USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 465 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 45 TYR OH : rot 45:sc= 0.335 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 ASN : amide:sc= -0.421 K(o=-0.42,f=-1.4!) USER MOD Single : A 1 THR N :NH3+ -174:sc= 0.798 (180deg=0.739) USER MOD Single : A 1 THR OG1 : rot 31:sc= 0.412 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 15:sc= -1.37 USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.203 (180deg=-0.871) USER MOD Single : A 8 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.5!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc=-0.00773 (180deg=-0.00773) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0174) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= -1.67 (180deg=-1.75) USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.0148 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.734 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.931 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 5.293 -13.845 4.736 1.00 0.00 N ATOM 2 CA THR A 1 4.254 -13.262 3.847 1.00 0.00 C ATOM 3 C THR A 1 4.654 -11.866 3.376 1.00 0.00 C ATOM 4 O THR A 1 4.731 -10.930 4.171 1.00 0.00 O ATOM 5 CB THR A 1 2.933 -13.200 4.616 1.00 0.00 C ATOM 6 OG1 THR A 1 3.102 -12.523 5.849 1.00 0.00 O ATOM 7 CG2 THR A 1 2.354 -14.566 4.918 1.00 0.00 C ATOM 0 H1 THR A 1 5.046 -14.830 4.959 1.00 0.00 H new ATOM 0 H2 THR A 1 6.215 -13.820 4.255 1.00 0.00 H new ATOM 0 H3 THR A 1 5.346 -13.293 5.616 1.00 0.00 H new ATOM 0 HA THR A 1 4.145 -13.890 2.963 1.00 0.00 H new ATOM 0 HB THR A 1 2.242 -12.665 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 1 3.809 -11.851 5.759 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.418 -14.452 5.465 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.166 -15.096 3.984 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.060 -15.135 5.523 1.00 0.00 H new ATOM 17 N THR A 2 4.907 -11.737 2.077 1.00 0.00 N ATOM 18 CA THR A 2 5.298 -10.456 1.500 1.00 0.00 C ATOM 19 C THR A 2 4.083 -9.710 0.956 1.00 0.00 C ATOM 20 O THR A 2 3.225 -10.299 0.300 1.00 0.00 O ATOM 21 CB THR A 2 6.322 -10.667 0.385 1.00 0.00 C ATOM 22 OG1 THR A 2 6.692 -9.431 -0.198 1.00 0.00 O ATOM 23 CG2 THR A 2 5.822 -11.567 -0.724 1.00 0.00 C ATOM 0 H THR A 2 4.848 -12.503 1.406 1.00 0.00 H new ATOM 0 HA THR A 2 5.749 -9.853 2.289 1.00 0.00 H new ATOM 0 HB THR A 2 7.175 -11.147 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.349 -9.588 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.597 -11.675 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.576 -12.547 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.932 -11.129 -1.175 1.00 0.00 H new ATOM 31 N TYR A 3 4.019 -8.412 1.235 1.00 0.00 N ATOM 32 CA TYR A 3 2.910 -7.586 0.773 1.00 0.00 C ATOM 33 C TYR A 3 3.421 -6.365 0.014 1.00 0.00 C ATOM 34 O TYR A 3 4.500 -5.847 0.306 1.00 0.00 O ATOM 35 CB TYR A 3 2.050 -7.140 1.956 1.00 0.00 C ATOM 36 CG TYR A 3 1.404 -8.286 2.702 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.135 -9.061 3.595 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.062 -8.594 2.512 1.00 0.00 C ATOM 39 CE1 TYR A 3 1.547 -10.109 4.277 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.533 -9.641 3.192 1.00 0.00 C ATOM 41 CZ TYR A 3 0.214 -10.394 4.072 1.00 0.00 C ATOM 42 OH TYR A 3 -0.375 -11.436 4.749 1.00 0.00 O ATOM 0 H TYR A 3 4.721 -7.910 1.778 1.00 0.00 H new ATOM 0 HA TYR A 3 2.302 -8.186 0.096 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.668 -6.569 2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.272 -6.468 1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.180 -8.840 3.758 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.526 -8.006 1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.129 -10.702 4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.577 -9.867 3.034 1.00 0.00 H new ATOM 0 HH TYR A 3 0.202 -11.711 5.492 1.00 0.00 H new ATOM 52 N LYS A 4 2.639 -5.909 -0.959 1.00 0.00 N ATOM 53 CA LYS A 4 3.013 -4.748 -1.759 1.00 0.00 C ATOM 54 C LYS A 4 1.846 -3.776 -1.884 1.00 0.00 C ATOM 55 O LYS A 4 0.683 -4.181 -1.857 1.00 0.00 O ATOM 56 CB LYS A 4 3.482 -5.190 -3.147 1.00 0.00 C ATOM 57 CG LYS A 4 4.760 -6.014 -3.121 1.00 0.00 C ATOM 58 CD LYS A 4 4.667 -7.217 -4.045 1.00 0.00 C ATOM 59 CE LYS A 4 6.014 -7.905 -4.200 1.00 0.00 C ATOM 60 NZ LYS A 4 7.112 -6.930 -4.443 1.00 0.00 N ATOM 0 H LYS A 4 1.743 -6.325 -1.213 1.00 0.00 H new ATOM 0 HA LYS A 4 3.833 -4.236 -1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.692 -5.774 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.641 -4.307 -3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.603 -5.390 -3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.956 -6.350 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.939 -7.925 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.305 -6.899 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.233 -8.481 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.967 -8.612 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.935 -7.426 -4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.789 -6.204 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.380 -6.478 -3.546 1.00 0.00 H new ATOM 74 N LEU A 5 2.165 -2.493 -2.006 1.00 0.00 N ATOM 75 CA LEU A 5 1.142 -1.466 -2.120 1.00 0.00 C ATOM 76 C LEU A 5 1.444 -0.504 -3.269 1.00 0.00 C ATOM 77 O LEU A 5 2.536 0.056 -3.352 1.00 0.00 O ATOM 78 CB LEU A 5 1.025 -0.705 -0.797 1.00 0.00 C ATOM 79 CG LEU A 5 0.472 0.724 -0.898 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.849 0.734 -1.651 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.298 1.329 0.486 1.00 0.00 C ATOM 0 H LEU A 5 3.122 -2.142 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 5 0.191 -1.951 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.384 -1.276 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.012 -0.661 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 5 1.189 1.330 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.225 1.755 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.697 0.342 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.573 0.112 -1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.095 2.342 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.398 0.721 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.262 1.359 0.994 1.00 0.00 H new ATOM 93 N ILE A 6 0.459 -0.310 -4.142 1.00 0.00 N ATOM 94 CA ILE A 6 0.608 0.592 -5.277 1.00 0.00 C ATOM 95 C ILE A 6 -0.095 1.916 -5.002 1.00 0.00 C ATOM 96 O ILE A 6 -1.323 1.991 -4.994 1.00 0.00 O ATOM 97 CB ILE A 6 0.046 -0.029 -6.572 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.688 -1.391 -6.826 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.269 0.901 -7.757 1.00 0.00 C ATOM 100 CD1 ILE A 6 2.168 -1.304 -7.096 1.00 0.00 C ATOM 0 H ILE A 6 -0.451 -0.767 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 6 1.675 0.768 