USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=13 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 149:sc= -0.714 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 1 THR OG1 : rot 180:sc= -0.492 USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 1 THR N :NH3+ -161:sc= -0.14 (180deg=-0.728) USER MOD Single : A 3 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.9!) 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 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 106:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.57 K(o=-1.6,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -0.515 (180deg=-1.57) USER MOD Single : A 38 THR OG1 : rot 121:sc= 0.00076 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -160:sc= -1.64! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 3.696 -13.272 3.956 1.00 0.00 N ATOM 2 CA THR A 1 5.171 -13.328 3.776 1.00 0.00 C ATOM 3 C THR A 1 5.713 -12.005 3.245 1.00 0.00 C ATOM 4 O THR A 1 6.564 -11.375 3.873 1.00 0.00 O ATOM 5 CB THR A 1 5.500 -14.462 2.803 1.00 0.00 C ATOM 6 OG1 THR A 1 5.136 -14.109 1.480 1.00 0.00 O ATOM 7 CG2 THR A 1 4.800 -15.762 3.140 1.00 0.00 C ATOM 0 H1 THR A 1 3.396 -14.031 4.600 1.00 0.00 H new ATOM 0 H2 THR A 1 3.430 -12.351 4.359 1.00 0.00 H new ATOM 0 H3 THR A 1 3.229 -13.394 3.035 1.00 0.00 H new ATOM 0 HA THR A 1 5.643 -13.511 4.741 1.00 0.00 H new ATOM 0 HB THR A 1 6.576 -14.614 2.890 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.356 -14.846 0.873 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.077 -16.524 2.411 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.098 -16.088 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 1 3.721 -15.611 3.115 1.00 0.00 H new ATOM 17 N THR A 2 5.212 -11.586 2.087 1.00 0.00 N ATOM 18 CA THR A 2 5.645 -10.336 1.474 1.00 0.00 C ATOM 19 C THR A 2 4.464 -9.594 0.858 1.00 0.00 C ATOM 20 O THR A 2 3.857 -10.063 -0.105 1.00 0.00 O ATOM 21 CB THR A 2 6.703 -10.608 0.404 1.00 0.00 C ATOM 22 OG1 THR A 2 7.669 -11.530 0.877 1.00 0.00 O ATOM 23 CG2 THR A 2 7.438 -9.361 -0.041 1.00 0.00 C ATOM 0 H THR A 2 4.506 -12.094 1.555 1.00 0.00 H new ATOM 0 HA THR A 2 6.078 -9.710 2.254 1.00 0.00 H new ATOM 0 HB THR A 2 6.156 -11.012 -0.448 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.336 -11.692 0.178 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.174 -9.624 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.726 -8.648 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.944 -8.912 0.814 1.00 0.00 H new ATOM 31 N TYR A 3 4.141 -8.435 1.421 1.00 0.00 N ATOM 32 CA TYR A 3 3.031 -7.629 0.927 1.00 0.00 C ATOM 33 C TYR A 3 3.540 -6.424 0.142 1.00 0.00 C ATOM 34 O TYR A 3 4.612 -5.892 0.426 1.00 0.00 O ATOM 35 CB TYR A 3 2.156 -7.160 2.092 1.00 0.00 C ATOM 36 CG TYR A 3 1.664 -8.286 2.973 1.00 0.00 C ATOM 37 CD1 TYR A 3 2.500 -8.874 3.912 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.362 -8.759 2.865 1.00 0.00 C ATOM 39 CE1 TYR A 3 2.055 -9.902 4.721 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.091 -9.787 3.670 1.00 0.00 C ATOM 41 CZ TYR A 3 0.758 -10.355 4.595 1.00 0.00 C ATOM 42 OH TYR A 3 0.312 -11.379 5.398 1.00 0.00 O ATOM 0 H TYR A 3 4.632 -8.033 2.220 1.00 0.00 H new ATOM 0 HA TYR A 3 2.434 -8.249 0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.723 -6.456 2.700 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.297 -6.619 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.516 -8.522 4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.306 -8.317 2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.718 -10.348 5.447 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.106 -10.144 3.575 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.623 -11.578 5.185 1.00 0.00 H new ATOM 52 N LYS A 4 2.761 -6.001 -0.850 1.00 0.00 N ATOM 53 CA LYS A 4 3.132 -4.859 -1.679 1.00 0.00 C ATOM 54 C LYS A 4 1.984 -3.864 -1.776 1.00 0.00 C ATOM 55 O LYS A 4 0.814 -4.241 -1.718 1.00 0.00 O ATOM 56 CB LYS A 4 3.542 -5.326 -3.077 1.00 0.00 C ATOM 57 CG LYS A 4 4.854 -6.095 -3.100 1.00 0.00 C ATOM 58 CD LYS A 4 4.752 -7.350 -3.952 1.00 0.00 C ATOM 59 CE LYS A 4 5.512 -8.509 -3.329 1.00 0.00 C ATOM 60 NZ LYS A 4 6.942 -8.522 -3.743 1.00 0.00 N ATOM 0 H LYS A 4 1.870 -6.431 -1.099 1.00 0.00 H new ATOM 0 HA LYS A 4 3.981 -4.361 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.753 -5.957 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.627 -4.458 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.645 -5.454 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.135 -6.367 -2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.704 -7.624 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.147 -7.148 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.449 -8.442 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.042 -9.449 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.425 -9.328 -3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.003 -8.611 -4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.398 -7.636 -3.445 1.00 0.00 H new ATOM 74 N LEU A 5 2.331 -2.591 -1.913 1.00 0.00 N ATOM 75 CA LEU A 5 1.335 -1.537 -2.005 1.00 0.00 C ATOM 76 C LEU A 5 1.648 -0.585 -3.159 1.00 0.00 C ATOM 77 O LEU A 5 2.766 -0.085 -3.281 1.00 0.00 O ATOM 78 CB LEU A 5 1.273 -0.774 -0.680 1.00 0.00 C ATOM 79 CG LEU A 5 0.708 0.650 -0.760 1.00 0.00 C ATOM 80 CD1 LEU A 5 -0.609 0.662 -1.527 1.00 0.00 C ATOM 81 CD2 LEU A 5 0.518 1.229 0.635 1.00 0.00 C ATOM 0 H LEU A 5 3.296 -2.265 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 5 0.364 -1.990 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.666 -1.347 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.279 -0.724 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 5 1.424 1.273 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.994 1.681 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.444 0.290 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.332 0.024 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.117 2.239 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.177 0.604 1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.478 1.258 1.151 1.00 0.00 H new ATOM 93 N ILE A 6 0.647 -0.336 -3.999 1.00 0.00 N ATOM 94 CA ILE A 6 0.807 0.559 -5.138 1.00 0.00 C ATOM 95 C ILE A 6 0.132 1.900 -4.870 1.00 0.00 C ATOM 96 O ILE A 6 -1.093 1.987 -4.788 1.00 0.00 O ATOM 97 CB ILE A 6 0.234 -0.062 -6.429 1.00 0.00 C ATOM 98 CG1 ILE A 6 0.966 -1.364 -6.761 1.00 0.00 C ATOM 99 CG2 ILE A 6 0.341 0.916 -7.591 1.00 0.00 C ATOM 100 CD1 ILE A 6 0.643 -2.499 -5.813 1.00 0.00 C ATOM 0 H ILE A 6 -0.284 -0.743 -3.911 1.00 0.00 H new ATOM 0 HA ILE A 6 1.876 0.718 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.820 -0.284 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.710 -1.666 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.040 -1.182 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.069 0.458 -8.491 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.219 1.821 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.388 1.170 -7.758 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.197 -3.389 -6.109 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.925 -2.217 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.426 -2.709 -5.848 1.00 0.00 H new ATOM 112 N LEU A 7 0.942 2.945 -4.729 1.00 0.00 N ATOM 113 CA LEU A 7 0.428 4.283 -4.465 1.00 0.00 C ATOM 114 C LEU A 7 0.295 5.084 -5.755 1.00 0.00 C ATOM 115 O LEU A 7 1.247 5.199 -6.527 1.00 0.00 O ATOM 116 CB LEU A 7 1.347 5.020 -3.490 1.00 0.00 C ATOM 117 CG LEU A 7 1.530 4.340 -2.132 1.00 0.00 C ATOM 118 CD1 LEU A 7 2.854 4.748 -1.506 1.00 0.00 C ATOM 119 CD2 LEU A 7 0.372 4.680 -1.207 1.00 0.00 C ATOM 0 H LEU A 7 1.958 2.890 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.562 4.181 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.326 5.137 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.950 6.022 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 7 1.542 3.261 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.967 4.255 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.673 4.453 -2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.872 5.829 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.518 4.188 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.329 5.759 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.562 4.337 -1.652 1.00 0.00 H new ATOM 131 N ASN A 8 -0.891 5.640 -5.982 1.00 0.00 N ATOM 132 CA ASN A 8 -1.144 6.434 -7.178 1.00 0.00 C ATOM 133 C ASN A 8 -1.708 7.802 -6.810 1.00 0.00 C ATOM 134 O ASN A 8 -2.894 7.938 -6.511 1.00 0.00 O ATOM 135 CB ASN A 8 -2.113 5.704 -8.110 1.00 0.00 C ATOM 136 CG ASN A 8 -1.982 6.176 -9.556 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.165 7.040 -9.846 1.00 0.00 O ATOM 138 ND2 ASN A 8 -2.778 5.615 -10.476 1.00 0.00 N ATOM 0 H ASN A 8 -1.690 5.555 -5.354 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.195 6.577 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.925 4.632 -8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.135 5.864 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.714 5.906 -11.452 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.448 4.897 -10.201 1.00 0.00 H new ATOM 145 N LEU A 9 -0.848 8.812 -6.836 1.00 0.00 N ATOM 146 CA LEU A 9 -1.253 10.171 -6.509 1.00 0.00 C ATOM 147 C LEU A 9 -1.133 11.074 -7.729 1.00 0.00 C ATOM 148 O LEU A 9 -0.721 10.635 -8.804 1.00 0.00 O ATOM 149 CB LEU A 9 -0.395 10.726 -5.368 1.00 0.00 C ATOM 150 CG LEU A 9 1.101 10.839 -5.678 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.569 12.271 -5.533 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.907 9.922 -4.769 1.00 0.00 C ATOM 0 H LEU A 9 0.137 8.714 -7.081 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.295 10.146 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.770 11.713 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.522 10.087 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 9 1.260 10.528 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.634 12.330 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.016 12.906 -6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.394 12.609 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.967 10.016 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.740 10.202 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.592 8.890 -4.922 1.00 0.00 H new ATOM 164 N LYS A 10 -1.490 12.344 -7.562 1.00 0.00 N ATOM 165 CA LYS A 10 -1.415 13.311 -8.656 1.00 0.00 C ATOM 166 C LYS A 10 0.003 13.850 -8.801 1.00 0.00 C ATOM 167 O LYS A 10 0.220 15.066 -8.790 1.00 0.00 O ATOM 168 CB LYS A 10 -2.397 14.460 -8.417 1.00 0.00 C ATOM 169 CG LYS A 10 -3.852 14.071 -8.623 1.00 0.00 C ATOM 170 CD LYS A 10 -4.228 14.064 -10.092 1.00 0.00 C ATOM 171 CE LYS A 10 -5.606 14.668 -10.319 1.00 0.00 C ATOM 172 NZ LYS A 10 -6.192 14.241 -11.620 1.00 0.00 N ATOM 0 H LYS A 10 -1.834 12.728 -6.682 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.687 12.804 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.269 14.830 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.151 15.282 -9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.028 13.083 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.495 14.769 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.486 14.624 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.212 13.041 -10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.270 14.372 -9.507 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.535 15.755 -10.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.130 14.674 -11.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.571 14.545 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.284 13.205 -11.636 1.00 0.00 H new ATOM 186 N GLN A 11 0.969 12.946 -8.939 1.00 0.00 N ATOM 187 CA GLN A 11 2.373 13.330 -9.090 1.00 0.00 C ATOM 188 C GLN A 11 3.268 12.095 -9.025 1.00 0.00 C ATOM 189 O GLN A 11 3.763 11.731 -7.957 1.00 0.00 O ATOM 190 CB GLN A 11 2.780 14.326 -7.999 1.00 0.00 C ATOM 191 CG GLN A 11 2.947 15.752 -8.512 1.00 0.00 C ATOM 192 CD GLN A 11 4.349 16.288 -8.295 1.00 0.00 C ATOM 193 OE1 GLN A 11 4.723 16.638 -7.175 1.00 0.00 O ATOM 194 NE2 GLN A 11 5.130 16.352 -9.365 1.00 0.00 N ATOM 0 H GLN A 11 0.806 11.939 -8.950 1.00 0.00 H new ATOM 0 HA GLN A 11 2.495 13.808 -10.062 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.027 14.317 -7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.717 13.998 -7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.711 15.782 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.231 16.402 -8.008 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.777 16.051 -10.273 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.084 16.703 -9.280 1.00 0.00 H new ATOM 203 N ALA A 12 3.468 11.452 -10.170 1.00 0.00 N ATOM 204 CA ALA A 12 4.300 10.256 -10.241 1.00 0.00 C ATOM 205 C ALA A 12 3.681 9.109 -9.437 1.00 0.00 C ATOM 206 O ALA A 12 2.701 9.309 -8.721 1.00 0.00 O ATOM 207 CB ALA A 12 5.705 10.552 -9.738 1.00 0.00 C ATOM 0 H ALA A 12 3.065 11.739 -11.062 1.00 0.00 H new ATOM 0 HA ALA A 12 4.359 9.949 -11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.311 9.648 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.155 11.332 -10.352 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.657 10.888 -8.702 1.00 0.00 H new ATOM 213 N LYS A 13 4.257 7.919 -9.567 1.00 0.00 N ATOM 214 CA LYS A 13 3.759 6.745 -8.855 1.00 0.00 C ATOM 215 C LYS A 13 4.812 6.210 -7.896 1.00 0.00 C ATOM 216 O LYS A 13 5.989 6.105 -8.242 1.00 0.00 O ATOM 217 CB LYS A 13 3.353 5.667 -9.856 1.00 0.00 C ATOM 218 CG LYS A 13 2.843 4.395 -9.197 1.00 0.00 C ATOM 219 CD LYS A 13 2.394 3.371 -10.229 1.00 0.00 C ATOM 220 CE LYS A 13 3.165 2.068 -10.096 1.00 0.00 C ATOM 221 NZ LYS A 13 3.479 1.467 -11.422 1.00 0.00 N ATOM 0 H LYS A 13 5.069 7.741 -10.158 1.00 0.00 H new ATOM 0 HA LYS A 13 2.886 7.034 -8.271 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.578 6.064 -10.512 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.210 5.424 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.629 3.966 -8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.010 4.636 -8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.328 3.177 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.535 3.777 -11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.092 2.249 -9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.582 1.361 -9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.005 0.580 -11.