USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 454 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: A 23 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.22) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -113:sc= 0.791 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.752 K(o=1.5,f=-0.66!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 24 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.553 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.89) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.83 K(o=0.83,f=-0.53) USER MOD Single : A 56 GLN : amide:sc= -0.0587 X(o=-0.059,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.912 (180deg=0.902) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0.915 (180deg=0.915) USER MOD Single : A 71 TYR OH : rot 144:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 8 N ALA A 12 1.350 2.481 -0.707 1.00 0.00 N ATOM 9 CA ALA A 12 1.792 3.869 -0.770 1.00 0.00 C ATOM 10 C ALA A 12 1.986 4.449 0.625 1.00 0.00 C ATOM 11 O ALA A 12 2.958 5.158 0.884 1.00 0.00 O ATOM 12 CB ALA A 12 0.796 4.706 -1.560 1.00 0.00 C ATOM 0 HA ALA A 12 2.755 3.894 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.139 5.740 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.714 4.313 -2.573 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.179 4.665 -1.075 1.00 0.00 H new ATOM 18 N PRO A 13 1.055 4.142 1.524 1.00 0.00 N ATOM 19 CA PRO A 13 1.136 4.612 2.901 1.00 0.00 C ATOM 20 C PRO A 13 2.483 4.268 3.523 1.00 0.00 C ATOM 21 O PRO A 13 3.108 5.104 4.175 1.00 0.00 O ATOM 22 CB PRO A 13 -0.023 3.900 3.607 1.00 0.00 C ATOM 23 CG PRO A 13 -1.032 3.678 2.533 1.00 0.00 C ATOM 24 CD PRO A 13 -0.235 3.346 1.300 1.00 0.00 C ATOM 0 HA PRO A 13 1.058 5.696 2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.300 2.958 4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.430 4.508 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.711 2.866 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.644 4.567 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -0.044 2.276 1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.749 3.652 0.389 1.00 0.00 H new ATOM 32 N GLY A 14 2.926 3.032 3.317 1.00 0.00 N ATOM 33 CA GLY A 14 4.194 2.570 3.870 1.00 0.00 C ATOM 34 C GLY A 14 5.369 3.316 3.249 1.00 0.00 C ATOM 35 O GLY A 14 6.303 3.710 3.947 1.00 0.00 O ATOM 0 H GLY A 14 2.425 2.332 2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.197 2.715 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.304 1.500 3.692 1.00 0.00 H new ATOM 39 N ILE A 15 5.316 3.505 1.936 1.00 0.00 N ATOM 40 CA ILE A 15 6.367 4.221 1.222 1.00 0.00 C ATOM 41 C ILE A 15 6.472 5.664 1.697 1.00 0.00 C ATOM 42 O ILE A 15 7.567 6.168 1.944 1.00 0.00 O ATOM 43 CB ILE A 15 6.127 4.207 -0.298 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.284 2.788 -0.851 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.083 5.162 -0.996 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.778 2.624 -2.266 1.00 0.00 C ATOM 0 H ILE A 15 4.556 3.172 1.343 1.00 0.00 H new ATOM 0 HA ILE A 15 7.302 3.703 1.438 1.00 0.00 H new ATOM 0 HB ILE A 15 5.107 4.540 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.337 2.510 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.750 2.094 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.900 5.140 -2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.925 6.173 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.111 4.858 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.923 1.593 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.717 2.870 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.329 3.291 -2.929 1.00 0.00 H new ATOM 58 N ILE A 16 5.326 6.325 1.823 1.00 0.00 N ATOM 59 CA ILE A 16 5.292 7.737 2.185 1.00 0.00 C ATOM 60 C ILE A 16 5.691 7.943 3.640 1.00 0.00 C ATOM 61 O ILE A 16 6.425 8.875 3.967 1.00 0.00 O ATOM 62 CB ILE A 16 3.897 8.345 1.953 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.572 8.384 0.458 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.819 9.741 2.553 1.00 0.00 C ATOM 65 CD1 ILE A 16 2.127 8.706 0.155 1.00 0.00 C ATOM 0 H ILE A 16 4.408 5.905 1.680 1.00 0.00 H new ATOM 0 HA ILE A 16 6.011 8.244 1.541 1.00 0.00 H new ATOM 0 HB ILE A 16 3.159 7.715 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.208 9.127 -0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.819 7.418 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.826 10.156 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.008 9.687 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.567 10.381 2.084 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.975 8.715 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.484 7.950 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.879 9.685 0.565 1.00 0.00 H new ATOM 77 N LEU A 17 5.202 7.067 4.511 1.00 0.00 N ATOM 78 CA LEU A 17 5.528 7.135 5.931 1.00 0.00 C ATOM 79 C LEU A 17 7.033 7.081 6.154 1.00 0.00 C ATOM 80 O LEU A 17 7.606 7.953 6.810 1.00 0.00 O ATOM 81 CB LEU A 17 4.835 5.996 6.690 1.00 0.00 C ATOM 82 CG LEU A 17 5.091 5.969 8.202 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.527 7.226 8.850 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.457 4.722 8.803 1.00 0.00 C ATOM 0 H LEU A 17 4.578 6.301 4.258 1.00 0.00 H new ATOM 0 HA LEU A 17 5.166 8.088 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.761 6.069 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.161 5.047 6.265 1.00 0.00 H new ATOM 0 HG LEU A 17 6.165 5.942 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.714 7.197 9.923 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.010 8.104 8.421 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.453 7.278 8.670 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.639 4.703 9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.383 4.734 8.617 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.894 3.835 8.345 1.00 0.00 H new ATOM 96 N ARG A 18 7.671 6.054 5.605 1.00 0.00 N ATOM 97 CA ARG A 18 9.113 5.883 5.743 1.00 0.00 C ATOM 98 C ARG A 18 9.869 7.007 5.045 1.00 0.00 C ATOM 99 O ARG A 18 10.921 7.445 5.514 1.00 0.00 O ATOM 100 CB ARG A 18 9.578 4.517 5.264 1.00 0.00 C ATOM 101 CG ARG A 18 9.172 3.354 6.155 1.00 0.00 C ATOM 102 CD ARG A 18 9.573 2.019 5.640 1.00 0.00 C ATOM 103 NE ARG A 18 9.202 0.906 6.499 1.00 0.00 N ATOM 104 CZ ARG A 18 9.402 -0.392 6.198 1.00 0.00 C ATOM 105 NH1 ARG A 18 9.934 -0.747 5.050 1.00 0.00 N ATOM 106 NH2 ARG A 18 9.028 -1.302 7.081 1.00 0.00 N ATOM 0 H ARG A 18 7.211 5.325 5.059 1.00 0.00 H new ATOM 0 HA ARG A 18 9.342 5.936 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.182 4.345 4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.665 4.528 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.612 3.497 