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.028 -0.169 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.519 -2.033 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.197 -1.865 -7.676 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.135 0.443 -8.660 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.235 1.850 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.337 1.076 -7.886 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.566 -2.304 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.341 -0.687 -7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.669 -0.858 -6.237 1.00 0.00 H new ATOM 112 N LEU A 7 0.695 2.958 -4.764 1.00 0.00 N ATOM 113 CA LEU A 7 0.154 4.280 -4.475 1.00 0.00 C ATOM 114 C LEU A 7 0.152 5.160 -5.720 1.00 0.00 C ATOM 115 O LEU A 7 1.203 5.436 -6.298 1.00 0.00 O ATOM 116 CB LEU A 7 0.969 4.952 -3.370 1.00 0.00 C ATOM 117 CG LEU A 7 0.940 4.236 -2.019 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.215 4.516 -1.238 1.00 0.00 C ATOM 119 CD2 LEU A 7 -0.283 4.660 -1.218 1.00 0.00 C ATOM 0 H LEU A 7 1.714 2.912 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.876 4.155 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.005 5.031 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.599 5.968 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 7 0.878 3.163 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.176 3.998 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.075 4.162 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.309 5.588 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.288 4.141 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.251 5.736 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.187 4.407 -1.772 1.00 0.00 H new ATOM 131 N ASN A 8 -1.034 5.601 -6.125 1.00 0.00 N ATOM 132 CA ASN A 8 -1.170 6.457 -7.298 1.00 0.00 C ATOM 133 C ASN A 8 -1.888 7.754 -6.941 1.00 0.00 C ATOM 134 O ASN A 8 -3.114 7.787 -6.824 1.00 0.00 O ATOM 135 CB ASN A 8 -1.930 5.724 -8.405 1.00 0.00 C ATOM 136 CG ASN A 8 -1.824 6.423 -9.747 1.00 0.00 C ATOM 137 OD1 ASN A 8 -2.821 6.595 -10.448 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.616 6.820 -10.112 1.00 0.00 N ATOM 0 H ASN A 8 -1.914 5.380 -5.659 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.171 6.703 -7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.542 4.709 -8.496 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.980 5.640 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.483 7.290 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.182 6.656 -9.498 1.00 0.00 H new ATOM 145 N LEU A 9 -1.116 8.812 -6.768 1.00 0.00 N ATOM 146 CA LEU A 9 -1.666 10.121 -6.429 1.00 0.00 C ATOM 147 C LEU A 9 -1.428 11.116 -7.559 1.00 0.00 C ATOM 148 O LEU A 9 -0.826 10.774 -8.576 1.00 0.00 O ATOM 149 CB LEU A 9 -1.042 10.643 -5.132 1.00 0.00 C ATOM 150 CG LEU A 9 0.472 10.435 -5.013 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.153 11.707 -4.540 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.778 9.287 -4.067 1.00 0.00 C ATOM 0 H LEU A 9 -0.100 8.794 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.741 10.010 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.255 11.709 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.529 10.152 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 9 0.861 10.184 -6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.227 11.537 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.963 12.509 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.759 11.989 -3.564 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.857 9.153 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.373 9.511 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.324 8.372 -4.447 1.00 0.00 H new ATOM 164 N LYS A 10 -1.897 12.345 -7.374 1.00 0.00 N ATOM 165 CA LYS A 10 -1.727 13.383 -8.380 1.00 0.00 C ATOM 166 C LYS A 10 -0.345 14.038 -8.269 1.00 0.00 C ATOM 167 O LYS A 10 -0.224 15.261 -8.218 1.00 0.00 O ATOM 168 CB LYS A 10 -2.817 14.450 -8.235 1.00 0.00 C ATOM 169 CG LYS A 10 -3.310 15.003 -9.563 1.00 0.00 C ATOM 170 CD LYS A 10 -2.607 16.301 -9.922 1.00 0.00 C ATOM 171 CE LYS A 10 -3.408 17.103 -10.932 1.00 0.00 C ATOM 172 NZ LYS A 10 -3.057 18.549 -10.891 1.00 0.00 N ATOM 0 H LYS A 10 -2.397 12.645 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.810 12.914 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.661 14.023 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.432 15.271 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.142 14.267 -10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.385 15.173 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.455 16.896 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.620 16.082 -10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.226 16.713 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.472 16.981 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.624 19.064 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.255 18.927 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.047 18.667 -11.107 1.00 0.00 H new ATOM 186 N GLN A 11 0.691 13.203 -8.226 1.00 0.00 N ATOM 187 CA GLN A 11 2.066 13.683 -8.118 1.00 0.00 C ATOM 188 C GLN A 11 3.038 12.506 -8.048 1.00 0.00 C ATOM 189 O GLN A 11 3.469 12.109 -6.968 1.00 0.00 O ATOM 190 CB GLN A 11 2.228 14.561 -6.875 1.00 0.00 C ATOM 191 CG GLN A 11 3.168 15.750 -7.094 1.00 0.00 C ATOM 192 CD GLN A 11 4.366 15.719 -6.165 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.422 16.460 -5.182 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.336 14.872 -6.479 1.00 0.00 N ATOM 0 H GLN A 11 0.603 12.188 -8.264 1.00 0.00 H new ATOM 0 HA GLN A 11 2.292 14.277 -9.004 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.249 14.931 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.608 13.952 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.513 15.751 -8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.617 16.678 -6.941 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.247 14.277 -7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.172 14.815 -5.897 1.00 0.00 H new ATOM 203 N ALA A 12 3.375 11.956 -9.210 1.00 0.00 N ATOM 204 CA ALA A 12 4.293 10.825 -9.284 1.00 0.00 C ATOM 205 C ALA A 12 3.681 9.581 -8.639 1.00 0.00 C ATOM 206 O ALA A 12 2.657 9.667 -7.963 1.00 0.00 O ATOM 207 CB ALA A 12 5.619 11.165 -8.619 1.00 0.00 C ATOM 0 H ALA A 12 3.026 12.275 -10.114 1.00 0.00 H new ATOM 0 HA ALA A 12 4.476 10.611 -10.337 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.289 10.308 -8.685 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.071 12.019 -9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.448 11.412 -7.571 1.00 0.00 H new ATOM 213 N LYS A 13 4.315 8.433 -8.857 1.00 0.00 N ATOM 214 CA LYS A 13 3.832 7.175 -8.300 1.00 0.00 C ATOM 215 C LYS A 13 4.856 6.576 -7.344 1.00 0.00 C ATOM 216 O LYS A 13 6.060 6.622 -7.598 1.00 0.00 O ATOM 217 CB LYS A 13 3.521 6.182 -9.425 1.00 0.00 C ATOM 218 CG LYS A 13 3.063 4.827 -8.936 1.00 0.00 C ATOM 219 CD LYS A 13 2.438 4.011 -10.057 1.00 0.00 C ATOM 220 CE LYS A 13 2.471 2.523 -9.748 1.00 0.00 C ATOM 221 NZ LYS A 13 1.524 1.756 -10.604 1.00 0.00 N ATOM 0 H LYS A 13 5.164 8.348 -9.415 1.00 0.00 H new ATOM 0 HA LYS A 13 2.918 7.379 -7.742 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.749 6.606 -10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.412 6.054 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.911 4.284 -8.519 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.339 4.955 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.407 4.329 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.971 4.202 -10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.482 2.144 -9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.222 2.365 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.577 0.746 -10.