USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ 157:sc= -0.868 (180deg=0.11) USER MOD Set 1.2: A 84 MET CE :methyl -147:sc= -7.15! (180deg=-3.81!) USER MOD Set 2.1: A 9 THR OG1 : rot -120:sc= -3.32! USER MOD Set 2.2: A 16 CYS SG : rot 25:sc= -8.73! USER MOD Set 3.1: A 4 ASN : amide:sc= -18.3! C(o=-44!,f=-39!) USER MOD Set 3.2: A 62 ASN : amide:sc= -26.1! C(o=-44!,f=-47!) USER MOD Single : A 1 MET CE :methyl 149:sc= -0.958! (180deg=-3.98!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 136:sc= -0.895 USER MOD Single : A 12 THR OG1 : rot 96:sc= 0.126 USER MOD Single : A 13 CYS SG : rot 180:sc= -5.5! USER MOD Single : A 15 TYR OH : rot -46:sc= -1.98! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -150:sc= -0.0432 (180deg=-0.709) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 139:sc= -8.86! (180deg=-12.8!) USER MOD Single : A 51 TYR OH : rot -142:sc= -10.6! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 67:sc= -6.61! USER MOD Single : A 81 ASN : amide:sc= -6.79! C(o=-6.8!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.638 -2.785 10.070 1.00 0.00 N ATOM 2 CA MET A 1 -10.859 -2.369 8.869 1.00 0.00 C ATOM 3 C MET A 1 -11.181 -3.286 7.685 1.00 0.00 C ATOM 4 O MET A 1 -10.871 -4.461 7.696 1.00 0.00 O ATOM 5 CB MET A 1 -9.393 -2.513 9.276 1.00 0.00 C ATOM 6 CG MET A 1 -8.509 -1.762 8.279 1.00 0.00 C ATOM 7 SD MET A 1 -7.721 -0.358 9.108 1.00 0.00 S ATOM 8 CE MET A 1 -7.175 -1.246 10.587 1.00 0.00 C ATOM 0 H1 MET A 1 -11.411 -2.156 10.866 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.655 -2.726 9.861 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.392 -3.764 10.321 1.00 0.00 H new ATOM 0 HA MET A 1 -11.096 -1.352 8.556 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.243 -2.117 10.281 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.114 -3.566 9.303 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.750 -2.431 7.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.107 -1.412 7.438 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.255 -0.798 10.961 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.947 -1.184 11.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.994 -2.292 10.338 1.00 0.00 H new ATOM 20 N VAL A 2 -11.800 -2.759 6.665 1.00 0.00 N ATOM 21 CA VAL A 2 -12.140 -3.601 5.484 1.00 0.00 C ATOM 22 C VAL A 2 -10.992 -3.584 4.473 1.00 0.00 C ATOM 23 O VAL A 2 -10.046 -4.340 4.576 1.00 0.00 O ATOM 24 CB VAL A 2 -13.387 -2.957 4.880 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.216 -1.437 4.844 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.593 -3.484 3.459 1.00 0.00 C ATOM 0 H VAL A 2 -12.085 -1.782 6.598 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.310 -4.642 5.759 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.255 -3.206 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.107 -0.981 4.413 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.071 -1.063 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.348 -1.183 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -14.482 -3.026 3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.724 -3.236 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.720 -4.566 3.487 1.00 0.00 H new ATOM 36 N VAL A 3 -11.080 -2.735 3.488 1.00 0.00 N ATOM 37 CA VAL A 3 -10.006 -2.654 2.467 1.00 0.00 C ATOM 38 C VAL A 3 -8.974 -1.598 2.869 1.00 0.00 C ATOM 39 O VAL A 3 -9.289 -0.423 2.958 1.00 0.00 O ATOM 40 CB VAL A 3 -10.740 -2.249 1.196 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.731 -1.877 0.110 1.00 0.00 C ATOM 42 CG2 VAL A 3 -11.604 -3.417 0.717 1.00 0.00 C ATOM 0 H VAL A 3 -11.857 -2.090 3.348 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.456 -3.587 2.347 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.374 -1.387 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.262 -1.588 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.118 -1.043 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.092 -2.734 -0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.131 -3.130 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.969 -4.279 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.328 -3.675 1.490 1.00 0.00 H new ATOM 52 N ASN A 4 -7.739 -1.985 3.053 1.00 0.00 N ATOM 53 CA ASN A 4 -6.715 -0.971 3.428 1.00 0.00 C ATOM 54 C ASN A 4 -5.447 -1.206 2.601 1.00 0.00 C ATOM 55 O ASN A 4 -4.753 -2.182 2.725 1.00 0.00 O ATOM 56 CB ASN A 4 -6.421 -1.258 4.915 1.00 0.00 C ATOM 57 CG ASN A 4 -6.317 0.067 5.670 1.00 0.00 C ATOM 58 OD1 ASN A 4 -6.436 0.103 6.878 1.00 0.00 O ATOM 59 ND2 ASN A 4 -6.099 1.167 5.003 1.00 0.00 N ATOM 0 H ASN A 4 -7.401 -2.943 2.961 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.047 0.053 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.213 -1.873 5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.492 -1.820 5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -6.029 2.057 5.496 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -5.999 1.137 3.988 1.00 0.00 H new ATOM 66 N ILE A 5 -5.165 -0.285 1.719 1.00 0.00 N ATOM 67 CA ILE A 5 -3.965 -0.390 0.847 1.00 0.00 C ATOM 68 C ILE A 5 -3.121 0.873 0.969 1.00 0.00 C ATOM 69 O ILE A 5 -3.660 1.968 0.890 1.00 0.00 O ATOM 70 CB ILE A 5 -4.491 -0.594 -0.562 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.053 -2.012 -0.702 1.00 0.00 C ATOM 72 CG2 ILE A 5 -3.354 -0.398 -1.565 1.00 0.00 C ATOM 73 CD1 ILE A 5 -6.427 -1.950 -1.372 1.00 0.00 C ATOM 0 H ILE A 5 -5.729 0.551 1.565 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.316 -1.218 1.131 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.281 0.130 -0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.375 -2.627 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.135 -2.481 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.732 -0.545 -2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.955 0.612 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.563 -1.121 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.829 -2.958 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.102 -1.350 -0.762 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.330 -1.498 -2.359 1.00 0.00 H new ATOM 85 N GLU A 6 -1.829 0.770 1.131 1.00 0.00 N ATOM 86 CA GLU A 6 -1.060 2.032 1.211 1.00 0.00 C ATOM 87 C GLU A 6 0.051 2.010 0.162 1.00 0.00 C ATOM 88 O GLU A 6 1.141 1.514 0.361 1.00 0.00 O ATOM 89 CB GLU A 6 -0.429 1.964 2.627 1.00 0.00 C ATOM 90 CG GLU A 6 -0.163 3.381 3.134 1.00 0.00 C ATOM 91 CD GLU A 6 -0.042 3.368 4.659 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.678 2.529 5.276 1.00 0.00 O ATOM 93 OE2 GLU A 6 0.683 4.196 5.182 1.00 0.00 O ATOM 0 H GLU A 6 -1.296 -0.096 1.208 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.662 2.925 1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.098 1.441 