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.594 1.270 -11.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.057 2.131 -11.976 1.00 0.00 H new ATOM 235 N GLU A 14 4.378 5.864 -6.688 1.00 0.00 N ATOM 236 CA GLU A 14 5.280 5.329 -5.675 1.00 0.00 C ATOM 237 C GLU A 14 4.841 3.933 -5.244 1.00 0.00 C ATOM 238 O GLU A 14 3.654 3.681 -5.040 1.00 0.00 O ATOM 239 CB GLU A 14 5.330 6.262 -4.463 1.00 0.00 C ATOM 240 CG GLU A 14 6.622 7.058 -4.362 1.00 0.00 C ATOM 241 CD GLU A 14 7.446 6.686 -3.145 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.883 6.666 -2.030 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.654 6.412 -3.307 1.00 0.00 O ATOM 0 H GLU A 14 3.407 5.945 -6.387 1.00 0.00 H new ATOM 0 HA GLU A 14 6.278 5.259 -6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.489 6.954 -4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.204 5.672 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.216 6.894 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.386 8.122 -4.325 1.00 0.00 H new ATOM 250 N GLU A 15 5.805 3.027 -5.111 1.00 0.00 N ATOM 251 CA GLU A 15 5.511 1.655 -4.708 1.00 0.00 C ATOM 252 C GLU A 15 6.061 1.358 -3.318 1.00 0.00 C ATOM 253 O GLU A 15 7.243 1.569 -3.047 1.00 0.00 O ATOM 254 CB GLU A 15 6.101 0.667 -5.716 1.00 0.00 C ATOM 255 CG GLU A 15 5.349 0.624 -7.036 1.00 0.00 C ATOM 256 CD GLU A 15 6.122 -0.091 -8.126 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.365 -0.173 -8.016 1.00 0.00 O ATOM 258 OE2 GLU A 15 5.488 -0.571 -9.088 1.00 0.00 O ATOM 0 H GLU A 15 6.794 3.217 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 15 4.427 1.542 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.140 0.933 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.104 -0.330 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.391 0.125 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.131 1.642 -7.359 1.00 0.00 H new ATOM 265 N ALA A 16 5.196 0.857 -2.443 1.00 0.00 N ATOM 266 CA ALA A 16 5.592 0.518 -1.083 1.00 0.00 C ATOM 267 C ALA A 16 5.604 -0.994 -0.895 1.00 0.00 C ATOM 268 O ALA A 16 4.658 -1.682 -1.275 1.00 0.00 O ATOM 269 CB ALA A 16 4.658 1.170 -0.076 1.00 0.00 C ATOM 0 H ALA A 16 4.214 0.677 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 16 6.600 0.897 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.970 0.905 0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.694 2.253 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.640 0.820 -0.245 1.00 0.00 H new ATOM 275 N ILE A 17 6.681 -1.509 -0.314 1.00 0.00 N ATOM 276 CA ILE A 17 6.806 -2.942 -0.089 1.00 0.00 C ATOM 277 C ILE A 17 7.435 -3.242 1.265 1.00 0.00 C ATOM 278 O ILE A 17 8.203 -2.441 1.798 1.00 0.00 O ATOM 279 CB ILE A 17 7.636 -3.615 -1.203 1.00 0.00 C ATOM 280 CG1 ILE A 17 9.091 -3.133 -1.161 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.017 -3.334 -2.565 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.256 -1.669 -1.506 1.00 0.00 C ATOM 0 H ILE A 17 7.476 -0.958 0.008 1.00 0.00 H new ATOM 0 HA ILE A 17 5.796 -3.352 -0.104 1.00 0.00 H new ATOM 0 HB ILE A 17 7.631 -4.692 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.495 -3.310 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.683 -3.730 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.612 -3.814 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.001 -3.728 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.994 -2.258 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.311 -1.400 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.883 -1.489 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.693 -1.062 -0.797 1.00 0.00 H new ATOM 294 N LYS A 18 7.094 -4.399 1.818 1.00 0.00 N ATOM 295 CA LYS A 18 7.611 -4.807 3.115 1.00 0.00 C ATOM 296 C LYS A 18 7.285 -6.274 3.389 1.00 0.00 C ATOM 297 O LYS A 18 6.223 -6.766 3.008 1.00 0.00 O ATOM 298 CB LYS A 18 7.019 -3.908 4.205 1.00 0.00 C ATOM 299 CG LYS A 18 7.101 -4.491 5.610 1.00 0.00 C ATOM 300 CD LYS A 18 7.475 -3.431 6.634 1.00 0.00 C ATOM 301 CE LYS A 18 6.853 -3.722 7.989 1.00 0.00 C ATOM 302 NZ LYS A 18 7.407 -4.961 8.602 1.00 0.00 N ATOM 0 H LYS A 18 6.460 -5.072 1.386 1.00 0.00 H new ATOM 0 HA LYS A 18 8.696 -4.701 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.538 -2.950 4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.974 -3.708 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.142 -4.934 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.839 -5.293 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.560 -3.385 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.145 -2.453 6.284 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.027 -2.878 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.773 -3.824 7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.956 -5.123 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.219 -5.771 7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.433 -4.855 8.732 1.00 0.00 H new ATOM 316 N GLU A 19 8.204 -6.967 4.053 1.00 0.00 N ATOM 317 CA GLU A 19 8.015 -8.377 4.378 1.00 0.00 C ATOM 318 C GLU A 19 7.485 -8.540 5.799 1.00 0.00 C ATOM 319 O GLU A 19 8.111 -8.094 6.760 1.00 0.00 O ATOM 320 CB GLU A 19 9.324 -9.139 4.217 1.00 0.00 C ATOM 321 CG GLU A 19 9.649 -9.492 2.776 1.00 0.00 C ATOM 322 CD GLU A 19 10.643 -10.641 2.669 1.00 0.00 C ATOM 323 OE1 GLU A 19 11.726 -10.549 3.276 1.00 0.00 O ATOM 324 OE2 GLU A 19 10.322 -11.630 1.974 1.00 0.00 O ATOM 0 H GLU A 19 9.088 -6.575 4.377 1.00 0.00 H new ATOM 0 HA GLU A 19 7.280 -8.789 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.137 -8.539 4.628 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.276 -10.056 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.730 -9.760 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.056 -8.615 2.273 1.00 0.00 H new ATOM 331 N ALA A 20 6.329 -9.183 5.924 1.00 0.00 N ATOM 332 CA ALA A 20 5.715 -9.406 7.227 1.00 0.00 C ATOM 333 C ALA A 20 5.104 -10.801 7.315 1.00 0.00 C ATOM 334 O ALA A 20 4.552 -11.310 6.340 1.00 0.00 O ATOM 335 CB ALA