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.555 2.100 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.777 1.886 -11.604 1.00 0.00 H new ATOM 235 N GLU A 14 4.370 6.009 -6.243 1.00 0.00 N ATOM 236 CA GLU A 14 5.245 5.396 -5.250 1.00 0.00 C ATOM 237 C GLU A 14 4.737 4.010 -4.858 1.00 0.00 C ATOM 238 O GLU A 14 3.528 3.782 -4.780 1.00 0.00 O ATOM 239 CB GLU A 14 5.350 6.288 -4.010 1.00 0.00 C ATOM 240 CG GLU A 14 6.694 6.985 -3.877 1.00 0.00 C ATOM 241 CD GLU A 14 7.186 7.036 -2.443 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.603 5.981 -1.920 1.00 0.00 O ATOM 243 OE2 GLU A 14 7.153 8.130 -1.842 1.00 0.00 O ATOM 0 H GLU A 14 3.377 5.962 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 14 6.235 5.287 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.562 7.040 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.174 5.683 -3.121 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.430 6.467 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.613 8.000 -4.265 1.00 0.00 H new ATOM 250 N GLU A 15 5.663 3.090 -4.614 1.00 0.00 N ATOM 251 CA GLU A 15 5.305 1.728 -4.234 1.00 0.00 C ATOM 252 C GLU A 15 5.831 1.385 -2.844 1.00 0.00 C ATOM 253 O GLU A 15 6.967 1.709 -2.500 1.00 0.00 O ATOM 254 CB GLU A 15 5.855 0.728 -5.252 1.00 0.00 C ATOM 255 CG GLU A 15 5.154 0.785 -6.600 1.00 0.00 C ATOM 256 CD GLU A 15 5.831 -0.080 -7.645 1.00 0.00 C ATOM 257 OE1 GLU A 15 6.828 0.380 -8.240 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.362 -1.216 -7.871 1.00 0.00 O ATOM 0 H GLU A 15 6.667 3.262 -4.672 1.00 0.00 H new ATOM 0 HA GLU A 15 4.217 1.665 -4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.919 0.917 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.763 -0.279 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.119 0.463 -6.482 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.128 1.817 -6.949 1.00 0.00 H new ATOM 265 N ALA A 16 4.996 0.716 -2.056 1.00 0.00 N ATOM 266 CA ALA A 16 5.373 0.312 -0.707 1.00 0.00 C ATOM 267 C ALA A 16 5.383 -1.207 -0.591 1.00 0.00 C ATOM 268 O ALA A 16 4.493 -1.880 -1.106 1.00 0.00 O ATOM 269 CB ALA A 16 4.419 0.919 0.313 1.00 0.00 C ATOM 0 H ALA A 16 4.052 0.442 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 16 6.378 0.680 -0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.713 0.609 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.456 2.006 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.404 0.577 0.110 1.00 0.00 H new ATOM 275 N ILE A 17 6.392 -1.742 0.084 1.00 0.00 N ATOM 276 CA ILE A 17 6.502 -3.187 0.254 1.00 0.00 C ATOM 277 C ILE A 17 7.245 -3.546 1.534 1.00 0.00 C ATOM 278 O ILE A 17 8.068 -2.775 2.028 1.00 0.00 O ATOM 279 CB ILE A 17 7.191 -3.855 -0.961 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.692 -3.528 -1.005 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.520 -3.414 -2.254 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.504 -4.549 -1.772 1.00 0.00 C ATOM 0 H ILE A 17 7.141 -1.204 0.520 1.00 0.00 H new ATOM 0 HA ILE A 17 5.484 -3.571 0.326 1.00 0.00 H new ATOM 0 HB ILE A 17 7.086 -4.935 -0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.830 -2.547 -1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.073 -3.462 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.014 -3.891 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.469 -3.704 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.596 -2.331 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.555 -4.258 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.395 -5.527 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.148 -4.598 -2.801 1.00 0.00 H new ATOM 294 N LYS A 18 6.938 -4.723 2.069 1.00 0.00 N ATOM 295 CA LYS A 18 7.562 -5.188 3.297 1.00 0.00 C ATOM 296 C LYS A 18 7.242 -6.663 3.539 1.00 0.00 C ATOM 297 O LYS A 18 6.132 -7.120 3.263 1.00 0.00 O ATOM 298 CB LYS A 18 7.081 -4.330 4.471 1.00 0.00 C ATOM 299 CG LYS A 18 7.314 -4.953 5.841 1.00 0.00 C ATOM 300 CD LYS A 18 7.926 -3.956 6.814 1.00 0.00 C ATOM 301 CE LYS A 18 9.401 -4.214 7.015 1.00 0.00 C ATOM 302 NZ LYS A 18 10.123 -2.995 7.481 1.00 0.00 N ATOM 0 H LYS A 18 6.260 -5.371 1.669 1.00 0.00 H new ATOM 0 HA LYS A 18 8.644 -5.092 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.588 -3.366 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.015 -4.135 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.368 -5.318 6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.972 -5.816 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.780 -2.943 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.411 -4.018 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.533 -5.014 7.743 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.840 -4.559 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.132 -3.216 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.019 -2.239 6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.722 -2.679 8.387 1.00 0.00 H new ATOM 316 N GLU A 19 8.219 -7.399 4.056 1.00 0.00 N ATOM 317 CA GLU A 19 8.041 -8.820 4.335 1.00 0.00 C ATOM 318 C GLU A 19 7.849 -9.060 5.830 1.00 0.00 C ATOM 319 O GLU A 19 8.776 -8.890 6.620 1.00 0.00 O ATOM 320 CB GLU A 19 9.238 -9.616 3.829 1.00 0.00 C ATOM 321 CG GLU A 19 9.383 -9.601 2.316 1.00 0.00 C ATOM 322 CD GLU A 19 10.748 -10.075 1.859 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.765 -9.452 2.257 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.815 -11.068 1.104 1.00 0.00 O ATOM 0 H GLU A 19 9.143 -7.036 4.291 1.00 0.00 H new ATOM 0 HA GLU A 19 7.146 -9.157 3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.147 -9.214 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.146 -10.648 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.615 -10.236 1.874 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.211 -8.590 1.948 1.00 0.00 H new ATOM 331 N ALA A 20 6.638 -9.453 6.212 1.00 0.00 N ATOM 332 CA ALA A 20 6.325 -9.716 7.611 1.00 0.00 C ATOM 333 C ALA A 20 5.782 -11.128 7.799 1.00 0.00 C ATOM 334 O ALA A 20 5.611 -11.871 6.833 1.00 0.00 O ATOM 335 CB ALA A 20 5.326 -8.691 