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.501 1.397 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.753 3.771 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.972 4.045 2.829 1.00 0.00 H new ATOM 100 N VAL A 7 -0.173 2.706 -0.931 1.00 0.00 N ATOM 101 CA VAL A 7 0.869 2.728 -1.989 1.00 0.00 C ATOM 102 C VAL A 7 1.679 4.006 -1.812 1.00 0.00 C ATOM 103 O VAL A 7 1.227 5.109 -1.964 1.00 0.00 O ATOM 104 CB VAL A 7 0.079 2.818 -3.325 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.725 1.538 -3.530 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.878 4.017 -3.291 1.00 0.00 C ATOM 0 H VAL A 7 -1.016 3.246 -1.126 1.00 0.00 H new ATOM 0 HA VAL A 7 1.533 1.864 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 7 0.785 2.945 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.278 1.602 -4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.048 0.685 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.424 1.411 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.427 4.071 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.581 3.898 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.307 4.935 -3.151 1.00 0.00 H new ATOM 116 N PHE A 8 2.929 3.830 -1.408 1.00 0.00 N ATOM 117 CA PHE A 8 3.792 5.019 -1.172 1.00 0.00 C ATOM 118 C PHE A 8 4.993 4.970 -2.120 1.00 0.00 C ATOM 119 O PHE A 8 6.035 4.437 -1.800 1.00 0.00 O ATOM 120 CB PHE A 8 4.229 4.864 0.296 1.00 0.00 C ATOM 121 CG PHE A 8 5.634 5.385 0.499 1.00 0.00 C ATOM 122 CD1 PHE A 8 5.843 6.735 0.796 1.00 0.00 C ATOM 123 CD2 PHE A 8 6.728 4.514 0.404 1.00 0.00 C ATOM 124 CE1 PHE A 8 7.141 7.217 0.994 1.00 0.00 C ATOM 125 CE2 PHE A 8 8.028 4.997 0.606 1.00 0.00 C ATOM 126 CZ PHE A 8 8.233 6.349 0.901 1.00 0.00 C ATOM 0 H PHE A 8 3.370 2.926 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 8 3.293 5.971 -1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.539 5.405 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.181 3.814 0.585 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.001 7.407 0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.569 3.471 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.300 8.261 1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.871 4.326 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.234 6.722 1.057 1.00 0.00 H new ATOM 136 N THR A 9 4.858 5.557 -3.278 1.00 0.00 N ATOM 137 CA THR A 9 5.987 5.551 -4.257 1.00 0.00 C ATOM 138 C THR A 9 6.394 6.981 -4.606 1.00 0.00 C ATOM 139 O THR A 9 7.414 7.470 -4.160 1.00 0.00 O ATOM 140 CB THR A 9 5.439 4.832 -5.490 1.00 0.00 C ATOM 141 OG1 THR A 9 4.353 3.998 -5.111 1.00 0.00 O ATOM 142 CG2 THR A 9 6.544 3.982 -6.119 1.00 0.00 C ATOM 0 H THR A 9 4.016 6.041 -3.590 1.00 0.00 H new ATOM 0 HA THR A 9 6.874 5.059 -3.859 1.00 0.00 H new ATOM 0 HB THR A 9 5.092 5.568 -6.215 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.561 3.067 -5.338 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.153 3.470 -6.998 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.374 4.624 -6.413 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.893 3.246 -5.395 1.00 0.00 H new ATOM 150 N SER A 10 5.594 7.674 -5.371 1.00 0.00 N ATOM 151 CA SER A 10 5.953 9.071 -5.739 1.00 0.00 C ATOM 152 C SER A 10 4.783 9.768 -6.439 1.00 0.00 C ATOM 153 O SER A 10 3.962 9.139 -7.072 1.00 0.00 O ATOM 154 CB SER A 10 7.129 8.942 -6.717 1.00 0.00 C ATOM 155 OG SER A 10 6.670 9.174 -8.043 1.00 0.00 O ATOM 0 H SER A 10 4.712 7.334 -5.755 1.00 0.00 H new ATOM 0 HA SER A 10 6.202 9.662 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.910 9.658 -6.460 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.571 7.948 -6.642 1.00 0.00 H new ATOM 0 HG SER A 10 7.303 9.757 -8.511 1.00 0.00 H new ATOM 161 N PRO A 11 4.725 11.063 -6.246 1.00 0.00 N ATOM 162 CA PRO A 11 3.635 11.877 -6.834 1.00 0.00 C ATOM 163 C PRO A 11 3.877 12.079 -8.334 1.00 0.00 C ATOM 164 O PRO A 11 2.952 12.229 -9.107 1.00 0.00 O ATOM 165 CB PRO A 11 3.737 13.203 -6.090 1.00 0.00 C ATOM 166 CG PRO A 11 5.158 13.289 -5.626 1.00 0.00 C ATOM 167 CD PRO A 11 5.672 11.878 -5.475 1.00 0.00 C ATOM 0 HA PRO A 11 2.653 11.414 -6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.485 14.040 -6.742 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.046 13.235 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.763 13.843 -6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.220 13.823 -4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.687 11.781 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.698 11.574 -4.429 1.00 0.00 H new ATOM 175 N THR A 12 5.114 12.081 -8.750 1.00 0.00 N ATOM 176 CA THR A 12 5.415 12.270 -10.197 1.00 0.00 C ATOM 177 C THR A 12 5.202 10.955 -10.948 1.00 0.00 C ATOM 178 O THR A 12 5.120 10.923 -12.159 1.00 0.00 O ATOM 179 CB THR A 12 6.885 12.688 -10.247 1.00 0.00 C ATOM 180 OG1 THR A 12 7.314 13.060 -8.945 1.00 0.00 O ATOM 181 CG2 THR A 12 7.049 13.874 -11.199 1.00 0.00 C ATOM 0 H THR A 12 5.930 11.960 -8.150 1.00 0.00 H new ATOM 0 HA THR A 12 4.769 13.014 -10.663 1.00 0.00 H new ATOM 0 HB THR A 12 7.488 11.853 -10.604 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.752 12.296 -8.514 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.097 14.171 -11.233 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.720 13.587 -12.198 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.447 14.711 -10.845 1.00 0.00 H new ATOM 189 N CYS A 13 5.109 9.869 -10.232 1.00 0.00 N ATOM 190 CA CYS A 13 4.896 8.552 -10.896 1.00 0.00 C ATOM 191 C CYS A 13 3.654 7.871 -10.315 1.00 0.00 C ATOM 192 O CYS A 13 2.999 8.414 -9.447 1.00 0.00 O ATOM 193 CB CYS A 13 6.152 7.739 -10.579 1.00 0.00 C ATOM 194 SG CYS A 13 6.837 7.064 -12.112 1.00 0.00 S ATOM 0 H CYS A 13 5.171 9.836 -9.214 1.00 0.00 H new ATOM 0 HA CYS A 13 4.737 8.648 -11.970 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.891 8.369 -10.085 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.910 6.930 -9.889 1.00 0.00 H new ATOM 0 HG CYS A 13 7.906 6.375 -11.843 1.00 0.00 H new ATOM 200 N PRO A 14 3.371 6.703 -10.818 1.00 0.00 N ATOM 201 CA PRO A 14 2.199 5.937 -10.348 1.00 0.00 C ATOM 202 C PRO A 14 2.547 5.153 -9.078 1.00 0.00 C ATOM 203 O PRO A 14 3.311 4.208 -9.114 1.00 0.00 O ATOM 204 CB PRO A 14 1.913 4.987 -11.504 1.00 0.00 C ATOM 205 CG PRO A 14 3.221 4.822 -12.223 1.00 0.00 C ATOM 206 CD PRO A 14 4.106 5.994 -11.867 1.00 0.00 C ATOM 0 HA PRO A 14 1.347 6.568 -10.094 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.541 4.029 -11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.150 5.395 -12.167 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.697 3.885 -11.935 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.060 4.780 -13.300 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.082 5.661 -11.513 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.282 