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= -0.368 F(o=-2.6,f=-0.37) USER MOD Set 1.2: X 38 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: X 16 GLN : amide:sc= 0.596 K(o=-1.2,f=-7.9!) USER MOD Set 2.2: X 17 MET CE :methyl 177:sc= -1.8! (180deg=-1.44) USER MOD Single : X 1 GLY N :NH3+ 139:sc= 0.0228 (180deg=0) USER MOD Single : X 2 SER OG : rot 180:sc= 0 USER MOD Single : X 13 SER OG : rot -172:sc= -1.12 USER MOD Single : X 15 SER OG : rot 120:sc= -1.54 USER MOD Single : X 19 SER OG : rot 180:sc= 0 USER MOD Single : X 20 MET CE :methyl 163:sc= -0.172 (180deg=-0.574) USER MOD Single : X 23 SER OG : rot 180:sc= 0 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+ 171:sc= 0 (180deg=-0.041) USER MOD Single : X 37 ASN : amide:sc= -0.794 X(o=-0.79,f=-1.2) USER MOD Single : X 46 THR OG1 : rot 113:sc= 2.12 USER MOD Single : X 48 GLN :FLIP amide:sc= -0.535 F(o=-5.1!,f=-0.53) USER MOD Single : X 49 TYR OH : rot 180:sc= 0 USER MOD Single : X 50 SER OG : rot -17:sc= 1.25 USER MOD Single : X 51 LYS NZ :NH3+ -171:sc= -0.0359 (180deg=-0.218) USER MOD Single : X 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY X 1 19.915 9.252 -3.272 1.00 0.00 N ATOM 2 CA GLY X 1 20.313 7.868 -2.908 1.00 0.00 C ATOM 3 C GLY X 1 21.782 7.774 -2.557 1.00 0.00 C ATOM 4 O GLY X 1 22.609 8.478 -3.140 1.00 0.00 O ATOM 0 H1 GLY X 1 19.267 9.224 -4.085 1.00 0.00 H new ATOM 0 H2 GLY X 1 19.438 9.700 -2.464 1.00 0.00 H new ATOM 0 H3 GLY X 1 20.761 9.802 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY X 1 19.716 7.530 -2.061 1.00 0.00 H new ATOM 0 HA3 GLY X 1 20.095 7.198 -3.740 1.00 0.00 H new ATOM 10 N SER X 2 22.109 6.936 -1.578 1.00 0.00 N ATOM 11 CA SER X 2 23.487 6.791 -1.124 1.00 0.00 C ATOM 12 C SER X 2 24.270 5.863 -2.045 1.00 0.00 C ATOM 13 O SER X 2 23.944 4.681 -2.174 1.00 0.00 O ATOM 14 CB SER X 2 23.515 6.253 0.304 1.00 0.00 C ATOM 15 OG SER X 2 22.757 7.081 1.172 1.00 0.00 O ATOM 0 H SER X 2 21.438 6.347 -1.084 1.00 0.00 H new ATOM 0 HA SER X 2 23.958 7.774 -1.147 1.00 0.00 H new ATOM 0 HB2 SER X 2 23.116 5.239 0.323 1.00 0.00 H new ATOM 0 HB3 SER X 2 24.545 6.197 0.656 1.00 0.00 H new ATOM 0 HG SER X 2 22.787 6.716 2.081 1.00 0.00 H new ATOM 21 N PRO X 3 25.294 6.397 -2.730 1.00 0.00 N ATOM 22 CA PRO X 3 26.107 5.633 -3.677 1.00 0.00 C ATOM 23 C PRO X 3 27.135 4.746 -2.975 1.00 0.00 C ATOM 24 O PRO X 3 27.624 5.089 -1.896 1.00 0.00 O ATOM 25 CB PRO X 3 26.823 6.719 -4.505 1.00 0.00 C ATOM 26 CG PRO X 3 26.244 8.026 -4.060 1.00 0.00 C ATOM 27 CD PRO X 3 25.721 7.799 -2.673 1.00 0.00 C ATOM 0 HA PRO X 3 25.497 4.955 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO X 3 27.900 6.692 -4.337 1.00 0.00 H new ATOM 0 HB3 PRO X 3 26.663 6.565 -5.572 1.00 0.00 H new ATOM 0 HG2 PRO X 3 27.001 8.810 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO X 3 25.446 8.347 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO X 3 26.489 7.961 -1.917 1.00 0.00 H new ATOM 0 HD3 PRO X 3 24.894 8.468 -2.435 1.00 0.00 H new ATOM 35 N PRO X 4 27.525 3.620 -3.606 1.00 0.00 N ATOM 36 CA PRO X 4 28.549 2.719 -3.065 1.00 0.00 C ATOM 37 C PRO X 4 29.965 3.280 -3.233 1.00 0.00 C ATOM 38 O PRO X 4 30.910 2.547 -3.528 1.00 0.00 O ATOM 39 CB PRO X 4 28.374 1.448 -3.896 1.00 0.00 C ATOM 40 CG PRO X 4 27.826 1.912 -5.203 1.00 0.00 C ATOM 41 CD PRO X 4 27.032 3.167 -4.923 1.00 0.00 C ATOM 0 HA PRO X 4 28.432 2.563 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO X 4 29.324 0.929 -4.028 1.00 0.00 H new ATOM 0 HB3 PRO X 4 27.694 0.749 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO X 4 28.631 2.113 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO X 4 27.193 1.146 -5.651 1.00 0.00 H new ATOM 0 HD2 PRO X 4 27.197 3.922 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO X 4 25.961 2.964 -4.899 1.00 0.00 H new ATOM 49 N GLU X 5 30.089 4.587 -3.057 1.00 0.00 N ATOM 50 CA GLU X 5 31.361 5.282 -3.196 1.00 0.00 C ATOM 51 C GLU X 5 31.363 6.546 -2.345 1.00 0.00 C ATOM 52 O GLU X 5 32.203 7.431 -2.517 1.00 0.00 O ATOM 53 CB GLU X 5 31.606 5.635 -4.666 1.00 0.00 C ATOM 54 CG GLU X 5 30.389 6.234 -5.356 1.00 0.00 C ATOM 55 CD GLU X 5 30.675 6.648 -6.774 1.00 0.00 C ATOM 56 OE1 GLU X 5 31.521 7.540 -6.970 1.00 0.00 O ATOM 57 OE2 GLU X 5 30.054 6.084 -7.697 1.00 0.00 O ATOM 0 H GLU X 5 29.309 5.197 -2.813 1.00 0.00 H new ATOM 0 HA GLU X 5 32.162 4.627 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU X 5 32.434 6.341 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU X 5 31.912 4.736 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU X 5 29.577 5.506 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU X 5 30.045 7.100 -4.791 1.00 0.00 H new ATOM 64 N ALA X 6 30.406 6.617 -1.432 1.00 0.00 N ATOM 65 CA ALA X 6 30.250 7.761 -0.542 1.00 0.00 C ATOM 66 C ALA X 6 29.371 7.357 0.627 1.00 0.00 C ATOM 67 O ALA X 6 28.755 8.188 1.293 1.00 0.00 O ATOM 68 CB ALA X 6 29.642 8.950 -1.279 1.00 0.00 C ATOM 0 H ALA X 6 29.714 5.882 -1.286 1.00 0.00 H new ATOM 0 HA ALA X 6 31.231 8.067 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA X 6 29.537 9.789 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA X 6 30.292 9.237 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA X 6 28.662 8.674 -1.668 1.00 0.00 H new ATOM 74 N ASP X 7 29.369 6.062 0.888 1.00 0.00 N ATOM 75 CA ASP X 7 28.630 5.486 1.992 1.00 0.00 C ATOM 76 C ASP X 7 29.417 5.730 3.267 1.00 0.00 C ATOM 77 O ASP X 7 30.631 5.771 3.208 1.00 0.00 O ATOM 78 CB ASP X 7 28.449 3.981 1.715 1.00 0.00 C ATOM 79 CG ASP X 7 27.756 3.223 2.821 1.00 0.00 C ATOM 80 OD1 ASP X 7 28.373 3.017 3.879 1.00 0.00 O ATOM 81 OD2 ASP X 7 26.592 2.824 2.626 1.00 0.00 O ATOM 0 H ASP X 7 29.884 5.378 0.335 1.00 0.00 H