8.129 1.00 0.00 C ATOM 0 H ALA A 20 5.857 -9.596 5.571 1.00 0.00 H new ATOM 0 HA ALA A 20 7.248 -9.632 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.101 -8.899 9.175 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.752 -7.691 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.409 -8.748 7.542 1.00 0.00 H new ATOM 341 N VAL A 21 5.517 -11.494 9.050 1.00 0.00 N ATOM 342 CA VAL A 21 4.995 -12.821 9.364 1.00 0.00 C ATOM 343 C VAL A 21 3.467 -12.832 9.405 1.00 0.00 C ATOM 344 O VAL A 21 2.863 -13.719 10.009 1.00 0.00 O ATOM 345 CB VAL A 21 5.531 -13.342 10.715 1.00 0.00 C ATOM 346 CG1 VAL A 21 5.371 -14.851 10.807 1.00 0.00 C ATOM 347 CG2 VAL A 21 6.988 -12.943 10.907 1.00 0.00 C ATOM 0 H VAL A 21 5.655 -10.892 9.862 1.00 0.00 H new ATOM 0 HA VAL A 21 5.338 -13.478 8.565 1.00 0.00 H new ATOM 0 HB VAL A 21 4.946 -12.886 11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.754 -15.200 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.316 -15.111 10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.928 -15.326 9.999 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.345 -13.320 11.865 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.590 -13.366 10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.073 -11.856 10.890 1.00 0.00 H new ATOM 357 N ASP A 22 2.844 -11.848 8.763 1.00 0.00 N ATOM 358 CA ASP A 22 1.389 -11.757 8.732 1.00 0.00 C ATOM 359 C ASP A 22 0.936 -10.596 7.851 1.00 0.00 C ATOM 360 O ASP A 22 1.722 -10.051 7.077 1.00 0.00 O ATOM 361 CB ASP A 22 0.839 -11.584 10.151 1.00 0.00 C ATOM 362 CG ASP A 22 -0.430 -12.380 10.379 1.00 0.00 C ATOM 363 OD1 ASP A 22 -0.438 -13.590 10.067 1.00 0.00 O ATOM 364 OD2 ASP A 22 -1.418 -11.795 10.872 1.00 0.00 O ATOM 0 H ASP A 22 3.324 -11.103 8.258 1.00 0.00 H new ATOM 0 HA ASP A 22 0.999 -12.683 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.595 -11.896 10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.640 -10.528 10.335 1.00 0.00 H new ATOM 369 N ALA A 23 -0.334 -10.220 7.971 1.00 0.00 N ATOM 370 CA ALA A 23 -0.883 -9.124 7.183 1.00 0.00 C ATOM 371 C ALA A 23 -1.145 -7.897 8.049 1.00 0.00 C ATOM 372 O ALA A 23 -0.972 -6.764 7.603 1.00 0.00 O ATOM 373 CB ALA A 23 -2.160 -9.557 6.485 1.00 0.00 C ATOM 0 H ALA A 23 -1.001 -10.659 8.606 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.144 -8.854 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.556 -8.726 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.946 -10.396 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.896 -9.861 7.229 1.00 0.00 H new ATOM 379 N GLY A 24 -1.559 -8.130 9.292 1.00 0.00 N ATOM 380 CA GLY A 24 -1.834 -7.030 10.199 1.00 0.00 C ATOM 381 C GLY A 24 -0.703 -6.020 10.230 1.00 0.00 C ATOM 382 O GLY A 24 -0.930 -4.824 10.423 1.00 0.00 O ATOM 0 H GLY A 24 -1.708 -9.059 9.686 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.755 -6.533 9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.998 -7.421 11.203 1.00 0.00 H new ATOM 386 N THR A 25 0.516 -6.506 10.024 1.00 0.00 N ATOM 387 CA THR A 25 1.691 -5.647 10.017 1.00 0.00 C ATOM 388 C THR A 25 1.827 -4.941 8.674 1.00 0.00 C ATOM 389 O THR A 25 2.378 -3.843 8.592 1.00 0.00 O ATOM 390 CB THR A 25 2.950 -6.466 10.306 1.00 0.00 C ATOM 391 OG1 THR A 25 2.673 -7.500 11.235 1.00 0.00 O ATOM 392 CG2 THR A 25 4.086 -5.638 10.867 1.00 0.00 C ATOM 0 H THR A 25 0.715 -7.493 9.859 1.00 0.00 H new ATOM 0 HA THR A 25 1.572 -4.896 10.798 1.00 0.00 H new ATOM 0 HB THR A 25 3.258 -6.872 9.343 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.490 -8.014 11.406 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.948 -6.279 11.049 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.357 -4.861 10.153 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.772 -5.177 11.803 1.00 0.00 H new ATOM 400 N ALA A 26 1.317 -5.574 7.619 1.00 0.00 N ATOM 401 CA ALA A 26 1.380 -4.998 6.283 1.00 0.00 C ATOM 402 C ALA A 26 0.343 -3.894 6.124 1.00 0.00 C ATOM 403 O ALA A 26 0.608 -2.863 5.504 1.00 0.00 O ATOM 404 CB ALA A 26 1.174 -6.078 5.231 1.00 0.00 C ATOM 0 H ALA A 26 0.857 -6.483 7.666 1.00 0.00 H new ATOM 0 HA ALA A 26 2.369 -4.561 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.224 -5.632 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.953 -6.834 5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.198 -6.542 5.372 1.00 0.00 H new ATOM 410 N GLU A 27 -0.839 -4.113 6.693 1.00 0.00 N ATOM 411 CA GLU A 27 -1.917 -3.135 6.621 1.00 0.00 C ATOM 412 C GLU A 27 -1.577 -1.902 7.450 1.00 0.00 C ATOM 413 O GLU A 27 -1.477 -0.794 6.922 1.00 0.00 O ATOM 414 CB GLU A 27 -3.227 -3.751 7.116 1.00 0.00 C ATOM 415 CG GLU A 27 -4.431 -2.839 6.944 1.00 0.00 C ATOM 416 CD GLU A 27 -5.713 -3.608 6.689 1.00 0.00 C ATOM 417 OE1 GLU A 27 -5.784 -4.319 5.666 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.644 -3.498 7.513 1.00 0.00 O ATOM 0 H GLU A 27 -1.074 -4.961 7.209 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.038 -2.834 5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.407 -4.682 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.123 -4.007 8.170 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.550 -2.228 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.250 -2.157 6.114 1.00 0.00 H new ATOM 425 N LYS A 28 -1.397 -2.100 8.754 1.00 0.00 N ATOM 426 CA LYS A 28 -1.065 -1.002 9.658 1.00 0.00 C ATOM 427 C LYS A 28 0.183 -0.256 9.189 1.00 0.00 C ATOM 428 O LYS A 28 0.286 0.960 9.350 1.00 0.00 O ATOM 429 CB LYS A 28 -0.857 -1.530 11.081 1.00 0.00 C ATOM 430 CG LYS A 28 -1.948 -1.108 12.051 1.00 0.00 C ATOM 431 CD LYS A 28 -1.797 -1.798 13.399 1.00 0.00 C ATOM 432 CE LYS A 28 -1.490 -0.803 14.506 1.00 0.00 C ATOM 433 NZ LYS A 28 -0.181 -0.126 14.297 1.00 0.00 N ATOM 0 H LYS A 28 -1.475 -3.010 9.208 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.900 -0.302 9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.809 -2.619 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.105 -1.178 11.453 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.915 -0.027 12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.924 -1.345 11.627 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.714 -2.337 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.998 -2.538 13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.282 -0.055 14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.483 -1.319 15.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.031 0.481 15.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.567 -0.841 14.