 HE2 LYS X 36 40.019 -10.950 3.487 1.00 0.00 H new ATOM 0 HE3 LYS X 36 41.255 -9.919 4.181 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 40.681 -12.004 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 40.678 -10.567 6.350 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 39.209 -11.263 5.858 1.00 0.00 H new ATOM 550 N ASN X 37 35.143 -6.085 6.470 1.00 0.00 N ATOM 551 CA ASN X 37 34.399 -5.013 7.152 1.00 0.00 C ATOM 552 C ASN X 37 34.915 -3.632 6.723 1.00 0.00 C ATOM 553 O ASN X 37 35.226 -2.779 7.556 1.00 0.00 O ATOM 554 CB ASN X 37 34.491 -5.186 8.681 1.00 0.00 C ATOM 555 CG ASN X 37 33.754 -4.108 9.455 1.00 0.00 C ATOM 556 OD1 ASN X 37 32.528 -4.013 9.403 1.00 0.00 O ATOM 557 ND2 ASN X 37 34.512 -3.280 10.167 1.00 0.00 N ATOM 0 H ASN X 37 34.571 -6.668 5.859 1.00 0.00 H new ATOM 0 HA ASN X 37 33.351 -5.082 6.862 1.00 0.00 H new ATOM 0 HB2 ASN X 37 34.086 -6.160 8.954 1.00 0.00 H new ATOM 0 HB3 ASN X 37 35.540 -5.183 8.977 1.00 0.00 H new ATOM 0 HD21 ASN X 37 34.081 -2.526 10.701 1.00 0.00 H new ATOM 0 HD22 ASN X 37 35.525 -3.399 10.179 1.00 0.00 H new ATOM 564 N TYR X 38 35.015 -3.429 5.409 1.00 0.00 N ATOM 565 CA TYR X 38 35.499 -2.166 4.840 1.00 0.00 C ATOM 566 C TYR X 38 36.788 -1.722 5.522 1.00 0.00 C ATOM 567 O TYR X 38 36.846 -0.650 6.125 1.00 0.00 O ATOM 568 CB TYR X 38 34.422 -1.086 4.982 1.00 0.00 C ATOM 569 CG TYR X 38 33.132 -1.433 4.280 1.00 0.00 C ATOM 570 CD1 TYR X 38 33.003 -1.278 2.909 1.00 0.00 C ATOM 571 CD2 TYR X 38 32.049 -1.941 4.985 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.831 -1.614 2.259 1.00 0.00 C ATOM 573 CE2 TYR X 38 30.874 -2.276 4.344 1.00 0.00 C ATOM 574 CZ TYR X 38 30.770 -2.113 2.980 1.00 0.00 C ATOM 575 OH TYR X 38 29.602 -2.453 2.336 1.00 0.00 O ATOM 0 H TYR X 38 34.765 -4.129 4.711 1.00 0.00 H new ATOM 0 HA TYR X 38 35.713 -2.321 3.782 1.00 0.00 H new ATOM 0 HB2 TYR X 38 34.219 -0.922 6.040 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.804 -0.147 4.582 1.00 0.00 H new ATOM 0 HD1 TYR X 38 33.833 -0.888 2.339 1.00 0.00 H new ATOM 0 HD2 TYR X 38 32.128 -2.076 6.054 1.00 0.00 H new ATOM 0 HE1 TYR X 38 31.748 -1.486 1.190 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.040 -2.664 4.909 1.00 0.00 H new ATOM 0 HH TYR X 38 28.954 -2.790 2.990 1.00 0.00 H new ATOM 585 N ASP X 39 37.769 -2.612 5.541 1.00 0.00 N ATOM 586 CA ASP X 39 38.991 -2.359 6.292 1.00 0.00 C ATOM 587 C ASP X 39 40.054 -1.729 5.420 1.00 0.00 C ATOM 588 O ASP X 39 40.466 -2.307 4.414 1.00 0.00 O ATOM 589 CB ASP X 39 39.544 -3.652 6.883 1.00 0.00 C ATOM 590 CG ASP X 39 40.180 -3.436 8.235 1.00 0.00 C ATOM 591 OD1 ASP X 39 41.043 -2.553 8.352 1.00 0.00 O ATOM 592 OD2 ASP X 39 39.814 -4.149 9.184 1.00 0.00 O ATOM 0 H ASP X 39 37.745 -3.506 5.051 1.00 0.00 H new ATOM 0 HA ASP X 39 38.733 -1.669 7.096 1.00 0.00 H new ATOM 0 HB2 ASP X 39 38.739 -4.381 6.975 1.00 0.00 H new ATOM 0 HB3 ASP X 39 40.281 -4.075 6.200 1.00 0.00 H new ATOM 597 N ILE X 40 40.608 -0.630 5.899 1.00 0.00 N ATOM 598 CA ILE X 40 41.759 -0.019 5.256 1.00 0.00 C ATOM 599 C ILE X 40 43.049 -0.593 5.821 1.00 0.00 C ATOM 600 O ILE X 40 44.127 -0.372 5.281 1.00 0.00 O ATOM 601 CB ILE X 40 41.788 1.523 5.395 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.294 1.982 6.778 1.00 0.00 C ATOM 603 CG2 ILE X 40 40.972 2.169 4.289 1.00 0.00 C ATOM 604 CD1 ILE X 40 39.791 2.144 6.880 1.00 0.00 C ATOM 0 H ILE X 40 40.280 -0.141 6.732 1.00 0.00 H new ATOM 0 HA ILE X 40 41.671 -0.251 4.195 1.00 0.00 H new ATOM 0 HB ILE X 40 42.825 1.845 5.299 1.00 0.00 H new ATOM 0 HG12 ILE X 40 41.622 1.260 7.526 1.00 0.00 H new ATOM 0 HG13 ILE X 40 41.768 2.933 7.023 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.002 3.253 4.400 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.388 1.892 3.320 1.00 0.00 H new ATOM 0 HG23 ILE X 40 39.939 1.826 4.351 1.00 0.00 H new ATOM 0 HD11 ILE X 40 39.528 2.470 7.886 1.00 0.00 H new ATOM 0 HD12 ILE X 40 39.456 2.889 6.158 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.307 1.190 6.669 1.00 0.00 H new ATOM 616 N GLY X 41 42.930 -1.321 6.920 1.00 0.00 N ATOM 617 CA GLY X 41 44.094 -1.899 7.554 1.00 0.00 C ATOM 618 C GLY X 41 44.772 -2.934 6.689 1.00 0.00 C ATOM 619 O GLY X 41 46.001 -3.017 6.644 1.00 0.00 O ATOM 0 H GLY X 41 42.045 -1.522 7.385 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.805 -1.107 7.791 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.799 -2.357 8.498 1.00 0.00 H new ATOM 623 N ALA X 42 43.965 -3.690 5.964 1.00 0.00 N ATOM 624 CA ALA X 42 44.475 -4.696 5.042 1.00 0.00 C ATOM 625 C ALA X 42 44.485 -4.172 3.616 1.00 0.00 C ATOM 626 O ALA X 42 45.267 -4.624 2.784 1.00 0.00 O ATOM 627 CB ALA X 42 43.650 -5.972 5.134 1.00 0.00 C ATOM 0 H ALA X 42 42.947 -3.627 5.995 1.00 0.00 H new ATOM 0 HA ALA X 42 45.502 -4.925 5.326 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.046 -6.712 4.438 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.700 -6.365 6.149 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.613 -5.754 4.880 1.00 0.00 H new ATOM 633 N ALA X 43 43.623 -3.202 3.353 1.00 0.00 N ATOM 634 CA ALA X 43 43.539 -2.587 2.033 1.00 0.00 C ATOM 635 C ALA X 43 44.823 -1.845 1.690 1.00 0.00 C ATOM 636 O ALA X 43 45.256 -1.836 0.540 1.00 0.00 O ATOM 637 CB ALA X 43 42.357 -1.634 1.964 1.00 0.00 C ATOM 0 H ALA X 43 42.969 -2.821 4.037 1.00 0.00 H new ATOM 0 HA ALA X 43 43.397 -3.384 1.303 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.310 -1.184 0.972 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.435 -2.183 2.158 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.477 -0.851 2.712 1.00 0.00 H new ATOM 643 N LEU X 44 45.410 -1.196 2.689 1.00 0.00 N ATOM 644 CA LEU X 44 46.624 -0.418 