A 20 4.658 -8.347 7.501 1.00 0.00 C ATOM 0 H ALA A 20 5.798 -9.559 5.138 1.00 0.00 H new ATOM 0 HA ALA A 20 6.494 -9.331 7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.208 -8.526 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.120 -7.360 7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.887 -8.395 6.732 1.00 0.00 H new ATOM 341 N VAL A 21 5.209 -11.415 8.489 1.00 0.00 N ATOM 342 CA VAL A 21 4.669 -12.752 8.705 1.00 0.00 C ATOM 343 C VAL A 21 3.163 -12.787 8.461 1.00 0.00 C ATOM 344 O VAL A 21 2.655 -13.680 7.782 1.00 0.00 O ATOM 345 CB VAL A 21 4.958 -13.255 10.131 1.00 0.00 C ATOM 346 CG1 VAL A 21 6.454 -13.441 10.338 1.00 0.00 C ATOM 347 CG2 VAL A 21 4.385 -12.296 11.164 1.00 0.00 C ATOM 0 H VAL A 21 5.664 -11.007 9.306 1.00 0.00 H new ATOM 0 HA VAL A 21 5.165 -13.408 7.990 1.00 0.00 H new ATOM 0 HB VAL A 21 4.473 -14.222 10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.640 -13.797 11.351 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.832 -14.171 9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.963 -12.489 10.189 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.600 -12.669 12.165 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.838 -11.313 11.038 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.306 -12.218 11.029 1.00 0.00 H new ATOM 357 N ASP A 22 2.450 -11.811 9.017 1.00 0.00 N ATOM 358 CA ASP A 22 1.002 -11.735 8.857 1.00 0.00 C ATOM 359 C ASP A 22 0.613 -10.518 8.022 1.00 0.00 C ATOM 360 O ASP A 22 1.464 -9.889 7.394 1.00 0.00 O ATOM 361 CB ASP A 22 0.322 -11.676 10.229 1.00 0.00 C ATOM 362 CG ASP A 22 0.656 -10.407 10.992 1.00 0.00 C ATOM 363 OD1 ASP A 22 1.453 -9.595 10.474 1.00 0.00 O ATOM 364 OD2 ASP A 22 0.121 -10.226 12.105 1.00 0.00 O ATOM 0 H ASP A 22 2.852 -11.063 9.582 1.00 0.00 H new ATOM 0 HA ASP A 22 0.666 -12.630 8.334 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.758 -11.743 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.626 -12.541 10.819 1.00 0.00 H new ATOM 369 N ALA A 23 -0.677 -10.186 8.018 1.00 0.00 N ATOM 370 CA ALA A 23 -1.167 -9.044 7.257 1.00 0.00 C ATOM 371 C ALA A 23 -1.415 -7.844 8.161 1.00 0.00 C ATOM 372 O ALA A 23 -1.208 -6.699 7.758 1.00 0.00 O ATOM 373 CB ALA A 23 -2.438 -9.411 6.510 1.00 0.00 C ATOM 0 H ALA A 23 -1.398 -10.692 8.533 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.399 -8.769 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.791 -8.547 5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.232 -10.233 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.204 -9.717 7.223 1.00 0.00 H new ATOM 379 N GLY A 24 -1.855 -8.109 9.389 1.00 0.00 N ATOM 380 CA GLY A 24 -2.119 -7.035 10.332 1.00 0.00 C ATOM 381 C GLY A 24 -0.976 -6.041 10.402 1.00 0.00 C ATOM 382 O GLY A 24 -1.190 -4.845 10.600 1.00 0.00 O ATOM 0 H GLY A 24 -2.033 -9.047 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.033 -6.516 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.292 -7.457 11.322 1.00 0.00 H new ATOM 386 N THR A 25 0.242 -6.543 10.228 1.00 0.00 N ATOM 387 CA THR A 25 1.430 -5.701 10.259 1.00 0.00 C ATOM 388 C THR A 25 1.624 -5.002 8.918 1.00 0.00 C ATOM 389 O THR A 25 2.182 -3.908 8.853 1.00 0.00 O ATOM 390 CB THR A 25 2.665 -6.536 10.600 1.00 0.00 C ATOM 391 OG1 THR A 25 2.369 -7.478 11.615 1.00 0.00 O ATOM 392 CG2 THR A 25 3.838 -5.704 11.074 1.00 0.00 C ATOM 0 H THR A 25 0.431 -7.532 10.064 1.00 0.00 H new ATOM 0 HA THR A 25 1.294 -4.943 11.031 1.00 0.00 H new ATOM 0 HB THR A 25 2.944 -7.032 9.670 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.310 -8.374 11.223 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.681 -6.358 11.299 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.124 -5.000 10.293 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.555 -5.155 11.972 1.00 0.00 H new ATOM 400 N ALA A 26 1.152 -5.641 7.850 1.00 0.00 N ATOM 401 CA ALA A 26 1.268 -5.074 6.514 1.00 0.00 C ATOM 402 C ALA A 26 0.237 -3.973 6.307 1.00 0.00 C ATOM 403 O ALA A 26 0.537 -2.927 5.733 1.00 0.00 O ATOM 404 CB ALA A 26 1.105 -6.163 5.462 1.00 0.00 C ATOM 0 H ALA A 26 0.688 -6.548 7.886 1.00 0.00 H new ATOM 0 HA ALA A 26 2.261 -4.636 6.410 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.194 -5.725 4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.880 -6.918 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.124 -6.627 5.568 1.00 0.00 H new ATOM 410 N GLU A 27 -0.979 -4.215 6.786 1.00 0.00 N ATOM 411 CA GLU A 27 -2.057 -3.242 6.663 1.00 0.00 C ATOM 412 C GLU A 27 -1.752 -1.999 7.494 1.00 0.00 C ATOM 413 O GLU A 27 -1.664 -0.891 6.965 1.00 0.00 O ATOM 414 CB GLU A 27 -3.383 -3.857 7.111 1.00 0.00 C ATOM 415 CG GLU A 27 -4.569 -2.917 6.969 1.00 0.00 C ATOM 416 CD GLU A 27 -5.898 -3.621 7.167 1.00 0.00 C ATOM 417 OE1 GLU A 27 -6.006 -4.428 8.113 1.00 0.00 O ATOM 418 OE2 GLU A 27 -6.830 -3.365 6.375 1.00 0.00 O ATOM 0 H GLU A 27 -1.242 -5.077 7.263 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.139 -2.952 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.572 -4.758 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.297 -4.165 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.478 -2.110 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.548 -2.459 5.980 1.00 0.00 H new ATOM 425 N LYS A 28 -1.589 -2.194 8.800 1.00 0.00 N ATOM 426 CA LYS A 28 -1.291 -1.090 9.708 1.00 0.00 C ATOM 427 C LYS A 28 -0.045 -0.328 9.258 1.00 0.00 C ATOM 428 O LYS A 28 0.021 0.896 9.378 1.00 0.00 O ATOM 429 CB LYS A 28 -1.098 -1.614 11.133 1.00 0.00 C ATOM 430 CG LYS A 28 -2.303 -1.386 12.032 1.00 0.00 C ATOM 431 CD LYS A 28 -2.430 -2.479 13.081 1.00 0.00 C ATOM 432 CE LYS A 28 -3.791 -2.442 13.760 1.00 0.00 C ATOM 433 NZ LYS A 28 -3.783 -3.172 15.058 1.00 0.00 N ATOM 0 H LYS A 28 -1.658 -3.105 9.253 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.136 -0.402 9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.882 -2.682 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.228 -1.129 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.214 -0.417 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.209 -1.354 11.427 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.281 -3.453 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.646 -2.361 13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.085 -1.406 13.928 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.538 -2.883 13.