6.635 -12.731 1.00 0.00 H new ATOM 214 N TYR A 15 1.990 5.531 -7.960 1.00 0.00 N ATOM 215 CA TYR A 15 2.289 4.798 -6.698 1.00 0.00 C ATOM 216 C TYR A 15 2.117 3.290 -6.923 1.00 0.00 C ATOM 217 O TYR A 15 2.877 2.670 -7.639 1.00 0.00 O ATOM 218 CB TYR A 15 1.260 5.313 -5.690 1.00 0.00 C ATOM 219 CG TYR A 15 1.138 6.812 -5.815 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.216 7.633 -5.464 1.00 0.00 C ATOM 221 CD2 TYR A 15 -0.053 7.381 -6.281 1.00 0.00 C ATOM 222 CE1 TYR A 15 2.103 9.024 -5.580 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.166 8.772 -6.397 1.00 0.00 C ATOM 224 CZ TYR A 15 0.912 9.593 -6.047 1.00 0.00 C ATOM 225 OH TYR A 15 0.801 10.963 -6.160 1.00 0.00 O ATOM 0 H TYR A 15 1.343 6.314 -7.866 1.00 0.00 H new ATOM 0 HA TYR A 15 3.310 4.958 -6.351 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.293 4.843 -5.869 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.562 5.045 -4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.135 7.194 -5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.885 6.747 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.934 9.658 -5.309 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.085 9.211 -6.756 1.00 0.00 H new ATOM 0 HH TYR A 15 1.142 11.387 -5.345 1.00 0.00 H new ATOM 235 N CYS A 16 1.116 2.697 -6.324 1.00 0.00 N ATOM 236 CA CYS A 16 0.892 1.232 -6.514 1.00 0.00 C ATOM 237 C CYS A 16 -0.583 0.883 -6.273 1.00 0.00 C ATOM 238 O CYS A 16 -0.891 -0.134 -5.684 1.00 0.00 O ATOM 239 CB CYS A 16 1.778 0.558 -5.468 1.00 0.00 C ATOM 240 SG CYS A 16 3.490 0.528 -6.056 1.00 0.00 S ATOM 0 H CYS A 16 0.445 3.163 -5.713 1.00 0.00 H new ATOM 0 HA CYS A 16 1.133 0.906 -7.526 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.716 1.096 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.429 -0.457 -5.280 1.00 0.00 H new ATOM 0 HG CYS A 16 3.673 1.493 -6.907 1.00 0.00 H new ATOM 246 N PRO A 17 -1.448 1.748 -6.733 1.00 0.00 N ATOM 247 CA PRO A 17 -2.910 1.540 -6.561 1.00 0.00 C ATOM 248 C PRO A 17 -3.432 0.482 -7.542 1.00 0.00 C ATOM 249 O PRO A 17 -4.600 0.461 -7.874 1.00 0.00 O ATOM 250 CB PRO A 17 -3.505 2.901 -6.902 1.00 0.00 C ATOM 251 CG PRO A 17 -2.504 3.541 -7.812 1.00 0.00 C ATOM 252 CD PRO A 17 -1.150 2.995 -7.445 1.00 0.00 C ATOM 0 HA PRO A 17 -3.168 1.189 -5.562 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.474 2.798 -7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.663 3.499 -6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.737 3.322 -8.854 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.523 4.625 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.540 2.813 -8.330 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.597 3.691 -6.815 1.00 0.00 H new ATOM 260 N MET A 18 -2.582 -0.383 -8.019 1.00 0.00 N ATOM 261 CA MET A 18 -3.047 -1.418 -8.988 1.00 0.00 C ATOM 262 C MET A 18 -3.198 -2.776 -8.304 1.00 0.00 C ATOM 263 O MET A 18 -4.287 -3.297 -8.169 1.00 0.00 O ATOM 264 CB MET A 18 -1.953 -1.478 -10.053 1.00 0.00 C ATOM 265 CG MET A 18 -1.857 -2.900 -10.607 1.00 0.00 C ATOM 266 SD MET A 18 -3.497 -3.456 -11.133 1.00 0.00 S ATOM 267 CE MET A 18 -3.140 -3.576 -12.903 1.00 0.00 C ATOM 0 H MET A 18 -1.590 -0.420 -7.783 1.00 0.00 H new ATOM 0 HA MET A 18 -4.022 -1.172 -9.408 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.175 -0.777 -10.858 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.997 -1.178 -9.624 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.165 -2.928 -11.449 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.460 -3.572 -9.846 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.032 -3.910 -13.432 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.838 -2.599 -13.280 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.334 -4.292 -13.064 1.00 0.00 H new ATOM 277 N ALA A 19 -2.113 -3.357 -7.878 1.00 0.00 N ATOM 278 CA ALA A 19 -2.197 -4.684 -7.209 1.00 0.00 C ATOM 279 C ALA A 19 -3.164 -4.610 -6.032 1.00 0.00 C ATOM 280 O ALA A 19 -3.703 -5.605 -5.589 1.00 0.00 O ATOM 281 CB ALA A 19 -0.781 -4.966 -6.715 1.00 0.00 C ATOM 0 H ALA A 19 -1.173 -2.971 -7.964 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.559 -5.465 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.758 -5.931 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.097 -4.985 -7.563 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.475 -4.184 -6.020 1.00 0.00 H new ATOM 287 N ILE A 20 -3.394 -3.431 -5.530 1.00 0.00 N ATOM 288 CA ILE A 20 -4.333 -3.283 -4.385 1.00 0.00 C ATOM 289 C ILE A 20 -5.764 -3.485 -4.870 1.00 0.00 C ATOM 290 O ILE A 20 -6.572 -4.108 -4.212 1.00 0.00 O ATOM 291 CB ILE A 20 -4.132 -1.857 -3.878 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.068 -0.908 -4.630 1.00 0.00 C ATOM 293 CG2 ILE A 20 -2.682 -1.431 -4.111 1.00 0.00 C ATOM 294 CD1 ILE A 20 -6.504 -1.111 -4.144 1.00 0.00 C ATOM 0 H ILE A 20 -2.973 -2.563 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.150 -4.014 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.356 -1.818 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.761 0.125 -4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.007 -1.094 -5.702 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.539 -0.413 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.014 -2.104 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.458 -1.472 -5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.169 -0.434 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.808 -2.141 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.559 -0.902 -3.076 1.00 0.00 H new ATOM 306 N GLU A 21 -6.079 -2.980 -6.029 1.00 0.00 N ATOM 307 CA GLU A 21 -7.451 -3.169 -6.559 1.00 0.00 C ATOM 308 C GLU A 21 -7.811 -4.646 -6.445 1.00 0.00 C ATOM 309 O GLU A 21 -8.952 -5.011 -6.236 1.00 0.00 O ATOM 310 CB GLU A 21 -7.382 -2.730 -8.021 1.00 0.00 C ATOM 311 CG GLU A 21 -8.721 -3.014 -8.704 1.00 0.00 C ATOM 312 CD GLU A 21 -9.258 -1.727 -9.332 1.00 0.00 C ATOM 313 OE1 GLU A 21 -8.465 -0.991 -9.897 1.00 0.00 O ATOM 314 OE2 GLU A 21 -10.452 -1.497 -9.237 1.00 0.00 O ATOM 0 H GLU A 21 -5.447 -2.448 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.207 -2.599 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.149 -1.667 -8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.580 -3.262 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.595 -3.780 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.436 -3.403 -7.979 1.00 0.00 H new ATOM 321 N VAL A 22 -6.832 -5.501 -6.566 1.00 0.00 N ATOM 322 CA VAL A 22 -7.099 -6.960 -6.445 1.00 0.00 C ATOM 323 C VAL A 22 -7.457 -7.292 -4.996 1.00 0.00 C ATOM 324 O VAL A 22 -8.404 -7.994 -4.721 1.00 0.00 O ATOM 325 CB VAL A 22 -5.793 -7.643 -6.851 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.791 -9.086 -6.343 1.00 0.00 C ATOM 327 CG2 VAL