2.484 1.00 0.00 C ATOM 645 C LEU X 44 47.806 -1.315 2.163 1.00 0.00 C ATOM 646 O LEU X 44 48.640 -0.964 1.332 1.00 0.00 O ATOM 647 CB LEU X 44 46.929 0.451 3.708 1.00 0.00 C ATOM 648 CG LEU X 44 46.346 1.868 3.652 1.00 0.00 C ATOM 649 CD1 LEU X 44 44.868 1.833 3.307 1.00 0.00 C ATOM 650 CD2 LEU X 44 46.560 2.587 4.972 1.00 0.00 C ATOM 0 H LEU X 44 45.064 -1.194 3.649 1.00 0.00 H new ATOM 0 HA LEU X 44 46.455 0.237 1.629 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.545 -0.050 4.597 1.00 0.00 H new ATOM 0 HB3 LEU X 44 48.010 0.523 3.825 1.00 0.00 H new ATOM 0 HG LEU X 44 46.869 2.415 2.868 1.00 0.00 H new ATOM 0 HD11 LEU X 44 44.478 2.850 3.273 1.00 0.00 H new ATOM 0 HD12 LEU X 44 44.733 1.360 2.334 1.00 0.00 H new ATOM 0 HD13 LEU X 44 44.331 1.263 4.065 1.00 0.00 H new ATOM 0 HD21 LEU X 44 46.139 3.591 4.912 1.00 0.00 H new ATOM 0 HD22 LEU X 44 46.067 2.034 5.772 1.00 0.00 H new ATOM 0 HD23 LEU X 44 47.628 2.653 5.181 1.00 0.00 H new ATOM 662 N ASP X 45 47.863 -2.476 2.804 1.00 0.00 N ATOM 663 CA ASP X 45 48.943 -3.428 2.567 1.00 0.00 C ATOM 664 C ASP X 45 49.046 -3.774 1.083 1.00 0.00 C ATOM 665 O ASP X 45 50.145 -3.949 0.549 1.00 0.00 O ATOM 666 CB ASP X 45 48.726 -4.697 3.395 1.00 0.00 C ATOM 667 CG ASP X 45 49.941 -5.598 3.413 1.00 0.00 C ATOM 668 OD1 ASP X 45 50.324 -6.113 2.347 1.00 0.00 O ATOM 669 OD2 ASP X 45 50.520 -5.789 4.498 1.00 0.00 O ATOM 0 H ASP X 45 47.175 -2.782 3.492 1.00 0.00 H new ATOM 0 HA ASP X 45 49.880 -2.964 2.876 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.470 -4.419 4.417 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.876 -5.248 2.992 1.00 0.00 H new ATOM 674 N THR X 46 47.904 -3.876 0.418 1.00 0.00 N ATOM 675 CA THR X 46 47.884 -4.208 -0.998 1.00 0.00 C ATOM 676 C THR X 46 47.973 -2.963 -1.894 1.00 0.00 C ATOM 677 O THR X 46 48.560 -3.030 -2.972 1.00 0.00 O ATOM 678 CB THR X 46 46.645 -5.038 -1.325 1.00 0.00 C ATOM 679 OG1 THR X 46 45.493 -4.476 -0.731 1.00 0.00 O ATOM 680 CG2 THR X 46 46.748 -6.472 -0.854 1.00 0.00 C ATOM 0 H THR X 46 46.984 -3.734 0.834 1.00 0.00 H new ATOM 0 HA THR X 46 48.773 -4.803 -1.210 1.00 0.00 H new ATOM 0 HB THR X 46 46.571 -5.031 -2.412 1.00 0.00 H new ATOM 0 HG1 THR X 46 45.197 -3.704 -1.257 1.00 0.00 H new ATOM 0 HG21 THR X 46 45.836 -7.008 -1.117 1.00 0.00 H new ATOM 0 HG22 THR X 46 47.602 -6.952 -1.333 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.881 -6.491 0.228 1.00 0.00 H new ATOM 688 N ILE X 47 47.480 -1.806 -1.433 1.00 0.00 N ATOM 689 CA ILE X 47 47.624 -0.568 -2.214 1.00 0.00 C ATOM 690 C ILE X 47 49.014 0.053 -2.057 1.00 0.00 C ATOM 691 O ILE X 47 49.142 1.271 -2.004 1.00 0.00 O ATOM 692 CB ILE X 47 46.557 0.522 -1.933 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.429 0.816 -0.444 1.00 0.00 C ATOM 694 CG2 ILE X 47 45.203 0.143 -2.520 1.00 0.00 C ATOM 695 CD1 ILE X 47 45.532 