USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 518 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 11 LYS NZ :NH3+ -163:sc= 0.371 (180deg=-0.241) USER MOD Set 1.2: A 30 GLN : amide:sc= 0.0928 K(o=0.46,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.26 (180deg=0.593) USER MOD Single : A 2 ASN : amide:sc= -0.26 K(o=-0.26,f=-0.8!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.802 K(o=-0.8,f=-0.051) USER MOD Single : A 14 THR OG1 : rot -98:sc= 0.0796 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00236) USER MOD Single : A 25 THR OG1 : rot -75:sc= 1.14 USER MOD Single : A 35 HIS : no HD1:sc= -5.03! C(o=-5!,f=-5.1!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -135:sc= 0.626 (180deg=-0.595) USER MOD Single : A 44 GLN : amide:sc= -0.759 K(o=-0.76,f=-0.077) USER MOD Single : A 47 TYR OH : rot 66:sc= -0.318 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.35! K(o=-1.4!,f=-0.0026) USER MOD Single : A 62 SER OG : rot 70:sc= 0.196 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.692 13.339 -6.733 1.00 0.00 N ATOM 2 CA MET A 1 15.426 12.764 -5.582 1.00 0.00 C ATOM 3 C MET A 1 14.535 11.803 -4.798 1.00 0.00 C ATOM 4 O MET A 1 14.681 11.660 -3.583 1.00 0.00 O ATOM 5 CB MET A 1 15.925 13.873 -4.648 1.00 0.00 C ATOM 6 CG MET A 1 16.983 14.780 -5.260 1.00 0.00 C ATOM 7 SD MET A 1 16.345 15.809 -6.598 1.00 0.00 S ATOM 8 CE MET A 1 17.797 16.785 -6.990 1.00 0.00 C ATOM 0 H1 MET A 1 15.134 14.238 -7.012 1.00 0.00 H new ATOM 0 H2 MET A 1 14.724 12.675 -7.532 1.00 0.00 H new ATOM 0 H3 MET A 1 13.702 13.509 -6.464 1.00 0.00 H new ATOM 0 HA MET A 1 16.283 12.216 -5.975 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.075 14.482 -4.340 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.333 13.416 -3.746 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.397 15.421 -4.482 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.802 14.169 -5.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.564 17.473 -7.802 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.103 17.352 -6.111 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.608 16.124 -7.296 1.00 0.00 H new ATOM 18 N ASN A 2 13.617 11.138 -5.491 1.00 0.00 N ATOM 19 CA ASN A 2 12.740 10.169 -4.853 1.00 0.00 C ATOM 20 C ASN A 2 12.434 9.011 -5.794 1.00 0.00 C ATOM 21 O ASN A 2 12.485 9.153 -7.016 1.00 0.00 O ATOM 22 CB ASN A 2 11.435 10.829 -4.362 1.00 0.00 C ATOM 23 CG ASN A 2 10.644 11.562 -5.447 1.00 0.00 C ATOM 24 OD1 ASN A 2 10.696 11.224 -6.631 1.00 0.00 O ATOM 25 ND2 ASN A 2 9.887 12.571 -5.039 1.00 0.00 N ATOM 0 H ASN A 2 13.463 11.253 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 2 13.264 9.775 -3.982 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.798 10.061 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.677 11.535 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 2 9.326 13.092 -5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 2 9.866 12.826 -4.052 1.00 0.00 H new ATOM 32 N SER A 3 12.156 7.859 -5.209 1.00 0.00 N ATOM 33 CA SER A 3 11.756 6.687 -5.968 1.00 0.00 C ATOM 34 C SER A 3 10.289 6.387 -5.697 1.00 0.00 C ATOM 35 O SER A 3 9.590 5.810 -6.532 1.00 0.00 O ATOM 36 CB SER A 3 12.618 5.485 -5.580 1.00 0.00 C ATOM 37 OG SER A 3 13.997 5.776 -5.737 1.00 0.00 O ATOM 0 H SER A 3 12.201 7.710 -4.201 1.00 0.00 H new ATOM 0 HA SER A 3 11.895 6.883 -7.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.417 5.208 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.351 4.627 -6.197 1.00 0.00 H new ATOM 0 HG SER A 3 14.528 4.993 -5.481 1.00 0.00 H new ATOM 43 N ASP A 4 9.831 6.798 -4.520 1.00 0.00 N ATOM 44 CA ASP A 4 8.445 6.606 -4.125 1.00 0.00 C ATOM 45 C ASP A 4 7.526 7.570 -4.855 1.00 0.00 C ATOM 46 O ASP A 4 7.754 8.783 -4.872 1.00 0.00 O ATOM 47 CB ASP A 4 8.277 6.787 -2.616 1.00 0.00 C ATOM 48 CG ASP A 4 6.827 7.010 -2.231 1.00 0.00 C ATOM 49 OD1 ASP A 4 6.004 6.094 -2.428 1.00 0.00 O ATOM 50 OD2 ASP A 4 6.506 8.109 -1.731 1.00 0.00 O ATOM 0 H ASP A 4 10.405 7.269 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 4 8.170 5.586 -4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.658 5.906 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.876 7.635 -2.283 1.00 0.00 H new ATOM 55 N VAL A 5 6.500 7.018 -5.470 1.00 0.00 N ATOM 56 CA VAL A 5 5.462 7.811 -6.099 1.00 0.00 C ATOM 57 C VAL A 5 4.103 7.423 -5.522 1.00 0.00 C ATOM 58 O VAL A 5 3.144 8.188 -5.583 1.00 0.00 O ATOM 59 CB VAL A 5 5.448 7.599 -7.633 1.00 0.00 C ATOM 60 CG1 VAL A 5 4.459 8.537 -8.307 1.00 0.00 C ATOM 61 CG2 VAL A 5 6.843 7.783 -8.217 1.00 0.00 C ATOM 0 H VAL A 5 6.362 6.010 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 5 5.668 8.863 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 5 5.127 6.575 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.471 8.366 -9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.457 8.349 -7.920 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.739 9.570 -8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.809 7.629 -9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.196 8.792 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.524 7.059 -7.769 1.00 0.00 H new ATOM 71 N ILE A 6 4.060 6.256 -4.889 1.00 0.00 N ATOM 72 CA ILE A 6 2.798 5.616 -4.537 1.00 0.00 C ATOM 73 C ILE A 6 2.291 6.068 -3.164 1.00 0.00 C ATOM 74 O ILE A 6 1.198 5.692 -2.738 1.00 0.00 O ATOM 75 CB ILE A 6 2.940 4.076 -4.569 1.00 0.00 C ATOM 76 CG1 ILE A 6 3.765 3.648 -5.789 1.00 0.00 C ATOM 77 CG2 ILE A 6 1.567 3.420 -4.620 1.00 0.00 C ATOM 78 CD1 ILE A 6 4.050 2.163 -5.851 1.00 0.00 C ATOM 0 H ILE A 6 4.889 5.732 -4.608 1.00 0.00 H new ATOM 0 HA ILE A 6 2.063 5.923 -5.281 1.00 0.00 H new ATOM 0 HB ILE A 6 3.452 3.755 -3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.235 3.944 -6.695 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.711 4.189 -5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.682 2.336 -4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.994 3.706 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.040 3.747 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.637 1.942 -6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.609 1.862 -4.965 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.110 1.613 -5.891 1.00 0.00 H new ATOM 90 N LYS A 7 3.077 6.877 -2.463 1.00 0.00 N ATOM 91 CA LYS A 7 2.610 7.470 -1.214 1.00 0.00 C ATOM 92 C LYS A 7 1.613 8.591 -1.521 1.00 0.00 C ATOM 93 O LYS A 7 0.984 9.162 -0.625 1.00 0.00 O ATOM 94 CB LYS A 7 3.792 7.985 -0.378 1.00 0.00 C ATOM 95 CG LYS A 7 3.391 8.501 0.997 1.00 0.00 C ATOM 96 CD LYS A 7 4.589 8.740 1.910 1.00 0.00 C ATOM 97 CE LYS A 7 5.545 9.791 1.361 1.00 0.00 C ATOM 98 NZ LYS A 7 6.693 9.184 0.638 1.00 0.00 N ATOM 0 H LYS A 7 4.026 7.135 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 7 2.104 6.707 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.518 7.181 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.291 8.785 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.835 9.432 0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.719 7.784 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.235 9.054 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.127 7.802 2.050 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.004 10.455 0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.918 10.404 2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.316 9.937 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.226 8.570 1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.341 8.620 -0.161 1.00 0.00 H new ATOM 112 N GLY A 8 1.460 8.877 -2.804 1.00 0.00 N ATOM 113 CA GLY A 8 0.487 9.843 -3.258 1.00 0.00 C ATOM 114 C GLY A 8 -0.123 9.409 -4.573 1.00 0.00 C ATOM 115 O GLY A 8 0.355 8.452 -5.183 1.00 0.00 O ATOM 0 H GLY A 8 2.005 8.447 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.296 9.958 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 8 0.962 10.817 -3.375 1.00 0.00 H new ATOM 119 N LYS A 9 -1.182 10.094 -4.996 