A 22 -5.670 -7.641 -8.377 1.00 0.00 C ATOM 0 H VAL A 22 -5.859 -5.251 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.930 -7.289 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.951 -7.104 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.860 -9.572 -6.633 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.879 -9.089 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.633 -9.626 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.739 -8.128 -8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.512 -8.180 -8.811 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.671 -6.613 -8.741 1.00 0.00 H new ATOM 337 N VAL A 23 -6.708 -6.772 -4.067 1.00 0.00 N ATOM 338 CA VAL A 23 -7.001 -7.012 -2.629 1.00 0.00 C ATOM 339 C VAL A 23 -8.294 -6.294 -2.249 1.00 0.00 C ATOM 340 O VAL A 23 -8.996 -6.680 -1.339 1.00 0.00 O ATOM 341 CB VAL A 23 -5.810 -6.470 -1.859 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.272 -5.343 -0.939 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.192 -7.593 -1.021 1.00 0.00 C ATOM 0 H VAL A 23 -5.895 -6.183 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.145 -8.069 -2.403 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.066 -6.087 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.418 -4.952 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.714 -4.545 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.014 -5.726 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.337 -7.205 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.935 -7.975 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.864 -8.399 -1.678 1.00 0.00 H new ATOM 353 N ASP A 24 -8.589 -5.220 -2.927 1.00 0.00 N ATOM 354 CA ASP A 24 -9.824 -4.457 -2.619 1.00 0.00 C ATOM 355 C ASP A 24 -11.008 -5.220 -3.194 1.00 0.00 C ATOM 356 O ASP A 24 -12.081 -5.272 -2.628 1.00 0.00 O ATOM 357 CB ASP A 24 -9.651 -3.109 -3.309 1.00 0.00 C ATOM 358 CG ASP A 24 -10.476 -2.053 -2.574 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.204 -2.423 -1.669 1.00 0.00 O ATOM 360 OD2 ASP A 24 -10.368 -0.891 -2.931 1.00 0.00 O ATOM 0 H ASP A 24 -8.023 -4.838 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.996 -4.322 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.599 -2.824 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.970 -3.177 -4.349 1.00 0.00 H new ATOM 365 N GLU A 25 -10.798 -5.814 -4.330 1.00 0.00 N ATOM 366 CA GLU A 25 -11.871 -6.597 -4.982 1.00 0.00 C ATOM 367 C GLU A 25 -12.327 -7.714 -4.042 1.00 0.00 C ATOM 368 O GLU A 25 -13.502 -7.967 -3.877 1.00 0.00 O ATOM 369 CB GLU A 25 -11.207 -7.173 -6.229 1.00 0.00 C ATOM 370 CG GLU A 25 -11.896 -6.623 -7.479 1.00 0.00 C ATOM 371 CD GLU A 25 -13.346 -7.107 -7.517 1.00 0.00 C ATOM 372 OE1 GLU A 25 -13.552 -8.307 -7.430 1.00 0.00 O ATOM 373 OE2 GLU A 25 -14.226 -6.272 -7.635 1.00 0.00 O ATOM 0 H GLU A 25 -9.915 -5.789 -4.840 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.753 -6.005 -5.225 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.148 -6.914 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.269 -8.261 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.865 -5.533 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.368 -6.953 -8.373 1.00 0.00 H new ATOM 380 N ALA A 26 -11.392 -8.385 -3.427 1.00 0.00 N ATOM 381 CA ALA A 26 -11.752 -9.485 -2.488 1.00 0.00 C ATOM 382 C ALA A 26 -12.170 -8.909 -1.139 1.00 0.00 C ATOM 383 O ALA A 26 -13.112 -9.362 -0.520 1.00 0.00 O ATOM 384 CB ALA A 26 -10.480 -10.310 -2.342 1.00 0.00 C ATOM 0 H ALA A 26 -10.391 -8.218 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.587 -10.083 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.663 -11.143 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.182 -10.695 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.684 -9.683 -1.941 1.00 0.00 H new ATOM 390 N LYS A 27 -11.472 -7.905 -0.677 1.00 0.00 N ATOM 391 CA LYS A 27 -11.839 -7.319 0.640 1.00 0.00 C ATOM 392 C LYS A 27 -13.200 -6.644 0.523 1.00 0.00 C ATOM 393 O LYS A 27 -13.927 -6.518 1.488 1.00 0.00 O ATOM 394 CB LYS A 27 -10.740 -6.289 0.930 1.00 0.00 C ATOM 395 CG LYS A 27 -9.524 -7.008 1.517 1.00 0.00 C ATOM 396 CD LYS A 27 -9.992 -8.172 2.396 1.00 0.00 C ATOM 397 CE LYS A 27 -10.217 -9.417 1.530 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.849 -9.922 1.222 1.00 0.00 N ATOM 0 H LYS A 27 -10.677 -7.473 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.911 -8.061 1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.463 -5.767 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.105 -5.536 1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.885 -7.378 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.926 -6.312 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.248 -8.382 3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.915 -7.904 2.910 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.805 -10.166 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.762 -9.171 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.897 -10.934 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.459 -9.397 0.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.235 -9.787 2.050 1.00 0.00 H new ATOM 412 N LYS A 28 -13.575 -6.268 -0.667 1.00 0.00 N ATOM 413 CA LYS A 28 -14.913 -5.658 -0.860 1.00 0.00 C ATOM 414 C LYS A 28 -15.956 -6.744 -0.629 1.00 0.00 C ATOM 415 O LYS A 28 -16.932 -6.560 0.072 1.00 0.00 O ATOM 416 CB LYS A 28 -14.927 -5.208 -2.317 1.00 0.00 C ATOM 417 CG LYS A 28 -15.116 -3.691 -2.386 1.00 0.00 C ATOM 418 CD LYS A 28 -16.456 -3.373 -3.051 1.00 0.00 C ATOM 419 CE LYS A 28 -16.248 -2.325 -4.145 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.070 -1.157 -3.720 1.00 0.00 N ATOM 0 H LYS A 28 -13.011 -6.358 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.122 -4.828 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.994 -5.490 -2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.732 -5.709 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.085 -3.264 -1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.301 -3.238 -2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.886 -4.279 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.164 -3.003 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.196 -2.055 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.568 -2.700 -5.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.979 -0.395 -4.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.067 -1.443 -3.