1.995 -0.143 1.00 0.00 C ATOM 0 H ILE X 47 46.989 -1.700 -0.545 1.00 0.00 H new ATOM 0 HA ILE X 47 47.470 -0.904 -3.239 1.00 0.00 H new ATOM 0 HB ILE X 47 46.899 1.432 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.039 -0.067 0.062 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.420 1.007 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.480 0.929 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE X 47 45.295 0.021 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE X 47 44.864 -0.793 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE X 47 45.484 2.150 0.935 1.00 0.00 H new ATOM 0 HD12 ILE X 47 45.933 2.889 -0.621 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.531 1.797 -0.526 1.00 0.00 H new ATOM 707 N GLN X 48 50.045 -0.792 -2.116 1.00 0.00 N ATOM 708 CA GLN X 48 51.452 -0.362 -2.147 1.00 0.00 C ATOM 709 C GLN X 48 51.994 0.033 -0.770 1.00 0.00 C ATOM 710 O GLN X 48 53.162 0.408 -0.654 1.00 0.00 O ATOM 711 CB GLN X 48 51.659 0.781 -3.155 1.00 0.00 C ATOM 712 CG GLN X 48 51.115 0.473 -4.547 1.00 0.00 C ATOM 713 CD GLN X 48 50.153 1.534 -5.041 1.00 0.00 C ATOM 714 OE1 GLN X 48 50.556 2.644 -5.387 1.00 0.00 O ATOM 715 NE2 GLN X 48 48.867 1.204 -5.063 1.00 0.00 N ATOM 0 H GLN X 48 49.930 -1.805 -2.144 1.00 0.00 H new ATOM 0 HA GLN X 48 52.025 -1.231 -2.471 1.00 0.00 H new ATOM 0 HB2 GLN X 48 51.175 1.681 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN X 48 52.724 1.000 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN X 48 51.946 0.386 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN X 48 50.609 -0.492 -4.531 1.00 0.00 H new ATOM 0 HE21 GLN X 48 48.574 0.273 -4.768 1.00 0.00 H new ATOM 0 HE22 GLN X 48 48.172 1.882 -5.375 1.00 0.00 H new ATOM 724 N TYR X 49 51.227 -0.219 0.284 1.00 0.00 N ATOM 725 CA TYR X 49 51.742 -0.057 1.645 1.00 0.00 C ATOM 726 C TYR X 49 52.010 -1.431 2.246 1.00 0.00 C ATOM 727 O TYR X 49 51.414 -1.801 3.258 1.00 0.00 O ATOM 728 CB TYR X 49 50.760 0.697 2.555 1.00 0.00 C ATOM 729 CG TYR X 49 50.406 2.103 2.119 1.00 0.00 C ATOM 730 CD1 TYR X 49 49.638 2.337 0.987 1.00 0.00 C ATOM 731 CD2 TYR X 49 50.827 3.199 2.859 1.00 0.00 C ATOM 732 CE1 TYR X 49 49.299 3.619 0.607 1.00 0.00 C ATOM 733 CE2 TYR X 49 50.495 4.485 2.483 1.00 0.00 C ATOM 734 CZ TYR X 49 49.731 4.690 1.359 1.00 0.00 C ATOM 735 OH TYR X 49 49.393 5.970 0.988 1.00 0.00 O ATOM 0 H TYR X 49 50.258 -0.533 0.228 1.00 0.00 H new ATOM 0 HA TYR X 49 52.658 0.530 1.581 1.00 0.00 H new ATOM 0 HB2 TYR X 49 49.840 0.116 2.626 1.00 0.00 H new ATOM 0 HB3 TYR X 49 51.185 0.744 3.557 1.00 0.00 H new ATOM 0 HD1 TYR X 49 49.300 1.501 0.393 1.00 0.00 H new ATOM 0 HD2 TYR X 49 51.425 3.043 3.745 1.00 0.00 H new ATOM 0 HE1 TYR X 49 48.698 3.783 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR X 49 50.834 5.326 3.069 1.00 0.00 H new ATOM 0 HH TYR X 49 49.231 5.999 