USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 63 GLN : amide:sc= 1.43 K(o=2.3,f=0.29!) USER MOD Set 1.2: A 65 GLN : amide:sc= 0.856 K(o=2.3,f=0.29) USER MOD Set 2.1: A 1 MET CE :methyl -170:sc= -0.775 (180deg=-1.35) USER MOD Set 2.2: A 15 MET CE :methyl -141:sc=-0.00691 (180deg=-0.241) USER MOD Single : A 1 MET N :NH3+ 174:sc= 2.15 (180deg=2.11) USER MOD Single : A 7 ASN : amide:sc= 0.899 K(o=0.9,f=-9.1!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0181 X(o=-0.018,f=-0.018) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= 1.28 (180deg=1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -30:sc= 0.184 USER MOD Single : A 17 TYR OH : rot 114:sc= 0.319 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.93 K(o=1.9,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00796 USER MOD Single : A 45 MET CE :methyl -155:sc= 0 (180deg=-0.132) USER MOD Single : A 49 HIS : no HD1:sc= -0.159 X(o=-0.16,f=-0.0061) USER MOD Single : A 69 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0031) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.794 USER MOD Single : A 77 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.125 0.563 -5.481 1.00 0.00 N ATOM 2 CA MET A 1 5.105 -0.507 -5.306 1.00 0.00 C ATOM 3 C MET A 1 3.735 0.033 -5.736 1.00 0.00 C ATOM 4 O MET A 1 3.389 1.181 -5.455 1.00 0.00 O ATOM 5 CB MET A 1 5.113 -1.071 -3.875 1.00 0.00 C ATOM 6 CG MET A 1 4.102 -2.193 -3.627 1.00 0.00 C ATOM 7 SD MET A 1 4.226 -2.853 -1.946 1.00 0.00 S ATOM 8 CE MET A 1 3.357 -4.420 -2.186 1.00 0.00 C ATOM 0 H1 MET A 1 7.036 0.240 -5.097 1.00 0.00 H new ATOM 0 H2 MET A 1 6.232 0.778 -6.493 1.00 0.00 H new ATOM 0 H3 MET A 1 5.820 1.419 -4.975 1.00 0.00 H new ATOM 0 HA MET A 1 5.349 -1.354 -5.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.112 -1.444 -3.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.913 -0.258 -3.177 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.093 -1.817 -3.796 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.267 -2.996 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.177 -4.888 -1.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.405 -4.235 -2.683 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.965 -5.083 -2.802 1.00 0.00 H new ATOM 20 N GLU A 2 2.977 -0.781 -6.472 1.00 0.00 N ATOM 21 CA GLU A 2 2.077 -0.332 -7.528 1.00 0.00 C ATOM 22 C GLU A 2 0.796 -1.175 -7.418 1.00 0.00 C ATOM 23 O GLU A 2 0.663 -2.192 -8.096 1.00 0.00 O ATOM 24 CB GLU A 2 2.842 -0.495 -8.875 1.00 0.00 C ATOM 25 CG GLU A 2 3.376 0.812 -9.481 1.00 0.00 C ATOM 26 CD GLU A 2 4.420 1.537 -8.609 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.399 0.898 -8.153 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.269 2.761 -8.381 1.00 0.00 O ATOM 0 H GLU A 2 2.974 -1.793 -6.345 1.00 0.00 H new ATOM 0 HA GLU A 2 1.778 0.713 -7.453 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.680 -1.175 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.177 -0.968 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.820 0.593 -10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.538 1.485 -9.658 1.00 0.00 H new ATOM 35 N ILE A 3 -0.084 -0.834 -6.464 1.00 0.00 N ATOM 36 CA ILE A 3 -1.347 -1.547 -6.212 1.00 0.00 C ATOM 37 C ILE A 3 -2.303 -1.338 -7.410 1.00 0.00 C ATOM 38 O ILE A 3 -2.254 -0.293 -8.067 1.00 0.00 O ATOM 39 CB ILE A 3 -1.999 -1.075 -4.888 1.00 0.00 C ATOM 40 CG1 ILE A 3 -1.019 -0.963 -3.698 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.165 -2.002 -4.467 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.241 -2.216 -3.285 1.00 0.00 C ATOM 0 H ILE A 3 0.064 -0.044 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.139 -2.612 -6.107 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.363 -0.073 -5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.295 -0.183 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.584 -0.621 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.599 -1.641 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.928 -2.003 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.791 -3.016 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.404 -1.981 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.941 -3.002 -3.001 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.369 -2.558 -4.121 1.00 0.00 H new ATOM 54 N GLU A 4 -3.229 -2.274 -7.647 1.00 0.00 N ATOM 55 CA GLU A 4 -4.301 -2.179 -8.623 1.00 0.00 C ATOM 56 C GLU A 4 -5.581 -2.832 -8.075 1.00 0.00 C ATOM 57 O GLU A 4 -5.519 -3.796 -7.308 1.00 0.00 O ATOM 58 CB GLU A 4 -3.847 -2.911 -9.886 1.00 0.00 C ATOM 59 CG GLU A 4 -4.832 -2.807 -11.045 1.00 0.00 C ATOM 60 CD GLU A 4 -5.123 -1.356 -11.467 1.00 0.00 C ATOM 61 OE1 GLU A 4 -6.033 -0.736 -10.863 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.454 -0.836 -12.393 1.00 0.00 O ATOM 0 H GLU A 4 -3.245 -3.156 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.520 -1.134 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.885 -2.508 -10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.690 -3.963 -9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.435 -3.354 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.767 -3.291 -10.763 1.00 0.00 H new ATOM 69 N ARG A 5 -6.739 -2.366 -8.545 1.00 0.00 N ATOM 70 CA ARG A 5 -8.070 -2.869 -8.201 1.00 0.00 C ATOM 71 C ARG A 5 -8.661 -3.467 -9.482 1.00 0.00 C ATOM 72 O ARG A 5 -9.254 -2.742 -10.283 1.00 0.00 O ATOM 73 CB ARG A 5 -8.906 -1.699 -7.634 1.00 0.00 C ATOM 74 CG ARG A 5 -10.296 -2.095 -7.098 1.00 0.00 C ATOM 75 CD ARG A 5 -10.277 -2.903 -5.791 1.00 0.00 C ATOM 76 NE ARG A 5 -9.613 -2.160 -4.699 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.193 -1.265 -3.880 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.502 -1.052 -3.888 1.00 0.00 N ATOM 79 NH2 ARG A 5 -9.444 -0.564 -3.037 1.00 0.00 N ATOM 0 H ARG A 5 -6.776 -1.591 -9.207 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.051 -3.643 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.343 -1.226 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.034 -0.950 -8.416 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.880 -1.189 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.812 -2.678 -7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.299 -3.145 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.760 -3.848 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.620 -2.344 -4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.100 -1.574 -4.528 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -11.911 -0.366 -3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.434 -0.706 -3.013 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.878 0.116 -2.413 1.00 0.00 H new ATOM 93 N ILE A 6 -8.446 -4.769 -9.714 1.00 0.00 N ATOM 94 CA ILE A 6 -8.940 -5.460 -10.909 1.00 0.00 C ATOM 95 C ILE A 6 -10.464 -5.327 -10.968 1.00 0.00 C ATOM 96 O ILE A 6 -11.044 -4.889 -11.964 1.00 0.00 O ATOM 97 CB ILE A 6 -8.533 -6.944 -10.840 1.00 0.00 C ATOM 98 CG1 ILE A 6 -7.017 -7.125 -10.654 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.048 -7.733 -12.057 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.148 -6.410 -11.691 1.00 0.00 C ATOM 0 H ILE A 6 -7.924 -5.371 -9.077 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.509 -5.017 -11.807 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.013 -7.357 -9.953 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.742 -6.766 -9.662 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.787 -8.190 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.741 -8.775 -11.972 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.136 -7.677 -12.093 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.633 -7.306 -12.970 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.096 -6.597 -11.476 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.387 -6.785 -12.686 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.341 -5.338 -11.651 1.00 0.00 H new ATOM 112 N ASN A 7 -11.084 -5.717 -9.860 1.00 0.00 N ATOM 113 CA ASN A 7 -12.502 -5.615 -9.554 1.00 0.00 C ATOM 114 C ASN A 7 -12.586 -5.500 -8.028 1.00 0.00 C ATOM 115 O ASN A 7 -11.563 -5.288 -7.373 1.00 0.00 O ATOM 116 CB ASN A 7 -13.286 -6.810 -10.150 1.00 0.00 C ATOM 117 CG ASN A 7 -13.113 -8.153 -9.441 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.318 -8.298 -8.524 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.857 -9.169 -9.832 1.00 0.00 N ATOM 0 H ASN A 7 -10.565 -6.146 -9.094 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.973 -4.743 -10.009 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.346 -6.557 -10.151 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.986 -6.931 -11.191 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.768 -10.074 -9.369 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.521 -9.050 -10.597 1.00 0.00 H new ATOM 126 N GLU A 8 -13.773 -5.618 -7.432 1.00 0.00 N ATOM 127 CA GLU A 8 -13.926 -5.355 -5.999 1.00 0.00 C ATOM 128 C GLU A 8 -13.432 -6.508 -5.101 1.00 0.00 C ATOM 129 O GLU A 8 -13.596 -6.459 -3.880 1.00 0.00 O ATOM 130 CB GLU A 8 -15.385 -4.964 -5.711 1.00 0.00 C ATOM 131 CG GLU A 8 -15.484 -3.897 -4.613 1.00 0.00 C ATOM 132 CD GLU A 8 -14.972 -2.521 -5.088 1.00 0.00 C ATOM 133 OE1 GLU A 8 -13.749 -2.251 -4.987 1.00 0.00 O ATOM 134 OE2 GLU A 8 -15.794 -1.696 -5.559 1.00 0.00 O ATOM 0 H GLU A 8 -14.632 -5.890 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.275 -4.520 -5.740 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.848 -4.590 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.945 -5.849 -5.409 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.521 -3.805 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.908 -4.217 -3.745 1.00 0.00 H new ATOM 141 N HIS A 9 -12.834 -7.551 -5.687 1.00 0.00 N ATOM 142 CA HIS A 9 -12.480 -8.792 -4.998 1.00 0.00 C ATOM 143 C HIS A 9 -11.025 -9.176 -5.288 1.00 0.00 C ATOM 144 O HIS A 9 -10.240 -9.325 -4.351 1.00 0.00 O ATOM 145 CB HIS A 9 -13.469 -9.895 -5.423 1.00 0.00 C ATOM 146 CG HIS A 9 -14.925 -9.477 -5.409 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.742 -9.374 -6.515 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.659 -9.069 -4.326 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.935 -8.916 -6.104 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.939 -8.709 -4.775 1.00 0.00 N ATOM 0 H HIS A 9 -12.578 -7.554 -6.674 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.556 -8.656 -3.919 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.210 -10.229 -6.428 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.344 -10.751 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.312 -9.031 -3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.779 -8.738 -6.754 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.714 -8.362 -4.209 1.00 0.00 H new ATOM 158 N THR A 10 -10.641 -9.298 -6.558 1.00 0.00 N ATOM 159 CA THR A 10 -9.256 -9.476 -6.956 1.00 0.00 C ATOM 160 C THR A 10 -8.554 -8.124 -6.872 1.00 0.00 C ATOM 161 O THR A 10 -9.059 -7.107 -7.356 1.00 0.00 O ATOM 162 CB THR A 10 -9.178 -10.061 -8.378 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.896 -11.288 -8.389 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.742 -10.345 -8.850 1.00 0.00 C ATOM 0 H THR A 10 -11.293 -9.275 -7.342 1.00 0.00 H new ATOM 0 HA THR A 10 -8.759 -10.181 -6.289 1.00 0.00 H new ATOM 0 HB THR A 10 -9.599 -9.318 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.862 -11.679 -9.287 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.765 -10.755 -9.860 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.168 -9.418 -8.848 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.273 -11.063 -8.177 1.00 0.00 H new ATOM 172 N VAL A 11 -7.329 -8.142 -6.365 1.00 0.00 N ATOM 173 CA VAL A 11 -6.388 -7.042 -6.458 1.00 0.00 C ATOM 174 C VAL A 11 -5.125 -7.619 -7.081 1.00 0.00 C ATOM 175 O VAL A 11 -4.902 -8.831 -7.059 1.00 0.00 O ATOM 176 CB VAL A 11 -6.153 -6.387 -5.075 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.419 -5.670 -4.585 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.698 -7.378 -3.990 1.00 0.00 C ATOM 0 H VAL A 11 -6.955 -8.948 -5.864 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.766 -6.231 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.344 -5.673 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.228 -5.218 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.696 -4.893 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.234 -6.389 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.554 -6.847 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.458 -8.148 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.759 -7.843 -4.292 1.00 0.00 H new ATOM 188 N LYS A 12 -4.271 -6.768 -7.631 1.00 0.00 N ATOM 189 CA LYS A 12 -2.893 -7.163 -7.866 1.00 0.00 C ATOM 190 C LYS A 12 -2.017 -6.031 -7.390 1.00 0.00 C ATOM 191 O LYS A 12 -2.509 -4.936 -7.126 1.00 0.00 O ATOM 192 CB LYS A 12 -2.660 -7.590 -9.328 1.00 0.00 C ATOM 193 CG LYS A 12 -2.517 -6.477 -10.360 1.00 0.00 C ATOM 194 CD LYS A 12 -2.203 -7.084 -11.737 1.00 0.00 C ATOM 195 CE LYS A 12 -2.028 -5.941 -12.735 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.489 -6.396 -14.043 1.00 0.00 N ATOM 0 H LYS A 12 -4.503 -5.817 -7.918 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.633 -8.058 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.759 -8.202 -9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.490 -8.228 -9.631 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.437 -5.894 -10.410 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.722 -5.793 -10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.297 -7.688 -11.688 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.010 -7.745 -12.054 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.990 -5.453 -12.893 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.357 -5.194 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.595 -5.637 -14.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.482 -6.633 -13.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.012 -7.237 -14.360 1.00 0.00 H new ATOM 210 N PHE A 13 -0.725 -6.273 -7.305 1.00 0.00 N ATOM 211 CA PHE A 13 0.239 -5.232 -7.058 1.00 0.00 C ATOM 212 C PHE A 13 1.528 -5.623 -7.750 1.00 0.00 C ATOM 213 O PHE A 13 1.907 -6.794 -7.760 1.00 0.00 O ATOM 214 CB PHE A 13 0.423 -5.026 -5.551 1.00 0.00 C ATOM 215 CG PHE A 13 0.844 -6.254 -4.774 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.112 -7.178 -4.318 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.205 -6.451 -4.488 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.297 -8.275 -3.537 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.608 -7.529 -3.683 1.00 0.00 C ATOM 220 CZ PHE A 13 1.645 -8.424 -3.181 1.00 0.00 C ATOM 0 H PHE A 13 -0.317 -7.202 -7.406 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.102 -4.277 -7.459 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.169 -4.246 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.515 -4.657 -5.135 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.155 -7.047 -4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.943 -5.772 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.430 -9.004 -3.211 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.653 -7.671 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.944 -9.225 -2.522 1.00 0.00 H new ATOM 230 N TYR A 14 2.219 -4.643 -8.312 1.00 0.00 N ATOM 231 CA TYR A 14 3.587 -4.818 -8.733 1.00 0.00 C ATOM 232 C TYR A 14 4.471 -4.345 -7.583 1.00 0.00 C ATOM 233 O TYR A 14 4.178 -3.332 -6.939 1.00 0.00 O ATOM 234 CB TYR A 14 3.795 -4.060 -10.043 1.00 0.00 C ATOM 235 CG TYR A 14 5.247 -3.991 -10.420 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.865 -5.128 -10.957 1.00 0.00 C ATOM 237 CD2 TYR A 14 5.994 -2.839 -10.122 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.236 -5.123 -11.240 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.382 -2.837 -10.363 1.00 0.00 C ATOM 240 CZ TYR A 14 8.005 -3.967 -10.949 1.00 0.00 C ATOM 241 OH TYR A 14 9.338 -3.931 -11.239 1.00 0.00 O ATOM 0 H TYR A 14 1.843 -3.711 -8.485 1.00 0.00 H new ATOM 0 HA TYR A 14 3.848 -5.855 -8.943 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.235 -4.550 -10.840 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.396 -3.050 -9.947 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.280 -6.014 -11.154 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.510 -1.965 -9.713 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.705 -5.993 -11.677 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.973 -1.972 -10.100 1.00 0.00 H new ATOM 0 HH TYR A 14 9.707 -3.063 -10.974 1.00 0.00 H new ATOM 251 N MET A 15 5.536 -5.085 -7.296 1.00 0.00 N ATOM 252 CA MET A 15 6.421 -4.860 -6.173 1.00 0.00 C ATOM 253 C MET A 15 7.840 -4.891 -6.704 1.00 0.00 C ATOM 254 O MET A 15 8.286 -5.920 -7.206 1.00 0.00 O ATOM 255 CB MET A 15 6.199 -5.974 -5.146 1.00 0.00 C ATOM 256 CG MET A 15 6.896 -5.690 -3.835 1.00 0.00 C ATOM 257 SD MET A 15 6.433 -6.864 -2.542 1.00 0.00 S ATOM 258 CE MET A 15 6.610 -5.804 -1.083 1.00 0.00 C ATOM 0 H MET A 15 5.812 -5.886 -7.864 1.00 0.00 H new ATOM 0 HA MET A 15 6.230 -3.902 -5.690 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.130 -6.094 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.563 -6.918 -5.552 1.00 0.00 H new ATOM 0 HG2 MET A 15 7.975 -5.725 -3.985 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.653 -4.679 -3.508 1.00 0.00 H new ATOM 0 HE1 MET A 15 7.042 -6.380 -0.265 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.263 -4.964 -1.320 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.631 -5.429 -0.785 1.00 0.00 H new ATOM 268 N SER A 16 8.553 -3.778 -6.604 1.00 0.00 N ATOM 269 CA SER A 16 9.945 -3.735 -7.036 1.00 0.00 C ATOM 270 C SER A 16 10.810 -4.432 -5.982 1.00 0.00 C ATOM 271 O SER A 16 10.456 -4.437 -4.801 1.00 0.00 O ATOM 272 CB SER A 16 10.373 -2.278 -7.253 1.00 0.00 C ATOM 273 OG SER A 16 9.366 -1.527 -7.920 1.00 0.00 O ATOM 0 H SER A 16 8.195 -2.899 -6.231 1.00 0.00 H new ATOM 0 HA SER A 16 10.070 -4.258 -7.984 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.593 -1.816 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.293 -2.252 -7.837 1.00 0.00 H new ATOM 0 HG SER A 16 8.856 -2.118 -8.513 1.00 0.00 H new ATOM 279 N TYR A 17 11.970 -4.973 -6.366 1.00 0.00 N ATOM 280 CA TYR A 17 12.883 -5.612 -5.413 1.00 0.00 C ATOM 281 C TYR A 17 13.290 -4.670 -4.284 1.00 0.00 C ATOM 282 O TYR A 17 13.322 -5.074 -3.123 1.00 0.00 O ATOM 283 CB TYR A 17 14.123 -6.159 -6.130 1.00 0.00 C ATOM 284 CG TYR A 17 13.857 -7.213 -7.187 1.00 0.00 C ATOM 285 CD1 TYR A 17 12.832 -8.163 -7.021 1.00 0.00 C ATOM 286 CD2 TYR A 17 14.656 -7.248 -8.344 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.623 -9.150 -7.995 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.439 -8.226 -9.330 1.00 0.00 C ATOM 289 CZ TYR A 17 13.424 -9.198 -9.155 1.00 0.00 C ATOM 290 OH TYR A 17 13.212 -10.183 -10.072 1.00 0.00 O ATOM 0 H TYR A 17 12.299 -4.981 -7.331 1.00 0.00 H new ATOM 0 HA TYR A 17 12.342 -6.444 -4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.647 -5.326 -6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.796 -6.581 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.205 -8.132 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.441 -6.519 -8.476 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.840 -9.881 -7.855 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.047 -8.236 -10.222 1.00 0.00 H new ATOM 0 HH TYR A 17 12.880 -9.788 -10.905 1.00 0.00 H new ATOM 300 N GLY A 18 13.521 -3.394 -4.590 1.00 0.00 N ATOM 301 CA GLY A 18 13.912 -2.425 -3.579 1.00 0.00 C ATOM 302 C GLY A 18 12.796 -2.136 -2.573 1.00 0.00 C ATOM 303 O GLY A 18 13.084 -1.785 -1.433 1.00 0.00 O ATOM 0 H GLY A 18 13.443 -3.011 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.788 -2.795 -3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.205 -1.495 -4.067 1.00 0.00 H new ATOM 307 N ASP A 19 11.525 -2.336 -2.937 