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.728 -3.124 15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.527 -4.167 14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.088 -2.736 15.697 1.00 0.00 H new ATOM 447 N TYR A 29 0.941 -1.055 8.739 1.00 0.00 N ATOM 448 CA TYR A 29 2.181 -0.438 8.273 1.00 0.00 C ATOM 449 C TYR A 29 1.948 0.319 6.968 1.00 0.00 C ATOM 450 O TYR A 29 2.334 1.482 6.837 1.00 0.00 O ATOM 451 CB TYR A 29 3.271 -1.500 8.079 1.00 0.00 C ATOM 452 CG TYR A 29 4.533 -0.968 7.437 1.00 0.00 C ATOM 453 CD1 TYR A 29 4.598 -0.749 6.066 1.00 0.00 C ATOM 454 CD2 TYR A 29 5.659 -0.683 8.200 1.00 0.00 C ATOM 455 CE1 TYR A 29 5.750 -0.263 5.475 1.00 0.00 C ATOM 456 CE2 TYR A 29 6.813 -0.196 7.616 1.00 0.00 C ATOM 457 CZ TYR A 29 6.854 0.012 6.254 1.00 0.00 C ATOM 458 OH TYR A 29 8.000 0.496 5.669 1.00 0.00 O ATOM 0 H TYR A 29 0.907 -2.069 8.630 1.00 0.00 H new ATOM 0 HA TYR A 29 2.514 0.270 9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.521 -1.932 9.048 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.874 -2.307 7.464 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.735 -0.962 5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.632 -0.845 9.267 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.785 -0.100 4.408 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.679 0.021 8.224 1.00 0.00 H new ATOM 0 HH TYR A 29 8.683 0.638 6.357 1.00 0.00 H new ATOM 468 N PHE A 30 1.306 -0.342 6.010 1.00 0.00 N ATOM 469 CA PHE A 30 1.018 0.278 4.723 1.00 0.00 C ATOM 470 C PHE A 30 0.128 1.499 4.921 1.00 0.00 C ATOM 471 O PHE A 30 0.359 2.553 4.331 1.00 0.00 O ATOM 472 CB PHE A 30 0.340 -0.721 3.774 1.00 0.00 C ATOM 473 CG PHE A 30 1.303 -1.550 2.954 1.00 0.00 C ATOM 474 CD1 PHE A 30 2.534 -1.038 2.562 1.00 0.00 C ATOM 475 CD2 PHE A 30 0.973 -2.847 2.568 1.00 0.00 C ATOM 476 CE1 PHE A 30 3.412 -1.797 1.809 1.00 0.00 C ATOM 477 CE2 PHE A 30 1.851 -3.606 1.815 1.00 0.00 C ATOM 478 CZ PHE A 30 3.070 -3.081 1.436 1.00 0.00 C ATOM 0 H PHE A 30 0.977 -1.303 6.100 1.00 0.00 H new ATOM 0 HA PHE A 30 1.960 0.591 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.290 -1.390 4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.317 -0.174 3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.809 -0.034 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.021 -3.265 2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.365 -1.385 1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.582 -4.611 1.523 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.755 -3.674 0.848 1.00 0.00 H new ATOM 488 N LYS A 31 -0.885 1.350 5.767 1.00 0.00 N ATOM 489 CA LYS A 31 -1.802 2.445 6.052 1.00 0.00 C ATOM 490 C LYS A 31 -1.049 3.659 6.596 1.00 0.00 C ATOM 491 O LYS A 31 -1.411 4.800 6.313 1.00 0.00 O ATOM 492 CB LYS A 31 -2.868 2.000 7.054 1.00 0.00 C ATOM 493 CG LYS A 31 -4.119 2.865 7.036 1.00 0.00 C ATOM 494 CD LYS A 31 -4.218 3.730 8.281 1.00 0.00 C ATOM 495 CE LYS A 31 -4.527 2.898 9.515 1.00 0.00 C ATOM 496 NZ LYS A 31 -4.417 3.699 10.767 1.00 0.00 N ATOM 0 H LYS A 31 -1.091 0.484 6.266 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.288 2.730 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.147 0.968 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.441 2.014 8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.110 3.500 6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.001 2.229 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.281 4.266 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.996 4.481 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.534 2.488 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.841 2.052 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.635 3.096 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.450 4.070 10.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.089 4.492 10.732 1.00 0.00 H new ATOM 510 N LEU A 32 0.002 3.409 7.377 1.00 0.00 N ATOM 511 CA LEU A 32 0.796 4.485 7.953 1.00 0.00 C ATOM 512 C LEU A 32 1.539 5.262 6.870 1.00 0.00 C ATOM 513 O LEU A 32 1.632 6.490 6.929 1.00 0.00 O ATOM 514 CB LEU A 32 1.786 3.917 8.978 1.00 0.00 C ATOM 515 CG LEU A 32 1.173 3.399 10.287 1.00 0.00 C ATOM 516 CD1 LEU A 32 1.779 4.124 11.475 1.00 0.00 C ATOM 517 CD2 LEU A 32 -0.344 3.549 10.300 1.00 0.00 C ATOM 0 H LEU A 32 0.320 2.471 7.623 1.00 0.00 H new ATOM 0 HA LEU A 32 0.120 5.176 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.336 3.101 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.512 4.693 9.221 1.00 0.00 H new ATOM 0 HG LEU A 32 1.402 2.336 10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.335 3.747 12.396 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.855 3.954 11.495 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.582 5.193 11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.739 3.171 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.606 4.601 10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.773 2.982 9.474 1.00 0.00 H new ATOM 529 N ILE A 33 2.062 4.547 5.875 1.00 0.00 N ATOM 530 CA ILE A 33 2.788 5.183 4.783 1.00 0.00 C ATOM 531 C ILE A 33 1.822 5.803 3.779 1.00 0.00 C ATOM 532 O ILE A 33 2.079 6.879 3.237 1.00 0.00 O ATOM 533 CB ILE A 33 3.717 4.184 4.060 1.00 0.00 C ATOM 534 CG1 ILE A 33 4.525 4.893 2.972 1.00 0.00 C ATOM 535 CG2 ILE A 33 2.915 3.036 3.470 1.00 0.00 C ATOM 536 CD1 ILE A 33 5.321 6.076 3.480 1.00 0.00 C ATOM 0 H ILE A 33 1.996 3.532 5.805 1.00 0.00 H new ATOM 0 HA ILE A 33 3.403 5.969 5.221 1.00 0.00 H new ATOM 0 HB ILE A 33 4.413 3.773 4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.207 4.177 2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.846 5.232 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.588 2.343 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.388 2.513 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.193 3.427 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.868 6.528 2.653 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.643 6.812 3.912 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.026 5.741 4.241 1.00 0.00 H new ATOM 548 N ALA A 34 0.704 5.124 3.544 1.00 0.00 N ATOM 549 CA ALA A 34 -0.303 5.615 2.614 1.00 0.00 C ATOM 550 C ALA A 34 -0.920 6.911 3.124 1.00 0.00 C ATOM 551 O ALA A 34 -0.782 7.964 2.502 1.00 0.00 O ATOM 552 CB ALA A 34 -1.381 4.563 2.396 1.00 0.00 C ATOM 0 H ALA A 34 0.474 4.233 3.985 1.00 0.00 H new ATOM 0 HA ALA A 34 0.182 5.819 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.126 4.945 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.930 3.659 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.860 4.330 3.347 1.00 0.00 H new ATOM 558 N ASN A 35 -1.597 6.826 4.266 1.00 0.00 N ATOM 559 CA ASN A 35 -2.234 7.992 4.867 1.00 0.00 C ATOM 560 C ASN A 35 -1.227 9.122 5.075 1.00 0.00 C ATOM 561 O ASN A 35 -1.593 10.296 5.066 1.00 0.00 O ATOM 562 CB ASN A 35 -2.876 7.617 6.206 1.00 0.00 C ATOM 563 CG ASN A 35 -4.338 7.224 6.066 1.00 0.00 C ATOM 564 OD1 ASN A 35 -4.781 6.234 6.647 1.00 0.00 O ATOM 565 ND2 ASN A 35 -5.103 7.997 5.294 1.00 0.00 N ATOM 0 H ASN A 35 -1.718 5.961 4.793 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.008 8.341 4.183 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.323 6.790 6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -2.795 8.460 