new ATOM 0 HA ASP X 7 27.644 5.938 2.103 1.00 0.00 H new ATOM 0 HB2 ASP X 7 27.878 3.859 0.794 1.00 0.00 H new ATOM 0 HB3 ASP X 7 29.429 3.535 1.544 1.00 0.00 H new ATOM 86 N PRO X 8 28.756 5.920 4.423 1.00 0.00 N ATOM 87 CA PRO X 8 29.444 6.177 5.702 1.00 0.00 C ATOM 88 C PRO X 8 30.643 5.245 5.945 1.00 0.00 C ATOM 89 O PRO X 8 31.551 5.567 6.713 1.00 0.00 O ATOM 90 CB PRO X 8 28.349 5.909 6.733 1.00 0.00 C ATOM 91 CG PRO X 8 27.074 6.243 6.034 1.00 0.00 C ATOM 92 CD PRO X 8 27.289 5.931 4.574 1.00 0.00 C ATOM 0 HA PRO X 8 29.868 7.181 5.738 1.00 0.00 H new ATOM 0 HB2 PRO X 8 28.360 4.869 7.060 1.00 0.00 H new ATOM 0 HB3 PRO X 8 28.485 6.524 7.623 1.00 0.00 H new ATOM 0 HG2 PRO X 8 26.247 5.659 6.437 1.00 0.00 H new ATOM 0 HG3 PRO X 8 26.820 7.294 6.172 1.00 0.00 H new ATOM 0 HD2 PRO X 8 26.853 4.970 4.303 1.00 0.00 H new ATOM 0 HD3 PRO X 8 26.828 6.682 3.933 1.00 0.00 H new ATOM 100 N ARG X 9 30.625 4.090 5.289 1.00 0.00 N ATOM 101 CA ARG X 9 31.679 3.091 5.414 1.00 0.00 C ATOM 102 C ARG X 9 32.760 3.246 4.335 1.00 0.00 C ATOM 103 O ARG X 9 33.929 2.934 4.567 1.00 0.00 O ATOM 104 CB ARG X 9 31.042 1.709 5.309 1.00 0.00 C ATOM 105 CG ARG X 9 30.060 1.419 6.437 1.00 0.00 C ATOM 106 CD ARG X 9 29.156 0.244 6.108 1.00 0.00 C ATOM 107 NE ARG X 9 28.346 0.498 4.922 1.00 0.00 N ATOM 108 CZ ARG X 9 27.380 -0.313 4.495 1.00 0.00 C ATOM 109 NH1 ARG X 9 27.123 -1.442 5.141 1.00 0.00 N ATOM 110 NH2 ARG X 9 26.667 0.015 3.425 1.00 0.00 N ATOM 0 H ARG X 9 29.875 3.819 4.653 1.00 0.00 H new ATOM 0 HA ARG X 9 32.170 3.226 6.378 1.00 0.00 H new ATOM 0 HB2 ARG X 9 30.524 1.625 4.353 1.00 0.00 H new ATOM 0 HB3 ARG X 9 31.826 0.952 5.314 1.00 0.00 H new ATOM 0 HG2 ARG X 9 30.611 1.209 7.354 1.00 0.00 H new ATOM 0 HG3 ARG X 9 29.452 2.304 6.626 1.00 0.00 H new ATOM 0 HD2 ARG X 9 29.762 -0.648 5.950 1.00 0.00 H new ATOM 0 HD3 ARG X 9 28.503 0.039 6.957 1.00 0.00 H new ATOM 0 HE ARG X 9 28.530 1.347 4.388 1.00 0.00 H new ATOM 0 HH11 ARG X 9 27.666 -1.692 5.968 1.00 0.00 H new ATOM 0 HH12 ARG X 9 26.382 -2.061 4.811 1.00 0.00 H new ATOM 0 HH21 ARG X 9 26.859 0.887 2.932 1.00 0.00 H new ATOM 0 HH22 ARG X 9 25.927 -0.605 3.096 1.00 0.00 H new ATOM 124 N LEU X 10 32.363 3.670 3.137 1.00 0.00 N ATOM 125 CA LEU X 10 33.290 3.788 2.024 1.00 0.00 C ATOM 126 C LEU X 10 33.776 5.219 1.869 1.00 0.00 C ATOM 127 O LEU X 10 34.869 5.447 1.383 1.00 0.00 O ATOM 128 CB LEU X 10 32.641 3.292 0.729 1.00 0.00 C ATOM 129 CG LEU X 10 32.232 1.814 0.736 1.00 0.00 C ATOM 130 CD1 LEU X 10 31.641 1.417 -0.603 1.00 0.00 C ATOM 131 CD2 LEU X 10 33.426 0.927 1.068 1.00 0.00 C ATOM 0 H LEU X 10 31.404 3.937 2.916 1.00 0.00 H new ATOM 0 HA LEU X 10 34.156 3.161 2.236 1.00 0.00 H new ATOM 0 HB2 LEU X 10 31.757 3.897 0.528 1.00 0.00 H new ATOM 0 HB3 LEU X 10 33.335 3.458 -0.095 1.00 0.00 H new ATOM 0 HG LEU X 10 31.473 1.676 1.506 1.00 0.00 H new ATOM 0 HD11 LEU X 10 31.357 0.365 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU X 10 30.760 2.026 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU X 10 32.380 1.575 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU X 10 33.114 -0.118 1.068 1.00 0.00 H new ATOM 0 HD22 LEU X 10 34.207 1.073 0.321 1.00 0.00 H new ATOM 0 HD23 LEU X 10 33.812 1.190 2.053 1.00 0.00 H new ATOM 143 N ILE X 11 33.042 6.157 2.446 1.00 0.00 N ATOM 144 CA ILE X 11 33.504 7.534 2.537 1.00 0.00 C ATOM 145 C ILE X 11 34.569 7.601 3.634 1.00 0.00 C ATOM 146 O ILE X 11 35.368 8.537 3.719 1.00 0.00 O ATOM 147 CB ILE X 11 32.314 8.501 2.815 1.00 0.00 C ATOM 148 CG1 ILE X 11 32.510 9.853 2.104 1.00 0.00 C ATOM 149 CG2 ILE X 11 32.100 8.713 4.309 1.00 0.00 C ATOM 150 CD1 ILE X 11 33.555 10.744 2.739 1.00 0.00 C ATOM 0 H ILE X 11 32.124 5.991 2.858 1.00 0.00 H new ATOM 0 HA ILE X 11 33.941 7.854 1.591 1.00 0.00 H new ATOM 0 HB ILE X 11 31.419 8.028 2.409 1.00 0.00 H new ATOM 0 HG12 ILE X 11 32.789 9.668 1.067 1.00 0.00 H new ATOM 0 HG13 ILE X 11 31.558 10.383 2.088 1.00 0.00 H new ATOM 0 HG21 ILE X 11 31.262 9.393 4.464 1.00 0.00 H new ATOM 0 HG22 ILE X 11 31.884 7.757 4.785 1.00 0.00 H new ATOM 0 HG23 ILE X 11 33.001 9.142 4.748 1.00 0.00 H new ATOM 0 HD11 ILE X 11 33.630 11.675 2.177 1.00 0.00 H new ATOM 0 HD12 ILE X 11 33.270 10.963 3.768 1.00 0.00 H new ATOM 0 HD13 ILE X 11 34.520 10.237 2.730 1.00 0.00 H new ATOM 162 N GLU X 12 34.673 6.501 4.363 1.00 0.00 N ATOM 163 CA GLU X 12 35.752 6.319 5.315 1.00 0.00 C ATOM 164 C GLU X 12 36.890 5.508 4.689 1.00 0.00 C ATOM 165 O GLU X 12 38.063 5.868 4.806 1.00 0.00 O ATOM 166 CB GLU X 12 35.239 5.611 6.573 1.00 0.00 C ATOM 167 CG GLU X 12 36.186 5.714 7.758 1.00 0.00 C ATOM 168 CD GLU X 12 35.793 4.809 8.903 1.00 0.00 C ATOM 169 OE1 GLU X 12 34.970 3.897 8.690 1.00 0.00 O ATOM 170 OE2 GLU X 12 36.324 5.000 10.014 1.00 0.00 O ATOM 0 H GLU X 12 34.020 5.719 4.312 1.00 0.00 H new ATOM 0 HA GLU X 12 36.133 7.302 5.592 1.00 0.00 H new ATOM 0 HB2 GLU X 12 34.275 6.036 6.851 1.00 0.00 H new ATOM 0 HB3 GLU X 12 35.070 4.559 6.344 1.00 0.00 H new ATOM 0 HG2 GLU X 12 37.196 5.463 7.433 1.00 0.00 H new ATOM 0 HG3 GLU X 12 36.211 6.746 8.109 1.00 0.00 H new ATOM 177 N SER X 13 36.550 4.298 4.244 1.00 0.00 N ATOM 178 CA SER X 13 37.557 3.310 3.863 1.00 0.00 C ATOM 179 C SER X 13 37.867 3.262 2.358 1.00 0.00 C ATOM 180 O SER X 13 38.929 2.785 1.977 1.00 0.00 O ATOM 181 CB SER X 13 37.112 1.925 4.345 1.00 0.00 C ATOM 182 OG SER X 13 38.062 0.926 4.013 1.00 0.00 O ATOM 0 H SER X 13 35.587 3.980 4.139 1.00 0.00 H new ATOM 0 HA SER X 13 38.485 3.619 4.345 1.00 0.00 H new ATOM 0 HB2 SER X 13 36.966 1.945 5.425 1.00 0.00 H new ATOM 0 HB3 SER X 13 36.150 1.676 3.898 1.00 0.00 H new ATOM 0 HG SER X 13 37.693 0.042 4.220 1.00 0.00 H new ATOM 188 N