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.738 -0.817 -2.795 1.00 0.00 H new ATOM 434 N GLU A 29 -15.722 -7.888 -1.204 1.00 0.00 N ATOM 435 CA GLU A 29 -16.654 -9.033 -1.030 1.00 0.00 C ATOM 436 C GLU A 29 -16.945 -9.210 0.456 1.00 0.00 C ATOM 437 O GLU A 29 -18.070 -9.424 0.865 1.00 0.00 O ATOM 438 CB GLU A 29 -15.867 -10.224 -1.584 1.00 0.00 C ATOM 439 CG GLU A 29 -15.592 -11.250 -0.477 1.00 0.00 C ATOM 440 CD GLU A 29 -16.752 -12.242 -0.400 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.282 -12.586 -1.444 1.00 0.00 O ATOM 442 OE2 GLU A 29 -17.091 -12.645 0.701 1.00 0.00 O ATOM 0 H GLU A 29 -14.913 -8.081 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.614 -8.908 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.428 -10.694 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.925 -9.878 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.661 -11.779 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.469 -10.743 0.480 1.00 0.00 H new ATOM 449 N PHE A 30 -15.946 -9.060 1.269 1.00 0.00 N ATOM 450 CA PHE A 30 -16.144 -9.205 2.733 1.00 0.00 C ATOM 451 C PHE A 30 -16.506 -7.837 3.314 1.00 0.00 C ATOM 452 O PHE A 30 -17.505 -7.689 3.996 1.00 0.00 O ATOM 453 CB PHE A 30 -14.785 -9.679 3.277 1.00 0.00 C ATOM 454 CG PHE A 30 -14.237 -8.657 4.246 1.00 0.00 C ATOM 455 CD1 PHE A 30 -14.845 -8.479 5.493 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.123 -7.889 3.896 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.338 -7.532 6.390 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.614 -6.942 4.792 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.224 -6.764 6.040 1.00 0.00 C ATOM 0 H PHE A 30 -14.992 -8.841 0.982 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.940 -9.903 2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.898 -10.642 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.085 -9.826 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.706 -9.072 5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.654 -8.027 2.933 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -14.808 -7.395 7.353 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.752 -6.350 4.522 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.833 -6.033 6.732 1.00 0.00 H new ATOM 469 N GLY A 31 -15.680 -6.858 3.103 1.00 0.00 N ATOM 470 CA GLY A 31 -15.956 -5.487 3.613 1.00 0.00 C ATOM 471 C GLY A 31 -16.605 -4.612 2.538 1.00 0.00 C ATOM 472 O GLY A 31 -15.915 -3.803 1.927 1.00 0.00 O ATOM 0 H GLY A 31 -14.805 -6.950 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.612 -5.545 4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.026 -5.027 3.946 1.00 0.00 H new ATOM 476 N ASP A 32 -17.861 -4.749 2.287 1.00 0.00 N ATOM 477 CA ASP A 32 -18.489 -3.905 1.232 1.00 0.00 C ATOM 478 C ASP A 32 -17.883 -2.493 1.248 1.00 0.00 C ATOM 479 O ASP A 32 -17.951 -1.770 0.277 1.00 0.00 O ATOM 480 CB ASP A 32 -19.969 -3.845 1.644 1.00 0.00 C ATOM 481 CG ASP A 32 -20.504 -2.425 1.450 1.00 0.00 C ATOM 482 OD1 ASP A 32 -20.691 -2.035 0.309 1.00 0.00 O ATOM 483 OD2 ASP A 32 -20.716 -1.751 2.444 1.00 0.00 O ATOM 0 H ASP A 32 -18.487 -5.402 2.758 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.340 -4.303 0.228 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.551 -4.547 1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -20.078 -4.145 2.686 1.00 0.00 H new ATOM 488 N LYS A 33 -17.304 -2.095 2.343 1.00 0.00 N ATOM 489 CA LYS A 33 -16.650 -0.759 2.445 1.00 0.00 C ATOM 490 C LYS A 33 -15.213 -0.807 1.924 1.00 0.00 C ATOM 491 O LYS A 33 -14.578 -1.848 1.964 1.00 0.00 O ATOM 492 CB LYS A 33 -16.719 -0.368 3.902 1.00 0.00 C ATOM 493 CG LYS A 33 -18.101 0.214 4.219 1.00 0.00 C ATOM 494 CD LYS A 33 -18.238 0.398 5.731 1.00 0.00 C ATOM 495 CE LYS A 33 -18.155 -0.966 6.422 1.00 0.00 C ATOM 496 NZ LYS A 33 -19.414 -1.665 6.047 1.00 0.00 N ATOM 0 H LYS A 33 -17.254 -2.653 3.195 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.156 -0.016 1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.528 -1.238 4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.945 0.365 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.231 1.170 3.712 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -18.882 -0.451 3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -17.450 1.053 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -19.188 0.879 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.280 -1.524 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -18.071 -0.856 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.689 -2.317 6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.169 -0.965 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -19.265 -2.202 5.169 1.00 0.00 H new ATOM 510 N ILE A 34 -14.678 0.291 1.474 1.00 0.00 N ATOM 511 CA ILE A 34 -13.268 0.261 0.997 1.00 0.00 C ATOM 512 C ILE A 34 -12.444 1.380 1.644 1.00 0.00 C ATOM 513 O ILE A 34 -12.943 2.436 1.972 1.00 0.00 O ATOM 514 CB ILE A 34 -13.382 0.499 -0.512 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.634 -0.607 -1.254 1.00 0.00 C ATOM 516 CG2 ILE A 34 -12.770 1.856 -0.870 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.606 -1.736 -1.601 1.00 0.00 C ATOM 0 H ILE A 34 -15.146 1.195 1.416 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.768 -0.675 1.248 1.00 0.00 H new ATOM 0 HB ILE A 34 -14.433 0.491 -0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.183 -0.209 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.822 -0.989 -0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.853 2.021 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.301 2.646 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.719 1.869 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.073 -2.525 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.036 -2.140 -0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.403 -1.348 -2.235 1.00 0.00 H new ATOM 529 N ASP A 35 -11.170 1.145 1.815 1.00 0.00 N ATOM 530 CA ASP A 35 -10.288 2.168 2.432 1.00 0.00 C ATOM 531 C ASP A 35 -8.873 2.010 1.878 1.00 0.00 C ATOM 532 O ASP A 35 -7.955 1.631 2.582 1.00 0.00 O ATOM 533 CB ASP A 35 -10.317 1.877 3.935 1.00 0.00 C ATOM 534 CG ASP A 35 -10.973 3.047 4.672 1.00 0.00 C ATOM 535 OD1 ASP A 35 -12.183 3.170 4.589 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.252 3.799 5.307 1.00 0.00 O ATOM 0 H ASP A 35 -10.702 0.278 1.550 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.613 3.187 2.221 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.870 0.957 4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.304 1.723 4.305 1.00 0.00 H new ATOM 541 N VAL A 36 -8.685 2.309 0.618 1.00 0.00 N ATOM 542 CA VAL A 36 -7.332 2.143 0.035 1.00 0.00 C ATOM 543 C VAL A 36 -6.558 3.453 0.161 1.00 0.00 C ATOM 544 O VAL A 36 -6.897 4.467 -0.414 1.00 0.00 O ATOM 545 CB VAL A 36 -7.593 1.836 -1.458 1.00 0.00 C ATOM 546 CG1 VAL A 36 -6.261 1.647 -2.186 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.421 0.555 -1.572 1.00 0.00 C ATOM 0 H VAL A 36 -9.402 2.655 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.752 1.364 0.530 1.00 0.00 H new ATOM 0 HB VAL A 36 -8.136 2.666 