USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 428 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 8 ASN : amide:sc= -0.499 K(o=-0.5,f=-5.2!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 THR OG1 : rot -39:sc= 1.12 USER MOD Set 2.2: A 51 THR OG1 : rot -175:sc= -3.42! USER MOD Set 3.1: A 44 THR OG1 : rot 140:sc= 0.34 USER MOD Set 3.2: A 53 THR OG1 : rot 131:sc= 0.489 USER MOD Single : A 1 THR N :NH3+ -150:sc= 0.196 (180deg=-0.527) USER MOD Single : A 1 THR OG1 : rot 37:sc= 0.402 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 80:sc= -0.608 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -140:sc= -1.3 (180deg=-3.09!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 37 ASN : amide:sc= -0.876 K(o=-0.88,f=-4.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.0195 (180deg=0.0134) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 15.369 3.591 4.031 1.00 0.00 N ATOM 2 CA THR A 1 14.202 3.799 3.125 1.00 0.00 C ATOM 3 C THR A 1 12.967 3.086 3.682 1.00 0.00 C ATOM 4 O THR A 1 12.996 1.901 3.955 1.00 0.00 O ATOM 5 CB THR A 1 14.621 3.182 1.790 1.00 0.00 C ATOM 6 OG1 THR A 1 15.167 1.890 2.019 1.00 0.00 O ATOM 7 CG2 THR A 1 15.670 4.071 1.121 1.00 0.00 C ATOM 0 H1 THR A 1 16.005 4.412 3.972 1.00 0.00 H new ATOM 0 H2 THR A 1 15.034 3.482 5.009 1.00 0.00 H new ATOM 0 H3 THR A 1 15.883 2.734 3.744 1.00 0.00 H new ATOM 0 HA THR A 1 13.941 4.852 3.023 1.00 0.00 H new ATOM 0 HB THR A 1 13.751 3.099 1.138 1.00 0.00 H new ATOM 0 HG1 THR A 1 14.669 1.447 2.737 1.00 0.00 H new ATOM 0 HG21 THR A 1 15.968 3.630 0.170 1.00 0.00 H new ATOM 0 HG22 THR A 1 15.250 5.061 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 1 16.542 4.156 1.770 1.00 0.00 H new ATOM 17 N THR A 2 11.884 3.802 3.852 1.00 0.00 N ATOM 18 CA THR A 2 10.641 3.175 4.391 1.00 0.00 C ATOM 19 C THR A 2 9.480 3.377 3.414 1.00 0.00 C ATOM 20 O THR A 2 9.129 4.492 3.077 1.00 0.00 O ATOM 21 CB THR A 2 10.369 3.906 5.707 1.00 0.00 C ATOM 22 OG1 THR A 2 11.589 4.075 6.415 1.00 0.00 O ATOM 23 CG2 THR A 2 9.394 3.087 6.554 1.00 0.00 C ATOM 0 H THR A 2 11.808 4.797 3.640 1.00 0.00 H new ATOM 0 HA THR A 2 10.749 2.100 4.536 1.00 0.00 H new ATOM 0 HB THR A 2 9.933 4.883 5.497 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.416 4.545 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.200 3.608 7.492 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.458 2.959 6.010 1.00 0.00 H new ATOM 0 HG23 THR A 2 9.828 2.109 6.765 1.00 0.00 H new ATOM 31 N PHE A 3 8.886 2.304 2.957 1.00 0.00 N ATOM 32 CA PHE A 3 7.746 2.422 1.997 1.00 0.00 C ATOM 33 C PHE A 3 6.458 2.772 2.749 1.00 0.00 C ATOM 34 O PHE A 3 6.348 2.555 3.941 1.00 0.00 O ATOM 35 CB PHE A 3 7.626 1.040 1.345 1.00 0.00 C ATOM 36 CG PHE A 3 8.910 0.705 0.620 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.424 1.588 -0.338 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.586 -0.488 0.907 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.613 1.279 -1.008 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.776 -0.796 0.236 1.00 0.00 C ATOM 41 CZ PHE A 3 11.289 0.087 -0.721 1.00 0.00 C ATOM 0 H PHE A 3 9.142 1.349 3.208 1.00 0.00 H new ATOM 0 HA PHE A 3 7.909 3.207 1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.418 0.286 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.789 1.028 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.903 2.507 -0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.190 -1.170 1.645 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.009 1.960 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.298 -1.715 0.457 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.207 -0.151 -1.238 1.00 0.00 H new ATOM 51 N LYS A 4 5.483 3.311 2.059 1.00 0.00 N ATOM 52 CA LYS A 4 4.195 3.676 2.725 1.00 0.00 C ATOM 53 C LYS A 4 3.017 3.356 1.806 1.00 0.00 C ATOM 54 O LYS A 4 3.158 3.324 0.603 1.00 0.00 O ATOM 55 CB LYS A 4 4.273 5.185 2.957 1.00 0.00 C ATOM 56 CG LYS A 4 3.155 5.611 3.911 1.00 0.00 C ATOM 57 CD LYS A 4 3.233 7.119 4.145 1.00 0.00 C ATOM 58 CE LYS A 4 1.821 7.684 4.335 1.00 0.00 C ATOM 59 NZ LYS A 4 1.681 7.883 5.804 1.00 0.00 N ATOM 0 H LYS A 4 5.524 3.514 1.060 1.00 0.00 H new ATOM 0 HA LYS A 4 4.048 3.123 3.653 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.244 5.450 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.179 5.715 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.184 5.347 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.248 5.080 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.841 7.330 5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.719 7.604 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.696 8.623 3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.066 6.995 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.738 8.268 6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.798 6.971 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.408 8.548 6.135 1.00 0.00 H new ATOM 73 N LEU A 5 1.856 3.137 2.369 1.00 0.00 N ATOM 74 CA LEU A 5 0.652 2.838 1.538 1.00 0.00 C ATOM 75 C LEU A 5 -0.603 3.336 2.256 1.00 0.00 C ATOM 76 O LEU A 5 -0.727 3.214 3.461 1.00 0.00 O ATOM 77 CB LEU A 5 0.612 1.314 1.385 1.00 0.00 C ATOM 78 CG LEU A 5 -0.060 0.948 0.046 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.827 -0.024 -0.741 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.419 0.292 0.313 1.00 0.00 C ATOM 0 H LEU A 5 1.690 3.153 3.375 1.00 0.00 H new ATOM 0 HA LEU A 5 0.694 3.330 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.623 0.908 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.061 0.869 2.214 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.201 1.858 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.343 -0.276 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.791 0.444 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.979 -0.932 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.891 0.035 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.277 -0.612 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.057 0.986 0.859 1.00 0.00 H new ATOM 92 N ILE A 6 -1.527 3.902 1.527 1.00 0.00 N ATOM 93 CA ILE A 6 -2.776 4.419 2.159 1.00 0.00 C ATOM 94 C ILE A 6 -3.972 3.557 1.743 1.00 0.00 C ATOM 95 O ILE A 6 -4.161 3.264 0.577 1.00 0.00 O ATOM 96 CB ILE A 6 -2.913 5.849 1.626 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.703 6.684 2.083 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.210 6.486 2.143 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.652 6.760 3.615 1.00 0.00 C ATOM 0 H ILE A 6 -1.470 4.029 0.517 