USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 685 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 65 ASN : amide:sc= 0.0218 K(o=0.53,f=-0.6) USER MOD Set 1.2: A 68 GLN : amide:sc= 0.511 K(o=0.53,f=-1.7) USER MOD Set 2.1: A 4 HIS : +bothHN:sc= 1.34 K(o=2.6,f=-12!) USER MOD Set 2.2: A 7 THR OG1 : rot -179:sc= 0.508 USER MOD Set 2.3: A 64 GLN : amide:sc= 0.794 K(o=2.6,f=-0.84) USER MOD Single : A 1 SER N :NH3+ -115:sc= 0.0803 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00165 USER MOD Single : A 5 MET CE :methyl 163:sc= -0.0209 (180deg=-0.358) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0.768 (180deg=0.637) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.845 X(o=-0.85,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 20 THR OG1 : rot -38:sc= 0.0413 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.13) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0.929 (180deg=0.909) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0.855 (180deg=0.732) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -0.295 F(o=-1,f=-0.29) USER MOD Single : A 39 GLN : amide:sc= -0.0232 K(o=-0.023,f=-0.82) USER MOD Single : A 41 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.4!) USER MOD Single : A 42 CYS SG : rot 130:sc= -0.863 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : +bothHN:sc= 1.75 K(o=1.8,f=-5.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.9 K(o=0.9,f=-0.092) USER MOD Single : A 52 SER OG : rot 148:sc= 1.49 USER MOD Single : A 53 SER OG : rot -27:sc= 0.233 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.402 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 74 ASN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Single : A 77 MET CE :methyl 171:sc= 0 (180deg=-0.0432) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -166:sc= -0.251 (180deg=-0.688) USER MOD Single : A 81 GLN : amide:sc= -0.887 K(o=-0.89,f=-4.8!) USER MOD Single : A 82 SER OG : rot -19:sc= 0.254 USER MOD Single : A 83 HIS : no HD1:sc= 0.161 K(o=0.16,f=-1.4) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.462 0.886 -2.118 1.00 0.00 N ATOM 2 CA SER A 1 11.501 1.966 -1.826 1.00 0.00 C ATOM 3 C SER A 1 11.336 2.884 -3.030 1.00 0.00 C ATOM 4 O SER A 1 12.176 2.898 -3.930 1.00 0.00 O ATOM 5 CB SER A 1 11.942 2.767 -0.602 1.00 0.00 C ATOM 6 OG SER A 1 11.967 1.913 0.526 1.00 0.00 O ATOM 0 H1 SER A 1 11.970 -0.030 -2.103 1.00 0.00 H new ATOM 0 H2 SER A 1 12.881 1.039 -3.058 1.00 0.00 H new ATOM 0 H3 SER A 1 13.214 0.887 -1.399 1.00 0.00 H new ATOM 0 HA SER A 1 10.536 1.508 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.929 3.197 -0.770 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.258 3.598 -0.430 1.00 0.00 H new ATOM 0 HG SER A 1 12.251 2.421 1.315 1.00 0.00 H new ATOM 12 N GLY A 2 10.248 3.659 -3.056 1.00 0.00 N ATOM 13 CA GLY A 2 9.983 4.589 -4.142 1.00 0.00 C ATOM 14 C GLY A 2 8.610 5.237 -4.017 1.00 0.00 C ATOM 15 O GLY A 2 7.857 4.954 -3.085 1.00 0.00 O ATOM 0 H GLY A 2 9.534 3.655 -2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.750 5.364 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.050 4.063 -5.094 1.00 0.00 H new ATOM 19 N SER A 3 8.283 6.114 -4.970 1.00 0.00 N ATOM 20 CA SER A 3 6.999 6.795 -5.028 1.00 0.00 C ATOM 21 C SER A 3 6.700 7.203 -6.469 1.00 0.00 C ATOM 22 O SER A 3 7.616 7.305 -7.281 1.00 0.00 O ATOM 23 CB SER A 3 7.032 8.023 -4.115 1.00 0.00 C ATOM 24 OG SER A 3 5.796 8.702 -4.179 1.00 0.00 O ATOM 0 H SER A 3 8.914 6.370 -5.729 1.00 0.00 H new ATOM 0 HA SER A 3 6.210 6.125 -4.686 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.237 7.719 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.839 8.690 -4.417 1.00 0.00 H new ATOM 0 HG SER A 3 5.823 9.486 -3.591 1.00 0.00 H new ATOM 30 N HIS A 4 5.419 7.432 -6.783 1.00 0.00 N ATOM 31 CA HIS A 4 4.952 7.834 -8.107 1.00 0.00 C ATOM 32 C HIS A 4 5.578 6.988 -9.222 1.00 0.00 C ATOM 33 O HIS A 4 6.018 7.514 -10.241 1.00 0.00 O ATOM 34 CB HIS A 4 5.106 9.348 -8.312 1.00 0.00 C ATOM 35 CG HIS A 4 6.521 9.871 -8.255 1.00 0.00 C ATOM 36 ND1 HIS A 4 7.498 9.704 -9.221 1.00 0.00 N ATOM 37 CD2 HIS A 4 7.060 10.621 -7.245 1.00 0.00 C ATOM 38 CE1 HIS A 4 8.612 10.328 -8.800 1.00 0.00 C ATOM 39 NE2 HIS A 4 8.370 10.890 -7.599 1.00 0.00 N ATOM 0 H HIS A 4 4.664 7.339 -6.104 1.00 0.00 H new ATOM 0 HA HIS A 4 3.883 7.629 -8.166 1.00 0.00 H new ATOM 0 HB2 HIS A 4 4.679 9.611 -9.280 1.00 0.00 H new ATOM 0 HB3 HIS A 4 4.516 9.862 -7.553 1.00 0.00 H new ATOM 0 HD1 HIS A 4 7.391 9.196 -10.099 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.558 10.942 -6.344 1.00 0.00 H new ATOM 0 HE1 HIS A 4 9.548 10.372 -9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 4 9.040 11.424 -7.045 1.00 0.00 H new ATOM 48 N MET A 5 5.612 5.669 -9.015 1.00 0.00 N ATOM 49 CA MET A 5 6.152 4.702 -9.966 1.00 0.00 C ATOM 50 C MET A 5 7.627 4.938 -10.301 1.00 0.00 C ATOM 51 O MET A 5 8.094 4.501 -11.354 1.00 0.00 O ATOM 52 CB MET A 5 5.265 4.605 -11.215 1.00 0.00 C ATOM 53 CG MET A 5 3.854 4.112 -10.881 1.00 0.00 C ATOM 54 SD MET A 5 2.753 5.314 -10.084 1.00 0.00 S ATOM 55 CE MET A 5 2.551 6.492 -11.447 1.00 0.00 C ATOM 0 H MET A 5 5.256 5.237 -8.162 1.00 0.00 H new ATOM 0 HA MET A 5 6.132 3.730 -9.474 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.204 5.583 -11.693 1.00 0.00 H new ATOM 0 HB3 MET A 5 5.725 3.927 -11.934 1.00 0.00 H new ATOM 0 HG2 MET A 5 3.382 3.774 -11.804 1.00 0.00 H new ATOM 0 HG3 MET A 5 3.940 3.242 -10.230 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.686 7.126 -11.255 1.00 0.00 H new ATOM 0 HE2 MET A 5 3.444 7.112 -11.528 1.00 0.00 H new ATOM 0 HE3 MET A 5 2.402 5.948 -12.379 1.00 0.00 H new ATOM 65 N LYS A 6 8.360 5.618 -9.412 1.00 0.00 N ATOM 66 CA LYS A 6 9.787 5.874 -9.553 1.00 0.00 C ATOM 67 C LYS A 6 10.145 6.558 -10.872 1.00 0.00 C ATOM 68 O LYS A 6 11.272 6.420 -11.352 1.00 0.00 O ATOM 69 CB LYS A 6 10.592 4.592 -9.315 1.00 0.00 C ATOM 70 CG LYS A 6 10.300 4.017 -7.926 1.00 0.00 C ATOM 71 CD LYS A 6 11.060 2.710 -7.700 1.00 0.00 C ATOM 72 CE LYS A 6 12.582 2.900 -7.707 1.00 0.00 C ATOM 73 NZ LYS A 6 13.022 3.782 -6.608 1.00 0.00 N ATOM 0 H LYS A 6 7.964 6.011 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 6 10.066 6.589 -8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.344 3.854 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.657 4.803 -9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.582 4.742 -7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.229 3.842 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.756 2.279 -6.746 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.784 1.995 -8.475 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.071 1.930 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.892 3.324 -8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.061 3.795 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.670 4.746 -6.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.645 3.427 -5.706 1.00 0.00 H new ATOM 87 N THR A 7 9.198 7.287 -11.464 1.00 0.00 N ATOM 88 CA THR A 7 9.420 8.022 -12.699 1.00 0.00 C ATOM 89 C THR A 7 10.424 9.131 -12.402 1.00 0.00 C ATOM 90 O THR A 7 10.611 9.516 -11.246 1.00 0.00 O ATOM 91 CB THR A 7 8.104 8.657 -13.152 1.00 0.00 C ATOM 92 OG1 THR A 7 7.456 9.264 -12.060 1.00 0.00 O ATOM 93 CG2 THR A 7 7.176 7.597 -13.739 1.00 0.00 C ATOM 0 H THR A 7 8.252 7.381 -11.094 1.00 0.00 H new ATOM 0 HA THR A 7 9.790 7.357 -13.480 1.00 0.00 H new ATOM 0 HB THR A 7 8.334 9.405 -13.910 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.608 9.654 -12.359 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.244 8.065 -14.057 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.657 7.127 -14.597 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.963 6.841 -12.983 1.00 0.00 H new ATOM 101 N CYS A 8 11.072 9.645 -13.446 1.00 0.00 N ATOM 102 CA CYS A 8 12.070 10.698 -13.317 1.00 0.00 C ATOM 103 C CYS A 8 11.451 12.083 -13.129 1.00 0.00 C ATOM 104 O CYS A 8 12.169 13.045 -12.859 1.00 0.00 O ATOM 105 CB CYS A 8 12.978 10.677 -14.544 1.00 0.00 C ATOM 106 SG CYS A 8 13.946 9.144 -14.549 1.00 0.00 S ATOM 0 H CYS A 8 10.917 9.340 -14.407 1.00 0.00 H new ATOM 0 HA CYS A 8 12.650 10.500 -12.416 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.381 10.746 -15.453 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.643 11.540 -14.533 1.00 0.00 H new ATOM 0 HG CYS A 8 14.719 9.122 -15.594 1.00 0.00 H new ATOM 112 N VAL A 9 10.128 12.200 -13.275 1.00 0.00 N ATOM 113 CA VAL A 9 9.428 13.468 -13.107 1.00 0.00 C ATOM 114 C VAL A 9 9.297 13.863 -11.638 1.00 0.00 C ATOM 115 O VAL A 9 9.209 13.008 -10.761 1.00 0.00 O ATOM 116 CB VAL A 9 8.082 13.429 -13.843 1.00 0.00 C ATOM 117 CG1 VAL A 9 7.064 12.562 -13.100 1.00 0.00 C ATOM 118 CG2 VAL A 9 7.507 14.837 -13.991 1.00 0.00 C ATOM 0 H VAL A 9 9.517 11.418 -13.512 1.00 0.00 H new ATOM 0 HA VAL A 9 10.027 14.257 -13.562 1.00 0.00 H new ATOM 0 HB VAL A 9 8.269 12.998 -14.827 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.122 12.556 -13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.443 11.543 -13.020 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.900 12.968 -12.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.553 14.787 -14.515 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.356 15.274 -13.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.201 15.456 -14.559 1.00 0.00 H new ATOM 128 N VAL A 10 9.289 15.174 -11.381 1.00 0.00 N ATOM 129 CA VAL A 10 9.190 15.737 -10.041 1.00 0.00 C ATOM 130 C VAL A 10 8.403 17.042 -10.099 1.00 0.00 C ATOM 131 O VAL A 10 8.288 17.660 -11.157 1.00 0.00 O ATOM 132 CB VAL A 10 10.591 15.988 -9.458 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.395 14.696 -9.331 1.00 0.00 C ATOM 134 CG2 VAL A 10 11.378 16.975 -10.328 1.00 0.00 C ATOM 0 H VAL A 10 9.352 15.881 -12.113 1.00 0.00 H new ATOM 0 HA VAL A 10 8.672 15.029 -9.393 1.00 0.00 H new ATOM 0 HB VAL A 10 10.442 16.409 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.378 14.918 -8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.870 14.004 -8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.512 14.242 -10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.365 17.136 -9.894 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.485 16.568 -11.334 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.844 17.924 -10.376 1.00 0.00 H new ATOM 144 N GLU A 11 7.857 17.468 -8.960 1.00 0.00 N ATOM 145 CA GLU A 11 7.106 18.714 -8.869 1.00 0.00 C ATOM 146 C GLU A 11 8.053 19.906 -8.775 1.00 0.00 C ATOM 147 O GLU A 11 9.209 19.757 -8.381 1.00 0.00 O ATOM 148 CB GLU A 11 6.173 18.676 -7.659 1.00 0.00 C ATOM 149 CG GLU A 11 5.148 17.546 -7.782 1.00 0.00 C ATOM 150 CD GLU A 11 4.185 17.731 -8.957 1.00 0.00 C ATOM 151 OE1 GLU A 11 3.479 16.748 -9.271 1.00 0.00 O ATOM 152 OE2 GLU A 11 4.158 18.842 -9.535 1.00 0.00 O ATOM 0 H GLU A 11 7.924 16.959 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 11 6.506 18.826 -9.