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.449 1.431 -3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.668 2.558 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.715 0.817 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.607 0.335 -2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.875 -0.273 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.371 0.689 -1.055 1.00 0.00 H new ATOM 557 N GLU A 37 -5.457 3.417 0.884 1.00 0.00 N ATOM 558 CA GLU A 37 -4.685 4.681 1.059 1.00 0.00 C ATOM 559 C GLU A 37 -3.505 4.659 0.084 1.00 0.00 C ATOM 560 O GLU A 37 -2.790 3.707 -0.064 1.00 0.00 O ATOM 561 CB GLU A 37 -4.123 4.584 2.504 1.00 0.00 C ATOM 562 CG GLU A 37 -5.252 4.825 3.504 1.00 0.00 C ATOM 563 CD GLU A 37 -5.145 6.245 4.061 1.00 0.00 C ATOM 564 OE1 GLU A 37 -4.196 6.926 3.713 1.00 0.00 O ATOM 565 OE2 GLU A 37 -6.015 6.626 4.828 1.00 0.00 O ATOM 0 H GLU A 37 -5.074 2.591 1.345 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.281 5.577 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.680 3.602 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.331 5.319 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.218 4.685 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.195 4.099 4.315 1.00 0.00 H new ATOM 572 N LYS A 38 -3.343 5.736 -0.640 1.00 0.00 N ATOM 573 CA LYS A 38 -2.280 5.815 -1.675 1.00 0.00 C ATOM 574 C LYS A 38 -1.604 7.185 -1.682 1.00 0.00 C ATOM 575 O LYS A 38 -2.283 8.191 -1.808 1.00 0.00 O ATOM 576 CB LYS A 38 -2.942 5.523 -3.003 1.00 0.00 C ATOM 577 CG LYS A 38 -4.090 6.509 -3.206 1.00 0.00 C ATOM 578 CD LYS A 38 -5.385 5.904 -2.661 1.00 0.00 C ATOM 579 CE LYS A 38 -6.246 5.407 -3.825 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.646 5.720 -3.427 1.00 0.00 N ATOM 0 H LYS A 38 -3.915 6.576 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.491 5.092 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.219 5.613 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.316 4.499 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.872 7.447 -2.696 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.202 6.740 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.157 5.080 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.932 6.649 -2.083 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.979 5.907 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.111 4.338 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.298 5.409 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.874 5.225 -2.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.746 6.746 -3.286 1.00 0.00 H new ATOM 594 N ILE A 39 -0.320 7.262 -1.497 1.00 0.00 N ATOM 595 CA ILE A 39 0.346 8.592 -1.501 1.00 0.00 C ATOM 596 C ILE A 39 1.652 8.552 -2.295 1.00 0.00 C ATOM 597 O ILE A 39 1.894 7.679 -3.101 1.00 0.00 O ATOM 598 CB ILE A 39 0.651 8.904 -0.056 1.00 0.00 C ATOM 599 CG1 ILE A 39 0.651 7.604 0.752 1.00 0.00 C ATOM 600 CG2 ILE A 39 -0.408 9.857 0.503 1.00 0.00 C ATOM 601 CD1 ILE A 39 -0.784 7.102 0.914 1.00 0.00 C ATOM 0 H ILE A 39 0.297 6.465 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.294 9.343 -1.965 1.00 0.00 H new ATOM 0 HB ILE A 39 1.630 9.378 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.256 6.850 0.248 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.101 7.772 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.183 10.079 1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.406 10.782 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.390 9.390 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.783 6.176 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.376 7.854 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.218 6.918 -0.069 1.00 0.00 H new ATOM 613 N ASP A 40 2.467 9.543 -2.090 1.00 0.00 N ATOM 614 CA ASP A 40 3.776 9.633 -2.772 1.00 0.00 C ATOM 615 C ASP A 40 4.941 9.434 -1.796 1.00 0.00 C ATOM 616 O ASP A 40 4.762 9.458 -0.595 1.00 0.00 O ATOM 617 CB ASP A 40 3.780 10.989 -3.420 1.00 0.00 C ATOM 618 CG ASP A 40 2.518 11.756 -3.011 1.00 0.00 C ATOM 619 OD1 ASP A 40 2.133 11.660 -1.857 1.00 0.00 O ATOM 620 OD2 ASP A 40 1.961 12.433 -3.861 1.00 0.00 O ATOM 0 H ASP A 40 2.270 10.318 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 40 3.912 8.844 -3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.669 11.544 -3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.820 10.885 -4.504 1.00 0.00 H new ATOM 625 N ILE A 41 6.131 9.309 -2.305 1.00 0.00 N ATOM 626 CA ILE A 41 7.317 9.169 -1.412 1.00 0.00 C ATOM 627 C ILE A 41 7.559 10.442 -0.594 1.00 0.00 C ATOM 628 O ILE A 41 7.678 10.393 0.621 1.00 0.00 O ATOM 629 CB ILE A 41 8.494 8.931 -2.359 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.796 9.306 -1.647 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.328 9.800 -3.609 1.00 0.00 C ATOM 632 CD1 ILE A 41 10.952 9.295 -2.649 1.00 0.00 C ATOM 0 H ILE A 41 6.337 9.297 -3.304 1.00 0.00 H new ATOM 0 HA ILE A 41 7.178 8.361 -0.693 1.00 0.00 H new ATOM 0 HB ILE A 41 8.524 7.881 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.703 10.293 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 41 9.996 8.603 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.167 9.630 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.398 9.538 -4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.301 10.851 -3.321 1.00 0.00 H new ATOM 0 HD11 ILE A 41 11.878 9.562 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.050 8.299 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.753 10.016 -3.442 1.00 0.00 H new ATOM 644 N MET A 42 7.674 11.573 -1.244 1.00 0.00 N ATOM 645 CA MET A 42 7.950 12.823 -0.478 1.00 0.00 C ATOM 646 C MET A 42 6.780 13.172 0.439 1.00 0.00 C ATOM 647 O MET A 42 6.843 14.108 1.212 1.00 0.00 O ATOM 648 CB MET A 42 8.068 13.902 -1.569 1.00 0.00 C ATOM 649 CG MET A 42 6.671 14.256 -2.103 1.00 0.00 C ATOM 650 SD MET A 42 6.807 15.594 -3.318 1.00 0.00 S ATOM 651 CE MET A 42 6.046 16.891 -2.312 1.00 0.00 C ATOM 0 H MET A 42 7.590 11.683 -2.255 1.00 0.00 H new ATOM 0 HA MET A 42 8.835 12.730 0.151 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.549 14.792 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.698 13.543 -2.382 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.213 13.380 -2.562 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.023 14.561 -1.281 1.00 0.00 H new ATOM 0 HE1 MET A 42 6.025 17.824 -2.876 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.028 16.600 -2.053 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.626 17.031 -1.400 1.00 0.00 H new ATOM 661 N VAL A 43 5.735 12.393 0.411 1.00 0.00 N ATOM 662 CA VAL A 43 4.585 12.668 1.320 1.00 0.00 C ATOM 663 C VAL A 43 4.458 11.574 2.375 1.00 0.00 C ATOM 664 O VAL A 43 4.341 11.848 3.554 1.00 0.00 O ATOM 665 CB VAL A 43 3.359 12.683 0.403 1.00 0.00 C ATOM 666 CG1 VAL A 43 3.790 13.052 -1.017 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.712 11.296 0.400 1.00 0.00 C ATOM 0 H VAL A 43 5.626 11.582 -0.198 1.00 0.00 H new ATOM 0 HA VAL A 43 4.704 13.606 1.863 1.00 0.00 H new ATOM 0 HB VAL A 43 2.640 13.418 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.918 13.063 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.252 14.039 -1.