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.741 4.394 3.248 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.947 5.822 0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.783 6.240 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.768 7.689 1.665 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.295 7.502 1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.064 5.897 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.193 6.512 3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.791 7.354 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.565 7.226 3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.564 5.754 4.026 1.00 0.00 H new ATOM 111 N ILE A 7 -4.778 3.151 2.691 1.00 0.00 N ATOM 112 CA ILE A 7 -5.966 2.307 2.362 1.00 0.00 C ATOM 113 C ILE A 7 -7.137 3.195 1.930 1.00 0.00 C ATOM 114 O ILE A 7 -7.598 4.035 2.679 1.00 0.00 O ATOM 115 CB ILE A 7 -6.303 1.559 3.657 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.097 0.725 4.101 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.494 0.629 3.415 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.340 0.184 5.511 1.00 0.00 C ATOM 0 H ILE A 7 -4.664 3.368 3.681 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.768 1.618 1.541 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.552 2.282 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.937 -0.100 3.407 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.194 1.335 4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.733 0.097 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.356 1.217 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.242 -0.090 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.482 -0.409 5.826 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.479 1.016 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.233 -0.441 5.512 1.00 0.00 H new ATOM 130 N ASN A 8 -7.618 3.011 0.727 1.00 0.00 N ATOM 131 CA ASN A 8 -8.760 3.838 0.236 1.00 0.00 C ATOM 132 C ASN A 8 -9.986 2.952 0.001 1.00 0.00 C ATOM 133 O ASN A 8 -10.565 2.947 -1.070 1.00 0.00 O ATOM 134 CB ASN A 8 -8.274 4.448 -1.080 1.00 0.00 C ATOM 135 CG ASN A 8 -7.406 5.673 -0.787 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.826 5.782 0.275 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.293 6.608 -1.690 1.00 0.00 N ATOM 0 H ASN A 8 -7.268 2.321 0.062 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.054 4.605 0.952 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.703 3.711 -1.645 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.126 4.733 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.718 7.430 -1.504 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.780 6.517 -2.582 1.00 0.00 H new ATOM 144 N GLY A 9 -10.383 2.203 0.998 1.00 0.00 N ATOM 145 CA GLY A 9 -11.570 1.312 0.846 1.00 0.00 C ATOM 146 C GLY A 9 -12.847 2.118 1.086 1.00 0.00 C ATOM 147 O GLY A 9 -12.834 3.132 1.758 1.00 0.00 O ATOM 0 H GLY A 9 -9.934 2.171 1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.585 0.876 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.511 0.485 1.554 1.00 0.00 H new ATOM 151 N LYS A 10 -13.951 1.676 0.535 1.00 0.00 N ATOM 152 CA LYS A 10 -15.241 2.410 0.718 1.00 0.00 C ATOM 153 C LYS A 10 -15.551 2.604 2.207 1.00 0.00 C ATOM 154 O LYS A 10 -16.180 3.570 2.596 1.00 0.00 O ATOM 155 CB LYS A 10 -16.304 1.523 0.065 1.00 0.00 C ATOM 156 CG LYS A 10 -16.055 1.454 -1.443 1.00 0.00 C ATOM 157 CD LYS A 10 -17.252 0.793 -2.129 1.00 0.00 C ATOM 158 CE LYS A 10 -17.307 1.232 -3.594 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.391 0.411 -4.201 1.00 0.00 N ATOM 0 H LYS A 10 -14.014 0.834 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.205 3.404 0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.272 0.522 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.298 1.924 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.901 2.456 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.147 0.887 -1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.167 -0.292 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.175 1.070 -1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.523 2.297 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.354 1.059 -4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.489 0.655 -5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.154 -0.598 -4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.287 0.601 -3.709 1.00 0.00 H new ATOM 173 N THR A 11 -15.112 1.692 3.036 1.00 0.00 N ATOM 174 CA THR A 11 -15.377 1.813 4.501 1.00 0.00 C ATOM 175 C THR A 11 -14.063 1.759 5.286 1.00 0.00 C ATOM 176 O THR A 11 -13.879 2.478 6.251 1.00 0.00 O ATOM 177 CB THR A 11 -16.257 0.610 4.845 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.281 0.481 3.869 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.885 0.812 6.224 1.00 0.00 C ATOM 0 H THR A 11 -14.580 0.867 2.761 1.00 0.00 H new ATOM 0 HA THR A 11 -15.858 2.757 4.756 1.00 0.00 H new ATOM 0 HB THR A 11 -15.649 -0.295 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.845 -0.290 4.087 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.512 -0.046 6.468 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.098 0.910 6.971 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.494 1.716 6.218 1.00 0.00 H new ATOM 187 N LEU A 12 -13.153 0.911 4.880 1.00 0.00 N ATOM 188 CA LEU A 12 -11.848 0.802 5.600 1.00 0.00 C ATOM 189 C LEU A 12 -10.850 1.828 5.054 1.00 0.00 C ATOM 190 O LEU A 12 -10.897 2.196 3.896 1.00 0.00 O ATOM 191 CB LEU A 12 -11.361 -0.620 5.321 1.00 0.00 C ATOM 192 CG LEU A 12 -12.351 -1.625 5.913 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.339 -2.907 5.079 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.946 -1.950 7.352 1.00 0.00 C ATOM 0 H LEU A 12 -13.258 0.288 4.079 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.949 0.998 6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.265 -0.778 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.372 -0.769 5.755 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.353 -1.196 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.045 -3.622 5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.626 -2.676 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.337 -3.337 5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.650 -2.666 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.944 -2.379 7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.955 -1.037 7.947 1.00 0.00 H new ATOM 206 N LYS A 13 -9.949 2.289 5.885 1.00 0.00 N ATOM 207 CA LYS A 13 -8.941 3.292 5.428 1.00 