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.759 18.541 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.655 19.631 -7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.674 16.598 -7.897 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.575 17.482 -6.857 1.00 0.00 H new ATOM 159 N LYS A 12 7.551 21.092 -9.130 1.00 0.00 N ATOM 160 CA LYS A 12 8.332 22.322 -9.130 1.00 0.00 C ATOM 161 C LYS A 12 7.501 23.546 -8.775 1.00 0.00 C ATOM 162 O LYS A 12 6.307 23.607 -9.070 1.00 0.00 O ATOM 163 CB LYS A 12 9.005 22.539 -10.493 1.00 0.00 C ATOM 164 CG LYS A 12 10.333 21.789 -10.579 1.00 0.00 C ATOM 165 CD LYS A 12 11.015 22.086 -11.913 1.00 0.00 C ATOM 166 CE LYS A 12 12.412 21.461 -11.915 1.00 0.00 C ATOM 167 NZ LYS A 12 13.100 21.709 -13.195 1.00 0.00 N ATOM 0 H LYS A 12 6.584 21.222 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 12 9.092 22.202 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.341 22.200 -11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.175 23.604 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.982 22.086 -9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.162 20.717 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.423 21.684 -12.735 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.085 23.163 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.000 21.874 -11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.334 20.388 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.045 21.275 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.548 21.293 -13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.193 22.734 -13.346 1.00 0.00 H new ATOM 181 N ILE A 13 8.161 24.519 -8.141 1.00 0.00 N ATOM 182 CA ILE A 13 7.605 25.819 -7.795 1.00 0.00 C ATOM 183 C ILE A 13 8.714 26.864 -7.926 1.00 0.00 C ATOM 184 O ILE A 13 9.889 26.537 -7.765 1.00 0.00 O ATOM 185 CB ILE A 13 7.017 25.797 -6.373 1.00 0.00 C ATOM 186 CG1 ILE A 13 5.770 24.901 -6.314 1.00 0.00 C ATOM 187 CG2 ILE A 13 6.659 27.214 -5.916 1.00 0.00 C ATOM 188 CD1 ILE A 13 5.157 24.860 -4.914 1.00 0.00 C ATOM 0 H ILE A 13 9.132 24.414 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 13 6.788 26.071 -8.472 1.00 0.00 H new ATOM 0 HB ILE A 13 7.774 25.390 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.028 25.266 -7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.036 23.890 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.245 27.178 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.555 27.834 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.922 27.640 -6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.278 24.215 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.889 24.469 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.866 25.867 -4.615 1.00 0.00 H new ATOM 200 N LYS A 14 8.344 28.116 -8.213 1.00 0.00 N ATOM 201 CA LYS A 14 9.289 29.218 -8.337 1.00 0.00 C ATOM 202 C LYS A 14 8.706 30.477 -7.706 1.00 0.00 C ATOM 203 O LYS A 14 7.509 30.734 -7.840 1.00 0.00 O ATOM 204 CB LYS A 14 9.644 29.426 -9.814 1.00 0.00 C ATOM 205 CG LYS A 14 10.596 30.606 -10.011 1.00 0.00 C ATOM 206 CD LYS A 14 10.919 30.769 -11.496 1.00 0.00 C ATOM 207 CE LYS A 14 11.901 31.924 -11.685 1.00 0.00 C ATOM 208 NZ LYS A 14 12.245 32.093 -13.110 1.00 0.00 N ATOM 0 H LYS A 14 7.373 28.390 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 14 10.209 28.982 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.103 28.519 -10.208 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.732 29.596 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.142 31.519 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.514 30.443 -9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.347 29.847 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.005 30.960 -12.058 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.464 32.845 -11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.806 31.735 -11.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.913 32.883 -13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.683 31.220 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.382 32.295 -13.654 1.00 0.00 H new ATOM 222 N GLN A 15 9.543 31.260 -7.023 1.00 0.00 N ATOM 223 CA GLN A 15 9.097 32.489 -6.378 1.00 0.00 C ATOM 224 C GLN A 15 10.273 33.435 -6.133 1.00 0.00 C ATOM 225 O GLN A 15 11.401 32.992 -5.941 1.00 0.00 O ATOM 226 CB GLN A 15 8.376 32.135 -5.074 1.00 0.00 C ATOM 227 CG GLN A 15 7.932 33.379 -4.299 1.00 0.00 C ATOM 228 CD GLN A 15 7.057 34.293 -5.148 1.00 0.00 C ATOM 229 OE1 GLN A 15 6.189 33.833 -5.885 1.00 0.00 O ATOM 230 NE2 GLN A 15 7.275 35.602 -5.050 1.00 0.00 N ATOM 0 H GLN A 15 10.536 31.061 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 15 8.401 33.013 -7.033 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.505 31.520 -5.299 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.037 31.536 -4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.383 33.075 -3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.810 33.929 -3.960 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.004 35.953 -4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.713 36.255 -5.596 1.00 0.00 H new ATOM 239 N TRP A 16 9.993 34.740 -6.141 1.00 0.00 N ATOM 240 CA TRP A 16 10.979 35.784 -5.917 1.00 0.00 C ATOM 241 C TRP A 16 10.973 36.227 -4.456 1.00 0.00 C ATOM 242 O TRP A 16 9.952 36.131 -3.776 1.00 0.00 O ATOM 243 CB TRP A 16 10.647 36.976 -6.814 1.00 0.00 C ATOM 244 CG TRP A 16 10.532 36.655 -8.271 1.00 0.00 C ATOM 245 CD1 TRP A 16 9.463 36.083 -8.862 1.00 0.00 C ATOM 246 CD2 TRP A 16 11.524 36.827 -9.330 1.00 0.00 C ATOM 247 NE1 TRP A 16 9.719 35.886 -10.203 1.00 0.00 N ATOM 248 CE2 TRP A 16 10.977 36.336 -10.549 1.00 0.00 C ATOM 249 CE3 TRP A 16 12.823 37.368 -9.385 1.00 0.00 C ATOM 250 CZ2 TRP A 16 11.685 36.370 -11.756 1.00 0.00 C ATOM 251 CZ3 TRP A 16 13.538 37.407 -10.593 1.00 0.00 C ATOM 252 CH2 TRP A 16 12.978 36.906 -11.776 1.00 0.00 C ATOM 0 H TRP A 16 9.054 35.101 -6.307 1.00 0.00 H new ATOM 0 HA TRP A 16 11.970 35.397 -6.155 1.00 0.00 H new ATOM 0 HB2 TRP A 16 9.707 37.414 -6.478 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.418 37.736 -6.684 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.544 35.819 -8.360 1.00 0.00 H new ATOM 0 HE1 TRP A 16 9.061 35.461 -10.857 1.00 0.00 H new ATOM 0 HE3 TRP A 16 13.276 37.758 -8.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 11.239 35.987 -12.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 14.532 37.828 -10.611 1.00 0.00 H new ATOM 0 HH2 TRP A 16 13.541 36.933 -12.697 1.00 0.00 H new ATOM 263 N ILE A 17 12.122 36.716 -3.981 1.00 0.00 N ATOM 264 CA ILE A 17 12.249 37.317 -2.658 1.00 0.00 C ATOM 265 C ILE A 17 13.081 38.589 -2.780 1.00 0.00 C ATOM 266 O ILE A 17 14.073 38.604 -3.511 1.00 0.00 O ATOM 267 CB ILE A 17 12.893 36.362 -1.642 1.00 0.00 C ATOM 268 CG1 ILE A 17 13.900 35.407 -2.299 1.00 0.00 C ATOM 269 CG2 ILE A 17 11.804 35.554 -0.933 1.00 0.00 C ATOM 270 CD1 ILE A 17 14.672 34.605 -1.253 1.00 0.00 C ATOM 0 H ILE A 17 12.994 36.704 -4.510 1.00 0.00 H new ATOM 0 HA ILE A 17 11.249 37.544 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 17 13.440 36.970 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.374 34.725 -2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 17 14.599 35.977 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.264 34.877 -0.213 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.128 36.233 -0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 17 11.244 34.976 -1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 17 15.376 33.939 -1.752 1.00 0.00 H new ATOM 0 HD12 ILE A 17 15.218 35.287 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 17 13.974 34.016 -0.658 1.00 0.00 H new ATOM 282 N PRO A 18 12.705 39.666 -2.078 1.00 0.00 N ATOM 283 CA PRO A 18 13.443 40.914 -2.101 1.00 0.00 C ATOM 284 C PRO A 18 14.800 40.699 -1.437 1.00 0.00 C ATOM 285 O PRO A 18 14.933 39.856 -0.550 1.00 0.00 O ATOM 286 CB PRO A 18 12.577 41.916 -1.345 1.00 0.00 C ATOM 287 CG PRO A 18 11.776 41.033 -0.387 1.00 0.00 C ATOM 288 CD PRO A 18 11.553 39.759 -1.204 1.00 0.00 C ATOM 0 HA PRO A 18 13.642 41.280 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.182 42.647 -0.808 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.926 42.474 -2.018 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.325 40.832 0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 18 10.834 41.499 -0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.476 38.884 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.627 39.814 -1.776 1.00 0.00 H new ATOM 296 N THR A 19 15.816 41.458 -1.859 1.00 0.00 N ATOM 297 CA THR A 19 17.183 41.253 -1.391 1.00 0.00 C ATOM 298 C THR A 19 17.401 41.306 0.120 1.00 0.00 C ATOM 299 O THR A 19 18.392 40.781 0.623 1.00 0.00 O ATOM 300 CB THR A 19 18.181 42.123 -2.159 1.00 0.00 C ATOM 301 OG1 THR A 19 17.664 42.458 -3.428 1.00 0.00 O ATOM 302 CG2 THR A 19 19.514 41.397 -2.324 1.00 0.00 C ATOM 0 H THR A 19 15.713 42.222 -2.527 1.00 0.00 H new ATOM 0 HA THR A 19 17.383 40.207 -1.625 1.00 0.00 H new ATOM 0 HB THR A 19 18.346 43.036 -1.586 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.311 43.016 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 19 20.209 42.033 -2.872 1.00 0.00 H new ATOM 0 HG22 THR A 19 19.928 41.169 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 19 19.358 40.470 -2.876 1.00 0.00 H new ATOM 310 N THR A 20 16.475 41.934 0.847 1.00 0.00 N ATOM 311 CA THR A 20 16.545 42.022 2.298 1.00 0.00 C ATOM 312 C THR A 20 16.193 40.720 3.016 1.00 0.00 C ATOM 313 O THR A 20 16.460 40.573 4.207 