1.00 0.00 N ATOM 120 CA LYS A 9 -1.852 9.805 -6.268 1.00 0.00 C ATOM 121 C LYS A 9 -2.457 8.402 -6.270 1.00 0.00 C ATOM 122 O LYS A 9 -2.735 7.844 -7.327 1.00 0.00 O ATOM 123 CB LYS A 9 -0.867 9.954 -7.433 1.00 0.00 C ATOM 124 CG LYS A 9 -0.270 11.346 -7.543 1.00 0.00 C ATOM 125 CD LYS A 9 0.932 11.364 -8.469 1.00 0.00 C ATOM 126 CE LYS A 9 1.545 12.752 -8.545 1.00 0.00 C ATOM 127 NZ LYS A 9 2.848 12.745 -9.258 1.00 0.00 N ATOM 0 H LYS A 9 -1.601 10.862 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.662 10.524 -6.390 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.061 9.230 -7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.378 9.711 -8.365 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.026 12.039 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.026 11.695 -6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.678 10.653 -8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.632 11.041 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.856 13.425 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.685 13.142 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.233 13.711 -9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.514 12.122 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.711 12.397 -10.228 1.00 0.00 H new ATOM 141 N TRP A 10 -2.693 7.864 -5.077 1.00 0.00 N ATOM 142 CA TRP A 10 -3.205 6.504 -4.909 1.00 0.00 C ATOM 143 C TRP A 10 -4.492 6.284 -5.701 1.00 0.00 C ATOM 144 O TRP A 10 -4.625 5.295 -6.421 1.00 0.00 O ATOM 145 CB TRP A 10 -3.433 6.216 -3.417 1.00 0.00 C ATOM 146 CG TRP A 10 -4.176 4.940 -3.140 1.00 0.00 C ATOM 147 CD1 TRP A 10 -5.420 4.823 -2.590 1.00 0.00 C ATOM 148 CD2 TRP A 10 -3.727 3.602 -3.394 1.00 0.00 C ATOM 149 NE1 TRP A 10 -5.772 3.503 -2.490 1.00 0.00 N ATOM 150 CE2 TRP A 10 -4.752 2.733 -2.978 1.00 0.00 C ATOM 151 CE3 TRP A 10 -2.562 3.052 -3.935 1.00 0.00 C ATOM 152 CZ2 TRP A 10 -4.650 1.350 -3.084 1.00 0.00 C ATOM 153 CZ3 TRP A 10 -2.462 1.676 -4.040 1.00 0.00 C ATOM 154 CH2 TRP A 10 -3.500 0.839 -3.615 1.00 0.00 C ATOM 0 H TRP A 10 -2.535 8.357 -4.198 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.461 5.810 -5.301 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -2.466 6.176 -2.915 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.986 7.047 -2.979 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.038 5.652 -2.278 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.652 3.151 -2.113 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.755 3.689 -4.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -5.451 0.703 -2.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.567 1.240 -4.458 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.390 -0.231 -3.709 1.00 0.00 H new ATOM 165 N LYS A 11 -5.423 7.223 -5.595 1.00 0.00 N ATOM 166 CA LYS A 11 -6.716 7.087 -6.251 1.00 0.00 C ATOM 167 C LYS A 11 -6.601 7.389 -7.742 1.00 0.00 C ATOM 168 O LYS A 11 -7.512 7.106 -8.518 1.00 0.00 O ATOM 169 CB LYS A 11 -7.742 8.023 -5.605 1.00 0.00 C ATOM 170 CG LYS A 11 -7.917 7.811 -4.110 1.00 0.00 C ATOM 171 CD LYS A 11 -8.394 6.404 -3.792 1.00 0.00 C ATOM 172 CE LYS A 11 -8.623 6.216 -2.301 1.00 0.00 C ATOM 173 NZ LYS A 11 -9.700 7.103 -1.782 1.00 0.00 N ATOM 0 H LYS A 11 -5.307 8.085 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.051 6.057 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.439 9.055 -5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.705 7.884 -6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.970 7.997 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.634 8.534 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.319 6.202 -4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.657 5.681 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.884 5.176 -2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.696 6.420 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.633 7.161 -0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.593 8.054 -2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.628 6.715 -2.048 1.00 0.00 H new ATOM 187 N GLN A 12 -5.474 7.966 -8.136 1.00 0.00 N ATOM 188 CA GLN A 12 -5.256 8.340 -9.526 1.00 0.00 C ATOM 189 C GLN A 12 -4.421 7.284 -10.241 1.00 0.00 C ATOM 190 O GLN A 12 -4.321 7.282 -11.470 1.00 0.00 O ATOM 191 CB GLN A 12 -4.570 9.705 -9.600 1.00 0.00 C ATOM 192 CG GLN A 12 -5.291 10.785 -8.807 1.00 0.00 C ATOM 193 CD GLN A 12 -6.729 10.984 -9.250 1.00 0.00 C ATOM 194 OE1 GLN A 12 -7.599 11.306 -8.442 1.00 0.00 O ATOM 195 NE2 GLN A 12 -6.989 10.821 -10.536 1.00 0.00 N ATOM 0 H GLN A 12 -4.697 8.185 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.223 8.405 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.549 9.612 -9.229 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.503 10.014 -10.643 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.275 10.523 -7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.751 11.726 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.242 10.554 -11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.936 10.963 -10.887 1.00 0.00 H new ATOM 204 N LEU A 13 -3.831 6.383 -9.467 1.00 0.00 N ATOM 205 CA LEU A 13 -2.975 5.336 -10.013 1.00 0.00 C ATOM 206 C LEU A 13 -3.681 3.984 -9.976 1.00 0.00 C ATOM 207 O LEU A 13 -3.084 2.953 -10.288 1.00 0.00 O ATOM 208 CB LEU A 13 -1.661 5.264 -9.227 1.00 0.00 C ATOM 209 CG LEU A 13 -0.779 6.512 -9.326 1.00 0.00 C ATOM 210 CD1 LEU A 13 0.398 6.412 -8.370 1.00 0.00 C ATOM 211 CD2 LEU A 13 -0.290 6.708 -10.754 1.00 0.00 C ATOM 0 H LEU A 13 -3.930 6.356 -8.452 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.756 5.581 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.892 5.083 -8.177 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.090 4.405 -9.580 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.378 7.378 -9.044 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.013 7.308 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.030 6.320 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.997 5.536 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.335 7.599 -10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.291 5.839 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.146 6.826 -11.419 1.00 0.00 H new ATOM 223 N THR A 14 -4.960 4.005 -9.622 1.00 0.00 N ATOM 224 CA THR A 14 -5.757 2.790 -9.499 1.00 0.00 C ATOM 225 C THR A 14 -5.764 1.989 -10.799 1.00 0.00 C ATOM 226 O THR A 14 -5.442 0.800 -10.809 1.00 0.00 O ATOM 227 CB THR A 14 -7.202 3.134 -9.096 1.00 0.00 C ATOM 228 OG1 THR A 14 -7.688 4.205 -9.915 1.00 0.00 O ATOM 229 CG2 THR A 14 -7.277 3.537 -7.632 1.00 0.00 C ATOM 0 H THR A 14 -5.473 4.861 -9.413 1.00 0.00 H new ATOM 0 HA THR A 14 -5.300 2.177 -8.723 1.00 0.00 H new ATOM 0 HB THR A 14 -7.820 2.248 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.606 5.052 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.309 3.775 -7.373 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.927 2.713 -7.010 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.649 4.412 -7.463 1.00 0.00 H new ATOM 237 N GLY A 15 -6.110 2.654 -11.896 1.00 0.00 N ATOM 238 CA GLY A 15 -6.166 1.993 -13.188 1.00 0.00 C ATOM 239 C GLY A 15 -4.811 1.483 -13.637 1.00 0.00 C ATOM 240 O GLY A 15 -4.717 0.430 -14.267 1.00 0.00 O ATOM 0 H GLY A 15 -6.354 3.644 -11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.866 1.159 -13.136 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.554 2.689 -13.932 1.00 0.00 H new ATOM 244 N LYS A 16 -3.762 2.229 -13.307 1.00 0.00 N ATOM 245 CA LYS A 16 -2.401 1.843 -13.668 1.00 0.00 C ATOM 246 C LYS A 16 -2.010 0.558 -12.945 1.00 0.00 C ATOM 247 O LYS A 16 -1.408 -0.341 -13.531 1.00 0.00 O ATOM 248 CB LYS A 16 -1.404 2.955 -13.314 1.00 0.00 C ATOM 249 CG LYS A 16 -1.825 4.342 -13.778 1.00 0.00 C ATOM 250 CD LYS A 16 -2.128 4.380 -15.267 1.00 0.00 C ATOM 251 CE LYS A 16 -2.635 5.748 -15.689 1.00 0.00 C ATOM 252 NZ LYS A 16 -3.129 5.749 -17.089 1.00 0.00 N ATOM 0 H LYS A 16 -3.828 3.106 -12.790 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.371 1.677 -14.745 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.265 2.972 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.437 2.714 -13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.707 4.658 -13.221 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.033 5.055 -13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.228 4.133 -15.