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.225 0.456 13.436 1.00 0.00 H new ATOM 447 N TYR A 29 1.129 -0.985 8.602 1.00 0.00 N ATOM 448 CA TYR A 29 2.360 -0.375 8.107 1.00 0.00 C ATOM 449 C TYR A 29 2.094 0.358 6.797 1.00 0.00 C ATOM 450 O TYR A 29 2.558 1.482 6.598 1.00 0.00 O ATOM 451 CB TYR A 29 3.455 -1.430 7.909 1.00 0.00 C ATOM 452 CG TYR A 29 4.762 -0.862 7.401 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.883 -0.404 6.094 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.875 -0.784 8.228 1.00 0.00 C ATOM 455 CE1 TYR A 29 6.075 0.114 5.627 1.00 0.00 C ATOM 456 CE2 TYR A 29 7.072 -0.267 7.768 1.00 0.00 C ATOM 457 CZ TYR A 29 7.167 0.181 6.467 1.00 0.00 C ATOM 458 OH TYR A 29 8.355 0.697 6.007 1.00 0.00 O ATOM 0 H TYR A 29 1.068 -1.993 8.458 1.00 0.00 H new ATOM 0 HA TYR A 29 2.708 0.341 8.851 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.634 -1.938 8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.099 -2.183 7.206 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.031 -0.454 5.433 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.804 -1.133 9.248 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.152 0.465 4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.928 -0.214 8.424 1.00 0.00 H new ATOM 0 HH TYR A 29 9.022 0.673 6.725 1.00 0.00 H new ATOM 468 N PHE A 30 1.330 -0.278 5.915 1.00 0.00 N ATOM 469 CA PHE A 30 0.988 0.326 4.635 1.00 0.00 C ATOM 470 C PHE A 30 0.154 1.578 4.869 1.00 0.00 C ATOM 471 O PHE A 30 0.363 2.608 4.228 1.00 0.00 O ATOM 472 CB PHE A 30 0.221 -0.670 3.753 1.00 0.00 C ATOM 473 CG PHE A 30 1.100 -1.620 2.978 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.467 -1.690 3.213 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.550 -2.448 2.012 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.264 -2.566 2.500 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.344 -3.326 1.295 1.00 0.00 C ATOM 478 CZ PHE A 30 2.702 -3.384 1.541 1.00 0.00 C ATOM 0 H PHE A 30 0.938 -1.208 6.063 1.00 0.00 H new ATOM 0 HA PHE A 30 1.907 0.599 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.454 -1.250 4.383 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.399 -0.113 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.913 -1.052 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.511 -2.407 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.326 -2.610 2.693 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.903 -3.965 0.544 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.323 -4.069 0.983 1.00 0.00 H new ATOM 488 N LYS A 31 -0.783 1.481 5.805 1.00 0.00 N ATOM 489 CA LYS A 31 -1.644 2.604 6.144 1.00 0.00 C ATOM 490 C LYS A 31 -0.823 3.794 6.643 1.00 0.00 C ATOM 491 O LYS A 31 -1.147 4.946 6.352 1.00 0.00 O ATOM 492 CB LYS A 31 -2.662 2.185 7.209 1.00 0.00 C ATOM 493 CG LYS A 31 -3.947 2.995 7.177 1.00 0.00 C ATOM 494 CD LYS A 31 -3.805 4.296 7.951 1.00 0.00 C ATOM 495 CE LYS A 31 -4.347 4.164 9.365 1.00 0.00 C ATOM 496 NZ LYS A 31 -4.340 5.468 10.086 1.00 0.00 N ATOM 0 H LYS A 31 -0.965 0.634 6.343 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.174 2.910 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.904 1.131 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.205 2.283 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.215 3.213 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.760 2.406 7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.755 4.586 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.337 5.091 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.364 3.774 9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.748 3.440 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.717 5.336 11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.366 5.828 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.932 6.152 9.573 1.00 0.00 H new ATOM 510 N LEU A 32 0.238 3.513 7.399 1.00 0.00 N ATOM 511 CA LEU A 32 1.096 4.563 7.936 1.00 0.00 C ATOM 512 C LEU A 32 1.819 5.311 6.820 1.00 0.00 C ATOM 513 O LEU A 32 1.993 6.529 6.890 1.00 0.00 O ATOM 514 CB LEU A 32 2.111 3.962 8.912 1.00 0.00 C ATOM 515 CG LEU A 32 1.539 3.452 10.246 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.207 4.162 11.409 1.00 0.00 C ATOM 517 CD2 LEU A 32 0.027 3.635 10.318 1.00 0.00 C ATOM 0 H LEU A 32 0.522 2.567 7.652 1.00 0.00 H new ATOM 0 HA LEU A 32 0.466 5.277 8.467 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.617 3.134 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.869 4.715 9.128 1.00 0.00 H new ATOM 0 HG LEU A 32 1.748 2.384 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.793 3.792 12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.280 3.970 11.385 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.028 5.234 11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.339 3.263 11.275 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.216 4.693 10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.446 3.080 9.508 1.00 0.00 H new ATOM 529 N ILE A 33 2.236 4.581 5.786 1.00 0.00 N ATOM 530 CA ILE A 33 2.937 5.190 4.662 1.00 0.00 C ATOM 531 C ILE A 33 1.954 5.859 3.707 1.00 0.00 C ATOM 532 O ILE A 33 2.274 6.864 3.074 1.00 0.00 O ATOM 533 CB ILE A 33 3.781 4.155 3.889 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.600 4.841 2.795 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.891 3.073 3.295 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.769 5.642 3.328 1.00 0.00 C ATOM 0 H ILE A 33 2.101 3.573 5.706 1.00 0.00 H new ATOM 0 HA ILE A 33 3.608 5.943 5.075 1.00 0.00 H new ATOM 0 HB ILE A 33 4.471 3.683 4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.973 4.085 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.948 5.501 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.505 2.353 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.354 2.563 4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.175 3.527 2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.305 6.101 2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.402 6.420 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.443 4.982 3.874 1.00 0.00 H new ATOM 548 N ALA A 34 0.753 5.296 3.616 1.00 0.00 N ATOM 549 CA ALA A 34 -0.279 5.842 2.747 1.00 0.00 C ATOM 550 C ALA A 34 -0.831 7.142 3.316 1.00 0.00 C ATOM 551 O ALA A 34 -0.743 8.195 2.685 1.00 0.00 O ATOM 552 CB ALA A 34 -1.398 4.829 2.554 1.00 0.00 C ATOM 0 H ALA A 34 0.473 4.463 4.133 1.00 0.00 H new ATOM 0 HA ALA A 34 0.168 6.057 1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.163 5.251 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.995 3.923 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.839 4.586 3.521 1.00 0.00 H new ATOM 558 N ASN A 35 -1.397 7.061 4.515 1.00 0.00 N ATOM 559 CA ASN A 35 -1.963 8.231 5.177 1.00 0.00 C ATOM 560 C ASN A 35 -0.921 9.341 5.316 1.00 0.00 C ATOM 561 O ASN A 35 -1.246 10.524 5.215 1.00 0.00 O ATOM 562 CB ASN A 35 -2.511 7.849 6.555 1.00 0.00 C ATOM 563 CG ASN A 35 -3.922 8.360 6.784 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.739 7.692 7.419 1.00 0.00 O ATOM 565 ND2 ASN A 35 -4.221 9.549 6.268 1.00 0.00 N ATOM 0 H ASN A 35 -1.476 6.196 5.049 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.780 8.605 4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.500 6.764 6.658 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.854 8.249 7.327 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.156 