USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 704 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 67 GLN : amide:sc= -6.01! C(o=-9.2!,f=-14!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.21 K(o=-9.2,f=-17!) USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.29 K(o=-9,f=-11!) USER MOD Set 2.2: A 37 MET CE :methyl -126:sc= -6.74! (180deg=-7.06!) USER MOD Single : A 1 MET CE :methyl -156:sc= 0 (180deg=-0.00176) USER MOD Single : A 1 MET N :NH3+ -170:sc= -4.67! (180deg=-5.51!) USER MOD Single : A 3 LYS NZ :NH3+ -164:sc= 0.00345 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -11:sc= 0.701 USER MOD Single : A 9 SER OG : rot 73:sc= 1.16 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.341 K(o=-0.34,f=-2.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -0.391 (180deg=-2.56!) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0386 (180deg=-0.267) USER MOD Single : A 29 GLN : amide:sc= -0.625 X(o=-0.62,f=-0.13) USER MOD Single : A 35 ASN : amide:sc= -1.45 K(o=-1.5,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.128) USER MOD Single : A 53 THR OG1 : rot 75:sc= 0.0607 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0553 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -122:sc= -3.61 (180deg=-8.86!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc=-0.00895 K(o=-0.0089,f=-1.3) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.920 0.052 -4.811 1.00 0.00 N ATOM 2 CA MET A 1 -10.550 -0.438 -5.129 1.00 0.00 C ATOM 3 C MET A 1 -9.479 0.245 -4.299 1.00 0.00 C ATOM 4 O MET A 1 -9.148 1.407 -4.525 1.00 0.00 O ATOM 5 CB MET A 1 -10.283 -0.189 -6.608 1.00 0.00 C ATOM 6 CG MET A 1 -9.048 -0.893 -7.145 1.00 0.00 C ATOM 7 SD MET A 1 -9.448 -2.404 -8.043 1.00 0.00 S ATOM 8 CE MET A 1 -10.030 -1.731 -9.598 1.00 0.00 C ATOM 0 H1 MET A 1 -12.623 -0.557 -5.276 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.067 0.028 -3.782 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.028 1.028 -5.153 1.00 0.00 H new ATOM 0 HA MET A 1 -10.506 -1.501 -4.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.151 -0.513 -7.182 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.176 0.883 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.506 -0.215 -7.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.382 -1.133 -6.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.691 -2.451 -10.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.575 -0.805 -9.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.179 -1.527 -10.248 1.00 0.00 H new ATOM 20 N PHE A 2 -8.912 -0.498 -3.359 1.00 0.00 N ATOM 21 CA PHE A 2 -7.855 0.032 -2.516 1.00 0.00 C ATOM 22 C PHE A 2 -6.542 0.051 -3.283 1.00 0.00 C ATOM 23 O PHE A 2 -6.295 -0.809 -4.128 1.00 0.00 O ATOM 24 CB PHE A 2 -7.717 -0.801 -1.242 1.00 0.00 C ATOM 25 CG PHE A 2 -8.876 -0.639 -0.301 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.985 -1.462 -0.399 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.857 0.341 0.678 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.054 -1.312 0.463 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.922 0.497 1.542 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.023 -0.331 1.435 1.00 0.00 C ATOM 0 H PHE A 2 -9.167 -1.466 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.112 1.052 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.621 -1.853 -1.512 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.798 -0.518 -0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.015 -2.230 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.999 0.991 0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.913 -1.961 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.895 1.265 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.858 -0.211 2.110 1.00 0.00 H new ATOM 40 N LYS A 3 -5.709 1.041 -3.000 1.00 0.00 N ATOM 41 CA LYS A 3 -4.433 1.164 -3.680 1.00 0.00 C ATOM 42 C LYS A 3 -3.287 0.849 -2.736 1.00 0.00 C ATOM 43 O LYS A 3 -3.138 1.484 -1.694 1.00 0.00 O ATOM 44 CB LYS A 3 -4.272 2.576 -4.241 1.00 0.00 C ATOM 45 CG LYS A 3 -4.890 2.758 -5.616 1.00 0.00 C ATOM 46 CD LYS A 3 -6.346 3.182 -5.519 1.00 0.00 C ATOM 47 CE LYS A 3 -6.716 4.160 -6.622 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.151 4.052 -7.001 1.00 0.00 N ATOM 0 H LYS A 3 -5.894 1.767 -2.307 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.412 0.447 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.727 3.286 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.211 2.818 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.328 3.508 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.818 1.825 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.987 2.303 -5.581 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.528 3.642 -4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.503 5.177 -6.292 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.094 3.972 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.305 4.522 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.415 3.049 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.737 4.509 -6.274 1.00 0.00 H new ATOM 62 N VAL A 4 -2.476 -0.136 -3.096 1.00 0.00 N ATOM 63 CA VAL A 4 -1.348 -0.506 -2.257 1.00 0.00 C ATOM 64 C VAL A 4 -0.021 -0.134 -2.897 1.00 0.00 C ATOM 65 O VAL A 4 0.258 -0.489 -4.042 1.00 0.00 O ATOM 66 CB VAL A 4 -1.317 -2.012 -1.925 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.013 -2.385 -1.291 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.448 -2.382 -0.994 1.00 0.00 C ATOM 0 H VAL A 4 -2.576 -0.685 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.486 0.056 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.438 -2.565 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.021 -3.451 -1.062 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.823 -2.157 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.150 -1.815 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.405 -3.449 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.355 -1.817 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.401 -2.147 -1.468 1.00 0.00 H new ATOM 78 N TYR A 5 0.807 0.545 -2.122 1.00 0.00 N ATOM 79 CA TYR A 5 2.126 0.934 -2.567 1.00 0.00 C ATOM 80 C TYR A 5 3.157 0.082 -1.848 1.00 0.00 C ATOM 81 O TYR A 5 3.492 0.345 -0.695 1.00 0.00 O ATOM 82 CB TYR A 5 2.385 2.411 -2.272 1.00 0.00 C ATOM 83 CG TYR A 5 1.554 3.367 -3.097 1.00 0.00 C ATOM 84 CD1 TYR A 5 1.178 3.053 -4.396 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.161 4.591 -2.578 1.00 0.00 C ATOM 86 CE1 TYR A 5 0.431 3.935 -5.153 1.00 0.00 C ATOM 87 CE2 TYR A 5 0.412 5.476 -3.329 1.00 0.00 C ATOM 88 CZ TYR A 5 0.051 5.144 -4.615 1.00 0.00 C ATOM 89 OH TYR A 5 -0.694 6.024 -5.366 1.00 0.00 O ATOM 0 H TYR A 5 0.582 0.839 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 5 2.197 0.783 -3.644 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.190 2.598 -1.216 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.440 2.624 -2.444 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.474 2.105 -4.821 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.445 4.857 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.146 3.677 -6.162 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.111 6.424 -2.909 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.879 6.829 -4.839 1.00 0.00 H new ATOM 99 N GLY A 6 3.641 -0.948 -2.520 1.00 0.00 N ATOM 100 CA GLY A 6 4.614 -1.821 -1.912 1.00 0.00 C ATOM 101 C GLY A 6 5.461 -2.531 -2.935 1.00 0.00 C ATOM 102 O GLY A 6 5.823 -1.956 -3.962 1.00 0.00 O ATOM 0 H GLY A 6 3.377 -1.194 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.257 -1.240 -1.251 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.102 -2.558 -1.293 1.00 0.00 H new ATOM 106 N TYR A 7 5.801 -3.773 -2.644 1.00 0.00 N ATOM 107 CA TYR A 7 6.635 -4.552 -3.523 1.00 0.00 C ATOM 108 C TYR A 7 5.995 -5.901 -3.841 1.00 0.00 C ATOM 109 O TYR A 7 5.180 -6.405 -3.070 1.00 0.00 O ATOM 110 CB TYR A 7 7.985 -4.733 -2.862 1.00 0.00 C ATOM 111 CG TYR A 7 8.560 -3.415 -2.406 1.00 0.00 C ATOM 112 CD1 TYR A 7 7.974 -2.725 -1.357 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.649 -2.836 -3.044 1.00 0.00 C ATOM 114 CE1 TYR A 7 8.451 -1.501 -0.954 1.00 0.00 C ATOM 115 CE2 TYR A 7 10.134 -1.613 -2.640 1.00 0.00 C ATOM 116 CZ TYR A 7 9.532 -0.945 -1.597 1.00 0.00 C ATOM 117 OH TYR A 7 10.012 0.282 -1.194 1.00 0.00 O ATOM 0 H TYR A 7 5.507 -4.261 -1.798 1.00 0.00 H new ATOM 0 HA TYR A 7 6.756 -4.029 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.886 -5.403 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.673 -5.208 -3.561 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.126 -3.157 -0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.121 -3.352 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.979 -0.978 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 7 10.986 -1.177 -3.141 1.00 0.00 H new ATOM 0 HH TYR A 7 9.380 0.691 -0.566 1.00 0.00 H new ATOM 127 N ASP A 8 6.361 -6.477 -4.981 1.00 0.00 N ATOM 128 CA ASP A 8 5.810 -7.764 -5.392 1.00 0.00 C ATOM 129 C ASP A 8 6.575 -8.917 -4.749 1.00 0.00 C ATOM 130 O ASP A 8 6.120 -9.501 -3.765 1.00 0.00 O ATOM 131 CB ASP A 8 5.840 -7.897 -6.919 1.00 0.00 C ATOM 132 CG ASP A 8 4.449 -7.978 -7.521 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.879 -9.089 -7.555 1.00 0.00 O ATOM 134 OD2 ASP A 8 3.929 -6.930 -7.958 1.00 0.00 O ATOM 0 H ASP A 8 7.034 -6.076 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 8 4.775 -7.810 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.368 -7.044 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.404 -8.789 -7.192 1.00 0.00 H new ATOM 139 N SER A 9 7.733 -9.245 -5.312 1.00 0.00 N ATOM 140 CA SER A 9 8.559 -10.333 -4.794 1.00 0.00 C ATOM 141 C SER A 9 9.771 -10.568 -5.690 1.00 0.00 C ATOM 142 O SER A 9 10.849 -10.915 -5.211 1.00 0.00 O ATOM 143 CB SER A 9 7.740 -11.623 -4.678 1.00 0.00 C ATOM 144 OG SER A 9 7.140 -11.736 -3.399 1.00 0.00 O ATOM 0 H SER A 9 8.122 -8.773 -6.128 1.00 0.00 H new ATOM 0 HA SER A 9 8.909 -10.046 -3.802 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.968 -11.637 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.385 -12.483 -4.858 1.00 0.00 H new ATOM 0 HG SER A 9 6.402 -11.096 -3.326 1.00 0.00 H new ATOM 150 N ASN A 10 9.587 -10.378 -6.996 1.00 0.00 N ATOM 151 CA ASN A 10 10.666 -10.572 -7.959 1.00 0.00 C ATOM 152 C ASN A 10 11.816 -9.596 -7.706 1.00 0.00 C ATOM 153 O ASN A 10 12.974 -10.002 -7.618 1.00 0.00 O ATOM 154 CB ASN A 10 10.144 -10.404 -9.388 1.00 0.00 C ATOM 155 CG ASN A 10 9.224 -11.535 -9.803 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.565 -12.708 -9.672 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.047 -11.184 -10.308 1.00 0.00 N ATOM 0 H ASN A 10 8.700 -10.090 -7.410 1.00 0.00 H new ATOM 0 HA ASN A 10 11.044 -11.587 -7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.610 -9.457 -9.468 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.987 -10.354 -10.077 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.385 -11.901 -10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.805 -10.197 -10.399 1.00 0.00 H new ATOM 164 N ILE A 11 11.492 -8.307 -7.594 1.00 0.00 N ATOM 165 CA ILE A 11 12.507 -7.281 -7.354 1.00 0.00 C ATOM 166 C ILE A 11 12.724 -7.060 -5.863 1.00 0.00 C ATOM 167 O ILE A 11 13.852 -6.860 -5.410 1.00 0.00 O ATOM 168 CB ILE A 11 12.135 -5.916 -7.985 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.124 -6.070 -9.125 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.385 -5.207 -8.472 1.00 0.00 C ATOM 171 CD1 ILE A 11 11.512 -7.100 -10.165 1.00 0.00 C ATOM 0 H ILE A 11 10.539 -7.950 -7.665 1.00 0.00 H new ATOM 0 HA ILE A 11 13.417 -7.655 -7.823 1.00 0.00 H new ATOM 0 HB ILE A 11 11.661 -5.312 -7.212 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.157 -6.343 -8.703 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.997 -5.105 -9.616 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.111 -4.249 -8.914 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.059 -5.040 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.884 -5.822 -9.221 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.743 -7.146 -10.936 1.00 0.00 H new ATOM 0 HD12 ILE A 11 12.463 -6.820 -10.618 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.610 -8.077 -9.691 1.00 0.00 H new ATOM 183 N HIS A 12 11.631 -7.077 -5.110 1.00 0.00 N ATOM 184 CA HIS A 12 11.687 -6.855 -3.678 1.00 0.00 C ATOM 185 C HIS A 12 10.739 -7.788 -2.945 1.00 0.00 C ATOM 186 O HIS A 12 9.619 -8.037 -3.392 1.00 0.00 O ATOM 187 CB HIS A 12 11.333 -5.403 -3.384 1.00 0.00 C ATOM 188 CG HIS A 12 11.741 -4.919 -2.033 1.00 0.00 C ATOM 189 ND1 HIS A 12 11.090 -5.244 -0.870 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.758 -4.103 -1.678 1.00 0.00 C ATOM 191 CE1 HIS A 12 11.722 -4.633 0.141 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.745 -3.926 -0.298 1.00 0.00 N ATOM 0 H HIS A 12 10.693 -7.243 -5.473 1.00 0.00 H new ATOM 0 HA HIS A 12 12.697 -7.065 -3.326 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.802 -4.770 -4.138 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.255 -5.278 -3.489 1.00 0.00 H new ATOM 0 HD1 HIS A 12 10.270 -5.845 -0.789 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.469 -3.658 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.432 -4.709 1.179 1.00 0.00 H new ATOM 200 N LYS A 13 11.199 -8.301 -1.818 1.00 0.00 N ATOM 201 CA LYS A 13 10.398 -9.217 -1.015 1.00 0.00 C ATOM 202 C LYS A 13 9.397 -8.461 -0.147 1.00 0.00 C ATOM 203 O LYS A 13 9.409 -7.231 -0.092 1.00 0.00 O ATOM 204 CB LYS A 13 11.296 -10.086 -0.133 1.00 0.00 C ATOM 205 CG LYS A 13 10.996 -11.572 -0.239 1.00 0.00 C ATOM 206 CD LYS A 13 11.530 -12.332 0.963 1.00 0.00 C ATOM 207 CE LYS A 13 10.462 -12.506 2.030 1.00 0.00 C ATOM 208 NZ LYS A 13 9.656 -13.738 1.810 1.00 0.00 N ATOM 0 H LYS A 13 12.123 -8.101 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 13 9.844 -9.858 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.337 -9.913 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.183 -9.774 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.919 -11.723 -0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.441 -11.971 -1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.891 -13.310 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.382 -11.798 1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.933 -12.550 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.804 -11.637 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.938 -13.822 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.186 -13.685 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.280 -14.570 1.834 1.00 0.00 H new ATOM 222 N CYS A 14 8.538 -9.214 0.534 1.00 0.00 N ATOM 223 CA CYS A 14 7.526 -8.634 1.410 1.00 0.00 C ATOM 224 C CYS A 14 6.605 -9.715 1.968 1.00 0.00 C ATOM 225 O CYS A 14 5.844 -10.338 1.229 1.00 0.00 O ATOM 226 CB CYS A 14 6.698 -7.583 0.666 1.00 0.00 C ATOM 227 SG CYS A 14 5.927 -8.187 -0.872 1.00 0.00 S ATOM 0 H CYS A 14 8.523 -10.233 0.495 1.00 0.00 H new ATOM 0 HA CYS A 14 8.044 -8.152 2.239 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.916 -7.216 1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.339 -6.734 0.428 1.00 0.00 H new ATOM 232 N VAL A 15 6.676 -9.924 3.280 1.00 0.00 N ATOM 233 CA VAL A 15 5.845 -10.924 3.945 1.00 0.00 C ATOM 234 C VAL A 15 4.528 -10.315 4.404 1.00 0.00 C ATOM 235 O VAL A 15 3.506 -10.998 4.474 1.00 0.00 O ATOM 236 CB VAL A 15 6.558 -11.529 5.168 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.649 -12.492 4.732 1.00 0.00 C ATOM 238 CG2 VAL A 15 7.126 -10.429 6.048 1.00 0.00 C ATOM 0 H VAL A 15 7.301 -9.414 3.904 1.00 0.00 H new ATOM 0 HA VAL A 15 5.655 -11.712 3.216 1.00 0.00 H new ATOM 0 HB VAL A 15 5.828 -12.090 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.140 -12.908 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.209 -13.299 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.382 -11.961 4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.627 -10.873 6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.842 -9.839 5.476 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.317 -9.784 6.392 1.00 0.00 H new ATOM 248 N TYR A 16 4.559 -9.025 4.722 1.00 0.00 N ATOM 249 CA TYR A 16 3.368 -8.323 5.180 1.00 0.00 C ATOM 250 C TYR A 16 2.521 -7.848 4.002 1.00 0.00 C ATOM 251 O TYR A 16 1.352 -7.501 4.169 1.00 0.00 O ATOM 252 CB TYR A 16 3.757 -7.135 6.064 1.00 0.00 C ATOM 253 CG TYR A 16 3.411 -7.337 7.521 1.00 0.00 C ATOM 254 CD1 TYR A 16 4.036 -8.324 8.276 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.452 -6.548 8.140 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.715 -8.516 9.606 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.126 -6.733 9.469 1.00 0.00 C ATOM 258 CZ TYR A 16 2.759 -7.718 10.198 1.00 0.00 C ATOM 259 OH TYR A 16 2.437 -7.903 11.521 1.00 0.00 O ATOM 0 H TYR A 16 5.397 -8.445 4.671 1.00 0.00 H new ATOM 0 HA TYR A 16 2.771 -9.021 5.767 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.829 -6.959 5.973 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.255 -6.239 5.699 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.785 -8.951 7.815 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.952 -5.776 7.573 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.210 -9.287 10.179 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.378 -6.109 9.936 1.00 0.00 H new ATOM 0 HH TYR A 16 1.747 -7.258 11.783 1.00 0.00 H new ATOM 269 N CYS A 17 3.112 -7.834 2.808 1.00 0.00 N ATOM 270 CA CYS A 17 2.398 -7.401 1.613 1.00 0.00 C ATOM 271 C CYS A 17 1.351 -8.435 1.205 1.00 0.00 C ATOM 272 O CYS A 17 0.219 -8.087 0.867 1.00 0.00 O ATOM 273 CB CYS A 17 3.380 -7.153 0.461 1.00 0.00 C ATOM 274 SG CYS A 17 4.033 -8.670 -0.322 1.00 0.00 S ATOM 0 H CYS A 17 4.078 -8.116 2.645 1.00 0.00 H new ATOM 0 HA CYS A 17 1.887 -6.466 1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.882 -6.552 -0.300 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.217 -6.564 0.835 1.00 0.00 H new ATOM 279 N ASP A 18 1.735 -9.708 1.246 1.00 0.00 N ATOM 280 CA ASP A 18 0.833 -10.795 0.881 1.00 0.00 C ATOM 281 C ASP A 18 -0.279 -10.943 1.912 1.00 0.00 C ATOM 282 O ASP A 18 -1.429 -11.215 1.568 1.00 0.00 O ATOM 283 CB ASP A 18 1.610 -12.108 0.760 1.00 0.00 C ATOM 284 CG ASP A 18 1.131 -12.958 -0.402 1.00 0.00 C ATOM 285 OD1 ASP A 18 0.043 -13.560 -0.287 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.844 -13.020 -1.425 1.00 0.00 O ATOM 0 H ASP A 18 2.667 -10.012 1.529 1.00 0.00 H new ATOM 0 HA ASP A 18 0.383 -10.556 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.670 -11.889 0.634 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.509 -12.674 1.686 1.00 0.00 H new ATOM 291 N ASN A 19 0.075 -10.763 3.180 1.00 0.00 N ATOM 292 CA ASN A 19 -0.889 -10.877 4.268 1.00 0.00 C ATOM 293 C ASN A 19 -2.047 -9.904 4.073 1.00 0.00 C ATOM 294 O ASN A 19 -3.215 -10.282 4.180 1.00 0.00 O ATOM 295 CB ASN A 19 -0.197 -10.617 5.609 1.00 0.00 C ATOM 296 CG ASN A 19 0.950 -11.581 5.856 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.175 -12.506 5.075 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.680 -11.370 6.944 1.00 0.00 N ATOM 0 H ASN A 19 1.024 -10.537 3.480 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.293 -11.889 4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.179 -9.594 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.925 -10.706 6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.463 -11.987 7.160 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.458 -10.591 7.564 1.00 0.00 H new ATOM 305 N ALA A 20 -1.719 -8.649 3.789 1.00 0.00 N ATOM 306 CA ALA A 20 -2.741 -7.636 3.576 1.00 0.00 C ATOM 307 C ALA A 20 -3.572 -7.957 2.340 1.00 0.00 C ATOM 308 O ALA A 20 -4.791 -7.792 2.342 1.00 0.00 O ATOM 309 CB ALA A 20 -2.117 -6.253 3.459 1.00 0.00 C ATOM 0 H ALA A 20 -0.760 -8.312 3.702 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.403 -7.638 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.901 -5.512 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.577 -6.019 4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.426 -6.236 2.617 1.00 0.00 H new ATOM 315 N LYS A 21 -2.910 -8.433 1.289 1.00 0.00 N ATOM 316 CA LYS A 21 -3.599 -8.790 0.054 1.00 0.00 C ATOM 317 C LYS A 21 -4.791 -9.691 0.358 1.00 0.00 C ATOM 318 O LYS A 21 -5.851 -9.575 -0.259 1.00 0.00 O ATOM 319 CB LYS A 21 -2.643 -9.498 -0.909 1.00 0.00 C ATOM 320 CG LYS A 21 -1.675 -8.557 -1.608 1.00 0.00 C ATOM 321 CD LYS A 21 -2.249 -8.044 -2.919 1.00 0.00 C ATOM 322 CE LYS A 21 -2.329 -9.148 -3.961 1.00 0.00 C ATOM 323 NZ LYS A 21 -1.183 -9.102 -4.911 1.00 0.00 N ATOM 0 H LYS A 21 -1.901 -8.580 1.268 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.956 -7.875 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.074 -10.247 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.226 -10.030 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.448 -7.715 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.735 -9.075 -1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.243 -7.633 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.629 -7.231 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.348 -10.117 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.263 -9.057 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.276 -9.871 -5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.179 -8.188 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.292 -9.215 -4.386 1.00 0.00 H new ATOM 337 N ARG A 22 -4.608 -10.582 1.329 1.00 0.00 N ATOM 338 CA ARG A 22 -5.662 -11.499 1.739 1.00 0.00 C ATOM 339 C ARG A 22 -6.711 -10.764 2.565 1.00 0.00 C ATOM 340 O ARG A 22 -7.886 -11.125 2.560 1.00 0.00 O ATOM 341 CB ARG A 22 -5.073 -12.656 2.549 1.00 0.00 C ATOM 342 CG ARG A 22 -6.091 -13.721 2.919 1.00 0.00 C ATOM 343 CD ARG A 22 -5.413 -14.991 3.409 1.00 0.00 C ATOM 344 NE ARG A 22 -6.382 -16.020 3.779 1.00 0.00 N ATOM 345 CZ ARG A 22 -6.083 -17.311 3.897 1.00 0.00 C ATOM 346 NH1 ARG A 22 -4.844 -17.735 3.682 1.00 0.00 N ATOM 347 NH2 ARG A 22 -7.026 -18.180 4.236 1.00 0.00 N ATOM 0 H ARG A 22 -3.735 -10.687 1.847 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.138 -11.902 0.845 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.269 -13.118 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.627 -12.260 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.754 -13.338 3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.712 -13.949 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.756 -15.375 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.785 -14.758 4.269 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.344 -15.732 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.115 -17.070 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.621 -18.726 3.774 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.979 -17.858 4.406 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.798 -19.170 4.327 1.00 0.00 H new ATOM 361 N LEU A 23 -6.277 -9.718 3.266 1.00 0.00 N ATOM 362 CA LEU A 23 -7.174 -8.915 4.090 1.00 0.00 C ATOM 363 C LEU A 23 -8.346 -8.410 3.258 1.00 0.00 C ATOM 364 O LEU A 23 -9.508 -8.645 3.589 1.00 0.00 O ATOM 365 CB LEU A 23 -6.412 -7.727 4.690 1.00 0.00 C ATOM 366 CG LEU A 23 -7.045 -7.073 5.925 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.478 -5.677 6.132 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.560 -7.007 5.799 1.00 0.00 C ATOM 0 H LEU A 23 -5.306 -9.407 3.279 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.558 -9.538 4.897 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.409 -8.061 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.301 -6.966 3.918 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.803 -7.689 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.936 -5.225 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.399 -5.740 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.691 -5.064 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.979 -6.539 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.827 -6.420 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.961 -8.015 5.697 1.00 0.00 H new ATOM 380 N LEU A 24 -8.025 -7.721 2.171 1.00 0.00 N ATOM 381 CA LEU A 24 -9.046 -7.179 1.281 1.00 0.00 C ATOM 382 C LEU A 24 -9.871 -8.299 0.660 1.00 0.00 C ATOM 383 O LEU A 24 -11.102 -8.246 0.651 1.00 0.00 O ATOM 384 CB LEU A 24 -8.399 -6.331 0.184 1.00 0.00 C ATOM 385 CG LEU A 24 -7.246 -5.430 0.643 1.00 0.00 C ATOM 386 CD1 LEU A 24 -7.048 -4.282 -0.333 1.00 0.00 C ATOM 387 CD2 LEU A 24 -7.503 -4.892 2.044 1.00 0.00 C ATOM 0 H LEU A 24 -7.066 -7.524 1.883 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.711 -6.547 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.029 -6.997 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.168 -5.706 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.336 -6.030 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.226 -3.652 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.815 -4.680 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.961 -3.689 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.672 -4.256 2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.425 -4.310 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.597 -5.724 2.742 1.00 0.00 H new ATOM 399 N THR A 25 -9.186 -9.318 0.149 1.00 0.00 N ATOM 400 CA THR A 25 -9.860 -10.456 -0.466 1.00 0.00 C ATOM 401 C THR A 25 -10.847 -11.084 0.513 1.00 0.00 C ATOM 402 O THR A 25 -11.916 -11.554 0.122 1.00 0.00 O ATOM 403 CB THR A 25 -8.836 -11.498 -0.917 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.804 -10.892 -1.674 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.438 -12.600 -1.763 1.00 0.00 C ATOM 0 H THR A 25 -8.168 -9.379 0.149 1.00 0.00 H new ATOM 0 HA THR A 25 -10.410 -10.101 -1.338 1.00 0.00 H new ATOM 0 HB THR A 25 -8.446 -11.937 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.105 -10.565 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.658 -13.306 -2.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.206 -13.120 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.884 -12.168 -2.659 1.00 0.00 H new ATOM 413 N VAL A 26 -10.479 -11.079 1.791 1.00 0.00 N ATOM 414 CA VAL A 26 -11.323 -11.639 2.841 1.00 0.00 C ATOM 415 C VAL A 26 -12.454 -10.678 3.204 1.00 0.00 C ATOM 416 O VAL A 26 -13.520 -11.100 3.652 1.00 0.00 O ATOM 417 CB VAL A 26 -10.496 -11.956 4.105 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.391 -12.428 5.242 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.429 -12.995 3.796 1.00 0.00 C ATOM 0 H VAL A 26 -9.597 -10.691 2.125 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.752 -12.564 2.455 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.004 -11.038 4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.781 -12.644 6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.113 -11.648 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.921 -13.331 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.855 -13.207 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.904 -13.911 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.762 -12.613 3.023 1.00 0.00 H new ATOM 429 N LYS A 27 -12.213 -9.385 3.008 1.00 0.00 N ATOM 430 CA LYS A 27 -13.210 -8.365 3.315 1.00 0.00 C ATOM 431 C LYS A 27 -14.270 -8.276 2.217 1.00 0.00 C ATOM 432 O LYS A 27 -15.299 -7.623 2.392 1.00 0.00 O ATOM 433 CB LYS A 27 -12.533 -7.004 3.502 1.00 0.00 C ATOM 434 CG LYS A 27 -12.952 -6.284 4.773 1.00 0.00 C ATOM 435 CD LYS A 27 -11.965 -6.526 5.906 1.00 0.00 C ATOM 436 CE LYS A 27 -12.669 -6.983 7.175 1.00 0.00 C ATOM 437 NZ LYS A 27 -13.903 -6.194 7.442 1.00 0.00 N ATOM 0 H LYS A 27 -11.336 -9.019 2.638 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.707 -8.650 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.452 -7.144 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.763 -6.372 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.027 -5.214 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.943 -6.624 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.238 -7.279 5.601 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.410 -5.610 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.925 -8.039 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.988 -6.889 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.960 -5.971 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.875 -5.310 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.737 -6.749 7.162 1.00 0.00 H new ATOM 451 N LYS A 28 -14.013 -8.929 1.085 1.00 0.00 N ATOM 452 CA LYS A 28 -14.948 -8.917 -0.039 1.00 0.00 C ATOM 453 C LYS A 28 -14.946 -7.558 -0.731 1.00 0.00 C ATOM 454 O LYS A 28 -15.989 -7.065 -1.160 1.00 0.00 O ATOM 455 CB LYS A 28 -16.364 -9.265 0.430 1.00 0.00 C ATOM 456 CG LYS A 28 -16.416 -10.438 1.394 1.00 0.00 C ATOM 457 CD LYS A 28 -15.772 -11.679 0.796 1.00 0.00 C ATOM 458 CE LYS A 28 -16.490 -12.124 -0.468 1.00 0.00 C ATOM 459 NZ LYS A 28 -17.940 -12.365 -0.228 1.00 0.00 N ATOM 0 H LYS A 28 -13.166 -9.473 0.922 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.621 -9.672 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.803 -8.391 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.980 -9.493 -0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.906 -10.172 2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.453 -10.653 1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.726 -11.474 0.569 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.787 -12.487 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.371 -11.363 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.028 -13.036 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.347 -12.871 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.059 -12.938 0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.428 -11.455 -0.107 1.00 0.00 H new ATOM 473 N GLN A 29 -13.764 -6.963 -0.839 1.00 0.00 N ATOM 474 CA GLN A 29 -13.618 -5.665 -1.479 1.00 0.00 C ATOM 475 C GLN A 29 -12.534 -5.715 -2.551 1.00 0.00 C ATOM 476 O GLN A 29 -11.509 -6.373 -2.376 1.00 0.00 O ATOM 477 CB GLN A 29 -13.277 -4.595 -0.436 1.00 0.00 C ATOM 478 CG GLN A 29 -14.407 -3.611 -0.179 1.00 0.00 C ATOM 479 CD GLN A 29 -15.718 -4.301 0.144 1.00 0.00 C ATOM 480 OE1 GLN A 29 -15.932 -4.761 1.266 1.00 0.00 O ATOM 481 NE2 GLN A 29 -16.605 -4.375 -0.841 1.00 0.00 N ATOM 0 H GLN A 29 -12.892 -7.361 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.565 -5.407 -1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.013 -5.085 0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.396 -4.045 -0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.132 -2.956 0.647 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.540 -2.979 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.386 -3.980 -1.756 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.506 -4.827 -0.683 1.00 0.00 H new ATOM 490 N PRO A 30 -12.738 -5.012 -3.679 1.00 0.00 N ATOM 491 CA PRO A 30 -11.766 -4.979 -4.772 1.00 0.00 C ATOM 492 C PRO A 30 -10.627 -4.018 -4.479 1.00 0.00 C ATOM 493 O PRO A 30 -10.790 -3.080 -3.703 1.00 0.00 O ATOM 494 CB PRO A 30 -12.598 -4.461 -5.939 1.00 0.00 C ATOM 495 CG PRO A 30 -13.554 -3.528 -5.289 1.00 0.00 C ATOM 496 CD PRO A 30 -13.926 -4.185 -3.983 1.00 0.00 C ATOM 0 HA PRO A 30 -11.297 -5.947 -4.949 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.980 -3.953 -6.679 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.114 -5.270 -6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.099 -2.552 -5.122 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.433 -3.368 -5.913 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.117 -3.450 -3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.827 -4.791 -4.078 1.00 0.00 H new ATOM 504 N PHE A 31 -9.480 -4.246 -5.105 1.00 0.00 N ATOM 505 CA PHE A 31 -8.325 -3.383 -4.904 1.00 0.00 C ATOM 506 C PHE A 31 -7.306 -3.550 -6.029 1.00 0.00 C ATOM 507 O PHE A 31 -7.430 -4.452 -6.857 1.00 0.00 O ATOM 508 CB PHE A 31 -7.683 -3.667 -3.559 1.00 0.00 C ATOM 509 CG PHE A 31 -7.026 -5.002 -3.513 1.00 0.00 C ATOM 510 CD1 PHE A 31 -7.748 -6.119 -3.148 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.700 -5.140 -3.858 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.156 -7.362 -3.127 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.094 -6.376 -3.837 1.00 0.00 C ATOM 514 CZ PHE A 31 -5.822 -7.495 -3.471 1.00 0.00 C ATOM 0 H PHE A 31 -9.325 -5.018 -5.753 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.670 -2.349 -4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.945 -2.895 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.442 -3.612 -2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.788 -6.018 -2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.130 -4.270 -4.148 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.731 -8.231 -2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.052 -6.472 -4.106 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.351 -8.467 -3.454 1.00 0.00 H new ATOM 524 N GLU A 32 -6.299 -2.679 -6.054 1.00 0.00 N ATOM 525 CA GLU A 32 -5.269 -2.744 -7.082 1.00 0.00 C ATOM 526 C GLU A 32 -3.886 -2.532 -6.481 1.00 0.00 C ATOM 527 O GLU A 32 -3.659 -1.573 -5.742 1.00 0.00 O ATOM 528 CB GLU A 32 -5.531 -1.698 -8.167 1.00 0.00 C ATOM 529 CG GLU A 32 -5.000 -2.093 -9.535 1.00 0.00 C ATOM 530 CD GLU A 32 -5.340 -1.080 -10.611 1.00 0.00 C ATOM 531 OE1 GLU A 32 -6.147 -0.168 -10.334 1.00 0.00 O ATOM 532 OE2 GLU A 32 -4.799 -1.199 -11.730 1.00 0.00 O ATOM 0 H GLU A 32 -6.177 -1.925 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.303 -3.737 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.604 -1.524 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.074 -0.755 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.918 -2.209 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.411 -3.064 -9.813 1.00 0.00 H new ATOM 539 N PHE A 33 -2.967 -3.435 -6.802 1.00 0.00 N ATOM 540 CA PHE A 33 -1.608 -3.358 -6.299 1.00 0.00 C ATOM 541 C PHE A 33 -0.728 -2.532 -7.228 1.00 0.00 C ATOM 542 O PHE A 33 -0.998 -2.417 -8.422 1.00 0.00 O ATOM 543 CB PHE A 33 -1.029 -4.763 -6.155 1.00 0.00 C ATOM 544 CG PHE A 33 0.138 -4.820 -5.223 1.00 0.00 C ATOM 545 CD1 PHE A 33 -0.046 -4.646 -3.868 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.416 -5.034 -5.706 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.027 -4.688 -2.999 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.495 -5.072 -4.845 1.00 0.00 C ATOM 549 CZ PHE A 33 2.299 -4.899 -3.488 1.00 0.00 C ATOM 0 H PHE A 33 -3.144 -4.233 -7.413 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.631 -2.871 -5.324 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.807 -5.436 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.722 -5.126 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.040 -4.475 -3.482 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.572 -5.173 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.870 -4.556 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.490 -5.237 -5.231 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.141 -4.929 -2.812 1.00 0.00 H new ATOM 559 N ILE A 34 0.332 -1.965 -6.664 1.00 0.00 N ATOM 560 CA ILE A 34 1.270 -1.153 -7.427 1.00 0.00 C ATOM 561 C ILE A 34 2.674 -1.305 -6.867 1.00 0.00 C ATOM 562 O ILE A 34 2.932 -0.998 -5.703 1.00 0.00 O ATOM 563 CB ILE A 34 0.890 0.338 -7.414 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.613 0.510 -7.633 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.678 1.094 -8.471 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.113 1.908 -7.342 1.00 0.00 C ATOM 0 H ILE A 34 0.564 -2.054 -5.675 1.00 0.00 H new ATOM 0 HA ILE A 34 1.232 -1.509 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 34 1.141 0.752 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.852 0.255 -8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.147 -0.197 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.398 2.147 -8.449 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.745 0.998 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.457 0.680 -9.455 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.187 1.954 -7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.906 2.159 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.606 2.619 -7.995 1.00 0.00 H new ATOM 578 N ASN A 35 3.573 -1.785 -7.705 1.00 0.00 N ATOM 579 CA ASN A 35 4.958 -1.988 -7.308 1.00 0.00 C ATOM 580 C ASN A 35 5.766 -0.712 -7.495 1.00 0.00 C ATOM 581 O ASN A 35 6.035 -0.295 -8.621 1.00 0.00 O ATOM 582 CB ASN A 35 5.583 -3.130 -8.112 1.00 0.00 C ATOM 583 CG ASN A 35 5.635 -2.831 -9.597 1.00 0.00 C ATOM 584 OD1 ASN A 35 6.589 -2.225 -10.086 1.00 0.00 O ATOM 585 ND2 ASN A 35 4.608 -3.254 -10.324 1.00 0.00 N ATOM 0 H ASN A 35 3.370 -2.044 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 35 4.972 -2.254 -6.251 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.593 -3.318 -7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.010 -4.042 -7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.589 -3.081 -11.329 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.838 -3.753 -9.878 1.00 0.00 H new ATOM 592 N ILE A 36 6.150 -0.096 -6.384 1.00 0.00 N ATOM 593 CA ILE A 36 6.929 1.132 -6.426 1.00 0.00 C ATOM 594 C ILE A 36 8.413 0.828 -6.541 1.00 0.00 C ATOM 595 O ILE A 36 9.215 1.232 -5.701 1.00 0.00 O ATOM 596 CB ILE A 36 6.679 1.997 -5.180 1.00 0.00 C ATOM 597 CG1 ILE A 36 6.863 1.165 -3.911 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.284 2.594 -5.240 1.00 0.00 C ATOM 599 CD1 ILE A 36 7.132 1.997 -2.675 1.00 0.00 C ATOM 0 H ILE A 36 5.934 -0.428 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 36 6.607 1.687 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 36 7.404 2.811 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.968 0.565 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.690 0.471 -4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.112 3.206 -4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.191 3.213 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.546 1.792 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.252 1.340 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.043 2.578 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.295 2.673 -2.502 1.00 0.00 H new ATOM 611 N MET A 37 8.766 0.115 -7.598 1.00 0.00 N ATOM 612 CA MET A 37 10.153 -0.252 -7.840 1.00 0.00 C ATOM 613 C MET A 37 10.320 -0.924 -9.198 1.00 0.00 C ATOM 614 O MET A 37 10.235 -2.147 -9.308 1.00 0.00 O ATOM 615 CB MET A 37 10.665 -1.182 -6.739 1.00 0.00 C ATOM 616 CG MET A 37 12.170 -1.394 -6.785 1.00 0.00 C ATOM 617 SD MET A 37 12.694 -2.866 -5.884 1.00 0.00 S ATOM 618 CE MET A 37 12.842 -2.210 -4.226 1.00 0.00 C ATOM 0 H MET A 37 8.111 -0.222 -8.303 1.00 0.00 H new ATOM 0 HA MET A 37 10.740 0.667 -7.835 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.392 -0.769 -5.768 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.166 -2.147 -6.826 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.490 -1.476 -7.824 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.669 -0.520 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.836 -2.428 -3.836 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.689 -1.131 -4.247 1.00 0.00 H new ATOM 0 HE3 MET A 37 12.091 -2.671 -3.584 1.00 0.00 H new ATOM 628 N PRO A 38 10.571 -0.133 -10.253 1.00 0.00 N ATOM 629 CA PRO A 38 10.763 -0.667 -11.603 1.00 0.00 C ATOM 630 C PRO A 38 12.067 -1.448 -11.712 1.00 0.00 C ATOM 631 O PRO A 38 12.228 -2.299 -12.587 1.00 0.00 O ATOM 632 CB PRO A 38 10.811 0.586 -12.480 1.00 0.00 C ATOM 633 CG PRO A 38 11.265 1.671 -11.566 1.00 0.00 C ATOM 634 CD PRO A 38 10.700 1.336 -10.214 1.00 0.00 C ATOM 0 HA PRO A 38 9.977 -1.365 -11.891 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.499 0.458 -13.315 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.832 0.810 -12.905 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.353 1.723 -11.532 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.910 2.643 -11.908 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.361 1.660 -9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.737 1.820 -10.049 1.00 0.00 H new ATOM 642 N GLU A 39 12.995 -1.149 -10.807 1.00 0.00 N ATOM 643 CA GLU A 39 14.289 -1.812 -10.781 1.00 0.00 C ATOM 644 C GLU A 39 14.769 -1.982 -9.346 1.00 0.00 C ATOM 645 O GLU A 39 14.559 -1.107 -8.506 1.00 0.00 O ATOM 646 CB GLU A 39 15.314 -1.007 -11.582 1.00 0.00 C ATOM 647 CG GLU A 39 16.531 -1.816 -12.001 1.00 0.00 C ATOM 648 CD GLU A 39 16.359 -2.463 -13.361 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.739 -1.834 -14.245 1.00 0.00 O ATOM 650 OE2 GLU A 39 16.845 -3.598 -13.543 1.00 0.00 O ATOM 0 H GLU A 39 12.870 -0.446 -10.078 1.00 0.00 H new ATOM 0 HA GLU A 39 14.181 -2.797 -11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.832 -0.605 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.642 -0.156 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 39 17.406 -1.166 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 39 16.723 -2.589 -11.257 1.00 0.00 H new ATOM 657 N LYS A 40 15.422 -3.107 -9.066 1.00 0.00 N ATOM 658 CA LYS A 40 15.931 -3.379 -7.723 1.00 0.00 C ATOM 659 C LYS A 40 16.877 -2.289 -7.236 1.00 0.00 C ATOM 660 O LYS A 40 17.273 -2.263 -6.071 1.00 0.00 O ATOM 661 CB LYS A 40 16.625 -4.744 -7.671 1.00 0.00 C ATOM 662 CG LYS A 40 17.947 -4.790 -8.424 1.00 0.00 C ATOM 663 CD LYS A 40 18.814 -5.946 -7.951 1.00 0.00 C ATOM 664 CE LYS A 40 19.525 -6.621 -9.114 1.00 0.00 C ATOM 665 NZ LYS A 40 20.458 -7.685 -8.650 1.00 0.00 N ATOM 0 H LYS A 40 15.611 -3.842 -9.747 1.00 0.00 H new ATOM 0 HA LYS A 40 15.071 -3.392 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.801 -5.012 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.955 -5.498 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.756 -4.890 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.481 -3.851 -8.282 1.00 0.00 H new ATOM 0 HD2 LYS A 40 19.551 -5.581 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.196 -6.676 -7.428 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.787 -7.054 -9.789 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.079 -5.875 -9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.923 -8.121 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.178 -7.268 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.926 -8.410 -8.128 1.00 0.00 H new ATOM 679 N GLY A 41 17.227 -1.403 -8.138 1.00 0.00 N ATOM 680 CA GLY A 41 18.125 -0.311 -7.818 1.00 0.00 C ATOM 681 C GLY A 41 17.447 0.811 -7.053 1.00 0.00 C ATOM 682 O GLY A 41 17.904 1.194 -5.974 1.00 0.00 O ATOM 0 H GLY A 41 16.903 -1.415 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.958 -0.694 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.545 0.088 -8.741 1.00 0.00 H new ATOM 686 N VAL A 42 16.363 1.350 -7.609 1.00 0.00 N ATOM 687 CA VAL A 42 15.649 2.448 -6.963 1.00 0.00 C ATOM 688 C VAL A 42 14.151 2.426 -7.268 1.00 0.00 C ATOM 689 O VAL A 42 13.734 2.082 -8.375 1.00 0.00 O ATOM 690 CB VAL A 42 16.216 3.813 -7.402 1.00 0.00 C ATOM 691 CG1 VAL A 42 15.611 4.938 -6.576 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.735 3.826 -7.303 1.00 0.00 C ATOM 0 H VAL A 42 15.963 1.047 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 42 15.791 2.310 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 42 15.944 3.973 -8.445 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.025 5.892 -6.902 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.529 4.947 -6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 15.845 4.782 -5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.112 4.799 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.034 