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.873 3.622 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.438 6.059 -15.021 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.833 6.479 -15.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.466 6.701 -17.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.357 5.477 -17.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.911 5.070 -17.182 1.00 0.00 H new ATOM 266 N ILE A 17 -2.372 0.477 -11.672 1.00 0.00 N ATOM 267 CA ILE A 17 -2.067 -0.689 -10.860 1.00 0.00 C ATOM 268 C ILE A 17 -2.902 -1.891 -11.294 1.00 0.00 C ATOM 269 O ILE A 17 -2.377 -2.993 -11.464 1.00 0.00 O ATOM 270 CB ILE A 17 -2.311 -0.403 -9.363 1.00 0.00 C ATOM 271 CG1 ILE A 17 -1.365 0.692 -8.866 1.00 0.00 C ATOM 272 CG2 ILE A 17 -2.112 -1.665 -8.552 1.00 0.00 C ATOM 273 CD1 ILE A 17 -1.660 1.161 -7.458 1.00 0.00 C ATOM 0 H ILE A 17 -2.880 1.211 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.012 -0.920 -11.006 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.338 -0.060 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.341 0.321 -8.908 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.424 1.544 -9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.287 -1.451 -7.498 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.814 -2.428 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.092 -2.026 -8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.948 1.937 -7.176 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.672 1.563 -7.413 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.573 0.321 -6.769 1.00 0.00 H new ATOM 285 N LYS A 18 -4.195 -1.663 -11.492 1.00 0.00 N ATOM 286 CA LYS A 18 -5.122 -2.718 -11.895 1.00 0.00 C ATOM 287 C LYS A 18 -4.753 -3.274 -13.274 1.00 0.00 C ATOM 288 O LYS A 18 -5.097 -4.410 -13.613 1.00 0.00 O ATOM 289 CB LYS A 18 -6.551 -2.168 -11.908 1.00 0.00 C ATOM 290 CG LYS A 18 -7.627 -3.215 -11.659 1.00 0.00 C ATOM 291 CD LYS A 18 -8.990 -2.562 -11.478 1.00 0.00 C ATOM 292 CE LYS A 18 -10.047 -3.553 -11.010 1.00 0.00 C ATOM 293 NZ LYS A 18 -10.286 -4.636 -12.001 1.00 0.00 N ATOM 0 H LYS A 18 -4.630 -0.747 -11.379 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.056 -3.534 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.635 -1.390 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.737 -1.695 -12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.662 -3.912 -12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.377 -3.795 -10.771 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.909 -1.751 -10.754 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.305 -2.116 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.735 -3.993 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.981 -3.023 -10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.025 -5.275 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.593 -4.220 -12.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.407 -5.172 -12.149 1.00 0.00 H new ATOM 307 N GLU A 19 -4.059 -2.460 -14.065 1.00 0.00 N ATOM 308 CA GLU A 19 -3.548 -2.891 -15.363 1.00 0.00 C ATOM 309 C GLU A 19 -2.488 -3.978 -15.181 1.00 0.00 C ATOM 310 O GLU A 19 -2.417 -4.935 -15.955 1.00 0.00 O ATOM 311 CB GLU A 19 -2.952 -1.697 -16.121 1.00 0.00 C ATOM 312 CG GLU A 19 -2.352 -2.051 -17.475 1.00 0.00 C ATOM 313 CD GLU A 19 -3.378 -2.580 -18.455 1.00 0.00 C ATOM 314 OE1 GLU A 19 -4.042 -1.764 -19.128 1.00 0.00 O ATOM 315 OE2 GLU A 19 -3.526 -3.815 -18.566 1.00 0.00 O ATOM 0 H GLU A 19 -3.837 -1.493 -13.828 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.374 -3.300 -15.944 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.731 -0.948 -16.266 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.180 -1.238 -15.503 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.876 -1.167 -17.898 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.571 -2.798 -17.336 1.00 0.00 H new ATOM 322 N ARG A 20 -1.674 -3.833 -14.144 1.00 0.00 N ATOM 323 CA ARG A 20 -0.625 -4.798 -13.868 1.00 0.00 C ATOM 324 C ARG A 20 -1.170 -5.972 -13.065 1.00 0.00 C ATOM 325 O ARG A 20 -1.050 -7.128 -13.474 1.00 0.00 O ATOM 326 CB ARG A 20 0.527 -4.143 -13.105 1.00 0.00 C ATOM 327 CG ARG A 20 1.703 -5.080 -12.889 1.00 0.00 C ATOM 328 CD ARG A 20 2.888 -4.373 -12.259 1.00 0.00 C ATOM 329 NE ARG A 20 3.976 -5.305 -11.962 1.00 0.00 N ATOM 330 CZ ARG A 20 5.268 -5.021 -12.103 1.00 0.00 C ATOM 331 NH1 ARG A 20 5.648 -3.843 -12.582 1.00 0.00 N ATOM 332 NH2 ARG A 20 6.189 -5.923 -11.778 1.00 0.00 N ATOM 0 H ARG A 20 -1.722 -3.058 -13.483 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.251 -5.166 -14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.866 -3.264 -13.653 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.164 -3.795 -12.138 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.394 -5.908 -12.251 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.004 -5.510 -13.845 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.248 -3.595 -12.932 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.571 -3.878 -11.341 1.00 0.00 H new ATOM 0 HE ARG A 20 3.727 -6.235 -11.624 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.948 -3.149 -12.844 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.640 -3.631 -12.688 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.906 -6.835 -11.420 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.179 -5.703 -11.887 1.00 0.00 H new ATOM 346 N TRP A 21 -1.780 -5.668 -11.933 1.00 0.00 N ATOM 347 CA TRP A 21 -2.265 -6.697 -11.032 1.00 0.00 C ATOM 348 C TRP A 21 -3.785 -6.774 -11.073 1.00 0.00 C ATOM 349 O TRP A 21 -4.478 -5.893 -10.569 1.00 0.00 O ATOM 350 CB TRP A 21 -1.773 -6.425 -9.606 1.00 0.00 C ATOM 351 CG TRP A 21 -0.279 -6.338 -9.507 1.00 0.00 C ATOM 352 CD1 TRP A 21 0.625 -7.258 -9.953 1.00 0.00 C ATOM 353 CD2 TRP A 21 0.483 -5.279 -8.923 1.00 0.00 C ATOM 354 NE1 TRP A 21 1.903 -6.830 -9.688 1.00 0.00 N ATOM 355 CE2 TRP A 21 1.842 -5.616 -9.053 1.00 0.00 C ATOM 356 CE3 TRP A 21 0.146 -4.076 -8.302 1.00 0.00 C ATOM 357 CZ2 TRP A 21 2.863 -4.789 -8.585 1.00 0.00 C ATOM 358 CZ3 TRP A 21 1.155 -3.254 -7.838 1.00 0.00 C ATOM 359 CH2 TRP A 21 2.502 -3.614 -7.983 1.00 0.00 C ATOM 0 H TRP A 21 -1.951 -4.714 -11.616 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.870 -7.659 -11.357 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -2.210 -5.493 -9.249 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.130 -7.217 -8.947 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.372 -8.187 -10.443 1.00 0.00 H new ATOM 0 HE1 TRP A 21 2.758 -7.333 -9.925 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.889 -3.791 -8.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.901 -5.066 -8.