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.090 3.371 6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.121 1.871 4.659 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.654 2.008 5.498 1.00 0.00 H new ATOM 0 HE ARG A 18 8.759 1.123 7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.203 -0.035 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.078 -1.734 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.601 -1.013 7.961 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.166 -2.293 6.882 1.00 0.00 H new ATOM 120 N TYR A 19 9.329 7.469 3.923 1.00 0.00 N ATOM 121 CA TYR A 19 9.889 8.619 3.221 1.00 0.00 C ATOM 122 C TYR A 19 9.980 9.832 4.137 1.00 0.00 C ATOM 123 O TYR A 19 11.026 10.474 4.230 1.00 0.00 O ATOM 124 CB TYR A 19 9.048 8.953 1.988 1.00 0.00 C ATOM 125 CG TYR A 19 9.373 10.295 1.369 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.495 10.458 0.570 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.556 11.394 1.585 1.00 0.00 C ATOM 128 CE1 TYR A 19 10.798 11.681 0.003 1.00 0.00 C ATOM 129 CE2 TYR A 19 8.848 12.621 1.023 1.00 0.00 C ATOM 130 CZ TYR A 19 9.970 12.761 0.232 1.00 0.00 C ATOM 131 OH TYR A 19 10.265 13.982 -0.331 1.00 0.00 O ATOM 0 H TYR A 19 8.504 7.065 3.480 1.00 0.00 H new ATOM 0 HA TYR A 19 10.898 8.357 2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.193 8.174 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.994 8.937 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.143 9.614 0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.677 11.289 2.203 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.677 11.791 -0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.201 13.467 1.202 1.00 0.00 H new ATOM 0 HH TYR A 19 10.500 14.620 0.375 1.00 0.00 H new ATOM 141 N LEU A 20 8.878 10.144 4.809 1.00 0.00 N ATOM 142 CA LEU A 20 8.813 11.316 5.674 1.00 0.00 C ATOM 143 C LEU A 20 9.730 11.163 6.881 1.00 0.00 C ATOM 144 O LEU A 20 10.317 12.136 7.354 1.00 0.00 O ATOM 145 CB LEU A 20 7.368 11.560 6.129 1.00 0.00 C ATOM 146 CG LEU A 20 6.410 12.038 5.032 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.981 12.057 5.558 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.829 13.422 4.559 1.00 0.00 C ATOM 0 H LEU A 20 8.016 9.601 4.771 1.00 0.00 H new ATOM 0 HA LEU A 20 9.154 12.178 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.977 10.635 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.376 12.300 6.930 1.00 0.00 H new ATOM 0 HG LEU A 20 6.453 11.351 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.308 12.398 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.695 11.053 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.916 12.734 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.148 13.762 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.797 14.118 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.843 13.379 4.162 1.00 0.00 H new ATOM 160 N GLN A 21 9.849 9.935 7.374 1.00 0.00 N ATOM 161 CA GLN A 21 10.694 9.651 8.529 1.00 0.00 C ATOM 162 C GLN A 21 12.169 9.802 8.182 1.00 0.00 C ATOM 163 O GLN A 21 12.950 10.338 8.969 1.00 0.00 O ATOM 164 CB GLN A 21 10.427 8.239 9.054 1.00 0.00 C ATOM 165 CG GLN A 21 9.098 8.080 9.771 1.00 0.00 C ATOM 166 CD GLN A 21 8.823 6.644 10.171 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.579 5.731 9.823 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.734 6.431 10.901 1.00 0.00 N ATOM 0 H GLN A 21 9.371 9.119 6.992 1.00 0.00 H new ATOM 0 HA GLN A 21 10.447 10.374 9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.461 7.541 8.218 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.230 7.960 9.736 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.091 8.709 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.295 8.434 9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.137 7.214 11.167 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.495 5.484 11.196 1.00 0.00 H new ATOM 177 N GLU A 22 12.546 9.326 7.000 1.00 0.00 N ATOM 178 CA GLU A 22 13.936 9.369 6.564 1.00 0.00 C ATOM 179 C GLU A 22 14.377 10.797 6.271 1.00 0.00 C ATOM 180 O GLU A 22 15.506 11.185 6.577 1.00 0.00 O ATOM 181 CB GLU A 22 14.137 8.491 5.327 1.00 0.00 C ATOM 182 CG GLU A 22 14.093 6.995 5.604 1.00 0.00 C ATOM 183 CD GLU A 22 14.152 6.202 4.329 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.152 6.799 3.279 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.309 5.006 4.403 1.00 0.00 O ATOM 0 H GLU A 22 11.906 8.905 6.326 1.00 0.00 H new ATOM 0 HA GLU A 22 14.552 8.982 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.368 8.735 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.098 8.736 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.928 6.717 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.179 6.750 6.145 1.00 0.00 H new ATOM 192 N GLN A 23 13.483 11.577 5.673 1.00 0.00 N ATOM 193 CA GLN A 23 13.784 12.959 5.319 1.00 0.00 C ATOM 194 C GLN A 23 13.674 13.874 6.530 1.00 0.00 C ATOM 195 O GLN A 23 14.437 14.832 6.669 1.00 0.00 O ATOM 196 CB GLN A 23 12.842 13.447 4.215 1.00 0.00 C ATOM 197 CG GLN A 23 13.000 12.714 2.894 1.00 0.00 C ATOM 198 CD GLN A 23 14.411 12.802 2.347 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.004 13.883 2.290 1.00 0.00 O ATOM 200 NE2 GLN A 23 14.958 11.663 1.937 1.00 0.00 N ATOM 0 H GLN A 23 12.542 11.274 5.423 1.00 0.00 H new ATOM 0 HA GLN A 23 14.811 12.991 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.813 13.339 4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.013 14.511 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.731 11.666 3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.305 13.131 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.432 10.792 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.904 11.660 1.557 1.00 0.00 H new ATOM 209 N ASN A 24 12.721 13.577 7.407 1.00 0.00 N ATOM 210 CA ASN A 24 12.499 14.383 8.601 1.00 0.00 C ATOM 211 C ASN A 24 12.153 15.821 8.238 1.00 0.00 C ATOM 212 O ASN A 24 12.535 16.758 8.939 1.00 0.00 O ATOM 213 CB ASN A 24 13.702 14.350 9.525 1.00 0.00 C ATOM 214 CG ASN A 24 13.386 14.731 10.945 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.266 14.530 11.428 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.341 15.352 11.588 1.00 0.00 N ATOM 0 H ASN A 24 12.089 12.782 7.313 1.00 0.00 H new ATOM 0 HA ASN A 24 11.652 13.947 9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.130 13.347 9.514 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.464 15.026 9.138 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.179 15.696 12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.248 15.492 11.143 1.00 0.00 H new ATOM 223 N ARG A 25 11.428 15.991 7.137 1.00 0.00 N ATOM 224 CA ARG A 25 11.056 17.318 6.661 1.00 0.00 C ATOM 225 C ARG A 25 9.623 17.337 6.148 1.00 0.00 C ATOM 226 O