LEU X 14 36.943 3.676 1.496 1.00 0.00 N ATOM 189 CA LEU X 14 37.165 3.579 0.058 1.00 0.00 C ATOM 190 C LEU X 14 37.690 4.891 -0.468 1.00 0.00 C ATOM 191 O LEU X 14 38.604 4.937 -1.292 1.00 0.00 O ATOM 192 CB LEU X 14 35.870 3.174 -0.664 1.00 0.00 C ATOM 193 CG LEU X 14 35.986 2.942 -2.176 1.00 0.00 C ATOM 194 CD1 LEU X 14 35.024 1.854 -2.616 1.00 0.00 C ATOM 195 CD2 LEU X 14 35.697 4.221 -2.947 1.00 0.00 C ATOM 0 H LEU X 14 36.044 4.077 1.764 1.00 0.00 H new ATOM 0 HA LEU X 14 37.908 2.805 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU X 14 35.492 2.261 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU X 14 35.124 3.950 -0.492 1.00 0.00 H new ATOM 0 HG LEU X 14 37.008 2.629 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU X 14 35.117 1.699 -3.691 1.00 0.00 H new ATOM 0 HD12 LEU X 14 35.260 0.927 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU X 14 34.003 2.153 -2.379 1.00 0.00 H new ATOM 0 HD21 LEU X 14 35.786 4.029 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU X 14 34.686 4.561 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU X 14 36.412 4.991 -2.656 1.00 0.00 H new ATOM 207 N SER X 15 37.084 5.967 -0.011 1.00 0.00 N ATOM 208 CA SER X 15 37.477 7.273 -0.467 1.00 0.00 C ATOM 209 C SER X 15 38.801 7.697 0.165 1.00 0.00 C ATOM 210 O SER X 15 39.431 8.650 -0.296 1.00 0.00 O ATOM 211 CB SER X 15 36.387 8.305 -0.203 1.00 0.00 C ATOM 212 OG SER X 15 36.050 8.335 1.163 1.00 0.00 O ATOM 0 H SER X 15 36.325 5.959 0.670 1.00 0.00 H new ATOM 0 HA SER X 15 37.622 7.217 -1.546 1.00 0.00 H new ATOM 0 HB2 SER X 15 36.728 9.291 -0.520 1.00 0.00 H new ATOM 0 HB3 SER X 15 35.503 8.068 -0.795 1.00 0.00 H new ATOM 0 HG SER X 15 36.221 9.231 1.522 1.00 0.00 H new ATOM 218 N GLN X 16 39.262 6.923 1.155 1.00 0.00 N ATOM 219 CA GLN X 16 40.569 7.149 1.762 1.00 0.00 C ATOM 220 C GLN X 16 41.646 7.088 0.688 1.00 0.00 C ATOM 221 O GLN X 16 42.343 8.070 0.441 1.00 0.00 O ATOM 222 CB GLN X 16 40.839 6.101 2.857 1.00 0.00 C ATOM 223 CG GLN X 16 42.234 6.164 3.481 1.00 0.00 C ATOM 224 CD GLN X 16 43.249 5.307 2.741 1.00 0.00 C ATOM 225 OE1 GLN X 16 43.075 4.100 2.606 1.00 0.00 O ATOM 226 NE2 GLN X 16 44.317 5.924 2.263 1.00 0.00 N ATOM 0 H GLN X 16 38.746 6.136 1.549 1.00 0.00 H new ATOM 0 HA GLN X 16 40.584 8.136 2.225 1.00 0.00 H new ATOM 0 HB2 GLN X 16 40.098 6.224 3.647 1.00 0.00 H new ATOM 0 HB3 GLN X 16 40.691 5.108 2.433 1.00 0.00 H new ATOM 0 HG2 GLN X 16 42.577 7.199 3.490 1.00 0.00 H new ATOM 0 HG3 GLN X 16 42.178 5.838 4.519 1.00 0.00 H new ATOM 0 HE21 GLN X 16 44.427 6.929 2.395 1.00 0.00 H new ATOM 0 HE22 GLN X 16 45.031 5.394 1.762 1.00 0.00 H new ATOM 235 N MET X 17 41.756 5.942 0.027 1.00 0.00 N ATOM 236 CA MET X 17 42.731 5.787 -1.038 1.00 0.00 C ATOM 237 C MET X 17 42.289 6.540 -2.284 1.00 0.00 C ATOM 238 O MET X 17 43.124 6.994 -3.062 1.00 0.00 O ATOM 239 CB MET X 17 42.986 4.309 -1.367 1.00 0.00 C ATOM 240 CG MET X 17 41.753 3.523 -1.792 1.00 0.00 C ATOM 241 SD MET X 17 40.737 3.013 -0.398 1.00 0.00 S ATOM 242 CE MET X 17 41.877 1.969 0.505 1.00 0.00 C ATOM 0 H MET X 17 41.187 5.115 0.209 1.00 0.00 H new ATOM 0 HA MET X 17 43.670 6.213 -0.684 1.00 0.00 H new ATOM 0 HB2 MET X 17 43.727 4.252 -2.164 1.00 0.00 H new ATOM 0 HB3 MET X 17 43.422 3.827 -0.492 1.00 0.00 H new ATOM 0 HG2 MET X 17 41.154 4.133 -2.468 1.00 0.00 H new ATOM 0 HG3 MET X 17 42.065 2.640 -2.351 1.00 0.00 H new ATOM 0 HE1 MET X 17 41.404 1.623 1.424 1.00 0.00 H new ATOM 0 HE2 MET X 17 42.149 1.110 -0.109 1.00 0.00 H new ATOM 0 HE3 MET X 17 42.774 2.537 0.751 1.00 0.00 H new ATOM 252 N LEU X 18 40.974 6.679 -2.469 1.00 0.00 N ATOM 253 CA LEU X 18 40.449 7.387 -3.637 1.00 0.00 C ATOM 254 C LEU X 18 40.900 8.850 -3.656 1.00 0.00 C ATOM 255 O LEU X 18 41.036 9.452 -4.722 1.00 0.00 O ATOM 256 CB LEU X 18 38.921 7.315 -3.661 1.00 0.00 C ATOM 257 CG LEU X 18 38.264 7.778 -4.963 1.00 0.00 C ATOM 258 CD1 LEU X 18 38.684 6.888 -6.122 1.00 0.00 C ATOM 259 CD2 LEU X 18 36.752 7.782 -4.821 1.00 0.00 C ATOM 0 H LEU X 18 40.263 6.316 -1.834 1.00 0.00 H new ATOM 0 HA LEU X 18 40.847 6.897 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU X 18 38.619 6.286 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU X 18 38.532 7.920 -2.842 1.00 0.00 H new ATOM 0 HG LEU X 18 38.597 8.795 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU X 18 38.206 7.234 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU X 18 39.767 6.930 -6.239 1.00 0.00 H new ATOM 0 HD13 LEU X 18 38.381 5.861 -5.920 1.00 0.00 H new ATOM 0 HD21 LEU X 18 36.300 8.114 -5.756 1.00 0.00 H new ATOM 0 HD22 LEU X 18 36.406 6.775 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU X 18 36.464 8.460 -4.018 1.00 0.00 H new ATOM 271 N SER X 19 41.091 9.436 -2.477 1.00 0.00 N ATOM 272 CA SER X 19 41.477 10.839 -2.380 1.00 0.00 C ATOM 273 C SER X 19 42.990 10.987 -2.195 1.00 0.00 C ATOM 274 O SER X 19 43.581 11.974 -2.633 1.00 0.00 O ATOM 275 CB SER X 19 40.735 11.509 -1.218 1.00 0.00 C ATOM 276 OG SER X 19 40.961 12.911 -1.194 1.00 0.00 O ATOM 0 H SER X 19 40.985 8.963 -1.580 1.00 0.00 H new ATOM 0 HA SER X 19 41.202 11.331 -3.313 1.00 0.00 H new ATOM 0 HB2 SER X 19 39.666 11.313 -1.307 1.00 0.00 H new ATOM 0 HB3 SER X 19 41.062 11.071 -0.275 1.00 0.00 H new ATOM 0 HG SER X 19 40.473 13.308 -0.443 1.00 0.00 H new ATOM 282 N MET X 20 43.603 10.043 -1.484 1.00 0.00 N ATOM 283 CA MET X 20 45.032 10.125 -1.178 1.00 0.00 C ATOM 284 C MET X 20 45.904 9.685 -2.355 1.00 0.00 C ATOM 285 O MET X 20 47.101 9.965 -2.380 1.00 0.00 O ATOM 286 CB MET X 20 45.365 9.299 0.067 1.00 0.00 C ATOM 287 CG MET X 20 44.801 9.892 1.350 1.00 0.00 C ATOM 288 SD MET X 20 45.113 8.865 2.799 1.00 0.00 S ATOM 289 CE MET X 20 