1.00 0.00 N ATOM 308 CA ASP A 19 10.405 -2.188 -2.000 1.00 0.00 C ATOM 309 C ASP A 19 10.398 -3.332 -0.983 1.00 0.00 C ATOM 310 O ASP A 19 9.928 -3.160 0.143 1.00 0.00 O ATOM 311 CB ASP A 19 9.064 -2.147 -2.757 1.00 0.00 C ATOM 312 CG ASP A 19 8.498 -0.727 -2.870 1.00 0.00 C ATOM 313 OD1 ASP A 19 8.093 -0.154 -1.832 1.00 0.00 O ATOM 314 OD2 ASP A 19 8.377 -0.224 -4.011 1.00 0.00 O ATOM 0 H ASP A 19 11.244 -2.603 -3.881 1.00 0.00 H new ATOM 0 HA ASP A 19 10.533 -1.246 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.201 -2.561 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.342 -2.783 -2.245 1.00 0.00 H new ATOM 319 N ILE A 20 10.911 -4.502 -1.369 1.00 0.00 N ATOM 320 CA ILE A 20 11.023 -5.685 -0.519 1.00 0.00 C ATOM 321 C ILE A 20 12.239 -5.486 0.399 1.00 0.00 C ATOM 322 O ILE A 20 12.131 -5.694 1.610 1.00 0.00 O ATOM 323 CB ILE A 20 11.094 -6.940 -1.435 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.751 -7.086 -2.187 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.381 -8.238 -0.670 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.771 -7.944 -3.453 1.00 0.00 C ATOM 0 H ILE A 20 11.271 -4.655 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 20 10.161 -5.835 0.131 1.00 0.00 H new ATOM 0 HB ILE A 20 11.926 -6.787 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.018 -7.509 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.399 -6.090 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.417 -9.073 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.339 -8.154 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.592 -8.412 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.773 -7.971 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.471 -7.516 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.084 -8.957 -3.201 1.00 0.00 H new ATOM 338 N GLU A 21 13.350 -4.994 -0.156 1.00 0.00 N ATOM 339 CA GLU A 21 14.566 -4.646 0.585 1.00 0.00 C ATOM 340 C GLU A 21 14.284 -3.584 1.650 1.00 0.00 C ATOM 341 O GLU A 21 14.820 -3.647 2.756 1.00 0.00 O ATOM 342 CB GLU A 21 15.606 -4.069 -0.379 1.00 0.00 C ATOM 343 CG GLU A 21 16.166 -5.100 -1.357 1.00 0.00 C ATOM 344 CD GLU A 21 17.450 -5.777 -0.838 1.00 0.00 C ATOM 345 OE1 GLU A 21 17.437 -6.374 0.266 1.00 0.00 O ATOM 346 OE2 GLU A 21 18.492 -5.706 -1.536 1.00 0.00 O ATOM 0 H GLU A 21 13.431 -4.822 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 21 14.931 -5.555 1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.154 -3.253 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.427 -3.642 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.410 -5.862 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.376 -4.614 -2.310 1.00 0.00 H new ATOM 353 N ASP A 22 13.442 -2.605 1.319 1.00 0.00 N ATOM 354 CA ASP A 22 13.078 -1.497 2.204 1.00 0.00 C ATOM 355 C ASP A 22 12.355 -1.997 3.446 1.00 0.00 C ATOM 356 O ASP A 22 12.676 -1.622 4.578 1.00 0.00 O ATOM 357 CB ASP A 22 12.141 -0.522 1.496 1.00 0.00 C ATOM 358 CG ASP A 22 11.795 0.661 2.420 1.00 0.00 C ATOM 359 OD1 ASP A 22 12.676 1.522 2.654 1.00 0.00 O ATOM 360 OD2 ASP A 22 10.639 0.741 2.898 1.00 0.00 O ATOM 0 H ASP A 22 12.984 -2.559 0.409 1.00 0.00 H new ATOM 0 HA ASP A 22 14.008 -1.003 2.483 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.611 -0.154 0.584 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.228 -1.037 1.198 1.00 0.00 H new ATOM 365 N ARG A 23 11.404 -2.905 3.219 1.00 0.00 N ATOM 366 CA ARG A 23 10.693 -3.632 4.266 1.00 0.00 C ATOM 367 C ARG A 23 11.615 -4.625 4.988 1.00 0.00 C ATOM 368 O ARG A 23 11.205 -5.207 5.994 1.00 0.00 O ATOM 369 CB ARG A 23 9.448 -4.303 3.653 1.00 0.00 C ATOM 370 CG ARG A 23 8.409 -3.272 3.198 1.00 0.00 C ATOM 371 CD ARG A 23 7.353 -3.894 2.275 1.00 0.00 C ATOM 372 NE ARG A 23 6.302 -2.916 1.943 1.00 0.00 N ATOM 373 CZ ARG A 23 6.392 -1.901 1.076 1.00 0.00 C ATOM 374 NH1 ARG A 23 7.493 -1.708 0.353 1.00 0.00 N ATOM 375 NH2 ARG A 23 5.353 -1.088 0.959 1.00 0.00 N ATOM 0 H ARG A 23 11.102 -3.159 2.279 1.00 0.00 H new ATOM 0 HA ARG A 23 10.359 -2.935 5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.747 -4.916 2.803 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.998 -4.972 4.386 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.919 -2.840 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.911 -2.456 2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.828 -4.248 1.360 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.907 -4.762 2.760 1.00 0.00 H new ATOM 0 HE ARG A 23 5.410 -3.024 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.287 -2.340 0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.542 -0.928 -0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.516 -1.245 1.521 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.389 -0.304 0.307 1.00 0.00 H new ATOM 389 N GLY A 24 12.849 -4.811 4.513 1.00 0.00 N ATOM 390 CA GLY A 24 13.847 -5.662 5.129 1.00 0.00 C ATOM 391 C GLY A 24 13.620 -7.150 4.858 1.00 0.00 C ATOM 392 O GLY A 24 14.249 -7.990 5.509 1.00 0.00 O ATOM 0 H GLY A 24 13.182 -4.356 3.663 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.833 -5.379 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.846 -5.491 6.206 1.00 0.00 H new ATOM 396 N PHE A 25 12.739 -7.480 3.909 1.00 0.00 N ATOM 397 CA PHE A 25 12.629 -8.833 3.361 1.00 0.00 C ATOM 398 C PHE A 25 13.655 -8.972 2.221 1.00 0.00 C ATOM 399 O PHE A 25 14.455 -8.063 1.977 1.00 0.00 O ATOM 400 CB PHE A 25 11.178 -9.104 2.922 1.00 0.00 C ATOM 401 CG PHE A 25 10.165 -9.021 4.054 1.00 0.00 C ATOM 402 CD1 PHE A 25 9.704 -7.760 4.466 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.719 -10.173 4.732 1.00 0.00 C ATOM 404 CE1 PHE A 25 8.882 -7.630 5.596 1.00 0.00 C ATOM 405 CE2 PHE A 25 8.903 -10.042 5.867 1.00 0.00 C ATOM 406 CZ PHE A 25 8.494 -8.775 6.309 1.00 0.00 C ATOM 0 H PHE A 25 12.082 -6.816 3.500 1.00 0.00 H new ATOM 0 HA PHE A 25 12.860 -9.590 4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 25 10.903 -8.387 2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.124 -10.095 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.985 -6.880 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.004 -11.153 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.550 -6.653 5.916 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.588 -10.924 6.404 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.883 -8.681 7.195 1.00 0.00 H new ATOM 416 N ASP A 26 13.641 -10.098 1.497 1.00 0.00 N ATOM 417 CA ASP A 26 14.486 -10.301 0.317 1.00 0.00 C ATOM 418 C ASP A 26 13.654 -11.002 -0.746 1.00 0.00 C ATOM 419 O ASP A 26 12.745 -11.761 -0.409 1.00 0.00 O ATOM 420 CB ASP A 26 15.720 -11.147 0.650 1.00 0.00 C ATOM 421 CG ASP A 26 16.939 -10.727 -0.187 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.789 -10.517 -1.413 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.057 -10.649 0.377 1.00 0.00 O ATOM 0 H ASP A 26 13.042 -10.894 1.715 1.00 0.00 H new ATOM 0 HA ASP A 26 14.838 -9.334 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.954 -11.048 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.500 -12.199 0.470 1.00 0.00 H new ATOM 428 N ARG A 27 13.940 -10.757 -2.022 1.00 0.00 N ATOM 429 CA ARG A 27 13.068 -11.170 -3.122 1.00 0.00 C ATOM 430 C ARG A 27 12.899 -12.684 -3.219 1.00 0.00 C ATOM 431 O ARG A 27 11.841 -13.130 -3.650 1.00 0.00 O ATOM 432 CB ARG A 27 13.573 -10.559 -4.447 1.00 0.00 C ATOM 433 CG ARG A 27 14.924 -11.129 -4.915 1.00 0.00 C ATOM 434 CD ARG A 27 15.486 -10.403 -6.139 1.00 0.00 C ATOM 435 NE ARG A 27 16.813 -10.941 -6.501 1.00 0.00 N ATOM 436 CZ ARG A 27 17.638 -10.463 -7.445 1.00 0.00 C ATOM 437 NH1 ARG A 27 17.287 -9.408 -8.178 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.815 -11.045 -7.649 1.00 0.00 N ATOM 0 H ARG A 27 14.782 -10.267 -2.324 1.00 0.00 H new ATOM 0 HA ARG A 27 12.070 -10.784 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.828 -10.731 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.666 -9.480 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.643 -11.063 -4.098 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.804 -12.187 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.801 -10.514 -6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.565 -9.336 -5.931 1.00 0.00 H new ATOM 0 HE ARG A 27 17.134 -11.758 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.385 -8.957 -8.024 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.920 -9.051 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.089 -11.852 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.445 -10.684 -8.366 1.00 0.00 H new ATOM 452 N GLU A 28 13.914 -13.464 -2.840 1.00 0.00 N ATOM 453 CA GLU A 28 13.789 -14.916 -2.770 1.00 0.00 C ATOM 454 C GLU A 28 13.209 -15.294 -1.413 1.00 0.00 C ATOM 455 O GLU A 28 12.304 -16.117 -1.339 1.00 0.00 O ATOM 456 CB GLU A 28 15.149 -15.590 -2.981 1.00 0.00 C ATOM 457 CG GLU A 28 15.696 -15.353 -4.390 1.00 0.00 C ATOM 458 CD GLU A 28 16.973 -16.174 -4.649 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.089 -15.681 -4.351 1.00 0.00 O ATOM 460 OE2 GLU A 28 16.875 -17.312 -5.171 1.00 0.00 O ATOM 0 H GLU A 28 14.834 -13.110 -2.577 1.00 0.00 H new ATOM 0 HA GLU A 28 13.124 -15.261 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.860 -15.209 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.053 -16.661 -2.805 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.936 -15.619 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.911 -14.293 -4.524 1.00 0.00 H new ATOM 467 N GLU A 29 13.698 -14.679 -0.333 1.00 0.00 N ATOM 468 CA GLU A 29 13.369 -15.045 1.043 1.00 0.00 C ATOM 469 C GLU A 29 11.872 -15.007 1.319 1.00 0.00 C ATOM 470 O GLU A 29 11.364 -15.864 2.040 1.00 0.00 O ATOM 471 CB GLU A 29 14.090 -14.089 1.997 1.00 0.00 C ATOM 472 CG GLU A 29 15.595 -14.340 2.024 1.00 0.00 C ATOM 473 CD GLU A 29 15.967 -15.672 2.707 1.00 0.00 C ATOM 474 OE1 GLU A 29 15.696 -15.840 3.920 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.517 -16.571 2.026 1.00 0.00 O ATOM 0 H GLU A 29 14.348 -13.895 -0.395 1.00 0.00 H new ATOM 0 HA GLU A 29 13.697 -16.073 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.899 -13.060 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.685 -14.205 3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.977 -14.342 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.086 -13.519 2.547 1.00 0.00 H new ATOM 482 N ILE A 30 11.186 -14.048 0.703 1.00 0.00 N ATOM 483 CA ILE A 30 9.723 -13.961 0.661 1.00 0.00 C ATOM 484 C ILE A 30 9.106 -15.338 0.383 1.00 0.00 C ATOM 485 O ILE A 30 8.220 -15.778 1.111 1.00 0.00 O ATOM 486 CB ILE A 30 9.301 -12.923 -0.399 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.612 -11.498 0.099 1.00 0.00 C ATOM 488 CG2 ILE A 30 7.829 -13.034 -0.841 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.536 -10.839 0.981 1.00 0.00 C ATOM 0 H ILE A 30 11.643 -13.285 0.203 1.00 0.00 H new ATOM 0 HA ILE A 30 9.351 -13.633 1.632 1.00 0.00 H new ATOM 0 HB ILE A 30 9.891 -13.144 -1.289 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.546 -11.527 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.782 -10.861 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.614 -12.269 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.652 -14.020 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.178 -12.892 0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.864 -9.841 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.603 -10.766 0.