ARG A 25 9.111 16.326 5.669 1.00 0.00 O ATOM 227 CB ARG A 25 12.029 17.846 5.616 1.00 0.00 C ATOM 228 CG ARG A 25 13.446 18.075 6.120 1.00 0.00 C ATOM 229 CD ARG A 25 13.584 19.222 7.055 1.00 0.00 C ATOM 230 NE ARG A 25 14.956 19.543 7.416 1.00 0.00 N ATOM 231 CZ ARG A 25 15.641 18.954 8.416 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.078 18.044 9.179 1.00 0.00 N ATOM 233 NH2 ARG A 25 16.890 19.335 8.625 1.00 0.00 N ATOM 0 H ARG A 25 11.086 15.225 6.557 1.00 0.00 H new ATOM 0 HA ARG A 25 11.114 17.993 7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.064 17.142 4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.642 18.786 5.222 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.792 17.170 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.102 18.238 5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.125 20.101 6.602 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.024 19.003 7.964 1.00 0.00 H new ATOM 0 HE ARG A 25 15.433 20.264 6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.108 17.773 9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.611 17.608 9.931 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.309 20.056 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.435 18.908 9.374 1.00 0.00 H new ATOM 247 N PRO A 26 8.979 18.495 6.249 1.00 0.00 N ATOM 248 CA PRO A 26 7.626 18.668 5.734 1.00 0.00 C ATOM 249 C PRO A 26 7.621 18.728 4.211 1.00 0.00 C ATOM 250 O PRO A 26 8.450 19.405 3.604 1.00 0.00 O ATOM 251 CB PRO A 26 7.150 19.980 6.364 1.00 0.00 C ATOM 252 CG PRO A 26 8.398 20.771 6.564 1.00 0.00 C ATOM 253 CD PRO A 26 9.463 19.759 6.896 1.00 0.00 C ATOM 0 HA PRO A 26 6.969 17.836 5.985 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.449 20.502 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.636 19.803 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.656 21.332 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.279 21.495 7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.435 20.060 6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.576 19.638 7.973 1.00 0.00 H new ATOM 261 N TYR A 27 6.680 18.015 3.600 1.00 0.00 N ATOM 262 CA TYR A 27 6.527 18.035 2.150 1.00 0.00 C ATOM 263 C TYR A 27 5.062 18.167 1.754 1.00 0.00 C ATOM 264 O TYR A 27 4.183 17.575 2.381 1.00 0.00 O ATOM 265 CB TYR A 27 7.125 16.769 1.532 1.00 0.00 C ATOM 266 CG TYR A 27 8.624 16.654 1.701 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.490 17.286 0.821 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.168 15.913 2.739 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.859 17.184 0.971 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.536 15.805 2.900 1.00 0.00 C ATOM 271 CZ TYR A 27 11.379 16.442 2.012 1.00 0.00 C ATOM 272 OH TYR A 27 12.743 16.338 2.164 1.00 0.00 O ATOM 0 H TYR A 27 6.012 17.417 4.086 1.00 0.00 H new ATOM 0 HA TYR A 27 7.064 18.904 1.769 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.650 15.897 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.886 16.748 0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.087 17.867 0.005 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.511 15.411 3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.520 17.682 0.277 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.943 15.226 3.716 1.00 0.00 H new ATOM 0 HH TYR A 27 13.173 17.150 1.823 1.00 0.00 H new ATOM 282 N SER A 28 4.805 18.947 0.709 1.00 0.00 N ATOM 283 CA SER A 28 3.448 19.137 0.211 1.00 0.00 C ATOM 284 C SER A 28 2.931 17.878 -0.471 1.00 0.00 C ATOM 285 O SER A 28 3.698 16.965 -0.776 1.00 0.00 O ATOM 286 CB SER A 28 3.404 20.312 -0.747 1.00 0.00 C ATOM 287 OG SER A 28 4.000 20.010 -1.979 1.00 0.00 O ATOM 0 H SER A 28 5.519 19.458 0.190 1.00 0.00 H new ATOM 0 HA SER A 28 2.800 19.348 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.368 20.609 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.913 21.165 -0.298 1.00 0.00 H new ATOM 0 HG SER A 28 3.950 20.792 -2.567 1.00 0.00 H new ATOM 293 N ALA A 29 1.624 17.834 -0.708 1.00 0.00 N ATOM 294 CA ALA A 29 1.021 16.757 -1.484 1.00 0.00 C ATOM 295 C ALA A 29 1.701 16.608 -2.839 1.00 0.00 C ATOM 296 O ALA A 29 1.850 15.498 -3.352 1.00 0.00 O ATOM 297 CB ALA A 29 -0.470 17.000 -1.660 1.00 0.00 C ATOM 0 H ALA A 29 0.961 18.533 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 29 1.161 15.826 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.905 16.187 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.949 17.044 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.626 17.944 -2.183 1.00 0.00 H new ATOM 303 N GLN A 30 2.114 17.732 -3.416 1.00 0.00 N ATOM 304 CA GLN A 30 2.787 17.727 -4.709 1.00 0.00 C ATOM 305 C GLN A 30 4.239 17.284 -4.573 1.00 0.00 C ATOM 306 O GLN A 30 4.768 16.587 -5.438 1.00 0.00 O ATOM 307 CB GLN A 30 2.729 19.117 -5.348 1.00 0.00 C ATOM 308 CG GLN A 30 1.338 19.543 -5.786 1.00 0.00 C ATOM 309 CD GLN A 30 1.321 20.936 -6.384 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.335 21.641 -6.382 1.00 0.00 O ATOM 311 NE2 GLN A 30 0.166 21.345 -6.898 1.00 0.00 N ATOM 0 H GLN A 30 1.994 18.659 -3.007 1.00 0.00 H new ATOM 0 HA GLN A 30 2.267 17.015 -5.350 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.114 19.848 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.392 19.135 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.957 18.832 -6.519 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.664 19.510 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.647 20.730 -6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.093 22.274 -7.312 1.00 0.00 H new ATOM 320 N ASP A 31 4.876 17.693 -3.482 1.00 0.00 N ATOM 321 CA ASP A 31 6.251 17.295 -3.204 1.00 0.00 C ATOM 322 C ASP A 31 6.373 15.781 -3.085 1.00 0.00 C ATOM 323 O ASP A 31 7.237 15.167 -3.711 1.00 0.00 O ATOM 324 CB ASP A 31 6.755 17.965 -1.922 1.00 0.00 C ATOM 325 CG ASP A 31 6.973 19.467 -2.042 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.062 19.949 -3.145 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.891 20.139 -1.041 1.00 0.00 O ATOM 0 H ASP A 31 4.462 18.300 -2.775 1.00 0.00 H new ATOM 0 HA ASP A 31 6.868 17.622 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.039 17.777 -1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.694 17.496 -1.626 1.00 0.00 H new ATOM 332 N VAL A 32 5.501 15.184 -2.278 1.00 0.00 N ATOM 333 CA VAL A 32 5.559 13.751 -2.015 1.00 0.00 C ATOM 334 C VAL A 32 5.288 12.947 -3.279 1.00 0.00 C ATOM 335 O VAL A 32 6.025 12.016 -3.605 1.00 0.00 O ATOM 336 CB VAL A 32 4.550 13.335 -0.928 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.489 11.820 -0.809 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.921 13.959 0.410 1.00 0.00 C ATOM 0 H VAL A 32 4.746 15.671 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 32 6.568 13.538 