46.898 8.716 2.750 1.00 0.00 C ATOM 0 H MET X 20 43.137 9.216 -1.110 1.00 0.00 H new ATOM 0 HA MET X 20 45.256 11.174 -0.982 1.00 0.00 H new ATOM 0 HB2 MET X 20 44.975 8.289 -0.060 1.00 0.00 H new ATOM 0 HB3 MET X 20 46.448 9.214 0.159 1.00 0.00 H new ATOM 0 HG2 MET X 20 45.237 10.878 1.510 1.00 0.00 H new ATOM 0 HG3 MET X 20 43.726 10.033 1.236 1.00 0.00 H new ATOM 0 HE1 MET X 20 47.262 8.378 3.720 1.00 0.00 H new ATOM 0 HE2 MET X 20 47.182 7.994 1.985 1.00 0.00 H new ATOM 0 HE3 MET X 20 47.338 9.685 2.515 1.00 0.00 H new ATOM 299 N GLY X 21 45.300 9.057 -3.357 1.00 0.00 N ATOM 300 CA GLY X 21 46.049 8.680 -4.542 1.00 0.00 C ATOM 301 C GLY X 21 46.507 7.237 -4.526 1.00 0.00 C ATOM 302 O GLY X 21 47.601 6.923 -4.994 1.00 0.00 O ATOM 0 H GLY X 21 44.312 8.803 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY X 21 45.430 8.848 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY X 21 46.919 9.329 -4.635 1.00 0.00 H new ATOM 306 N PHE X 22 45.628 6.346 -4.091 1.00 0.00 N ATOM 307 CA PHE X 22 45.897 4.920 -4.136 1.00 0.00 C ATOM 308 C PHE X 22 44.723 4.235 -4.800 1.00 0.00 C ATOM 309 O PHE X 22 43.643 4.818 -4.900 1.00 0.00 O ATOM 310 CB PHE X 22 46.114 4.338 -2.733 1.00 0.00 C ATOM 311 CG PHE X 22 47.267 4.938 -1.974 1.00 0.00 C ATOM 312 CD1 PHE X 22 47.166 6.192 -1.390 1.00 0.00 C ATOM 313 CD2 PHE X 22 48.454 4.239 -1.842 1.00 0.00 C ATOM 314 CE1 PHE X 22 48.228 6.734 -0.692 1.00 0.00 C ATOM 315 CE2 PHE X 22 49.519 4.775 -1.148 1.00 0.00 C ATOM 316 CZ PHE X 22 49.407 6.023 -0.572 1.00 0.00 C ATOM 0 H PHE X 22 44.718 6.590 -3.701 1.00 0.00 H new ATOM 0 HA PHE X 22 46.813 4.752 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE X 22 45.202 4.477 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE X 22 46.275 3.264 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE X 22 46.247 6.751 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE X 22 48.548 3.260 -2.289 1.00 0.00 H new ATOM 0 HE1 PHE X 22 48.137 7.711 -0.241 1.00 0.00 H new ATOM 0 HE2 PHE X 22 50.440 4.218 -1.056 1.00 0.00 H new ATOM 0 HZ PHE X 22 50.239 6.444 -0.028 1.00 0.00 H new ATOM 326 N SER X 23 44.920 3.024 -5.278 1.00 0.00 N ATOM 327 CA SER X 23 43.854 2.325 -5.962 1.00 0.00 C ATOM 328 C SER X 23 43.839 0.857 -5.574 1.00 0.00 C ATOM 329 O SER X 23 44.688 0.396 -4.812 1.00 0.00 O ATOM 330 CB SER X 23 44.015 2.456 -7.482 1.00 0.00 C ATOM 331 OG SER X 23 43.975 3.812 -7.894 1.00 0.00 O ATOM 0 H SER X 23 45.797 2.509 -5.207 1.00 0.00 H new ATOM 0 HA SER X 23 42.908 2.778 -5.664 1.00 0.00 H new ATOM 0 HB2 SER X 23 44.961 2.009 -7.789 1.00 0.00 H new ATOM 0 HB3 SER X 23 43.223 1.899 -7.982 1.00 0.00 H new ATOM 0 HG SER X 23 44.082 3.862 -8.867 1.00 0.00 H new ATOM 337 N ASP X 24 42.929 0.108 -6.176 1.00 0.00 N ATOM 338 CA ASP X 24 42.879 -1.324 -5.966 1.00 0.00 C ATOM 339 C ASP X 24 43.977 -2.006 -6.769 1.00 0.00 C ATOM 340 O ASP X 24 43.985 -1.971 -7.999 1.00 0.00 O ATOM 341 CB ASP X 24 41.504 -1.884 -6.353 1.00 0.00 C ATOM 342 CG ASP X 24 41.041 -1.434 -7.723 1.00 0.00 C ATOM 343 OD1 ASP X 24 40.854 -0.217 -7.922 1.00 0.00 O ATOM 344 OD2 ASP X 24 40.858 -2.297 -8.598 1.00 0.00 O ATOM 0 H ASP X 24 42.218 0.470 -6.812 1.00 0.00 H new ATOM 0 HA ASP X 24 43.039 -1.525 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP X 24 41.543 -2.973 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP X 24 40.770 -1.575 -5.609 1.00 0.00 H new ATOM 349 N GLU X 25 44.906 -2.627 -6.060 1.00 0.00 N ATOM 350 CA GLU X 25 46.017 -3.324 -6.688 1.00 0.00 C ATOM 351 C GLU X 25 45.610 -4.750 -7.039 1.00 0.00 C ATOM 352 O GLU X 25 46.213 -5.722 -6.582 1.00 0.00 O ATOM 353 CB GLU X 25 47.230 -3.325 -5.753 1.00 0.00 C ATOM 354 CG GLU X 25 48.495 -3.893 -6.373 1.00 0.00 C ATOM 355 CD GLU X 25 49.189 -2.919 -7.297 1.00 0.00 C ATOM 356 OE1 GLU X 25 48.556 -2.469 -8.270 1.00 0.00 O ATOM 357 OE2 GLU X 25 50.369 -2.604 -7.051 1.00 0.00 O ATOM 0 H GLU X 25 44.912 -2.662 -5.041 1.00 0.00 H new ATOM 0 HA GLU X 25 46.288 -2.806 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU X 25 47.425 -2.303 -5.429 1.00 0.00 H new ATOM 0 HB3 GLU X 25 46.986 -3.901 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU X 25 49.183 -4.185 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU X 25 48.246 -4.798 -6.928 1.00 0.00 H new ATOM 364 N GLY X 26 44.590 -4.874 -7.866 1.00 0.00 N ATOM 365 CA GLY X 26 44.145 -6.185 -8.283 1.00 0.00 C ATOM 366 C GLY X 26 42.643 -6.296 -8.393 1.00 0.00 C ATOM 367 O GLY X 26 42.122 -7.342 -8.779 1.00 0.00 O ATOM 0 H GLY X 26 44.062 -4.094 -8.257 1.00 0.00 H new ATOM 0 HA2 GLY X 26 44.592 -6.423 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY X 26 44.507 -6.928 -7.572 1.00 0.00 H new ATOM 371 N GLY X 27 41.935 -5.244 -8.012 1.00 0.00 N ATOM 372 CA GLY X 27 40.491 -5.284 -8.041 1.00 0.00 C ATOM 373 C GLY X 27 39.928 -5.873 -6.773 1.00 0.00 C ATOM 374 O GLY X 27 38.797 -6.354 -6.749 1.00 0.00 O ATOM 0 H GLY X 27 42.335 -4.365 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY X 27 40.101 -4.276 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY X 27 40.160 -5.874 -8.896 1.00 0.00 H new ATOM 378 N TRP X 28 40.730 -5.848 -5.714 1.00 0.00 N ATOM 379 CA TRP X 28 40.317 -6.397 -4.431 1.00 0.00 C ATOM 380 C TRP X 28 39.520 -5.381 -3.621 1.00 0.00 C ATOM 381 O TRP X 28 39.087 -5.691 -2.523 1.00 0.00 O ATOM 382 CB TRP X 28 41.543 -6.827 -3.616 1.00 0.00 C ATOM 383 CG TRP X 28 42.561 -5.738 -3.513 1.00 0.00 C ATOM 384 CD1 TRP X 28 43.714 -5.625 -4.228 1.00 0.00 C ATOM 385 CD2 TRP X 28 42.487 -4.574 -2.682 1.00 0.00 C ATOM 386 NE1 TRP X 28 44.360 -4.467 -3.888 1.00 0.00 N ATOM 387 CE2 TRP X 28 43.622 -3.803 -2.948 1.00 0.00 C ATOM 388 CE3 TRP X 28 41.564 -4.112 -1.739 1.00 0.00 