USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 634 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 5 SER OG : rot 170:sc= -0.412 USER MOD Set 1.2: A 52 TYR OH : rot 49:sc= 0.959 USER MOD Set 2.1: A 28 LYS NZ :NH3+ 168:sc= 1 (180deg=0) USER MOD Set 2.2: A 54 ASN : amide:sc= 0.382 K(o=1.4,f=-11!) USER MOD Single : A 1 ARG N :NH3+ 154:sc= -0.0163 (180deg=-0.458) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.18 K(o=-0.18,f=-2) USER MOD Single : A 8 MET CE :methyl -135:sc= -6.75! (180deg=-11.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 147:sc= -0.0153 (180deg=-1.96) USER MOD Single : A 16 TYR OH : rot 120:sc= 0 USER MOD Single : A 19 SER OG : rot -130:sc= -1.52 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.974 K(o=-0.97,f=-0.16) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 55 SER OG : rot 72:sc= 1.1 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= -12.4! C(o=-12!,f=-12!) USER MOD Single : A 68 THR OG1 : rot -149:sc= -1.25! USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.063 -0.160 -2.146 1.00 0.00 N ATOM 2 CA ARG A 1 12.061 0.852 -1.859 1.00 0.00 C ATOM 3 C ARG A 1 12.734 2.179 -1.501 1.00 0.00 C ATOM 4 O ARG A 1 12.977 2.460 -0.329 1.00 0.00 O ATOM 5 CB ARG A 1 11.157 0.420 -0.702 1.00 0.00 C ATOM 6 CG ARG A 1 11.982 0.048 0.530 1.00 0.00 C ATOM 7 CD ARG A 1 11.388 0.668 1.797 1.00 0.00 C ATOM 8 NE ARG A 1 11.452 -0.300 2.913 1.00 0.00 N ATOM 9 CZ ARG A 1 11.021 -0.044 4.156 1.00 0.00 C ATOM 10 NH1 ARG A 1 10.490 1.152 4.447 1.00 0.00 N ATOM 11 NH2 ARG A 1 11.119 -0.983 5.106 1.00 0.00 N ATOM 0 H1 ARG A 1 12.668 -1.103 -1.956 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.343 -0.097 -3.146 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.896 -0.005 -1.543 1.00 0.00 H new ATOM 0 HA ARG A 1 11.452 0.978 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.469 1.228 -0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.551 -0.432 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.018 -1.036 0.634 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.009 0.390 0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.935 1.574 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.353 0.961 1.618 1.00 0.00 H new ATOM 0 HE ARG A 1 11.849 -1.221 2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 1 10.414 1.866 3.723 1.00 0.00 H new ATOM 0 HH12 ARG A 1 10.162 1.348 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 1 11.522 -1.893 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 1 10.791 -0.788 6.052 1.00 0.00 H new ATOM 25 N SER A 2 13.017 2.959 -2.534 1.00 0.00 N ATOM 26 CA SER A 2 13.657 4.250 -2.343 1.00 0.00 C ATOM 27 C SER A 2 12.737 5.369 -2.836 1.00 0.00 C ATOM 28 O SER A 2 13.205 6.442 -3.209 1.00 0.00 O ATOM 29 CB SER A 2 15.002 4.310 -3.071 1.00 0.00 C ATOM 30 OG SER A 2 16.101 4.276 -2.166 1.00 0.00 O ATOM 0 H SER A 2 12.815 2.722 -3.505 1.00 0.00 H new ATOM 0 HA SER A 2 13.844 4.385 -1.278 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.077 3.472 -3.764 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.051 5.221 -3.667 1.00 0.00 H new ATOM 0 HG SER A 2 16.941 4.314 -2.670 1.00 0.00 H new ATOM 36 N ALA A 3 11.445 5.078 -2.820 1.00 0.00 N ATOM 37 CA ALA A 3 10.454 6.046 -3.259 1.00 0.00 C ATOM 38 C ALA A 3 9.138 5.324 -3.552 1.00 0.00 C ATOM 39 O ALA A 3 8.081 5.733 -3.073 1.00 0.00 O ATOM 40 CB ALA A 3 10.987 6.805 -4.476 1.00 0.00 C ATOM 0 H ALA A 3 11.061 4.185 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 3 10.260 6.780 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.244 7.531 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.907 7.324 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.190 6.101 -5.283 1.00 0.00 H new ATOM 46 N LEU A 4 9.243 4.263 -4.339 1.00 0.00 N ATOM 47 CA LEU A 4 8.073 3.481 -4.702 1.00 0.00 C ATOM 48 C LEU A 4 7.205 3.265 -3.462 1.00 0.00 C ATOM 49 O LEU A 4 6.027 3.618 -3.455 1.00 0.00 O ATOM 50 CB LEU A 4 8.491 2.183 -5.395 1.00 0.00 C ATOM 51 CG LEU A 4 8.962 2.317 -6.844 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.957 3.116 -7.675 1.00 0.00 C ATOM 53 CD2 LEU A 4 10.368 2.918 -6.911 1.00 0.00 C ATOM 0 H LEU A 4 10.120 3.927 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 4 7.464 4.020 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.292 1.726 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.647 1.494 -5.371 1.00 0.00 H new ATOM 0 HG LEU A 4 9.018 1.319 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.316 3.197 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.993 2.608 -7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.845 4.114 -7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 4 10.678 3.002 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.363 3.907 -6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 4 11.065 2.273 -6.376 1.00 0.00 H new ATOM 65 N SER A 5 7.820 2.686 -2.441 1.00 0.00 N ATOM 66 CA SER A 5 7.118 2.418 -1.198 1.00 0.00 C ATOM 67 C SER A 5 6.160 3.569 -0.880 1.00 0.00 C ATOM 68 O SER A 5 5.057 3.343 -0.383 1.00 0.00 O ATOM 69 CB SER A 5 8.101 2.213 -0.043 1.00 0.00 C ATOM 70 OG SER A 5 7.502 2.478 1.222 1.00 0.00 O ATOM 0 H SER A 5 8.798 2.395 -2.450 1.00 0.00 H new ATOM 0 HA SER A 5 6.545 1.499 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.472 1.188 -0.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.963 2.867 -0.180 1.00 0.00 H new ATOM 0 HG SER A 5 8.104 2.184 1.937 1.00 0.00 H new ATOM 76 N CYS A 6 6.615 4.776 -1.180 1.00 0.00 N ATOM 77 CA CYS A 6 5.811 5.961 -0.933 1.00 0.00 C ATOM 78 C CYS A 6 4.461 5.780 -1.627 1.00 0.00 C ATOM 79 O CYS A 6 3.443 5.574 -0.968 1.00 0.00 O ATOM 80 CB CYS A 6 6.525 7.234 -1.395 1.00 0.00 C ATOM 81 SG CYS A 6 8.226 7.437 -0.752 1.00 0.00 S ATOM 0 H CYS A 6 7.530 4.959 -1.592 1.00 0.00 H new ATOM 0 HA CYS A 6 5.653 6.080 0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.561 7.239 -2.484 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.932 8.097 -1.092 1.00 0.00 H new ATOM 86 N GLN A 7 4.495 5.862 -2.949 1.00 0.00 N ATOM 87 CA GLN A 7 3.286 5.709 -3.740 1.00 0.00 C ATOM 88 C GLN A 7 2.480 4.505 -3.249 1.00 0.00 C ATOM 89 O GLN A 7 1.283 4.619 -2.987 1.00 0.00 O ATOM 90 CB GLN A 7 3.617 5.579 -5.228 1.00 0.00 C ATOM 91 CG GLN A 7 2.423 5.988 -6.093 1.00 0.00 C ATOM 92 CD GLN A 7 2.248 7.508 -6.105 1.00 0.00 C ATOM 93 OE1 GLN A 7 2.964 8.245 -5.446 1.00 0.00 O ATOM 94 NE2 GLN A 7 1.259 7.932 -6.885 1.00 0.00 N ATOM 0 H GLN A 7 5.341 6.032 -3.492 1.00 0.00 H new ATOM 0 HA GLN A 7 2.677 6.604 -3.615 1.00 0.00 H new ATOM 0 HB2 GLN A 7 4.476 6.205 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.898 4.550 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 7 2.567 5.627 -7.111 1.00 0.00 H new ATOM 0 HG3 GLN A 7 1.516 5.517 -5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 7 0.699 7.260 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.060 8.930 -6.959 1.00 0.00 H new ATOM 103 N MET A 8 3.167 3.378 -3.141 1.00 0.00 N ATOM 104 CA MET A 8 2.530 2.154 -2.687 1.00 0.00 C ATOM 105 C MET A 8 1.666 2.411 -1.452 1.00 0.00 C ATOM 106 O MET A 8 0.527 1.952 -1.380 1.00 0.00 O ATOM 107 CB MET A 8 3.602 1.113 -2.353 1.00 0.00 C ATOM 108 CG MET A 8 4.472 0.812 -3.575 1.00 0.00 C ATOM 109 SD MET A 8 5.539 -0.578 -3.236 1.00 0.00 S ATOM 110 CE MET A 8 5.897 -1.108 -4.902 1.00 0.00 C ATOM 0 H MET A 8 4.159 3.287 -3.360 1.00 0.00 H new ATOM 0 HA MET A 8 1.888 1.783 -3.486 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.227 1.478 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.127 0.196 -2.005 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.841 0.595 -4.437 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.070 1.687 -3.830 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.807 -2.192 -4.966 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.191 -0.644 -5.591 1.00 0.00 H new ATOM 0 HE3 MET A 8 6.912 -0.812 -5.168 1.00 0.00 H new ATOM 120 N CYS A 9 2.239 3.144 -0.510 1.00 0.00 N ATOM 121 CA CYS A 9 1.536 3.468 0.720 1.00 0.00 C ATOM 122 C CYS A 9 0.242 4.199 0.354 1.00 0.00 C ATOM 123 O CYS A 9 -0.764 4.071 1.050 1.00 0.00 O ATOM 124 CB CYS A 9 2.407 4.292 1.670 1.00 0.00 C ATOM 125 SG CYS A 9 1.487 5.462 2.735 1.00 0.00 S ATOM 0 H CYS A 9 3.184 3.524 -0.573 1.00 0.00 H new ATOM 0 HA CYS A 9 1.296 2.550 1.257 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.971 3.610 2.306 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.133 4.853 1.081 1.00 0.00 H new ATOM 130 N GLU A 10 0.310 4.947 -0.737 1.00 0.00 N ATOM 131 CA GLU A 10 -0.843 5.697 -1.203 1.00 0.00 C ATOM 132 C GLU A 10 -1.771 4.793 -2.016 1.00 0.00 C ATOM 133 O GLU A 10 -2.838 5.223 -2.453 1.00 0.00 O ATOM 134 CB GLU A 10 -0.410 6.916 -2.020 1.00 0.00 C ATOM 135 CG GLU A 10 -0.119 8.111 -1.110 1.00 0.00 C ATOM 136 CD GLU A 10 0.868 9.075 -1.771 1.00 0.00 C ATOM 137 OE1 GLU A 10 0.820 9.173 -3.016 1.00 0.00 O ATOM 138 OE2 GLU A 10 1.649 9.693 -1.015 1.00 0.00 O ATOM 0 H GLU A 10 1.146 5.050 -1.312 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.392 6.060 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.479 6.672 -2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.193 7.178 -2.731 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.048 8.635 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.289 7.760 -0.162 1.00 0.00 H new ATOM 