9.938 6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.516 10.071 5.748 1.00 0.00 H new ATOM 572 N ALA A 36 0.331 8.953 5.551 1.00 0.00 N ATOM 573 CA ALA A 36 1.412 9.919 5.703 1.00 0.00 C ATOM 574 C ALA A 36 1.806 10.521 4.358 1.00 0.00 C ATOM 575 O ALA A 36 2.242 11.670 4.285 1.00 0.00 O ATOM 576 CB ALA A 36 2.616 9.263 6.363 1.00 0.00 C ATOM 0 H ALA A 36 0.619 7.979 5.640 1.00 0.00 H new ATOM 0 HA ALA A 36 1.056 10.727 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.416 9.995 6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.333 8.888 7.347 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.963 8.435 5.745 1.00 0.00 H new ATOM 582 N LYS A 37 1.653 9.736 3.296 1.00 0.00 N ATOM 583 CA LYS A 37 1.995 10.195 1.952 1.00 0.00 C ATOM 584 C LYS A 37 0.836 10.961 1.324 1.00 0.00 C ATOM 585 O LYS A 37 1.044 11.894 0.559 1.00 0.00 O ATOM 586 CB LYS A 37 2.375 9.006 1.067 1.00 0.00 C ATOM 587 CG LYS A 37 3.830 8.586 1.203 1.00 0.00 C ATOM 588 CD LYS A 37 4.512 8.466 -0.157 1.00 0.00 C ATOM 589 CE LYS A 37 5.023 9.807 -0.682 1.00 0.00 C ATOM 590 NZ LYS A 37 4.324 10.971 -0.068 1.00 0.00 N ATOM 0 H LYS A 37 1.296 8.782 3.338 1.00 0.00 H new ATOM 0 HA LYS A 37 2.848 10.869 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.736 8.159 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.175 9.260 0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.363 9.314 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.886 7.630 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.347 7.769 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.809 8.044 -0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.092 9.886 -0.485 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.895 9.841 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.637 11.848 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.297 10.863 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.550 11.016 0.946 1.00 0.00 H new ATOM 604 N THR A 38 -0.386 10.554 1.651 1.00 0.00 N ATOM 605 CA THR A 38 -1.577 11.203 1.118 1.00 0.00 C ATOM 606 C THR A 38 -2.838 10.672 1.795 1.00 0.00 C ATOM 607 O THR A 38 -2.763 9.854 2.712 1.00 0.00 O ATOM 608 CB THR A 38 -1.668 10.978 -0.391 1.00 0.00 C ATOM 609 OG1 THR A 38 -1.011 9.786 -0.768 1.00 0.00 O ATOM 610 CG2 THR A 38 -1.054 12.108 -1.196 1.00 0.00 C ATOM 0 H THR A 38 -0.577 9.777 2.283 1.00 0.00 H new ATOM 0 HA THR A 38 -1.499 12.271 1.320 1.00 0.00 H new ATOM 0 HB THR A 38 -2.735 10.923 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.340 9.494 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.149 11.890 -2.260 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.572 13.040 -0.968 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.001 12.207 -0.939 1.00 0.00 H new ATOM 618 N VAL A 39 -3.993 11.143 1.338 1.00 0.00 N ATOM 619 CA VAL A 39 -5.268 10.717 1.899 1.00 0.00 C ATOM 620 C VAL A 39 -6.378 10.789 0.852 1.00 0.00 C ATOM 621 O VAL A 39 -7.405 11.437 1.061 1.00 0.00 O ATOM 622 CB VAL A 39 -5.659 11.575 3.119 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.820 13.033 2.718 1.00 0.00 C ATOM 624 CG2 VAL A 39 -6.935 11.045 3.761 1.00 0.00 C ATOM 0 H VAL A 39 -4.072 11.821 0.580 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.147 9.683 2.221 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.858 11.512 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.096 13.622 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.879 13.405 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.600 13.118 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.194 11.664 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.747 11.074 3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.778 10.017 4.088 1.00 0.00 H new ATOM 634 N GLU A 40 -6.163 10.118 -0.273 1.00 0.00 N ATOM 635 CA GLU A 40 -7.143 10.104 -1.353 1.00 0.00 C ATOM 636 C GLU A 40 -6.823 9.004 -2.360 1.00 0.00 C ATOM 637 O GLU A 40 -5.774 9.027 -3.004 1.00 0.00 O ATOM 638 CB GLU A 40 -7.179 11.457 -2.054 1.00 0.00 C ATOM 639 CG GLU A 40 -8.417 12.282 -1.735 1.00 0.00 C ATOM 640 CD GLU A 40 -8.378 13.661 -2.349 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.839 13.801 -3.470 1.00 0.00 O ATOM 642 OE2 GLU A 40 -8.886 14.606 -1.713 1.00 0.00 O ATOM 0 H GLU A 40 -5.319 9.577 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.123 9.903 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.293 12.025 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.127 11.299 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.301 11.755 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.518 12.374 -0.654 1.00 0.00 H new ATOM 649 N GLY A 41 -7.729 8.043 -2.489 1.00 0.00 N ATOM 650 CA GLY A 41 -7.518 6.949 -3.420 1.00 0.00 C ATOM 651 C GLY A 41 -8.483 5.801 -3.199 1.00 0.00 C ATOM 652 O GLY A 41 -9.225 5.785 -2.216 1.00 0.00 O ATOM 0 H GLY A 41 -8.604 8.001 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.626 7.319 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.496 6.584 -3.320 1.00 0.00 H new ATOM 656 N VAL A 42 -8.464 4.833 -4.108 1.00 0.00 N ATOM 657 CA VAL A 42 -9.332 3.671 -4.003 1.00 0.00 C ATOM 658 C VAL A 42 -8.547 2.468 -3.504 1.00 0.00 C ATOM 659 O VAL A 42 -7.678 1.941 -4.198 1.00 0.00 O ATOM 660 CB VAL A 42 -10.007 3.327 -5.348 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.954 4.440 -5.767 1.00 0.00 C ATOM 662 CG2 VAL A 42 -8.968 3.068 -6.430 1.00 0.00 C ATOM 0 H VAL A 42 -7.855 4.832 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.117 3.920 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.586 2.413 -5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.421 4.182 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.724 4.568 -5.006 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.396 5.370 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.471 2.828 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.354 3.958 -6.565 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.335 2.232 -6.134 1.00 0.00 H new ATOM 672 N TRP A 43 -8.858 2.063 -2.281 1.00 0.00 N ATOM 673 CA TRP A 43 -8.202 0.951 -1.634 1.00 0.00 C ATOM 674 C TRP A 43 -8.616 -0.382 -2.256 1.00 0.00 C ATOM 675 O TRP A 43 -9.723 -0.868 -2.026 1.00 0.00 O ATOM 676 CB TRP A 43 -8.581 0.981 -0.157 1.00 0.00 C ATOM 677 CG TRP A 43 -7.578 1.694 0.713 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.475 3.050 0.892 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.540 1.107 1.521 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.450 3.337 1.755 1.00 0.00 N ATOM 681 CE2 TRP A 43 -5.862 2.168 2.156 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.117 -0.208 1.776 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -4.792 1.966 3.019 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.034 -0.406 2.652 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.395 0.681 3.256 1.00 0.00 C ATOM 0 H TRP A 43 -9.579 2.505 -1.711 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.123 1.043 -1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.551 1.466 -0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.696 -0.042 0.200 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.110 3.785 0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.170 4.272 2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.612 -1.048 1.