C ATOM 389 CZ2 TRP X 28 43.857 -2.593 -2.309 1.00 0.00 C ATOM 390 CZ3 TRP X 28 41.797 -2.913 -1.107 1.00 0.00 C ATOM 391 CH2 TRP X 28 42.933 -2.165 -1.395 1.00 0.00 C ATOM 0 H TRP X 28 41.670 -5.453 -5.721 1.00 0.00 H new ATOM 0 HA TRP X 28 39.684 -7.260 -4.636 1.00 0.00 H new ATOM 0 HB2 TRP X 28 41.227 -7.123 -2.616 1.00 0.00 H new ATOM 0 HB3 TRP X 28 41.996 -7.703 -4.079 1.00 0.00 H new ATOM 0 HD1 TRP X 28 44.066 -6.342 -4.955 1.00 0.00 H new ATOM 0 HE1 TRP X 28 45.249 -4.150 -4.274 1.00 0.00 H new ATOM 0 HE3 TRP X 28 40.680 -4.689 -1.510 1.00 0.00 H new ATOM 0 HZ2 TRP X 28 44.739 -2.009 -2.526 1.00 0.00 H new ATOM 0 HZ3 TRP X 28 41.089 -2.548 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP X 28 43.090 -1.225 -0.886 1.00 0.00 H new ATOM 402 N LEU X 29 39.498 -4.124 -4.056 1.00 0.00 N ATOM 403 CA LEU X 29 38.941 -3.051 -3.225 1.00 0.00 C ATOM 404 C LEU X 29 37.474 -3.311 -2.869 1.00 0.00 C ATOM 405 O LEU X 29 37.021 -2.951 -1.788 1.00 0.00 O ATOM 406 CB LEU X 29 39.136 -1.683 -3.899 1.00 0.00 C ATOM 407 CG LEU X 29 38.464 -0.492 -3.211 1.00 0.00 C ATOM 408 CD1 LEU X 29 39.118 -0.210 -1.873 1.00 0.00 C ATOM 409 CD2 LEU X 29 38.524 0.739 -4.100 1.00 0.00 C ATOM 0 H LEU X 29 39.852 -3.822 -4.964 1.00 0.00 H new ATOM 0 HA LEU X 29 39.491 -3.037 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU X 29 40.205 -1.482 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU X 29 38.760 -1.747 -4.920 1.00 0.00 H new ATOM 0 HG LEU X 29 37.418 -0.743 -3.037 1.00 0.00 H new ATOM 0 HD11 LEU X 29 38.626 0.640 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU X 29 39.026 -1.086 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU X 29 40.173 0.019 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU X 29 38.042 1.576 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU X 29 39.565 0.990 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU X 29 38.009 0.535 -5.039 1.00 0.00 H new ATOM 421 N THR X 30 36.765 -4.027 -3.724 1.00 0.00 N ATOM 422 CA THR X 30 35.396 -4.422 -3.421 1.00 0.00 C ATOM 423 C THR X 30 35.350 -5.829 -2.793 1.00 0.00 C ATOM 424 O THR X 30 34.312 -6.267 -2.296 1.00 0.00 O ATOM 425 CB THR X 30 34.557 -4.354 -4.700 1.00 0.00 C ATOM 426 OG1 THR X 30 34.703 -3.080 -5.303 1.00 0.00 O ATOM 427 CG2 THR X 30 33.076 -4.574 -4.478 1.00 0.00 C ATOM 0 H THR X 30 37.110 -4.346 -4.629 1.00 0.00 H new ATOM 0 HA THR X 30 34.978 -3.733 -2.687 1.00 0.00 H new ATOM 0 HB THR X 30 34.929 -5.160 -5.332 1.00 0.00 H new ATOM 0 HG1 THR X 30 34.166 -3.042 -6.122 1.00 0.00 H new ATOM 0 HG21 THR X 30 32.552 -4.510 -5.432 1.00 0.00 H new ATOM 0 HG22 THR X 30 32.916 -5.560 -4.041 1.00 0.00 H new ATOM 0 HG23 THR X 30 32.692 -3.811 -3.801 1.00 0.00 H new ATOM 435 N ARG X 31 36.474 -6.541 -2.833 1.00 0.00 N ATOM 436 CA ARG X 31 36.543 -7.895 -2.285 1.00 0.00 C ATOM 437 C ARG X 31 37.094 -7.905 -0.852 1.00 0.00 C ATOM 438 O ARG X 31 36.551 -8.575 0.023 1.00 0.00 O ATOM 439 CB ARG X 31 37.422 -8.787 -3.173 1.00 0.00 C ATOM 440 CG ARG X 31 37.423 -8.394 -4.645 1.00 0.00 C ATOM 441 CD ARG X 31 38.125 -9.432 -5.516 1.00 0.00 C ATOM 442 NE ARG X 31 37.380 -10.691 -5.610 1.00 0.00 N ATOM 443 CZ ARG X 31 37.626 -11.768 -4.868 1.00 0.00 C ATOM 444 NH1 ARG X 31 38.609 -11.757 -3.977 1.00 0.00 N ATOM 445 NH2 ARG X 31 36.892 -12.862 -5.028 1.00 0.00 N ATOM 0 H ARG X 31 37.348 -6.205 -3.238 1.00 0.00 H new ATOM 0 HA ARG X 31 35.525 -8.284 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG X 31 38.446 -8.757 -2.800 1.00 0.00 H new ATOM 0 HB3 ARG X 31 37.081 -9.818 -3.084 1.00 0.00 H new ATOM 0 HG2 ARG X 31 36.396 -8.269 -4.987 1.00 0.00 H new ATOM 0 HG3 ARG X 31 37.917 -7.429 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG X 31 38.268 -9.024 -6.517 1.00 0.00 H new ATOM 0 HD3 ARG X 31 39.116 -9.631 -5.109 1.00 0.00 H new ATOM 0 HE ARG X 31 36.622 -10.745 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG X 31 39.180 -10.920 -3.858 1.00 0.00 H new ATOM 0 HH12 ARG X 31 38.793 -12.585 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG X 31 36.141 -12.876 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG X 31 37.079 -13.689 -4.461 1.00 0.00 H new ATOM 459 N LEU X 32 38.261 -7.286 -0.673 1.00 0.00 N ATOM 460 CA LEU X 32 39.005 -7.346 0.588 1.00 0.00 C ATOM 461 C LEU X 32 38.266 -6.679 1.745 1.00 0.00 C ATOM 462 O LEU X 32 37.808 -7.352 2.666 1.00 0.00 O ATOM 463 CB LEU X 32 40.368 -6.668 0.409 1.00 0.00 C ATOM 464 CG LEU X 32 41.253 -6.623 1.657 1.00 0.00 C ATOM 465 CD1 LEU X 32 42.059 -7.899 1.785 1.00 0.00 C ATOM 466 CD2 LEU X 32 42.173 -5.415 1.619 1.00 0.00 C ATOM 0 H LEU X 32 38.718 -6.730 -1.396 1.00 0.00 H new ATOM 0 HA LEU X 32 39.123 -8.400 0.839 1.00 0.00 H new ATOM 0 HB2 LEU X 32 40.911 -7.187 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU X 32 40.203 -5.647 0.065 1.00 0.00 H new ATOM 0 HG LEU X 32 40.607 -6.535 2.530 1.00 0.00 H new ATOM 0 HD11 LEU X 32 42.682 -7.848 2.678 1.00 0.00 H new ATOM 0 HD12 LEU X 32 41.383 -8.750 1.862 1.00 0.00 H new ATOM 0 HD13 LEU X 32 42.693 -8.018 0.907 1.00 0.00 H new ATOM 0 HD21 LEU X 32 42.793 -5.402 2.515 1.00 0.00 H new ATOM 0 HD22 LEU X 32 42.811 -5.471 0.737 1.00 0.00 H new ATOM 0 HD23 LEU X 32 41.576 -4.504 1.578 1.00 0.00 H new ATOM 478 N LEU X 33 38.301 -5.348 1.778 1.00 0.00 N ATOM 479 CA LEU X 33 37.796 -4.605 2.930 1.00 0.00 C ATOM 480 C LEU X 33 36.281 -4.689 3.060 1.00 0.00 C ATOM 481 O LEU X 33 35.733 -4.430 4.122 1.00 0.00 O ATOM 482 CB LEU X 33 38.269 -3.145 2.889 1.00 0.00 C ATOM 483 CG LEU X 33 38.176 -2.425 1.534 1.00 0.00 C ATOM 484 CD1 LEU X 33 36.733 -2.173 1.130 1.00 0.00 C ATOM 485 CD2 LEU X 33 38.932 -1.109 1.585 1.00 0.00 C ATOM 0 H LEU X 33 38.671 -4.766 1.026 1.00 0.00 