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.902 -2.321 -7.357 1.00 0.00 H new ATOM 0 HH2 TRP A 21 3.270 -2.951 -7.612 1.00 0.00 H new ATOM 370 N GLY A 22 -4.296 -7.839 -11.676 1.00 0.00 N ATOM 371 CA GLY A 22 -5.729 -7.993 -11.824 1.00 0.00 C ATOM 372 C GLY A 22 -6.378 -8.594 -10.594 1.00 0.00 C ATOM 373 O GLY A 22 -7.602 -8.661 -10.499 1.00 0.00 O ATOM 0 H GLY A 22 -3.741 -8.601 -12.066 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.177 -7.020 -12.028 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.936 -8.627 -12.686 1.00 0.00 H new ATOM 377 N ASP A 23 -5.558 -9.033 -9.649 1.00 0.00 N ATOM 378 CA ASP A 23 -6.060 -9.621 -8.411 1.00 0.00 C ATOM 379 C ASP A 23 -6.398 -8.535 -7.400 1.00 0.00 C ATOM 380 O ASP A 23 -6.943 -8.810 -6.330 1.00 0.00 O ATOM 381 CB ASP A 23 -5.039 -10.594 -7.816 1.00 0.00 C ATOM 382 CG ASP A 23 -4.904 -11.867 -8.623 1.00 0.00 C ATOM 383 OD1 ASP A 23 -4.301 -11.828 -9.717 1.00 0.00 O ATOM 384 OD2 ASP A 23 -5.392 -12.921 -8.167 1.00 0.00 O ATOM 0 H ASP A 23 -4.541 -8.994 -9.715 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.969 -10.175 -8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.068 -10.103 -7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.334 -10.845 -6.797 1.00 0.00 H new ATOM 389 N LEU A 24 -6.060 -7.301 -7.745 1.00 0.00 N ATOM 390 CA LEU A 24 -6.408 -6.158 -6.921 1.00 0.00 C ATOM 391 C LEU A 24 -7.719 -5.561 -7.406 1.00 0.00 C ATOM 392 O LEU A 24 -7.805 -5.034 -8.518 1.00 0.00 O ATOM 393 CB LEU A 24 -5.293 -5.107 -6.950 1.00 0.00 C ATOM 394 CG LEU A 24 -3.960 -5.569 -6.353 1.00 0.00 C ATOM 395 CD1 LEU A 24 -2.927 -4.456 -6.425 1.00 0.00 C ATOM 396 CD2 LEU A 24 -4.146 -6.027 -4.913 1.00 0.00 C ATOM 0 H LEU A 24 -5.544 -7.068 -8.593 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.527 -6.489 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.126 -4.803 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.631 -4.224 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.599 -6.414 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.987 -4.804 -5.996 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.768 -4.174 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.284 -3.592 -5.865 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.188 -6.351 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.532 -5.201 -4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.852 -6.857 -4.884 1.00 0.00 H new ATOM 408 N THR A 25 -8.743 -5.670 -6.579 1.00 0.00 N ATOM 409 CA THR A 25 -10.072 -5.217 -6.946 1.00 0.00 C ATOM 410 C THR A 25 -10.213 -3.711 -6.756 1.00 0.00 C ATOM 411 O THR A 25 -9.286 -3.039 -6.295 1.00 0.00 O ATOM 412 CB THR A 25 -11.153 -5.938 -6.117 1.00 0.00 C ATOM 413 OG1 THR A 25 -10.925 -5.729 -4.715 1.00 0.00 O ATOM 414 CG2 THR A 25 -11.163 -7.430 -6.418 1.00 0.00 C ATOM 0 H THR A 25 -8.678 -6.071 -5.643 1.00 0.00 H new ATOM 0 HA THR A 25 -10.212 -5.456 -8.000 1.00 0.00 H new ATOM 0 HB THR A 25 -12.122 -5.521 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.177 -6.288 -4.418 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.934 -7.917 -5.821 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.371 -7.586 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.191 -7.857 -6.173 1.00 0.00 H new ATOM 422 N ASP A 26 -11.380 -3.186 -7.113 1.00 0.00 N ATOM 423 CA ASP A 26 -11.680 -1.773 -6.923 1.00 0.00 C ATOM 424 C ASP A 26 -11.571 -1.404 -5.449 1.00 0.00 C ATOM 425 O ASP A 26 -11.093 -0.323 -5.102 1.00 0.00 O ATOM 426 CB ASP A 26 -13.082 -1.449 -7.445 1.00 0.00 C ATOM 427 CG ASP A 26 -13.479 -0.007 -7.199 1.00 0.00 C ATOM 428 OD1 ASP A 26 -12.944 0.890 -7.885 1.00 0.00 O ATOM 429 OD2 ASP A 26 -14.336 0.236 -6.324 1.00 0.00 O ATOM 0 H ASP A 26 -12.137 -3.722 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.954 -1.187 -7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.124 -1.656 -8.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.805 -2.108 -6.965 1.00 0.00 H new ATOM 434 N ASP A 27 -11.996 -2.321 -4.587 1.00 0.00 N ATOM 435 CA ASP A 27 -11.915 -2.123 -3.144 1.00 0.00 C ATOM 436 C ASP A 27 -10.466 -2.119 -2.676 1.00 0.00 C ATOM 437 O ASP A 27 -10.084 -1.313 -1.832 1.00 0.00 O ATOM 438 CB ASP A 27 -12.698 -3.207 -2.400 1.00 0.00 C ATOM 439 CG ASP A 27 -14.186 -2.922 -2.345 1.00 0.00 C ATOM 440 OD1 ASP A 27 -14.862 -3.041 -3.387 1.00 0.00 O ATOM 441 OD2 ASP A 27 -14.688 -2.573 -1.253 1.00 0.00 O ATOM 0 H ASP A 27 -12.403 -3.214 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.358 -1.153 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.534 -4.167 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -12.312 -3.296 -1.385 1.00 0.00 H new ATOM 446 N ASP A 28 -9.660 -3.013 -3.240 1.00 0.00 N ATOM 447 CA ASP A 28 -8.240 -3.093 -2.892 1.00 0.00 C ATOM 448 C ASP A 28 -7.532 -1.792 -3.215 1.00 0.00 C ATOM 449 O ASP A 28 -6.658 -1.348 -2.471 1.00 0.00 O ATOM 450 CB ASP A 28 -7.539 -4.226 -3.647 1.00 0.00 C ATOM 451 CG ASP A 28 -7.932 -5.600 -3.158 1.00 0.00 C ATOM 452 OD1 ASP A 28 -7.596 -5.940 -2.007 1.00 0.00 O ATOM 453 OD2 ASP A 28 -8.563 -6.348 -3.929 1.00 0.00 O ATOM 0 H ASP A 28 -9.962 -3.692 -3.939 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.189 -3.289 -1.821 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.772 -4.145 -4.709 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.460 -4.107 -3.548 1.00 0.00 H new ATOM 458 N LEU A 29 -7.918 -1.190 -4.328 1.00 0.00 N ATOM 459 CA LEU A 29 -7.278 0.023 -4.810 1.00 0.00 C ATOM 460 C LEU A 29 -7.993 1.269 -4.298 1.00 0.00 C ATOM 461 O LEU A 29 -7.604 2.392 -4.605 1.00 0.00 O ATOM 462 CB LEU A 29 -7.245 0.013 -6.336 1.00 0.00 C ATOM 463 CG LEU A 29 -6.539 -1.198 -6.948 1.00 0.00 C ATOM 464 CD1 LEU A 29 -6.649 -1.172 -8.460 1.00 0.00 C ATOM 465 CD2 LEU A 29 -5.081 -1.242 -6.516 1.00 0.00 C ATOM 0 H LEU A 29 -8.678 -1.525 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.258 0.051 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.269 0.048 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.749 0.920 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.030 -2.101 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.141 -2.041 -8.877 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.700 -1.193 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.186 -0.263 -8.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.596 -2.110 -6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.576 -0.334 -6.847 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.025 -1.313 -5.430 1.00 0.00 H new ATOM 477 N GLN A 30 -9.045 1.064 -3.524 1.00 0.00 N ATOM 478 CA GLN A 30 -9.745 2.170 -2.888 1.00 0.00 C ATOM 479 C GLN A 30 -9.325 2.266 -1.429 1.00 0.00 C ATOM 480 O GLN A 30 -9.029 3.347 -0.919 1.00 0.00 O ATOM 481 CB GLN A 30 -11.263 1.977 -2.993 1.00 0.00 C ATOM 482 CG GLN A 30 -12.080 3.110 -2.387 1.00 0.00 C ATOM 483 CD GLN A 30 -11.864 4.449 -3.072 1.00 0.00 C ATOM 484 OE1 GLN A 30 -11.955 5.499 -2.440 1.00 0.00 O ATOM 485 NE2 GLN A 30 -11.594 4.432 -4.368 1.00 0.00 N ATOM 0 H GLN A 30 -9.434 0.143 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.483 3.097 -3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.533 1.871 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.534 1.044 -2.499 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -13.138 2.852 -2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -11.826 3.206 -1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -11.525 3.543 -4.863 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -11.455 5.308 -4.871 1.00 0.00 H new ATOM 494 N ALA A 31 -9.274 1.119 -0.773 1.00 0.00 N ATOM 495 CA ALA A 31 -8.935 1.055 0.634 1.00 0.00 C ATOM 496 C ALA A 31 -7.429 0.982 0.836 1.00 0.00 C ATOM 497 O ALA A 31 -6.834 -0.098 0.756 1.00 0.00 O ATOM 498 CB ALA A 31 -9.600 -0.147 1.269 1.00 0.00 C ATOM 0 H ALA A 31 -9.466 0.213 -1.200 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.296 1.966 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.341 -0.189 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.682 -0.063 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.257 -1.056 0.775 1.00 0.00 H new ATOM 504 N ALA A 32 -6.825 2.138 1.067 1.00 0.00 N ATOM 505 CA ALA A 32 -5.411 2.235 1.387 1.00 0.00 C ATOM 506 C ALA A 32 -5.063 3.661 1.771 1.00 0.00 C ATOM 507 O ALA A 32 -5.619 4.611 1.218 1.00 0.00 O ATOM 508 CB ALA A 32 -4.548 1.787 0.220 1.00 0.00 C ATOM 0 H ALA A 32 -7.305 3.038 1.037 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.210 1.573 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.496 1.872 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.777 0.750 -0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.751 2.417 -0.646 1.00 0.00 H new ATOM 514 N ASP A 33 -4.157 3.806 2.721 1.00 0.00 N ATOM 515 CA ASP A 33 -3.719 5.123 3.162 1.00 0.00 C