0.00 C ATOM 208 C LYS A 13 -7.762 3.339 6.405 1.00 0.00 C ATOM 209 O LYS A 13 -7.690 2.562 7.339 1.00 0.00 O ATOM 210 CB LYS A 13 -9.686 4.628 5.423 1.00 0.00 C ATOM 211 CG LYS A 13 -10.296 4.870 4.040 1.00 0.00 C ATOM 212 CD LYS A 13 -10.250 6.365 3.715 1.00 0.00 C ATOM 213 CE LYS A 13 -11.253 7.113 4.597 1.00 0.00 C ATOM 214 NZ LYS A 13 -12.456 7.297 3.739 1.00 0.00 N ATOM 0 H LYS A 13 -9.869 2.012 6.863 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.532 3.049 4.447 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.469 4.622 6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.002 5.438 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.748 4.306 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.326 4.514 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.245 6.753 3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.485 6.526 2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.492 6.543 5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.852 8.072 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.190 7.803 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.200 7.849 2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.820 6.367 3.447 1.00 0.00 H new ATOM 228 N GLY A 14 -6.842 4.246 6.195 1.00 0.00 N ATOM 229 CA GLY A 14 -5.665 4.352 7.109 1.00 0.00 C ATOM 230 C GLY A 14 -4.371 4.264 6.297 1.00 0.00 C ATOM 231 O GLY A 14 -4.392 4.016 5.106 1.00 0.00 O ATOM 0 H GLY A 14 -6.855 4.919 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.700 5.295 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.695 3.554 7.850 1.00 0.00 H new ATOM 235 N GLU A 15 -3.247 4.467 6.936 1.00 0.00 N ATOM 236 CA GLU A 15 -1.940 4.397 6.212 1.00 0.00 C ATOM 237 C GLU A 15 -1.103 3.229 6.742 1.00 0.00 C ATOM 238 O GLU A 15 -1.444 2.614 7.735 1.00 0.00 O ATOM 239 CB GLU A 15 -1.248 5.736 6.497 1.00 0.00 C ATOM 240 CG GLU A 15 -1.084 5.936 8.010 1.00 0.00 C ATOM 241 CD GLU A 15 -2.204 6.837 8.535 1.00 0.00 C ATOM 242 OE1 GLU A 15 -2.524 7.803 7.863 1.00 0.00 O ATOM 243 OE2 GLU A 15 -2.723 6.545 9.600 1.00 0.00 O ATOM 0 H GLU A 15 -3.177 4.679 7.931 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.070 4.232 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.272 5.760 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.834 6.553 6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.110 4.973 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.113 6.383 8.224 1.00 0.00 H new ATOM 250 N THR A 16 -0.011 2.919 6.086 1.00 0.00 N ATOM 251 CA THR A 16 0.850 1.788 6.553 1.00 0.00 C ATOM 252 C THR A 16 2.220 1.834 5.870 1.00 0.00 C ATOM 253 O THR A 16 2.345 2.272 4.744 1.00 0.00 O ATOM 254 CB THR A 16 0.093 0.515 6.154 1.00 0.00 C ATOM 255 OG1 THR A 16 0.852 -0.622 6.540 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.134 0.487 4.638 1.00 0.00 C ATOM 0 H THR A 16 0.321 3.399 5.249 1.00 0.00 H new ATOM 0 HA THR A 16 1.034 1.834 7.626 1.00 0.00 H new ATOM 0 HB THR A 16 -0.874 0.503 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.371 -1.438 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.672 -0.421 4.367 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.719 1.357 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.828 0.505 4.126 1.00 0.00 H new ATOM 264 N THR A 17 3.245 1.376 6.545 1.00 0.00 N ATOM 265 CA THR A 17 4.610 1.380 5.938 1.00 0.00 C ATOM 266 C THR A 17 5.288 0.030 6.161 1.00 0.00 C ATOM 267 O THR A 17 4.933 -0.709 7.061 1.00 0.00 O ATOM 268 CB THR A 17 5.381 2.477 6.672 1.00 0.00 C ATOM 269 OG1 THR A 17 5.369 2.209 8.067 1.00 0.00 O ATOM 270 CG2 THR A 17 4.731 3.834 6.406 1.00 0.00 C ATOM 0 H THR A 17 3.194 0.999 7.491 1.00 0.00 H new ATOM 0 HA THR A 17 4.574 1.556 4.863 1.00 0.00 H new ATOM 0 HB THR A 17 6.410 2.497 6.313 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.864 2.910 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.285 4.612 6.932 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.743 4.040 5.336 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.700 3.820 6.761 1.00 0.00 H new ATOM 278 N THR A 18 6.264 -0.295 5.352 1.00 0.00 N ATOM 279 CA THR A 18 6.971 -1.590 5.514 1.00 0.00 C ATOM 280 C THR A 18 8.469 -1.397 5.209 1.00 0.00 C ATOM 281 O THR A 18 8.867 -0.431 4.586 1.00 0.00 O ATOM 282 CB THR A 18 6.248 -2.546 4.522 1.00 0.00 C ATOM 283 OG1 THR A 18 5.509 -3.500 5.270 1.00 0.00 O ATOM 284 CG2 THR A 18 7.234 -3.291 3.616 1.00 0.00 C ATOM 0 H THR A 18 6.599 0.287 4.584 1.00 0.00 H new ATOM 0 HA THR A 18 6.938 -2.000 6.524 1.00 0.00 H new ATOM 0 HB THR A 18 5.597 -1.944 3.887 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.668 -3.098 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.684 -3.946 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.809 -2.571 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.911 -3.887 4.228 1.00 0.00 H new ATOM 292 N GLU A 19 9.287 -2.325 5.633 1.00 0.00 N ATOM 293 CA GLU A 19 10.750 -2.227 5.362 1.00 0.00 C ATOM 294 C GLU A 19 11.195 -3.432 4.533 1.00 0.00 C ATOM 295 O GLU A 19 11.116 -4.562 4.979 1.00 0.00 O ATOM 296 CB GLU A 19 11.416 -2.244 6.738 1.00 0.00 C ATOM 297 CG GLU A 19 12.909 -1.945 6.584 1.00 0.00 C ATOM 298 CD GLU A 19 13.702 -2.746 7.619 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.335 -2.700 8.782 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.661 -3.392 7.231 1.00 0.00 O ATOM 0 H GLU A 19 9.001 -3.151 6.159 1.00 0.00 H new ATOM 0 HA GLU A 19 11.014 -1.330 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.951 -1.503 7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.275 -3.216 7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.240 -2.203 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.092 -0.879 6.716 1.00 0.00 H new ATOM 307 N ALA A 20 11.649 -3.202 3.328 1.00 0.00 N ATOM 308 CA ALA A 20 12.085 -4.338 2.461 1.00 0.00 C ATOM 309 C ALA A 20 13.166 -3.885 1.478 1.00 0.00 C ATOM 310 O ALA A 20 13.530 -2.725 1.430 1.00 0.00 O ATOM 311 CB ALA A 20 10.823 -4.758 1.709 1.00 0.00 C ATOM 0 H ALA A 20 11.737 -2.277 2.907 1.00 0.00 H new ATOM 0 HA ALA A 20 12.515 -5.155 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.055 -5.592 1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.059 -5.064 2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.454 -3.918 1.120 1.00 0.00 H new ATOM 317 N VAL A 21 13.680 -4.800 0.695 1.00 0.00 N ATOM 318 CA VAL A 21 14.743 -4.441 -0.295 1.00 0.00 C ATOM 319 C VAL A 21 14.233 -3.369 -1.267 1.00 0.00 C ATOM 320 O VAL A 21 14.948 -2.449 -1.618 1.00 0.00 O ATOM 321 CB VAL A 21 15.066 -5.744 -1.042 