H new ATOM 0 HA LEU X 33 38.212 -5.077 3.820 1.00 0.00 H new ATOM 0 HB2 LEU X 33 37.687 -2.579 3.616 1.00 0.00 H new ATOM 0 HB3 LEU X 33 39.307 -3.115 3.219 1.00 0.00 H new ATOM 0 HG LEU X 33 38.627 -3.076 0.785 1.00 0.00 H new ATOM 0 HD11 LEU X 33 36.709 -1.662 0.167 1.00 0.00 H new ATOM 0 HD12 LEU X 33 36.206 -3.124 1.050 1.00 0.00 H new ATOM 0 HD13 LEU X 33 36.248 -1.552 1.883 1.00 0.00 H new ATOM 0 HD21 LEU X 33 38.858 -0.609 0.619 1.00 0.00 H new ATOM 0 HD22 LEU X 33 38.501 -0.472 2.357 1.00 0.00 H new ATOM 0 HD23 LEU X 33 39.980 -1.300 1.815 1.00 0.00 H new ATOM 497 N GLN X 34 35.610 -5.088 1.994 1.00 0.00 N ATOM 498 CA GLN X 34 34.163 -5.241 2.023 1.00 0.00 C ATOM 499 C GLN X 34 33.748 -6.345 2.999 1.00 0.00 C ATOM 500 O GLN X 34 32.739 -6.220 3.690 1.00 0.00 O ATOM 501 CB GLN X 34 33.658 -5.536 0.614 1.00 0.00 C ATOM 502 CG GLN X 34 32.146 -5.696 0.497 1.00 0.00 C ATOM 503 CD GLN X 34 31.376 -4.384 0.453 1.00 0.00 C ATOM 504 OE1 GLN X 34 32.077 -3.256 0.455 1.00 0.00 O flip ATOM 505 NE2 GLN X 34 30.146 -4.388 0.411 1.00 0.00 N flip ATOM 0 H GLN X 34 36.042 -5.312 1.098 1.00 0.00 H new ATOM 0 HA GLN X 34 33.713 -4.312 2.374 1.00 0.00 H new ATOM 0 HB2 GLN X 34 33.976 -4.730 -0.047 1.00 0.00 H new ATOM 0 HB3 GLN X 34 34.135 -6.449 0.256 1.00 0.00 H new ATOM 0 HG2 GLN X 34 31.922 -6.265 -0.405 1.00 0.00 H new ATOM 0 HG3 GLN X 34 31.789 -6.285 1.342 1.00 0.00 H new ATOM 0 HE21 GLN X 34 29.639 -5.273 0.411 1.00 0.00 H new ATOM 0 HE22 GLN X 34 29.634 -3.506 0.376 1.00 0.00 H new ATOM 514 N THR X 35 34.567 -7.385 3.119 1.00 0.00 N ATOM 515 CA THR X 35 34.302 -8.440 4.092 1.00 0.00 C ATOM 516 C THR X 35 35.081 -8.183 5.381 1.00 0.00 C ATOM 517 O THR X 35 34.758 -8.727 6.434 1.00 0.00 O ATOM 518 CB THR X 35 34.662 -9.813 3.514 1.00 0.00 C ATOM 519 OG1 THR X 35 36.037 -9.877 3.167 1.00 0.00 O ATOM 520 CG2 THR X 35 33.862 -10.169 2.280 1.00 0.00 C ATOM 0 H THR X 35 35.411 -7.520 2.562 1.00 0.00 H new ATOM 0 HA THR X 35 33.237 -8.434 4.322 1.00 0.00 H new ATOM 0 HB THR X 35 34.425 -10.525 4.304 1.00 0.00 H new ATOM 0 HG1 THR X 35 36.241 -10.763 2.802 1.00 0.00 H new ATOM 0 HG21 THR X 35 34.165 -11.152 1.921 1.00 0.00 H new ATOM 0 HG22 THR X 35 32.800 -10.184 2.527 1.00 0.00 H new ATOM 0 HG23 THR X 35 34.043 -9.427 1.502 1.00 0.00 H new ATOM 528 N LYS X 36 36.084 -7.314 5.293 1.00 0.00 N ATOM 529 CA LYS X 36 36.896 -6.928 6.447 1.00 0.00 C ATOM 530 C LYS X 36 36.282 -5.750 7.197 1.00 0.00 C ATOM 531 O LYS X 36 37.004 -4.854 7.637 1.00 0.00 O ATOM 532 CB LYS X 36 38.314 -6.570 6.006 1.00 0.00 C ATOM 533 CG LYS X 36 39.247 -7.762 5.886 1.00 0.00 C ATOM 534 CD LYS X 36 40.635 -7.318 5.458 1.00 0.00 C ATOM 535 CE LYS X 36 41.670 -8.412 5.673 1.00 0.00 C ATOM 536 NZ LYS X 36 41.326 -9.663 4.949 1.00 0.00 N ATOM 0 H LYS X 36 36.358 -6.858 4.423 1.00 0.00 H new ATOM 0 HA LYS X 36 36.930 -7.783 7.122 1.00 0.00 H new ATOM 0 HB2 LYS X 36 38.266 -6.062 5.043 1.00 0.00 H new ATOM 0 HB3 LYS X 36 38.737 -5.862 6.719 1.00 0.00 H new ATOM 0 HG2 LYS X 36 39.305 -8.282 6.842 1.00 0.00 H new ATOM 0 HG3 LYS X 36 38.847 -8.471 5.161 1.00 0.00 H new ATOM 0 HD2 LYS X 36 40.618 -7.036 4.405 1.00 0.00 H new ATOM 0 HD3 LYS X 36 40.922 -6.430 6.021 1.00 0.00 H new ATOM 0 HE2 LYS X 36 42.645 -8.058 5.339 1.00 0.00 H new ATOM 0 HE3 LYS X 36 41.756 -8.623 6.739 1.00 0.00 H new ATOM 0 HZ1 LYS X 36 42.127 -10.324 4.998 1.00 0.00 H new ATOM 0 HZ2 LYS X 36 40.490 -10.099 5.387 1.00 0.00 H new ATOM 0 HZ3 LYS X 36 41.120 -9.443 3.954 1.00 0.00 H new ATOM 550 N ASN X 37 34.948 -5.753 7.305 1.00 0.00 N ATOM 551 CA ASN X 37 34.177 -4.687 7.963 1.00 0.00 C ATOM 552 C ASN X 37 34.657 -3.288 7.589 1.00 0.00 C ATOM 553 O ASN X 37 34.606 -2.370 8.413 1.00 0.00 O ATOM 554 CB ASN X 37 34.134 -4.851 9.497 1.00 0.00 C ATOM 555 CG ASN X 37 35.498 -4.985 10.152 1.00 0.00 C ATOM 556 OD1 ASN X 37 36.076 -6.073 10.186 1.00 0.00 O ATOM 557 ND2 ASN X 37 36.027 -3.883 10.667 1.00 0.00 N ATOM 0 H ASN X 37 34.365 -6.504 6.934 1.00 0.00 H new ATOM 0 HA ASN X 37 33.160 -4.795 7.585 1.00 0.00 H new ATOM 0 HB2 ASN X 37 33.620 -3.992 9.928 1.00 0.00 H new ATOM 0 HB3 ASN X 37 33.540 -5.732 9.740 1.00 0.00 H new ATOM 0 HD21 ASN X 37 36.944 -3.917 11.111 1.00 0.00 H new ATOM 0 HD22 ASN X 37 35.516 -3.001 10.619 1.00 0.00 H new ATOM 564 N TYR X 38 34.991 -3.114 6.309 1.00 0.00 N ATOM 565 CA TYR X 38 35.337 -1.806 5.743 1.00 0.00 C ATOM 566 C TYR X 38 36.525 -1.179 6.459 1.00 0.00 C ATOM 567 O TYR X 38 36.367 -0.209 7.207 1.00 0.00 O ATOM 568 CB TYR X 38 34.125 -0.871 5.815 1.00 0.00 C ATOM 569 CG TYR X 38 32.891 -1.443 5.159 1.00 0.00 C ATOM 570 CD1 TYR X 38 32.733 -1.405 3.783 1.00 0.00 C ATOM 571 CD2 TYR X 38 31.891 -2.043 5.917 1.00 0.00 C ATOM 572 CE1 TYR X 38 31.616 -1.945 3.178 1.00 0.00 C ATOM 573 CE2 TYR X 38 30.772 -2.584 5.319 1.00 0.00 C ATOM 574 CZ TYR X 38 30.639 -2.532 3.950 1.00 0.00 C ATOM 575 OH TYR X 38 29.529 -3.075 3.350 1.00 0.00 O ATOM 0 H TYR X 38 35.030 -3.877 5.633 1.00 0.00 H new ATOM 0 HA TYR X 38 35.621 -1.956 4.701 1.00 0.00 H new ATOM 0 HB2 TYR X 38 33.905 -0.653 6.860 1.00 0.00 H new ATOM 0 HB3 TYR X 38 34.376 0.076 5.337 1.00 0.00 H new ATOM 0 HD1 TYR X 38 33.497 -0.945 3.173 1.00 0.00 H new ATOM 0 HD2 TYR X 38 31.992 -2.086 6.991 1.00 0.00 H new ATOM 0 HE1 TYR X 38 31.509 -1.907 2.104 1.00 0.00 H new ATOM 0 HE2 TYR X 38 30.004 -3.046 5.922 1.00 0.00 H new ATOM 0 HH TYR X 38 28.937 -3.450 4.035 1.00 0.00 H new ATOM 585 N ASP X 39 37.715 -1.733 6.245 1.00 0.00 N ATOM 586 CA ASP X 39 38.901 -1.199 6.911 1.00 0.00 C ATOM 587 C ASP X 39 40.012 -0.840 5.934 1.00 0.00 C ATOM 588 O ASP X 39 40.319 -1.583 5.000 1.00 0.00 O ATOM 589 CB ASP X 39 39.426 -2.170 7.974 1.00 0.00 C ATOM 590 CG