6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.091 7.775 5.170 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.700 8.810 4.828 1.00 0.00 H new ATOM 572 N ALA A 36 0.041 8.764 5.264 1.00 0.00 N ATOM 573 CA ALA A 36 1.088 9.758 5.473 1.00 0.00 C ATOM 574 C ALA A 36 1.757 10.164 4.159 1.00 0.00 C ATOM 575 O ALA A 36 2.668 10.991 4.152 1.00 0.00 O ATOM 576 CB ALA A 36 2.125 9.226 6.450 1.00 0.00 C ATOM 0 H ALA A 36 0.366 7.797 5.277 1.00 0.00 H new ATOM 0 HA ALA A 36 0.621 10.649 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.902 9.975 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.646 9.005 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.571 8.316 6.048 1.00 0.00 H new ATOM 582 N LYS A 37 1.312 9.576 3.049 1.00 0.00 N ATOM 583 CA LYS A 37 1.888 9.887 1.745 1.00 0.00 C ATOM 584 C LYS A 37 0.970 10.792 0.924 1.00 0.00 C ATOM 585 O LYS A 37 1.441 11.668 0.207 1.00 0.00 O ATOM 586 CB LYS A 37 2.176 8.598 0.971 1.00 0.00 C ATOM 587 CG LYS A 37 3.597 8.085 1.148 1.00 0.00 C ATOM 588 CD LYS A 37 4.365 8.095 -0.164 1.00 0.00 C ATOM 589 CE LYS A 37 4.746 9.508 -0.576 1.00 0.00 C ATOM 590 NZ LYS A 37 5.321 10.274 0.562 1.00 0.00 N ATOM 0 H LYS A 37 0.560 8.887 3.028 1.00 0.00 H new ATOM 0 HA LYS A 37 2.822 10.422 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.477 7.826 1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.991 8.772 -0.089 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.118 8.702 1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.571 7.071 1.547 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.265 7.489 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.758 7.638 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.469 9.468 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.866 10.026 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.063 10.912 0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.572 10.832 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.731 9.614 1.253 1.00 0.00 H new ATOM 604 N THR A 38 -0.337 10.569 1.024 1.00 0.00 N ATOM 605 CA THR A 38 -1.302 11.369 0.275 1.00 0.00 C ATOM 606 C THR A 38 -2.537 11.690 1.113 1.00 0.00 C ATOM 607 O THR A 38 -3.042 12.806 1.085 1.00 0.00 O ATOM 608 CB THR A 38 -1.718 10.637 -1.002 1.00 0.00 C ATOM 609 OG1 THR A 38 -2.011 9.280 -0.728 1.00 0.00 O ATOM 610 CG2 THR A 38 -0.660 10.663 -2.079 1.00 0.00 C ATOM 0 H THR A 38 -0.751 9.846 1.612 1.00 0.00 H new ATOM 0 HA THR A 38 -0.818 12.310 0.013 1.00 0.00 H new ATOM 0 HB THR A 38 -2.598 11.169 -1.364 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.936 9.086 -0.987 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.021 10.126 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.442 11.696 -2.350 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.248 10.186 -1.709 1.00 0.00 H new ATOM 618 N VAL A 39 -3.022 10.698 1.856 1.00 0.00 N ATOM 619 CA VAL A 39 -4.204 10.870 2.701 1.00 0.00 C ATOM 620 C VAL A 39 -5.483 10.804 1.872 1.00 0.00 C ATOM 621 O VAL A 39 -6.481 11.447 2.198 1.00 0.00 O ATOM 622 CB VAL A 39 -4.182 12.210 3.472 1.00 0.00 C ATOM 623 CG1 VAL A 39 -5.220 12.200 4.583 1.00 0.00 C ATOM 624 CG2 VAL A 39 -2.795 12.495 4.033 1.00 0.00 C ATOM 0 H VAL A 39 -2.614 9.764 1.891 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.185 10.052 3.422 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.431 13.009 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.192 13.150 5.116 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.211 12.054 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.002 11.388 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.808 13.443 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.507 11.695 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.076 12.551 3.215 1.00 0.00 H new ATOM 634 N GLU A 40 -5.449 10.021 0.797 1.00 0.00 N ATOM 635 CA GLU A 40 -6.607 9.873 -0.078 1.00 0.00 C ATOM 636 C GLU A 40 -6.326 8.859 -1.183 1.00 0.00 C ATOM 637 O GLU A 40 -5.198 8.747 -1.665 1.00 0.00 O ATOM 638 CB GLU A 40 -6.985 11.222 -0.691 1.00 0.00 C ATOM 639 CG GLU A 40 -8.462 11.557 -0.556 1.00 0.00 C ATOM 640 CD GLU A 40 -8.724 12.633 0.477 1.00 0.00 C ATOM 641 OE1 GLU A 40 -7.905 13.567 0.578 1.00 0.00 O ATOM 642 OE2 GLU A 40 -9.749 12.547 1.182 1.00 0.00 O ATOM 0 H GLU A 40 -4.633 9.480 0.512 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.441 9.509 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.398 12.006 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.716 11.220 -1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.846 11.885 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.012 10.656 -0.284 1.00 0.00 H new ATOM 649 N GLY A 41 -7.359 8.124 -1.581 1.00 0.00 N ATOM 650 CA GLY A 41 -7.198 7.129 -2.629 1.00 0.00 C ATOM 651 C GLY A 41 -8.257 6.046 -2.576 1.00 0.00 C ATOM 652 O GLY A 41 -9.107 6.040 -1.684 1.00 0.00 O ATOM 0 H GLY A 41 -8.302 8.198 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.236 7.621 -3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.212 6.672 -2.542 1.00 0.00 H new ATOM 656 N VAL A 42 -8.198 5.122 -3.528 1.00 0.00 N ATOM 657 CA VAL A 42 -9.147 4.019 -3.589 1.00 0.00 C ATOM 658 C VAL A 42 -8.470 2.721 -3.182 1.00 0.00 C ATOM 659 O VAL A 42 -7.663 2.164 -3.929 1.00 0.00 O ATOM 660 CB VAL A 42 -9.758 3.859 -4.995 1.00 0.00 C ATOM 661 CG1 VAL A 42 -10.970 2.942 -4.950 1.00 0.00 C ATOM 662 CG2 VAL A 42 -10.129 5.217 -5.577 1.00 0.00 C ATOM 0 H VAL A 42 -7.499 5.116 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.955 4.250 -2.895 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.010 3.404 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.388 2.841 -5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.670 1.961 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.722 3.365 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.559 5.082 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.858 5.704 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.236 5.838 -5.649 1.00 0.00 H new ATOM 672 N TRP A 43 -8.802 2.263 -1.985 1.00 0.00 N ATOM 673 CA TRP A 43 -8.249 1.054 -1.425 1.00 0.00 C ATOM 674 C TRP A 43 -8.664 -0.176 -2.229 1.00 0.00 C ATOM 675 O TRP A 43 -9.847 -0.385 -2.499 1.00 0.00 O ATOM 676 CB TRP A 43 -8.749 0.938 0.010 1.00 0.00 C ATOM 677 CG TRP A 43 -7.844 1.594 1.022 1.00 0.00 C ATOM 678 CD1 TRP A 43 -7.784 2.932 1.308 1.00 0.00 C ATOM 679 CD2 TRP A 43 -6.875 0.958 1.879 1.00 0.00 C ATOM 680 NE1 TRP A 43 -6.852 3.165 2.285 1.00 0.00 N ATOM 681 CE2 TRP A 43 -6.281 1.977 2.653 1.00 0.00 C ATOM 682 CE3 TRP A 43 -6.452 -0.367 2.074 1.00 0.00 C ATOM 683 CZ2 TRP A 43 -5.296 1.724 3.599 1.00 0.00 C ATOM 684 CZ3 TRP A 43 -5.453 -0.617 3.032 1.00 0.00 C ATOM 685 CH2 TRP A 43 -4.896 0.429 3.775 1.00 0.00 C ATOM 0 H TRP A 43 -9.471 2.730 -1.373 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.160 1.102 -1.455 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.740 1.387 0.077 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.858 -0.117 0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -8.384 3.693 0.832 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.621 4.078 2.676 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -6.884 -1.175 1.