1.00 0.00 O ATOM 314 CB THR A 20 15.723 43.214 2.797 1.00 0.00 C ATOM 315 OG1 THR A 20 16.138 43.567 4.095 1.00 0.00 O ATOM 316 CG2 THR A 20 14.229 42.883 2.836 1.00 0.00 C ATOM 0 H THR A 20 15.659 42.393 0.443 1.00 0.00 H new ATOM 0 HA THR A 20 17.590 42.194 2.556 1.00 0.00 H new ATOM 0 HB THR A 20 15.884 44.041 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.339 42.755 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.674 43.750 3.194 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.888 42.622 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.060 42.041 3.507 1.00 0.00 H new ATOM 324 N GLU A 21 15.593 39.761 2.297 1.00 0.00 N ATOM 325 CA GLU A 21 15.220 38.472 2.862 1.00 0.00 C ATOM 326 C GLU A 21 16.179 37.378 2.395 1.00 0.00 C ATOM 327 O GLU A 21 16.294 36.344 3.049 1.00 0.00 O ATOM 328 CB GLU A 21 13.788 38.123 2.440 1.00 0.00 C ATOM 329 CG GLU A 21 12.763 39.185 2.847 1.00 0.00 C ATOM 330 CD GLU A 21 12.654 39.404 4.359 1.00 0.00 C ATOM 331 OE1 GLU A 21 13.236 38.604 5.119 1.00 0.00 O ATOM 332 OE2 GLU A 21 11.978 40.384 4.746 1.00 0.00 O ATOM 0 H GLU A 21 15.356 39.864 1.310 1.00 0.00 H new ATOM 0 HA GLU A 21 15.276 38.537 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.757 37.993 1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.508 37.168 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.027 40.130 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.785 38.897 2.461 1.00 0.00 H new ATOM 339 N VAL A 22 16.870 37.598 1.272 1.00 0.00 N ATOM 340 CA VAL A 22 17.811 36.621 0.743 1.00 0.00 C ATOM 341 C VAL A 22 18.998 36.453 1.686 1.00 0.00 C ATOM 342 O VAL A 22 19.580 35.373 1.776 1.00 0.00 O ATOM 343 CB VAL A 22 18.300 37.053 -0.647 1.00 0.00 C ATOM 344 CG1 VAL A 22 19.189 35.980 -1.269 1.00 0.00 C ATOM 345 CG2 VAL A 22 17.128 37.323 -1.594 1.00 0.00 C ATOM 0 H VAL A 22 16.791 38.448 0.714 1.00 0.00 H new ATOM 0 HA VAL A 22 17.299 35.663 0.656 1.00 0.00 H new ATOM 0 HB VAL A 22 18.870 37.972 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 22 19.523 36.309 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 22 20.056 35.810 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.625 35.053 -1.369 1.00 0.00 H new ATOM 0 HG21 VAL A 22 17.510 37.627 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.533 36.417 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.505 38.118 -1.185 1.00 0.00 H new ATOM 355 N GLY A 23 19.358 37.528 2.394 1.00 0.00 N ATOM 356 CA GLY A 23 20.482 37.533 3.315 1.00 0.00 C ATOM 357 C GLY A 23 20.197 36.722 4.576 1.00 0.00 C ATOM 358 O GLY A 23 21.104 36.495 5.373 1.00 0.00 O ATOM 0 H GLY A 23 18.870 38.422 2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.361 37.127 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 23 20.719 38.560 3.591 1.00 0.00 H new ATOM 362 N LYS A 24 18.948 36.279 4.769 1.00 0.00 N ATOM 363 CA LYS A 24 18.582 35.474 5.927 1.00 0.00 C ATOM 364 C LYS A 24 18.589 33.991 5.573 1.00 0.00 C ATOM 365 O LYS A 24 18.796 33.153 6.446 1.00 0.00 O ATOM 366 CB LYS A 24 17.188 35.887 6.412 1.00 0.00 C ATOM 367 CG LYS A 24 17.116 37.385 6.711 1.00 0.00 C ATOM 368 CD LYS A 24 15.696 37.741 7.137 1.00 0.00 C ATOM 369 CE LYS A 24 15.566 39.255 7.283 1.00 0.00 C ATOM 370 NZ LYS A 24 14.162 39.638 7.520 1.00 0.00 N ATOM 0 H LYS A 24 18.175 36.469 4.131 1.00 0.00 H new ATOM 0 HA LYS A 24 19.311 35.642 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.448 35.631 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.933 35.324 7.310 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.822 37.645 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.399 37.959 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 24 14.982 37.375 6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.457 37.253 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.187 39.600 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.935 39.745 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.082 40.675 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.564 39.253 6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.848 39.256 8.435 1.00 0.00 H new ATOM 384 N ILE A 25 18.366 33.664 4.296 1.00 0.00 N ATOM 385 CA ILE A 25 18.318 32.283 3.837 1.00 0.00 C ATOM 386 C ILE A 25 19.709 31.796 3.439 1.00 0.00 C ATOM 387 O ILE A 25 20.022 30.621 3.607 1.00 0.00 O ATOM 388 CB ILE A 25 17.350 32.186 2.649 1.00 0.00 C ATOM 389 CG1 ILE A 25 15.955 32.692 3.037 1.00 0.00 C ATOM 390 CG2 ILE A 25 17.271 30.745 2.134 1.00 0.00 C ATOM 391 CD1 ILE A 25 15.054 32.815 1.813 1.00 0.00 C ATOM 0 H ILE A 25 18.215 34.351 3.558 1.00 0.00 H new ATOM 0 HA ILE A 25 17.965 31.645 4.647 1.00 0.00 H new ATOM 0 HB ILE A 25 17.733 32.820 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.504 32.009 3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 25 16.040 33.661 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 25 16.580 30.697 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 25 18.260 30.419 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 25 16.917 30.092 2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.072 33.176 2.119 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.495 33.518 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.950 31.839 1.338 1.00 0.00 H new ATOM 403 N LEU A 26 20.544 32.700 2.913 1.00 0.00 N ATOM 404 CA LEU A 26 21.850 32.370 2.355 1.00 0.00 C ATOM 405 C LEU A 26 22.984 33.133 3.045 1.00 0.00 C ATOM 406 O LEU A 26 24.115 33.114 2.564 1.00 0.00 O ATOM 407 CB LEU A 26 21.842 32.661 0.848 1.00 0.00 C ATOM 408 CG LEU A 26 20.621 32.076 0.133 1.00 0.00 C ATOM 409 CD1 LEU A 26 20.620 32.525 -1.323 1.00 0.00 C ATOM 410 CD2 LEU A 26 20.647 30.549 0.183 1.00 0.00 C ATOM 0 H LEU A 26 20.323 33.695 2.865 1.00 0.00 H new ATOM 0 HA LEU A 26 22.036 31.310 2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.866 33.739 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.748 32.254 0.400 1.00 0.00 H new ATOM 0 HG LEU A 26 19.722 32.432 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.751 32.108 -1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.580 33.613 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 26 21.529 32.175 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.771 30.153 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.550 30.184 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.639 30.219 1.222 1.00 0.00 H new ATOM 422 N GLY A 27 22.696 33.805 4.165 1.00 0.00 N ATOM 423 CA GLY A 27 23.687 34.605 4.880 1.00 0.00 C ATOM 424 C GLY A 27 24.686 33.745 5.651 1.00 0.00 C ATOM 425 O GLY A 27 25.711 34.247 6.109 1.00 0.00 O ATOM 0 H GLY A 27 21.772 33.808 4.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.225 35.232 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 27 23.177 35.274 5.573 1.00 0.00 H new ATOM 429 N ASN A 28 24.385 32.451 5.795 1.00 0.00 N ATOM 430 CA ASN A 28 25.226 31.491 6.486 1.00 0.00 C ATOM 431 C ASN A 28 25.528 30.344 5.519 1.00 0.00 C ATOM 432 O ASN A 28 25.504 30.535 4.303 1.00 0.00 O ATOM 433 CB ASN A 28 24.489 30.983 7.736 1.00 0.00 C ATOM 434 CG ASN A 28 24.074 32.107 8.676 1.00 0.00 C ATOM 435 OD1 ASN A 28 24.746 33.129 8.787 1.00 0.00 O ATOM 436 ND2 ASN A 28 22.955 31.924 9.371 1.00 0.00 N ATOM 0 H ASN A 28 23.529 32.041 5.423 1.00 0.00 H new ATOM 0 HA ASN A 28 26.163 31.946 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 28 23.603 30.427 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 28 25.132 30.286 8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 28 22.633 32.644 10.018 1.00 0.00 H new ATOM 0 HD22 ASN A 28 22.419 31.064 9.257 1.00 0.00 H new ATOM 443 N ARG A 29 25.812 29.151 6.049 1.00 0.00 N ATOM 444 CA ARG A 29 26.005 27.944 5.249 1.00 0.00 C ATOM 445 C ARG A 29 24.678 27.449 4.662 1.00 0.00 C ATOM 446 O ARG A 29 24.521 26.253 4.416 1.00 0.00 O ATOM 447 CB ARG A 29 26.674 26.858 6.096 1.00 0.00 C ATOM 448 CG ARG A 29 27.990 27.327 6.730 1.00 0.00 C ATOM 449 CD ARG A 29 28.992 27.826 5.693 1.00 0.00 C ATOM 450 NE ARG A 29 29.321 26.778 4.717 1.00 0.00 N ATOM 451 CZ ARG A 29 29.379 26.962 3.393 1.00 0.00 C ATOM 452 NH1 ARG A 29 29.135 28.154 2.850 1.00 0.00 N ATOM 453 NH2 ARG A 29 29.686 25.942 2.598 1.00 0.00 N ATOM 0 H ARG A 29 25.915 28.997 7.052 1.00 0.00 H new ATOM 0 HA ARG A 29 26.659 28.184 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 29 25.989 26.543 6.883 1.00 0.00 H new ATOM 0 HB3 ARG A 29 26.867 25.985 5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 29 27.782 28.125 7.443 1.00 0.00 H new ATOM 0 HG3 ARG A 29 28.432 26.504 7.292 1.00 0.00 H new ATOM 0 HD2 ARG A 29 28.580 28.692 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 29 29.902 28.157 6.194 1.00 0.00 H new ATOM 0 HE ARG A 29 29.519 25.843 5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 29 28.899 28.947 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.184 28.273 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.876 25.023 2.998 1.00 0.00 H new ATOM 0 HH22 ARG A 29 29.731 26.078 1.588 1.00 0.00 H new ATOM 467 N ALA A 30 23.731 28.367 4.446 1.00 0.00 N ATOM 468 CA ALA A 30 22.383 28.078 3.976 1.00 0.00 C ATOM 469 C ALA A 30 21.658 27.080 4.883 1.00 0.00 C ATOM 470 O ALA A 30 20.804 26.326 4.421 1.00 0.00 O ATOM 471 CB ALA A 30 22.404 27.661 2.506 1.00 0.00 C ATOM 0 H ALA A 30 23.892 29.362 4.600 1.00 0.00 H new ATOM 0 HA ALA A 30 21.796 28.994 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 30 21.388 27.449 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 30 22.822 28.468 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 30 23.017 26.767 2.390 1.00 0.00 H new ATOM 477 N ALA A 31 21.993 27.072 6.178 1.00 0.00 N ATOM 478 CA ALA A 31 21.390 26.153 7.132 1.00 0.00 C ATOM 479 C ALA A 31 19.877 26.374 7.244 1.00 0.00 C ATOM 480 O ALA A 31 19.148 25.462 7.627 1.00 0.00 O ATOM 481 CB ALA A 31 22.058 26.361 8.489 1.00 0.00 C ATOM 0 H ALA A 31 22.685 27.700 6.586 1.00 0.00 H new ATOM 0 HA ALA A 31 21.542 25.130 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 31 21.619 25.680 9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 31 23.126 26.161 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 31 21.906 27.390 8.815 1.00 0.00 H new ATOM 487 N VAL A 32 19.400 27.579 6.914 1.00 0.00 N ATOM 488 CA VAL A 32 17.974 27.890 6.934 1.00 0.00 C ATOM 489 C VAL A 32 17.312 27.131 5.789 1.00 0.00 C ATOM 490 O VAL A 32 16.230 26.570 5.961 1.00 0.00 O ATOM 491 CB VAL A 32 17.803 29.398 6.726 1.00 0.00 C ATOM 492 CG1 VAL A 32 16.376 29.755 6.306 1.00 0.00 C ATOM 493 CG2 VAL A 32 18.148 30.139 8.015 1.00 0.00 C ATOM 0 H VAL A 32 19.991 28.359 6.628 1.00 0.00 H new ATOM 0 HA VAL A 32 17.520 27.602 7.882 1.00 0.00 H new ATOM 0 HB VAL A 32 18.478 29.699 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.296 30.833 6.