146 N LEU A 11 -1.332 3.556 -2.196 1.00 0.00 N ATOM 147 CA LEU A 11 -2.110 2.587 -2.949 1.00 0.00 C ATOM 148 C LEU A 11 -2.981 1.778 -1.985 1.00 0.00 C ATOM 149 O LEU A 11 -4.160 1.549 -2.252 1.00 0.00 O ATOM 150 CB LEU A 11 -1.194 1.725 -3.820 1.00 0.00 C ATOM 151 CG LEU A 11 -1.875 0.600 -4.601 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.922 1.159 -5.567 1.00 0.00 C ATOM 153 CD2 LEU A 11 -0.843 -0.275 -5.317 1.00 0.00 C ATOM 0 H LEU A 11 -0.447 3.202 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.784 3.094 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.683 2.376 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.428 1.285 -3.182 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.400 -0.039 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.391 0.338 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.681 1.704 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.441 1.834 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.354 -1.067 -5.864 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.269 0.336 -6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.170 -0.718 -4.583 1.00 0.00 H new ATOM 165 N VAL A 12 -2.367 1.369 -0.885 1.00 0.00 N ATOM 166 CA VAL A 12 -3.072 0.590 0.120 1.00 0.00 C ATOM 167 C VAL A 12 -4.163 1.456 0.755 1.00 0.00 C ATOM 168 O VAL A 12 -5.249 0.966 1.059 1.00 0.00 O ATOM 169 CB VAL A 12 -2.079 0.034 1.143 1.00 0.00 C ATOM 170 CG1 VAL A 12 -1.013 -0.825 0.460 1.00 0.00 C ATOM 171 CG2 VAL A 12 -1.437 1.162 1.953 1.00 0.00 C ATOM 0 H VAL A 12 -1.389 1.562 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.562 -0.270 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.631 -0.603 1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.320 -1.208 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.492 -1.660 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.467 -0.220 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.736 0.740 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.906 1.836 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.212 1.716 2.484 1.00 0.00 H new ATOM 181 N VAL A 13 -3.835 2.727 0.937 1.00 0.00 N ATOM 182 CA VAL A 13 -4.774 3.663 1.530 1.00 0.00 C ATOM 183 C VAL A 13 -5.944 3.884 0.570 1.00 0.00 C ATOM 184 O VAL A 13 -7.095 3.628 0.919 1.00 0.00 O ATOM 185 CB VAL A 13 -4.053 4.960 1.903 1.00 0.00 C ATOM 186 CG1 VAL A 13 -2.934 4.696 2.912 1.00 0.00 C ATOM 187 CG2 VAL A 13 -3.512 5.665 0.657 1.00 0.00 C ATOM 0 H VAL A 13 -2.933 3.130 0.684 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.186 3.257 2.454 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.779 5.622 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.438 5.635 3.160 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.356 4.259 3.817 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.209 4.006 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.004 6.584 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.808 5.009 0.145 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.338 5.905 -0.013 1.00 0.00 H new ATOM 197 N LYS A 14 -5.608 4.357 -0.622 1.00 0.00 N ATOM 198 CA LYS A 14 -6.617 4.616 -1.635 1.00 0.00 C ATOM 199 C LYS A 14 -7.562 3.415 -1.726 1.00 0.00 C ATOM 200 O LYS A 14 -8.745 3.573 -2.021 1.00 0.00 O ATOM 201 CB LYS A 14 -5.958 4.980 -2.966 1.00 0.00 C ATOM 202 CG LYS A 14 -6.193 6.453 -3.310 1.00 0.00 C ATOM 203 CD LYS A 14 -4.905 7.112 -3.808 1.00 0.00 C ATOM 204 CE LYS A 14 -4.544 6.618 -5.210 1.00 0.00 C ATOM 205 NZ LYS A 14 -5.075 7.541 -6.238 1.00 0.00 N ATOM 0 H LYS A 14 -4.652 4.567 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.222 5.479 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.888 4.782 -2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.359 4.349 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.966 6.533 -4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.560 6.982 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.028 8.195 -3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.089 6.891 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.461 6.541 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.950 5.619 -5.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.821 7.191 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.110 7.594 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.667 8.488 -6.098 1.00 0.00 H new ATOM 219 N LYS A 15 -7.004 2.242 -1.466 1.00 0.00 N ATOM 220 CA LYS A 15 -7.781 1.016 -1.514 1.00 0.00 C ATOM 221 C LYS A 15 -8.549 0.852 -0.201 1.00 0.00 C ATOM 222 O LYS A 15 -9.708 0.438 -0.203 1.00 0.00 O ATOM 223 CB LYS A 15 -6.884 -0.175 -1.855 1.00 0.00 C ATOM 224 CG LYS A 15 -6.402 -0.102 -3.306 1.00 0.00 C ATOM 225 CD LYS A 15 -7.581 0.057 -4.268 1.00 0.00 C ATOM 226 CE LYS A 15 -7.180 -0.323 -5.694 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.157 -1.274 -6.272 1.00 0.00 N ATOM 0 H LYS A 15 -6.022 2.115 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.521 1.066 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.026 -0.192 -1.183 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.431 -1.104 -1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.716 0.737 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.845 -1.006 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.410 -0.571 -3.940 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.935 1.088 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.125 0.572 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.186 -0.770 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.239 -1.108 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.834 -2.248 -6.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.085 -1.134 -5.823 1.00 0.00 H new ATOM 241 N TYR A 16 -7.872 1.183 0.888 1.00 0.00 N ATOM 242 CA TYR A 16 -8.475 1.078 2.205 1.00 0.00 C ATOM 243 C TYR A 16 -9.476 2.210 2.443 1.00 0.00 C ATOM 244 O TYR A 16 -10.681 1.973 2.518 1.00 0.00 O ATOM 245 CB TYR A 16 -7.326 1.210 3.208 1.00 0.00 C ATOM 246 CG TYR A 16 -7.757 1.071 4.670 1.00 0.00 C ATOM 247 CD1 TYR A 16 -9.070 0.778 4.977 1.00 0.00 C ATOM 248 CD2 TYR A 16 -6.832 1.241 5.680 1.00 0.00 C ATOM 249 CE1 TYR A 16 -9.475 0.648 6.353 1.00 0.00 C ATOM 250 CE2 TYR A 16 -7.237 1.111 7.056 1.00 0.00 C ATOM 251 CZ TYR A 16 -8.538 0.820 7.324 1.00 0.00 C ATOM 252 OH TYR A 16 -8.921 0.697 8.623 1.00 0.00 O ATOM 0 H TYR A 16 -6.911 1.524 0.885 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.012 0.135 2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.576 0.451 2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.848 2.180 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.793 0.646 4.186 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.805 1.471 5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.499 0.419 6.608 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.524 1.242 7.856 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.413 -0.026 9.047 1.00 0.00 H new ATOM 262 N GLU A 17 -8.940 3.416 2.555 1.00 0.00 N ATOM 263 CA GLU A 17 -9.772 4.587 2.781 1.00 0.00 C ATOM 264 C GLU A 17 -11.006 4.544 1.879 1.00 0.00 C ATOM 265 O GLU A 17 -12.113 4.846 2.321 1.00 0.00 O ATOM 266 CB GLU A 17 -8.975 5.875 2.562 1.00 0.00 C ATOM 267 CG GLU A 17 -7.944 6.079 3.674 1.00 0.00 C ATOM 268 CD GLU A 17 -8.626 6.216 5.037 1.00 0.00 C ATOM 269 OE1 GLU A 17 -9.264 7.270 5.247 1.00 0.00 O ATOM 270 OE2 GLU A 17 -8.494 5.265 5.835 1.00 0.00 O ATOM 0 H GLU A 17 -7.940 3.608 2.494 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.106 4.577 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.470 5.835 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.655 6.726 2.531 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.253 5.237 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.353 6.972 3.468 1.00 0.00 H new ATOM 278 N GLY A 18 -10.773 4.167 0.630 1.00 0.00 N ATOM 279 CA GLY A 18 -11.853 4.081 -0.339 1.00 0.00 C ATOM 280 C GLY A 18 -12.065 2.637 -0.796 1.00 0.00 C ATOM 281 O GLY A 18 -12.184 2.371 -1.992 1.00 0.00 O ATOM 0 H GLY A 18 -9.853 3.918 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.773 4.466 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.625 4.709 -1.200 1.00 0.00 H new ATOM 285 N SER A 19 -12.107 1.741 0.179 1.00 0.00 N ATOM 286 CA SER A 19 -12.303 0.330 -0.109 1.00 0.00 C ATOM 287 C SER A 19 -13.789 0.042 -0.329 1.00 0.00 C ATOM 288 O SER A 19 -14.164 -0.588 -1.318 1.00 0.00 O ATOM 289 CB SER A 19 -11.755 -0.544 1.021 1.00 0.00 C ATOM 290 OG SER A 19 -11.245 -1.784 0.538 1.00 0.00 O ATOM 0 H SER A 19 -12.009 1.965 1.169 1.00 0.00 H new ATOM 0 HA SER A 19 -11.754 0.087 -1.019 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.964 -0.006 1.544 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.545 -0.735 1.747 1.00 0.00 H new ATOM 0 HG SER A 19 -11.621 -2.520 1.065 1.00 0.00 H new ATOM 296 N ALA A 20 -14.596 0.518 0.608 1.00 0.00 N ATOM 297 CA ALA A 20 -16.034 0.320 0.529 1.00 0.00 C ATOM 298 C ALA A 20 -16.389 -1.044 1.123 1.00 0.00 C ATOM 299 O ALA A 20 -16.970 -1.889 0.443 1.00 0.00 O ATOM 300 CB ALA A 20 -16.489 0.459 -0.926 1.00 0.00 C ATOM 0 H ALA A 20 -14.282 1.040 1.426 1.00 0.00 H new ATOM 0 HA ALA A 20 -16.559 1.079 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -17.567 0.311 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -16.239 1.455 -1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -15.985 -0.289 -1.538 1.00 0.00 H new ATOM 306 N ASP A 21 -16.026 -1.218 2.385 1.00 0.00 N ATOM 307 CA ASP A 21 -16.299 -2.465 3.078 1.00 0.00 C ATOM 308 C ASP A 21 -15.421 -2.552 4.328 1.00 0.00 C ATOM 309 O ASP A 21 -15.791 -3.199 5.307 1.00 0.00 O ATOM 310 CB ASP A 21 -15.980 -3.670 2.191 1.00 0.00 C ATOM 311 CG ASP A 21 -17.178 -4.557 1.848 1.00 0.00 C ATOM 312 OD1 ASP A 21 -18.178 -4.474 2.595 1.00 0.00 O ATOM 313 OD2 ASP A 21 -17.069 -5.298 0.848 1.00 0.00 O ATOM 0 H ASP A 21 -15.545 -0.515 2.946 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.357 -2.480 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.536 -3.311 1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.227 -4.280 2.690 1.00 0.00 H new ATOM 319 N LYS A 22 -14.275 -1.892 4.254 1.00 0.00 N ATOM 320 CA LYS A 22 -13.342 -1.887 5.367 1.00 0.00 C ATOM 321 C LYS A 22 -12.800 -3.302 5.581 1.00 0.00 C ATOM 322 O LYS A 22 -13.019 -3.902 6.632 1.00 0.00 O ATOM 323 CB LYS A 22 -13.995 -1.284 6.612 1.00 0.00 C ATOM 324 CG LYS A 22 -13.583 0.178 6.794 1.00 0.00 C ATOM 325 CD LYS A 22 -14.215 1.064 5.718 1.00 0.00 C ATOM 326 CE LYS A 22 -15.475 1.754 6.244 1.00 0.00 C ATOM 327 NZ LYS A 22 -15.385 3.218 6.046 1.00 0.00 N ATOM 0 H LYS A 22 -13.971 -1.357 3.440 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.487 -1.249 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.080 -1.352 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.707 -1.859 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.888 0.525 7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.497 0.262 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.495 1.814 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.464 0.460 4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.352 1.365 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.603 1.532 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.248 3.671 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.559 3.587 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.285 3.426 5.032 1.00 0.00 H new ATOM 341 N ASP A 23 -12.105 -3.795 4.566 1.00 0.00 N ATOM 342 CA ASP A 23 -11.532 -5.129 4.629 1.00 0.00 C ATOM 343 C ASP A 23 -10.094 -5.086 4.109 1.00 0.00 C ATOM 344 O ASP A 23 -9.868 -5.031 2.901 1.00 0.00 O ATOM 345 CB ASP A 23 -12.321 -6.109 3.759 1.00 0.00 C ATOM 346 CG ASP A 23 -13.298 -7.008 4.521 1.00 0.00 C ATOM 347 OD1 ASP A 23 -12.856 -7.601 5.528 1.00 0.00 O ATOM 348 OD2 ASP A 23 -14.464 -7.080 4.077 1.00 0.00 O ATOM 0 H ASP A 23 -11.926 -3.295 3.695 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.565 -5.462 5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.878 -5.542 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.616 -6.740 3.218 1.00 0.00 H new ATOM 354 N ALA A 24 -9.158 -5.112 5.047 1.00 0.00 N ATOM 355 CA ALA A 24 -7.748 -5.077 4.698 1.00 0.00 C ATOM 356 C ALA A 24 -7.455 -6.169 3.667 1.00 0.00 C ATOM 357 O ALA A 24 -6.432 -6.124 2.984 1.00 0.00 O ATOM 358 CB ALA A 24 -6.905 -5.230 5.965 1.00 0.00 C ATOM 0 H ALA A 24 -9.349 -5.157 6.048 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.488 -4.120 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.847 -5.204 5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.129 -4.414 6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.137 -6.181 6.444 1.00 0.00 H new ATOM 364 N ASN A 25 -8.371 -7.124 3.587 1.00 0.00 N ATOM 365 CA ASN A 25 -8.223 -8.225 2.651 1.00 0.00 C ATOM 366 C ASN A 25 -8.469 -7.717 1.229 1.00 0.00 C ATOM 367 O ASN A 25 -7.629 -7.892 0.348 1.00 0.00 O ATOM 368 CB ASN A 25 -9.237 -9.334 2.939 1.00 0.00 C ATOM 369 CG ASN A 25 -8.880 -10.082 4.226 1.00 0.00 C ATOM 370 OD1 ASN A 25 -7.752 -10.492 4.443 1.00 0.00 O ATOM 371 ND2 ASN A 25 -9.902 -10.235 5.064 1.00 0.00 N ATOM 0 H ASN A 25 -9.218 -7.158 4.155 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.214 -8.623 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.235 -8.905 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.264 -10.033 2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.766 -10.721 5.951 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.821 -9.867 4.820 1.00 0.00 H new ATOM 378 N VAL A 26 -9.628 -7.098 1.049 1.00 0.00 N ATOM 379 CA VAL A 26 -9.996 -6.564 -0.250 1.00 0.00 C ATOM 380 C VAL A 26 -9.156 -5.318 -0.542 1.00 0.00 C ATOM 381 O VAL A 26 -9.209 -4.773 -1.644 1.00 0.00 O ATOM 382 CB VAL A 26 -11.502 -6.294 -0.299 1.00 0.00 C ATOM 383 CG1 VAL A 26 -12.014 -6.305 -1.740 1.00 0.00 C ATOM 384 CG2 VAL A 26 -12.266 -7.302 0.563 1.00 0.00 C ATOM 0 H VAL A 26 -10.323 -6.955 1.782 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.784 -7.291 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.679 -5.300 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.087 -6.111 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.502 -5.533 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.819 -7.279 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.334 -7.089 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.079 -8.311 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.930 -7.225 1.597 1.00 0.00 H new ATOM 394 N ILE A 27 -8.401 -4.904 0.465 1.00 0.00 N ATOM 395 CA ILE A 27 -7.552 -3.733 0.331 1.00 0.00 C ATOM 396 C ILE A 27 -6.170 -4.164 -0.164 1.00 0.00 C ATOM 397 O ILE A 27 -5.823 -3.939 -1.322 1.00 0.00 O ATOM 398 CB ILE A 27 -7.517 -2.943 1.642 1.00 0.00 C ATOM 399 CG1 ILE A 27 -8.904 -2.397 1.989 1.00 0.00 C ATOM 400 CG2 ILE A 27 -6.463 -1.836 1.587 1.00 0.00 C ATOM 401 CD1 ILE A 27 -8.948 -1.890 3.432 1.00 0.00 C ATOM 0 H ILE A 27 -8.360 -5.359 1.377 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.960 -3.051 -0.415 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.228 -3.623 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.161 -1.586 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.651 -3.178 1.851 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.459 -1.290 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.481 -2.277 1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.697 -1.151 0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.944 -1.507 3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.714 -2.709 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.216 -1.092 3.560 1.00 0.00 H new ATOM 413 N LYS A 28 -5.418 -4.777 0.740 1.00 0.00 N ATOM 414 CA LYS A 28 -4.082 -5.243 0.409 1.00 0.00 C ATOM 415 C LYS A 28 -4.100 -5.889 -0.978 1.00 0.00 C ATOM 416 O LYS A 28 -3.169 -5.710 -1.761 1.00 0.00 O ATOM 417 CB LYS A 28 -3.547 -6.161 1.510 1.00 0.00 C ATOM 418 CG LYS A 28 -4.236 -7.527 1.466 1.00 0.00 C ATOM 419 CD LYS A 28 -4.269 -8.168 2.855 1.00 0.00 C ATOM 420 CE LYS A 28 -2.863 -8.550 3.317 1.00 0.00 C ATOM 421 NZ LYS A 28 -2.912 -9.734 4.204 1.00 0.00 N ATOM 0 H LYS A 28 -5.709 -4.961 1.700 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.387 -4.405 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.471 -6.288 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.708 -5.699 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.253 -7.414 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.710 -8.182 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.714 -7.475 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.902 -9.055 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.235 -8.762 2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.407 -7.712 3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.950 -10.103 4.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.316 -9.463 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.504 -10.470 3.769 1.00 0.00 H new ATOM 435 N LYS A 29 -5.169 -6.626 -1.237 1.00 0.00 N ATOM 436 CA LYS A 29 -5.320 -7.301 -2.516 1.00 0.00 C ATOM 437 C LYS A 29 -5.569 -6.261 -3.610 1.00 0.00 C ATOM 438 O LYS A 29 -4.961 -6.321 -4.678 1.00 0.00 O ATOM 439 CB LYS A 29 -6.408 -8.374 -2.430 1.00 0.00 C ATOM 440 CG LYS A 29 -5.827 -9.705 -1.943 1.00 0.00 C ATOM 441 CD LYS A 29 -6.818 -10.436 -1.036 1.00 0.00 C ATOM 442 CE LYS A 29 -8.196 -10.530 -1.693 1.00 0.00 C ATOM 443 NZ LYS A 29 -8.198 -11.569 -2.746 1.00 0.00 N ATOM 0 H LYS A 29 -5.939 -6.771 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.403 -7.829 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.195 -8.046 -1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.868 -8.510 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.580 -10.333 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.898 -9.524 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.446 -11.437 -0.818 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.900 -9.912 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.949 -10.765 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.466 -9.566 -2.