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 32 3.564 13.698 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.771 11.544 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.178 11.392 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.474 11.436 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.198 13.655 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.916 13.625 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.915 15.045 0.319 1.00 0.00 H new ATOM 348 N PHE A 33 4.226 13.311 -3.990 1.00 0.00 N ATOM 349 CA PHE A 33 3.891 12.666 -5.254 1.00 0.00 C ATOM 350 C PHE A 33 5.042 12.765 -6.246 1.00 0.00 C ATOM 351 O PHE A 33 5.500 11.757 -6.784 1.00 0.00 O ATOM 352 CB PHE A 33 2.626 13.284 -5.851 1.00 0.00 C ATOM 353 CG PHE A 33 2.358 12.866 -7.269 1.00 0.00 C ATOM 354 CD1 PHE A 33 1.890 11.592 -7.555 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.575 13.745 -8.320 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.643 11.206 -8.859 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.329 13.362 -9.624 1.00 0.00 C ATOM 358 CZ PHE A 33 1.863 12.090 -9.893 1.00 0.00 C ATOM 0 H PHE A 33 3.581 14.051 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 33 3.708 11.611 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.772 13.008 -5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.710 14.370 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.717 10.894 -6.750 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.941 14.741 -8.116 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.278 10.211 -9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.501 14.057 -10.433 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.671 11.789 -10.912 1.00 0.00 H new ATOM 368 N GLY A 34 5.507 13.986 -6.484 1.00 0.00 N ATOM 369 CA GLY A 34 6.514 14.237 -7.508 1.00 0.00 C ATOM 370 C GLY A 34 7.774 13.420 -7.253 1.00 0.00 C ATOM 371 O GLY A 34 8.354 12.851 -8.178 1.00 0.00 O ATOM 0 H GLY A 34 5.202 14.819 -5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.109 13.989 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.763 15.298 -7.525 1.00 0.00 H new ATOM 375 N ASN A 35 8.193 13.365 -5.994 1.00 0.00 N ATOM 376 CA ASN A 35 9.439 12.700 -5.629 1.00 0.00 C ATOM 377 C ASN A 35 9.296 11.185 -5.700 1.00 0.00 C ATOM 378 O ASN A 35 10.236 10.480 -6.066 1.00 0.00 O ATOM 379 CB ASN A 35 9.907 13.118 -4.247 1.00 0.00 C ATOM 380 CG ASN A 35 10.454 14.517 -4.191 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.813 15.107 -5.217 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.597 15.020 -2.992 1.00 0.00 N ATOM 0 H ASN A 35 7.688 13.773 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 35 10.193 13.010 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.073 13.036 -3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.675 12.423 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.021 15.940 -2.872 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.284 14.493 -2.177 1.00 0.00 H new ATOM 389 N LEU A 36 8.113 10.690 -5.350 1.00 0.00 N ATOM 390 CA LEU A 36 7.858 9.255 -5.336 1.00 0.00 C ATOM 391 C LEU A 36 7.300 8.781 -6.672 1.00 0.00 C ATOM 392 O LEU A 36 7.120 7.583 -6.891 1.00 0.00 O ATOM 393 CB LEU A 36 6.893 8.899 -4.198 1.00 0.00 C ATOM 394 CG LEU A 36 7.384 9.257 -2.789 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.326 8.890 -1.758 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.689 8.527 -2.505 1.00 0.00 C ATOM 0 H LEU A 36 7.316 11.262 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 36 8.807 8.745 -5.169 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.945 9.407 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.693 7.828 -4.234 1.00 0.00 H new ATOM 0 HG LEU A 36 7.561 10.331 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.684 9.148 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.408 9.439 -1.967 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.127 7.819 -1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.038 8.781 -1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.526 7.451 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.439 8.825 -3.237 1.00 0.00 H new ATOM 408 N GLN A 37 7.026 9.729 -7.562 1.00 0.00 N ATOM 409 CA GLN A 37 6.555 9.406 -8.904 1.00 0.00 C ATOM 410 C GLN A 37 7.636 8.700 -9.712 1.00 0.00 C ATOM 411 O GLN A 37 7.363 7.726 -10.413 1.00 0.00 O ATOM 412 CB GLN A 37 6.110 10.676 -9.635 1.00 0.00 C ATOM 413 CG GLN A 37 5.573 10.433 -11.035 1.00 0.00 C ATOM 414 CD GLN A 37 5.158 11.717 -11.727 1.00 0.00 C ATOM 415 OE1 GLN A 37 5.347 12.814 -11.195 1.00 0.00 O ATOM 416 NE2 GLN A 37 4.584 11.587 -12.917 1.00 0.00 N ATOM 0 H GLN A 37 7.122 10.728 -7.378 1.00 0.00 H new ATOM 0 HA GLN A 37 5.704 8.733 -8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.340 11.171 -9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.955 11.362 -9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.335 9.932 -11.632 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.717 9.760 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.448 10.659 -13.319 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.279 12.415 -13.429 1.00 0.00 H new ATOM 425 N LYS A 38 8.864 9.197 -9.611 1.00 0.00 N ATOM 426 CA LYS A 38 9.971 8.668 -10.397 1.00 0.00 C ATOM 427 C LYS A 38 10.659 7.518 -9.673 1.00 0.00 C ATOM 428 O LYS A 38 11.268 6.652 -10.301 1.00 0.00 O ATOM 429 CB LYS A 38 10.983 9.772 -10.708 1.00 0.00 C ATOM 430 CG LYS A 38 10.446 10.884 -11.600 1.00 0.00 C ATOM 431 CD LYS A 38 11.513 11.929 -11.884 1.00 0.00 C ATOM 432 CE LYS A 38 10.978 13.039 -12.777 1.00 0.00 C ATOM 433 NZ LYS A 38 12.010 14.075 -13.057 1.00 0.00 N ATOM 0 H LYS A 38 9.117 9.967 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 38 9.563 8.287 -11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.326 10.209 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.853 9.325 -11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.090 10.460 -12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.590 11.357 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.867 12.354 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.370 11.456 -12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.629 12.612 -13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.116 13.505 -12.