3.637 -6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.148 3.051 -7.948 1.00 0.00 H new ATOM 702 N PHE A 43 13.349 2.812 -6.275 1.00 0.00 N ATOM 703 CA PHE A 43 11.893 2.862 -6.420 1.00 0.00 C ATOM 704 C PHE A 43 11.487 3.798 -7.558 1.00 0.00 C ATOM 705 O PHE A 43 12.314 4.533 -8.097 1.00 0.00 O ATOM 706 CB PHE A 43 11.235 3.354 -5.126 1.00 0.00 C ATOM 707 CG PHE A 43 11.902 2.881 -3.866 1.00 0.00 C ATOM 708 CD1 PHE A 43 12.484 1.626 -3.799 1.00 0.00 C ATOM 709 CD2 PHE A 43 11.946 3.698 -2.749 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.098 1.194 -2.639 1.00 0.00 C ATOM 711 CE2 PHE A 43 12.557 3.272 -1.585 1.00 0.00 C ATOM 712 CZ PHE A 43 13.135 2.019 -1.531 1.00 0.00 C ATOM 0 H PHE A 43 13.686 3.097 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 43 11.556 1.850 -6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.227 4.444 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.195 3.027 -5.116 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.458 0.978 -4.663 1.00 0.00 H new ATOM 0 HD2 PHE A 43 11.498 4.680 -2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.548 0.213 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 43 12.582 3.918 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.616 1.684 -0.624 1.00 0.00 H new ATOM 722 N ASP A 44 10.200 3.778 -7.902 1.00 0.00 N ATOM 723 CA ASP A 44 9.669 4.632 -8.963 1.00 0.00 C ATOM 724 C ASP A 44 9.260 5.997 -8.411 1.00 0.00 C ATOM 725 O ASP A 44 8.219 6.128 -7.769 1.00 0.00 O ATOM 726 CB ASP A 44 8.465 3.961 -9.630 1.00 0.00 C ATOM 727 CG ASP A 44 8.575 3.940 -11.142 1.00 0.00 C ATOM 728 OD1 ASP A 44 8.594 5.030 -11.751 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.638 2.833 -11.718 1.00 0.00 O ATOM 0 H ASP A 44 9.504 3.178 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 44 10.455 4.779 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.372 2.939 -9.262 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.555 4.487 -9.343 1.00 0.00 H new ATOM 734 N ASP A 45 10.083 7.009 -8.665 1.00 0.00 N ATOM 735 CA ASP A 45 9.804 8.362 -8.192 1.00 0.00 C ATOM 736 C ASP A 45 8.460 8.868 -8.714 1.00 0.00 C ATOM 737 O ASP A 45 7.837 9.736 -8.103 1.00 0.00 O ATOM 738 CB ASP A 45 10.920 9.315 -8.625 1.00 0.00 C ATOM 739 CG ASP A 45 11.067 10.499 -7.688 1.00 0.00 C ATOM 740 OD1 ASP A 45 11.542 10.300 -6.550 1.00 0.00 O ATOM 741 OD2 ASP A 45 10.708 11.624 -8.092 1.00 0.00 O ATOM 0 H ASP A 45 10.949 6.919 -9.196 1.00 0.00 H new ATOM 0 HA ASP A 45 9.757 8.331 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.863 8.770 -8.668 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.715 9.676 -9.633 1.00 0.00 H new ATOM 746 N GLU A 46 8.018 8.324 -9.844 1.00 0.00 N ATOM 747 CA GLU A 46 6.746 8.730 -10.433 1.00 0.00 C ATOM 748 C GLU A 46 5.587 8.361 -9.515 1.00 0.00 C ATOM 749 O GLU A 46 4.830 9.227 -9.072 1.00 0.00 O ATOM 750 CB GLU A 46 6.557 8.073 -11.802 1.00 0.00 C ATOM 751 CG GLU A 46 5.450 8.706 -12.631 1.00 0.00 C ATOM 752 CD GLU A 46 5.775 8.744 -14.112 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.781 8.125 -14.518 1.00 0.00 O ATOM 754 OE2 GLU A 46 5.022 9.395 -14.868 1.00 0.00 O ATOM 0 H GLU A 46 8.518 7.605 -10.367 1.00 0.00 H new ATOM 0 HA GLU A 46 6.760 9.812 -10.560 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.494 8.131 -12.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.335 7.015 -11.661 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.525 8.149 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.272 9.721 -12.276 1.00 0.00 H new ATOM 761 N LYS A 47 5.461 7.071 -9.223 1.00 0.00 N ATOM 762 CA LYS A 47 4.402 6.592 -8.346 1.00 0.00 C ATOM 763 C LYS A 47 4.595 7.140 -6.937 1.00 0.00 C ATOM 764 O LYS A 47 3.628 7.452 -6.242 1.00 0.00 O ATOM 765 CB LYS A 47 4.382 5.062 -8.318 1.00 0.00 C ATOM 766 CG LYS A 47 4.413 4.428 -9.699 1.00 0.00 C ATOM 767 CD LYS A 47 3.503 3.212 -9.773 1.00 0.00 C ATOM 768 CE LYS A 47 2.971 2.999 -11.181 1.00 0.00 C ATOM 769 NZ LYS A 47 4.063 2.989 -12.193 1.00 0.00 N ATOM 0 H LYS A 47 6.078 6.341 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 47 3.446 6.946 -8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.238 4.706 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.486 4.728 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.104 5.161 -10.444 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.434 4.135 -9.944 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.051 2.326 -9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.669 3.338 -9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.427 2.055 -11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.259 3.788 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.684 2.675 -13.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.455 3.947 -12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.814 2.337 -11.887 1.00 0.00 H new ATOM 783 N ILE A 48 5.853 7.264 -6.528 1.00 0.00 N ATOM 784 CA ILE A 48 6.181 7.787 -5.209 1.00 0.00 C ATOM 785 C ILE A 48 5.871 9.281 -5.138 1.00 0.00 C ATOM 786 O ILE A 48 5.493 9.798 -4.087 1.00 0.00 O ATOM 787 CB ILE A 48 7.675 7.558 -4.867 1.00 0.00 C ATOM 788 CG1 ILE A 48 7.977 6.067 -4.667 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.078 8.346 -3.628 1.00 0.00 C ATOM 790 CD1 ILE A 48 6.958 5.337 -3.818 1.00 0.00 C ATOM 0 H ILE A 48 6.663 7.009 -7.093 1.00 0.00 H new ATOM 0 HA ILE A 48 5.571 7.251 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 48 8.262 7.916 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.033 5.585 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.959 5.965 -4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.131 8.168 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.919 9.410 -3.806 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.473 8.026 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.245 4.289 -3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.917 5.791 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.977 5.404 -4.289 1.00 0.00 H new ATOM 802 N ALA A 49 6.036 9.968 -6.265 1.00 0.00 N ATOM 803 CA ALA A 49 5.772 11.399 -6.332 1.00 0.00 C ATOM 804 C ALA A 49 4.333 11.698 -5.937 1.00 0.00 C ATOM 805 O ALA A 49 4.075 12.529 -5.067 1.00 0.00 O ATOM 806 CB ALA A 49 6.062 11.928 -7.729 1.00 0.00 C ATOM 0 H ALA A 49 6.351 9.556 -7.143 1.00 0.00 H new ATOM 0 HA ALA A 49 6.433 11.904 -5.627 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.860 12.999 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.108 11.749 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.426 11.416 -8.451 1.00 0.00 H new ATOM 812 N GLU A 50 3.397 11.003 -6.575 1.00 0.00 N ATOM 813 CA GLU A 50 1.984 11.183 -6.278 1.00 0.00 C ATOM 814 C GLU A 50 1.700 10.776 -4.836 1.00 0.00 C ATOM 815 O GLU A 50 0.885 11.393 -4.152 1.00 0.00 O ATOM 816 CB GLU A 50 1.127 10.355 -7.243 1.00 0.00 C ATOM 817 CG GLU A 50 -0.329 10.224 -6.819 1.00 0.00 C ATOM 818 CD GLU A 50 -1.297 10.589 -7.928 1.00 0.00 C ATOM 819 OE1 GLU A 50 -1.567 9.725 -8.789 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.787 11.738 -7.935 1.00 0.00 O ATOM 0 H GLU A 50 3.593 10.312 -7.299 1.00 0.00 H new ATOM 0 HA GLU A 50 1.729 12.235 -6.405 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.167 10.811 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.560 9.359 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.519 9.200 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.511 10.866 -5.957 1.00 0.00 H new ATOM 827 N LEU A 51 2.391 9.735 -4.382 1.00 0.00 N ATOM 828 CA LEU A 51 2.227 9.237 -3.026 1.00 0.00 C ATOM 829 C LEU A 51 2.560 10.329 -2.015 1.00 0.00 C ATOM 830 O LEU A 51 1.758 10.642 -1.135 1.00 0.00 O ATOM 831 CB LEU A 51 3.133 8.024 -2.808 1.00 0.00 C ATOM 832 CG LEU A 51 2.731 7.107 -1.657 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.656 5.904 -1.587 1.00 0.00 C ATOM 834 CD2 LEU A 51 2.739 7.856 -0.342 1.00 0.00 C ATOM 0 H LEU A 51 3.073 9.220 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 51 1.189 8.938 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.155 7.438 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.149 8.377 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 51 1.716 6.755 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.354 5.261 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.598 5.345 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.680 6.241 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.449 7.181 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.740 8.242 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.034 8.686 -0.391 1.00 0.00 H new ATOM 846 N LEU A 52 3.746 10.917 -2.156 1.00 0.00 N ATOM 847 CA LEU A 52 4.190 11.978 -1.266 1.00 0.00 C ATOM 848 C LEU A 52 3.148 13.081 -1.149 1.00 0.00 C ATOM 849 O LEU A 52 2.851 13.563 -0.056 1.00 0.00 O ATOM 850 CB LEU A 52 5.490 12.532 -1.775 1.00 0.00 C ATOM 851 CG LEU A 52 6.643 11.568 -1.592 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.872 12.145 -2.211 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.864 11.272 -0.118 1.00 0.00 C ATOM 0 H LEU A 52 4.417 10.672 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 52 4.332 11.562 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.388 12.775 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.713 13.463 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 52 6.407 10.625 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.704 11.453 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.700 12.310 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.110 13.094 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.697 10.577 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.092 12.199 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.962 10.827 0.303 1.00 0.00 H new ATOM 865 N THR A 53 2.595 13.472 -2.291 1.00 0.00 N ATOM 866 CA THR A 53 1.580 14.516 -2.331 1.00 0.00 C ATOM 867 C THR A 53 0.325 14.072 -1.587 1.00 0.00 C ATOM 868 O THR A 53 -0.195 14.796 -0.739 1.00 0.00 O ATOM 869 CB THR A 53 1.233 14.864 -3.779 1.00 0.00 C ATOM 870 OG1 THR A 53 2.394 15.246 -4.495 1.00 0.00 O ATOM 871 CG2 THR A 53 0.229 15.989 -3.901 1.00 0.00 C ATOM 0 H THR A 53 2.833 13.081 -3.202 1.00 0.00 H new ATOM 0 HA THR A 53 1.981 15.403 -1.840 1.00 0.00 H new ATOM 0 HB THR A 53 0.792 13.958 -4.195 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.927 14.450 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.028 16.185 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.697 15.706 -3.401 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.632 16.888 -3.436 1.00 0.00 H new ATOM 879 N LYS A 54 -0.149 12.870 -1.905 1.00 0.00 N ATOM 880 CA LYS A 54 -1.337 12.322 -1.264 1.00 0.00 C ATOM 881 C LYS A 54 -1.180 12.317 0.254 1.00 0.00 C ATOM 882 O LYS A 54 -2.143 12.528 0.991 1.00 0.00 O ATOM 883 CB LYS A 54 -1.607 10.902 -1.770 1.00 0.00 C ATOM 884 CG LYS A 54 -1.825 10.824 -3.273 1.00 0.00 C ATOM 885 CD LYS