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.569 -6.791 -0.047 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.810 -6.278 -1.747 1.00 0.00 C ATOM 0 H VAL A 21 13.409 -5.783 0.698 1.00 0.00 H new ATOM 0 HA VAL A 21 15.627 -4.028 0.191 1.00 0.00 H new ATOM 0 HB VAL A 21 15.835 -5.542 -1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.798 -7.716 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.469 -6.422 0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.799 -6.982 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.053 -7.202 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.034 -6.474 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.451 -5.537 -2.462 1.00 0.00 H new ATOM 333 N ASP A 22 13.003 -3.483 -1.699 1.00 0.00 N ATOM 334 CA ASP A 22 12.432 -2.479 -2.645 1.00 0.00 C ATOM 335 C ASP A 22 10.920 -2.372 -2.438 1.00 0.00 C ATOM 336 O ASP A 22 10.326 -3.170 -1.737 1.00 0.00 O ATOM 337 CB ASP A 22 12.738 -3.017 -4.046 1.00 0.00 C ATOM 338 CG ASP A 22 14.251 -3.145 -4.237 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.911 -2.119 -4.284 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.724 -4.265 -4.332 1.00 0.00 O ATOM 0 H ASP A 22 12.366 -4.234 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 22 12.855 -1.486 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.262 -3.988 -4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.323 -2.348 -4.800 1.00 0.00 H new ATOM 345 N ALA A 23 10.295 -1.397 -3.046 1.00 0.00 N ATOM 346 CA ALA A 23 8.816 -1.242 -2.890 1.00 0.00 C ATOM 347 C ALA A 23 8.091 -2.435 -3.522 1.00 0.00 C ATOM 348 O ALA A 23 6.987 -2.772 -3.137 1.00 0.00 O ATOM 349 CB ALA A 23 8.464 0.053 -3.625 1.00 0.00 C ATOM 0 H ALA A 23 10.743 -0.702 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 23 8.516 -1.204 -1.843 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.391 0.232 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.002 0.886 -3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.747 -0.035 -4.674 1.00 0.00 H new ATOM 355 N ALA A 24 8.706 -3.078 -4.486 1.00 0.00 N ATOM 356 CA ALA A 24 8.055 -4.256 -5.142 1.00 0.00 C ATOM 357 C ALA A 24 7.785 -5.351 -4.107 1.00 0.00 C ATOM 358 O ALA A 24 6.714 -5.927 -4.066 1.00 0.00 O ATOM 359 CB ALA A 24 9.061 -4.744 -6.187 1.00 0.00 C ATOM 0 H ALA A 24 9.630 -2.838 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 24 7.097 -3.997 -5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.652 -5.608 -6.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.258 -3.946 -6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.991 -5.025 -5.693 1.00 0.00 H new ATOM 365 N THR A 25 8.749 -5.636 -3.267 1.00 0.00 N ATOM 366 CA THR A 25 8.554 -6.689 -2.225 1.00 0.00 C ATOM 367 C THR A 25 7.640 -6.156 -1.116 1.00 0.00 C ATOM 368 O THR A 25 6.765 -6.855 -0.639 1.00 0.00 O ATOM 369 CB THR A 25 9.966 -6.991 -1.688 1.00 0.00 C ATOM 370 OG1 THR A 25 10.699 -7.700 -2.676 1.00 0.00 O ATOM 371 CG2 THR A 25 9.888 -7.839 -0.408 1.00 0.00 C ATOM 0 H THR A 25 9.663 -5.184 -3.259 1.00 0.00 H new ATOM 0 HA THR A 25 8.081 -7.588 -2.619 1.00 0.00 H new ATOM 0 HB THR A 25 10.463 -6.049 -1.455 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.599 -7.893 -2.340 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.895 -8.042 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.329 -7.296 0.354 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.384 -8.781 -0.626 1.00 0.00 H new ATOM 379 N ALA A 26 7.844 -4.932 -0.693 1.00 0.00 N ATOM 380 CA ALA A 26 6.989 -4.374 0.396 1.00 0.00 C ATOM 381 C ALA A 26 5.531 -4.336 -0.057 1.00 0.00 C ATOM 382 O ALA A 26 4.703 -5.058 0.455 1.00 0.00 O ATOM 383 CB ALA A 26 7.498 -2.954 0.656 1.00 0.00 C ATOM 0 H ALA A 26 8.560 -4.301 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 26 7.041 -4.984 1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.906 -2.495 1.448 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.544 -2.992 0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.407 -2.362 -0.255 1.00 0.00 H new ATOM 389 N GLU A 27 5.217 -3.499 -1.022 1.00 0.00 N ATOM 390 CA GLU A 27 3.804 -3.390 -1.532 1.00 0.00 C ATOM 391 C GLU A 27 3.170 -4.779 -1.715 1.00 0.00 C ATOM 392 O GLU A 27 1.978 -4.959 -1.547 1.00 0.00 O ATOM 393 CB GLU A 27 3.928 -2.671 -2.881 1.00 0.00 C ATOM 394 CG GLU A 27 2.540 -2.458 -3.493 1.00 0.00 C ATOM 395 CD GLU A 27 2.653 -2.393 -5.019 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.535 -3.041 -5.559 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.852 -1.699 -5.622 1.00 0.00 O ATOM 0 H GLU A 27 5.884 -2.880 -1.483 1.00 0.00 H new ATOM 0 HA GLU A 27 3.162 -2.854 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.426 -1.711 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.547 -3.258 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.875 -3.271 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.101 -1.536 -3.112 1.00 0.00 H new ATOM 404 N LYS A 28 3.976 -5.758 -2.025 1.00 0.00 N ATOM 405 CA LYS A 28 3.455 -7.152 -2.185 1.00 0.00 C ATOM 406 C LYS A 28 2.915 -7.615 -0.821 1.00 0.00 C ATOM 407 O LYS A 28 1.814 -8.122 -0.716 1.00 0.00 O ATOM 408 CB LYS A 28 4.691 -7.950 -2.699 1.00 0.00 C ATOM 409 CG LYS A 28 4.805 -9.364 -2.104 1.00 0.00 C ATOM 410 CD LYS A 28 6.244 -9.858 -2.285 1.00 0.00 C ATOM 411 CE LYS A 28 6.476 -11.092 -1.410 1.00 0.00 C ATOM 412 NZ LYS A 28 6.654 -10.557 -0.031 1.00 0.00 N ATOM 0 H LYS A 28 4.979 -5.654 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 28 2.626 -7.276 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.638 -8.026 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.597 -7.392 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.540 -9.352 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.108 -10.040 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.427 -10.102 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.947 -9.070 -2.014 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.630 -11.777 -1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.356 -11.647 -1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.410 -11.084 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.910 -9.550 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.766 -10.663 0.500 1.00 0.00 H new ATOM 426 N VAL A 29 3.677 -7.406 0.222 1.00 0.00 N ATOM 427 CA VAL A 29 3.211 -7.787 1.590 1.00 0.00 C ATOM 428 C VAL A 29 2.060 -6.858 1.982 1.00 0.00 C ATOM 429 O VAL A 29 1.140 -7.253 2.672 1.00 0.00 O ATOM 430 CB VAL A 29 4.443 -7.584 2.500 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.030 -7.456 3.977 