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.860 2.525 4.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.112 -1.629 3.196 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.132 0.208 4.505 1.00 0.00 H new ATOM 696 N THR A 44 -7.683 -0.989 -2.599 1.00 0.00 N ATOM 697 CA THR A 44 -7.936 -2.205 -3.363 1.00 0.00 C ATOM 698 C THR A 44 -6.871 -3.250 -3.059 1.00 0.00 C ATOM 699 O THR A 44 -5.756 -2.910 -2.675 1.00 0.00 O ATOM 700 CB THR A 44 -7.958 -1.898 -4.861 1.00 0.00 C ATOM 701 OG1 THR A 44 -7.114 -0.803 -5.162 1.00 0.00 O ATOM 702 CG2 THR A 44 -9.340 -1.570 -5.386 1.00 0.00 C ATOM 0 H THR A 44 -6.700 -0.828 -2.381 1.00 0.00 H new ATOM 0 HA THR A 44 -8.910 -2.600 -3.073 1.00 0.00 H new ATOM 0 HB THR A 44 -7.610 -2.810 -5.346 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.141 -0.624 -6.125 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.284 -1.363 -6.455 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.005 -2.417 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.728 -0.694 -4.866 1.00 0.00 H new ATOM 710 N TYR A 45 -7.215 -4.523 -3.229 1.00 0.00 N ATOM 711 CA TYR A 45 -6.264 -5.602 -2.969 1.00 0.00 C ATOM 712 C TYR A 45 -6.433 -6.738 -3.971 1.00 0.00 C ATOM 713 O TYR A 45 -7.539 -7.022 -4.428 1.00 0.00 O ATOM 714 CB TYR A 45 -6.403 -6.115 -1.522 1.00 0.00 C ATOM 715 CG TYR A 45 -6.243 -7.615 -1.369 1.00 0.00 C ATOM 716 CD1 TYR A 45 -7.309 -8.473 -1.604 1.00 0.00 C ATOM 717 CD2 TYR A 45 -5.027 -8.167 -0.990 1.00 0.00 C ATOM 718 CE1 TYR A 45 -7.169 -9.840 -1.465 1.00 0.00 C ATOM 719 CE2 TYR A 45 -4.878 -9.535 -0.849 1.00 0.00 C ATOM 720 CZ TYR A 45 -5.952 -10.366 -1.088 1.00 0.00 C ATOM 721 OH TYR A 45 -5.808 -11.727 -0.949 1.00 0.00 O ATOM 0 H TYR A 45 -8.135 -4.832 -3.542 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.258 -5.201 -3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.658 -5.618 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.382 -5.826 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.264 -8.065 -1.901 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.184 -7.518 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.009 -10.493 -1.651 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.926 -9.950 -0.553 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.888 -11.983 -1.170 1.00 0.00 H new ATOM 731 N LYS A 46 -5.322 -7.387 -4.303 1.00 0.00 N ATOM 732 CA LYS A 46 -5.336 -8.498 -5.246 1.00 0.00 C ATOM 733 C LYS A 46 -4.825 -9.774 -4.585 1.00 0.00 C ATOM 734 O LYS A 46 -3.831 -9.753 -3.848 1.00 0.00 O ATOM 735 CB LYS A 46 -4.484 -8.170 -6.474 1.00 0.00 C ATOM 736 CG LYS A 46 -4.856 -8.983 -7.702 1.00 0.00 C ATOM 737 CD LYS A 46 -4.789 -8.140 -8.963 1.00 0.00 C ATOM 738 CE LYS A 46 -3.351 -7.822 -9.342 1.00 0.00 C ATOM 739 NZ LYS A 46 -3.263 -6.649 -10.254 1.00 0.00 N ATOM 0 H LYS A 46 -4.399 -7.162 -3.932 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.366 -8.658 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.586 -7.110 -6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.435 -8.345 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.182 -9.834 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.862 -9.385 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.274 -8.670 -9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.341 -7.212 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.773 -7.624 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.902 -8.691 -9.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.267 -6.465 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.793 -6.847 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.668 -5.814 -9.785 1.00 0.00 H new ATOM 753 N ASP A 47 -5.517 -10.881 -4.854 1.00 0.00 N ATOM 754 CA ASP A 47 -5.151 -12.176 -4.294 1.00 0.00 C ATOM 755 C ASP A 47 -4.135 -12.887 -5.183 1.00 0.00 C ATOM 756 O ASP A 47 -4.380 -13.109 -6.363 1.00 0.00 O ATOM 757 CB ASP A 47 -6.394 -13.050 -4.118 1.00 0.00 C ATOM 758 CG ASP A 47 -6.383 -13.815 -2.810 1.00 0.00 C ATOM 759 OD1 ASP A 47 -5.283 -14.043 -2.265 1.00 0.00 O ATOM 760 OD2 ASP A 47 -7.475 -14.186 -2.330 1.00 0.00 O ATOM 0 H ASP A 47 -6.338 -10.903 -5.460 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.695 -12.005 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.285 -12.423 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.460 -13.755 -4.947 1.00 0.00 H new ATOM 765 N GLU A 48 -2.997 -13.236 -4.592 1.00 0.00 N ATOM 766 CA GLU A 48 -1.916 -13.924 -5.302 1.00 0.00 C ATOM 767 C GLU A 48 -0.625 -13.833 -4.487 1.00 0.00 C ATOM 768 O GLU A 48 -0.081 -14.847 -4.051 1.00 0.00 O ATOM 769 CB GLU A 48 -1.732 -13.338 -6.720 1.00 0.00 C ATOM 770 CG GLU A 48 -0.288 -13.074 -7.118 1.00 0.00 C ATOM 771 CD GLU A 48 -0.149 -12.700 -8.577 1.00 0.00 C ATOM 772 OE1 GLU A 48 -0.248 -11.501 -8.904 1.00 0.00 O ATOM 773 OE2 GLU A 48 0.064 -13.615 -9.406 1.00 0.00 O ATOM 0 H GLU A 48 -2.795 -13.052 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.177 -14.976 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.173 -14.025 -7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.289 -12.404 -6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.115 -12.271 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.310 -13.963 -6.915 1.00 0.00 H new ATOM 780 N ILE A 49 -0.156 -12.607 -4.262 1.00 0.00 N ATOM 781 CA ILE A 49 1.046 -12.375 -3.473 1.00 0.00 C ATOM 782 C ILE A 49 0.766 -11.344 -2.382 1.00 0.00 C ATOM 783 O ILE A 49 1.679 -10.692 -1.875 1.00 0.00 O ATOM 784 CB ILE A 49 2.223 -11.888 -4.348 1.00 0.00 C ATOM 785 CG1 ILE A 49 2.435 -12.830 -5.528 1.00 0.00 C ATOM 786 CG2 ILE A 49 3.496 -11.783 -3.519 1.00 0.00 C ATOM 787 CD1 ILE A 49 2.541 -12.115 -6.859 1.00 0.00 C ATOM 0 H ILE A 49 -0.594 -11.758 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 49 1.329 -13.326 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 49 1.979 -10.898 -4.734 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.343 -13.409 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.608 -13.539 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.315 -11.439 -4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.343 -11.074 -2.705 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.743 -12.761 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.691 -12.846 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.623 -11.558 -7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.385 -11.426 -6.836 1.00 0.00 H new ATOM 799 N LYS A 50 -0.512 -11.198 -2.031 1.00 0.00 N ATOM 800 CA LYS A 50 -0.923 -10.246 -1.005 1.00 0.00 C ATOM 801 C LYS A 50 -0.516 -8.831 -1.396 1.00 0.00 C ATOM 802 O LYS A 50 0.536 -8.343 -0.983 1.00 0.00 O ATOM 803 CB LYS A 50 -0.302 -10.614 0.346 1.00 0.00 C ATOM 804 CG LYS A 50 -0.333 -12.103 0.652 1.00 0.00 C ATOM 805 CD LYS A 50 -1.397 -12.442 1.685 1.00 0.00 C ATOM 806 CE LYS A 50 -2.799 -12.259 1.125 1.00 0.00 C ATOM 807 NZ LYS A 50 -3.516 -13.556 0.991 1.00 0.00 N ATOM 0 H LYS A 50 -1.279 -11.728 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.009 -10.287 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.732 -10.270 0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.830 -10.080 1.136 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.526 -12.659 -0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.644 -12.420 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.268 -13.473 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.269 -11.807 2.562 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.367 -11.596 1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.740 -11.774 0.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.468 -13.388 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.988 -14.180 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.595 -14.007 1.925 1.00 0.00 H new ATOM 821 N THR A 51 -1.349 -8.171 -2.200 1.00 0.00 N ATOM 822 CA THR A 51 -1.042 -6.812 -2.637 1.00 0.00 C ATOM 823 C THR A 51 -2.250 -5.889 -2.519 1.00 0.00 C ATOM 824 O THR A 51 -3.388 -6.297 -2.755 1.00 0.00 O ATOM 825 CB THR A 51 -0.534 -6.820 -4.080 1.00 0.00 C ATOM 826 OG1 THR A 51 -0.400 -5.499 -4.572 1.00 0.00 O ATOM 827 CG2 THR A 51 -1.440 -7.574 -5.030 1.00 0.00 C ATOM 0 H THR A 51 -2.227 -8.548 -2.556 1.00 0.00 H new ATOM 0 HA THR A 51 -0.263 -6.428 -1.979 1.00 0.00 H new ATOM 0 HB THR A 51 0.430 -7.328 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.072 -5.525 -5.495 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.021 -7.540 -6.036 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.524 -8.611 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.428 -7.114 -5.033 1.00 0.00 H new ATOM 835 N PHE A 52 -1.983 -4.636 -2.158 1.00 0.00 N ATOM 836 CA PHE A 52 -3.030 -3.631 -2.013 1.00 0.00 C ATOM 837 C PHE A 52 -2.661 -2.368 -2.786 1.00 0.00 C ATOM 838 O PHE A 52 -1.490 -2.136 -3.080 1.00 0.00 O ATOM 839 CB PHE A 52 -3.255 -3.287 -0.538 1.00 0.00 C ATOM 840 CG PHE A 52 -3.087 -4.456 0.394 1.00 0.00 C ATOM 841 CD1 PHE A 52 -1.828 -4.967 0.662 1.00 0.00 C ATOM 842 CD2 PHE A 52 -4.186 -5.038 1.002 1.00 0.00 C ATOM 843 CE1 PHE A 52 -1.668 -6.039 1.520 1.00 0.00 C ATOM 844 CE2 PHE A 52 -4.033 -6.110 1.860 1.00 0.00 C ATOM 845 CZ PHE A 52 -2.773 -6.612 2.119 1.00 0.00 C ATOM 0 H PHE A 52 -1.043 -4.292 -1.960 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.954 -4.044 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.558 -2.501 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.260 -2.882 -0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.961 -4.523 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.174 -4.650 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.681 -6.428 1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.899 -6.555 2.328 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.652 -7.451 2.788 1.00 0.00 H new ATOM 855 N THR A 53 -3.656 -1.555 -3.120 1.00 0.00 N ATOM 856 CA THR A 53 -3.403 -0.325 -3.861 1.00 0.00 C ATOM 857 C THR A 53 -4.377 0.779 -3.454 1.00 0.00 C ATOM 858 O THR A 53 -5.522 0.513 -3.090 1.00 0.00 O ATOM 859 CB THR A 53 -3.502 -0.590 -5.370 1.00 0.00 C ATOM 860 OG1 THR A 53 -2.523 -1.529 -5.776 1.00 0.00 O ATOM 861 CG2 THR A 53 -3.334 0.650 -6.235 1.00 0.00 C ATOM 0 H THR A 53 -4.636 -1.722 -2.892 1.00 0.00 H new ATOM 0 HA THR A 53 -2.395 0.013 -3.621 1.00 0.00 H new ATOM 0 HB THR A 53 -4.513 -0.969 -5.519 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.380 -1.455 -6.743 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.418 0.374 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.110 1.374 -5.987 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.354 1.091 -6.052 1.00 0.00 H new ATOM 869 N VAL A 54 -3.911 2.021 -3.538 1.00 0.00 N ATOM 870 CA VAL A 54 -4.733 3.179 -3.199 1.00 0.00 C ATOM 871 C VAL A 54 -4.560 4.273 -4.254 1.00 0.00 C ATOM 872 O VAL A 54 -3.537 4.953 -4.309 1.00 0.00 O ATOM 873 CB VAL A 54 -4.411 3.716 -1.775 1.00 0.00 C ATOM 874 CG1 VAL A 54 -3.362 4.823 -1.787 1.00 0.00 C ATOM 875 CG2 VAL A 54 -5.685 4.200 -1.098 1.00 0.00 C ATOM 0 H VAL A 54 -2.964 2.253 -3.839 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.776 2.863 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.988 2.887 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.177 5.160 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.436 4.442 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.723 5.660 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.448 4.574 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.130 5.000 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.391 3.373 -1.017 1.00 0.00 H new ATOM 885 N THR A 55 -5.562 4.415 -5.116 1.00 0.00 N ATOM 886 CA THR A 55 -5.512 5.408 -6.187 1.00 0.00 C ATOM 887 C THR A 55 -6.350 6.639 -5.851 1.00 0.00 C ATOM 888 O THR A 55 -7.537 6.534 -5.546 1.00 0.00 O ATOM 889 CB THR A 55 -5.997 4.792 -7.500 1.00 0.00 C ATOM 890 OG1 THR A 55 -5.278 3.605 -7.791 1.00 0.00 O ATOM 891 CG2 THR A 55 -5.852 5.720 -8.686 1.00 0.00 C ATOM 0 H THR A 55 -6.416 3.858 -5.095 1.00 0.00 H new ATOM 0 HA THR A 55 -4.475 5.726 -6.296 1.00 0.00 H new ATOM 0 HB THR A 55 -7.057 4.586 -7.350 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.603 3.224 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.214 5.221 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.435 6.625 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.802 5.984 -8.816 1.00 0.00 H new ATOM 899 N GLU A 56 -5.721 7.810 -5.918 1.00 0.00 N ATOM 900 CA GLU A 56 -6.406 9.066 -5.629 1.00 0.00 C ATOM 901 C GLU A 56 -6.724 9.817 -6.918 1.00 0.00 C ATOM 902 O GLU A 56 -7.679 10.619 -6.909 1.00 0.00 O ATOM 903 CB GLU A 56 -5.548 9.937 -4.710 1.00 0.00 C ATOM 904 CG GLU A 56 -6.165 11.289 -4.402 1.00 0.00 C ATOM 905 CD GLU A 56 -5.175 12.251 -3.769 1.00 0.00 C ATOM 906 OE1 GLU A 56 -4.840 12.053 -2.580 1.00 0.00 O ATOM 907 OE2 GLU A 56 -4.738 13.191 -4.457 1.00 0.00 O ATOM 908 OXT GLU A 56 -6.016 9.592 -7.920 1.00 0.00 O ATOM 0 H GLU A 56 -4.738 7.915 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.344 8.836 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.376 9.404 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.573 10.089 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.553 11.726 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.014 11.153 -3.732 1.00 0.00 H new TER 915 GLU A 56