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.605 14.812 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.325 14.502 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.822 13.636 -13.536 1.00 0.00 H new ATOM 447 N GLU A 39 10.558 7.513 -8.348 1.00 0.00 N ATOM 448 CA GLU A 39 11.272 6.541 -7.528 1.00 0.00 C ATOM 449 C GLU A 39 10.481 5.246 -7.395 1.00 0.00 C ATOM 450 O GLU A 39 11.041 4.153 -7.479 1.00 0.00 O ATOM 451 CB GLU A 39 11.565 7.121 -6.143 1.00 0.00 C ATOM 452 CG GLU A 39 12.576 8.260 -6.140 1.00 0.00 C ATOM 453 CD GLU A 39 12.798 8.789 -4.751 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.164 8.307 -3.843 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.680 9.598 -4.578 1.00 0.00 O ATOM 0 H GLU A 39 9.988 8.172 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 39 12.216 6.315 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.632 7.478 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.933 6.323 -5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.522 7.911 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.223 9.064 -6.786 1.00 0.00 H new ATOM 462 N HIS A 40 9.175 5.375 -7.190 1.00 0.00 N ATOM 463 CA HIS A 40 8.326 4.223 -6.905 1.00 0.00 C ATOM 464 C HIS A 40 7.225 4.079 -7.947 1.00 0.00 C ATOM 465 O HIS A 40 6.836 2.967 -8.303 1.00 0.00 O ATOM 466 CB HIS A 40 7.711 4.337 -5.506 1.00 0.00 C ATOM 467 CG HIS A 40 8.718 4.264 -4.399 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.327 5.384 -3.873 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.220 3.207 -3.719 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.162 5.017 -2.916 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.116 3.703 -2.803 1.00 0.00 N ATOM 0 H HIS A 40 8.680 6.267 -7.216 1.00 0.00 H new ATOM 0 HA HIS A 40 8.954 3.333 -6.944 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.170 5.281 -5.432 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.980 3.539 -5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.964 2.168 -3.868 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.778 5.680 -2.326 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.658 3.146 -2.143 1.00 0.00 H new ATOM 479 N GLY A 41 6.726 5.210 -8.434 1.00 0.00 N ATOM 480 CA GLY A 41 5.706 5.212 -9.475 1.00 0.00 C ATOM 481 C GLY A 41 4.307 5.255 -8.874 1.00 0.00 C ATOM 482 O GLY A 41 3.366 4.683 -9.425 1.00 0.00 O ATOM 0 H GLY A 41 7.012 6.138 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.851 6.072 -10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.812 4.321 -10.094 1.00 0.00 H new ATOM 486 N LEU A 42 4.174 5.937 -7.742 1.00 0.00 N ATOM 487 CA LEU A 42 2.886 6.069 -7.071 1.00 0.00 C ATOM 488 C LEU A 42 1.978 7.042 -7.812 1.00 0.00 C ATOM 489 O LEU A 42 2.436 8.055 -8.340 1.00 0.00 O ATOM 490 CB LEU A 42 3.088 6.524 -5.621 1.00 0.00 C ATOM 491 CG LEU A 42 3.860 5.543 -4.729 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.056 6.141 -3.343 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.101 4.227 -4.647 1.00 0.00 C ATOM 0 H LEU A 42 4.945 6.408 -7.269 1.00 0.00 H new ATOM 0 HA LEU A 42 2.402 5.092 -7.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.616 7.477 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.110 6.704 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 42 4.843 5.355 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.605 5.437 -2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.620 7.070 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.084 6.344 -2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.649 3.530 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.113 4.403 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.997 3.804 -5.646 1.00 0.00 H new ATOM 505 N GLY A 43 0.687 6.729 -7.845 1.00 0.00 N ATOM 506 CA GLY A 43 -0.282 7.550 -8.561 1.00 0.00 C ATOM 507 C GLY A 43 -0.703 8.757 -7.731 1.00 0.00 C ATOM 508 O GLY A 43 -0.432 8.821 -6.531 1.00 0.00 O ATOM 0 H GLY A 43 0.287 5.912 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.149 7.886 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.159 6.951 -8.807 1.00 0.00 H new ATOM 512 N LYS A 44 -1.367 9.710 -8.376 1.00 0.00 N ATOM 513 CA LYS A 44 -1.805 10.927 -7.703 1.00 0.00 C ATOM 514 C LYS A 44 -2.795 10.615 -6.589 1.00 0.00 C ATOM 515 O LYS A 44 -2.623 11.052 -5.452 1.00 0.00 O ATOM 516 CB LYS A 44 -2.431 11.897 -8.706 1.00 0.00 C ATOM 517 CG LYS A 44 -2.896 13.215 -8.100 1.00 0.00 C ATOM 518 CD LYS A 44 -3.459 14.146 -9.165 1.00 0.00 C ATOM 519 CE LYS A 44 -3.957 15.447 -8.555 1.00 0.00 C ATOM 520 NZ LYS A 44 -4.534 16.357 -9.582 1.00 0.00 N ATOM 0 H LYS A 44 -1.614 9.663 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.928 11.395 -7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.705 12.108 -9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.282 11.410 -9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.657 13.022 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.061 13.700 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.690 14.361 -9.907 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.277 13.651 -9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.711 15.228 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.133 15.949 -8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.862 17.232 -9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.807 16.587 -10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.337 15.889 -10.049 1.00 0.00 H new ATOM 534 N ALA A 45 -3.834 9.855 -6.923 1.00 0.00 N ATOM 535 CA ALA A 45 -4.843 9.464 -5.945 1.00 0.00 C ATOM 536 C ALA A 45 -4.247 8.564 -4.870 1.00 0.00 C ATOM 537 O ALA A 45 -4.630 8.639 -3.702 1.00 0.00 O ATOM 538 CB ALA A 45 -6.009 8.773 -6.636 1.00 0.00 C ATOM 0 H ALA A 45 -3.999 9.498 -7.864 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.211 10.367 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.754 8.487 -5.894 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.459 9.454 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.650 7.882 -7.152 1.00 0.00 H new ATOM 544 N ALA A 46 -3.310 7.713 -5.271 1.00 0.00 N ATOM 545 CA ALA A 46 -2.657 6.798 -4.342 1.00 0.00 C ATOM 546 C ALA A 46 -1.906 7.558 -3.257 1.00 0.00 C ATOM 547 O ALA A 46 -1.997 7.227 -2.075 1.00 0.00 O ATOM 548 CB ALA A 46 -1.716 5.865 -5.089 1.00 0.00 C ATOM 0 H ALA A 46 -2.985 7.637 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.430 6.201 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.237 5.189 -4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.282 5.286 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.954 6.451 -5.603 1.00 0.00 H new ATOM 554 N VAL A 47 -1.160 8.580 -3.666 1.00 0.00 N ATOM 555 CA VAL A 47 -0.374 9.378 -2.733 1.00 0.00 C ATOM 556 C VAL A 47 -1.273 10.206 -1.824 1.00 0.00 C ATOM 557 O VAL A 47 -1.089 10.231 -0.607 1.00 0.00 O ATOM 558 CB VAL A 47 0.598 10.317 -3.471 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.216 11.313 -2.501 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.683 9.515 -4.173 1.00 0.00 C ATOM 0 H VAL A 47 -1.084 8.875 -4.639 1.00 0.00 H new ATOM 0 HA VAL A 47 0.202 8.677 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 47 0.037 10.871 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.900 11.969 -3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.428 11.910 