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.508 12.317 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.839 11.303 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.430 10.560 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.406 11.035 1.413 1.00 0.00 H new ATOM 677 N ASP A 44 4.484 10.334 1.969 1.00 0.00 N ATOM 678 CA ASP A 44 4.367 9.228 2.961 1.00 0.00 C ATOM 679 C ASP A 44 5.726 8.557 3.162 1.00 0.00 C ATOM 680 O ASP A 44 5.838 7.343 3.145 1.00 0.00 O ATOM 681 CB ASP A 44 3.362 8.250 2.353 1.00 0.00 C ATOM 682 CG ASP A 44 3.460 6.904 3.073 1.00 0.00 C ATOM 683 OD1 ASP A 44 2.782 6.740 4.075 1.00 0.00 O ATOM 684 OD2 ASP A 44 4.211 6.060 2.613 1.00 0.00 O ATOM 0 H ASP A 44 4.581 10.040 0.997 1.00 0.00 H new ATOM 0 HA ASP A 44 4.042 9.581 3.939 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.351 8.649 2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.562 8.121 1.289 1.00 0.00 H new ATOM 689 N ARG A 45 6.762 9.338 3.377 1.00 0.00 N ATOM 690 CA ARG A 45 8.098 8.701 3.542 1.00 0.00 C ATOM 691 C ARG A 45 8.094 7.810 4.789 1.00 0.00 C ATOM 692 O ARG A 45 8.987 7.013 4.992 1.00 0.00 O ATOM 693 CB ARG A 45 9.033 9.908 3.825 1.00 0.00 C ATOM 694 CG ARG A 45 10.488 9.435 3.842 1.00 0.00 C ATOM 695 CD ARG A 45 11.339 10.365 2.976 1.00 0.00 C ATOM 696 NE ARG A 45 12.749 10.012 3.304 1.00 0.00 N ATOM 697 CZ ARG A 45 13.360 10.612 4.288 1.00 0.00 C ATOM 698 NH1 ARG A 45 13.091 11.860 4.559 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.241 9.965 5.001 1.00 0.00 N ATOM 0 H ARG A 45 6.739 10.356 3.443 1.00 0.00 H new ATOM 0 HA ARG A 45 8.387 8.096 2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.897 10.673 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.777 10.364 4.781 1.00 0.00 H new ATOM 0 HG2 ARG A 45 10.866 9.426 4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.553 8.413 3.469 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.131 10.218 1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.132 11.412 3.199 1.00 0.00 H new ATOM 0 HE ARG A 45 13.237 9.301 2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.403 12.366 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.569 12.329 5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.452 8.990 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.719 10.434 5.770 1.00 0.00 H new ATOM 713 N GLU A 46 7.044 7.855 5.557 1.00 0.00 N ATOM 714 CA GLU A 46 6.930 6.962 6.744 1.00 0.00 C ATOM 715 C GLU A 46 7.193 5.514 6.340 1.00 0.00 C ATOM 716 O GLU A 46 7.480 4.672 7.164 1.00 0.00 O ATOM 717 CB GLU A 46 5.513 7.148 7.267 1.00 0.00 C ATOM 718 CG GLU A 46 5.275 8.626 7.584 1.00 0.00 C ATOM 719 CD GLU A 46 5.250 8.828 9.100 1.00 0.00 C ATOM 720 OE1 GLU A 46 6.311 8.784 9.701 1.00 0.00 O ATOM 721 OE2 GLU A 46 4.170 9.021 9.635 1.00 0.00 O ATOM 0 H GLU A 46 6.250 8.479 5.412 1.00 0.00 H new ATOM 0 HA GLU A 46 7.662 7.206 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.792 6.804 6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.362 6.544 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.062 9.235 7.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.332 8.955 7.148 1.00 0.00 H new ATOM 728 N LYS A 47 7.070 5.208 5.078 1.00 0.00 N ATOM 729 CA LYS A 47 7.304 3.807 4.645 1.00 0.00 C ATOM 730 C LYS A 47 8.647 3.323 5.169 1.00 0.00 C ATOM 731 O LYS A 47 8.754 2.323 5.841 1.00 0.00 O ATOM 732 CB LYS A 47 7.369 3.844 3.114 1.00 0.00 C ATOM 733 CG LYS A 47 8.582 3.024 2.652 1.00 0.00 C ATOM 734 CD LYS A 47 8.421 1.579 3.124 1.00 0.00 C ATOM 735 CE LYS A 47 9.778 0.876 3.092 1.00 0.00 C ATOM 736 NZ LYS A 47 9.698 -0.154 4.165 1.00 0.00 N ATOM 0 H LYS A 47 6.820 5.862 4.336 1.00 0.00 H new ATOM 0 HA LYS A 47 6.521 3.145 5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.453 3.436 2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.453 4.873 2.764 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.666 3.057 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.500 3.451 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.013 1.559 4.135 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.712 1.053 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.965 0.420 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.591 1.578 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.139 -1.036 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.198 0.187 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.701 -0.333 4.401 1.00 0.00 H new ATOM 750 N ALA A 48 9.672 3.992 4.810 1.00 0.00 N ATOM 751 CA ALA A 48 11.032 3.692 5.252 1.00 0.00 C ATOM 752 C ALA A 48 11.154 3.852 6.752 1.00 0.00 C ATOM 753 O ALA A 48 12.242 3.786 7.292 1.00 0.00 O ATOM 754 CB ALA A 48 11.965 4.459 4.401 1.00 0.00 C ATOM 0 H ALA A 48 9.618 4.794 4.182 1.00 0.00 H new ATOM 0 HA ALA A 48 11.307 2.647 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.990 4.254 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.833 4.165 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.761 5.525 4.506 1.00 0.00 H new ATOM 760 N ILE A 49 10.108 4.252 7.419 1.00 0.00 N ATOM 761 CA ILE A 49 10.268 4.480 8.864 1.00 0.00 C ATOM 762 C ILE A 49 11.250 3.408 9.299 1.00 0.00 C ATOM 763 O ILE A 49 12.205 3.651 10.006 1.00 0.00 O ATOM 764 CB ILE A 49 8.881 4.246 9.477 1.00 0.00 C ATOM 765 CG1 ILE A 49 8.189 3.068 8.776 1.00 0.00 C ATOM 766 CG2 ILE A 49 8.035 5.508 9.306 1.00 0.00 C ATOM 767 CD1 ILE A 49 6.679 3.150 9.011 1.00 0.00 C ATOM 0 H ILE A 49 9.180 4.424 7.033 1.00 0.00 H new ATOM 0 HA ILE A 49 10.625 5.469 9.152 1.00 0.00 H new ATOM 0 HB ILE A 49 8.991 4.015 10.537 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.403 3.090 7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.577 2.124 9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.048 5.346 9.740 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.521 6.343 9.811 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.932 5.736 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.187 2.314 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.474 3.107 10.081 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.298 4.088 8.606 1.00 0.00 H new ATOM 779 N GLU A 50 11.042 2.226 8.793 1.00 0.00 N ATOM 780 CA GLU A 50 11.967 1.108 9.078 1.00 0.00 C ATOM 781 C GLU A 50 13.408 1.573 8.840 1.00 0.00 C ATOM 782 O GLU A 50 14.262 1.426 9.691 1.00 0.00 O ATOM 783 CB GLU A 50 11.564 0.030 8.072 1.00 0.00 C ATOM 784 CG GLU A 50 10.769 -1.061 8.788 1.00 0.00 C ATOM 785 CD GLU A 50 11.280 -2.436 8.355 1.00 0.00 C ATOM 786 OE1 GLU A 50 10.874 -2.892 7.298 1.00 0.00 O ATOM 787 OE2 GLU A 50 12.067 -3.011 9.088 1.00 0.00 O ATOM 0 H GLU A 50 10.257 1.989 8.186 1.00 0.00 H new ATOM 0 HA GLU A 50 11.915 0.746 10.