ATOM 516 C ASP A 33 -2.807 5.749 2.109 1.00 0.00 C ATOM 517 O ASP A 33 -2.810 6.964 1.905 1.00 0.00 O ATOM 518 CB ASP A 33 -3.000 5.023 4.514 1.00 0.00 C ATOM 519 CG ASP A 33 -1.659 4.337 4.413 1.00 0.00 C ATOM 520 OD1 ASP A 33 -1.631 3.117 4.147 1.00 0.00 O ATOM 521 OD2 ASP A 33 -0.627 5.013 4.602 1.00 0.00 O ATOM 0 H ASP A 33 -3.708 3.028 3.204 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.593 5.762 3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.861 6.024 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.630 4.477 5.216 1.00 0.00 H new ATOM 526 N GLY A 34 -2.045 4.905 1.424 1.00 0.00 N ATOM 527 CA GLY A 34 -1.218 5.375 0.334 1.00 0.00 C ATOM 528 C GLY A 34 0.259 5.384 0.667 1.00 0.00 C ATOM 529 O GLY A 34 0.785 6.385 1.155 1.00 0.00 O ATOM 0 H GLY A 34 -1.986 3.903 1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.383 4.742 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.528 6.383 0.060 1.00 0.00 H new ATOM 533 N HIS A 35 0.913 4.253 0.427 1.00 0.00 N ATOM 534 CA HIS A 35 2.368 4.140 0.522 1.00 0.00 C ATOM 535 C HIS A 35 2.797 2.761 0.042 1.00 0.00 C ATOM 536 O HIS A 35 2.051 1.792 0.197 1.00 0.00 O ATOM 537 CB HIS A 35 2.901 4.422 1.946 1.00 0.00 C ATOM 538 CG HIS A 35 2.471 3.454 3.011 1.00 0.00 C ATOM 539 ND1 HIS A 35 3.349 2.882 3.907 1.00 0.00 N ATOM 540 CD2 HIS A 35 1.248 2.994 3.353 1.00 0.00 C ATOM 541 CE1 HIS A 35 2.682 2.120 4.754 1.00 0.00 C ATOM 542 NE2 HIS A 35 1.404 2.170 4.438 1.00 0.00 N ATOM 0 H HIS A 35 0.450 3.384 0.160 1.00 0.00 H new ATOM 0 HA HIS A 35 2.805 4.906 -0.119 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.990 4.432 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.582 5.422 2.241 1.00 0.00 H new ATOM 0 HD2 HIS A 35 0.316 3.232 2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 35 3.111 1.553 5.567 1.00 0.00 H new ATOM 0 HE2 HIS A 35 0.653 1.677 4.921 1.00 0.00 H new ATOM 551 N ALA A 36 3.992 2.689 -0.530 1.00 0.00 N ATOM 552 CA ALA A 36 4.497 1.474 -1.170 1.00 0.00 C ATOM 553 C ALA A 36 4.425 0.261 -0.246 1.00 0.00 C ATOM 554 O ALA A 36 4.118 -0.847 -0.685 1.00 0.00 O ATOM 555 CB ALA A 36 5.928 1.697 -1.630 1.00 0.00 C ATOM 0 H ALA A 36 4.643 3.473 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 36 3.860 1.262 -2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.302 0.791 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.957 2.521 -2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.553 1.940 -0.770 1.00 0.00 H new ATOM 561 N GLU A 37 4.693 0.483 1.035 1.00 0.00 N ATOM 562 CA GLU A 37 4.687 -0.588 2.028 1.00 0.00 C ATOM 563 C GLU A 37 3.322 -1.276 2.098 1.00 0.00 C ATOM 564 O GLU A 37 3.240 -2.489 2.301 1.00 0.00 O ATOM 565 CB GLU A 37 5.058 -0.019 3.395 1.00 0.00 C ATOM 566 CG GLU A 37 5.209 -1.061 4.490 1.00 0.00 C ATOM 567 CD GLU A 37 5.473 -0.432 5.841 1.00 0.00 C ATOM 568 OE1 GLU A 37 6.405 0.394 5.944 1.00 0.00 O ATOM 569 OE2 GLU A 37 4.751 -0.759 6.807 1.00 0.00 O ATOM 0 H GLU A 37 4.919 1.402 1.414 1.00 0.00 H new ATOM 0 HA GLU A 37 5.422 -1.336 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.994 0.532 3.303 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.294 0.698 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.303 -1.665 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.028 -1.735 4.238 1.00 0.00 H new ATOM 576 N TYR A 38 2.256 -0.505 1.898 1.00 0.00 N ATOM 577 CA TYR A 38 0.904 -1.038 2.008 1.00 0.00 C ATOM 578 C TYR A 38 0.565 -1.874 0.777 1.00 0.00 C ATOM 579 O TYR A 38 -0.248 -2.797 0.840 1.00 0.00 O ATOM 580 CB TYR A 38 -0.120 0.088 2.195 1.00 0.00 C ATOM 581 CG TYR A 38 -1.467 -0.401 2.676 1.00 0.00 C ATOM 582 CD1 TYR A 38 -1.670 -0.720 4.012 1.00 0.00 C ATOM 583 CD2 TYR A 38 -2.529 -0.554 1.796 1.00 0.00 C ATOM 584 CE1 TYR A 38 -2.895 -1.174 4.461 1.00 0.00 C ATOM 585 CE2 TYR A 38 -3.759 -1.005 2.237 1.00 0.00 C ATOM 586 CZ TYR A 38 -3.935 -1.317 3.569 1.00 0.00 C ATOM 587 OH TYR A 38 -5.158 -1.771 4.006 1.00 0.00 O ATOM 0 H TYR A 38 2.303 0.486 1.660 1.00 0.00 H new ATOM 0 HA TYR A 38 0.860 -1.678 2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.272 0.811 2.910 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.249 0.613 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.855 -0.611 4.713 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.393 -0.317 0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.036 -1.415 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.578 -1.113 1.542 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.781 -1.813 3.250 1.00 0.00 H new ATOM 597 N LEU A 39 1.205 -1.555 -0.346 1.00 0.00 N ATOM 598 CA LEU A 39 1.045 -2.352 -1.556 1.00 0.00 C ATOM 599 C LEU A 39 1.678 -3.715 -1.355 1.00 0.00 C ATOM 600 O LEU A 39 1.134 -4.732 -1.783 1.00 0.00 O ATOM 601 CB LEU A 39 1.664 -1.666 -2.779 1.00 0.00 C ATOM 602 CG LEU A 39 0.797 -0.597 -3.450 1.00 0.00 C ATOM 603 CD1 LEU A 39 0.654 0.627 -2.562 1.00 0.00 C ATOM 604 CD2 LEU A 39 1.382 -0.218 -4.801 1.00 0.00 C ATOM 0 H LEU A 39 1.833 -0.757 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.023 -2.461 -1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.606 -1.207 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.904 -2.430 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.199 -1.012 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.034 1.370 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.187 0.340 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.639 1.050 -2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.756 0.543 -5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.390 0.175 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.420 -1.099 -5.441 1.00 0.00 H new ATOM 616 N VAL A 40 2.825 -3.726 -0.681 1.00 0.00 N ATOM 617 CA VAL A 40 3.480 -4.970 -0.303 1.00 0.00 C ATOM 618 C VAL A 40 2.508 -5.840 0.482 1.00 0.00 C ATOM 619 O VAL A 40 2.390 -7.040 0.233 1.00 0.00 O ATOM 620 CB VAL A 40 4.744 -4.708 0.546 1.00 0.00 C ATOM 621 CG1 VAL A 40 5.399 -6.015 0.969 1.00 0.00 C ATOM 622 CG2 VAL A 40 5.729 -3.836 -0.219 1.00 0.00 C ATOM 0 H VAL A 40 3.319 -2.884 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 40 3.786 -5.483 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 40 4.441 -4.177 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.286 -5.801 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.695 -6.599 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.685 -6.582 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.613 -3.662 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.020 -4.339 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.260 -2.882 -0.459 1.00 0.00 H new ATOM 632 N GLY A 41 1.786 -5.211 1.406 1.00 0.00 N ATOM 633 CA GLY A 41 0.779 -5.914 2.173 1.00 0.00 C ATOM 634 C GLY A 41 -0.314 -6.491 1.292 1.00 0.00 C ATOM 635 O GLY A 41 -0.624 -7.674 1.382 1.00 0.00 O ATOM 0 H GLY A 41 1.883 -4.222 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.251 -6.718 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.336 -5.232 2.899 1.00 0.00 H new ATOM 639 N LYS A 42 -0.878 -5.663 0.417 1.00 0.00 N ATOM 640 CA LYS A 42 -1.952 -6.107 -0.470 1.00 0.00 C ATOM 641 C LYS A 42 -1.493 -7.233 -1.393 1.00 0.00 C ATOM 642 O LYS A 42 -2.238 -8.181 -1.637 1.00 0.00 O ATOM 643 CB LYS A 42 -2.504 -4.939 -1.294 1.00 0.00 C ATOM 644 CG LYS A 42 -3.405 -4.007 -0.499 1.00 0.00 C ATOM 645 CD LYS A 42 -4.580 -4.763 0.109 1.00 0.00 C ATOM 646 CE LYS A 42 -5.464 -3.860 0.956 1.00 0.00 C ATOM 647 NZ LYS A 42 -6.259 -2.900 0.138 1.00 0.00 N ATOM 0 H LYS A 42 -0.612 -4.685 0.302 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.750 -6.495 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.671 -4.366 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.062 -5.335 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.829 -3.527 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.776 -3.214 -1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.175 -5.209 -0.688 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.205 -5.582 0.723 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.142 -4.474 1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.842 -3.304 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.212 -1.955 0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.871 -2.861 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.250 -3.214 0.100 1.00 0.00 H new ATOM 661 N LEU A 43 -0.269 -7.138 -1.893 1.00 0.00 N ATOM 662 CA LEU A 43 0.275 -8.173 -2.760 1.00 0.00 C ATOM 663 C LEU A 43 0.467 -9.474 -1.982 1.00 0.00 C ATOM 664 O LEU A 43 0.256 -10.565 -2.512 1.00 0.00 O ATOM 665 CB LEU A 43 1.599 -7.718 -3.380 1.00 0.00 C ATOM 666 CG LEU A 43 1.509 -6.451 -4.237 1.00 0.00 C ATOM 667 CD1 LEU A 43 2.871 -6.094 -4.813 1.00 0.00 C ATOM 668 CD2 LEU A 43 0.488 -6.626 -5.350 1.00 0.00 C ATOM 0 H LEU A 43 0.364 -6.358 -1.714 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.436 -8.354 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.318 -7.547 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.993 -8.528 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 43 1.181 -5.631 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.785 -5.192 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.576 -5.920 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.230 -6.915 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.440 -5.715 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.783 -7.461 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.492 -6.828 -4.917 1.00 0.00 H new ATOM 680 N GLN A 44 0.854 -9.350 -0.717 1.00 0.00 N ATOM 681 CA GLN A 44 0.993 -10.504 0.161 1.00 0.00 C ATOM 682 C GLN A 44 -0.363 -11.146 0.439 1.00 0.00 C ATOM 683 O GLN A 44 -0.512 -12.362 0.346 1.00 0.00 O ATOM 684 CB GLN A 44 1.649 -10.097 1.484 1.00 0.00 C ATOM 685 CG GLN A 44 3.144 -9.841 1.384 1.00 0.00 C ATOM 686 CD GLN A 44 3.972 -10.951 2.006 1.00 0.00 C ATOM 687 OE1 GLN A 44 5.069 -10.710 2.513 1.00 0.00 O ATOM 688 NE2 GLN A 44 3.453 -12.168 1.982 1.00 0.00 N ATOM 0 H GLN A 44 1.078 -8.458 -0.276 1.00 0.00 H new ATOM 0 HA GLN A 44 1.628 -11.232 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.161 -9.196 1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.474 -10.882 2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.420 -9.731 0.335 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.381 -8.898 1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.541 -12.325 1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.965 -12.949 2.393 1.00 0.00 H new ATOM 697 N GLU A 45 -1.349 -10.324 0.768 1.00 0.00 N ATOM 698 CA GLU A 45 -2.660 -10.828 1.162 1.00 0.00 C ATOM 699 C GLU A 45 -3.446 -11.371 -0.035 1.00 0.00 C ATOM 700 O GLU A 45 -4.095 -12.412 0.069 1.00 0.00 O ATOM 701 CB GLU A 45 -3.467 -9.734 1.866 1.00 0.00 C ATOM 702 CG GLU A 45 -2.758 -9.108 3.063 1.00 0.00 C ATOM 703 CD GLU A 45 -2.207 -10.134 4.035 1.00 0.00 C ATOM 704 OE1 GLU A 45 -2.968 -11.030 4.461 1.00 0.00 O ATOM 705 OE2 GLU A 45 -1.011 -10.044 4.390 1.00 0.00 O ATOM 0 H GLU A 45 -1.268 -9.307 0.771 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.494 -11.653 1.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.701 -8.950 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.416 -10.155 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.942 -8.480 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.455 -8.456 3.589 1.00 0.00 H new ATOM 712 N ARG A 46 -3.387 -10.673 -1.169 1.00 0.00 N ATOM 713 CA ARG A 46 -4.139 -11.086 -2.353 1.00 0.00 C ATOM 714 C ARG A 46 -3.402 -12.167 -3.138 1.00 0.00 C ATOM 715 O ARG A 46 -3.909 -13.276 -3.296 1.00 0.00 O ATOM 716 CB ARG A 46 -4.432 -9.890 -3.264 1.00 0.00 C ATOM 717 CG ARG A 46 -5.448 -8.914 -2.692 1.00 0.00 C ATOM 718 CD ARG A 46 -6.791 -9.587 -2.456 1.00 0.00 C ATOM 719 NE ARG A 46 -7.791 -8.640 -1.967 1.00 0.00 N ATOM 720 CZ ARG A 46 -8.889 -8.983 -1.301 1.00 0.00 C ATOM 721 NH1 ARG A 46 -9.138 -10.258 -1.032 1.00 0.00 N ATOM 722 NH2 ARG A 46 -9.736 -8.041 -0.905 1.00 0.00 N ATOM 0 H ARG A 46 -2.832 -9.826 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.084 -11.502 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.501 -9.358 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.796 -10.257 -4.224 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.074 -8.505 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.575 -8.075 -3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.140 -10.038 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.671 -10.395 -1.734 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.636 -7.648 -2.149 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.485 -10.980 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.982 -10.516 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.542 -7.061 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.581 -8.297 -0.394 1.00 0.00 H new ATOM 736 N TYR A 47 -2.205 -11.846 -3.618 1.00 0.00 N ATOM 737 CA TYR A 47 -1.436 -12.783 -4.431 1.00 0.00 C ATOM 738 C TYR A 47 -0.812 -13.867 -3.576 1.00 0.00 C ATOM 739 O TYR A 47 -1.046 -15.059 -3.789 1.00 0.00 O ATOM 740 CB TYR A 47 -0.333 -12.056 -5.202 1.00 0.00 C ATOM 741 CG TYR A 47 -0.800 -11.399 -6.475 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.797 -12.102 -7.673 1.00 0.00 C ATOM 743 CD2 TYR A 47 -1.227 -10.079 -6.489 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.209 -11.511 -8.847 1.00 0.00 C ATOM 745 CE2 TYR A 47 -1.644 -9.482 -7.661 1.00 0.00 C ATOM 746 CZ TYR A 47 -1.629 -10.202 -8.837 1.00 0.00 C ATOM 747 OH TYR A 47 -2.040 -9.612 -10.007 1.00 0.00 O ATOM 0 H TYR A 47 -1.747 -10.948 -3.459 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.129 -13.242 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.108 -11.297 -4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.457 -12.768 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.466 -13.130 -7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.233 -9.511 -5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.202 -12.072 -9.770 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.981 -8.456 -7.657 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.858 -10.048 -10.323 1.00 0.00 H new ATOM 757 N GLY A 48 -0.026 -13.445 -2.604 1.00 0.00 N ATOM 758 CA GLY A 48 0.725 -14.383 -1.803 1.00 0.00 C ATOM 759 C GLY A 48 2.169 -14.452 -2.242 1.00 0.00 C ATOM 760 O GLY A 48 2.768 -15.530 -2.284 1.00 0.00 O ATOM 0 H GLY A 48 0.106 -12.465 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.676 -14.089 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.273 -15.372 -1.879 1.00 0.00 H new ATOM 764 N TRP A 49 2.724 -13.304 -2.604 1.00 0.00 N ATOM 765 CA TRP A 49 4.122 -13.225 -3.002 1.00 0.00 C ATOM 766 C TRP A 49 5.015 -13.097 -1.782 1.00 0.00 C ATOM 767 O TRP A 49 4.557 -12.712 -0.705 1.00 0.00 O ATOM 768 CB TRP A 49 4.367 -12.027 -3.923 1.00 0.00 C ATOM 769 CG TRP A 49 3.751 -12.156 -5.279 1.00 0.00 C ATOM 770 CD1 TRP A 49 3.403 -13.308 -5.920 1.00 0.00 C ATOM 771 CD2 TRP A 49 3.431 -11.086 -6.171 1.00 0.00 C ATOM 772 NE1 TRP A 49 2.876 -13.018 -7.155 1.00 0.00 N ATOM 773 CE2 TRP A 49 2.887 -11.660 -7.333 1.00 0.00 C ATOM 774 CE3 TRP A 49 3.555 -9.697 -6.100 1.00 0.00 C ATOM 775 CZ2 TRP A 49 2.461 -10.893 -8.413 1.00 0.00 C ATOM 776 CZ3 TRP A 49 3.130 -8.937 -7.172 1.00 0.00 C ATOM 777 CH2 TRP A 49 2.593 -9.538 -8.315 1.00 0.00 C ATOM 0 H TRP A 49 2.227 -12.414 -2.630 1.00 0.00 H new ATOM 0 HA TRP A 49 4.361 -14.143 -3.539 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.976 -11.129 -3.444 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.442 -11.885 -4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 49 3.524 -14.302 -5.516 1.00 0.00 H new ATOM 0 HE1 TRP A 49 2.533 -13.702 -7.829 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.975 -9.226 -5.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.042 -11.353 -9.