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.135 29.251 5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.678 29.435 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 32 18.025 31.211 7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 32 17.485 29.808 8.814 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.181 29.928 8.291 1.00 0.00 H new ATOM 503 N LYS A 33 17.959 27.110 4.619 1.00 0.00 N ATOM 504 CA LYS A 33 17.417 26.441 3.446 1.00 0.00 C ATOM 505 C LYS A 33 17.515 24.929 3.621 1.00 0.00 C ATOM 506 O LYS A 33 16.583 24.202 3.285 1.00 0.00 O ATOM 507 CB LYS A 33 18.193 26.904 2.212 1.00 0.00 C ATOM 508 CG LYS A 33 17.562 26.372 0.923 1.00 0.00 C ATOM 509 CD LYS A 33 18.322 26.902 -0.296 1.00 0.00 C ATOM 510 CE LYS A 33 19.708 26.267 -0.415 1.00 0.00 C ATOM 511 NZ LYS A 33 19.615 24.836 -0.770 1.00 0.00 N ATOM 0 H LYS A 33 18.864 27.554 4.465 1.00 0.00 H new ATOM 0 HA LYS A 33 16.365 26.696 3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.218 27.993 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 33 19.226 26.563 2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.578 25.282 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.517 26.676 0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.749 26.697 -1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.422 27.985 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.288 26.795 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 33 20.242 26.376 0.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.571 24.446 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.126 24.321 -0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.082 24.732 -1.657 1.00 0.00 H new ATOM 525 N LYS A 34 18.646 24.455 4.152 1.00 0.00 N ATOM 526 CA LYS A 34 18.903 23.033 4.329 1.00 0.00 C ATOM 527 C LYS A 34 18.012 22.415 5.404 1.00 0.00 C ATOM 528 O LYS A 34 17.743 21.217 5.353 1.00 0.00 O ATOM 529 CB LYS A 34 20.380 22.831 4.671 1.00 0.00 C ATOM 530 CG LYS A 34 21.258 23.208 3.478 1.00 0.00 C ATOM 531 CD LYS A 34 22.725 23.221 3.902 1.00 0.00 C ATOM 532 CE LYS A 34 23.600 23.575 2.701 1.00 0.00 C ATOM 533 NZ LYS A 34 25.009 23.747 3.101 1.00 0.00 N ATOM 0 H LYS A 34 19.408 25.053 4.470 1.00 0.00 H new ATOM 0 HA LYS A 34 18.665 22.523 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.647 23.440 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.557 21.792 4.947 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.110 22.496 2.666 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.971 24.188 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.877 23.946 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 34 23.009 22.246 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.526 22.789 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.235 24.493 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.609 23.784 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 25.112 24.632 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.301 22.946 3.696 1.00 0.00 H new ATOM 547 N HIS A 35 17.551 23.207 6.379 1.00 0.00 N ATOM 548 CA HIS A 35 16.663 22.688 7.407 1.00 0.00 C ATOM 549 C HIS A 35 15.271 22.438 6.833 1.00 0.00 C ATOM 550 O HIS A 35 14.621 21.460 7.194 1.00 0.00 O ATOM 551 CB HIS A 35 16.573 23.681 8.566 1.00 0.00 C ATOM 552 CG HIS A 35 15.788 23.124 9.725 1.00 0.00 C ATOM 553 ND1 HIS A 35 14.491 23.417 10.045 1.00 0.00 N flip ATOM 554 CD2 HIS A 35 16.257 22.219 10.663 1.00 0.00 C flip ATOM 555 CE1 HIS A 35 14.179 22.688 11.176 1.00 0.00 C flip ATOM 556 NE2 HIS A 35 15.262 21.966 11.533 1.00 0.00 N flip ATOM 0 H HIS A 35 17.779 24.197 6.472 1.00 0.00 H new ATOM 0 HA HIS A 35 17.067 21.743 7.771 1.00 0.00 H new ATOM 0 HB2 HIS A 35 17.578 23.941 8.900 1.00 0.00 H new ATOM 0 HB3 HIS A 35 16.104 24.602 8.219 1.00 0.00 H new ATOM 0 HD2 HIS A 35 17.248 21.791 10.691 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.228 22.695 11.688 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.317 21.333 12.331 1.00 0.00 H new ATOM 565 N ILE A 36 14.812 23.318 5.937 1.00 0.00 N ATOM 566 CA ILE A 36 13.499 23.181 5.319 1.00 0.00 C ATOM 567 C ILE A 36 13.500 22.023 4.321 1.00 0.00 C ATOM 568 O ILE A 36 12.466 21.395 4.100 1.00 0.00 O ATOM 569 CB ILE A 36 13.097 24.524 4.690 1.00 0.00 C ATOM 570 CG1 ILE A 36 12.813 25.526 5.818 1.00 0.00 C ATOM 571 CG2 ILE A 36 11.858 24.373 3.802 1.00 0.00 C ATOM 572 CD1 ILE A 36 12.581 26.942 5.290 1.00 0.00 C ATOM 0 H ILE A 36 15.337 24.135 5.626 1.00 0.00 H new ATOM 0 HA ILE A 36 12.747 22.934 6.069 1.00 0.00 H new ATOM 0 HB ILE A 36 13.913 24.881 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.936 25.201 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.651 25.533 6.515 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.599 25.340 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.069 23.664 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.024 24.007 4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.384 27.614 6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.467 27.280 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.726 26.943 4.614 1.00 0.00 H new ATOM 584 N GLU A 37 14.655 21.727 3.714 1.00 0.00 N ATOM 585 CA GLU A 37 14.780 20.591 2.811 1.00 0.00 C ATOM 586 C GLU A 37 14.622 19.269 3.561 1.00 0.00 C ATOM 587 O GLU A 37 14.102 18.300 3.009 1.00 0.00 O ATOM 588 CB GLU A 37 16.141 20.639 2.122 1.00 0.00 C ATOM 589 CG GLU A 37 16.192 21.787 1.114 1.00 0.00 C ATOM 590 CD GLU A 37 17.588 21.956 0.513 1.00 0.00 C ATOM 591 OE1 GLU A 37 18.511 21.224 0.933 1.00 0.00 O ATOM 592 OE2 GLU A 37 17.725 22.829 -0.372 1.00 0.00 O ATOM 0 H GLU A 37 15.514 22.263 3.836 1.00 0.00 H new ATOM 0 HA GLU A 37 13.986 20.652 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.927 20.766 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.332 19.693 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.473 21.602 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.893 22.714 1.604 1.00 0.00 H new ATOM 599 N ARG A 38 15.070 19.217 4.821 1.00 0.00 N ATOM 600 CA ARG A 38 14.950 18.023 5.646 1.00 0.00 C ATOM 601 C ARG A 38 13.588 17.953 6.331 1.00 0.00 C ATOM 602 O ARG A 38 13.184 16.886 6.790 1.00 0.00 O ATOM 603 CB ARG A 38 16.074 18.007 6.685 1.00 0.00 C ATOM 604 CG ARG A 38 17.439 17.916 6.002 1.00 0.00 C ATOM 605 CD ARG A 38 18.550 17.948 7.051 1.00 0.00 C ATOM 606 NE ARG A 38 19.872 17.861 6.418 1.00 0.00 N ATOM 607 CZ ARG A 38 20.866 18.737 6.586 1.00 0.00 C ATOM 608 NH1 ARG A 38 20.719 19.805 7.368 1.00 0.00 N ATOM 609 NH2 ARG A 38 22.028 18.547 5.964 1.00 0.00 N ATOM 0 H ARG A 38 15.523 20.001 5.290 1.00 0.00 H new ATOM 0 HA ARG A 38 15.037 17.147 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 38 16.026 18.910 7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 38 15.942 17.160 7.359 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.503 16.997 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.562 18.744 5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 38 18.481 18.868 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 38 18.421 17.120 7.748 1.00 0.00 H new ATOM 0 HE ARG A 38 20.045 17.068 5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 38 19.835 19.965 7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 38 21.490 20.463 7.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 22.157 17.734 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.789 19.214 6.090 1.00 0.00 H new ATOM 623 N GLN A 39 12.877 19.082 6.399 1.00 0.00 N ATOM 624 CA GLN A 39 11.571 19.162 7.032 1.00 0.00 C ATOM 625 C GLN A 39 10.473 18.615 6.123 1.00 0.00 C ATOM 626 O GLN A 39 9.449 18.137 6.616 1.00 0.00 O ATOM 627 CB GLN A 39 11.301 20.628 7.386 1.00 0.00 C ATOM 628 CG GLN A 39 9.888 20.861 7.925 1.00 0.00 C ATOM 629 CD GLN A 39 9.598 20.054 9.184 1.00 0.00 C ATOM 630 OE1 GLN A 39 10.504 19.704 9.934 1.00 0.00 O ATOM 631 NE2 GLN A 39 8.327 19.752 9.429 1.00 0.00 N ATOM 0 H GLN A 39 13.200 19.969 6.012 1.00 0.00 H new ATOM 0 HA GLN A 39 11.567 18.549 7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 39 12.027 20.956 8.130 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.452 21.244 6.500 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.756 21.921 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.162 20.599 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.597 20.058 8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.082 19.214 10.260 1.00 0.00 H new ATOM 640 N PHE A 40 10.681 18.680 4.806 1.00 0.00 N ATOM 641 CA PHE A 40 9.683 18.251 3.836 1.00 0.00 C ATOM 642 C PHE A 40 10.260 17.301 2.782 1.00 0.00 C ATOM 643 O PHE A 40 9.586 16.978 1.805 1.00 0.00 O ATOM 644 CB PHE A 40 9.046 19.482 3.191 1.00 0.00 C ATOM 645 CG PHE A 40 8.371 20.416 4.172 1.00 0.00 C ATOM 646 CD1 PHE A 40 8.802 21.749 4.272 1.00 0.00 C ATOM 647 CD2 PHE A 40 7.322 19.961 4.985 1.00 0.00 C ATOM 648 CE1 PHE A 40 8.181 22.625 5.170 1.00 0.00 C ATOM 649 CE2 PHE A 40 6.705 20.837 5.888 1.00 0.00 C ATOM 650 CZ PHE A 40 7.132 22.169 5.981 1.00 0.00 C ATOM 0 H PHE A 40 11.543 19.030 4.388 1.00 0.00 H new ATOM 0 HA PHE A 40 8.917 17.682 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.815 20.034 2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.312 19.154 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.615 22.099 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.990 18.936 4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.510 23.652 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.898 20.485 6.514 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.654 22.843 6.676 1.00 0.00 H new ATOM 660 N ASN A 41 11.505 16.852 2.982 1.00 0.00 N ATOM 661 CA ASN A 41 12.217 15.981 2.052 1.00 0.00 C ATOM 662 C ASN A 41 12.313 16.595 0.650 1.00 0.00 C ATOM 663 O ASN A 41 12.555 15.888 -0.329 1.00 0.00 O ATOM 664 CB ASN A 41 11.582 14.583 2.061 1.00 0.00 C ATOM 665 CG ASN A 41 12.480 13.546 1.393 1.00 0.00 C ATOM 666 OD1 ASN A 41 13.704 13.660 1.407 1.00 0.00 O ATOM 667 ND2 ASN A 41 11.873 12.521 0.803 1.00 0.00 N ATOM 0 H ASN A 41 12.051 17.090 3.810 1.00 0.00 H new ATOM 0 HA ASN A 41 13.249 15.874 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.382 14.282 3.089 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.622 14.617 1.546 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.425 11.797 0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.855 12.458 0.811 1.00 0.00 H new ATOM 674 N CYS A 42 12.122 17.913 0.547 1.00 0.00 N ATOM 675 CA CYS A 42 12.208 18.643 -0.704 1.00 0.00 C ATOM 676 C CYS A 42 13.638 19.146 -0.931 1.00 0.00 C ATOM 677 O CYS A 42 14.531 18.915 -0.116 1.00 0.00 O ATOM 678 CB CYS A 42 11.212 19.807 -0.655 1.00 0.00 C ATOM 679 SG CYS A 42 11.704 20.971 0.641 1.00 0.00 S ATOM 0 H CYS A 42 11.900 18.505 1.348 1.00 0.00 H new ATOM 0 HA CYS A 42 11.957 17.989 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 42 11.181 20.313 -1.620 1.00 0.00 H new ATOM 0 HB3 CYS A 42 10.208 19.432 -0.459 1.00 0.00 H new ATOM 0 HG CYS A 42 11.726 22.177 0.156 1.00 0.00 H new ATOM 685 N VAL A 43 13.849 19.844 -2.051 1.00 0.00 N ATOM 686 CA VAL A 43 15.119 20.474 -2.381 1.00 0.00 C ATOM 687 C VAL A 43 14.838 21.907 -2.824 1.00 0.00 C ATOM 688 O VAL A 43 13.805 22.166 -3.439 1.00 0.00 O ATOM 689 CB VAL A 43 15.844 19.673 -3.466 1.00 0.00 C ATOM 690 CG1 VAL A 43 17.137 20.364 -3.888 1.00 0.00 C ATOM 691 CG2 VAL A 43 16.178 18.268 -2.962 1.00 0.00 C ATOM 0 H VAL A 43 13.129 19.986 -2.760 1.00 0.00 H new ATOM 0 HA VAL A 43 15.776 20.493 -1.511 1.00 0.00 H new ATOM 0 HB VAL A 43 15.176 19.608 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 43 17.631 19.773 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL A 43 16.909 21.355 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.797 20.459 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.693 17.713 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.822 18.339 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 43 15.258 17.749 -2.695 1.00 0.00 H new ATOM 701 N ILE A 44 15.746 22.838 -2.521 1.00 0.00 N ATOM 702 CA ILE A 44 15.559 24.244 -2.850 1.00 0.00 C ATOM 703 C ILE A 44 16.819 24.796 -3.516 1.00 0.00 C ATOM 704 O ILE A 44 17.936 24.442 -3.139 1.00 0.00 O ATOM 705 CB ILE A 44 15.184 25.039 -1.589 1.00 0.00 C ATOM 706 CG1 ILE A 44 13.916 24.466 -0.945 1.00 0.00 C ATOM 707 CG2 ILE A 44 14.978 26.522 -1.921 1.00 0.00 C ATOM 708 CD1 ILE A 44 13.623 25.113 0.405 1.00 0.00 C ATOM 0 H ILE A 44 16.624 22.635 -2.044 1.00 0.00 H new ATOM 0 HA ILE A 44 14.737 24.345 -3.558 1.00 0.00 H new ATOM 0 HB ILE A 44 16.008 24.952 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 44 13.068 24.619 -1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 44 14.029 23.390 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.713 27.065 -1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 44 15.899 26.934 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.175 26.623 -2.651 1.00 0.00 H new ATOM 0 HD11 ILE A 44 12.717 24.679 0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.459 24.937 1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.483 26.186 0.272 1.00 0.00 H new ATOM 720 N THR A 45 16.633 25.668 -4.508 1.00 0.00 N ATOM 721 CA THR A 45 17.729 26.241 -5.282 1.00 0.00 C ATOM 722 C THR A 45 17.632 27.740 -5.529 1.00 0.00 C ATOM 723 O THR A 45 16.565 28.243 -5.880 1.00 0.00 O ATOM 724 CB THR A 45 17.957 25.469 -6.585 1.00 0.00 C ATOM 725 OG1 THR A 45 17.737 24.087 -6.395 1.00 0.00 O ATOM 726 CG2 THR A 45 19.363 25.710 -7.126 1.00 0.00 C ATOM 0 H THR A 45 15.712 25.997 -4.797 1.00 0.00 H new ATOM 0 HA THR A 45 18.607 26.125 -4.646 1.00 0.00 H new ATOM 0 HB THR A 45 17.240 25.837 -7.318 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.886 23.613 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 45 19.498 25.150 -8.051 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.500 26.773 -7.322 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.097 25.379 -6.391 1.00 0.00 H new ATOM 734 N VAL A 46 18.747 28.454 -5.351 1.00 0.00 N ATOM 735 CA VAL A 46 18.825 29.877 -5.647 1.00 0.00 C ATOM 736 C VAL A 46 19.292 30.147 -7.076 1.00 0.00 C ATOM 737 O VAL A 46 19.973 29.316 -7.677 1.00 0.00 O ATOM 738 CB VAL A 46 19.678 30.608 -4.601 1.00 0.00 C ATOM 739 CG1 VAL A 46 21.171 30.389 -4.844 1.00 0.00 C ATOM 740 CG2 VAL A 46 19.374 32.105 -4.635 1.00 0.00 C ATOM 0 H VAL A 46 19.618 28.057 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 46 17.815 30.283 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 46 19.426 30.199 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 46 21.745 30.921 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 46 21.396 29.324 -4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 46 21.438 30.766 -5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 46 19.983 32.617 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 46 19.603 32.500 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 46 18.319 32.267 -4.415 1.00 0.00 H new ATOM 750 N HIS A 47 18.927 31.311 -7.619 1.00 0.00 N ATOM 751 CA HIS A 47 19.322 31.745 -8.948 1.00 0.00 C ATOM 752 C HIS A 47 19.785 33.200 -8.907 1.00 0.00 C ATOM 753 O HIS A 47 19.206 34.063 -9.563 1.00 0.00 O ATOM 754 CB HIS A 47 18.162 31.500 -9.916 1.00 0.00 C ATOM 755 CG HIS A 47 18.046 30.054 -10.306 1.00 0.00 C ATOM 756 ND1 HIS A 47 18.853 29.401 -11.219 1.00 0.00 N ATOM 757 CD2 HIS A 47 17.122 29.157 -9.846 1.00 0.00 C ATOM 758 CE1 HIS A 47 18.426 28.128 -11.313 1.00 0.00 C ATOM 759 NE2 HIS A 47 17.368 27.964 -10.493 1.00 0.00 N ATOM 0 H HIS A 47 18.337 31.986 -7.132 1.00 0.00 H new ATOM 0 HA HIS A 47 20.172 31.167 -9.310 1.00 0.00 H new ATOM 0 HB2 HIS A 47 17.230 31.826 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 47 18.303 32.106 -10.811 1.00 0.00 H new ATOM 0 HD1 HIS A 47 19.634 29.811 -11.731 1.00 0.00 H new ATOM 0 HD2 HIS A 47 16.348 29.346 -9.116 1.00 0.00 H new ATOM 0 HE1 HIS A 47 18.859 27.364 -11.941 1.00 0.00 H new ATOM 0 HE2 HIS A 47 16.838 27.101 -10.371 1.00 0.00 H new ATOM 768 N THR A 48 20.837 33.466 -8.126 1.00 0.00 N ATOM 769 CA THR A 48 21.386 34.806 -7.954 1.00 0.00 C ATOM 770 C THR A 48 21.943 35.451 -9.217 1.00 0.00 C ATOM 771 O THR A 48 22.237 36.648 -9.219 1.00 0.00 O ATOM 772 CB THR A 48 22.370 34.887 -6.780 1.00 0.00 C ATOM 773 OG1 THR A 48 23.668 34.557 -7.230 1.00 0.00 O ATOM 774 CG2 THR A 48 21.994 33.958 -5.623 1.00 0.00 C ATOM 0 H THR A 48 21.331 32.750 -7.594 1.00 0.00 H new ATOM 0 HA THR A 48 20.518 35.416 -7.704 1.00 0.00 H new ATOM 0 HB THR A 48 22.334 35.910 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 48 24.297 34.610 -6.481 1.00 0.00 H new ATOM 0 HG21 THR A 48 22.727 34.059 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 48 21.006 34.226 -5.247 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.981 32.926 -5.974 1.00 0.00 H new ATOM 782 N GLU A 49 22.091 34.677 -10.296 1.00 0.00 N ATOM 783 CA GLU A 49 22.521 35.207 -11.579 1.00 0.00 C ATOM 784 C GLU A 49 21.379 35.969 -12.257 1.00 0.00 C ATOM 785 O GLU A 49 21.593 36.621 -13.278 1.00 0.00 O ATOM 786 CB GLU A 49 23.044 34.071 -12.471 1.00 0.00 C ATOM 787 CG GLU A 49 21.967 33.082 -12.941 1.00 0.00 C ATOM 788 CD GLU A 49 21.561 32.039 -11.902 1.00 0.00 C ATOM 789 OE1 GLU A 49 22.170 32.014 -10.809 1.00 0.00 O ATOM 790 OE2 GLU A 49 20.632 31.261 -12.213 1.00 0.00 O ATOM 0 H GLU A 49 21.916 33.672 -10.298 1.00 0.00 H new ATOM 0 HA GLU A 49 23.336 35.912 -11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.526 34.506 -13.346 1.00 0.00 H new ATOM 0 HB3 GLU A 49 23.811 33.521 -11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.081 33.644 -13.237 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.330 32.567 -13.831 1.00 0.00 H new ATOM 797 N VAL A 50 20.166 35.892 -11.696 1.00 0.00 N ATOM 798 CA VAL A 50 18.996 36.601 -12.195 1.00 0.00 C ATOM 799 C VAL A 50 18.710 37.850 -11.376 1.00 0.00 C ATOM 800 O VAL A 50 18.984 37.895 -10.179 1.00 0.00 O ATOM 801 CB VAL A 50 17.770 35.681 -12.228 1.00 0.00 C ATOM 802 CG1 VAL A 50 16.600 36.343 -12.961 1.00 0.00 C ATOM 803 CG2 VAL A 50 18.092 34.349 -12.906 1.00 0.00 C ATOM 0 H VAL A 50 19.974 35.325 -10.870 1.00 0.00 H new ATOM 0 HA VAL A 50 19.215 36.916 -13.215 1.00 0.00 H new ATOM 0 HB VAL A 50 17.487 35.496 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 50 15.745 35.666 -12.968 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.327 37.267 -12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.893 36.568 -13.986 1.00 0.00 H new ATOM 0 HG21 VAL A 50 17.202 33.720 -12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.416 34.531 -13.931 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.888 33.845 -12.358 1.00 0.00 H new ATOM 813 N GLN A 51 18.151 38.872 -12.027 1.00 0.00 N ATOM 814 CA GLN A 51 17.719 40.101 -11.381 1.00 0.00 C ATOM 815 C GLN A 51 16.402 40.549 -12.007 1.00 0.00 C ATOM 816 O GLN A 51 16.316 40.716 -13.222 1.00 0.00 O ATOM 817 CB GLN A 51 18.786 41.194 -11.526 1.00 0.00 C ATOM 818 CG GLN A 51 20.029 40.927 -10.674 1.00 0.00 C ATOM 819 CD GLN A 51 19.741 41.137 -9.189 1.00 0.00 C ATOM 820 OE1 GLN A 51 19.833 42.253 -8.689 1.00 0.00 O ATOM 821 NE2 GLN A 51 19.389 40.070 -8.478 1.00 0.00 N ATOM 0 H GLN A 51 17.986 38.863 -13.033 1.00 0.00 H new ATOM 0 HA GLN A 51 17.574 39.921 -10.316 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.079 41.273 -12.573 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.356 42.155 -11.242 1.00 0.00 H new ATOM 0 HG2 GLN A 51 20.373 39.906 -10.839 1.00 0.00 H new ATOM 0 HG3 GLN A 51 20.836 41.589 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 51 19.323 39.157 -8.928 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.185 40.165 -7.483 1.00 0.00 H new ATOM 830 N SER A 52 15.378 40.746 -11.174 1.00 0.00 N ATOM 831 CA SER A 52 14.075 41.208 -11.629 1.00 0.00 C ATOM 832 C SER A 52 14.127 42.702 -11.944 1.00 0.00 C ATOM 833 O SER A 52 15.177 43.337 -11.841 1.00 0.00 O ATOM 834 CB SER A 52 13.043 40.940 -10.536 1.00 0.00 C ATOM 835 OG SER A 52 13.246 41.815 -9.448 1.00 0.00 O ATOM 0 H SER A 52 15.433 40.589 -10.168 1.00 0.00 H