ASP X 39 40.370 -3.215 7.426 1.00 0.00 C ATOM 591 OD1 ASP X 39 39.952 -4.015 6.573 1.00 0.00 O ATOM 592 OD2 ASP X 39 41.534 -3.242 7.871 1.00 0.00 O ATOM 0 H ASP X 39 37.884 -2.531 5.632 1.00 0.00 H new ATOM 0 HA ASP X 39 38.586 -0.277 7.399 1.00 0.00 H new ATOM 0 HB2 ASP X 39 39.937 -1.602 8.751 1.00 0.00 H new ATOM 0 HB3 ASP X 39 38.580 -2.669 8.448 1.00 0.00 H new ATOM 597 N ILE X 40 40.692 0.254 6.247 1.00 0.00 N ATOM 598 CA ILE X 40 41.868 0.668 5.507 1.00 0.00 C ATOM 599 C ILE X 40 43.121 0.083 6.139 1.00 0.00 C ATOM 600 O ILE X 40 44.223 0.274 5.635 1.00 0.00 O ATOM 601 CB ILE X 40 42.005 2.207 5.420 1.00 0.00 C ATOM 602 CG1 ILE X 40 41.872 2.873 6.801 1.00 0.00 C ATOM 603 CG2 ILE X 40 40.975 2.768 4.455 1.00 0.00 C ATOM 604 CD1 ILE X 40 40.447 3.245 7.175 1.00 0.00 C ATOM 0 H ILE X 40 40.443 0.874 7.017 1.00 0.00 H new ATOM 0 HA ILE X 40 41.750 0.290 4.492 1.00 0.00 H new ATOM 0 HB ILE X 40 43.004 2.432 5.047 1.00 0.00 H new ATOM 0 HG12 ILE X 40 42.271 2.198 7.558 1.00 0.00 H new ATOM 0 HG13 ILE X 40 42.488 3.772 6.820 1.00 0.00 H new ATOM 0 HG21 ILE X 40 41.080 3.852 4.401 1.00 0.00 H new ATOM 0 HG22 ILE X 40 41.131 2.338 3.466 1.00 0.00 H new ATOM 0 HG23 ILE X 40 39.974 2.517 4.805 1.00 0.00 H new ATOM 0 HD11 ILE X 40 40.439 3.709 8.161 1.00 0.00 H new ATOM 0 HD12 ILE X 40 40.049 3.946 6.441 1.00 0.00 H new ATOM 0 HD13 ILE X 40 39.829 2.347 7.191 1.00 0.00 H new ATOM 616 N GLY X 41 42.945 -0.607 7.261 1.00 0.00 N ATOM 617 CA GLY X 41 44.075 -1.183 7.959 1.00 0.00 C ATOM 618 C GLY X 41 44.767 -2.241 7.136 1.00 0.00 C ATOM 619 O GLY X 41 45.992 -2.256 7.011 1.00 0.00 O ATOM 0 H GLY X 41 42.039 -0.777 7.698 1.00 0.00 H new ATOM 0 HA2 GLY X 41 44.786 -0.396 8.210 1.00 0.00 H new ATOM 0 HA3 GLY X 41 43.737 -1.618 8.899 1.00 0.00 H new ATOM 623 N ALA X 42 43.967 -3.074 6.504 1.00 0.00 N ATOM 624 CA ALA X 42 44.484 -4.088 5.598 1.00 0.00 C ATOM 625 C ALA X 42 44.478 -3.579 4.171 1.00 0.00 C ATOM 626 O ALA X 42 45.256 -4.034 3.338 1.00 0.00 O ATOM 627 CB ALA X 42 43.681 -5.373 5.705 1.00 0.00 C ATOM 0 H ALA X 42 42.951 -3.072 6.599 1.00 0.00 H new ATOM 0 HA ALA X 42 45.513 -4.305 5.886 1.00 0.00 H new ATOM 0 HB1 ALA X 42 44.088 -6.115 5.018 1.00 0.00 H new ATOM 0 HB2 ALA X 42 43.738 -5.754 6.725 1.00 0.00 H new ATOM 0 HB3 ALA X 42 42.640 -5.174 5.450 1.00 0.00 H new ATOM 633 N ALA X 43 43.617 -2.609 3.909 1.00 0.00 N ATOM 634 CA ALA X 43 43.529 -2.001 2.587 1.00 0.00 C ATOM 635 C ALA X 43 44.799 -1.229 2.253 1.00 0.00 C ATOM 636 O ALA X 43 45.194 -1.150 1.095 1.00 0.00 O ATOM 637 CB ALA X 43 42.323 -1.083 2.499 1.00 0.00 C ATOM 0 H ALA X 43 42.967 -2.224 4.594 1.00 0.00 H new ATOM 0 HA ALA X 43 43.414 -2.804 1.859 1.00 0.00 H new ATOM 0 HB1 ALA X 43 42.275 -0.639 1.505 1.00 0.00 H new ATOM 0 HB2 ALA X 43 41.415 -1.657 2.684 1.00 0.00 H new ATOM 0 HB3 ALA X 43 42.412 -0.293 3.245 1.00 0.00 H new ATOM 643 N LEU X 44 45.425 -0.654 3.276 1.00 0.00 N ATOM 644 CA LEU X 44 46.648 0.125 3.094 1.00 0.00 C ATOM 645 C LEU X 44 47.790 -0.770 2.633 1.00 0.00 C ATOM 646 O LEU X 44 48.627 -0.371 1.820 1.00 0.00 O ATOM 647 CB LEU X 44 47.031 0.810 4.406 1.00 0.00 C ATOM 648 CG LEU X 44 47.439 2.278 4.280 1.00 0.00 C ATOM 649 CD1 LEU X 44 46.266 3.106 3.775 1.00 0.00 C ATOM 650 CD2 LEU X 44 47.941 2.807 5.615 1.00 0.00 C ATOM 0 H LEU X 44 45.105 -0.713 4.243 1.00 0.00 H new ATOM 0 HA LEU X 44 46.464 0.881 2.330 1.00 0.00 H new ATOM 0 HB2 LEU X 44 46.187 0.742 5.092 1.00 0.00 H new ATOM 0 HB3 LEU X 44 47.855 0.258 4.858 1.00 0.00 H new ATOM 0 HG LEU X 44 48.252 2.357 3.558 1.00 0.00 H new ATOM 0 HD11 LEU X 44 46.568 4.150 3.689 1.00 0.00 H new ATOM 0 HD12 LEU X 44 45.954 2.737 2.798 1.00 0.00 H new ATOM 0 HD13 LEU X 44 45.435 3.025 4.476 1.00 0.00 H new ATOM 0 HD21 LEU X 44 48.227 3.853 5.507 1.00 0.00 H new ATOM 0 HD22 LEU X 44 47.150 2.722 6.361 1.00 0.00 H new ATOM 0 HD23 LEU X 44 48.806 2.225 5.935 1.00 0.00 H new ATOM 662 N ASP X 45 47.796 -1.992 3.150 1.00 0.00 N ATOM 663 CA ASP X 45 48.803 -2.985 2.800 1.00 0.00 C ATOM 664 C ASP X 45 48.634 -3.451 1.355 1.00 0.00 C ATOM 665 O ASP X 45 49.599 -3.828 0.691 1.00 0.00 O ATOM 666 CB ASP X 45 48.697 -4.176 3.761 1.00 0.00 C ATOM 667 CG ASP X 45 49.573 -5.343 3.363 1.00 0.00 C ATOM 668 OD1 ASP X 45 50.804 -5.181 3.320 1.00 0.00 O ATOM 669 OD2 ASP X 45 49.021 -6.431 3.105 1.00 0.00 O ATOM 0 H ASP X 45 47.104 -2.322 3.823 1.00 0.00 H new ATOM 0 HA ASP X 45 49.790 -2.532 2.890 1.00 0.00 H new ATOM 0 HB2 ASP X 45 48.971 -3.850 4.764 1.00 0.00 H new ATOM 0 HB3 ASP X 45 47.660 -4.507 3.805 1.00 0.00 H new ATOM 674 N THR X 46 47.393 -3.516 0.901 1.00 0.00 N ATOM 675 CA THR X 46 47.104 -4.055 -0.417 1.00 0.00 C ATOM 676 C THR X 46 47.081 -2.983 -1.516 1.00 0.00 C ATOM 677 O THR X 46 47.231 -3.316 -2.690 1.00 0.00 O ATOM 678 CB THR X 46 45.773 -4.800 -0.384 1.00 0.00 C ATOM 679 OG1 THR X 46 44.751 -3.956 0.102 1.00 0.00 O ATOM 680 CG2 THR X 46 45.792 -6.039 0.484 1.00 0.00 C ATOM 0 H THR X 46 46.574 -3.204 1.423 1.00 0.00 H new ATOM 0 HA THR X 46 47.915 -4.739 -0.668 1.00 0.00 H new ATOM 0 HB THR X 46 45.588 -5.107 -1.413 1.00 0.00 H new ATOM 0 HG1 THR X 46 44.112 -3.769 -0.617 1.00 0.00 H new ATOM 0 HG21 THR X 46 44.812 -6.516 0.459 1.00 0.00 H new ATOM 0 HG22 THR X 46 46.544 -6.734 0.110 1.00 0.00 H new ATOM 0 HG23 THR X 46 46.034 -5.761 1.510 1.00 0.00 H new ATOM 688 N ILE X 47 46.823 -1.713 -1.171 1.00 0.00 N ATOM 689 CA ILE X 47 46.717 -0.679 -2.210 1.00 0.00 C ATOM 690 C ILE X 47 48.078 -0.344 -2.805 1.00 0.00 C ATOM 691 O ILE X 47 48.155 0.067 -3.957 1.00 0.00 O ATOM 692 CB ILE X 47 46.080 0.644 -1.703 1.00 0.00 C ATOM 693 CG1 ILE X 47 46.669 1.051 -0.351 1.00 0.00 C ATOM 694 CG2 ILE X 47 44.562 0.546 -1.625 1.00 