A 54 -3.304 10.813 -3.621 1.00 0.00 C ATOM 886 CE LYS A 54 -3.937 9.465 -3.322 1.00 0.00 C ATOM 887 NZ LYS A 54 -5.269 9.319 -3.971 1.00 0.00 N ATOM 0 H LYS A 54 0.273 12.258 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.186 12.956 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.767 10.263 -1.499 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.486 10.505 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.343 11.674 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.351 9.924 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.818 11.591 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.432 11.050 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.276 8.670 -3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.044 9.346 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.666 8.386 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.908 10.062 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.164 9.407 -5.002 1.00 0.00 H new ATOM 901 N LEU A 55 0.045 12.081 0.714 1.00 0.00 N ATOM 902 CA LEU A 55 0.337 12.053 2.143 1.00 0.00 C ATOM 903 C LEU A 55 0.058 13.410 2.783 1.00 0.00 C ATOM 904 O LEU A 55 -0.791 13.527 3.667 1.00 0.00 O ATOM 905 CB LEU A 55 1.799 11.661 2.378 1.00 0.00 C ATOM 906 CG LEU A 55 2.150 10.190 2.108 1.00 0.00 C ATOM 907 CD1 LEU A 55 3.114 9.680 3.163 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.904 9.316 2.074 1.00 0.00 C ATOM 0 H LEU A 55 0.853 11.906 0.116 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.313 11.311 2.606 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.429 12.287 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.055 11.892 3.412 1.00 0.00 H new ATOM 0 HG LEU A 55 2.625 10.135 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.355 8.636 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.027 10.275 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.653 9.762 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.190 8.282 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.390 9.377 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.238 9.662 1.283 1.00 0.00 H new ATOM 920 N GLY A 56 0.780 14.431 2.332 1.00 0.00 N ATOM 921 CA GLY A 56 0.599 15.766 2.873 1.00 0.00 C ATOM 922 C GLY A 56 1.770 16.681 2.568 1.00 0.00 C ATOM 923 O GLY A 56 1.613 17.900 2.502 1.00 0.00 O ATOM 0 H GLY A 56 1.488 14.358 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.313 16.200 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.464 15.702 3.953 1.00 0.00 H new ATOM 927 N ARG A 57 2.949 16.092 2.386 1.00 0.00 N ATOM 928 CA ARG A 57 4.155 16.860 2.088 1.00 0.00 C ATOM 929 C ARG A 57 5.073 16.080 1.151 1.00 0.00 C ATOM 930 O ARG A 57 4.706 15.017 0.654 1.00 0.00 O ATOM 931 CB ARG A 57 4.893 17.206 3.383 1.00 0.00 C ATOM 932 CG ARG A 57 4.186 18.259 4.222 1.00 0.00 C ATOM 933 CD ARG A 57 3.308 17.623 5.288 1.00 0.00 C ATOM 934 NE ARG A 57 2.180 18.478 5.648 1.00 0.00 N ATOM 935 CZ ARG A 57 2.295 19.594 6.366 1.00 0.00 C ATOM 936 NH1 ARG A 57 3.485 19.994 6.799 1.00 0.00 N ATOM 937 NH2 ARG A 57 1.218 20.313 6.650 1.00 0.00 N ATOM 0 H ARG A 57 3.095 15.084 2.440 1.00 0.00 H new ATOM 0 HA ARG A 57 3.861 17.784 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.012 16.300 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.894 17.561 3.138 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.925 18.905 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.577 18.891 3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.936 16.664 4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.906 17.419 6.176 1.00 0.00 H new ATOM 0 HE ARG A 57 1.250 18.205 5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.317 19.446 6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.567 20.850 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.302 20.012 6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.306 21.168 7.200 1.00 0.00 H new ATOM 951 N ASP A 58 6.264 16.616 0.905 1.00 0.00 N ATOM 952 CA ASP A 58 7.225 15.965 0.020 1.00 0.00 C ATOM 953 C ASP A 58 8.272 15.187 0.814 1.00 0.00 C ATOM 954 O ASP A 58 9.344 14.869 0.296 1.00 0.00 O ATOM 955 CB ASP A 58 7.912 17.002 -0.869 1.00 0.00 C ATOM 956 CG ASP A 58 6.991 17.541 -1.946 1.00 0.00 C ATOM 957 OD1 ASP A 58 5.757 17.458 -1.769 1.00 0.00 O ATOM 958 OD2 ASP A 58 7.503 18.046 -2.968 1.00 0.00 O ATOM 0 H ASP A 58 6.587 17.497 1.305 1.00 0.00 H new ATOM 0 HA ASP A 58 6.678 15.259 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.267 17.827 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.789 16.553 -1.336 1.00 0.00 H new ATOM 963 N THR A 59 7.959 14.878 2.070 1.00 0.00 N ATOM 964 CA THR A 59 8.880 14.135 2.923 1.00 0.00 C ATOM 965 C THR A 59 8.253 12.827 3.394 1.00 0.00 C ATOM 966 O THR A 59 7.031 12.679 3.402 1.00 0.00 O ATOM 967 CB THR A 59 9.287 14.982 4.129 1.00 0.00 C ATOM 968 OG1 THR A 59 10.157 14.257 4.979 1.00 0.00 O ATOM 969 CG2 THR A 59 8.110 15.443 4.962 1.00 0.00 C ATOM 0 H THR A 59 7.078 15.130 2.518 1.00 0.00 H new ATOM 0 HA THR A 59 9.768 13.900 2.336 1.00 0.00 H new ATOM 0 HB THR A 59 9.782 15.859 3.712 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.408 14.816 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.469 16.039 5.801 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.443 16.047 4.347 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.569 14.575 5.339 1.00 0.00 H new ATOM 977 N GLN A 60 9.099 11.880 3.790 1.00 0.00 N ATOM 978 CA GLN A 60 8.633 10.581 4.265 1.00 0.00 C ATOM 979 C GLN A 60 9.014 10.364 5.725 1.00 0.00 C ATOM 980 O GLN A 60 10.147 9.996 6.036 1.00 0.00 O ATOM 981 CB GLN A 60 9.217 9.459 3.409 1.00 0.00 C ATOM 982 CG GLN A 60 10.691 9.642 3.085 1.00 0.00 C ATOM 983 CD GLN A 60 11.370 8.339 2.712 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.377 7.384 3.489 1.00 0.00 O ATOM 985 NE2 GLN A 60 11.945 8.293 1.517 1.00 0.00 N ATOM 0 H GLN A 60 10.113 11.989 3.791 1.00 0.00 H new ATOM 0 HA GLN A 60 7.546 10.566 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.083 8.510 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.655 9.394 2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.794 10.350 2.262 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.197 10.078 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.915 9.108 0.905 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.417 7.442 1.211 1.00 0.00 H new ATOM 994 N ILE A 61 8.056 10.585 6.617 1.00 0.00 N ATOM 995 CA ILE A 61 8.281 10.413 8.048 1.00 0.00 C ATOM 996 C ILE A 61 8.227 8.941 8.436 1.00 0.00 C ATOM 997 O ILE A 61 7.188 8.441 8.868 1.00 0.00 O ATOM 998 CB ILE A 61 7.239 11.186 8.878 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.823 10.846 8.407 1.00 0.00 C ATOM 1000 CG2 ILE A 61 7.489 12.684 8.783 1.00 0.00 C ATOM 1001 CD1 ILE A 61 4.835 10.676 9.540 1.00 0.00 C ATOM 0 H ILE A 61 7.112 10.885 6.374 1.00 0.00 H new ATOM 0 HA ILE A 61 9.273 10.810 8.263 1.00 0.00 H new ATOM 0 HB ILE A 61 7.336 10.887 9.922 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.470 11.635 7.743 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.854 9.927 7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.744 13.215 9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.485 12.912 9.164 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.418 12.999 7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.853 10.436 9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.165 9.867 10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.775 11.602 10.112 1.00 0.00 H new ATOM 1013 N GLY A 62 9.350 8.249 8.275 1.00 0.00 N ATOM 1014 CA GLY A 62 9.404 6.838 8.611 1.00 0.00 C ATOM 1015 C GLY A 62 8.378 6.028 7.846 1.00 0.00 C ATOM 1016 O GLY A 62 7.931 4.978 8.312 1.00 0.00 O ATOM 0 H GLY A 62 10.222 8.639 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.401 6.453 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.238 6.714 9.681 1.00 0.00 H new ATOM 1020 N LEU A 63 7.998 6.521 6.673 1.00 0.00 N ATOM 1021 CA LEU A 63 7.014 5.843 5.837 1.00 0.00 C ATOM 1022 C LEU A 63 7.454 4.418 5.518 1.00 0.00 C ATOM 1023 O LEU A 63 8.614 4.174 5.185 1.00 0.00 O ATOM 1024 CB LEU A 63 6.788 6.627 4.542 1.00 0.00 C ATOM 1025 CG LEU A 63 5.482 7.422 4.482 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.298 6.485 4.300 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.309 8.262 5.739 1.00 0.00 C ATOM 0 H LEU A 63 8.357 7.390 6.278 1.00 0.00 H new ATOM 0 HA LEU A 63 6.077 5.794 6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.621 7.316 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.809 5.929 3.705 1.00 0.00 H new ATOM 0 HG LEU A 63 5.526 8.093 3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.377 7.066 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.416 5.926 3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.252 5.790 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.375 8.820 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.286 7.610 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.143 8.959 5.829 1.00 0.00 H new ATOM 1039 N THR A 64 6.519 3.481 5.622 1.00 0.00 N ATOM 1040 CA THR A 64 6.809 2.081 5.345 1.00 0.00 C ATOM 1041 C THR A 64 5.858 1.519 4.292 1.00 0.00 C ATOM 1042 O THR A 64 4.843 2.133 3.962 1.00 0.00 O ATOM 1043 CB THR A 64 6.710 1.256 6.629 1.00 0.00 C ATOM 1044 OG1 THR A 64 5.367 1.171 7.069 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.531 1.820 7.769 1.00 0.00 C ATOM 0 H THR A 64 5.554 3.666 5.896 1.00 0.00 H new ATOM 0 HA THR A 64 7.825 2.020 4.956 1.00 0.00 H new ATOM 0 HB THR A 64 7.104 0.273 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.325 0.638 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.415 1.187 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.582 1.852 7.480 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.188 2.828 8.000 1.00 0.00 H new ATOM 1053 N MET A 65 6.196 0.344 3.773 1.00 0.00 N ATOM 1054 CA MET A 65 5.378 -0.310 2.761 1.00 0.00 C ATOM 1055 C MET A 65 4.863 -1.652 3.266 1.00 0.00 C ATOM 1056 O MET A 65 5.471 -2.269 4.139 1.00 0.00 O ATOM 1057 CB MET A 65 6.188 -0.514 1.480 1.00 0.00 C ATOM 1058 CG MET A 65 6.285 0.733 0.614 1.00 0.00 C ATOM 1059 SD MET A 65 7.803 1.663 0.905 1.00 0.00 S ATOM 1060 CE MET A 65 7.211 2.937 2.016 1.00 0.00 C ATOM 0 H MET A 65 7.033 -0.175 4.038 1.00 0.00 H new ATOM 0 HA MET A 65 4.523 0.331 2.547 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.194 -0.841 1.744 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.735 -1.316 0.898 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.235 0.446 -0.436 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.426 1.375 0.811 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.410 3.918 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 65 6.138 2.818 2.167 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.724 2.852 2.974 1.00 0.00 H new ATOM 1070 N PRO A 66 3.724 -2.123 2.729 1.00 0.00 N ATOM 1071 CA PRO A 