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.141 -11.620 -3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.493 -11.329 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.961 -12.490 -2.325 1.00 0.00 H new ATOM 457 N ASP A 30 -6.463 -5.331 -3.306 1.00 0.00 N ATOM 458 CA ASP A 30 -6.799 -4.280 -4.250 1.00 0.00 C ATOM 459 C ASP A 30 -5.515 -3.594 -4.723 1.00 0.00 C ATOM 460 O ASP A 30 -5.303 -3.426 -5.923 1.00 0.00 O ATOM 461 CB ASP A 30 -7.689 -3.219 -3.599 1.00 0.00 C ATOM 462 CG ASP A 30 -9.172 -3.308 -3.962 1.00 0.00 C ATOM 463 OD1 ASP A 30 -9.471 -3.986 -4.970 1.00 0.00 O ATOM 464 OD2 ASP A 30 -9.976 -2.697 -3.224 1.00 0.00 O ATOM 0 H ASP A 30 -6.965 -5.284 -2.419 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.331 -4.735 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.590 -3.298 -2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.320 -2.233 -3.882 1.00 0.00 H new ATOM 470 N PHE A 31 -4.693 -3.219 -3.755 1.00 0.00 N ATOM 471 CA PHE A 31 -3.435 -2.556 -4.056 1.00 0.00 C ATOM 472 C PHE A 31 -2.665 -3.309 -5.143 1.00 0.00 C ATOM 473 O PHE A 31 -2.223 -2.713 -6.123 1.00 0.00 O ATOM 474 CB PHE A 31 -2.609 -2.556 -2.769 1.00 0.00 C ATOM 475 CG PHE A 31 -1.128 -2.237 -2.980 1.00 0.00 C ATOM 476 CD1 PHE A 31 -0.308 -3.159 -3.550 1.00 0.00 C ATOM 477 CD2 PHE A 31 -0.631 -1.030 -2.597 1.00 0.00 C ATOM 478 CE1 PHE A 31 1.067 -2.864 -3.746 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.744 -0.733 -2.792 1.00 0.00 C ATOM 480 CZ PHE A 31 1.564 -1.657 -3.363 1.00 0.00 C ATOM 0 H PHE A 31 -4.873 -3.361 -2.761 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.625 -1.545 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.032 -1.827 -2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.695 -3.533 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.703 -4.117 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.282 -0.297 -2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.718 -3.597 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.139 0.225 -2.487 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.610 -1.432 -3.512 1.00 0.00 H new ATOM 490 N ASP A 32 -2.528 -4.611 -4.931 1.00 0.00 N ATOM 491 CA ASP A 32 -1.819 -5.452 -5.880 1.00 0.00 C ATOM 492 C ASP A 32 -2.451 -5.297 -7.265 1.00 0.00 C ATOM 493 O ASP A 32 -1.792 -5.517 -8.280 1.00 0.00 O ATOM 494 CB ASP A 32 -1.909 -6.927 -5.482 1.00 0.00 C ATOM 495 CG ASP A 32 -0.763 -7.804 -5.990 1.00 0.00 C ATOM 496 OD1 ASP A 32 0.367 -7.605 -5.495 1.00 0.00 O ATOM 497 OD2 ASP A 32 -1.043 -8.654 -6.863 1.00 0.00 O ATOM 0 H ASP A 32 -2.896 -5.103 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.774 -5.143 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.943 -6.993 -4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.850 -7.332 -5.855 1.00 0.00 H new ATOM 503 N ALA A 33 -3.721 -4.920 -7.262 1.00 0.00 N ATOM 504 CA ALA A 33 -4.449 -4.733 -8.505 1.00 0.00 C ATOM 505 C ALA A 33 -3.887 -3.515 -9.242 1.00 0.00 C ATOM 506 O ALA A 33 -3.169 -3.660 -10.230 1.00 0.00 O ATOM 507 CB ALA A 33 -5.943 -4.595 -8.205 1.00 0.00 C ATOM 0 H ALA A 33 -4.265 -4.739 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.326 -5.598 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.490 -4.455 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.299 -5.497 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.106 -3.735 -7.556 1.00 0.00 H new ATOM 513 N GLU A 34 -4.234 -2.342 -8.732 1.00 0.00 N ATOM 514 CA GLU A 34 -3.774 -1.101 -9.329 1.00 0.00 C ATOM 515 C GLU A 34 -2.259 -1.144 -9.540 1.00 0.00 C ATOM 516 O GLU A 34 -1.736 -0.493 -10.443 1.00 0.00 O ATOM 517 CB GLU A 34 -4.174 0.102 -8.473 1.00 0.00 C ATOM 518 CG GLU A 34 -3.615 1.401 -9.055 1.00 0.00 C ATOM 519 CD GLU A 34 -4.196 1.674 -10.444 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.310 2.240 -10.491 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.514 1.312 -11.427 1.00 0.00 O ATOM 0 H GLU A 34 -4.829 -2.226 -7.912 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.254 -0.989 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.261 0.165 -8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.806 -0.033 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.849 2.232 -8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.529 1.338 -9.117 1.00 0.00 H new ATOM 529 N CYS A 35 -1.597 -1.916 -8.693 1.00 0.00 N ATOM 530 CA CYS A 35 -0.152 -2.052 -8.775 1.00 0.00 C ATOM 531 C CYS A 35 0.179 -2.929 -9.984 1.00 0.00 C ATOM 532 O CYS A 35 1.161 -2.684 -10.682 1.00 0.00 O ATOM 533 CB CYS A 35 0.438 -2.617 -7.480 1.00 0.00 C ATOM 534 SG CYS A 35 2.191 -2.188 -7.185 1.00 0.00 S ATOM 0 H CYS A 35 -2.034 -2.455 -7.945 1.00 0.00 H new ATOM 0 HA CYS A 35 0.302 -1.070 -8.905 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.156 -2.258 -6.640 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.342 -3.703 -7.497 1.00 0.00 H new ATOM 539 N LYS A 36 -0.659 -3.933 -10.193 1.00 0.00 N ATOM 540 CA LYS A 36 -0.467 -4.848 -11.306 1.00 0.00 C ATOM 541 C LYS A 36 -0.907 -4.166 -12.604 1.00 0.00 C ATOM 542 O LYS A 36 -0.818 -4.754 -13.680 1.00 0.00 O ATOM 543 CB LYS A 36 -1.180 -6.176 -11.038 1.00 0.00 C ATOM 544 CG LYS A 36 -0.266 -7.146 -10.287 1.00 0.00 C ATOM 545 CD LYS A 36 -0.091 -8.450 -11.068 1.00 0.00 C ATOM 546 CE LYS A 36 0.750 -8.227 -12.326 1.00 0.00 C ATOM 547 NZ LYS A 36 0.267 -9.082 -13.432 1.00 0.00 N ATOM 0 H LYS A 36 -1.472 -4.133 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 36 0.589 -5.096 -11.417 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.084 -5.997 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.493 -6.622 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.707 -6.682 -10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.686 -7.360 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.388 -9.196 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.068 -8.846 -11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.702 -7.179 -12.621 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.796 -8.451 -12.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.849 -8.917 -14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.336 -10.082 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.724 -8.849 -13.644 1.00 0.00 H new ATOM 561 N LYS A 37 -1.372 -2.934 -12.459 1.00 0.00 N ATOM 562 CA LYS A 37 -1.824 -2.164 -13.605 1.00 0.00 C ATOM 563 C LYS A 37 -0.921 -0.943 -13.784 1.00 0.00 C ATOM 564 O LYS A 37 -0.433 -0.682 -14.883 1.00 0.00 O ATOM 565 CB LYS A 37 -3.308 -1.818 -13.465 1.00 0.00 C ATOM 566 CG LYS A 37 -4.189 -2.945 -14.008 1.00 0.00 C ATOM 567 CD LYS A 37 -5.508 -2.396 -14.555 1.00 0.00 C ATOM 568 CE LYS A 37 -5.301 -1.725 -15.914 1.00 0.00 C ATOM 569 NZ LYS A 37 -5.835 -2.579 -16.998 1.00 0.00 N ATOM 0 H LYS A 37 -1.446 -2.450 -11.564 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.743 -2.755 -14.517 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.546 -1.639 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.522 -0.894 -14.002 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.658 -3.478 -14.797 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.392 -3.666 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.231 -3.206 -14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.927 -1.677 -13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.799 -0.755 -15.928 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.239 -1.540 -16.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.687 -2.110 -17.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.341 -3.494 -16.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.853 -2.734 -16.849 1.00 0.00 H new ATOM 583 N LEU A 38 -0.726 -0.225 -12.687 1.00 0.00 N ATOM 584 CA LEU A 38 0.110 0.963 -12.709 1.00 0.00 C ATOM 585 C LEU A 38 1.581 0.547 -12.640 1.00 0.00 C ATOM 586 O LEU A 38 2.400 1.017 -13.428 1.00 0.00 O ATOM 587 CB LEU A 38 -0.309 1.932 -11.602 1.00 0.00 C ATOM 588 CG LEU A 38 0.760 2.258 -10.557 1.00 0.00 C ATOM 589 CD1 LEU A 38 1.846 3.163 -11.146 1.00 0.00 C ATOM 590 CD2 LEU A 38 0.132 2.861 -9.299 1.00 0.00 C ATOM 0 H LEU A 38 -1.133 -0.443 -11.777 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.024 1.507 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.632 2.864 -12.065 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.175 1.514 -11.089 1.00 0.00 H new ATOM 0 HG LEU A 38 1.243 1.327 -10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.593 3.379 -10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.322 2.660 -11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.397 4.095 -11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.914 3.083 -8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.393 3.780 -9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.573 2.150 -8.867 1.00 0.00 H new ATOM 602 N PHE A 39 1.871 -0.329 -11.690 1.00 0.00 N ATOM 603 CA PHE A 39 3.229 -0.813 -11.507 1.00 0.00 C ATOM 604 C PHE A 39 3.565 -1.901 -12.530 1.00 0.00 C ATOM 605 O PHE A 39 4.623 -2.524 -12.453 1.00 0.00 O ATOM 606 CB PHE A 39 3.306 -1.411 -10.102 1.00 0.00 C ATOM 607 CG PHE A 39 4.428 -0.829 -9.238 1.00 0.00 C ATOM 608 CD1 PHE A 39 4.651 0.513 -9.228 1.00 0.00 C ATOM 609 CD2 PHE A 39 5.201 -1.653 -8.482 1.00 0.00 C ATOM 610 CE1 PHE A 39 5.692 1.053 -8.427 1.00 0.00 C ATOM 611 CE2 PHE A 39 6.242 -1.113 -7.682 1.00 0.00 C ATOM 612 CZ PHE A 39 6.466 0.228 -7.672 1.00 0.00 C ATOM 0 H PHE A 39 1.189 -0.717 -11.038 1.00 0.00 H new ATOM 0 HA PHE A 39 3.937 0.005 -11.640 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.353 -1.251 -9.598 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.447 -2.489 -10.184 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.037 1.167 -9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.023 -2.718 -8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.869 2.118 -8.417 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.856 -1.767 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.259 0.638 -7.064 1.00 0.00 H new ATOM 622 N HIS A 40 2.645 -2.095 -13.464 1.00 0.00 N ATOM 623 CA HIS A 40 2.832 -3.096 -14.501 1.00 0.00 C ATOM 624 C HIS A 40 4.105 -2.787 -15.291 1.00 0.00 C ATOM 625 O HIS A 40 4.970 -3.647 -15.442 1.00 0.00 O ATOM 626 CB HIS A 40 1.591 -3.194 -15.390 1.00 0.00 C ATOM 627 CG HIS A 40 1.899 -3.424 -16.850 1.00 0.00 C ATOM 628 ND1 HIS A 40 1.841 -4.676 -17.439 1.00 0.00 N ATOM 629 CD2 HIS A 40 2.265 -2.553 -17.832 1.00 0.00 C ATOM 630 CE1 HIS A 40 2.162 -4.550 -18.719 1.00 0.00 C ATOM 631 NE2 HIS A 40 2.425 -3.234 -18.960 1.00 0.00 N ATOM 0 H HIS A 40 1.769 -1.576 -13.524 1.00 0.00 H new ATOM 0 HA HIS A 40 2.960 -4.078 -14.045 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.961 -4.007 -15.029 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.012 -2.275 -15.291 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.402 -1.488 -17.713 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.207 -5.349 -19.444 1.00 0.00 H new ATOM 0 HE2 HIS A 40 2.699 -2.838 -19.859 1.00 0.00 H new ATOM 640 N THR A 41 4.178 -1.555 -15.774 1.00 0.00 N ATOM 641 CA THR A 41 5.331 -1.122 -16.545 1.00 0.00 C ATOM 642 C THR A 41 6.619 -1.353 -15.753 1.00 0.00 C ATOM 643 O THR A 41 7.707 -1.389 -16.327 1.00 0.00 O ATOM 644 CB THR A 41 5.113 0.342 -16.937 1.00 0.00 C ATOM 645 OG1 THR A 41 6.327 0.710 -17.587 1.00 0.00 O ATOM 646 CG2 THR A 41 5.044 1.270 -15.723 1.00 0.00 C ATOM 0 H THR A 41 3.458 -0.844 -15.646 1.00 0.00 H new ATOM 0 HA THR A 41 5.439 -1.707 -17.459 1.00 0.00 H new ATOM 0 HB THR A 41 4.192 0.431 -17.513 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.273 1.645 -17.876 1.00 0.00 H new ATOM 0 HG21 THR A 41 4.888 2.296 -16.057 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.216 0.968 -15.081 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.978 1.208 -15.164 1.00 0.00 H new ATOM 654 N ILE A 42 6.455 -1.505 -14.448 1.00 0.00 N ATOM 655 CA ILE A 42 7.591 -1.732 -13.572 1.00 0.00 C ATOM 656 C ILE A 42 8.012 -3.200 -13.660 1.00 0.00 C ATOM 657 O ILE A 42 7.165 -4.088 -13.737 1.00 0.00 O ATOM 658 CB ILE A 42 7.273 -1.268 -12.149 1.00 0.00 C ATOM 659 CG1 ILE A 42 6.522 0.065 -12.163 1.00 0.00 C ATOM 660 CG2 ILE A 42 8.543 -1.202 -11.297 1.00 0.00 C ATOM 661 CD1 ILE A 42 7.378 1.171 -12.783 1.00 0.00 C ATOM 0 H ILE A 42 5.552 -1.475 -13.975 1.00 0.00 H new ATOM 0 HA ILE A 42 8.444 -1.135 -13.894 1.00 0.00 H new ATOM 0 HB ILE A 42 6.614 -2.004 -11.688 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.595 -0.042 -12.727 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.246 0.341 -11.145 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.289 -0.870 -10.290 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.000 -2.190 -11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.245 -0.499 -11.745 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.820 2.107 -12.780 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.293 1.292 -12.202 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.632 0.903 -13.809 1.00 0.00 H new ATOM 673 N PRO A 43 9.355 -3.416 -13.644 1.00 0.00 N ATOM 674 CA PRO A 43 9.897 -4.762 -13.721 1.00 0.00 C ATOM 675 C PRO A 43 9.728 -5.498 -12.390 1.00 0.00 C ATOM 676 O PRO A 43 8.984 -6.473 -12.306 1.00 0.00 O ATOM 677 CB PRO A 43 11.354 -4.576 -14.116 1.00 0.00 C ATOM 678 CG PRO A 43 11.692 -3.129 -13.794 1.00 0.00 C ATOM 679 CD PRO A 43 10.388 -2.389 -13.552 1.00 0.00 C ATOM 0 HA PRO A 43 9.376 -5.385 -14.448 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.999 -5.260 -13.564 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.501 -4.785 -15.176 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.332 -3.073 -12.913 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.242 -2.673 -14.617 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.382 -1.908 -12.574 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.234 -1.605 -14.294 1.00 0.00 H new ATOM 687 N PHE A 44 10.433 -5.003 -11.383 1.00 0.00 N ATOM 688 CA PHE A 44 10.371 -5.601 -10.061 1.00 0.00 C ATOM 689 C PHE A 44 9.194 -5.039 -9.259 1.00 0.00 C ATOM 690 O PHE A 44 9.041 -5.345 -8.077 1.00 0.00 O ATOM 691 CB PHE A 44 11.676 -5.245 -9.346 1.00 0.00 C ATOM 692 CG PHE A 44 12.846 -4.961 -10.291 1.00 0.00 C ATOM 693 CD1 PHE A 44 13.573 -5.992 -10.800 1.00 0.00 C ATOM 694 CD2 PHE A 44 13.158 -3.680 -10.621 1.00 0.00 C ATOM 695 CE1 PHE A 44 14.658 -5.730 -11.677 1.00 0.00 C ATOM 696 CE2 PHE A 44 14.243 -3.418 -11.499 1.00 0.00 C ATOM 697 CZ PHE A 44 14.971 -4.447 -12.008 1.00 0.00 C ATOM 0 H PHE A 44 11.050 -4.194 -11.457 1.00 0.00 H new ATOM 0 HA PHE A 44 10.236 -6.679 -10.147 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.508 -4.369 -8.719 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.950 -6.065 -8.682 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.325 -7.010 -10.537 1.00 0.00 H new ATOM 0 HD2 PHE A 44 12.581 -2.862 -10.216 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.235 -6.548 -12.082 1.00 0.00 H new ATOM 0 HE2 PHE A 44 14.490 -2.400 -11.763 1.00 0.00 H new ATOM 0 HZ PHE A 44 15.797 -4.247 -12.674 1.00 0.00 H new ATOM 707 N GLY A 45 8.394 -4.228 -9.934 1.00 0.00 N ATOM 708 CA GLY A 45 7.236 -3.621 -9.300 1.00 0.00 C ATOM 709 C GLY A 45 6.273 -4.689 -8.779 1.00 0.00 C ATOM 710 O GLY A 45 6.220 -4.951 -7.578 1.00 0.00 O ATOM 0 H GLY A 45 8.524 -3.977 -10.914 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.560 -2.985 -8.476 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.721 -2.979 -10.014 1.00 0.00 H new ATOM 714 N THR A 46 5.534 -5.278 -9.709 1.00 0.00 N ATOM 715 CA THR A 46 4.576 -6.313 -9.359 1.00 0.00 C ATOM 716 C THR A 46 5.141 -7.213 -8.258 1.00 0.00 C ATOM 717 O THR A 46 4.400 -7.693 -7.402 1.00 0.00 O ATOM 718 CB THR A 46 4.211 -7.071 -10.636 1.00 0.00 C ATOM 719 OG1 THR A 46 5.456 -7.576 -11.109 1.00 0.00 O ATOM 720 CG2 THR A 46 3.737 -6.139 -11.755 1.00 0.00 C ATOM 0 H THR A 46 5.580 -5.058 -10.704 1.00 0.00 H new ATOM 0 HA THR A 46 3.663 -5.883 -8.947 1.00 0.00 H new ATOM 0 HB THR A 46 3.431 -7.799 -10.415 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.311 -8.083 -11.935 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.491 -6.728 -12.639 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.853 -5.594 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.529 -5.432 -12.000 1.00 0.00 H new ATOM 728 N ARG A 47 6.449 -7.417 -8.318 1.00 0.00 N ATOM 729 CA ARG A 47 7.122 -8.251 -7.338 1.00 0.00 C ATOM 730 C ARG A 47 7.049 -7.607 -5.953 1.00 0.00 C ATOM 731 O ARG A 47 6.663 -8.256 -4.981 1.00 0.00 O ATOM 732 CB ARG A 47 8.589 -8.469 -7.714 1.00 0.00 C ATOM 733 CG ARG A 47 8.709 -9.163 -9.072 1.00 0.00 C ATOM 734 CD ARG A 47 8.250 -10.621 -8.985 1.00 0.00 C ATOM 735 NE ARG A 47 9.252 -11.424 -8.251 1.00 0.00 N ATOM 736 CZ ARG A 47 10.409 -11.847 -8.779 1.00 0.00 C ATOM 737 NH1 ARG A 47 10.716 -11.546 -10.048 1.00 0.00 N ATOM 738 NH2 ARG A 47 11.258 -12.572 -8.038 1.00 0.00 N ATOM 0 H ARG A 47 7.060 -7.019 -9.031 1.00 0.00 H new ATOM 0 HA ARG A 47 6.616 -9.216 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.107 -7.510 -7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.079 -9.072 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.108 -8.632 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.743 -9.123 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.286 -10.678 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.110 -11.027 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 47 9.050 -11.671 -7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.069 -10.995 -10.612 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.597 -11.868 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.024 -12.802 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.139 -12.894 -8.440 1.00 0.00 H new ATOM 752 N GLU A 48 7.425 -6.337 -5.904 1.00 0.00 N ATOM 753 CA GLU A 48 7.406 -5.598 -4.654 1.00 0.00 C ATOM 754 C GLU A 48 5.965 -5.367 -4.195 1.00 0.00 C ATOM 755 O GLU A 48 5.707 -5.210 -3.002 1.00 0.00 O ATOM 756 CB GLU A 48 8.158 -4.272 -4.789 1.00 0.00 C ATOM 757 CG GLU A 48 9.419 -4.266 -3.923 1.00 0.00 C ATOM 758 CD GLU A 48 10.191 -5.579 -4.070 1.00 0.00 C ATOM 759 OE1 GLU A 48 10.307 -6.043 -5.224 1.00 0.00 O ATOM 760 OE2 GLU A 48 10.648 -6.088 -3.023 1.00 0.00 O ATOM 0 H GLU A 48 7.745 -5.801 -6.711 1.00 0.00 H new ATOM 0 HA GLU A 48 7.917 -6.192 -3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.428 -4.108 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.507 -3.449 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.058 -3.430 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.147 -4.115 -2.878 1.00 0.00 H new ATOM 768 N CYS A 49 5.064 -5.353 -5.166 1.00 0.00 N ATOM 769 CA CYS A 49 3.656 -5.143 -4.877 1.00 0.00 C ATOM 770 C CYS A 49 3.226 -6.162 -3.819 1.00 0.00 C ATOM 771 O CYS A 49 2.946 -5.797 -2.678 1.00 0.00 O ATOM 772 CB CYS A 49 2.798 -5.237 -6.141 1.00 0.00 C ATOM 773 SG CYS A 49 3.093 -3.912 -7.367 1.00 0.00 S ATOM 0 H CYS A 49 5.282 -5.484 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 49 3.508 -4.134 -4.491 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.981 -6.200 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.747 -5.218 -5.852 1.00 0.00 H new ATOM 778 N ASP A 50 3.186 -7.420 -4.236 