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.382 -8.782 2.345 1.00 0.00 C ATOM 0 H VAL A 29 4.606 -6.986 0.185 1.00 0.00 H new ATOM 0 HA VAL A 29 2.843 -8.811 1.662 1.00 0.00 H new ATOM 0 HB VAL A 29 4.944 -6.663 2.201 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.918 -7.314 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.366 -6.600 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.513 -8.363 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.254 -8.646 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.859 -9.694 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.703 -8.861 1.306 1.00 0.00 H new ATOM 442 N LEU A 30 2.109 -5.625 1.548 1.00 0.00 N ATOM 443 CA LEU A 30 1.016 -4.676 1.898 1.00 0.00 C ATOM 444 C LEU A 30 -0.270 -5.164 1.239 1.00 0.00 C ATOM 445 O LEU A 30 -1.346 -5.034 1.783 1.00 0.00 O ATOM 446 CB LEU A 30 1.455 -3.310 1.341 1.00 0.00 C ATOM 447 CG LEU A 30 2.565 -2.623 2.199 1.00 0.00 C ATOM 448 CD1 LEU A 30 1.942 -1.714 3.251 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.480 -3.617 2.927 1.00 0.00 C ATOM 0 H LEU A 30 2.855 -5.238 0.970 1.00 0.00 H new ATOM 0 HA LEU A 30 0.833 -4.603 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.821 -3.441 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.588 -2.652 1.286 1.00 0.00 H new ATOM 0 HG LEU A 30 3.168 -2.057 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.730 -1.244 3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.347 -0.944 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.302 -2.303 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.226 -3.070 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.884 -4.235 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.980 -4.253 2.197 1.00 0.00 H new ATOM 461 N LYS A 31 -0.150 -5.772 0.083 1.00 0.00 N ATOM 462 CA LYS A 31 -1.355 -6.327 -0.607 1.00 0.00 C ATOM 463 C LYS A 31 -1.965 -7.397 0.289 1.00 0.00 C ATOM 464 O LYS A 31 -3.160 -7.453 0.501 1.00 0.00 O ATOM 465 CB LYS A 31 -0.823 -6.978 -1.886 1.00 0.00 C ATOM 466 CG LYS A 31 -1.922 -6.994 -2.955 1.00 0.00 C ATOM 467 CD LYS A 31 -2.951 -8.089 -2.634 1.00 0.00 C ATOM 468 CE LYS A 31 -2.254 -9.455 -2.560 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.012 -10.335 -3.494 1.00 0.00 N ATOM 0 H LYS A 31 0.732 -5.907 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.109 -5.569 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.045 -6.428 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.491 -7.995 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.414 -6.022 -2.997 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.483 -7.172 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.444 -7.871 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.726 -8.108 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.207 -9.379 -2.854 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.272 -9.851 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.591 -11.286 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.003 -10.396 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.972 -9.938 -4.454 1.00 0.00 H new ATOM 483 N GLN A 32 -1.123 -8.238 0.832 1.00 0.00 N ATOM 484 CA GLN A 32 -1.605 -9.316 1.747 1.00 0.00 C ATOM 485 C GLN A 32 -2.393 -8.691 2.904 1.00 0.00 C ATOM 486 O GLN A 32 -3.432 -9.182 3.300 1.00 0.00 O ATOM 487 CB GLN A 32 -0.343 -9.997 2.260 1.00 0.00 C ATOM 488 CG GLN A 32 -0.030 -11.219 1.393 1.00 0.00 C ATOM 489 CD GLN A 32 1.457 -11.559 1.507 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.947 -11.842 2.582 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.202 -11.543 0.435 1.00 0.00 N ATOM 0 H GLN A 32 -0.115 -8.224 0.680 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.267 -10.025 1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.494 -9.299 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.478 -10.300 3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.634 -12.069 1.712 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.289 -11.017 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.791 -11.306 -0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.195 -11.768 0.500 1.00 0.00 H new ATOM 500 N TYR A 33 -1.911 -7.588 3.423 1.00 0.00 N ATOM 501 CA TYR A 33 -2.635 -6.891 4.531 1.00 0.00 C ATOM 502 C TYR A 33 -4.004 -6.435 4.011 1.00 0.00 C ATOM 503 O TYR A 33 -5.006 -6.521 4.696 1.00 0.00 O ATOM 504 CB TYR A 33 -1.750 -5.688 4.888 1.00 0.00 C ATOM 505 CG TYR A 33 -2.446 -4.831 5.910 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.458 -5.230 7.244 1.00 0.00 C ATOM 507 CD2 TYR A 33 -3.088 -3.652 5.519 1.00 0.00 C ATOM 508 CE1 TYR A 33 -3.111 -4.453 8.199 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.742 -2.868 6.474 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.755 -3.268 7.817 1.00 0.00 C ATOM 511 OH TYR A 33 -4.402 -2.498 8.762 1.00 0.00 O ATOM 0 H TYR A 33 -1.045 -7.139 3.126 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.808 -7.523 5.402 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.793 -6.032 5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.537 -5.103 3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.961 -6.142 7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.079 -3.348 4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.121 -4.764 9.233 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.237 -1.955 6.177 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.794 -1.711 8.330 1.00 0.00 H new ATOM 521 N ILE A 34 -4.038 -5.965 2.794 1.00 0.00 N ATOM 522 CA ILE A 34 -5.325 -5.508 2.188 1.00 0.00 C ATOM 523 C ILE A 34 -6.246 -6.717 1.973 1.00 0.00 C ATOM 524 O ILE A 34 -7.456 -6.590 1.939 1.00 0.00 O ATOM 525 CB ILE A 34 -4.929 -4.883 0.843 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.948 -3.707 1.088 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.184 -4.419 0.085 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.685 -2.424 1.494 1.00 0.00 C ATOM 0 H ILE A 34 -3.223 -5.877 2.187 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.861 -4.799 2.819 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.426 -5.627 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.240 -3.982 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.369 -3.522 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.891 -3.977 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.836 -5.273 -0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.715 -3.677 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.962 -1.625 1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.375 -2.134 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.243 -2.600 2.414 1.00 0.00 H new ATOM 540 N ASN A 35 -5.674 -7.890 1.827 1.00 0.00 N ATOM 541 CA ASN A 35 -6.500 -9.118 1.614 1.00 0.00 C ATOM 542 C ASN A 35 -7.460 -9.324 2.790 1.00 0.00 C ATOM 543 O ASN A 35 -8.542 -9.858 2.632 1.00 0.00 O ATOM 544 CB ASN A 35 -5.494 -10.270 1.538 1.00 0.00 C ATOM 545 CG ASN A 35 -6.191 -11.524 1.009 1.00 0.00 C ATOM 546 OD1 ASN A 35 -6.929 -12.172 1.726 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.988 -11.898 -0.225 1.00 0.00 N ATOM 0 H ASN A 35 -4.666 -8.048 1.847 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.110 -9.049 0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.664 -10.000 0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.073 -10.464 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.448 -12.733 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.369 -11.355 -0.827 1.00 0.00 H new ATOM 554 N ASP A 36 -7.069 -8.901 3.965 1.00 0.00 N ATOM 555 CA ASP A 36 -7.954 -9.066 5.159 1.00 0.00 C ATOM 556 C ASP A 36 -9.102 -8.055 5.107 1.00 0.00 C ATOM 557 O ASP A 36 -10.234 -8.373 5.417 1.00 0.00 O ATOM 558 CB ASP A 36 -7.055 -8.794 6.367 1.00 0.00 C ATOM 559 CG ASP A 36 -7.780 -9.213 7.647 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.825 -8.648 7.924 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.278 -10.092 8.329 1.00 0.00 O ATOM 0 H ASP A 36 -6.174 -8.448 4.150 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.403 -10.058 5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.120 -9.345 6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.798 -7.736 6.412 1.00 0.00 H new ATOM 566 N ASN A 37 -8.814 -6.840 4.713 1.00 0.00 N ATOM 567 CA ASN A 37 -9.884 -5.800 4.633 1.00 0.00 C ATOM 568 C ASN A 37 -10.713 -5.996 3.361 1.00 0.00 C ATOM 569 O ASN A 37 -11.884 -5.669 3.317 1.00 0.00 O ATOM 570 CB ASN A 37 -9.140 -4.463 4.587 1.00 0.00 C ATOM 571 CG ASN A 37 -8.371 -4.262 5.894 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.715 -5.166 6.372 1.00 0.00 O ATOM 573 ND2 ASN A 37 -8.425 -3.106 6.497 1.00 0.00 N ATOM 0 H ASN A 37 -7.883 -6.523 4.443 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.573 -5.852 5.476 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.452 -4.446 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.847 -3.646 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.917 -2.962 7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.976 -2.347 6.096 1.00 0.00 H new ATOM 580 N GLY A 38 -10.110 -6.530 2.329 1.00 0.00 N ATOM 581 CA GLY A 38 -10.853 -6.755 1.054 1.00 0.00 C ATOM 582 C GLY A 38 -10.955 -5.440 0.280 1.00 0.00 C ATOM 583 O GLY A 38 -11.992 -5.112 -0.264 1.00 0.00 O ATOM 0 H GLY A 38 -9.132 -6.820 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.341 -7.505 0.451 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.850 -7.142 1.266 1.00 0.00 H new ATOM 587 N ILE A 39 -9.885 -4.687 0.228 1.00 0.00 N ATOM 588 CA ILE A 39 -9.914 -3.389 -0.513 1.00 0.00 C ATOM 589 C ILE A 39 -8.806 -3.360 -1.571 1.00 0.00 C ATOM 590 O ILE A 39 -7.777 -2.740 -1.384 1.00 0.00 O ATOM 591 CB ILE A 39 -9.673 -2.313 0.555 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.777 -2.378 1.626 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.674 -0.925 -0.095 1.00 0.00 C ATOM 594 CD1 ILE A 39 -12.155 -2.157 0.987 1.00 0.00 C ATOM 0 H ILE A 39 -8.993 -4.915 0.667 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.857 -3.233 -1.038 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.706 -2.493 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.752 -3.347 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.597 -1.621 2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.503 -0.166 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.883 -0.873 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.637 -0.748 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.925 -2.206 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.182 -1.178 0.509 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.338 -2.930 0.241 1.00 0.00 H new ATOM 606 N ASP A 40 -9.013 -4.025 -2.679 1.00 0.00 N ATOM 607 CA ASP A 40 -7.977 -4.039 -3.755 1.00 0.00 C ATOM 608 C ASP A 40 -8.545 -3.435 -5.043 1.00 0.00 C ATOM 609 O ASP A 40 -9.590 -3.838 -5.518 1.00 0.00 O ATOM 610 CB ASP A 40 -7.638 -5.516 -3.960 1.00 0.00 C ATOM 611 CG ASP A 40 -6.311 -5.636 -4.710 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.360 -4.992 -4.298 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.267 -6.369 -5.684 1.00 0.00 O ATOM 0 H ASP A 40 -9.857 -4.560 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.098 -3.452 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.570 -6.022 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.432 -6.007 -4.523 1.00 0.00 H new ATOM 618 N GLY A 41 -7.862 -2.470 -5.607 1.00 0.00 N ATOM 619 CA GLY A 41 -8.356 -1.833 -6.864 1.00 0.00 C ATOM 620 C GLY A 41 -7.184 -1.199 -7.615 1.00 0.00 C ATOM 621 O GLY A 41 -6.505 -1.852 -8.385 1.00 0.00 O ATOM 0 H GLY A 41 -6.983 -2.096 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.844 -2.578 -7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.103 -1.075 -6.630 1.00 0.00 H new ATOM 625 N GLU A 42 -6.945 0.070 -7.398 1.00 0.00 N ATOM 626 CA GLU A 42 -5.819 0.757 -8.100 1.00 0.00 C ATOM 627 C GLU A 42 -4.830 1.332 -7.085 1.00 0.00 C ATOM 628 O GLU A 42 -5.182 2.151 -6.257 1.00 0.00 O ATOM 629 CB GLU A 42 -6.479 1.881 -8.899 1.00 0.00 C ATOM 630 CG GLU A 42 -6.829 1.375 -10.300 1.00 0.00 C ATOM 631 CD GLU A 42 -8.032 2.152 -10.838 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.107 2.000 -10.281 1.00 0.00 O ATOM 633 OE2 GLU A 42 -7.859 2.885 -11.797 1.00 0.00 O ATOM 0 H GLU A 42 -7.483 0.661 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.256 0.076 -8.738 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.379 2.223 -8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.807 2.736 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.975 1.499 -10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.056 0.309 -10.267 1.00 0.00 H new ATOM 640 N TRP A 43 -3.592 0.907 -7.146 1.00 0.00 N ATOM 641 CA TRP A 43 -2.570 1.425 -6.189 1.00 0.00 C ATOM 642 C TRP A 43 -1.696 2.476 -6.873 1.00 0.00 C ATOM 643 O TRP A 43 -0.639 2.166 -7.393 1.00 0.00 O ATOM 644 CB TRP A 43 -1.702 0.223 -5.805 1.00 0.00 C ATOM 645 CG TRP A 43 -2.427 -0.714 -4.894 1.00 0.00 C ATOM 646 CD1 TRP A 43 -3.748 -1.013 -4.926 1.00 0.00 C ATOM 647 CD2 TRP A 43 -1.863 -1.490 -3.812 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.015 -1.945 -3.943 1.00 0.00 N ATOM 649 CE2 TRP A 43 -2.885 -2.261 -3.221 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.566 -1.594 -3.297 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.629 -3.110 -2.150 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.299 -2.445 -2.214 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.330 -3.201 -1.641 1.00 0.00 C ATOM 0 H TRP A 43 -3.246 0.223 -7.819 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.041 1.886 -5.320 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.397 -0.309 -6.706 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.792 0.572 -5.318 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.472 -0.592 -5.608 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -4.936 -2.350 -3.772 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.234 -1.016 -3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.427 -3.694 -1.