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.378 -11.443 1.875 1.00 0.00 H new ATOM 501 N TRP A 31 9.576 -16.022 -0.659 1.00 0.00 N ATOM 502 CA TRP A 31 9.024 -17.293 -1.126 1.00 0.00 C ATOM 503 C TRP A 31 9.494 -18.502 -0.309 1.00 0.00 C ATOM 504 O TRP A 31 8.907 -19.579 -0.445 1.00 0.00 O ATOM 505 CB TRP A 31 9.378 -17.480 -2.602 1.00 0.00 C ATOM 506 CG TRP A 31 9.022 -16.300 -3.450 1.00 0.00 C ATOM 507 CD1 TRP A 31 9.914 -15.518 -4.091 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.717 -15.673 -3.662 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.274 -14.423 -4.625 1.00 0.00 N ATOM 510 CE2 TRP A 31 7.924 -14.436 -4.340 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.386 -15.999 -3.317 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.876 -13.538 -4.591 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.319 -15.133 -3.631 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.562 -13.894 -4.244 1.00 0.00 C ATOM 0 H TRP A 31 10.369 -15.701 -1.215 1.00 0.00 H new ATOM 0 HA TRP A 31 7.943 -17.244 -0.993 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.447 -17.673 -2.690 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.862 -18.361 -2.983 1.00 0.00 H new ATOM 0 HD1 TRP A 31 10.972 -15.721 -4.173 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.739 -13.693 -5.164 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.183 -16.927 -2.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 7.078 -12.580 -5.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.306 -15.425 -3.398 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.744 -13.219 -4.448 1.00 0.00 H new ATOM 525 N TYR A 32 10.521 -18.348 0.537 1.00 0.00 N ATOM 526 CA TYR A 32 11.238 -19.466 1.157 1.00 0.00 C ATOM 527 C TYR A 32 11.237 -19.407 2.692 1.00 0.00 C ATOM 528 O TYR A 32 11.869 -20.240 3.345 1.00 0.00 O ATOM 529 CB TYR A 32 12.652 -19.554 0.551 1.00 0.00 C ATOM 530 CG TYR A 32 12.672 -19.761 -0.954 1.00 0.00 C ATOM 531 CD1 TYR A 32 11.980 -20.847 -1.523 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.363 -18.865 -1.789 1.00 0.00 C ATOM 533 CE1 TYR A 32 11.962 -21.022 -2.915 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.319 -19.010 -3.188 1.00 0.00 C ATOM 535 CZ TYR A 32 12.621 -20.100 -3.760 1.00 0.00 C ATOM 536 OH TYR A 32 12.576 -20.275 -5.114 1.00 0.00 O ATOM 0 H TYR A 32 10.880 -17.434 0.812 1.00 0.00 H new ATOM 0 HA TYR A 32 10.707 -20.390 0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.194 -18.639 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.189 -20.375 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.461 -21.548 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.933 -18.058 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.442 -21.866 -3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.816 -18.292 -3.823 1.00 0.00 H new ATOM 0 HH TYR A 32 13.077 -19.556 -5.554 1.00 0.00 H new ATOM 546 N ASN A 33 10.486 -18.471 3.283 1.00 0.00 N ATOM 547 CA ASN A 33 10.242 -18.356 4.712 1.00 0.00 C ATOM 548 C ASN A 33 8.726 -18.352 4.889 1.00 0.00 C ATOM 549 O ASN A 33 8.080 -17.337 4.634 1.00 0.00 O ATOM 550 CB ASN A 33 10.859 -17.059 5.235 1.00 0.00 C ATOM 551 CG ASN A 33 12.377 -17.096 5.300 1.00 0.00 C ATOM 552 OD1 ASN A 33 12.975 -17.502 6.294 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.017 -16.650 4.237 1.00 0.00 N ATOM 0 H ASN A 33 10.013 -17.743 2.747 1.00 0.00 H new ATOM 0 HA ASN A 33 10.691 -19.178 5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.550 -16.234 4.593 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.465 -16.853 6.230 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.037 -16.635 4.225 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.492 -16.320 3.427 1.00 0.00 H new ATOM 560 N ARG A 34 8.153 -19.506 5.248 1.00 0.00 N ATOM 561 CA ARG A 34 6.717 -19.815 5.149 1.00 0.00 C ATOM 562 C ARG A 34 5.782 -18.911 5.947 1.00 0.00 C ATOM 563 O ARG A 34 4.563 -18.971 5.770 1.00 0.00 O ATOM 564 CB ARG A 34 6.514 -21.275 5.541 1.00 0.00 C ATOM 565 CG ARG A 34 6.526 -21.566 7.048 1.00 0.00 C ATOM 566 CD ARG A 34 6.337 -23.075 7.206 1.00 0.00 C ATOM 567 NE ARG A 34 6.332 -23.482 8.624 1.00 0.00 N ATOM 568 CZ ARG A 34 5.273 -23.551 9.440 1.00 0.00 C ATOM 569 NH1 ARG A 34 4.051 -23.226 9.016 1.00 0.00 N ATOM 570 NH2 ARG A 34 5.443 -23.945 10.700 1.00 0.00 N ATOM 0 H ARG A 34 8.695 -20.281 5.630 1.00 0.00 H new ATOM 0 HA ARG A 34 6.436 -19.626 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.562 -21.613 5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.294 -21.871 5.068 1.00 0.00 H new ATOM 0 HG2 ARG A 34 7.466 -21.245 7.497 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.729 -21.021 7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 34 5.399 -23.375 6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 34 7.136 -23.598 6.681 1.00 0.00 H new ATOM 0 HE ARG A 34 7.233 -23.739 9.026 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.910 -22.918 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 34 3.257 -23.286 9.654 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.374 -24.191 11.036 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.642 -24.001 11.329 1.00 0.00 H new ATOM 584 N GLU A 35 6.345 -18.142 6.863 1.00 0.00 N ATOM 585 CA GLU A 35 5.651 -17.184 7.703 1.00 0.00 C ATOM 586 C GLU A 35 6.032 -15.740 7.358 1.00 0.00 C ATOM 587 O GLU A 35 5.194 -14.843 7.482 1.00 0.00 O ATOM 588 CB GLU A 35 5.905 -17.516 9.186 1.00 0.00 C ATOM 589 CG GLU A 35 7.333 -17.294 9.718 1.00 0.00 C ATOM 590 CD GLU A 35 8.360 -18.286 9.140 1.00 0.00 C ATOM 591 OE1 GLU A 35 8.876 -18.028 8.028 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.640 -19.322 9.789 1.00 0.00 O ATOM 0 H GLU A 35 7.347 -18.171 7.049 1.00 0.00 H new ATOM 0 HA GLU A 35 4.581 -17.264 7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.222 -16.917 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.642 -18.561 9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.647 -16.277 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.326 -17.381 10.805 1.00 0.00 H new ATOM 599 N ARG A 36 7.258 -15.486 6.882 1.00 0.00 N ATOM 600 CA ARG A 36 7.672 -14.150 6.473 1.00 0.00 C ATOM 601 C ARG A 36 7.145 -13.807 5.080 1.00 0.00 C ATOM 602 O ARG A 36 7.129 -12.633 4.709 1.00 0.00 O ATOM 603 CB ARG A 36 9.187 -14.007 6.551 1.00 0.00 C ATOM 604 CG ARG A 36 9.770 -14.137 7.973 1.00 0.00 C ATOM 605 CD ARG A 36 9.002 -13.351 9.053 1.00 0.00 C ATOM 606 NE ARG A 36 9.670 -13.435 10.364 1.00 0.00 N ATOM 607 CZ ARG A 36 9.130 -13.080 11.539 1.00 0.00 C ATOM 608 NH1 ARG A 36 7.889 -12.599 11.613 1.00 0.00 N ATOM 609 NH2 ARG A 36 9.842 -13.214 12.655 1.00 0.00 N ATOM 0 H ARG A 36 7.980 -16.198 6.773 1.00 0.00 H new ATOM 0 HA ARG A 36 7.234 -13.433 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.644 -14.764 5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.469 -13.036 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.785 -15.191 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.805 -13.796 7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.918 -12.306 8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.988 -13.741 9.135 1.00 0.00 H new ATOM 0 HE ARG A 36 10.625 -13.794 10.379 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.331 -12.495 10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.497 -12.335 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.791 -13.584 12.613 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.438 -12.946 13.553 1.00 0.00 H new ATOM 623 N SER A 37 6.685 -14.803 4.333 1.00 0.00 N ATOM 624 CA SER A 37 5.858 -14.624 3.161 1.00 0.00 C ATOM 625 C SER A 37 4.656 -13.739 3.512 1.00 0.00 C ATOM 626 O SER A 37 4.465 -12.678 2.921 1.00 0.00 O ATOM 627 CB SER A 37 5.418 -16.013 2.672 1.00 0.00 C ATOM 628 OG SER A 37 4.946 -16.799 3.757 1.00 0.00 O ATOM 0 H SER A 37 6.886 -15.782 4.537 1.00 0.00 H new ATOM 0 HA SER A 37 6.409 -14.126 2.363 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.633 -15.909 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.255 -16.516 2.189 1.00 0.00 H new ATOM 0 HG SER A 37 4.669 -17.679 3.427 1.00 0.00 H new ATOM 634 N GLU A 38 3.871 -14.172 4.504 1.00 0.00 N ATOM 635 CA GLU A 38 2.556 -13.659 4.844 1.00 0.00 C ATOM 636 C GLU A 38 2.569 -12.154 5.129 1.00 0.00 C ATOM 637 O GLU A 38 1.601 -11.463 4.809 1.00 0.00 O ATOM 638 CB GLU A 38 2.026 -14.472 6.037 1.00 0.00 C ATOM 639 CG GLU A 38 0.499 -14.519 6.021 1.00 0.00 C ATOM 640 CD GLU A 38 -0.065 -15.277 7.236 1.00 0.00 C ATOM 641 OE1 GLU A 38 -0.156 -16.528 7.184 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.446 -14.627 8.241 1.00 0.00 O ATOM 0 H GLU A 38 4.160 -14.932 5.120 1.00 0.00 H new ATOM 0 HA GLU A 38 1.888 -13.777 3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.427 -15.485 6.000 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.372 -14.026 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.105 -13.503 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.160 -15.000 5.104 1.00 0.00 H new ATOM 649 N GLU A 39 3.666 -11.630 5.673 1.00 0.00 N ATOM 650 CA GLU A 39 3.812 -10.234 6.062 1.00 0.00 C ATOM 651 C GLU A 39 3.633 -9.302 4.860 1.00 0.00 C ATOM 652 O GLU A 39 3.082 -8.207 4.996 1.00 0.00 O ATOM 653 CB GLU A 39 5.211 -10.005 6.660 1.00 0.00 C ATOM 654 CG GLU A 39 5.827 -11.142 7.478 1.00 0.00 C ATOM 655 CD GLU A 39 5.205 -11.430 8.858 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.016 -11.112 9.108 1.00 0.00 O ATOM 657 OE2 GLU A 39 5.944 -11.970 9.720 1.00 0.00 O ATOM 0 H GLU A 39 4.501 -12.185 5.860 1.00 0.00 H new ATOM 0 HA GLU A 39 3.042 -10.010 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.892 -9.773 5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.164 -9.121 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.771 -12.055 6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.884 -10.920 7.623 1.00 0.00 H new ATOM 664 N LEU A 40 4.083 -9.750 3.681 1.00 0.00 N ATOM 665 CA LEU A 40 3.895 -9.044 2.419 1.00 0.00 C ATOM 666 C LEU A 40 2.395 -8.864 2.187 1.00 0.00 C ATOM 667 O LEU A 40 1.904 -7.760 1.955 1.00 0.00 O ATOM 668 CB LEU A 40 4.556 -9.843 1.277 1.00 0.00 C ATOM 669 CG LEU A 40 4.616 -9.221 -0.145 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.173 -10.254 -1.184 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.835 -7.916 -0.347 1.00 0.00 C ATOM 0 H LEU A 40 4.595 -10.627 3.582 1.00 0.00 H new ATOM 0 HA LEU A 40 4.366 -8.061 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.579 -10.066 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.032 -10.796 1.197 1.00 0.00 H new ATOM 0 HG LEU A 40 5.661 -8.940 -0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.217 -9.811 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.835 -11.119 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.151 -10.568 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.951 -7.578 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.779 -8.088 -0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.219 -7.154 0.331 1.00 0.00 H new ATOM 683 N PHE A 41 1.653 -9.960 2.276 1.00 0.00 N ATOM 684 CA PHE A 41 0.235 -9.991 1.976 1.00 0.00 C ATOM 685 C PHE A 41 -0.530 -9.152 2.994 1.00 0.00 C ATOM 686 O PHE A 41 -1.431 -8.401 2.619 1.00 0.00 O ATOM 687 CB PHE A 41 -0.242 -11.441 1.903 1.00 0.00 C ATOM 688 CG PHE A 41 0.559 -12.206 0.870 1.00 0.00 C ATOM 689 CD1 PHE A 41 0.186 -12.170 -0.482 1.00 0.00 C ATOM 690 CD2 PHE A 41 1.776 -12.799 1.245 1.00 0.00 C ATOM 691 CE1 PHE A 41 1.027 -12.745 -1.451 1.00 0.00 C ATOM 692 CE2 PHE A 41 2.616 -13.375 0.278 1.00 0.00 C ATOM 693 CZ PHE A 41 2.235 -13.354 -1.073 1.00 0.00 C ATOM 0 H PHE A 41 2.029 -10.864 2.563 1.00 0.00 H new ATOM 0 HA PHE A 41 0.041 -9.546 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.137 -11.915 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.301 -11.470 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.742 -11.703 -0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.068 -12.812 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.742 -12.718 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.550 -13.831 0.572 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.870 -13.806 -1.821 1.00 0.00 H new ATOM 703 N TRP A 42 -0.124 -9.197 4.262 1.00 0.00 N ATOM 704 CA TRP A 42 -0.641 -8.289 5.272 1.00 0.00 C ATOM 705 C TRP A 42 -0.398 -6.818 4.905 1.00 0.00 C ATOM 706 O TRP A 42 -1.284 -6.000 5.136 1.00 0.00 O ATOM 707 CB TRP A 42 -0.056 -8.654 6.641 1.00 0.00 C ATOM 708 CG TRP A 42 -0.728 -9.830 7.277 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.203 -11.065 7.426 1.00 0.00 C ATOM 710 CD2 TRP A 42 -2.092 -9.916 7.795 1.00 0.00 C ATOM 711 NE1 TRP A 42 -1.128 -11.900 8.013 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.324 -11.252 8.244 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.165 -9.005 7.905 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.558 -11.661 8.771 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.411 -9.407 8.427 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.610 -10.731 8.859 1.00 0.00 C ATOM 0 H TRP A 42 0.568 -9.860 4.611 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.724 -8.404 5.321 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.007 -8.868 6.529 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.139 -7.794 7.305 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.794 -11.355 7.129 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.951 -12.877 8.248 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.029 -7.983 7.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.699 -12.678 9.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.219 -8.693 8.496 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.568 -11.033 9.257 1.00 0.00 H new ATOM 727 N GLU A 43 0.737 -6.459 4.304 1.00 0.00 N ATOM 728 CA GLU A 43 1.053 -5.093 3.890 1.00 0.00 C ATOM 729 C GLU A 43 0.086 -4.607 2.798 1.00 0.00 C ATOM 730 O GLU A 43 -0.336 -3.451 2.813 1.00 0.00 O ATOM 731 CB GLU A 43 2.514 -5.033 3.384 1.00 0.00 C ATOM 732 CG GLU A 43 3.424 -4.129 4.216 1.00 0.00 C ATOM 733 CD GLU A 43 3.169 -2.639 3.949 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.693 -2.130 2.928 1.00 0.00 O ATOM 735 OE2 GLU A 43 2.501 -1.976 4.780 1.00 0.00 O ATOM 0 H GLU A 43 1.478 -7.125 4.087 1.00 0.00 H new ATOM 0 HA GLU A 43 0.940 -4.432 4.750 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.927 -6.042 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.516 -4.682 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.269 -4.337 5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.465 -4.362 3.994 1.00 0.00 H new ATOM 742 N VAL A 44 -0.285 -5.465 1.842 1.00 0.00 N ATOM 743 CA VAL A 44 -1.140 -5.063 0.738 1.00 0.00 C ATOM 744 C VAL A 44 -2.615 -5.077 1.114 1.00 0.00 C ATOM 745 O VAL A 44 -3.353 -4.172 0.735 1.00 0.00 O ATOM 746 CB VAL A 44 -0.867 -5.928 -0.482 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.524 -5.593 -1.020 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.898 -7.431 -0.259 1.00 0.00 C ATOM 0 H VAL A 44 -0.001 -6.444 1.817 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.897 -4.030 0.491 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.682 -5.697 -1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.733 -6.207 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.563 -4.540 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.270 -5.793 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.690 -7.943 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.144 -7.705 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.883 -7.725 0.103 1.00 0.00 H new ATOM 758 N MET A 45 -3.038 -6.073 1.885 1.00 0.00 N ATOM 759 CA MET A 45 -4.321 -6.070 2.561 1.00 0.00 C ATOM 760 C MET A 45 -4.461 -4.787 3.380 1.00 0.00 C ATOM 761 O MET A 45 -5.486 -4.118 3.275 1.00 0.00 O ATOM 762 CB MET A 45 -4.433 -7.302 3.464 1.00 0.00 C ATOM 763 CG MET A 45 -4.613 -8.613 2.694 1.00 0.00 C ATOM 764 SD MET A 45 -6.198 -8.807 1.823 1.00 0.00 S ATOM 765 CE MET A 45 -5.712 -8.442 0.112 1.00 0.00 C ATOM 0 H MET A 45 -2.488 -6.915 2.057 1.00 0.00 H new ATOM 0 HA MET A 45 -5.124 -6.107 1.825 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.537 -7.373 4.080 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.276 -7.170 4.142 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.807 -8.698 1.966 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.500 -9.442 3.393 1.00 0.00 H new ATOM 0 HE1 MET A 45 -6.579 -8.087 -0.445 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.940 -7.673 0.109 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.325 -9.347 -0.357 1.00 0.00 H new ATOM 775 N ASP A 46 -3.441 -4.409 4.154 1.00 0.00 N ATOM 776 CA ASP A 46 -3.455 -3.170 4.929 1.00 0.00 C ATOM 777 C ASP A 46 -3.688 -1.947 4.042 1.00 0.00 C ATOM 778 O ASP A 46 -4.496 -1.083 4.391 1.00 0.00 O ATOM 779 CB ASP A 46 -2.160 -2.980 5.718 1.00 0.00 C ATOM 780 CG ASP A 46 -2.241 -1.672 6.519 1.00 0.00 C ATOM 781 OD1 ASP A 46 -2.945 -1.646 7.558 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.590 -0.672 6.130 1.00 0.00 O ATOM 0 H ASP A 46 -2.585 -4.953 4.260 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.285 -3.260 5.629 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.004 -3.823 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.308 -2.952 5.039 1.00 0.00 H new ATOM 787 N GLU A 47 -3.043 -1.903 2.872 1.00 0.00 N ATOM 788 CA GLU A 47 -3.166 -0.839 1.890 1.00 0.00 C ATOM 789 C GLU A 47 -4.604 -0.657 1.375 1.00 0.00 C ATOM 790 O GLU A 47 -4.909 0.379 0.777 1.00 0.00 O ATOM 791 CB GLU A 47 -2.211 -1.137 0.717 1.00 0.00 C ATOM 792 CG GLU A 47 -0.964 -0.257 0.672 1.00 0.00 C ATOM 793 CD GLU A 47 -1.294 1.231 0.446 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.451 1.653 -0.724 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.369 1.998 1.438 1.00 0.00 O ATOM 0 H GLU A 47 -2.399 -2.638 2.579 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.898 0.098 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.901 -2.180 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.758 -1.018 -0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.414 -0.365 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.308 -0.605 -0.126 1.00 0.00 H new ATOM 802 N VAL A 48 -5.492 -1.627 1.614 1.00 0.00 N ATOM 803 CA VAL A 48 -6.871 -1.624 1.125 1.00 0.00 C ATOM 804 C VAL A 48 -7.876 -1.906 2.244 1.00 0.00 C ATOM 805 O VAL A 48 -9.072 -2.002 1.974 1.00 0.00 O ATOM 806 CB VAL A 48 -7.029 -2.606 -0.059 1.00 0.00 C