1.00 0.00 N ATOM 779 CA ASP A 50 2.795 -8.493 -3.339 1.00 0.00 C ATOM 780 C ASP A 50 3.696 -8.473 -2.102 1.00 0.00 C ATOM 781 O ASP A 50 3.307 -8.951 -1.038 1.00 0.00 O ATOM 782 CB ASP A 50 2.948 -9.858 -4.014 1.00 0.00 C ATOM 783 CG ASP A 50 1.898 -10.897 -3.615 1.00 0.00 C ATOM 784 OD1 ASP A 50 1.099 -10.579 -2.709 1.00 0.00 O ATOM 785 OD2 ASP A 50 1.920 -11.988 -4.227 1.00 0.00 O ATOM 0 H ASP A 50 3.418 -7.719 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 50 1.751 -8.340 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.908 -9.719 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.936 -10.254 -3.780 1.00 0.00 H new ATOM 791 N HIS A 51 4.883 -7.914 -2.285 1.00 0.00 N ATOM 792 CA HIS A 51 5.843 -7.825 -1.197 1.00 0.00 C ATOM 793 C HIS A 51 5.528 -6.603 -0.334 1.00 0.00 C ATOM 794 O HIS A 51 6.231 -6.327 0.637 1.00 0.00 O ATOM 795 CB HIS A 51 7.275 -7.819 -1.735 1.00 0.00 C ATOM 796 CG HIS A 51 8.292 -8.404 -0.785 1.00 0.00 C ATOM 797 ND1 HIS A 51 8.380 -9.759 -0.522 1.00 0.00 N ATOM 798 CD2 HIS A 51 9.262 -7.803 -0.038 1.00 0.00 C ATOM 799 CE1 HIS A 51 9.362 -9.954 0.346 1.00 0.00 C ATOM 800 NE2 HIS A 51 9.907 -8.740 0.645 1.00 0.00 N ATOM 0 H HIS A 51 5.202 -7.518 -3.169 1.00 0.00 H new ATOM 0 HA HIS A 51 5.760 -8.706 -0.561 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.303 -8.379 -2.670 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.560 -6.793 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.470 -6.744 -0.008 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.676 -10.907 0.746 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.683 -8.579 1.288 1.00 0.00 H new ATOM 809 N TYR A 52 4.472 -5.902 -0.719 1.00 0.00 N ATOM 810 CA TYR A 52 4.056 -4.715 0.008 1.00 0.00 C ATOM 811 C TYR A 52 2.703 -4.934 0.688 1.00 0.00 C ATOM 812 O TYR A 52 2.546 -4.646 1.873 1.00 0.00 O ATOM 813 CB TYR A 52 3.914 -3.607 -1.039 1.00 0.00 C ATOM 814 CG TYR A 52 3.974 -2.193 -0.460 1.00 0.00 C ATOM 815 CD1 TYR A 52 5.187 -1.650 -0.086 1.00 0.00 C ATOM 816 CD2 TYR A 52 2.815 -1.459 -0.312 1.00 0.00 C ATOM 817 CE1 TYR A 52 5.243 -0.319 0.458 1.00 0.00 C ATOM 818 CE2 TYR A 52 2.871 -0.126 0.233 1.00 0.00 C ATOM 819 CZ TYR A 52 4.083 0.377 0.592 1.00 0.00 C ATOM 820 OH TYR A 52 4.136 1.635 1.106 1.00 0.00 O ATOM 0 H TYR A 52 3.892 -6.133 -1.525 1.00 0.00 H new ATOM 0 HA TYR A 52 4.780 -4.467 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.705 -3.719 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.966 -3.735 -1.562 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.094 -2.224 -0.202 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.866 -1.883 -0.605 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.186 0.117 0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.972 0.460 0.354 1.00 0.00 H new ATOM 0 HH TYR A 52 4.830 2.149 0.643 1.00 0.00 H new ATOM 830 N VAL A 53 1.761 -5.442 -0.092 1.00 0.00 N ATOM 831 CA VAL A 53 0.426 -5.704 0.420 1.00 0.00 C ATOM 832 C VAL A 53 0.525 -6.596 1.658 1.00 0.00 C ATOM 833 O VAL A 53 -0.413 -6.672 2.450 1.00 0.00 O ATOM 834 CB VAL A 53 -0.449 -6.304 -0.682 1.00 0.00 C ATOM 835 CG1 VAL A 53 -0.238 -5.574 -2.010 1.00 0.00 C ATOM 836 CG2 VAL A 53 -0.187 -7.805 -0.834 1.00 0.00 C ATOM 0 H VAL A 53 1.895 -5.679 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.054 -4.775 0.727 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.491 -6.173 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.872 -6.021 -2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.498 -4.522 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.807 -5.658 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.822 -8.207 -1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.860 -7.967 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.412 -8.311 0.105 1.00 0.00 H new ATOM 846 N ASN A 54 1.671 -7.251 1.787 1.00 0.00 N ATOM 847 CA ASN A 54 1.904 -8.135 2.915 1.00 0.00 C ATOM 848 C ASN A 54 3.319 -7.907 3.451 1.00 0.00 C ATOM 849 O ASN A 54 4.201 -8.742 3.261 1.00 0.00 O ATOM 850 CB ASN A 54 1.788 -9.602 2.498 1.00 0.00 C ATOM 851 CG ASN A 54 0.422 -10.175 2.880 1.00 0.00 C ATOM 852 OD1 ASN A 54 -0.204 -9.766 3.844 1.00 0.00 O ATOM 853 ND2 ASN A 54 -0.006 -11.140 2.071 1.00 0.00 N ATOM 0 H ASN A 54 2.447 -7.186 1.128 1.00 0.00 H new ATOM 0 HA ASN A 54 1.155 -7.916 3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.935 -9.690 1.422 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.577 -10.183 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.908 -11.585 2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.568 -11.435 1.281 1.00 0.00 H new ATOM 860 N SER A 55 3.490 -6.772 4.113 1.00 0.00 N ATOM 861 CA SER A 55 4.783 -6.423 4.678 1.00 0.00 C ATOM 862 C SER A 55 4.802 -4.944 5.068 1.00 0.00 C ATOM 863 O SER A 55 5.505 -4.553 5.999 1.00 0.00 O ATOM 864 CB SER A 55 5.915 -6.727 3.694 1.00 0.00 C ATOM 865 OG SER A 55 6.494 -8.008 3.927 1.00 0.00 O ATOM 0 H SER A 55 2.755 -6.082 4.271 1.00 0.00 H new ATOM 0 HA SER A 55 4.941 -7.029 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.531 -6.682 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.685 -5.960 3.779 1.00 0.00 H new ATOM 0 HG SER A 55 5.865 -8.707 3.650 1.00 0.00 H new ATOM 871 N LYS A 56 4.021 -4.162 4.337 1.00 0.00 N ATOM 872 CA LYS A 56 3.939 -2.735 4.594 1.00 0.00 C ATOM 873 C LYS A 56 2.470 -2.311 4.632 1.00 0.00 C ATOM 874 O LYS A 56 2.164 -1.119 4.661 1.00 0.00 O ATOM 875 CB LYS A 56 4.777 -1.957 3.577 1.00 0.00 C ATOM 876 CG LYS A 56 6.210 -2.492 3.523 1.00 0.00 C ATOM 877 CD LYS A 56 7.102 -1.587 2.670 1.00 0.00 C ATOM 878 CE LYS A 56 8.568 -2.012 2.772 1.00 0.00 C ATOM 879 NZ LYS A 56 9.069 -2.465 1.454 1.00 0.00 N ATOM 0 H LYS A 56 3.439 -4.490 3.566 1.00 0.00 H new ATOM 0 HA LYS A 56 4.365 -2.500 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.320 -2.032 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.789 -0.900 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.615 -2.560 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.210 -3.501 3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.779 -1.628 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.996 -0.553 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.171 -1.177 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.670 -2.815 3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.065 -2.750 1.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.504 -3.275 1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.990 -1.688 0.767 1.00 0.00 H new ATOM 893 N VAL A 57 1.599 -3.309 4.629 1.00 0.00 N ATOM 894 CA VAL A 57 0.169 -3.055 4.663 1.00 0.00 C ATOM 895 C VAL A 57 -0.335 -3.189 6.101 1.00 0.00 C ATOM 896 O VAL A 57 -1.035 -2.310 6.602 1.00 0.00 O ATOM 897 CB VAL A 57 -0.552 -3.988 3.688 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.757 -4.653 4.356 1.00 0.00 C ATOM 899 CG2 VAL A 57 -0.971 -3.241 2.421 1.00 0.00 C ATOM 0 H VAL A 57 1.856 -4.296 4.604 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.045 -2.037 4.337 1.00 0.00 H new ATOM 0 HB VAL A 57 0.146 -4.773 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.252 -5.311 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.422 -5.236 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.457 -3.887 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.481 -3.928 1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.644 -2.425 2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.087 -2.837 1.928 1.00 0.00 H new ATOM 909 N ASP A 58 0.041 -4.294 6.726 1.00 0.00 N ATOM 910 CA ASP A 58 -0.363 -4.554 8.098 1.00 0.00 C ATOM 911 C ASP A 58 -0.066 -3.323 8.954 1.00 0.00 C ATOM 912 O ASP A 58 -0.889 -2.919 9.775 1.00 0.00 O ATOM 913 CB ASP A 58 0.409 -5.737 8.685 1.00 0.00 C ATOM 914 CG ASP A 58 -0.453 -6.790 9.384 1.00 0.00 C ATOM 915 OD1 ASP A 58 -1.241 -6.384 10.266 1.00 0.00 O ATOM 916 OD2 ASP A 58 -0.304 -7.977 9.021 1.00 0.00 O ATOM 0 H ASP A 58 0.622 -5.021 6.308 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.428 -4.784 8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.967 -6.220 7.883 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.140 -5.356 9.398 1.00 0.00 H new ATOM 922 N PRO A 59 1.144 -2.744 8.728 1.00 0.00 N ATOM 923 CA PRO A 59 1.559 -1.566 9.471 1.00 0.00 C ATOM 924 C PRO A 59 0.830 -0.317 8.971 1.00 0.00 C ATOM 925 O PRO A 59 0.175 0.376 9.747 1.00 0.00 O ATOM 926 CB PRO A 59 3.065 -1.491 9.278 1.00 0.00 C ATOM 927 CG PRO A 59 3.373 -2.351 8.064 1.00 0.00 C ATOM 928 CD PRO A 59 2.145 -3.194 7.765 1.00 0.00 C ATOM 0 HA PRO A 59 1.308 -1.626 10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 59 3.388 -0.462 9.120 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.590 -1.858 10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.624 -1.726 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.236 -2.989 8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.803 -3.047 6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.356 -4.257 7.881 1.00 0.00 H new ATOM 936 N ILE A 60 0.970 -0.067 7.677 1.00 0.00 N ATOM 937 CA ILE A 60 0.333 1.086 7.065 1.00 0.00 C ATOM 938 C ILE A 60 -1.118 1.174 7.541 1.00 0.00 C ATOM 939 O ILE A 60 -1.520 2.171 8.140 1.00 0.00 O ATOM 940 CB ILE A 60 0.478 1.032 5.542 1.00 0.00 C ATOM 941 CG1 ILE A 60 1.860 1.521 5.106 1.00 0.00 C ATOM 942 CG2 ILE A 60 -0.649 1.809 