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.763 10.775 -1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.361 10.194 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.241 8.935 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.226 8.840 -4.896 1.00 0.00 H new ATOM 570 N VAL A 48 -2.248 10.883 -2.421 1.00 0.00 N ATOM 571 CA VAL A 48 -3.132 11.771 -1.676 1.00 0.00 C ATOM 572 C VAL A 48 -3.963 10.997 -0.661 1.00 0.00 C ATOM 573 O VAL A 48 -4.109 11.418 0.487 1.00 0.00 O ATOM 574 CB VAL A 48 -4.077 12.545 -2.614 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.135 13.286 -1.811 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.289 13.519 -3.478 1.00 0.00 C ATOM 0 H VAL A 48 -2.446 10.833 -3.420 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.493 12.482 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.577 11.829 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.794 13.827 -2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.719 12.571 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.651 13.991 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.972 14.058 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.764 14.229 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.566 12.969 -4.080 1.00 0.00 H new ATOM 586 N LYS A 49 -4.506 9.863 -1.090 1.00 0.00 N ATOM 587 CA LYS A 49 -5.315 9.022 -0.216 1.00 0.00 C ATOM 588 C LYS A 49 -4.461 8.369 0.864 1.00 0.00 C ATOM 589 O LYS A 49 -4.905 8.194 1.999 1.00 0.00 O ATOM 590 CB LYS A 49 -6.044 7.951 -1.028 1.00 0.00 C ATOM 591 CG LYS A 49 -7.169 8.485 -1.906 1.00 0.00 C ATOM 592 CD LYS A 49 -7.836 7.365 -2.692 1.00 0.00 C ATOM 593 CE LYS A 49 -8.946 7.900 -3.584 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.597 6.818 -4.371 1.00 0.00 N ATOM 0 H LYS A 49 -4.400 9.505 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.053 9.660 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.320 7.435 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.455 7.209 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.910 8.988 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.773 9.230 -2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.092 6.853 -3.302 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.245 6.627 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.694 8.403 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.537 8.647 -4.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.347 7.224 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.889 6.354 -4.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.010 6.118 -3.723 1.00 0.00 H new ATOM 608 N ALA A 50 -3.233 8.011 0.505 1.00 0.00 N ATOM 609 CA ALA A 50 -2.292 7.436 1.459 1.00 0.00 C ATOM 610 C ALA A 50 -1.883 8.457 2.512 1.00 0.00 C ATOM 611 O ALA A 50 -1.696 8.118 3.680 1.00 0.00 O ATOM 612 CB ALA A 50 -1.068 6.895 0.735 1.00 0.00 C ATOM 0 H ALA A 50 -2.866 8.109 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.789 6.611 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.375 6.469 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.374 6.123 0.029 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.577 7.705 0.196 1.00 0.00 H new ATOM 618 N LEU A 51 -1.744 9.711 2.091 1.00 0.00 N ATOM 619 CA LEU A 51 -1.419 10.796 3.009 1.00 0.00 C ATOM 620 C LEU A 51 -2.532 11.007 4.029 1.00 0.00 C ATOM 621 O LEU A 51 -2.272 11.159 5.223 1.00 0.00 O ATOM 622 CB LEU A 51 -1.159 12.091 2.229 1.00 0.00 C ATOM 623 CG LEU A 51 0.174 12.139 1.471 1.00 0.00 C ATOM 624 CD1 LEU A 51 0.173 13.301 0.487 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.318 12.275 2.465 1.00 0.00 C ATOM 0 H LEU A 51 -1.852 10.000 1.119 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.514 10.521 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.970 12.236 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.193 12.929 2.925 1.00 0.00 H new ATOM 0 HG LEU A 51 0.306 11.215 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.123 13.327 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.640 13.172 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.035 14.237 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.265 12.309 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.194 13.193 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.316 11.420 3.142 1.00 0.00 H new ATOM 637 N ASP A 52 -3.772 11.012 3.551 1.00 0.00 N ATOM 638 CA ASP A 52 -4.929 11.152 4.427 1.00 0.00 C ATOM 639 C ASP A 52 -5.130 9.905 5.278 1.00 0.00 C ATOM 640 O ASP A 52 -5.611 9.982 6.408 1.00 0.00 O ATOM 641 CB ASP A 52 -6.190 11.437 3.608 1.00 0.00 C ATOM 642 CG ASP A 52 -6.259 12.845 3.030 1.00 0.00 C ATOM 643 OD1 ASP A 52 -5.482 13.673 3.443 1.00 0.00 O ATOM 644 OD2 ASP A 52 -6.976 13.040 2.079 1.00 0.00 O ATOM 0 H ASP A 52 -4.001 10.921 2.561 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.741 11.994 5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.248 10.718 2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.063 11.273 4.239 1.00 0.00 H new ATOM 649 N GLN A 53 -4.757 8.754 4.729 1.00 0.00 N ATOM 650 CA GLN A 53 -4.825 7.495 5.464 1.00 0.00 C ATOM 651 C GLN A 53 -3.862 7.494 6.643 1.00 0.00 C ATOM 652 O GLN A 53 -4.223 7.099 7.752 1.00 0.00 O ATOM 653 CB GLN A 53 -4.513 6.317 4.538 1.00 0.00 C ATOM 654 CG GLN A 53 -4.613 4.956 5.208 1.00 0.00 C ATOM 655 CD GLN A 53 -6.019 4.648 5.684 1.00 0.00 C ATOM 656 OE1 GLN A 53 -7.003 5.039 5.052 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.122 3.948 6.809 1.00 0.00 N ATOM 0 H GLN A 53 -4.404 8.666 3.776 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.840 7.389 5.848 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.198 6.344 3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.506 6.440 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.292 4.185 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.929 4.920 6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.281 3.645 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.042 3.714 7.182 1.00 0.00 H new ATOM 666 N LEU A 54 -2.633 7.936 6.397 1.00 0.00 N ATOM 667 CA LEU A 54 -1.621 8.008 7.444 1.00 0.00 C ATOM 668 C LEU A 54 -2.016 9.008 8.525 1.00 0.00 C ATOM 669 O LEU A 54 -1.828 8.756 9.714 1.00 0.00 O ATOM 670 CB LEU A 54 -0.261 8.383 6.842 1.00 0.00 C ATOM 671 CG LEU A 54 0.383 7.303 5.963 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.581 7.881 5.221 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.801 6.125 6.828 1.00 0.00 C ATOM 0 H LEU A 54 -2.314 8.250 5.481 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.544 7.025 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.382 9.289 6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.424 8.624 7.655 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.340 6.955 5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.032 