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.704 -2.518 -1.821 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.121 -3.854 -0.806 1.00 0.00 H new ATOM 664 N THR A 44 -2.115 3.715 -6.872 1.00 0.00 N ATOM 665 CA THR A 44 -1.287 4.777 -7.519 1.00 0.00 C ATOM 666 C THR A 44 0.069 4.869 -6.815 1.00 0.00 C ATOM 667 O THR A 44 0.146 4.925 -5.602 1.00 0.00 O ATOM 668 CB THR A 44 -2.074 6.075 -7.351 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.274 6.333 -5.969 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.429 5.946 -8.052 1.00 0.00 C ATOM 0 H THR A 44 -2.988 4.036 -6.454 1.00 0.00 H new ATOM 0 HA THR A 44 -1.094 4.568 -8.571 1.00 0.00 H new ATOM 0 HB THR A 44 -1.515 6.899 -7.795 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.162 7.291 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.990 6.873 -7.932 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.273 5.751 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.990 5.122 -7.611 1.00 0.00 H new ATOM 678 N TYR A 45 1.133 4.868 -7.570 1.00 0.00 N ATOM 679 CA TYR A 45 2.494 4.937 -6.958 1.00 0.00 C ATOM 680 C TYR A 45 3.032 6.372 -7.021 1.00 0.00 C ATOM 681 O TYR A 45 2.568 7.182 -7.802 1.00 0.00 O ATOM 682 CB TYR A 45 3.352 4.003 -7.815 1.00 0.00 C ATOM 683 CG TYR A 45 4.758 3.948 -7.266 1.00 0.00 C ATOM 684 CD1 TYR A 45 4.975 3.617 -5.924 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.845 4.229 -8.102 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.279 3.566 -5.417 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.149 4.178 -7.596 1.00 0.00 C ATOM 688 CZ TYR A 45 7.366 3.846 -6.253 1.00 0.00 C ATOM 689 OH TYR A 45 8.651 3.796 -5.754 1.00 0.00 O ATOM 0 H TYR A 45 1.120 4.822 -8.589 1.00 0.00 H new ATOM 0 HA TYR A 45 2.494 4.647 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.917 3.004 -7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.369 4.355 -8.847 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.136 3.401 -5.279 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.677 4.485 -9.138 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.446 3.311 -4.381 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.988 4.395 -8.241 1.00 0.00 H new ATOM 0 HH TYR A 45 9.287 4.016 -6.466 1.00 0.00 H new ATOM 699 N ASP A 46 4.012 6.686 -6.211 1.00 0.00 N ATOM 700 CA ASP A 46 4.592 8.065 -6.226 1.00 0.00 C ATOM 701 C ASP A 46 6.033 8.041 -5.701 1.00 0.00 C ATOM 702 O ASP A 46 6.293 7.634 -4.583 1.00 0.00 O ATOM 703 CB ASP A 46 3.688 8.900 -5.311 1.00 0.00 C ATOM 704 CG ASP A 46 3.650 8.291 -3.908 1.00 0.00 C ATOM 705 OD1 ASP A 46 4.534 8.598 -3.126 1.00 0.00 O ATOM 706 OD2 ASP A 46 2.734 7.532 -3.638 1.00 0.00 O ATOM 0 H ASP A 46 4.436 6.046 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 46 4.632 8.482 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.056 9.925 -5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.680 8.943 -5.724 1.00 0.00 H new ATOM 711 N ASP A 47 6.969 8.472 -6.508 1.00 0.00 N ATOM 712 CA ASP A 47 8.400 8.478 -6.075 1.00 0.00 C ATOM 713 C ASP A 47 8.710 9.706 -5.203 1.00 0.00 C ATOM 714 O ASP A 47 9.719 9.749 -4.525 1.00 0.00 O ATOM 715 CB ASP A 47 9.212 8.511 -7.378 1.00 0.00 C ATOM 716 CG ASP A 47 8.931 9.804 -8.160 1.00 0.00 C ATOM 717 OD1 ASP A 47 7.888 10.400 -7.942 1.00 0.00 O ATOM 718 OD2 ASP A 47 9.768 10.175 -8.966 1.00 0.00 O ATOM 0 H ASP A 47 6.803 8.821 -7.452 1.00 0.00 H new ATOM 0 HA ASP A 47 8.642 7.607 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.276 8.441 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.959 7.646 -7.992 1.00 0.00 H new ATOM 723 N ALA A 48 7.855 10.704 -5.217 1.00 0.00 N ATOM 724 CA ALA A 48 8.109 11.929 -4.390 1.00 0.00 C ATOM 725 C ALA A 48 8.290 11.555 -2.914 1.00 0.00 C ATOM 726 O ALA A 48 8.978 12.233 -2.174 1.00 0.00 O ATOM 727 CB ALA A 48 6.865 12.801 -4.569 1.00 0.00 C ATOM 0 H ALA A 48 6.994 10.723 -5.764 1.00 0.00 H new ATOM 0 HA ALA A 48 9.018 12.445 -4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.978 13.718 -3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.743 13.049 -5.623 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.987 12.258 -4.220 1.00 0.00 H new ATOM 733 N THR A 49 7.676 10.481 -2.485 1.00 0.00 N ATOM 734 CA THR A 49 7.807 10.055 -1.059 1.00 0.00 C ATOM 735 C THR A 49 7.626 8.538 -0.936 1.00 0.00 C ATOM 736 O THR A 49 7.159 8.048 0.071 1.00 0.00 O ATOM 737 CB THR A 49 6.694 10.801 -0.312 1.00 0.00 C ATOM 738 OG1 THR A 49 6.719 10.430 1.059 1.00 0.00 O ATOM 739 CG2 THR A 49 5.327 10.450 -0.911 1.00 0.00 C ATOM 0 H THR A 49 7.088 9.880 -3.063 1.00 0.00 H new ATOM 0 HA THR A 49 8.791 10.286 -0.650 1.00 0.00 H new ATOM 0 HB THR A 49 6.857 11.874 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.914 9.473 1.135 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.545 10.986 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.306 10.738 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.157 9.377 -0.825 1.00 0.00 H new ATOM 747 N LYS A 50 7.996 7.805 -1.965 1.00 0.00 N ATOM 748 CA LYS A 50 7.871 6.301 -1.973 1.00 0.00 C ATOM 749 C LYS A 50 6.569 5.815 -1.312 1.00 0.00 C ATOM 750 O LYS A 50 6.520 4.746 -0.733 1.00 0.00 O ATOM 751 CB LYS A 50 9.123 5.765 -1.244 1.00 0.00 C ATOM 752 CG LYS A 50 9.069 6.022 0.274 1.00 0.00 C ATOM 753 CD LYS A 50 9.853 7.295 0.612 1.00 0.00 C ATOM 754 CE LYS A 50 11.248 6.923 1.125 1.00 0.00 C ATOM 755 NZ LYS A 50 11.166 7.071 2.605 1.00 0.00 N ATOM 0 H LYS A 50 8.389 8.194 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 50 7.818 5.925 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.217 4.694 -1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.013 6.238 -1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.033 6.125 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.489 5.172 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.937 7.927 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.319 7.872 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.513 5.904 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.011 7.578 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.106 6.916 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.837 8.029 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.498 6.372 2.987 1.00 0.00 H new ATOM 769 N THR A 51 5.521 6.593 -1.401 1.00 0.00 N ATOM 770 CA THR A 51 4.224 6.182 -0.787 1.00 0.00 C ATOM 771 C THR A 51 3.395 5.393 -1.805 1.00 0.00 C ATOM 772 O THR A 51 3.719 5.349 -2.978 1.00 0.00 O ATOM 773 CB THR A 51 3.527 7.493 -0.415 1.00 0.00 C ATOM 774 OG1 THR A 51 4.361 8.237 0.462 1.00 0.00 O ATOM 775 CG2 THR A 51 2.197 7.192 0.279 1.00 0.00 C ATOM 0 H THR A 51 5.508 7.497 -1.873 1.00 0.00 H new ATOM 0 HA THR A 51 4.357 5.538 0.082 1.00 0.00 H new ATOM 0 HB THR A 51 3.338 8.071 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.886 9.039 0.763 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.704 8.128 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.557 6.621 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.382 6.612 1.183 1.00 0.00 H new ATOM 783 N TRP A 52 2.335 4.764 -1.365 1.00 0.00 N ATOM 784 CA TRP A 52 1.487 3.969 -2.301 1.00 0.00 C ATOM 785 C TRP A 52 0.007 4.280 -2.083 1.00 0.00 C ATOM 786 O TRP A 52 -0.348 5.182 -1.348 1.00 0.00 O ATOM 787 CB TRP A 52 1.754 2.512 -1.941 1.00 0.00 C ATOM 788 CG TRP A 52 3.028 2.049 -2.563 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.234 2.022 -1.956 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.229 1.531 -3.900 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.171 1.531 -2.850 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.595 1.213 -4.065 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.359 1.317 -4.974 1.00 0.00 C ATOM 794 CZ2 TRP A 52 5.083 0.695 -5.266 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.840 0.796 -6.186 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.201 0.486 -6.332 1.00 0.00 C ATOM 0 H TRP A 52 2.020 4.767 -0.395 1.00 0.00 H new ATOM 0 HA TRP A 52 1.720 4.196 -3.341 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.810 2.402 -0.858 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.927 1.889 -2.282 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.435 2.332 -0.941 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.162 1.418 -2.638 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.310 1.554 -4.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.131 0.458 -5.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.160 0.633 -7.009 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.567 0.087 -7.266 1.00 0.00 H new ATOM 807 N THR A 53 -0.858 3.522 -2.710 1.00 0.00 N ATOM 808 CA THR A 53 -2.323 3.746 -2.541 1.00 0.00 C ATOM 809 C THR A 53 -3.089 2.452 -2.839 1.00 0.00 C ATOM 810 O THR A 53 -2.507 1.443 -3.189 1.00 0.00 O ATOM 811 CB THR A 53 -2.694 4.841 -3.548 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.651 5.805 -3.617 1.00 0.00 O ATOM 813 CG2 THR A 53 -3.989 5.525 -3.109 1.00 0.00 C ATOM 0 H THR A 53 -0.609 2.755 -3.334 1.00 0.00 H new ATOM 0 HA THR A 53 -2.577 4.042 -1.523 1.00 0.00 H new ATOM 0 HB THR A 53 -2.835 4.390 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.421 5.972 -4.555 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.251 6.303 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.792 4.789 -3.063 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.849 5.971 -2.124 1.00 0.00 H new ATOM 821 N VAL A 54 -4.391 2.473 -2.689 1.00 0.00 N ATOM 822 CA VAL A 54 -5.218 1.245 -2.949 1.00 0.00 C ATOM 823 C VAL A 54 -6.706 1.587 -2.772 1.00 0.00 C ATOM 824 O VAL A 54 -7.273 1.402 -1.712 1.00 0.00 O ATOM 825 CB VAL A 54 -4.748 0.186 -1.915 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.678 0.802 -0.523 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.713 -1.007 -1.870 1.00 0.00 C ATOM 0 H VAL A 54 -4.923 3.292 -2.396 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.095 0.865 -3.963 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.761 -0.159 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.347 0.049 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.972 1.633 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.665 1.166 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.360 -1.733 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.707 -0.660 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.758 -1.476 -2.853 1.00 0.00 H new ATOM 837 N THR A 55 -7.333 2.083 -3.808 1.00 0.00 N ATOM 838 CA THR A 55 -8.780 2.441 -3.717 1.00 0.00 C ATOM 839 C THR A 55 -9.646 1.275 -4.200 1.00 0.00 C ATOM 840 O THR A 55 -9.347 0.640 -5.194 1.00 0.00 O ATOM 841 CB THR A 55 -8.945 3.650 -4.639 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.907 4.585 -4.380 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.302 4.307 -4.384 1.00 0.00 C ATOM 0 H THR A 55 -6.903 2.256 -4.717 1.00 0.00 H new ATOM 0 HA THR A 55 -9.088 2.661 -2.695 1.00 0.00 H new ATOM 0 HB THR A 55 -8.891 3.326 -5.678 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.010 5.360 -4.971 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.418 5.168 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.097 3.589 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.359 4.633 -3.345 1.00 0.00 H new ATOM 851 N GLU A 56 -10.719 0.993 -3.504 1.00 0.00 N ATOM 852 CA GLU A 56 -11.612 -0.132 -3.919 1.00 0.00 C ATOM 853 C GLU A 56 -12.394 0.252 -5.178 1.00 0.00 C ATOM 854 O GLU A 56 -12.315 -0.484 -6.148 1.00 0.00 O ATOM 855 CB GLU A 56 -12.566 -0.346 -2.742 1.00 0.00 C ATOM 856 CG GLU A 56 -13.016 -1.808 -2.707 1.00 0.00 C ATOM 857 CD GLU A 56 -13.869 -2.109 -3.941 1.00 0.00 C ATOM 858 OE1 GLU A 56 -14.695 -1.278 -4.283 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.683 -3.165 -4.522 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.058 1.275 -5.151 1.00 0.00 O ATOM 0 H GLU A 56 -11.015 1.493 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.050 -1.036 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.071 -0.085 -1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.432 0.309 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.148 -2.466 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.589 -2.002 -1.800 1.00 0.00 H new TER 867 GLU A 56