4.857 1.00 0.00 C ATOM 943 CD1 ILE A 60 1.978 1.543 3.580 1.00 0.00 C ATOM 0 H ILE A 60 1.515 -0.643 7.036 1.00 0.00 H new ATOM 0 HA ILE A 60 0.828 2.005 7.378 1.00 0.00 H new ATOM 0 HB ILE A 60 0.390 -0.007 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.038 2.521 5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.628 0.871 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.523 1.755 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.610 1.375 5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.618 2.851 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.970 1.894 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.824 0.537 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.224 2.213 3.166 1.00 0.00 H new ATOM 955 N ILE A 61 -1.867 0.118 7.257 1.00 0.00 N ATOM 956 CA ILE A 61 -3.264 0.064 7.651 1.00 0.00 C ATOM 957 C ILE A 61 -3.369 0.209 9.170 1.00 0.00 C ATOM 958 O ILE A 61 -4.425 0.565 9.691 1.00 0.00 O ATOM 959 CB ILE A 61 -3.925 -1.204 7.107 1.00 0.00 C ATOM 960 CG1 ILE A 61 -3.600 -1.399 5.625 1.00 0.00 C ATOM 961 CG2 ILE A 61 -5.433 -1.193 7.368 1.00 0.00 C ATOM 962 CD1 ILE A 61 -4.764 -2.072 4.892 1.00 0.00 C ATOM 0 H ILE A 61 -1.532 -0.707 6.759 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.815 0.897 7.213 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.513 -2.060 7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.386 -0.434 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.701 -2.007 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.878 -2.106 6.971 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.616 -1.137 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.881 -0.328 6.878 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.507 -2.199 3.840 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.960 -3.047 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.655 -1.450 4.975 1.00 0.00 H new ATOM 974 N HIS A 62 -2.260 -0.074 9.837 1.00 0.00 N ATOM 975 CA HIS A 62 -2.214 0.020 11.286 1.00 0.00 C ATOM 976 C HIS A 62 -2.393 1.480 11.711 1.00 0.00 C ATOM 977 O HIS A 62 -2.905 1.756 12.795 1.00 0.00 O ATOM 978 CB HIS A 62 -0.926 -0.601 11.831 1.00 0.00 C ATOM 979 CG HIS A 62 0.071 0.406 12.349 1.00 0.00 C ATOM 980 ND1 HIS A 62 0.777 0.224 13.526 1.00 0.00 N ATOM 981 CD2 HIS A 62 0.475 1.605 11.839 1.00 0.00 C ATOM 982 CE1 HIS A 62 1.565 1.274 13.707 1.00 0.00 C ATOM 983 NE2 HIS A 62 1.377 2.129 12.660 1.00 0.00 N ATOM 0 H HIS A 62 -1.386 -0.368 9.401 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.035 -0.552 11.717 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.180 -1.292 12.635 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.456 -1.189 11.042 1.00 0.00 H new ATOM 0 HD1 HIS A 62 0.703 -0.581 14.148 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.121 2.052 10.922 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.238 1.426 14.538 1.00 0.00 H new ATOM 992 N GLU A 63 -1.960 2.375 10.836 1.00 0.00 N ATOM 993 CA GLU A 63 -2.066 3.798 11.106 1.00 0.00 C ATOM 994 C GLU A 63 -3.467 4.304 10.753 1.00 0.00 C ATOM 995 O GLU A 63 -4.174 4.832 11.609 1.00 0.00 O ATOM 996 CB GLU A 63 -0.993 4.582 10.348 1.00 0.00 C ATOM 997 CG GLU A 63 0.141 5.006 11.284 1.00 0.00 C ATOM 998 CD GLU A 63 -0.328 6.092 12.256 1.00 0.00 C ATOM 999 OE1 GLU A 63 -1.274 5.801 13.018 1.00 0.00 O ATOM 1000 OE2 GLU A 63 0.272 7.188 12.214 1.00 0.00 O ATOM 0 H GLU A 63 -1.535 2.142 9.939 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.901 3.958 12.172 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.593 3.969 9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.439 5.464 9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.498 4.141 11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.982 5.376 10.698 1.00 0.00 H new ATOM 1008 N LEU A 64 -3.825 4.123 9.491 1.00 0.00 N ATOM 1009 CA LEU A 64 -5.128 4.553 9.014 1.00 0.00 C ATOM 1010 C LEU A 64 -6.213 4.007 9.944 1.00 0.00 C ATOM 1011 O LEU A 64 -7.136 4.729 10.319 1.00 0.00 O ATOM 1012 CB LEU A 64 -5.319 4.159 7.548 1.00 0.00 C ATOM 1013 CG LEU A 64 -4.252 4.660 6.573 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -4.068 3.683 5.410 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -4.575 6.074 6.087 1.00 0.00 C ATOM 0 H LEU A 64 -3.235 3.684 8.784 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.203 5.640 9.040 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.356 3.071 7.487 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.289 4.530 7.216 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.301 4.710 7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.304 4.064 4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.759 2.712 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.010 3.577 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.801 6.407 5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.539 6.073 5.579 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.615 6.752 6.940 1.00 0.00 H new ATOM 1027 N GLU A 65 -6.067 2.737 10.289 1.00 0.00 N ATOM 1028 CA GLU A 65 -7.022 2.086 11.169 1.00 0.00 C ATOM 1029 C GLU A 65 -6.975 2.714 12.563 1.00 0.00 C ATOM 1030 O GLU A 65 -7.989 2.772 13.257 1.00 0.00 O ATOM 1031 CB GLU A 65 -6.766 0.579 11.238 1.00 0.00 C ATOM 1032 CG GLU A 65 -5.634 0.260 12.216 1.00 0.00 C ATOM 1033 CD GLU A 65 -6.141 0.254 13.660 1.00 0.00 C ATOM 1034 OE1 GLU A 65 -7.171 -0.413 13.897 1.00 0.00 O ATOM 1035 OE2 GLU A 65 -5.488 0.919 14.493 1.00 0.00 O ATOM 0 H GLU A 65 -5.301 2.141 9.975 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.021 2.233 10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.676 0.066 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.512 0.204 10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.203 -0.712 11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.838 0.997 12.109 1.00 0.00 H new ATOM 1043 N GLY A 66 -5.786 3.168 12.932 1.00 0.00 N ATOM 1044 CA GLY A 66 -5.593 3.791 14.232 1.00 0.00 C ATOM 1045 C GLY A 66 -6.264 5.164 14.287 1.00 0.00 C ATOM 1046 O GLY A 66 -6.837 5.538 15.308 1.00 0.00 O ATOM 0 H GLY A 66 -4.947 3.117 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.005 3.150 15.011 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.527 3.895 14.435 1.00 0.00 H new ATOM 1050 N GLY A 67 -6.171 5.878 13.175 1.00 0.00 N ATOM 1051 CA GLY A 67 -6.762 7.203 13.083 1.00 0.00 C ATOM 1052 C GLY A 67 -5.909 8.125 12.211 1.00 0.00 C ATOM 1053 O GLY A 67 -6.366 9.187 11.791 1.00 0.00 O ATOM 0 H GLY A 67 -5.695 5.564 12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.766 7.129 12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.862 7.630 14.081 1.00 0.00 H new ATOM 1057 N THR A 68 -4.683 7.686 11.963 1.00 0.00 N ATOM 1058 CA THR A 68 -3.762 8.459 11.148 1.00 0.00 C ATOM 1059 C THR A 68 -4.319 8.634 9.734 1.00 0.00 C ATOM 1060 O THR A 68 -5.113 7.817 9.270 1.00 0.00 O ATOM 1061 CB THR A 68 -2.400 7.762 11.183 1.00 0.00 C ATOM 1062 OG1 THR A 68 -1.829 8.179 12.420 1.00 0.00 O ATOM 1063 CG2 THR A 68 -1.437 8.306 10.127 1.00 0.00 C ATOM 0 H THR A 68 -4.307 6.805 12.312 1.00 0.00 H new ATOM 0 HA THR A 68 -3.637 9.468 11.541 1.00 0.00 H new ATOM 0 HB THR A 68 -2.536 6.691 11.033 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.853 8.212 12.335 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.486 7.778 10.195 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.864 8.159 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.274 9.370 10.297 1.00 0.00 H new ATOM 1071 N ALA A 69 -3.879 9.704 9.087 1.00 0.00 N ATOM 1072 CA ALA A 69 -4.324 9.996 7.735 1.00 0.00 C ATOM 1073 C ALA A 69 -3.536 9.133 6.746 1.00 0.00 C ATOM 1074 O ALA A 69 -2.554 8.494 7.120 1.00 0.00 O ATOM 1075 CB ALA A 69 -4.167 11.491 7.457 1.00 0.00 C ATOM 0 H ALA A 69 -3.219 10.379 9.474 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.380 9.752 7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.501 11.709 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.769 12.058 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.119 11.773 7.563 1.00 0.00 H new ATOM 1081 N PRO A 70 -4.009 9.143 5.471 1.00 0.00 N ATOM 1082 CA PRO A 70 -3.361 8.370 4.426 1.00 0.00 C ATOM 1083 C PRO A 70 -2.054 9.033 3.983 1.00 0.00 C ATOM 1084 O PRO A 70 -1.228 8.407 3.322 1.00 0.00 O ATOM 1085 CB PRO A 70 -4.388 8.277 3.310 1.00 0.00 C ATOM 1086 CG PRO A 70 -5.392 9.386 3.574 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.170 9.887 4.993 1.00 0.00 C ATOM 0 HA PRO A 70 -3.066 7.376 4.761 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.917 8.401 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.875 7.302 3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.262 10.197 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.410 9.016 3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.986 10.961 5.009 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.043 9.703 5.619 1.00 0.00 H new ATOM 1095 N LYS A 71 -1.909 10.294 4.367 1.00 0.00 N ATOM 1096 CA LYS A 71 -0.719 11.049 4.018 1.00 0.00 C ATOM 1097 C LYS A 71 0.126 11.271 5.274 1.00 0.00 C ATOM 1098 O LYS A 71 1.035 12.100 5.277 1.00 0.00 O ATOM 1099 CB LYS A 71 -1.098 12.344 3.296 1.00 0.00 C ATOM 1100 CG LYS A 71 -1.827 13.303 4.238 1.00 0.00 C ATOM 1101 CD LYS A 71 -2.877 14.122 3.483 1.00 0.00 C ATOM 1102 CE LYS A 71 -4.288 13.605 3.773 1.00 0.00 C ATOM 1103 NZ LYS A 71 -5.290 14.662 3.512 1.00 0.00 N ATOM 0 H LYS A 71 -2.596 10.810 4.916 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.105 10.487 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.200 12.824 2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.734 12.115 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.307 12.738 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.108 13.973 4.709 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.803 15.170 3.773 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.681 14.073 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.498 12.735 3.151 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.356 13.279 4.