ATOM 807 CG1 VAL A 48 -6.011 -2.313 -1.169 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.869 -4.084 0.326 1.00 0.00 C ATOM 0 H VAL A 48 -5.265 -2.454 2.166 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.095 -0.622 0.759 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.051 -2.446 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.149 -3.021 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.158 -1.299 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.001 -2.411 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.994 -4.706 -0.560 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.876 -4.245 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.623 -4.351 1.066 1.00 0.00 H new ATOM 818 N HIS A 49 -7.417 -2.058 3.489 1.00 0.00 N ATOM 819 CA HIS A 49 -8.233 -2.696 4.514 1.00 0.00 C ATOM 820 C HIS A 49 -9.516 -1.932 4.859 1.00 0.00 C ATOM 821 O HIS A 49 -10.486 -2.555 5.284 1.00 0.00 O ATOM 822 CB HIS A 49 -7.412 -3.002 5.774 1.00 0.00 C ATOM 823 CG HIS A 49 -7.731 -4.366 6.327 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.312 -4.665 7.539 1.00 0.00 N ATOM 825 CD2 HIS A 49 -7.534 -5.548 5.667 1.00 0.00 C ATOM 826 CE1 HIS A 49 -8.454 -6.001 7.607 1.00 0.00 C ATOM 827 NE2 HIS A 49 -7.994 -6.590 6.485 1.00 0.00 N ATOM 0 H HIS A 49 -6.497 -1.751 3.805 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.563 -3.638 4.076 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.349 -2.944 5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.613 -2.245 6.532 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.099 -5.659 4.685 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.879 -6.530 8.447 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.983 -7.588 6.274 1.00 0.00 H new ATOM 835 N GLU A 50 -9.560 -0.616 4.629 1.00 0.00 N ATOM 836 CA GLU A 50 -10.767 0.195 4.817 1.00 0.00 C ATOM 837 C GLU A 50 -11.925 -0.269 3.911 1.00 0.00 C ATOM 838 O GLU A 50 -13.078 0.086 4.160 1.00 0.00 O ATOM 839 CB GLU A 50 -10.452 1.680 4.563 1.00 0.00 C ATOM 840 CG GLU A 50 -9.479 2.263 5.601 1.00 0.00 C ATOM 841 CD GLU A 50 -9.284 3.778 5.405 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.393 4.183 4.617 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.011 4.580 6.045 1.00 0.00 O ATOM 0 H GLU A 50 -8.755 -0.080 4.305 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.091 0.065 5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.025 1.792 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.380 2.252 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.858 2.071 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.516 1.758 5.522 1.00 0.00 H new ATOM 850 N GLU A 51 -11.635 -1.072 2.881 1.00 0.00 N ATOM 851 CA GLU A 51 -12.597 -1.632 1.935 1.00 0.00 C ATOM 852 C GLU A 51 -12.688 -3.167 2.083 1.00 0.00 C ATOM 853 O GLU A 51 -13.429 -3.820 1.344 1.00 0.00 O ATOM 854 CB GLU A 51 -12.203 -1.211 0.511 1.00 0.00 C ATOM 855 CG GLU A 51 -12.401 0.296 0.309 1.00 0.00 C ATOM 856 CD GLU A 51 -11.891 0.733 -1.071 1.00 0.00 C ATOM 857 OE1 GLU A 51 -12.659 0.681 -2.059 1.00 0.00 O ATOM 858 OE2 GLU A 51 -10.692 1.085 -1.201 1.00 0.00 O ATOM 0 H GLU A 51 -10.678 -1.360 2.678 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.592 -1.241 2.148 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.161 -1.473 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.803 -1.761 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.458 0.545 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.871 0.845 1.088 1.00 0.00 H new ATOM 865 N GLU A 52 -11.966 -3.747 3.049 1.00 0.00 N ATOM 866 CA GLU A 52 -11.940 -5.178 3.337 1.00 0.00 C ATOM 867 C GLU A 52 -12.519 -5.478 4.720 1.00 0.00 C ATOM 868 O GLU A 52 -12.969 -6.596 4.948 1.00 0.00 O ATOM 869 CB GLU A 52 -10.508 -5.702 3.277 1.00 0.00 C ATOM 870 CG GLU A 52 -9.924 -5.671 1.863 1.00 0.00 C ATOM 871 CD GLU A 52 -10.652 -6.584 0.853 1.00 0.00 C ATOM 872 OE1 GLU A 52 -11.003 -7.738 1.197 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.832 -6.169 -0.316 1.00 0.00 O ATOM 0 H GLU A 52 -11.363 -3.209 3.672 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.551 -5.675 2.584 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.880 -5.105 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.484 -6.725 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.952 -4.646 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.875 -5.964 1.909 1.00 0.00 H new ATOM 880 N GLU A 53 -12.563 -4.508 5.637 1.00 0.00 N ATOM 881 CA GLU A 53 -13.020 -4.702 7.015 1.00 0.00 C ATOM 882 C GLU A 53 -14.471 -5.212 7.129 1.00 0.00 C ATOM 883 O GLU A 53 -14.859 -5.725 8.181 1.00 0.00 O ATOM 884 CB GLU A 53 -12.810 -3.410 7.824 1.00 0.00 C ATOM 885 CG GLU A 53 -13.622 -2.210 7.311 1.00 0.00 C ATOM 886 CD GLU A 53 -13.484 -0.997 8.250 1.00 0.00 C ATOM 887 OE1 GLU A 53 -12.474 -0.258 8.163 1.00 0.00 O ATOM 888 OE2 GLU A 53 -14.391 -0.772 9.089 1.00 0.00 O ATOM 0 H GLU A 53 -12.277 -3.549 5.439 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.408 -5.499 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.077 -3.598 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.751 -3.152 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.282 -1.939 6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.672 -2.489 7.226 1.00 0.00 H new ATOM 895 N PHE A 54 -15.258 -5.118 6.048 1.00 0.00 N ATOM 896 CA PHE A 54 -16.635 -5.599 5.956 1.00 0.00 C ATOM 897 C PHE A 54 -16.769 -6.784 4.978 1.00 0.00 C ATOM 898 O PHE A 54 -17.888 -7.226 4.708 1.00 0.00 O ATOM 899 CB PHE A 54 -17.555 -4.418 5.592 1.00 0.00 C ATOM 900 CG PHE A 54 -17.154 -3.639 4.349 1.00 0.00 C ATOM 901 CD1 PHE A 54 -17.453 -4.139 3.066 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.486 -2.407 4.478 1.00 0.00 C ATOM 903 CE1 PHE A 54 -17.078 -3.411 1.922 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.114 -1.679 3.333 1.00 0.00 C ATOM 905 CZ PHE A 54 -16.406 -2.185 2.055 1.00 0.00 C ATOM 0 H PHE A 54 -14.936 -4.687 5.182 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.945 -5.992 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.567 -4.798 5.452 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.587 -3.730 6.437 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.970 -5.081 2.961 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.258 -2.019 5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.307 -3.796 0.939 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.605 -0.732 3.436 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.114 -1.631 1.175 1.00 0.00 H new ATOM 915 N ALA A 55 -15.654 -7.309 4.451 1.00 0.00 N ATOM 916 CA ALA A 55 -15.615 -8.405 3.484 1.00 0.00 C ATOM 917 C ALA A 55 -14.538 -9.450 3.798 1.00 0.00 C ATOM 918 O ALA A 55 -14.410 -10.431 3.062 1.00 0.00 O ATOM 919 CB ALA A 55 -15.448 -7.830 2.068 1.00 0.00 C ATOM 0 H ALA A 55 -14.725 -6.968 4.697 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.563 -8.939 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.419 -8.645 1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.288 -7.174 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.519 -7.263 2.013 1.00 0.00 H new ATOM 925 N VAL A 56 -13.782 -9.283 4.885 1.00 0.00 N ATOM 926 CA VAL A 56 -12.833 -10.264 5.384 1.00 0.00 C ATOM 927 C VAL A 56 -13.589 -11.369 6.136 1.00 0.00 C ATOM 928 O VAL A 56 -13.619 -11.443 7.366 1.00 0.00 O ATOM 929 CB VAL A 56 -11.664 -9.571 6.113 1.00 0.00 C ATOM 930 CG1 VAL A 56 -12.044 -8.728 7.339 1.00 0.00 C ATOM 931 CG2 VAL A 56 -10.617 -10.622 6.482 1.00 0.00 C ATOM 0 H VAL A 56 -13.819 -8.437 5.453 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.327 -10.792 4.576 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.266 -8.841 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.145 -8.289 7.771 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.727 -7.934 7.037 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.530 -9.362 8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.786 -10.142 6.998 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.067 -11.370 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.251 -11.105 5.576 1.00 0.00 H new ATOM 941 N GLU A 57 -14.269 -12.208 5.357 1.00 0.00 N ATOM 942 CA GLU A 57 -15.144 -13.271 5.836 1.00 0.00 C ATOM 943 C GLU A 57 -15.219 -14.391 4.782 1.00 0.00 C ATOM 944 O GLU A 57 -16.252 -15.041 4.597 1.00 0.00 O ATOM 945 CB GLU A 57 -16.511 -12.674 6.209 1.00 0.00 C ATOM 946 CG GLU A 57 -17.131 -11.790 5.114 1.00 0.00 C ATOM 947 CD GLU A 57 -18.660 -11.680 5.271 1.00 0.00 C ATOM 948 OE1 GLU A 57 -19.132 -11.029 6.236 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.404 -12.227 4.420 1.00 0.00 O ATOM 0 H GLU A 57 -14.223 -12.163 4.339 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.747 -13.730 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.200 -13.487 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.401 -12.084 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.688 -10.795 5.155 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.894 -12.204 4.134 1.00 0.00 H new ATOM 956 N GLY A 58 -14.118 -14.593 4.050 1.00 0.00 N ATOM 957 CA GLY A 58 -14.003 -15.549 2.957 1.00 0.00 C ATOM 958 C GLY A 58 -12.535 -15.838 2.639 1.00 0.00 C ATOM 959 O GLY A 58 -11.643 -15.328 3.330 1.00 0.00 O ATOM 0 H GLY A 58 -13.255 -14.074 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.511 -16.476 3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.501 -15.156 2.071 1.00 0.00 H new ATOM 963 N PRO A 59 -12.278 -16.677 1.623 1.00 0.00 N ATOM 964 CA PRO A 59 -10.940 -17.136 1.272 1.00 0.00 C ATOM 965 C PRO A 59 -10.096 -16.026 0.629 1.00 0.00 C ATOM 966 O PRO A 59 -10.602 -14.967 0.242 1.00 0.00 O ATOM 967 CB PRO A 59 -11.164 -18.313 0.319 1.00 0.00 C ATOM 968 CG PRO A 59 -12.481 -17.958 -0.361 1.00 0.00 C ATOM 969 CD PRO A 59 -13.270 -17.277 0.745 1.00 0.00 C ATOM 0 HA PRO A 59 -10.373 -17.432 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -10.351 -18.410 -0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.229 -19.260 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.328 -17.296 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.994 -18.845 -0.734 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.942 -16.521 0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.888 -17.995 1.285 1.00 0.00 H new ATOM 977 N LEU A 60 -8.807 -16.316 0.450 1.00 0.00 N ATOM 978 CA LEU A 60 -7.851 -15.508 -0.300 1.00 0.00 C ATOM 979 C LEU A 60 -6.968 -16.472 -1.087 1.00 0.00 C ATOM 980 O LEU A 60 -6.755 -17.612 -0.660 1.00 0.00 O ATOM 981 CB LEU A 60 -6.991 -14.664 0.661 1.00 0.00 C ATOM 982 CG LEU A 60 -6.175 -13.540 -0.012 1.00 0.00 C ATOM 983 CD1 LEU A 60 -7.069 -12.478 -0.668 1.00 0.00 C ATOM 984 CD2 LEU A 60 -5.279 -12.855 1.026 1.00 0.00 C ATOM 0 H LEU A 60 -8.384 -17.158 0.842 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.369 -14.821 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.643 -14.219 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.304 -15.327 1.187 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.575 -14.007 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.446 -11.711 -1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.689 -12.946 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.708 -12.022 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.705 -12.063 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.898 -12.428 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.596 -13.587 1.457 1.00 0.00 H new ATOM 996 N TRP A 61 -6.450 -16.008 -2.216 1.00 0.00 N ATOM 997 CA TRP A 61 -5.780 -16.819 -3.221 1.00 0.00 C ATOM 998 C TRP A 61 -4.643 -15.991 -3.800 1.00 0.00 C ATOM 999 O TRP A 61 -4.774 -14.772 -3.868 1.00 0.00 O ATOM 1000 CB TRP A 61 -6.799 -17.086 -4.329 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.019 -17.878 -3.977 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.151 -17.378 -3.432 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.268 -19.297 -4.176 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.082 -18.388 -3.287 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.584 -19.600 -3.722 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.503 -20.349 -4.712 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -10.109 -20.901 -3.780 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -8.015 -21.658 -4.776 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.315 -21.935 -4.309 1.00 0.00 C ATOM 0 H TRP A 61 -6.487 -15.020 -2.465 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.398 -17.751 -2.804 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.126 -16.124 -4.723 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.285 -17.604 -5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.304 -16.346 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.019 -18.255 -2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.508 -20.149 -5.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.108 -21.105 -3.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.409 -22.453 -5.185 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.702 -22.942 -4.357 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.561 -16.625 -4.254 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.346 -15.929 -4.672 1.00 0.00 C ATOM 1022 C ILE A 62 -1.866 -16.536 -5.998 1.00 0.00 C ATOM 1023 O ILE A 62 -1.927 -17.757 -6.173 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.229 -16.083 -3.602 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -1.647 -16.091 -2.109 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.140 -15.021 -3.834 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.223 -14.793 -1.530 1.00 0.00 C ATOM 0 H ILE A 62 -3.504 -17.640 -4.342 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.564 -14.868 -4.793 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.866 -17.098 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.387 -16.879 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.774 -16.366 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.642 -15.131 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.290 -15.152 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.579 -14.026 -3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.472 -14.942 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.485 -13.996 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.123 -14.517 -2.080 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.305 -15.707 -6.885 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.257 -16.136 -7.819 1.00 0.00 C ATOM 1041 C GLN A 63 0.758 -14.998 -8.013 1.00 0.00 C ATOM 1042 O GLN A 63 0.531 -13.881 -7.546 1.00 0.00 O ATOM 1043 CB GLN A 63 -0.839 -16.684 -9.130 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.624 -15.686 -9.975 1.00 0.00 C ATOM 1045 CD GLN A 63 -0.716 -15.079 -11.031 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -0.220 -13.968 -10.888 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -0.405 -15.827 -12.072 1.00 0.00 N ATOM 0 H GLN A 63 -1.563 -14.724 -6.976 1.00 0.00 H new ATOM 0 HA GLN A 63 0.283 -16.980 -7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.020 -17.077 -9.733 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.492 -17.524 -8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.469 -16.184 -10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.034 -14.901 -9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.825 -16.750 -12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.255 -15.482 -12.769 1.00 0.00 H new ATOM 1056 N VAL A 64 1.887 -15.261 -8.677 1.00 0.00 N ATOM 1057 CA VAL A 64 2.954 -14.277 -8.846 1.00 0.00 C ATOM 1058 C VAL A 64 3.652 -14.459 -10.207 1.00 0.00 C ATOM 1059 O VAL A 64 3.618 -15.546 -10.793 1.00 0.00 O ATOM 1060 CB VAL A 64 3.917 -14.358 -7.640 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.721 -15.665 -7.583 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.874 -13.163 -7.607 1.00 0.00 C ATOM 0 H VAL A 64 2.085 -16.162 -9.111 1.00 0.00 H new ATOM 0 HA VAL A 64 2.540 -13.269 -8.861 1.00 0.00 H new ATOM 0 HB VAL A 64 3.276 -14.336 -6.759 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.375 -15.652 -6.711 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.037 -16.510 -7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.323 -15.762 -8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.537 -13.252 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.467 -13.146 -8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.300 -12.239 -7.529 1.00 0.00 H new ATOM 1072 N GLN A 65 4.332 -13.407 -10.668 1.00 0.00 N ATOM 1073 CA GLN A 65 5.275 -13.372 -11.773 1.00 0.00 C ATOM 1074 C GLN A 65 6.518 -12.691 -11.222 1.00 0.00 C ATOM 1075 O GLN A 65 6.385 -11.728 -10.471 1.00 0.00 O ATOM 1076 CB GLN A 65 4.758 -12.474 -12.910 1.00 0.00 C ATOM 1077 CG GLN A 65 3.681 -13.078 -13.810 1.00 0.00 C ATOM 1078 CD GLN A 65 2.360 -13.460 -13.153 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.783 -14.506 -13.450 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.831 -12.643 -12.266 1.00 0.00 N ATOM 0 H GLN A 65 4.224 -12.488 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 65 5.442 -14.379 -12.156 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.363 -11.558 -12.471 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.605 -12.189 -13.534 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.469 -12.366 -14.608 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.095 -13.970 -14.281 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.310 -11.777 -12.021 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.942 -12.877 -11.824 1.00 0.00 H new ATOM 1089 N ALA A 66 7.698 -13.101 -11.668 1.00 0.00 N ATOM 1090 CA ALA A 66 8.939 -12.381 -11.419 1.00 0.00 C ATOM 1091 C ALA A 66 9.378 -11.746 -12.742 1.00 0.00 C ATOM 1092 O ALA A 66 9.351 -12.393 -13.792 1.00 0.00 O ATOM 1093 CB ALA A 66 9.986 -13.322 -10.811 1.00 0.00 C ATOM 0 H ALA A 66 7.821 -13.951 -12.218 1.00 0.00 H new ATOM 0 HA ALA A 66 8.805 -11.585 -10.687 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.909 -12.771 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.612 -13.723 -9.869 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.183 -14.142 -11.501 1.00 0.00 H new ATOM 1099 N LEU A 67 9.723 -10.461 -12.681 1.00 0.00 N ATOM 1100 CA LEU A 67 9.991 -9.560 -13.799 1.00 0.00 C ATOM 1101 C LEU A 67 11.435 -9.043 -13.674 1.00 0.00 C ATOM 1102 O LEU A 67 12.220 -9.564 -12.880 1.00 0.00 O ATOM 1103 CB LEU A 67 8.947 -8.418 -13.791 1.00 0.00 C ATOM 1104 CG LEU A 67 7.495 -8.894 -14.030 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.745 -9.105 -12.727 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.700 -7.878 -14.849 1.00 0.00 C ATOM 0 H LEU A 67 9.830 -9.989 -11.783 1.00 0.00 H new ATOM 0 HA LEU A 67 9.901 -10.074 -14.756 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.996 -7.901 -12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.212 -7.692 -14.559 1.00 0.00 H new ATOM 0 HG LEU A 67 7.580 -9.837 -14.570 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.730 -9.439 -12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.257 -9.860 -12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.709 -8.168 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.685 -8.245 -14.998 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.668 -6.927 -14.317 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.180 -7.736 -15.817 1.00 0.00 H new ATOM 1118 N ASP A 68 11.814 -8.044 -14.481 1.00 0.00 N ATOM 1119 CA ASP A 68 13.217 -7.628 -14.618 1.00 0.00 C ATOM 1120 C ASP A 68 13.824 -7.116 -13.305 1.00 0.00 C ATOM 1121 O ASP A 68 14.957 -7.471 -12.978 1.00 0.00 O ATOM 1122 CB ASP A 68 13.342 -6.566 -15.715 1.00 0.00 C ATOM 1123 CG ASP A 68 14.815 -6.237 -16.025 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.584 -7.163 -16.378 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.190 -5.040 -15.991 1.00 0.00 O ATOM 0 H ASP A 68 11.164 -7.505 -15.053 1.00 0.00 H new ATOM 0 HA ASP A 68 13.786 -8.515 -14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.850 -6.919 -16.