new ATOM 0 HA SER A 52 13.795 40.673 -12.536 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.037 41.072 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.119 39.906 -10.200 1.00 0.00 H new ATOM 0 HG SER A 52 12.385 42.020 -9.028 1.00 0.00 H new ATOM 841 N SER A 53 12.980 43.271 -12.330 1.00 0.00 N ATOM 842 CA SER A 53 12.857 44.695 -12.605 1.00 0.00 C ATOM 843 C SER A 53 13.060 45.516 -11.325 1.00 0.00 C ATOM 844 O SER A 53 13.147 46.743 -11.372 1.00 0.00 O ATOM 845 CB SER A 53 11.487 44.955 -13.227 1.00 0.00 C ATOM 846 OG SER A 53 11.319 46.324 -13.542 1.00 0.00 O ATOM 0 H SER A 53 12.112 42.750 -12.459 1.00 0.00 H new ATOM 0 HA SER A 53 13.632 45.006 -13.306 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.375 44.355 -14.130 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.705 44.640 -12.536 1.00 0.00 H new ATOM 0 HG SER A 53 11.872 46.868 -12.943 1.00 0.00 H new ATOM 852 N PHE A 54 13.135 44.830 -10.177 1.00 0.00 N ATOM 853 CA PHE A 54 13.341 45.427 -8.868 1.00 0.00 C ATOM 854 C PHE A 54 14.514 44.887 -8.045 1.00 0.00 C ATOM 855 O PHE A 54 14.629 45.166 -6.851 1.00 0.00 O ATOM 856 CB PHE A 54 12.022 45.605 -8.112 1.00 0.00 C ATOM 857 CG PHE A 54 11.059 44.447 -8.280 1.00 0.00 C ATOM 858 CD1 PHE A 54 11.236 43.270 -7.537 1.00 0.00 C ATOM 859 CD2 PHE A 54 9.994 44.544 -9.185 1.00 0.00 C ATOM 860 CE1 PHE A 54 10.350 42.195 -7.698 1.00 0.00 C ATOM 861 CE2 PHE A 54 9.110 43.467 -9.345 1.00 0.00 C ATOM 862 CZ PHE A 54 9.289 42.292 -8.605 1.00 0.00 C ATOM 0 H PHE A 54 13.050 43.814 -10.142 1.00 0.00 H new ATOM 0 HA PHE A 54 13.710 46.432 -9.071 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.237 45.736 -7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.539 46.520 -8.454 1.00 0.00 H new ATOM 0 HD1 PHE A 54 12.057 43.192 -6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.854 45.448 -9.759 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.487 41.292 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.288 43.544 -10.042 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.610 41.462 -8.734 1.00 0.00 H new ATOM 872 N GLY A 55 15.387 44.108 -8.690 1.00 0.00 N ATOM 873 CA GLY A 55 16.606 43.594 -8.082 1.00 0.00 C ATOM 874 C GLY A 55 16.380 42.374 -7.191 1.00 0.00 C ATOM 875 O GLY A 55 17.319 41.903 -6.554 1.00 0.00 O ATOM 0 H GLY A 55 15.261 43.816 -9.659 1.00 0.00 H new ATOM 0 HA2 GLY A 55 17.312 43.332 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY A 55 17.068 44.384 -7.490 1.00 0.00 H new ATOM 879 N ALA A 56 15.150 41.851 -7.132 1.00 0.00 N ATOM 880 CA ALA A 56 14.837 40.698 -6.304 1.00 0.00 C ATOM 881 C ALA A 56 15.459 39.427 -6.884 1.00 0.00 C ATOM 882 O ALA A 56 15.776 39.364 -8.075 1.00 0.00 O ATOM 883 CB ALA A 56 13.322 40.549 -6.183 1.00 0.00 C ATOM 0 H ALA A 56 14.355 42.217 -7.655 1.00 0.00 H new ATOM 0 HA ALA A 56 15.259 40.853 -5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.090 39.684 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.903 41.446 -5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.890 40.410 -7.174 1.00 0.00 H new ATOM 889 N THR A 57 15.630 38.413 -6.031 1.00 0.00 N ATOM 890 CA THR A 57 16.197 37.127 -6.413 1.00 0.00 C ATOM 891 C THR A 57 15.192 35.981 -6.471 1.00 0.00 C ATOM 892 O THR A 57 14.489 35.740 -5.489 1.00 0.00 O ATOM 893 CB THR A 57 17.430 36.786 -5.577 1.00 0.00 C ATOM 894 OG1 THR A 57 18.142 37.959 -5.241 1.00 0.00 O ATOM 895 CG2 THR A 57 18.345 35.831 -6.333 1.00 0.00 C ATOM 0 H THR A 57 15.374 38.468 -5.045 1.00 0.00 H new ATOM 0 HA THR A 57 16.520 37.250 -7.447 1.00 0.00 H new ATOM 0 HB THR A 57 17.091 36.301 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 57 18.927 37.723 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 57 19.217 35.601 -5.720 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.805 34.911 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 57 18.668 36.297 -7.264 1.00 0.00 H new ATOM 903 N PRO A 58 15.104 35.265 -7.600 1.00 0.00 N ATOM 904 CA PRO A 58 14.209 34.134 -7.753 1.00 0.00 C ATOM 905 C PRO A 58 14.807 32.877 -7.129 1.00 0.00 C ATOM 906 O PRO A 58 16.029 32.718 -7.065 1.00 0.00 O ATOM 907 CB PRO A 58 14.036 33.972 -9.261 1.00 0.00 C ATOM 908 CG PRO A 58 15.395 34.413 -9.802 1.00 0.00 C ATOM 909 CD PRO A 58 15.836 35.505 -8.828 1.00 0.00 C ATOM 0 HA PRO A 58 13.256 34.294 -7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.806 32.942 -9.534 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.226 34.592 -9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.105 33.586 -9.824 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.316 34.793 -10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.911 35.463 -8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 58 15.616 36.495 -9.226 1.00 0.00 H new ATOM 917 N VAL A 59 13.926 31.983 -6.670 1.00 0.00 N ATOM 918 CA VAL A 59 14.292 30.681 -6.133 1.00 0.00 C ATOM 919 C VAL A 59 13.372 29.580 -6.647 1.00 0.00 C ATOM 920 O VAL A 59 12.250 29.852 -7.067 1.00 0.00 O ATOM 921 CB VAL A 59 14.411 30.687 -4.603 1.00 0.00 C ATOM 922 CG1 VAL A 59 14.975 32.006 -4.068 1.00 0.00 C ATOM 923 CG2 VAL A 59 13.061 30.439 -3.931 1.00 0.00 C ATOM 0 H VAL A 59 12.920 32.153 -6.664 1.00 0.00 H new ATOM 0 HA VAL A 59 15.291 30.455 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 59 15.100 29.878 -4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.040 31.960 -2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 59 15.969 32.172 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.319 32.827 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.186 30.451 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.360 31.221 -4.224 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.673 29.469 -4.241 1.00 0.00 H new ATOM 933 N GLU A 60 13.852 28.335 -6.618 1.00 0.00 N ATOM 934 CA GLU A 60 13.111 27.180 -7.106 1.00 0.00 C ATOM 935 C GLU A 60 13.027 26.099 -6.037 1.00 0.00 C ATOM 936 O GLU A 60 13.855 26.049 -5.127 1.00 0.00 O ATOM 937 CB GLU A 60 13.761 26.640 -8.379 1.00 0.00 C ATOM 938 CG GLU A 60 13.543 27.604 -9.543 1.00 0.00 C ATOM 939 CD GLU A 60 14.287 27.161 -10.805 1.00 0.00 C ATOM 940 OE1 GLU A 60 14.006 27.748 -11.875 1.00 0.00 O ATOM 941 OE2 GLU A 60 15.133 26.243 -10.696 1.00 0.00 O ATOM 0 H GLU A 60 14.775 28.103 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 60 12.094 27.493 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.829 26.494 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.340 25.665 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.477 27.677 -9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.879 28.600 -9.256 1.00 0.00 H new ATOM 948 N ILE A 61 12.017 25.233 -6.157 1.00 0.00 N ATOM 949 CA ILE A 61 11.773 24.149 -5.219 1.00 0.00 C ATOM 950 C ILE A 61 11.467 22.876 -5.998 1.00 0.00 C ATOM 951 O ILE A 61 10.900 22.940 -7.089 1.00 0.00 O ATOM 952 CB ILE A 61 10.614 24.515 -4.276 1.00 0.00 C ATOM 953 CG1 ILE A 61 10.836 25.899 -3.658 1.00 0.00 C ATOM 954 CG2 ILE A 61 10.442 23.448 -3.191 1.00 0.00 C ATOM 955 CD1 ILE A 61 9.683 26.306 -2.746 1.00 0.00 C ATOM 0 H ILE A 61 11.341 25.271 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 61 12.659 23.982 -4.607 1.00 0.00 H new ATOM 0 HB ILE A 61 9.694 24.551 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.766 25.898 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.949 26.637 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.617 23.726 -2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 61 10.227 22.487 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 61 11.360 23.371 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.880 27.293 -2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.757 26.333 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.587 25.582 -1.937 1.00 0.00 H new ATOM 967 N VAL A 62 11.843 21.723 -5.439 1.00 0.00 N ATOM 968 CA VAL A 62 11.600 20.421 -6.047 1.00 0.00 C ATOM 969 C VAL A 62 11.191 19.419 -4.973 1.00 0.00 C ATOM 970 O VAL A 62 11.744 19.429 -3.876 1.00 0.00 O ATOM 971 CB VAL A 62 12.854 19.942 -6.788 1.00 0.00 C ATOM 972 CG1 VAL A 62 12.608 18.575 -7.423 1.00 0.00 C ATOM 973 CG2 VAL A 62 13.262 20.922 -7.885 1.00 0.00 C ATOM 0 H VAL A 62 12.329 21.671 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 62 10.789 20.507 -6.770 1.00 0.00 H new ATOM 0 HB VAL A 62 13.657 19.875 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.508 18.249 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.358 17.853 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 62 11.783 18.646 -8.132 1.00 0.00 H new ATOM 0 HG21 VAL A 62 14.154 20.552 -8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.451 21.019 -8.606 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.473 21.896 -7.443 1.00 0.00 H new ATOM 983 N ALA A 63 10.224 18.549 -5.283 1.00 0.00 N ATOM 984 CA ALA A 63 9.775 17.523 -4.355 1.00 0.00 C ATOM 985 C ALA A 63 9.076 16.389 -5.097 1.00 0.00 C ATOM 986 O ALA A 63 8.710 16.525 -6.264 1.00 0.00 O ATOM 987 CB ALA A 63 8.830 18.141 -3.327 1.00 0.00 C ATOM 0 H ALA A 63 9.738 18.541 -6.180 1.00 0.00 H new ATOM 0 HA ALA A 63 10.644 17.109 -3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.494 17.371 -2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.352 18.924 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.968 18.570 -3.837 1.00 0.00 H new ATOM 993 N GLN A 64 8.889 15.260 -4.409 1.00 0.00 N ATOM 994 CA GLN A 64 8.244 14.085 -4.978 1.00 0.00 C ATOM 995 C GLN A 64 6.728 14.270 -5.055 1.00 0.00 C ATOM 996 O GLN A 64 6.054 13.499 -5.733 1.00 0.00 O ATOM 997 CB GLN A 64 8.555 12.876 -4.093 1.00 0.00 C ATOM 998 CG GLN A 64 10.050 12.704 -3.820 1.00 0.00 C ATOM 999 CD GLN A 64 10.874 12.539 -5.095 1.00 0.00 C ATOM 1000 OE1 GLN A 64 10.347 12.238 -6.163 1.00 0.00 O ATOM 1001 NE2 GLN A 64 12.185 12.736 -4.991 1.00 0.00 N ATOM 0 H GLN A 64 9.183 15.140 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 64 8.624 13.933 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.028 12.982 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.173 11.974 -4.572 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.415 13.570 -3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.199 11.833 -3.182 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.593 12.985 -4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.782 