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.242 14.295 3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.098 15.481 4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.235 14.954 2.515 1.00 0.00 H new ATOM 1117 N ASP A 72 -0.204 10.514 6.311 1.00 0.00 N ATOM 1118 CA ASP A 72 0.514 10.617 7.570 1.00 0.00 C ATOM 1119 C ASP A 72 1.042 9.237 7.966 1.00 0.00 C ATOM 1120 O ASP A 72 1.689 9.089 9.000 1.00 0.00 O ATOM 1121 CB ASP A 72 -0.406 11.110 8.689 1.00 0.00 C ATOM 1122 CG ASP A 72 -0.667 12.617 8.694 1.00 0.00 C ATOM 1123 OD1 ASP A 72 0.017 13.315 7.915 1.00 0.00 O ATOM 1124 OD2 ASP A 72 -1.545 13.038 9.479 1.00 0.00 O ATOM 0 H ASP A 72 -0.958 9.828 6.305 1.00 0.00 H new ATOM 0 HA ASP A 72 1.331 11.326 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.361 10.591 8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.030 10.829 9.648 1.00 0.00 H new ATOM 1130 N VAL A 73 0.745 8.260 7.121 1.00 0.00 N ATOM 1131 CA VAL A 73 1.182 6.897 7.368 1.00 0.00 C ATOM 1132 C VAL A 73 2.561 6.686 6.741 1.00 0.00 C ATOM 1133 O VAL A 73 3.414 6.012 7.317 1.00 0.00 O ATOM 1134 CB VAL A 73 0.133 5.910 6.855 1.00 0.00 C ATOM 1135 CG1 VAL A 73 0.516 4.470 7.205 1.00 0.00 C ATOM 1136 CG2 VAL A 73 -1.257 6.255 7.395 1.00 0.00 C ATOM 0 H VAL A 73 0.206 8.386 6.264 1.00 0.00 H new ATOM 0 HA VAL A 73 1.282 6.716 8.438 1.00 0.00 H new ATOM 0 HB VAL A 73 0.100 5.993 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.247 3.789 6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.476 4.228 6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.592 4.367 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.984 5.537 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.244 6.216 8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.534 7.258 7.071 1.00 0.00 H new ATOM 1146 N CYS A 74 2.737 7.273 5.566 1.00 0.00 N ATOM 1147 CA CYS A 74 3.998 7.158 4.853 1.00 0.00 C ATOM 1148 C CYS A 74 5.049 7.983 5.599 1.00 0.00 C ATOM 1149 O CYS A 74 6.230 7.946 5.255 1.00 0.00 O ATOM 1150 CB CYS A 74 3.863 7.592 3.392 1.00 0.00 C ATOM 1151 SG CYS A 74 2.213 7.307 2.655 1.00 0.00 S ATOM 0 H CYS A 74 2.027 7.830 5.090 1.00 0.00 H new ATOM 0 HA CYS A 74 4.310 6.114 4.826 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.099 8.654 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.607 7.059 2.799 1.00 0.00 H new ATOM 1156 N THR A 75 4.582 8.706 6.605 1.00 0.00 N ATOM 1157 CA THR A 75 5.467 9.537 7.403 1.00 0.00 C ATOM 1158 C THR A 75 5.533 9.021 8.841 1.00 0.00 C ATOM 1159 O THR A 75 6.468 9.336 9.576 1.00 0.00 O ATOM 1160 CB THR A 75 4.979 10.984 7.298 1.00 0.00 C ATOM 1161 OG1 THR A 75 5.450 11.418 6.025 1.00 0.00 O ATOM 1162 CG2 THR A 75 5.680 11.912 8.292 1.00 0.00 C ATOM 0 H THR A 75 3.602 8.734 6.886 1.00 0.00 H new ATOM 0 HA THR A 75 6.490 9.495 7.030 1.00 0.00 H new ATOM 0 HB THR A 75 3.903 11.017 7.468 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.176 12.347 5.874 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.297 12.926 8.175 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.490 11.567 9.308 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.753 11.905 8.101 1.00 0.00 H new ATOM 1170 N LYS A 76 4.528 8.236 9.201 1.00 0.00 N ATOM 1171 CA LYS A 76 4.460 7.672 10.538 1.00 0.00 C ATOM 1172 C LYS A 76 5.593 6.662 10.720 1.00 0.00 C ATOM 1173 O LYS A 76 6.546 6.916 11.455 1.00 0.00 O ATOM 1174 CB LYS A 76 3.070 7.092 10.805 1.00 0.00 C ATOM 1175 CG LYS A 76 2.957 6.573 12.240 1.00 0.00 C ATOM 1176 CD LYS A 76 2.907 7.731 13.238 1.00 0.00 C ATOM 1177 CE LYS A 76 3.549 7.335 14.570 1.00 0.00 C ATOM 1178 NZ LYS A 76 4.241 8.493 15.177 1.00 0.00 N ATOM 0 H LYS A 76 3.754 7.977 8.589 1.00 0.00 H new ATOM 0 HA LYS A 76 4.604 8.451 11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.314 7.857 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.870 6.281 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.060 5.962 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.807 5.930 12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.425 8.596 12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.872 8.029 13.403 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.785 6.962 15.252 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.258 6.523 14.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.671 8.207 16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.983 8.831 14.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.556 9.257 15.347 1.00 0.00 H new ATOM 1192 N LEU A 77 5.452 5.534 10.037 1.00 0.00 N ATOM 1193 CA LEU A 77 6.453 4.483 10.114 1.00 0.00 C ATOM 1194 C LEU A 77 7.553 4.756 9.085 1.00 0.00 C ATOM 1195 O LEU A 77 8.133 3.825 8.531 1.00 0.00 O ATOM 1196 CB LEU A 77 5.799 3.108 9.964 1.00 0.00 C ATOM 1197 CG LEU A 77 4.298 3.045 10.256 1.00 0.00 C ATOM 1198 CD1 LEU A 77 3.787 1.604 10.190 1.00 0.00 C ATOM 1199 CD2 LEU A 77 3.972 3.707 11.596 1.00 0.00 C ATOM 0 H LEU A 77 4.660 5.326 9.429 1.00 0.00 H new ATOM 0 HA LEU A 77 6.927 4.480 11.096 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.966 2.757 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.308 2.411 10.629 1.00 0.00 H new ATOM 0 HG LEU A 77 3.776 3.608 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.718 1.587 10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.966 1.200 9.194 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.312 0.998 10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.899 3.649 11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.505 3.192 12.395 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.279 4.753 11.570 1.00 0.00 H new ATOM 1211 N ASN A 78 7.804 6.037 8.860 1.00 0.00 N ATOM 1212 CA ASN A 78 8.823 6.444 7.909 1.00 0.00 C ATOM 1213 C ASN A 78 8.805 5.492 6.710 1.00 0.00 C ATOM 1214 O ASN A 78 9.841 5.240 6.097 1.00 0.00 O ATOM 1215 CB ASN A 78 10.217 6.387 8.535 1.00 0.00 C ATOM 1216 CG ASN A 78 11.040 7.620 8.158 1.00 0.00 C ATOM 1217 OD1 ASN A 78 11.263 8.518 8.952 1.00 0.00 O ATOM 1218 ND2 ASN A 78 11.478 7.614 6.902 1.00 0.00 N ATOM 0 H ASN A 78 7.319 6.807 9.320 1.00 0.00 H new ATOM 0 HA ASN A 78 8.607 7.468 7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 78 10.130 6.322 9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.732 5.486 8.202 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.036 8.393 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.256 6.830 6.288 1.00 0.00 H new ATOM 1225 N GLU A 79 7.616 4.990 6.413 1.00 0.00 N ATOM 1226 CA GLU A 79 7.448 4.071 5.299 1.00 0.00 C ATOM 1227 C GLU A 79 8.069 4.659 4.030 1.00 0.00 C ATOM 1228 O GLU A 79 9.079 4.155 3.539 1.00 0.00 O ATOM 1229 CB GLU A 79 5.972 3.736 5.083 1.00 0.00 C ATOM 1230 CG GLU A 79 5.343 3.175 6.360 1.00 0.00 C ATOM 1231 CD GLU A 79 5.674 1.690 6.526 1.00 0.00 C ATOM 1232 OE1 GLU A 79 6.813 1.319 6.170 1.00 0.00 O ATOM 1233 OE2 GLU A 79 4.780 0.960 7.007 1.00 0.00 O ATOM 0 H GLU A 79 6.759 5.202 6.924 1.00 0.00 H new ATOM 0 HA GLU A 79 7.966 3.142 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.434 4.632 4.772 1.00 0.00 H new ATOM 0 HB3 GLU A 79 5.875 3.009 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.707 3.731 7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.262 3.309 6.327 1.00 0.00 H new ATOM 1241 N CYS A 80 7.440 5.713 3.535 1.00 0.00 N ATOM 1242 CA CYS A 80 7.918 6.374 2.332 1.00 0.00 C ATOM 1243 C CYS A 80 9.407 6.676 2.510 1.00 0.00 C ATOM 1244 O CYS A 80 9.777 7.573 3.266 1.00 0.00 O ATOM 1245 CB CYS A 80 7.113 7.638 2.021 1.00 0.00 C ATOM 1246 SG CYS A 80 7.931 8.808 0.879 1.00 0.00 S ATOM 0 H CYS A 80 6.603 6.127 3.945 1.00 0.00 H new ATOM 0 HA CYS A 80 7.781 5.716 1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.154 7.345 1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.900 8.155 2.957 1.00 0.00 H new ATOM 1251 N PRO A 81 10.245 5.890 1.781 1.00 0.00 N ATOM 1252 CA PRO A 81 11.685 6.065 1.850 1.00 0.00 C ATOM 1253 C PRO A 81 12.124 7.308 1.077 1.00 0.00 C ATOM 1254 O PRO A 81 12.514 8.310 1.674 1.00 0.00 O ATOM 1255 CB PRO A 81 12.265 4.778 1.285 1.00 0.00 C ATOM 1256 CG PRO A 81 11.141 4.126 0.494 1.00 0.00 C ATOM 1257 CD PRO A 81 9.842 4.818 0.875 1.00 0.00 C ATOM 0 HA PRO A 81 12.040 6.234 2.867 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.124 4.984 0.646 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.612 4.122 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.324 4.219 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.086 3.060 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.331 5.213 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 81 9.153 4.127 1.361 1.00 0.00 H new TER 1265 PRO A 81