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.290 2.799 3.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.692 -1.409 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.568 0.500 3.926 1.00 0.00 H new ATOM 696 N THR A 44 -7.713 -0.974 -3.029 1.00 0.00 N ATOM 697 CA THR A 44 -7.975 -2.258 -3.671 1.00 0.00 C ATOM 698 C THR A 44 -6.912 -3.271 -3.264 1.00 0.00 C ATOM 699 O THR A 44 -5.804 -2.892 -2.897 1.00 0.00 O ATOM 700 CB THR A 44 -7.998 -2.101 -5.193 1.00 0.00 C ATOM 701 OG1 THR A 44 -6.886 -1.340 -5.636 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.250 -1.424 -5.706 1.00 0.00 C ATOM 0 H THR A 44 -6.791 -0.585 -3.227 1.00 0.00 H new ATOM 0 HA THR A 44 -8.951 -2.618 -3.345 1.00 0.00 H new ATOM 0 HB THR A 44 -7.965 -3.116 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.918 -1.252 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.202 -1.344 -6.792 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.123 -2.012 -5.424 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.328 -0.427 -5.272 1.00 0.00 H new ATOM 710 N TYR A 45 -7.246 -4.556 -3.329 1.00 0.00 N ATOM 711 CA TYR A 45 -6.289 -5.597 -2.959 1.00 0.00 C ATOM 712 C TYR A 45 -6.421 -6.827 -3.854 1.00 0.00 C ATOM 713 O TYR A 45 -7.522 -7.210 -4.250 1.00 0.00 O ATOM 714 CB TYR A 45 -6.444 -5.982 -1.475 1.00 0.00 C ATOM 715 CG TYR A 45 -6.209 -7.451 -1.182 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.230 -8.380 -1.332 1.00 0.00 C ATOM 717 CD2 TYR A 45 -4.968 -7.905 -0.754 1.00 0.00 C ATOM 718 CE1 TYR A 45 -7.022 -9.719 -1.067 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.751 -9.243 -0.486 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.781 -10.146 -0.644 1.00 0.00 C ATOM 721 OH TYR A 45 -5.569 -11.480 -0.378 1.00 0.00 O ATOM 0 H TYR A 45 -8.158 -4.900 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.289 -5.189 -3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.746 -5.390 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.448 -5.714 -1.146 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.204 -8.049 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.159 -7.200 -0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.827 -10.428 -1.190 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.780 -9.580 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.957 -12.022 -1.096 1.00 0.00 H new ATOM 731 N LYS A 46 -5.282 -7.440 -4.154 1.00 0.00 N ATOM 732 CA LYS A 46 -5.240 -8.635 -4.987 1.00 0.00 C ATOM 733 C LYS A 46 -4.745 -9.828 -4.175 1.00 0.00 C ATOM 734 O LYS A 46 -3.894 -9.679 -3.294 1.00 0.00 O ATOM 735 CB LYS A 46 -4.332 -8.410 -6.198 1.00 0.00 C ATOM 736 CG LYS A 46 -4.452 -7.018 -6.800 1.00 0.00 C ATOM 737 CD LYS A 46 -4.439 -7.062 -8.319 1.00 0.00 C ATOM 738 CE LYS A 46 -3.023 -7.147 -8.856 1.00 0.00 C ATOM 739 NZ LYS A 46 -2.391 -5.805 -8.981 1.00 0.00 N ATOM 0 H LYS A 46 -4.368 -7.125 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.249 -8.845 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.297 -8.581 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.571 -9.149 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.375 -6.551 -6.457 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.630 -6.396 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.014 -7.921 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.927 -6.172 -8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.422 -7.770 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.034 -7.635 -9.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.425 -5.909 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.950 -5.217 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.356 -5.349 -8.047 1.00 0.00 H new ATOM 753 N ASP A 47 -5.285 -11.008 -4.462 1.00 0.00 N ATOM 754 CA ASP A 47 -4.901 -12.220 -3.744 1.00 0.00 C ATOM 755 C ASP A 47 -3.818 -13.005 -4.486 1.00 0.00 C ATOM 756 O ASP A 47 -3.263 -13.963 -3.947 1.00 0.00 O ATOM 757 CB ASP A 47 -6.126 -13.111 -3.524 1.00 0.00 C ATOM 758 CG ASP A 47 -5.831 -14.283 -2.610 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.743 -14.073 -1.382 1.00 0.00 O ATOM 760 OD2 ASP A 47 -5.687 -15.414 -3.122 1.00 0.00 O ATOM 0 H ASP A 47 -5.989 -11.152 -5.186 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.491 -11.914 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.933 -12.515 -3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.478 -13.484 -4.486 1.00 0.00 H new ATOM 765 N GLU A 48 -3.521 -12.606 -5.719 1.00 0.00 N ATOM 766 CA GLU A 48 -2.502 -13.296 -6.505 1.00 0.00 C ATOM 767 C GLU A 48 -1.153 -13.300 -5.786 1.00 0.00 C ATOM 768 O GLU A 48 -0.385 -14.258 -5.913 1.00 0.00 O ATOM 769 CB GLU A 48 -2.333 -12.671 -7.910 1.00 0.00 C ATOM 770 CG GLU A 48 -3.630 -12.445 -8.690 1.00 0.00 C ATOM 771 CD GLU A 48 -4.311 -11.140 -8.344 1.00 0.00 C ATOM 772 OE1 GLU A 48 -3.874 -10.085 -8.849 1.00 0.00 O ATOM 773 OE2 GLU A 48 -5.281 -11.170 -7.558 1.00 0.00 O ATOM 0 H GLU A 48 -3.965 -11.818 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.847 -14.323 -6.623 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.822 -11.714 -7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.682 -13.316 -8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.412 -12.462 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.315 -13.269 -8.491 1.00 0.00 H new ATOM 780 N ILE A 49 -0.859 -12.240 -5.049 1.00 0.00 N ATOM 781 CA ILE A 49 0.406 -12.149 -4.326 1.00 0.00 C ATOM 782 C ILE A 49 0.325 -11.158 -3.167 1.00 0.00 C ATOM 783 O ILE A 49 1.312 -10.501 -2.834 1.00 0.00 O ATOM 784 CB ILE A 49 1.558 -11.733 -5.261 1.00 0.00 C ATOM 785 CG1 ILE A 49 1.143 -10.540 -6.126 1.00 0.00 C ATOM 786 CG2 ILE A 49 1.984 -12.904 -6.125 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.095 -9.368 -6.034 1.00 0.00 C ATOM 0 H ILE A 49 -1.473 -11.434 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 49 0.606 -13.144 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 49 2.409 -11.430 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.074 -10.861 -7.165 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.147 -10.213 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.798 -12.595 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.321 -13.722 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 49 1.139 -13.237 -6.728 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.739 -8.559 -6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.146 -9.021 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.087 -9.679 -6.361 1.00 0.00 H new ATOM 799 N LYS A 50 -0.850 -11.057 -2.553 1.00 0.00 N ATOM 800 CA LYS A 50 -1.050 -10.147 -1.426 