12.638 -5.812 1.00 0.00 H new ATOM 1010 N ASN A 65 6.197 15.281 -4.362 1.00 0.00 N ATOM 1011 CA ASN A 65 4.764 15.510 -4.244 1.00 0.00 C ATOM 1012 C ASN A 65 4.473 16.997 -4.069 1.00 0.00 C ATOM 1013 O ASN A 65 5.310 17.741 -3.560 1.00 0.00 O ATOM 1014 CB ASN A 65 4.237 14.749 -3.023 1.00 0.00 C ATOM 1015 CG ASN A 65 4.469 13.250 -3.122 1.00 0.00 C ATOM 1016 OD1 ASN A 65 3.794 12.555 -3.878 1.00 0.00 O ATOM 1017 ND2 ASN A 65 5.431 12.748 -2.351 1.00 0.00 N ATOM 0 H ASN A 65 6.761 15.969 -3.863 1.00 0.00 H new ATOM 0 HA ASN A 65 4.273 15.159 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.724 15.129 -2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.170 14.941 -2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.633 11.748 -2.373 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.966 13.363 -1.738 1.00 0.00 H new ATOM 1024 N LYS A 66 3.282 17.437 -4.483 1.00 0.00 N ATOM 1025 CA LYS A 66 2.859 18.817 -4.276 1.00 0.00 C ATOM 1026 C LYS A 66 2.600 19.071 -2.794 1.00 0.00 C ATOM 1027 O LYS A 66 2.662 20.210 -2.341 1.00 0.00 O ATOM 1028 CB LYS A 66 1.599 19.106 -5.095 1.00 0.00 C ATOM 1029 CG LYS A 66 1.862 18.925 -6.591 1.00 0.00 C ATOM 1030 CD LYS A 66 0.593 19.252 -7.378 1.00 0.00 C ATOM 1031 CE LYS A 66 0.855 19.059 -8.872 1.00 0.00 C ATOM 1032 NZ LYS A 66 -0.355 19.357 -9.666 1.00 0.00 N ATOM 0 H LYS A 66 2.596 16.854 -4.963 1.00 0.00 H new ATOM 0 HA LYS A 66 3.654 19.485 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.796 18.439 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.262 20.124 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.677 19.576 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.174 17.901 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.224 18.607 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.285 20.279 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.671 19.709 -9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.173 18.034 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.150 19.218 -10.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.125 18.720 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.643 20.343 -9.503 1.00 0.00 H new ATOM 1046 N GLU A 67 2.312 18.005 -2.045 1.00 0.00 N ATOM 1047 CA GLU A 67 2.080 18.074 -0.608 1.00 0.00 C ATOM 1048 C GLU A 67 3.392 18.289 0.156 1.00 0.00 C ATOM 1049 O GLU A 67 3.373 18.419 1.378 1.00 0.00 O ATOM 1050 CB GLU A 67 1.405 16.782 -0.142 1.00 0.00 C ATOM 1051 CG GLU A 67 0.087 16.512 -0.881 1.00 0.00 C ATOM 1052 CD GLU A 67 -0.993 17.559 -0.596 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -2.019 17.528 -1.313 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -0.795 18.380 0.328 1.00 0.00 O ATOM 0 H GLU A 67 2.233 17.062 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 67 1.431 18.924 -0.400 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.084 15.944 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.212 16.842 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.280 16.482 -1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.286 15.528 -0.596 1.00 0.00 H new ATOM 1061 N GLN A 68 4.523 18.326 -0.555 1.00 0.00 N ATOM 1062 CA GLN A 68 5.827 18.570 0.039 1.00 0.00 C ATOM 1063 C GLN A 68 6.508 19.778 -0.599 1.00 0.00 C ATOM 1064 O GLN A 68 7.366 20.401 0.026 1.00 0.00 O ATOM 1065 CB GLN A 68 6.693 17.322 -0.133 1.00 0.00 C ATOM 1066 CG GLN A 68 6.171 16.162 0.716 1.00 0.00 C ATOM 1067 CD GLN A 68 6.826 14.838 0.333 1.00 0.00 C ATOM 1068 OE1 GLN A 68 7.188 14.616 -0.821 1.00 0.00 O ATOM 1069 NE2 GLN A 68 6.983 13.946 1.306 1.00 0.00 N ATOM 0 H GLN A 68 4.552 18.186 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 68 5.697 18.788 1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.708 17.029 -1.183 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.721 17.548 0.150 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.360 16.369 1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.091 16.081 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.671 14.163 2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.416 13.044 1.106 1.00 0.00 H new ATOM 1078 N CYS A 69 6.142 20.118 -1.839 1.00 0.00 N ATOM 1079 CA CYS A 69 6.733 21.251 -2.533 1.00 0.00 C ATOM 1080 C CYS A 69 6.093 22.550 -2.040 1.00 0.00 C ATOM 1081 O CYS A 69 6.779 23.552 -1.862 1.00 0.00 O ATOM 1082 CB CYS A 69 6.482 21.081 -4.032 1.00 0.00 C ATOM 1083 SG CYS A 69 7.541 22.234 -4.944 1.00 0.00 S ATOM 0 H CYS A 69 5.436 19.618 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 69 7.804 21.296 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 69 6.694 20.056 -4.335 1.00 0.00 H new ATOM 0 HB3 CYS A 69 5.434 21.271 -4.262 1.00 0.00 H new ATOM 0 HG CYS A 69 7.336 22.095 -6.220 1.00 0.00 H new ATOM 1089 N GLN A 70 4.772 22.531 -1.817 1.00 0.00 N ATOM 1090 CA GLN A 70 4.047 23.719 -1.392 1.00 0.00 C ATOM 1091 C GLN A 70 4.326 24.061 0.066 1.00 0.00 C ATOM 1092 O GLN A 70 4.208 25.221 0.463 1.00 0.00 O ATOM 1093 CB GLN A 70 2.546 23.507 -1.577 1.00 0.00 C ATOM 1094 CG GLN A 70 2.198 23.397 -3.063 1.00 0.00 C ATOM 1095 CD GLN A 70 0.732 23.056 -3.284 1.00 0.00 C ATOM 1096 OE1 GLN A 70 -0.069 23.019 -2.350 1.00 0.00 O ATOM 1097 NE2 GLN A 70 0.362 22.800 -4.536 1.00 0.00 N ATOM 0 H GLN A 70 4.190 21.701 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 70 4.390 24.549 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.234 22.601 -1.057 1.00 0.00 H new ATOM 0 HB3 GLN A 70 1.998 24.336 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.429 24.339 -3.560 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.821 22.632 -3.525 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.049 22.839 -5.289 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.609 22.565 -4.743 1.00 0.00 H new ATOM 1106 N GLU A 71 4.697 23.069 0.879 1.00 0.00 N ATOM 1107 CA GLU A 71 4.979 23.306 2.281 1.00 0.00 C ATOM 1108 C GLU A 71 6.283 24.083 2.436 1.00 0.00 C ATOM 1109 O GLU A 71 6.421 24.879 3.360 1.00 0.00 O ATOM 1110 CB GLU A 71 5.038 21.972 3.027 1.00 0.00 C ATOM 1111 CG GLU A 71 3.720 21.203 2.940 1.00 0.00 C ATOM 1112 CD GLU A 71 2.558 21.918 3.634 1.00 0.00 C ATOM 1113 OE1 GLU A 71 1.410 21.460 3.438 1.00 0.00 O ATOM 1114 OE2 GLU A 71 2.810 22.909 4.356 1.00 0.00 O ATOM 0 H GLU A 71 4.807 22.099 0.583 1.00 0.00 H new ATOM 0 HA GLU A 71 4.180 23.908 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.841 21.362 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.282 22.153 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.467 21.046 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.851 20.218 3.388 1.00 0.00 H new ATOM 1121 N ALA A 72 7.242 23.862 1.527 1.00 0.00 N ATOM 1122 CA ALA A 72 8.487 24.613 1.524 1.00 0.00 C ATOM 1123 C ALA A 72 8.269 25.995 0.911 1.00 0.00 C ATOM 1124 O ALA A 72 8.916 26.961 1.306 1.00 0.00 O ATOM 1125 CB ALA A 72 9.524 23.826 0.732 1.00 0.00 C ATOM 0 H ALA A 72 7.171 23.165 0.785 1.00 0.00 H new ATOM 0 HA ALA A 72 8.841 24.755 2.545 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.466 24.375 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.677 22.853 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.172 23.686 -0.290 1.00 0.00 H new ATOM 1131 N ARG A 73 7.354 26.095 -0.061 1.00 0.00 N ATOM 1132 CA ARG A 73 7.041 27.357 -0.725 1.00 0.00 C ATOM 1133 C ARG A 73 6.416 28.347 0.250 1.00 0.00 C ATOM 1134 O ARG A 73 6.654 29.546 0.149 1.00 0.00 O ATOM 1135 CB ARG A 73 6.090 27.066 -1.892 1.00 0.00 C ATOM 1136 CG ARG A 73 5.425 28.324 -2.457 1.00 0.00 C ATOM 1137 CD ARG A 73 6.443 29.334 -2.981 1.00 0.00 C ATOM 1138 NE ARG A 73 5.776 30.448 -3.665 1.00 0.00 N ATOM 1139 CZ ARG A 73 5.014 31.372 -3.071 1.00 0.00 C ATOM 1140 NH1 ARG A 73 4.799 31.339 -1.758 1.00 0.00 N ATOM 1141 NH2 ARG A 73 4.458 32.338 -3.795 1.00 0.00 N ATOM 0 H ARG A 73 6.813 25.302 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 73 7.958 27.811 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.644 26.567 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.317 26.373 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.748 28.043 -3.263 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.819 28.792 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.040 29.716 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.130 28.840 -3.668 1.00 0.00 H new ATOM 0 HE ARG A 73 5.904 30.523 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.218 30.602 -1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.215 32.051 -1.319 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.613 32.374 -4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.876 33.044 -3.343 1.00 0.00 H new ATOM 1155 N ASN A 74 5.618 27.849 1.189 1.00 0.00 N ATOM 1156 CA ASN A 74 4.976 28.695 2.179 1.00 0.00 C ATOM 1157 C ASN A 74 5.825 28.854 3.441 1.00 0.00 C ATOM 1158 O ASN A 74 5.569 29.752 4.240 1.00 0.00 O ATOM 1159 CB ASN A 74 3.588 28.131 2.487 1.00 0.00 C ATOM 1160 CG ASN A 74 2.627 28.392 1.335 1.00 0.00 C ATOM 1161 OD1 ASN A 74 2.154 29.510 1.155 1.00 0.00 O ATOM 1162 ND2 ASN A 74 2.335 27.364 0.548 1.00 0.00 N ATOM 0 H ASN A 74 5.402 26.857 1.282 1.00 0.00 H new ATOM 0 HA ASN A 74 4.869 29.700 1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.659 27.059 2.670 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.201 28.585 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.697 27.489 -0.238 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.748 26.449 0.730 1.00 0.00 H new ATOM 1169 N ALA A 75 6.833 27.997 3.638 1.00 0.00 N ATOM 1170 CA ALA A 75 7.701 28.091 4.799 1.00 0.00 C ATOM 1171 C ALA A 75 8.826 29.101 4.580 1.00 0.00 C ATOM 1172 O ALA A 75 9.234 29.781 5.517 1.00 0.00 O ATOM 1173 CB ALA A 75 8.286 26.712 5.105 1.00 0.00 C ATOM 0 H ALA A 75 7.062 27.232 3.003 1.00 0.00 H new ATOM 0 HA ALA A 75 7.107 28.439 5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.938 26.779 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.477 26.011 5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.861 26.362 4.247 1.00 0.00 H new ATOM 1179 N VAL A 76 9.336 29.217 3.352 1.00 0.00 N ATOM 1180 CA VAL A 76 10.452 30.120 3.084 1.00 0.00 C ATOM 1181 C VAL A 76 9.934 31.554 2.996 1.00 0.00 C ATOM 1182 O VAL A 76 10.703 32.504 3.122 1.00 0.00 O ATOM 1183 CB VAL A 76 11.129 29.692 1.774 