7.107 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.254 8.708 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.315 8.242 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.258 5.358 6.202 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.520 6.460 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.075 5.711 7.327 1.00 0.00 H new ATOM 685 N ALA A 55 -2.563 10.143 8.102 1.00 0.00 N ATOM 686 CA ALA A 55 -3.022 11.165 9.034 1.00 0.00 C ATOM 687 C ALA A 55 -4.183 10.659 9.880 1.00 0.00 C ATOM 688 O ALA A 55 -4.265 10.949 11.074 1.00 0.00 O ATOM 689 CB ALA A 55 -3.420 12.427 8.282 1.00 0.00 C ATOM 0 H ALA A 55 -2.699 10.378 7.119 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.198 11.403 9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.761 13.181 8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.560 12.809 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.225 12.196 7.584 1.00 0.00 H new ATOM 695 N GLN A 56 -5.078 9.903 9.256 1.00 0.00 N ATOM 696 CA GLN A 56 -6.197 9.295 9.966 1.00 0.00 C ATOM 697 C GLN A 56 -5.713 8.270 10.983 1.00 0.00 C ATOM 698 O GLN A 56 -6.309 8.108 12.048 1.00 0.00 O ATOM 699 CB GLN A 56 -7.160 8.629 8.980 1.00 0.00 C ATOM 700 CG GLN A 56 -8.425 8.082 9.618 1.00 0.00 C ATOM 701 CD GLN A 56 -9.271 9.171 10.251 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.493 10.230 9.657 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.746 8.918 11.466 1.00 0.00 N ATOM 0 H GLN A 56 -5.051 9.696 8.258 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.721 10.089 10.498 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.437 9.354 8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.640 7.815 8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.014 7.561 8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.157 7.346 10.377 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.538 8.029 11.920 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.319 9.613 11.944 1.00 0.00 H new ATOM 712 N GLU A 57 -4.627 7.580 10.649 1.00 0.00 N ATOM 713 CA GLU A 57 -4.061 6.568 11.533 1.00 0.00 C ATOM 714 C GLU A 57 -3.194 7.204 12.613 1.00 0.00 C ATOM 715 O GLU A 57 -2.702 6.520 13.510 1.00 0.00 O ATOM 716 CB GLU A 57 -3.243 5.554 10.731 1.00 0.00 C ATOM 717 CG GLU A 57 -4.069 4.668 9.809 1.00 0.00 C ATOM 718 CD GLU A 57 -3.190 3.890 8.869 1.00 0.00 C ATOM 719 OE1 GLU A 57 -1.994 4.041 8.941 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.705 3.061 8.158 1.00 0.00 O ATOM 0 H GLU A 57 -4.121 7.704 9.772 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.887 6.050 12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.506 6.091 10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.691 4.920 11.425 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.669 3.979 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.764 5.283 9.236 1.00 0.00 H new ATOM 727 N GLY A 58 -3.010 8.517 12.520 1.00 0.00 N ATOM 728 CA GLY A 58 -2.287 9.263 13.544 1.00 0.00 C ATOM 729 C GLY A 58 -0.786 9.030 13.438 1.00 0.00 C ATOM 730 O GLY A 58 -0.069 9.078 14.437 1.00 0.00 O ATOM 0 H GLY A 58 -3.352 9.087 11.746 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.501 10.327 13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.636 8.961 14.532 1.00 0.00 H new ATOM 734 N LYS A 59 -0.315 8.778 12.220 1.00 0.00 N ATOM 735 CA LYS A 59 1.100 8.517 11.985 1.00 0.00 C ATOM 736 C LYS A 59 1.808 9.757 11.455 1.00 0.00 C ATOM 737 O LYS A 59 2.965 10.011 11.785 1.00 0.00 O ATOM 738 CB LYS A 59 1.275 7.354 11.007 1.00 0.00 C ATOM 739 CG LYS A 59 0.831 6.003 11.552 1.00 0.00 C ATOM 740 CD LYS A 59 0.903 4.923 10.481 1.00 0.00 C ATOM 741 CE LYS A 59 0.513 3.563 11.038 1.00 0.00 C ATOM 742 NZ LYS A 59 0.233 2.578 9.958 1.00 0.00 N ATOM 0 H LYS A 59 -0.894 8.749 11.381 1.00 0.00 H new ATOM 0 HA LYS A 59 1.552 8.248 12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.711 7.570 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.325 7.290 10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.462 5.724 12.396 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.189 6.078 11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.241 5.183 9.655 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.914 4.876 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.316 3.187 11.672 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.369 3.669 11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.037 1.647 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.593 2.890 9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.059 2.507 9.330 1.00 0.00 H new ATOM 756 N ILE A 60 1.104 10.527 10.632 1.00 0.00 N ATOM 757 CA ILE A 60 1.615 11.806 10.155 1.00 0.00 C ATOM 758 C ILE A 60 0.636 12.936 10.449 1.00 0.00 C ATOM 759 O ILE A 60 -0.554 12.699 10.658 1.00 0.00 O ATOM 760 CB ILE A 60 1.905 11.770 8.643 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.600 11.657 7.852 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.838 10.616 8.308 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.783 11.755 6.355 1.00 0.00 C ATOM 0 H ILE A 60 0.177 10.287 10.281 1.00 0.00 H new ATOM 0 HA ILE A 60 2.547 11.990 10.690 1.00 0.00 H new ATOM 0 HB ILE A 60 2.397 12.701 8.361 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.124 10.706 8.089 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.081 12.444 8.178 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.033 10.605 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.778 10.740 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.373 9.675 8.602 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.186 11.666 5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.230 12.717 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.437 10.952 6.015 1.00 0.00 H new ATOM 775 N LYS A 61 1.144 14.164 10.462 1.00 0.00 N ATOM 776 CA LYS A 61 0.303 15.339 10.653 1.00 0.00 C ATOM 777 C LYS A 61 0.205 16.161 9.375 1.00 0.00 C ATOM 778 O LYS A 61 1.030 16.022 8.472 1.00 0.00 O ATOM 779 CB LYS A 61 0.841 16.203 11.795 1.00 0.00 C ATOM 780 CG LYS A 61 0.749 15.556 13.171 1.00 0.00 C ATOM 781 CD LYS A 61 1.269 16.488 14.256 1.00 0.00 C ATOM 782 CE LYS A 61 1.030 15.911 15.644 1.00 0.00 C ATOM 783 NZ LYS A 61 1.584 16.784 16.712 1.00 0.00 N ATOM 0 H LYS A 61 2.136 14.371 10.342 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.698 14.993 10.912 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.884 16.446 11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.292 17.144 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.287 15.291 13.382 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.323 14.629 13.179 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.335 16.660 14.110 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.776 17.457 14.173 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.040 15.779 15.802 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.486 14.923 15.