0.00 C ATOM 695 CD1 ILE X 47 46.054 2.306 0.228 1.00 0.00 C ATOM 0 H ILE X 47 46.688 -1.385 -0.215 1.00 0.00 H new ATOM 0 HA ILE X 47 46.063 -1.112 -2.966 1.00 0.00 H new ATOM 0 HB ILE X 47 46.321 1.420 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE X 47 46.534 0.232 0.355 1.00 0.00 H new ATOM 0 HG13 ILE X 47 47.743 1.202 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE X 47 44.154 1.491 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE X 47 44.160 0.330 -2.615 1.00 0.00 H new ATOM 0 HG23 ILE X 47 44.284 -0.253 -0.938 1.00 0.00 H new ATOM 0 HD11 ILE X 47 46.522 2.532 1.186 1.00 0.00 H new ATOM 0 HD12 ILE X 47 46.212 3.138 -0.458 1.00 0.00 H new ATOM 0 HD13 ILE X 47 44.985 2.153 0.373 1.00 0.00 H new ATOM 707 N GLN X 48 49.144 -0.553 -2.034 1.00 0.00 N ATOM 708 CA GLN X 48 50.499 -0.292 -2.517 1.00 0.00 C ATOM 709 C GLN X 48 51.540 -0.750 -1.503 1.00 0.00 C ATOM 710 O GLN X 48 52.580 -1.294 -1.874 1.00 0.00 O ATOM 711 CB GLN X 48 50.701 1.204 -2.796 1.00 0.00 C ATOM 712 CG GLN X 48 51.295 1.491 -4.169 1.00 0.00 C ATOM 713 CD GLN X 48 50.288 2.095 -5.133 1.00 0.00 C ATOM 714 OE1 GLN X 48 49.139 2.505 -4.616 1.00 0.00 O flip ATOM 715 NE2 GLN X 48 50.550 2.206 -6.330 1.00 0.00 N flip ATOM 0 H GLN X 48 49.096 -0.901 -1.076 1.00 0.00 H new ATOM 0 HA GLN X 48 50.626 -0.855 -3.442 1.00 0.00 H new ATOM 0 HB2 GLN X 48 49.742 1.714 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN X 48 51.355 1.623 -2.031 1.00 0.00 H new ATOM 0 HG2 GLN X 48 52.139 2.172 -4.059 1.00 0.00 H new ATOM 0 HG3 GLN X 48 51.685 0.565 -4.592 1.00 0.00 H new ATOM 0 HE21 GLN X 48 51.447 1.878 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN X 48 49.871 2.627 -6.964 1.00 0.00 H new ATOM 724 N TYR X 49 51.316 -0.420 -0.237 1.00 0.00 N ATOM 725 CA TYR X 49 52.302 -0.683 0.807 1.00 0.00 C ATOM 726 C TYR X 49 52.197 -2.100 1.351 1.00 0.00 C ATOM 727 O TYR X 49 51.748 -2.304 2.476 1.00 0.00 O ATOM 728 CB TYR X 49 52.143 0.318 1.952 1.00 0.00 C ATOM 729 CG TYR X 49 52.453 1.741 1.552 1.00 0.00 C ATOM 730 CD1 TYR X 49 53.712 2.087 1.078 1.00 0.00 C ATOM 731 CD2 TYR X 49 51.488 2.735 1.638 1.00 0.00 C ATOM 732 CE1 TYR X 49 54.000 3.383 0.702 1.00 0.00 C ATOM 733 CE2 TYR X 49 51.771 4.035 1.265 1.00 0.00 C ATOM 734 CZ TYR X 49 53.028 4.352 0.796 1.00 0.00 C ATOM 735 OH TYR X 49 53.311 5.643 0.415 1.00 0.00 O ATOM 0 H TYR X 49 50.462 0.030 0.093 1.00 0.00 H new ATOM 0 HA TYR X 49 53.287 -0.571 0.353 1.00 0.00 H new ATOM 0 HB2 TYR X 49 51.121 0.269 2.329 1.00 0.00 H new ATOM 0 HB3 TYR X 49 52.799 0.028 2.772 1.00 0.00 H new ATOM 0 HD1 TYR X 49 54.478 1.329 1.003 1.00 0.00 H new ATOM 0 HD2 TYR X 49 50.501 2.489 2.002 1.00 0.00 H new ATOM 0 HE1 TYR X 49 54.984 3.636 0.336 1.00 0.00 H new ATOM 0 HE2 TYR X 49 51.011 4.799 1.340 1.00 0.00 H new ATOM 0 HH TYR X 49 52.517 6.203 0.542 1.00 0.00 H new ATOM 745 N SER X 50 52.691 -3.069 0.589 1.00 0.00 N ATOM 746 CA SER X 50 52.723 -4.452 1.050 1.00 0.00 C ATOM 747 C SER X 50 54.003 -4.728 1.830 1.00 0.00 C ATOM 748 O SER X 50 54.274 -5.859 2.237 1.00 0.00 O ATOM 749 CB SER X 50 52.601 -5.412 -0.134 1.00 0.00 C ATOM 750 OG SER X 50 51.430 -5.134 -0.891 1.00 0.00 O ATOM 0 H SER X 50 53.073 -2.924 -0.346 1.00 0.00 H new ATOM 0 HA SER X 50 51.875 -4.612 1.715 1.00 0.00 H new ATOM 0 HB2 SER X 50 53.481 -5.324 -0.771 1.00 0.00 H new ATOM 0 HB3 SER X 50 52.570 -6.440 0.227 1.00 0.00 H new ATOM 0 HG SER X 50 50.817 -4.587 -0.356 1.00 0.00 H new ATOM 756 N LYS X 51 54.727 -3.659 2.114 1.00 0.00 N ATOM 757 CA LYS X 51 55.923 -3.719 2.940 1.00 0.00 C ATOM 758 C LYS X 51 56.057 -2.427 3.740 1.00 0.00 C ATOM 759 O LYS X 51 56.022 -1.329 3.180 1.00 0.00 O ATOM 760 CB LYS X 51 57.173 -3.989 2.079 1.00 0.00 C ATOM 761 CG LYS X 51 57.273 -3.137 0.820 1.00 0.00 C ATOM 762 CD LYS X 51 58.117 -1.888 1.036 1.00 0.00 C ATOM 763 CE LYS X 51 58.124 -1.002 -0.201 1.00 0.00 C ATOM 764 NZ LYS X 51 58.569 -1.736 -1.419 1.00 0.00 N ATOM 0 H LYS X 51 54.502 -2.722 1.778 1.00 0.00 H new ATOM 0 HA LYS X 51 55.834 -4.549 3.641 1.00 0.00 H new ATOM 0 HB2 LYS X 51 58.061 -3.819 2.688 1.00 0.00 H new ATOM 0 HB3 LYS X 51 57.180 -5.040 1.792 1.00 0.00 H new ATOM 0 HG2 LYS X 51 57.706 -3.731 0.015 1.00 0.00 H new ATOM 0 HG3 LYS X 51 56.272 -2.846 0.500 1.00 0.00 H new ATOM 0 HD2 LYS X 51 57.728 -1.327 1.885 1.00 0.00 H new ATOM 0 HD3 LYS X 51 59.138 -2.176 1.285 1.00 0.00 H new ATOM 0 HE2 LYS X 51 57.123 -0.603 -0.365 1.00 0.00 H new ATOM 0 HE3 LYS X 51 58.783 -0.150 -0.032 1.00 0.00 H new ATOM 0 HZ1 LYS X 51 58.704 -1.063 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS X 51 59.467 -2.223 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS X 51 57.847 -2.435 -1.686 1.00 0.00 H new ATOM 778 N HIS X 52 56.112 -2.558 5.055 1.00 0.00 N ATOM 779 CA HIS X 52 56.144 -1.397 5.935 1.00 0.00 C ATOM 780 C HIS X 52 57.548 -1.181 6.480 1.00 0.00 C ATOM 781 O HIS X 52 58.155 -2.160 6.952 1.00 0.00 O ATOM 782 CB HIS X 52 55.156 -1.563 7.094 1.00 0.00 C ATOM 783 CG HIS X 52 53.744 -1.821 6.656 1.00 0.00 C ATOM 784 ND1 HIS X 52 53.021 -0.978 5.836 1.00 0.00 N ATOM 785 CD2 HIS X 52 52.923 -2.865 6.934 1.00 0.00 C ATOM 786 CE1 HIS X 52 51.812 -1.526 5.649 1.00 0.00 C ATOM 787 NE2 HIS X 52 51.703 -2.671 6.294 1.00 0.00 N ATOM 788 OXT HIS X 52 58.037 -0.040 6.416 1.00 0.00 O ATOM 0 H HIS X 52 56.135 -3.456 5.539 1.00 0.00 H new ATOM 0 HA HIS X 52 55.851 -0.524 5.351 1.00 0.00 H new ATOM 0 HB2 HIS X 52 55.487 -2.388 7.725 1.00 0.00 H new ATOM 0 HB3 HIS X 52 55.177 -0.663 7.708 1.00 0.00 H new ATOM 0 HD2 HIS X 52 53.176 -3.712 7.554 1.00 0.00 H new ATOM 0 HE1 HIS X 52 51.029 -1.087 5.048 1.00 0.00 H new ATOM 0 HE2 HIS X 52 50.891 -3.288 6.319 1.00 0.00 H new TER 796 HIS X 52