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.214 -7.861 -7.127 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.276 -8.916 -9.139 1.00 0.00 H new ATOM 788 N SER A 50 6.287 -13.415 -1.954 1.00 0.00 N ATOM 789 CA SER A 50 7.264 -13.212 -0.902 1.00 0.00 C ATOM 790 C SER A 50 7.475 -11.718 -0.682 1.00 0.00 C ATOM 791 O SER A 50 7.241 -10.910 -1.587 1.00 0.00 O ATOM 792 CB SER A 50 8.585 -13.896 -1.260 1.00 0.00 C ATOM 793 OG SER A 50 9.080 -13.439 -2.507 1.00 0.00 O ATOM 0 H SER A 50 6.666 -13.815 -2.813 1.00 0.00 H new ATOM 0 HA SER A 50 6.893 -13.657 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.321 -13.701 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.440 -14.976 -1.298 1.00 0.00 H new ATOM 0 HG SER A 50 9.925 -13.892 -2.709 1.00 0.00 H new ATOM 799 N LYS A 51 7.911 -11.350 0.513 1.00 0.00 N ATOM 800 CA LYS A 51 8.109 -9.948 0.851 1.00 0.00 C ATOM 801 C LYS A 51 9.157 -9.321 -0.062 1.00 0.00 C ATOM 802 O LYS A 51 8.982 -8.200 -0.538 1.00 0.00 O ATOM 803 CB LYS A 51 8.522 -9.797 2.319 1.00 0.00 C ATOM 804 CG LYS A 51 8.723 -8.350 2.743 1.00 0.00 C ATOM 805 CD LYS A 51 9.089 -8.241 4.214 1.00 0.00 C ATOM 806 CE LYS A 51 9.374 -6.801 4.609 1.00 0.00 C ATOM 807 NZ LYS A 51 9.740 -6.681 6.043 1.00 0.00 N ATOM 0 H LYS A 51 8.135 -12.002 1.265 1.00 0.00 H new ATOM 0 HA LYS A 51 7.164 -9.426 0.705 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.760 -10.251 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.447 -10.349 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.510 -7.899 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.811 -7.785 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.274 -8.633 4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.965 -8.856 4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.184 -6.410 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.495 -6.189 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.926 -5.684 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.957 -7.031 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.593 -7.245 6.232 1.00 0.00 H new ATOM 821 N GLU A 52 10.236 -10.056 -0.315 1.00 0.00 N ATOM 822 CA GLU A 52 11.302 -9.579 -1.187 1.00 0.00 C ATOM 823 C GLU A 52 10.779 -9.324 -2.599 1.00 0.00 C ATOM 824 O GLU A 52 11.098 -8.298 -3.211 1.00 0.00 O ATOM 825 CB GLU A 52 12.452 -10.585 -1.219 1.00 0.00 C ATOM 826 CG GLU A 52 13.569 -10.199 -2.170 1.00 0.00 C ATOM 827 CD GLU A 52 14.788 -11.078 -2.017 1.00 0.00 C ATOM 828 OE1 GLU A 52 14.810 -12.186 -2.588 1.00 0.00 O ATOM 829 OE2 GLU A 52 15.740 -10.657 -1.327 1.00 0.00 O ATOM 0 H GLU A 52 10.394 -10.986 0.073 1.00 0.00 H new ATOM 0 HA GLU A 52 11.672 -8.635 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.861 -10.689 -0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.062 -11.561 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.206 -10.262 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.849 -9.161 -1.994 1.00 0.00 H new ATOM 836 N ARG A 53 9.969 -10.249 -3.106 1.00 0.00 N ATOM 837 CA ARG A 53 9.388 -10.110 -4.433 1.00 0.00 C ATOM 838 C ARG A 53 8.443 -8.916 -4.476 1.00 0.00 C ATOM 839 O ARG A 53 8.512 -8.099 -5.394 1.00 0.00 O ATOM 840 CB ARG A 53 8.646 -11.383 -4.836 1.00 0.00 C ATOM 841 CG ARG A 53 7.929 -11.263 -6.168 1.00 0.00 C ATOM 842 CD ARG A 53 7.313 -12.578 -6.595 1.00 0.00 C ATOM 843 NE ARG A 53 6.542 -12.436 -7.825 1.00 0.00 N ATOM 844 CZ ARG A 53 6.131 -13.458 -8.567 1.00 0.00 C ATOM 845 NH1 ARG A 53 6.474 -14.701 -8.243 1.00 0.00 N ATOM 846 NH2 ARG A 53 5.390 -13.236 -9.648 1.00 0.00 N ATOM 0 H ARG A 53 9.701 -11.103 -2.616 1.00 0.00 H new ATOM 0 HA ARG A 53 10.198 -9.944 -5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.356 -12.209 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.921 -11.633 -4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.150 -10.504 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.632 -10.926 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.100 -13.318 -6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.667 -12.952 -5.801 1.00 0.00 H new ATOM 0 HE ARG A 53 6.304 -11.494 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.055 -14.872 -7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.156 -15.483 -8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.138 -12.282 -9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.073 -14.020 -10.219 1.00 0.00 H new ATOM 860 N ALA A 54 7.576 -8.814 -3.473 1.00 0.00 N ATOM 861 CA ALA A 54 6.641 -7.702 -3.379 1.00 0.00 C ATOM 862 C ALA A 54 7.386 -6.372 -3.404 1.00 0.00 C ATOM 863 O ALA A 54 7.103 -5.516 -4.236 1.00 0.00 O ATOM 864 CB ALA A 54 5.794 -7.821 -2.122 1.00 0.00 C ATOM 0 H ALA A 54 7.503 -9.491 -2.713 1.00 0.00 H new ATOM 0 HA ALA A 54 5.977 -7.737 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.101 -6.981 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.231 -8.754 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.441 -7.813 -1.245 1.00 0.00 H new ATOM 870 N GLU A 55 8.355 -6.226 -2.503 1.00 0.00 N ATOM 871 CA GLU A 55 9.209 -5.036 -2.448 1.00 0.00 C ATOM 872 C GLU A 55 9.769 -4.690 -3.827 1.00 0.00 C ATOM 873 O GLU A 55 9.730 -3.536 -4.263 1.00 0.00 O ATOM 874 CB GLU A 55 10.376 -5.290 -1.493 1.00 0.00 C ATOM 875 CG GLU A 55 10.000 -5.280 -0.022 1.00 0.00 C ATOM 876 CD GLU A 55 9.980 -3.884 0.557 1.00 0.00 C ATOM 877 OE1 GLU A 55 11.072 -3.326 0.798 1.00 0.00 O ATOM 878 OE2 GLU A 55 8.883 -3.343 0.791 1.00 0.00 O ATOM 0 H GLU A 55 8.572 -6.925 -1.792 1.00 0.00 H new ATOM 0 HA GLU A 55 8.602 -4.201 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.823 -6.255 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.141 -4.533 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.018 -5.736 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.709 -5.892 0.536 1.00 0.00 H new ATOM 885 N GLN A 56 10.278 -5.706 -4.506 1.00 0.00 N ATOM 886 CA GLN A 56 10.911 -5.531 -5.801 1.00 0.00 C ATOM 887 C GLN A 56 9.899 -5.088 -6.854 1.00 0.00 C ATOM 888 O GLN A 56 10.132 -4.122 -7.575 1.00 0.00 O ATOM 889 CB GLN A 56 11.583 -6.840 -6.219 1.00 0.00 C ATOM 890 CG GLN A 56 12.302 -6.775 -7.556 1.00 0.00 C ATOM 891 CD GLN A 56 13.026 -8.067 -7.879 1.00 0.00 C ATOM 892 OE1 GLN A 56 13.164 -8.444 -9.042 1.00 0.00 O ATOM 893 NE2 GLN A 56 13.499 -8.752 -6.851 1.00 0.00 N ATOM 0 H GLN A 56 10.264 -6.671 -4.176 1.00 0.00 H new ATOM 0 HA GLN A 56 11.664 -4.748 -5.720 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.298 -7.130 -5.449 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.828 -7.624 -6.264 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.581 -6.557 -8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.018 -5.953 -7.542 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.364 -8.405 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.999 -9.627 -7.008 1.00 0.00 H new ATOM 902 N GLU A 57 8.766 -5.778 -6.924 1.00 0.00 N ATOM 903 CA GLU A 57 7.768 -5.488 -7.944 1.00 0.00 C ATOM 904 C GLU A 57 7.036 -4.177 -7.667 1.00 0.00 C ATOM 905 O GLU A 57 6.512 -3.550 -8.587 1.00 0.00 O ATOM 906 CB GLU A 57 6.775 -6.643 -8.087 1.00 0.00 C ATOM 907 CG GLU A 57 7.432 -7.934 -8.550 1.00 0.00 C ATOM 908 CD GLU A 57 6.461 -8.882 -9.221 1.00 0.00 C ATOM 909 OE1 GLU A 57 6.097 -8.622 -10.390 1.00 0.00 O ATOM 910 OE2 GLU A 57 6.069 -9.888 -8.599 1.00 0.00 O ATOM 0 H GLU A 57 8.518 -6.538 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 57 8.299 -5.374 -8.889 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.284 -6.814 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.998 -6.362 -8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.238 -7.697 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.885 -8.433 -7.693 1.00 0.00 H new ATOM 917 N VAL A 58 7.010 -3.757 -6.408 1.00 0.00 N ATOM 918 CA VAL A 58 6.455 -2.453 -6.066 1.00 0.00 C ATOM 919 C VAL A 58 7.311 -1.341 -6.668 1.00 0.00 C ATOM 920 O VAL A 58 6.791 -0.401 -7.278 1.00 0.00 O ATOM 921 CB VAL A 58 6.328 -2.255 -4.537 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.991 -0.811 -4.199 1.00 0.00 C ATOM 923 CG2 VAL A 