66 2.961 -1.433 1.691 1.00 0.00 C ATOM 1072 C PRO A 66 1.982 -0.410 2.260 1.00 0.00 C ATOM 1073 O PRO A 66 1.353 -0.646 3.291 1.00 0.00 O ATOM 1074 CB PRO A 66 2.190 -2.571 1.001 1.00 0.00 C ATOM 1075 CG PRO A 66 2.535 -3.820 1.753 1.00 0.00 C ATOM 1076 CD PRO A 66 3.083 -3.383 3.079 1.00 0.00 C ATOM 0 HA PRO A 66 3.612 -0.865 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.116 -2.385 1.025 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.475 -2.656 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.654 -4.448 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.269 -4.412 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.298 -3.251 3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.791 -4.104 3.487 1.00 0.00 H new ATOM 1084 N GLN A 67 1.838 0.716 1.566 1.00 0.00 N ATOM 1085 CA GLN A 67 0.914 1.758 1.993 1.00 0.00 C ATOM 1086 C GLN A 67 -0.375 1.660 1.191 1.00 0.00 C ATOM 1087 O GLN A 67 -0.348 1.392 -0.006 1.00 0.00 O ATOM 1088 CB GLN A 67 1.544 3.140 1.815 1.00 0.00 C ATOM 1089 CG GLN A 67 2.511 3.514 2.927 1.00 0.00 C ATOM 1090 CD GLN A 67 2.002 4.655 3.786 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.839 5.780 3.313 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.751 4.370 5.059 1.00 0.00 N ATOM 0 H GLN A 67 2.348 0.928 0.709 1.00 0.00 H new ATOM 0 HA GLN A 67 0.689 1.618 3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.071 3.170 0.861 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.752 3.888 1.766 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.689 2.642 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.470 3.793 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.900 3.424 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.409 5.098 5.687 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.509 1.858 1.845 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.785 1.765 1.154 1.00 0.00 C ATOM 1103 C VAL A 68 -3.418 3.136 0.970 1.00 0.00 C ATOM 1104 O VAL A 68 -3.084 4.088 1.674 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.773 0.838 1.890 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.853 0.354 0.936 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -3.043 -0.341 2.521 1.00 0.00 C ATOM 0 H VAL A 68 -1.573 2.081 2.838 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.574 1.336 0.174 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.247 1.407 2.690 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.543 -0.300 1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.398 1.210 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.393 -0.196 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.761 -0.981 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.537 -0.914 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.308 0.027 3.237 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.336 3.228 0.013 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.013 4.486 -0.273 1.00 0.00 C ATOM 1119 C PHE A 69 -6.473 4.253 -0.638 1.00 0.00 C ATOM 1120 O PHE A 69 -6.799 3.348 -1.405 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.303 5.212 -1.414 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.121 6.009 -0.955 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -1.864 5.432 -0.880 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -3.271 7.333 -0.586 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -0.777 6.164 -0.443 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -2.188 8.071 -0.150 1.00 0.00 C ATOM 1127 CZ PHE A 69 -0.939 7.486 -0.079 1.00 0.00 C ATOM 0 H PHE A 69 -4.627 2.448 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.980 5.101 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.976 4.482 -2.154 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.011 5.875 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -1.732 4.399 -1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.246 7.795 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.198 5.703 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.318 9.105 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.091 8.062 0.261 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.351 5.079 -0.074 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.784 4.971 -0.326 1.00 0.00 C ATOM 1139 C ALA A 70 -9.080 4.893 -1.825 1.00 0.00 C ATOM 1140 O ALA A 70 -8.557 5.685 -2.608 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.517 6.150 0.296 1.00 0.00 C ATOM 0 H ALA A 70 -7.093 5.833 0.563 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.139 4.049 0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.585 6.058 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.344 6.159 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.148 7.079 -0.139 1.00 0.00 H new ATOM 1147 N PRO A 71 -9.943 3.946 -2.240 1.00 0.00 N ATOM 1148 CA PRO A 71 -10.313 3.781 -3.649 1.00 0.00 C ATOM 1149 C PRO A 71 -10.843 5.077 -4.252 1.00 0.00 C ATOM 1150 O PRO A 71 -10.834 5.259 -5.469 1.00 0.00 O ATOM 1151 CB PRO A 71 -11.400 2.708 -3.627 1.00 0.00 C ATOM 1152 CG PRO A 71 -11.262 2.012 -2.313 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.634 2.988 -1.361 1.00 0.00 C ATOM 0 HA PRO A 71 -9.457 3.505 -4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.390 3.153 -3.731 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.276 2.009 -4.454 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.235 1.687 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.644 1.119 -2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.384 3.482 -0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.938 2.494 -0.683 1.00 0.00 H new ATOM 1161 N ASP A 72 -11.297 5.978 -3.386 1.00 0.00 N ATOM 1162 CA ASP A 72 -11.822 7.263 -3.817 1.00 0.00 C ATOM 1163 C ASP A 72 -11.832 8.246 -2.650 1.00 0.00 C ATOM 1164 O ASP A 72 -12.771 9.026 -2.490 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.232 7.099 -4.387 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.320 7.523 -5.841 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -13.188 8.734 -6.114 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.522 6.643 -6.704 1.00 0.00 O ATOM 0 H ASP A 72 -11.310 5.837 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.176 7.658 -4.601 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.539 6.057 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.931 7.690 -3.796 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.785 8.190 -1.829 1.00 0.00 N ATOM 1174 CA GLY A 73 -10.698 9.077 -0.680 1.00 0.00 C ATOM 1175 C GLY A 73 -9.291 9.585 -0.429 1.00 0.00 C ATOM 1176 O GLY A 73 -8.775 10.402 -1.192 1.00 0.00 O ATOM 0 H GLY A 73 -9.999 7.549 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.363 9.927 -0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.052 8.550 0.206 1.00 0.00 H new ATOM 1180 N SER A 74 -8.676 9.109 0.650 1.00 0.00 N ATOM 1181 CA SER A 74 -7.324 9.529 1.010 1.00 0.00 C ATOM 1182 C SER A 74 -6.519 8.370 1.583 1.00 0.00 C ATOM 1183 O SER A 74 -6.986 7.232 1.629 1.00 0.00 O ATOM 1184 CB SER A 74 -7.378 10.673 2.023 1.00 0.00 C ATOM 1185 OG SER A 74 -7.893 10.230 3.266 1.00 0.00 O ATOM 0 H SER A 74 -9.092 8.433 1.290 1.00 0.00 H new ATOM 0 HA SER A 74 -6.829 9.873 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.379 11.084 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.001 11.478 1.634 1.00 0.00 H new ATOM 0 HG SER A 74 -7.916 10.980 3.897 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.301 8.676 2.009 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.404 7.681 2.579 1.00 0.00 C ATOM 1193 C HIS A 75 -5.033 7.001 3.791 1.00 0.00 C ATOM 1194 O HIS A 75 -5.415 7.663 4.757 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.091 8.350 2.980 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.087 7.408 3.570 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.507 7.579 4.807 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.556 6.267 3.062 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.658 6.561 5.007 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.652 5.735 3.979 1.00 0.00 N ATOM 0 H HIS A 75 -4.909 9.617 1.969 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.213 6.916 1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.655 8.828 2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.302 9.140 3.701 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.691 8.344 5.456 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.796 5.839 2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.057 6.434 5.895 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.130 5.676 3.738 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.706 4.911 4.837 1.00 0.00 C ATOM 1210 C ILE A 76 -4.622 4.470 5.814 1.00 0.00 C ATOM 1211 O ILE A 76 -4.774 4.605 7.029 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.463 3.667 4.325 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.542 4.074 3.320 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.078 2.901 5.488 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.813 3.021 2.269 1.00 0.00 C ATOM 0 H ILE A 76 -4.818 5.112 2.948 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.413 5.565 5.347 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.751 3.013 3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.466 4.287 3.857 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.239 4.998 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.608 2.027 5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.290 2.580 6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.777 3.546 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.588 3.376 1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.900 2.825 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.146 2.102 2.752 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.525 3.945 5.277 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.431 3.497 6.119 1.00 0.00 C ATOM 1229 C GLY A 77 -1.978 2.089 5.794 1.00 0.00 C ATOM 1230 O GLY A 77 -2.177 1.604 4.680 1.00 0.00 O ATOM 0 H GLY A 77 -3.374 3.822 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.589 4.180 6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.740 3.542 7.163 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.363 1.434 6.772 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.884 0.076 6.576 1.00 0.00 C ATOM 1236 C GLY A 78 -1.933 -0.960 6.923 1.00 0.00 C ATOM 1237 O GLY A 78 -3.110 -0.785 6.611 1.00 0.00 O ATOM 0 H GLY A 78 -1.187 1.819 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.579 -0.053 5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.001 -0.087 7.191 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.515 -2.040 7.574 1.00 0.00 N ATOM 1242 CA PHE A 79 -2.443 -3.097 7.962 1.00 0.00 C ATOM 1243 C PHE A 79 -3.280 -2.671 9.159 1.00 0.00 C ATOM 1244 O PHE A 79 -4.474 -2.422 9.024 1.00 0.00 O ATOM 1245 CB PHE A 79 -1.695 -4.393 8.262 1.00 0.00 C ATOM 1246 CG PHE A 79 -2.499 -5.610 7.917 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -3.807 -5.718 8.346 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.956 -6.636 7.164 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -4.564 -6.830 8.037 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.708 -7.751 6.849 1.00 0.00 C ATOM 1251 CZ PHE A 79 -4.012 -7.849 7.289 1.00 0.00 C ATOM 0 H PHE A 79 -0.545 -2.207 7.843 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.116 -3.278 7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.760 -4.408 7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.433 -4.422 9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.243 -4.922 8.931 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.935 -6.564 6.819 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.586 -6.902 8.380 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.276 -8.545 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.600 -8.722 7.048 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.656 -2.568 10.329 1.00 0.00 N ATOM 1262 CA ASP A 80 -3.370 -2.158 11.536 1.00 0.00 C ATOM 1263 C ASP A 80 -4.191 -0.900 11.268 1.00 0.00 C ATOM 1264 O ASP A 80 -5.346 -0.788 11.688 1.00 0.00 O ATOM 1265 CB ASP A 80 -2.384 -1.902 12.677 1.00 0.00 C ATOM 1266 CG ASP A 80 -3.064 -1.879 14.031 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.601 -0.816 14.409 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -3.062 -2.924 14.714 1.00 0.00 O ATOM 0 H ASP A 80 -1.664 -2.761 10.468 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.044 -2.964 11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.617 -2.676 12.672 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.878 -0.951 12.511 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.581 0.041 10.555 1.00 0.00 N ATOM 1274 CA GLN A 81 -4.240 1.296 10.214 1.00 0.00 C ATOM 1275 C GLN A 81 -5.444 1.049 9.313 1.00 0.00 C ATOM 1276 O GLN A 81 -6.510 1.633 9.509 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.252 2.238 9.522 1.00 0.00 C ATOM 1278 CG GLN A 81 -3.329 3.674 10.015 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.981 4.367 10.000 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.118 4.053 9.181 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -1.794 5.316 10.909 1.00 0.00 N ATOM 0 H GLN A 81 -2.628 -0.043 10.201 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.590 1.760 11.136 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.240 1.864 9.675 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.439 2.221 8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.027 4.232 9.391 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.728 3.685 11.029 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.538 5.544 11.569 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.907 5.818 10.948 1.00 0.00 H new ATOM 1290 N LEU A 82 -5.268 0.181 8.321 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.342 -0.139 7.391 1.00 0.00 C ATOM 1292 C LEU A 82 -7.423 -0.984 8.052 1.00 0.00 C ATOM 1293 O LEU A 82 -8.610 -0.744 7.847 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.803 -0.836 6.159 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.853 -1.043 5.081 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.444 -0.383 3.780 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.104 -2.515 4.893 1.00 0.00 C ATOM 0 H LEU A 82 -4.393 -0.312 8.142 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.796 0.803 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.981 -0.250 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.392 -1.803 6.447 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.781 -0.569 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.216 -0.549 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.317 0.688 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.503 -0.812 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.858 -2.660 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.178 -3.007 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.458 -2.946 5.829 1.00 0.00 H new ATOM 1309 N ARG A 83 -7.021 -1.950 8.873 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.990 -2.787 9.575 1.00 0.00 C ATOM 1311 C ARG A 83 -8.996 -1.894 10.284 1.00 0.00 C ATOM 1312 O ARG A 83 -10.179 -2.219 10.381 1.00 0.00 O ATOM 1313 CB ARG A 83 -7.286 -3.700 10.582 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.042 -5.106 10.059 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.811 -6.090 11.195 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.611 -5.767 11.963 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.313 -6.317 13.139 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -6.122 -7.216 13.683 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -4.200 -5.967 13.770 1.00 0.00 N ATOM 0 H ARG A 83 -6.044 -2.171 9.067 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.508 -3.419 8.854 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.331 -3.253 10.859 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.887 -3.758 11.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.897 -5.428 9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.177 -5.104 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.677 -6.089 11.857 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.722 -7.098 10.789 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.964 -5.080 11.576 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.978 -7.490 13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.888 -7.634 14.584 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.574 -5.277 13.355 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.971 -6.387 14.671 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.514 -0.744 10.754 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.373 0.221 11.418 1.00 0.00 C ATOM 1335 C GLU A 84 -10.345 0.805 10.404 1.00 0.00 C ATOM 1336 O GLU A 84 -11.509 1.061 10.712 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.540 1.335 12.058 1.00 0.00 C ATOM 1338 CG GLU A 84 -8.102 1.027 13.480 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.971 1.921 13.948 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.837 3.040 13.407 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -6.219 1.504 14.854 1.00 0.00 O ATOM 0 H GLU A 84 -7.536 -0.463 10.685 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.930 -0.281 12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.656 1.514 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.121 2.257 12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.953 1.142 14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.786 -0.014 13.541 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.860 0.985 9.175 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.682 1.502 8.094 1.00 0.00 C ATOM 1350 C TYR A 85 -11.821 0.530 7.814 1.00 0.00 C ATOM 1351 O TYR A 85 -12.934 0.931 7.474 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.824 1.691 6.839 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.518 2.425 5.715 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.384 1.762 4.857 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.297 3.780 5.507 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.012 2.427 3.822 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.921 4.452 4.475 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.778 3.773 3.636 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.402 4.441 2.607 1.00 0.00 O ATOM 0 H TYR A 85 -8.898 0.778 8.908 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.101 2.466 8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.920 2.237 7.110 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.509 0.712 6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.570 0.708 5.001 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.627 4.316 6.162 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.682 1.896 3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.738 5.506 4.326 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.130 5.382 2.616 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.526 -0.758 7.984 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.505 -1.819 7.767 1.00 0.00 C ATOM 1371 C PHE A 86 -13.319 -2.086 9.031 1.00 0.00 C ATOM 1372 O PHE A 86 -14.507 -1.769 9.094 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.790 -3.101 7.321 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.475 -3.125 5.851 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.443 -2.794 4.916 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.210 -3.464 5.407 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.152 -2.799 3.567 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.914 -3.474 4.057 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.884 -3.139 3.137 1.00 0.00 C ATOM 0 H PHE A 86 -10.607 -1.093 8.274 1.00 0.00 H new ATOM 0 HA PHE A 86 -13.193 -1.496 6.986 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.864 -3.208 7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.414 -3.961 7.566 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.436 -2.529 5.247 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.445 -3.724 6.123 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.915 -2.537 2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.923 -3.744 3.723 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.653 -3.142 2.082 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.672 -2.667 10.037 1.00 0.00 N ATOM 1390 CA LYS A 87 -13.334 -2.975 11.299 1.00 0.00 C ATOM 1391 C LYS A 87 -13.526 -1.715 12.136 1.00 0.00 C ATOM 1392 O LYS A 87 -14.506 -1.661 12.907 1.00 0.00 O ATOM 1393 CB LYS A 87 -12.524 -4.006 12.086 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.682 -5.427 11.569 1.00 0.00 C ATOM 1395 CD LYS A 87 -11.712 -6.379 12.250 1.00 0.00 C ATOM 1396 CE LYS A 87 -11.720 -7.748 11.589 1.00 0.00 C ATOM 1397 NZ LYS A 87 -11.176 -8.804 12.488 1.00 0.00 N ATOM 1398 OXT LYS A 87 -12.693 -0.792 12.014 1.00 0.00 O ATOM 0 H LYS A 87 -11.688 -2.934 10.002 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.316 -3.391 11.072 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.470 -3.731 12.052 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.828 -3.973 13.132 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.704 -5.765 11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.515 -5.444 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.706 -5.962 12.214 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.978 -6.480 13.302 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.739 -8.006 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.130 -7.712 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.199 -9.722 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.195 -8.572 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.754 -8.857 13.351 1.00 0.00 H new TER 1412 LYS A 87