1.00 0.00 C ATOM 1184 CG1 VAL A 76 12.197 30.691 1.327 1.00 0.00 C ATOM 1185 CG2 VAL A 76 11.804 28.331 1.966 1.00 0.00 C ATOM 0 H VAL A 76 8.998 28.703 2.538 1.00 0.00 H new ATOM 0 HA VAL A 76 11.185 30.074 3.889 1.00 0.00 H new ATOM 0 HB VAL A 76 10.352 29.644 1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.649 30.348 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.739 31.667 1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.965 30.771 2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.284 28.028 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.554 28.405 2.754 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.055 27.590 2.246 1.00 0.00 H new ATOM 1195 N MET A 77 8.628 31.720 2.784 1.00 0.00 N ATOM 1196 CA MET A 77 8.031 33.032 2.581 1.00 0.00 C ATOM 1197 C MET A 77 7.480 33.641 3.867 1.00 0.00 C ATOM 1198 O MET A 77 6.939 34.747 3.833 1.00 0.00 O ATOM 1199 CB MET A 77 6.931 32.911 1.524 1.00 0.00 C ATOM 1200 CG MET A 77 7.543 32.395 0.223 1.00 0.00 C ATOM 1201 SD MET A 77 8.681 33.557 -0.571 1.00 0.00 S ATOM 1202 CE MET A 77 9.700 32.344 -1.440 1.00 0.00 C ATOM 0 H MET A 77 7.960 30.950 2.749 1.00 0.00 H new ATOM 0 HA MET A 77 8.813 33.711 2.241 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.152 32.231 1.868 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.459 33.880 1.359 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.074 31.465 0.428 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.740 32.156 -0.474 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.374 32.859 -2.125 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.284 31.774 -0.717 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.058 31.666 -2.003 1.00 0.00 H new ATOM 1212 N SER A 78 7.602 32.949 5.007 1.00 0.00 N ATOM 1213 CA SER A 78 7.079 33.474 6.260 1.00 0.00 C ATOM 1214 C SER A 78 7.785 32.903 7.490 1.00 0.00 C ATOM 1215 O SER A 78 7.978 33.620 8.471 1.00 0.00 O ATOM 1216 CB SER A 78 5.582 33.160 6.323 1.00 0.00 C ATOM 1217 OG SER A 78 5.046 33.584 7.556 1.00 0.00 O ATOM 0 H SER A 78 8.053 32.037 5.081 1.00 0.00 H new ATOM 0 HA SER A 78 7.258 34.549 6.277 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.064 33.657 5.503 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.422 32.089 6.198 1.00 0.00 H new ATOM 0 HG SER A 78 4.088 33.379 7.584 1.00 0.00 H new ATOM 1223 N LEU A 79 8.180 31.624 7.455 1.00 0.00 N ATOM 1224 CA LEU A 79 8.817 31.001 8.608 1.00 0.00 C ATOM 1225 C LEU A 79 10.321 31.248 8.607 1.00 0.00 C ATOM 1226 O LEU A 79 10.894 31.555 9.649 1.00 0.00 O ATOM 1227 CB LEU A 79 8.513 29.501 8.619 1.00 0.00 C ATOM 1228 CG LEU A 79 7.008 29.207 8.635 1.00 0.00 C ATOM 1229 CD1 LEU A 79 6.796 27.697 8.679 1.00 0.00 C ATOM 1230 CD2 LEU A 79 6.331 29.836 9.852 1.00 0.00 C ATOM 0 H LEU A 79 8.069 31.011 6.647 1.00 0.00 H new ATOM 0 HA LEU A 79 8.412 31.452 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.961 29.036 7.741 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.978 29.046 9.493 1.00 0.00 H new ATOM 0 HG LEU A 79 6.567 29.634 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.728 27.480 8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.250 27.240 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.259 27.291 9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.265 29.609 9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.772 29.432 10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.472 30.917 9.829 1.00 0.00 H new ATOM 1242 N MET A 80 10.960 31.114 7.441 1.00 0.00 N ATOM 1243 CA MET A 80 12.391 31.350 7.259 1.00 0.00 C ATOM 1244 C MET A 80 13.244 30.630 8.308 1.00 0.00 C ATOM 1245 O MET A 80 14.369 31.048 8.580 1.00 0.00 O ATOM 1246 CB MET A 80 12.671 32.856 7.217 1.00 0.00 C ATOM 1247 CG MET A 80 11.762 33.531 6.189 1.00 0.00 C ATOM 1248 SD MET A 80 12.119 35.285 5.900 1.00 0.00 S ATOM 1249 CE MET A 80 13.594 35.128 4.862 1.00 0.00 C ATOM 0 H MET A 80 10.486 30.833 6.583 1.00 0.00 H new ATOM 0 HA MET A 80 12.684 30.920 6.301 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.506 33.292 8.202 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.716 33.033 6.962 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.846 32.996 5.243 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.728 33.434 6.519 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.095 36.094 4.793 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.273 34.398 5.303 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.304 34.797 3.865 1.00 0.00 H new ATOM 1259 N GLN A 81 12.711 29.552 8.896 1.00 0.00 N ATOM 1260 CA GLN A 81 13.366 28.769 9.939 1.00 0.00 C ATOM 1261 C GLN A 81 13.820 29.632 11.128 1.00 0.00 C ATOM 1262 O GLN A 81 14.697 29.232 11.892 1.00 0.00 O ATOM 1263 CB GLN A 81 14.486 27.916 9.326 1.00 0.00 C ATOM 1264 CG GLN A 81 14.991 26.842 10.297 1.00 0.00 C ATOM 1265 CD GLN A 81 16.365 27.132 10.901 1.00 0.00 C ATOM 1266 OE1 GLN A 81 17.106 27.997 10.442 1.00 0.00 O ATOM 1267 NE2 GLN A 81 16.726 26.400 11.950 1.00 0.00 N ATOM 0 H GLN A 81 11.788 29.195 8.650 1.00 0.00 H new ATOM 0 HA GLN A 81 12.637 28.083 10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.121 27.439 8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.315 28.561 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 81 14.268 26.732 11.105 1.00 0.00 H new ATOM 0 HG3 GLN A 81 15.032 25.887 9.774 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.095 25.687 12.315 1.00 0.00 H new ATOM 0 HE22 GLN A 81 17.634 26.552 12.390 1.00 0.00 H new ATOM 1276 N SER A 82 13.229 30.820 11.297 1.00 0.00 N ATOM 1277 CA SER A 82 13.624 31.740 12.356 1.00 0.00 C ATOM 1278 C SER A 82 12.435 32.490 12.965 1.00 0.00 C ATOM 1279 O SER A 82 12.579 33.139 14.002 1.00 0.00 O ATOM 1280 CB SER A 82 14.653 32.711 11.777 1.00 0.00 C ATOM 1281 OG SER A 82 15.096 33.623 12.758 1.00 0.00 O ATOM 0 H SER A 82 12.471 31.164 10.707 1.00 0.00 H new ATOM 0 HA SER A 82 14.057 31.168 13.176 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.503 32.154 11.383 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.214 33.256 10.941 1.00 0.00 H new ATOM 0 HG SER A 82 14.454 33.644 13.499 1.00 0.00 H new ATOM 1287 N HIS A 83 11.252 32.412 12.344 1.00 0.00 N ATOM 1288 CA HIS A 83 10.054 33.062 12.858 1.00 0.00 C ATOM 1289 C HIS A 83 9.598 32.392 14.155 1.00 0.00 C ATOM 1290 O HIS A 83 9.960 31.247 14.426 1.00 0.00 O ATOM 1291 CB HIS A 83 8.959 33.004 11.794 1.00 0.00 C ATOM 1292 CG HIS A 83 7.776 33.879 12.110 1.00 0.00 C ATOM 1293 ND1 HIS A 83 7.780 35.260 12.190 1.00 0.00 N ATOM 1294 CD2 HIS A 83 6.492 33.452 12.333 1.00 0.00 C ATOM 1295 CE1 HIS A 83 6.526 35.662 12.463 1.00 0.00 C ATOM 1296 NE2 HIS A 83 5.727 34.583 12.556 1.00 0.00 N ATOM 0 H HIS A 83 11.105 31.898 11.476 1.00 0.00 H new ATOM 0 HA HIS A 83 10.272 34.105 13.086 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.378 33.305 10.834 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.621 31.973 11.686 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.145 32.429 12.334 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.210 36.687 12.588 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.727 34.597 12.757 1.00 0.00 H new ATOM 1305 N GLN A 84 8.802 33.104 14.955 1.00 0.00 N ATOM 1306 CA GLN A 84 8.298 32.584 16.225 1.00 0.00 C ATOM 1307 C GLN A 84 6.911 33.133 16.560 1.00 0.00 C ATOM 1308 O GLN A 84 6.175 32.522 17.337 1.00 0.00 O ATOM 1309 CB GLN A 84 9.320 32.920 17.320 1.00 0.00 C ATOM 1310 CG GLN A 84 8.849 32.449 18.699 1.00 0.00 C ATOM 1311 CD GLN A 84 9.945 32.560 19.755 1.00 0.00 C ATOM 1312 OE1 GLN A 84 11.060 32.998 19.476 1.00 0.00 O ATOM 1313 NE2 GLN A 84 9.638 32.163 20.985 1.00 0.00 N ATOM 0 H GLN A 84 8.491 34.052 14.742 1.00 0.00 H new ATOM 0 HA GLN A 84 8.178 31.503 16.151 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.275 32.452 17.082 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.489 33.997 17.342 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.988 33.042 19.008 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.515 31.413 18.632 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.705 31.804 21.187 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.335 32.217 21.727 1.00 0.00 H new ATOM 1322 N ASP A 85 6.533 34.282 15.989 1.00 0.00 N ATOM 1323 CA ASP A 85 5.226 34.878 16.211 1.00 0.00 C ATOM 1324 C ASP A 85 4.138 34.187 15.381 1.00 0.00 C ATOM 1325 O ASP A 85 3.552 34.787 14.481 1.00 0.00 O ATOM 1326 CB ASP A 85 5.294 36.394 15.992 1.00 0.00 C ATOM 1327 CG ASP A 85 3.933 37.079 16.106 1.00 0.00 C ATOM 1328 OD1 ASP A 85 3.035 36.510 16.766 1.00 0.00 O ATOM 1329 OD2 ASP A 85 3.803 38.180 15.523 1.00 0.00 O ATOM 0 H ASP A 85 7.130 34.819 15.361 1.00 0.00 H new ATOM 0 HA ASP A 85 4.936 34.719 17.250 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.976 36.830 16.722 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.713 36.594 15.006 1.00 0.00 H new ATOM 1334 N LYS A 86 3.876 32.913 15.686 1.00 0.00 N ATOM 1335 CA LYS A 86 2.866 32.115 15.002 1.00 0.00 C ATOM 1336 C LYS A 86 1.474 32.611 15.376 1.00 0.00 C ATOM 1337 O LYS A 86 1.138 32.554 16.580 1.00 0.00 O ATOM 1338 CB LYS A 86 3.093 30.642 15.354 1.00 0.00 C ATOM 1339 CG LYS A 86 2.240 29.670 14.532 1.00 0.00 C ATOM 1340 CD LYS A 86 0.777 29.631 14.976 1.00 0.00 C ATOM 1341 CE LYS A 86 0.061 28.501 14.244 1.00 0.00 C ATOM 1342 NZ LYS A 86 -1.361 28.429 14.632 1.00 0.00 N ATOM 0 H LYS A 86 4.366 32.406 16.423 1.00 0.00 H new ATOM 0 HA LYS A 86 2.949 32.217 13.920 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.146 30.401 15.206 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.878 30.494 16.412 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.287 29.955 13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.664 28.669 14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.715 29.479 16.054 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.294 30.584 14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.139 28.655 13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.550 27.553 14.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.822 27.651 14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.433 28.259 15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.831 29.326 14.396 1.00 0.00 H new TER 1356 LYS A 86