58 5.263 -3.178 -3.966 1.00 0.00 C ATOM 0 H VAL A 58 7.362 -4.293 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 58 5.450 -2.408 -6.486 1.00 0.00 H new ATOM 0 HB VAL A 58 7.291 -2.501 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.908 -0.700 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.779 -0.157 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.044 -0.540 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.188 -3.025 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.303 -2.957 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.534 -4.214 -4.167 1.00 0.00 H new ATOM 933 N ARG A 59 8.629 -1.450 -6.517 1.00 0.00 N ATOM 934 CA ARG A 59 9.521 -0.485 -7.143 1.00 0.00 C ATOM 935 C ARG A 59 9.511 -0.674 -8.654 1.00 0.00 C ATOM 936 O ARG A 59 9.556 0.295 -9.405 1.00 0.00 O ATOM 937 CB ARG A 59 10.956 -0.592 -6.623 1.00 0.00 C ATOM 938 CG ARG A 59 11.887 0.381 -7.331 1.00 0.00 C ATOM 939 CD ARG A 59 13.343 0.211 -6.938 1.00 0.00 C ATOM 940 NE ARG A 59 14.206 0.984 -7.830 1.00 0.00 N ATOM 941 CZ ARG A 59 15.289 1.654 -7.454 1.00 0.00 C ATOM 942 NH1 ARG A 59 15.689 1.637 -6.190 1.00 0.00 N ATOM 943 NH2 ARG A 59 15.971 2.349 -8.356 1.00 0.00 N ATOM 0 H ARG A 59 9.093 -2.181 -5.978 1.00 0.00 H new ATOM 0 HA ARG A 59 9.152 0.508 -6.885 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.970 -0.394 -5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.319 -1.610 -6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.790 0.247 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.574 1.401 -7.107 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.489 0.537 -5.908 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.617 -0.843 -6.980 1.00 0.00 H new ATOM 0 HE ARG A 59 13.957 1.011 -8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.163 1.106 -5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.522 2.155 -5.912 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.662 2.365 -9.328 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.804 2.867 -8.077 1.00 0.00 H new ATOM 957 N ASP A 60 9.442 -1.929 -9.088 1.00 0.00 N ATOM 958 CA ASP A 60 9.370 -2.262 -10.508 1.00 0.00 C ATOM 959 C ASP A 60 8.174 -1.570 -11.160 1.00 0.00 C ATOM 960 O ASP A 60 8.241 -1.139 -12.310 1.00 0.00 O ATOM 961 CB ASP A 60 9.273 -3.781 -10.684 1.00 0.00 C ATOM 962 CG ASP A 60 9.342 -4.215 -12.133 1.00 0.00 C ATOM 963 OD1 ASP A 60 10.462 -4.432 -12.643 1.00 0.00 O ATOM 964 OD2 ASP A 60 8.278 -4.365 -12.762 1.00 0.00 O ATOM 0 H ASP A 60 9.434 -2.740 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 60 10.277 -1.909 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.081 -4.258 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.337 -4.132 -10.250 1.00 0.00 H new ATOM 969 N PHE A 61 7.084 -1.457 -10.410 1.00 0.00 N ATOM 970 CA PHE A 61 5.907 -0.733 -10.872 1.00 0.00 C ATOM 971 C PHE A 61 6.207 0.761 -10.972 1.00 0.00 C ATOM 972 O PHE A 61 5.849 1.410 -11.954 1.00 0.00 O ATOM 973 CB PHE A 61 4.722 -0.971 -9.928 1.00 0.00 C ATOM 974 CG PHE A 61 3.495 -0.187 -10.299 1.00 0.00 C ATOM 975 CD1 PHE A 61 2.684 -0.596 -11.346 1.00 0.00 C ATOM 976 CD2 PHE A 61 3.153 0.959 -9.600 1.00 0.00 C ATOM 977 CE1 PHE A 61 1.560 0.129 -11.692 1.00 0.00 C ATOM 978 CE2 PHE A 61 2.031 1.687 -9.940 1.00 0.00 C ATOM 979 CZ PHE A 61 1.232 1.271 -10.987 1.00 0.00 C ATOM 0 H PHE A 61 6.991 -1.859 -9.477 1.00 0.00 H new ATOM 0 HA PHE A 61 5.643 -1.105 -11.862 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.478 -2.033 -9.925 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.018 -0.709 -8.912 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.933 -1.491 -11.897 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.772 1.287 -8.778 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.938 -0.197 -12.513 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.778 2.580 -9.388 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.352 1.838 -11.254 1.00 0.00 H new ATOM 989 N SER A 62 6.884 1.293 -9.961 1.00 0.00 N ATOM 990 CA SER A 62 7.229 2.710 -9.928 1.00 0.00 C ATOM 991 C SER A 62 8.245 3.041 -11.022 1.00 0.00 C ATOM 992 O SER A 62 8.286 4.159 -11.538 1.00 0.00 O ATOM 993 CB SER A 62 7.786 3.081 -8.553 1.00 0.00 C ATOM 994 OG SER A 62 6.887 2.704 -7.522 1.00 0.00 O ATOM 0 H SER A 62 7.206 0.763 -9.151 1.00 0.00 H new ATOM 0 HA SER A 62 6.327 3.294 -10.112 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.747 2.589 -8.401 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.967 4.155 -8.508 1.00 0.00 H new ATOM 0 HG SER A 62 6.861 1.727 -7.452 1.00 0.00 H new ATOM 1000 N ASP A 63 9.052 2.051 -11.370 1.00 0.00 N ATOM 1001 CA ASP A 63 10.024 2.174 -12.448 1.00 0.00 C ATOM 1002 C ASP A 63 9.315 2.211 -13.798 1.00 0.00 C ATOM 1003 O ASP A 63 9.773 2.854 -14.742 1.00 0.00 O ATOM 1004 CB ASP A 63 10.998 0.992 -12.389 1.00 0.00 C ATOM 1005 CG ASP A 63 11.977 0.968 -13.544 1.00 0.00 C ATOM 1006 OD1 ASP A 63 12.775 1.918 -13.672 1.00 0.00 O ATOM 1007 OD2 ASP A 63 11.975 -0.020 -14.311 1.00 0.00 O ATOM 0 H ASP A 63 9.053 1.139 -10.914 1.00 0.00 H new ATOM 0 HA ASP A 63 10.580 3.104 -12.329 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.553 1.033 -11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.430 0.062 -12.383 1.00 0.00 H new ATOM 1012 N ARG A 64 8.172 1.539 -13.864 1.00 0.00 N ATOM 1013 CA ARG A 64 7.401 1.444 -15.095 1.00 0.00 C ATOM 1014 C ARG A 64 6.400 2.590 -15.238 1.00 0.00 C ATOM 1015 O ARG A 64 5.578 2.584 -16.155 1.00 0.00 O ATOM 1016 CB ARG A 64 6.654 0.110 -15.149 1.00 0.00 C ATOM 1017 CG ARG A 64 7.220 -0.872 -16.161 1.00 0.00 C ATOM 1018 CD ARG A 64 7.295 -0.257 -17.553 1.00 0.00 C ATOM 1019 NE ARG A 64 6.082 0.493 -17.886 1.00 0.00 N ATOM 1020 CZ ARG A 64 5.391 0.348 -19.012 1.00 0.00 C ATOM 1021 NH1 ARG A 64 5.761 -0.560 -19.907 1.00 0.00 N ATOM 1022 NH2 ARG A 64 4.326 1.107 -19.234 1.00 0.00 N ATOM 0 H ARG A 64 7.757 1.049 -13.072 1.00 0.00 H new ATOM 0 HA ARG A 64 8.109 1.510 -15.922 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.677 -0.348 -14.160 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.608 0.300 -15.388 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.215 -1.187 -15.847 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.597 -1.766 -16.190 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.159 0.406 -17.611 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.448 -1.045 -18.290 1.00 0.00 H new ATOM 0 HE ARG A 64 5.744 1.174 -17.206 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.576 -1.147 -19.731 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.230 -0.671 -20.771 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.040 1.799 -18.542 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.793 0.998 -20.097 1.00 0.00 H new ATOM 1036 N LEU A 65 6.466 3.561 -14.339 1.00 0.00 N ATOM 1037 CA LEU A 65 5.568 4.709 -14.394 1.00 0.00 C ATOM 1038 C LEU A 65 5.991 5.667 -15.500 1.00 0.00 C ATOM 1039 O LEU A 65 5.253 5.785 -16.500 1.00 0.00 O ATOM 1040 CB LEU A 65 5.526 5.433 -13.046 1.00 0.00 C ATOM 1041 CG LEU A 65 4.885 4.644 -11.902 1.00 0.00 C ATOM 1042 CD1 LEU A 65 4.939 5.447 -10.613 1.00 0.00 C ATOM 1043 CD2 LEU A 65 3.448 4.276 -12.249 1.00 0.00 C ATOM 1044 OXT LEU A 65 7.078 6.268 -15.385 1.00 0.00 O ATOM 0 H LEU A 65 7.129 3.579 -13.564 1.00 0.00 H new ATOM 0 HA LEU A 65 4.565 4.344 -14.617 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.545 5.694 -12.760 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.981 6.368 -13.171 1.00 0.00 H new ATOM 0 HG LEU A 65 5.447 3.722 -11.756 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.480 4.874 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.978 5.660 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.398 6.384 -10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.007 3.715 -11.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.871 5.185 -12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.437 3.664 -13.151 1.00 0.00 H new TER 1056 LEU A 65