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.400 16.355 17.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.610 16.890 16.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.130 17.719 16.666 1.00 0.00 H new ATOM 797 N GLU A 62 -0.808 17.018 9.305 1.00 0.00 N ATOM 798 CA GLU A 62 -1.077 17.789 8.098 1.00 0.00 C ATOM 799 C GLU A 62 -1.390 19.242 8.430 1.00 0.00 C ATOM 800 O GLU A 62 -1.960 19.539 9.481 1.00 0.00 O ATOM 801 CB GLU A 62 -2.233 17.168 7.312 1.00 0.00 C ATOM 802 CG GLU A 62 -3.571 17.189 8.038 1.00 0.00 C ATOM 803 CD GLU A 62 -4.676 16.668 7.163 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.624 15.519 6.794 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.630 17.381 6.957 1.00 0.00 O ATOM 0 H GLU A 62 -1.457 17.196 10.072 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.178 17.767 7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.339 17.698 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.980 16.135 7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.506 16.585 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.801 18.207 8.351 1.00 0.00 H new ATOM 915 N LYS A 69 -2.134 20.827 0.787 1.00 0.00 N ATOM 916 CA LYS A 69 -1.763 20.484 2.154 1.00 0.00 C ATOM 917 C LYS A 69 -0.301 20.065 2.240 1.00 0.00 C ATOM 918 O LYS A 69 0.250 19.503 1.293 1.00 0.00 O ATOM 919 CB LYS A 69 -2.661 19.369 2.691 1.00 0.00 C ATOM 920 CG LYS A 69 -4.103 19.790 2.943 1.00 0.00 C ATOM 921 CD LYS A 69 -4.905 18.663 3.578 1.00 0.00 C ATOM 922 CE LYS A 69 -6.327 19.105 3.894 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.114 18.023 4.545 1.00 0.00 N ATOM 0 HA LYS A 69 -1.900 21.374 2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.655 18.541 1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.237 18.994 3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.120 20.664 3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.568 20.085 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.930 17.807 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.412 18.334 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.299 19.977 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.824 19.412 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.076 18.365 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.163 17.200 3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.654 17.747 5.436 1.00 0.00 H new ATOM 937 N ILE A 70 0.324 20.342 3.379 1.00 0.00 N ATOM 938 CA ILE A 70 1.669 19.850 3.656 1.00 0.00 C ATOM 939 C ILE A 70 1.654 18.799 4.757 1.00 0.00 C ATOM 940 O ILE A 70 1.016 18.980 5.794 1.00 0.00 O ATOM 941 CB ILE A 70 2.616 20.994 4.062 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.774 21.991 2.910 1.00 0.00 C ATOM 943 CG2 ILE A 70 3.969 20.441 4.481 1.00 0.00 C ATOM 944 CD1 ILE A 70 3.525 23.247 3.289 1.00 0.00 C ATOM 0 H ILE A 70 -0.080 20.906 4.127 1.00 0.00 H new ATOM 0 HA ILE A 70 2.036 19.399 2.734 1.00 0.00 H new ATOM 0 HB ILE A 70 2.181 21.518 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.295 21.502 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.786 22.267 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.626 21.263 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.841 19.770 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.412 19.893 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.597 23.904 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.994 23.761 4.090 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.527 22.984 3.628 1.00 0.00 H new ATOM 956 N TYR A 71 2.363 17.699 4.527 1.00 0.00 N ATOM 957 CA TYR A 71 2.351 16.573 5.453 1.00 0.00 C ATOM 958 C TYR A 71 3.739 16.320 6.030 1.00 0.00 C ATOM 959 O TYR A 71 4.749 16.570 5.373 1.00 0.00 O ATOM 960 CB TYR A 71 1.835 15.312 4.757 1.00 0.00 C ATOM 961 CG TYR A 71 0.399 15.415 4.289 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.085 16.025 3.084 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.635 14.898 5.054 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.224 16.122 2.653 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.947 14.988 4.633 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.238 15.601 3.431 1.00 0.00 C ATOM 967 OH TYR A 71 -3.544 15.693 3.006 1.00 0.00 O ATOM 0 H TYR A 71 2.954 17.563 3.706 1.00 0.00 H new ATOM 0 HA TYR A 71 1.680 16.824 6.274 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.472 15.096 3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.924 14.468 5.441 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.877 16.431 2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.411 14.417 5.995 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.452 16.603 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.741 14.581 5.241 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.030 14.882 3.265 1.00 0.00 H new ATOM 977 N PHE A 72 3.780 15.822 7.261 1.00 0.00 N ATOM 978 CA PHE A 72 5.038 15.427 7.886 1.00 0.00 C ATOM 979 C PHE A 72 4.811 14.367 8.956 1.00 0.00 C ATOM 980 O PHE A 72 3.758 14.329 9.594 1.00 0.00 O ATOM 981 CB PHE A 72 5.740 16.643 8.490 1.00 0.00 C ATOM 982 CG PHE A 72 4.956 17.317 9.580 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.017 18.293 9.279 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.155 16.975 10.909 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.296 18.912 10.280 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.433 17.594 11.913 1.00 0.00 C ATOM 987 CZ PHE A 72 3.504 18.562 11.599 1.00 0.00 C ATOM 0 H PHE A 72 2.956 15.682 7.846 1.00 0.00 H new ATOM 0 HA PHE A 72 5.676 14.999 7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.706 16.332 8.889 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.940 17.366 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.848 18.572 8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.882 16.217 11.163 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.569 19.671 10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.597 17.318 12.944 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.940 19.046 12.383 1.00 0.00 H new ATOM 997 N ALA A 73 5.806 13.507 9.150 1.00 0.00 N ATOM 998 CA ALA A 73 5.685 12.394 10.084 1.00 0.00 C ATOM 999 C ALA A 73 5.771 12.875 11.527 1.00 0.00 C ATOM 1000 O ALA A 73 6.503 13.815 11.836 1.00 0.00 O ATOM 1001 CB ALA A 73 6.756 11.349 9.805 1.00 0.00 C ATOM 0 H ALA A 73 6.706 13.560 8.672 1.00 0.00 H new ATOM 0 HA ALA A 73 4.705 11.938 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.652 10.525 10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.642 10.973 8.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.742 11.800 9.916 1.00 0.00 H new