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.824 -5.659 -15.404 1.00 0.00 H new ATOM 1130 N LYS A 69 13.068 -6.317 -12.532 1.00 0.00 N ATOM 1131 CA LYS A 69 13.526 -5.679 -11.282 1.00 0.00 C ATOM 1132 C LYS A 69 12.445 -5.689 -10.187 1.00 0.00 C ATOM 1133 O LYS A 69 12.458 -4.863 -9.271 1.00 0.00 O ATOM 1134 CB LYS A 69 14.034 -4.256 -11.565 1.00 0.00 C ATOM 1135 CG LYS A 69 15.330 -4.178 -12.379 1.00 0.00 C ATOM 1136 CD LYS A 69 16.547 -4.789 -11.655 1.00 0.00 C ATOM 1137 CE LYS A 69 17.872 -4.516 -12.385 1.00 0.00 C ATOM 1138 NZ LYS A 69 18.310 -3.095 -12.311 1.00 0.00 N ATOM 0 H LYS A 69 12.100 -6.091 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 69 14.355 -6.271 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.256 -3.708 -12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.189 -3.747 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.185 -4.693 -13.328 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.542 -3.134 -12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.604 -4.384 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.405 -5.865 -11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.650 -5.150 -11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.766 -4.801 -13.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.225 -2.988 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.602 -2.489 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.409 -2.814 -11.315 1.00 0.00 H new ATOM 1152 N GLY A 70 11.487 -6.607 -10.272 1.00 0.00 N ATOM 1153 CA GLY A 70 10.376 -6.696 -9.341 1.00 0.00 C ATOM 1154 C GLY A 70 9.522 -7.907 -9.668 1.00 0.00 C ATOM 1155 O GLY A 70 9.906 -8.743 -10.483 1.00 0.00 O ATOM 0 H GLY A 70 11.464 -7.319 -11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.751 -6.770 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.773 -5.790 -9.394 1.00 0.00 H new ATOM 1159 N LEU A 71 8.344 -7.995 -9.062 1.00 0.00 N ATOM 1160 CA LEU A 71 7.382 -9.078 -9.235 1.00 0.00 C ATOM 1161 C LEU A 71 5.990 -8.476 -9.390 1.00 0.00 C ATOM 1162 O LEU A 71 5.697 -7.471 -8.749 1.00 0.00 O ATOM 1163 CB LEU A 71 7.391 -10.006 -8.008 1.00 0.00 C ATOM 1164 CG LEU A 71 8.739 -10.713 -7.764 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.322 -10.208 -6.443 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.602 -12.234 -7.743 1.00 0.00 C ATOM 0 H LEU A 71 8.019 -7.283 -8.408 1.00 0.00 H new ATOM 0 HA LEU A 71 7.651 -9.657 -10.118 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.133 -9.424 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.614 -10.761 -8.131 1.00 0.00 H new ATOM 0 HG LEU A 71 9.409 -10.475 -8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.277 -10.699 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.473 -9.130 -6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.632 -10.435 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.579 -12.685 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.919 -12.527 -6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.210 -12.577 -8.700 1.00 0.00 H new ATOM 1178 N GLU A 72 5.117 -9.099 -10.180 1.00 0.00 N ATOM 1179 CA GLU A 72 3.685 -8.801 -10.128 1.00 0.00 C ATOM 1180 C GLU A 72 3.031 -9.906 -9.318 1.00 0.00 C ATOM 1181 O GLU A 72 3.137 -11.070 -9.701 1.00 0.00 O ATOM 1182 CB GLU A 72 3.000 -8.757 -11.505 1.00 0.00 C ATOM 1183 CG GLU A 72 3.187 -7.453 -12.283 1.00 0.00 C ATOM 1184 CD GLU A 72 2.308 -7.451 -13.547 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.113 -7.083 -13.451 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.801 -7.817 -14.640 1.00 0.00 O ATOM 0 H GLU A 72 5.375 -9.812 -10.863 1.00 0.00 H new ATOM 0 HA GLU A 72 3.572 -7.809 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.381 -9.580 -12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.933 -8.930 -11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.927 -6.604 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.234 -7.335 -12.561 1.00 0.00 H new ATOM 1193 N ILE A 73 2.337 -9.552 -8.238 1.00 0.00 N ATOM 1194 CA ILE A 73 1.640 -10.493 -7.386 1.00 0.00 C ATOM 1195 C ILE A 73 0.154 -10.218 -7.623 1.00 0.00 C ATOM 1196 O ILE A 73 -0.290 -9.074 -7.518 1.00 0.00 O ATOM 1197 CB ILE A 73 2.009 -10.292 -5.897 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.496 -10.334 -5.456 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.286 -11.355 -5.045 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.420 -9.277 -6.066 1.00 0.00 C ATOM 0 H ILE A 73 2.246 -8.583 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 73 1.910 -11.523 -7.621 1.00 0.00 H new ATOM 0 HB ILE A 73 1.702 -9.257 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.533 -10.234 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.896 -11.318 -5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.544 -11.217 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.208 -11.251 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.594 -12.350 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.431 -9.411 -5.680 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.429 -9.384 -7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.060 -8.283 -5.802 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.622 -11.244 -7.951 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.064 -11.172 -8.156 1.00 0.00 C ATOM 1214 C ILE A 74 -2.679 -11.921 -6.968 1.00 0.00 C ATOM 1215 O ILE A 74 -2.143 -12.939 -6.523 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.426 -11.777 -9.533 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -2.037 -10.939 -10.779 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -3.930 -12.070 -9.657 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.570 -10.513 -10.912 1.00 0.00 C ATOM 0 H ILE A 74 -0.251 -12.184 -8.087 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.452 -10.154 -8.184 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.822 -12.684 -9.541 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.303 -11.512 -11.667 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.651 -10.039 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.138 -12.494 -10.639 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.227 -12.780 -8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.492 -11.144 -9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.441 -9.935 -11.827 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.289 -9.902 -10.054 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.064 -11.399 -10.950 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.803 -11.422 -6.453 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.414 -11.885 -5.221 1.00 0.00 C ATOM 1233 C VAL A 75 -5.919 -11.967 -5.496 1.00 0.00 C ATOM 1234 O VAL A 75 -6.533 -10.942 -5.796 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.084 -10.938 -4.033 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -3.841 -11.747 -2.756 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -2.849 -10.037 -4.227 1.00 0.00 C ATOM 0 H VAL A 75 -4.322 -10.665 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.025 -12.860 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.959 -10.291 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.611 -11.069 -1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.735 -12.321 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.003 -12.427 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.708 -9.417 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.966 -10.658 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.998 -9.398 -5.097 1.00 0.00 H new ATOM 1247 N THR A 76 -6.509 -13.163 -5.466 1.00 0.00 N ATOM 1248 CA THR A 76 -7.835 -13.418 -6.035 1.00 0.00 C ATOM 1249 C THR A 76 -8.816 -13.848 -4.936 1.00 0.00 C ATOM 1250 O THR A 76 -8.417 -14.096 -3.792 1.00 0.00 O ATOM 1251 CB THR A 76 -7.754 -14.399 -7.237 1.00 0.00 C ATOM 1252 OG1 THR A 76 -7.714 -15.759 -6.885 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.521 -14.193 -8.126 1.00 0.00 C ATOM 0 H THR A 76 -6.079 -13.986 -5.045 1.00 0.00 H new ATOM 0 HA THR A 76 -8.234 -12.492 -6.450 1.00 0.00 H new ATOM 0 HB THR A 76 -8.678 -14.160 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.665 -16.306 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.536 -14.915 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.532 -13.183 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.617 -14.335 -7.533 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.108 -13.936 -5.277 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.159 -14.519 -4.450 1.00 0.00 C ATOM 1263 C LYS A 77 -12.037 -15.434 -5.300 1.00 0.00 C ATOM 1264 O LYS A 77 -11.874 -15.526 -6.519 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.995 -13.427 -3.780 1.00 0.00 C ATOM 1266 CG LYS A 77 -11.103 -12.505 -2.947 1.00 0.00 C ATOM 1267 CD LYS A 77 -11.967 -11.709 -1.975 1.00 0.00 C ATOM 1268 CE LYS A 77 -11.229 -10.506 -1.358 1.00 0.00 C ATOM 1269 NZ LYS A 77 -11.952 -9.947 -0.179 1.00 0.00 N ATOM 0 H LYS A 77 -10.457 -13.589 -6.170 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.697 -15.111 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.521 -12.847 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.754 -13.881 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.366 -13.092 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.551 -11.828 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.857 -11.354 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.307 -12.368 -1.176 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.227 -10.812 -1.056 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.111 -9.728 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.358 -9.231 0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.841 -9.508 -0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.162 -10.712 0.494 1.00 0.00 H new