0.022 1.00 0.00 H new ATOM 745 N SER X 50 52.818 -2.231 1.557 1.00 0.00 N ATOM 746 CA SER X 50 53.051 -3.613 1.967 1.00 0.00 C ATOM 747 C SER X 50 53.932 -3.696 3.204 1.00 0.00 C ATOM 748 O SER X 50 54.044 -4.748 3.837 1.00 0.00 O ATOM 749 CB SER X 50 53.668 -4.403 0.816 1.00 0.00 C ATOM 750 OG SER X 50 52.893 -4.258 -0.367 1.00 0.00 O ATOM 0 H SER X 50 53.321 -1.948 0.716 1.00 0.00 H new ATOM 0 HA SER X 50 52.087 -4.051 2.226 1.00 0.00 H new ATOM 0 HB2 SER X 50 54.685 -4.056 0.635 1.00 0.00 H new ATOM 0 HB3 SER X 50 53.734 -5.457 1.086 1.00 0.00 H new ATOM 0 HG SER X 50 51.949 -4.150 -0.128 1.00 0.00 H new ATOM 756 N LYS X 51 54.439 -2.555 3.608 1.00 0.00 N ATOM 757 CA LYS X 51 55.185 -2.437 4.846 1.00 0.00 C ATOM 758 C LYS X 51 54.560 -1.338 5.697 1.00 0.00 C ATOM 759 O LYS X 51 53.345 -1.301 5.883 1.00 0.00 O ATOM 760 CB LYS X 51 56.667 -2.143 4.554 1.00 0.00 C ATOM 761 CG LYS X 51 57.606 -2.512 5.697 1.00 0.00 C ATOM 762 CD LYS X 51 59.046 -2.118 5.399 1.00 0.00 C ATOM 763 CE LYS X 51 59.988 -2.565 6.511 1.00 0.00 C ATOM 764 NZ LYS X 51 61.362 -2.019 6.332 1.00 0.00 N ATOM 0 H LYS X 51 54.348 -1.681 3.090 1.00 0.00 H new ATOM 0 HA LYS X 51 55.141 -3.378 5.395 1.00 0.00 H new ATOM 0 HB2 LYS X 51 56.966 -2.690 3.660 1.00 0.00 H new ATOM 0 HB3 LYS X 51 56.780 -1.082 4.332 1.00 0.00 H new ATOM 0 HG2 LYS X 51 57.276 -2.018 6.611 1.00 0.00 H new ATOM 0 HG3 LYS X 51 57.553 -3.586 5.878 1.00 0.00 H new ATOM 0 HD2 LYS X 51 59.358 -2.564 4.455 1.00 0.00 H new ATOM 0 HD3 LYS X 51 59.111 -1.037 5.278 1.00 0.00 H new ATOM 0 HE2 LYS X 51 59.592 -2.241 7.474 1.00 0.00 H new ATOM 0 HE3 LYS X 51 60.031 -3.654 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 61.970 -2.347 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 61.751 -2.348 5.425 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 61.326 -0.980 6.336 1.00 0.00 H new ATOM 778 N HIS X 52 55.382 -0.421 6.163 1.00 0.00 N ATOM 779 CA HIS X 52 54.904 0.713 6.941 1.00 0.00 C ATOM 780 C HIS X 52 55.449 2.018 6.371 1.00 0.00 C ATOM 781 O HIS X 52 56.011 1.986 5.261 1.00 0.00 O ATOM 782 CB HIS X 52 55.291 0.558 8.420 1.00 0.00 C ATOM 783 CG HIS X 52 56.735 0.219 8.642 1.00 0.00 C ATOM 784 ND1 HIS X 52 57.782 1.031 8.266 1.00 0.00 N ATOM 785 CD2 HIS X 52 57.299 -0.878 9.210 1.00 0.00 C ATOM 786 CE1 HIS X 52 58.923 0.419 8.605 1.00 0.00 C ATOM 787 NE2 HIS X 52 58.686 -0.743 9.181 1.00 0.00 N ATOM 788 OXT HIS X 52 55.303 3.063 7.030 1.00 0.00 O ATOM 0 H HIS X 52 56.391 -0.436 6.018 1.00 0.00 H new ATOM 0 HA HIS X 52 53.816 0.741 6.878 1.00 0.00 H new ATOM 0 HB2 HIS X 52 55.062 1.486 8.944 1.00 0.00 H new ATOM 0 HB3 HIS X 52 54.673 -0.221 8.867 1.00 0.00 H new ATOM 0 HD2 HIS X 52 56.760 -1.720 9.619 1.00 0.00 H new ATOM 0 HE1 HIS X 52 59.909 0.824 8.430 1.00 0.00 H new ATOM 0 HE2 HIS X 52 59.376 -1.407 9.533 1.00 0.00 H new TER 796 HIS X 52