1.00 0.00 C ATOM 801 C LYS A 50 -0.521 -8.750 -1.743 1.00 0.00 C ATOM 802 O LYS A 50 0.638 -8.434 -1.464 1.00 0.00 O ATOM 803 CB LYS A 50 -0.360 -10.694 -0.176 1.00 0.00 C ATOM 804 CG LYS A 50 -0.698 -12.147 0.120 1.00 0.00 C ATOM 805 CD LYS A 50 -1.507 -12.286 1.400 1.00 0.00 C ATOM 806 CE LYS A 50 -2.596 -13.337 1.261 1.00 0.00 C ATOM 807 NZ LYS A 50 -3.726 -13.092 2.201 1.00 0.00 N ATOM 0 H LYS A 50 -1.678 -11.592 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.122 -10.072 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.719 -10.598 -0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.642 -10.082 0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.261 -12.567 -0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.222 -12.725 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.844 -12.554 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.957 -11.326 1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.969 -13.340 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.174 -14.324 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.448 -13.830 2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.375 -13.114 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.145 -12.161 2.005 1.00 0.00 H new ATOM 821 N THR A 51 -1.374 -7.918 -2.328 1.00 0.00 N ATOM 822 CA THR A 51 -0.987 -6.559 -2.683 1.00 0.00 C ATOM 823 C THR A 51 -2.194 -5.627 -2.719 1.00 0.00 C ATOM 824 O THR A 51 -3.228 -5.954 -3.300 1.00 0.00 O ATOM 825 CB THR A 51 -0.277 -6.551 -4.040 1.00 0.00 C ATOM 826 OG1 THR A 51 0.894 -7.348 -3.997 1.00 0.00 O ATOM 827 CG2 THR A 51 0.127 -5.168 -4.505 1.00 0.00 C ATOM 0 H THR A 51 -2.336 -8.160 -2.566 1.00 0.00 H new ATOM 0 HA THR A 51 -0.304 -6.194 -1.916 1.00 0.00 H new ATOM 0 HB THR A 51 -1.006 -6.951 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.491 -7.092 -4.731 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.624 -5.240 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.760 -4.542 -4.599 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.809 -4.725 -3.779 1.00 0.00 H new ATOM 835 N PHE A 52 -2.044 -4.462 -2.097 1.00 0.00 N ATOM 836 CA PHE A 52 -3.111 -3.469 -2.057 1.00 0.00 C ATOM 837 C PHE A 52 -2.749 -2.260 -2.911 1.00 0.00 C ATOM 838 O PHE A 52 -1.583 -2.050 -3.236 1.00 0.00 O ATOM 839 CB PHE A 52 -3.384 -3.026 -0.615 1.00 0.00 C ATOM 840 CG PHE A 52 -3.216 -4.120 0.403 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.953 -4.569 0.755 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.321 -4.698 1.007 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.795 -5.574 1.691 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.170 -5.703 1.943 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.905 -6.142 2.285 1.00 0.00 C ATOM 0 H PHE A 52 -1.191 -4.182 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.014 -3.927 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.713 -2.205 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.400 -2.637 -0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.082 -4.129 0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.312 -4.359 0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.805 -5.914 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.039 -6.145 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.785 -6.928 3.016 1.00 0.00 H new ATOM 855 N THR A 53 -3.747 -1.465 -3.277 1.00 0.00 N ATOM 856 CA THR A 53 -3.506 -0.282 -4.092 1.00 0.00 C ATOM 857 C THR A 53 -4.478 0.840 -3.733 1.00 0.00 C ATOM 858 O THR A 53 -5.597 0.590 -3.289 1.00 0.00 O ATOM 859 CB THR A 53 -3.623 -0.630 -5.583 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.621 -1.559 -5.958 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.511 0.567 -6.517 1.00 0.00 C ATOM 0 H THR A 53 -4.724 -1.616 -3.025 1.00 0.00 H new ATOM 0 HA THR A 53 -2.494 0.068 -3.889 1.00 0.00 H new ATOM 0 HB THR A 53 -4.624 -1.047 -5.691 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.711 -1.771 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.604 0.232 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.305 1.279 -6.293 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.543 1.048 -6.377 1.00 0.00 H new ATOM 869 N VAL A 54 -4.041 2.076 -3.947 1.00 0.00 N ATOM 870 CA VAL A 54 -4.868 3.244 -3.666 1.00 0.00 C ATOM 871 C VAL A 54 -4.785 4.238 -4.827 1.00 0.00 C ATOM 872 O VAL A 54 -3.801 4.962 -4.981 1.00 0.00 O ATOM 873 CB VAL A 54 -4.470 3.913 -2.319 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.482 5.060 -2.499 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.713 4.395 -1.590 1.00 0.00 C ATOM 0 H VAL A 54 -3.116 2.296 -4.315 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.902 2.915 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.965 3.154 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.241 5.488 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.571 4.686 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.927 5.827 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.424 4.862 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.239 5.122 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.368 3.548 -1.389 1.00 0.00 H new ATOM 885 N THR A 55 -5.816 4.246 -5.665 1.00 0.00 N ATOM 886 CA THR A 55 -5.844 5.134 -6.825 1.00 0.00 C ATOM 887 C THR A 55 -6.813 6.295 -6.618 1.00 0.00 C ATOM 888 O THR A 55 -7.982 6.092 -6.288 1.00 0.00 O ATOM 889 CB THR A 55 -6.234 4.352 -8.081 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.751 3.023 -8.014 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.705 4.969 -9.357 1.00 0.00 C ATOM 0 H THR A 55 -6.639 3.652 -5.565 1.00 0.00 H new ATOM 0 HA THR A 55 -4.843 5.546 -6.950 1.00 0.00 H new ATOM 0 HB THR A 55 -7.323 4.375 -8.110 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.012 2.539 -8.825 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.017 4.366 -10.209 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.100 5.979 -9.463 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.616 5.007 -9.319 1.00 0.00 H new ATOM 899 N GLU A 56 -6.317 7.513 -6.819 1.00 0.00 N ATOM 900 CA GLU A 56 -7.138 8.708 -6.659 1.00 0.00 C ATOM 901 C GLU A 56 -7.740 9.138 -7.992 1.00 0.00 C ATOM 902 O GLU A 56 -7.086 8.919 -9.033 1.00 0.00 O ATOM 903 CB GLU A 56 -6.309 9.846 -6.068 1.00 0.00 C ATOM 904 CG GLU A 56 -7.124 11.089 -5.746 1.00 0.00 C ATOM 905 CD GLU A 56 -7.405 11.937 -6.974 1.00 0.00 C ATOM 906 OE1 GLU A 56 -6.473 12.142 -7.775 1.00 0.00 O ATOM 907 OE2 GLU A 56 -8.560 12.382 -7.128 1.00 0.00 O ATOM 908 OXT GLU A 56 -8.861 9.689 -7.985 1.00 0.00 O ATOM 0 H GLU A 56 -5.352 7.698 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.952 8.470 -5.975 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.822 9.495 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.519 10.112 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.069 10.792 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.589 11.689 -5.009 1.00 0.00 H new TER 915 GLU A 56