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.964 0.468 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.452 -0.398 7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.868 -0.948 9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.709 -0.966 8.554 1.00 0.00 H new ATOM 794 N TYR A 51 13.685 2.149 7.694 1.00 0.00 N ATOM 795 CA TYR A 51 15.078 2.635 7.432 1.00 0.00 C ATOM 796 C TYR A 51 15.062 4.110 7.031 1.00 0.00 C ATOM 797 O TYR A 51 15.970 4.861 7.324 1.00 0.00 O ATOM 798 CB TYR A 51 15.607 1.788 6.273 1.00 0.00 C ATOM 799 CG TYR A 51 14.617 1.767 5.132 1.00 0.00 C ATOM 800 CD1 TYR A 51 13.359 1.184 5.299 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.973 2.319 3.897 1.00 0.00 C ATOM 802 CE1 TYR A 51 12.455 1.154 4.233 1.00 0.00 C ATOM 803 CE2 TYR A 51 14.068 2.291 2.833 1.00 0.00 C ATOM 804 CZ TYR A 51 12.809 1.708 3.000 1.00 0.00 C ATOM 805 OH TYR A 51 11.917 1.676 1.946 1.00 0.00 O ATOM 0 H TYR A 51 13.017 2.302 6.938 1.00 0.00 H new ATOM 0 HA TYR A 51 15.703 2.544 8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.559 2.190 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.796 0.771 6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.084 0.756 6.252 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.947 2.767 3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.483 0.702 4.363 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.342 2.720 1.881 1.00 0.00 H new ATOM 0 HH TYR A 51 12.403 1.508 1.111 1.00 0.00 H new ATOM 815 N GLY A 52 14.025 4.510 6.368 1.00 0.00 N ATOM 816 CA GLY A 52 13.888 5.924 5.921 1.00 0.00 C ATOM 817 C GLY A 52 15.022 6.318 4.971 1.00 0.00 C ATOM 818 O GLY A 52 14.825 7.106 4.066 1.00 0.00 O ATOM 0 H GLY A 52 13.245 3.906 6.108 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.929 6.059 5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.891 6.584 6.788 1.00 0.00 H new ATOM 822 N LEU A 53 16.199 5.795 5.150 1.00 0.00 N ATOM 823 CA LEU A 53 17.307 6.171 4.235 1.00 0.00 C ATOM 824 C LEU A 53 16.849 6.036 2.781 1.00 0.00 C ATOM 825 O LEU A 53 16.466 6.999 2.147 1.00 0.00 O ATOM 826 CB LEU A 53 18.441 5.191 4.542 1.00 0.00 C ATOM 827 CG LEU A 53 17.856 3.838 4.949 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.368 2.754 3.999 1.00 0.00 C ATOM 829 CD2 LEU A 53 18.287 3.506 6.379 1.00 0.00 C ATOM 0 H LEU A 53 16.441 5.129 5.884 1.00 0.00 H new ATOM 0 HA LEU A 53 17.627 7.204 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 19.080 5.073 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.067 5.583 5.343 1.00 0.00 H new ATOM 0 HG LEU A 53 16.768 3.883 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.951 1.790 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.062 2.990 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.456 2.709 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.870 2.542 6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.375 3.462 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.923 4.278 7.057 1.00 0.00 H new ATOM 841 N MET A 54 16.874 4.844 2.256 1.00 0.00 N ATOM 842 CA MET A 54 16.426 4.630 0.856 1.00 0.00 C ATOM 843 C MET A 54 14.902 4.587 0.825 1.00 0.00 C ATOM 844 O MET A 54 14.304 3.655 0.314 1.00 0.00 O ATOM 845 CB MET A 54 16.999 3.274 0.467 1.00 0.00 C ATOM 846 CG MET A 54 18.527 3.342 0.470 1.00 0.00 C ATOM 847 SD MET A 54 19.205 1.694 0.154 1.00 0.00 S ATOM 848 CE MET A 54 20.706 2.228 -0.705 1.00 0.00 C ATOM 0 H MET A 54 17.188 4.004 2.741 1.00 0.00 H new ATOM 0 HA MET A 54 16.753 5.418 0.178 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.658 2.510 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.640 2.986 -0.521 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.872 4.041 -0.292 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.883 3.715 1.430 1.00 0.00 H new ATOM 0 HE1 MET A 54 21.288 1.354 -0.997 1.00 0.00 H new ATOM 0 HE2 MET A 54 20.434 2.796 -1.594 1.00 0.00 H new ATOM 0 HE3 MET A 54 21.301 2.855 -0.042 1.00 0.00 H new ATOM 858 N ALA A 55 14.262 5.601 1.349 1.00 0.00 N ATOM 859 CA ALA A 55 12.775 5.552 1.384 1.00 0.00 C ATOM 860 C ALA A 55 12.192 6.375 0.231 1.00 0.00 C ATOM 861 O ALA A 55 12.115 7.574 0.233 1.00 0.00 O ATOM 862 CB ALA A 55 12.439 6.276 2.715 1.00 0.00 C ATOM 0 H ALA A 55 14.692 6.438 1.743 1.00 0.00 H new ATOM 0 HA ALA A 55 12.382 4.538 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.358 6.302 2.852 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.897 5.740 3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.826 7.295 2.683 1.00 0.00 H new ATOM 868 N VAL A 56 11.735 5.661 -0.788 1.00 0.00 N ATOM 869 CA VAL A 56 11.129 6.344 -1.962 1.00 0.00 C ATOM 870 C VAL A 56 10.000 5.492 -2.567 1.00 0.00 C ATOM 871 O VAL A 56 8.837 5.784 -2.332 1.00 0.00 O ATOM 872 CB VAL A 56 12.276 6.551 -2.954 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.708 6.733 -4.365 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.059 7.806 -2.561 1.00 0.00 C ATOM 0 H VAL A 56 11.762 4.643 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 56 10.671 7.295 -1.689 1.00 0.00 H new ATOM 0 HB VAL A 56 12.934 5.682 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.526 6.880 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.142 5.845 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.052 7.603 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.878 7.959 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.396 8.671 -2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.462 7.683 -1.556 1.00 0.00 H new ATOM 884 N PRO A 57 10.342 4.407 -3.243 1.00 0.00 N ATOM 885 CA PRO A 57 9.264 3.561 -3.806 1.00 0.00 C ATOM 886 C PRO A 57 8.945 2.420 -2.846 1.00 0.00 C ATOM 887 O PRO A 57 9.707 1.534 -2.586 1.00 0.00 O ATOM 888 CB PRO A 57 9.986 2.927 -5.032 1.00 0.00 C ATOM 889 CG PRO A 57 11.456 2.944 -4.707 1.00 0.00 C ATOM 890 CD PRO A 57 11.686 3.955 -3.606 1.00 0.00 C ATOM 0 HA PRO A 57 8.345 4.108 -4.014 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.637 1.909 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.781 3.494 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.786 1.955 -4.390 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.038 3.206 -5.591 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.198 3.506 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.305 4.784 -3.950 1.00 0.00 H new ATOM 898 N ALA A 58 7.753 2.471 -2.269 1.00 0.00 N ATOM 899 CA ALA A 58 7.367 1.425 -1.284 1.00 0.00 C ATOM 900 C ALA A 58 5.857 1.363 -1.087 1.00 0.00 C ATOM 901 O ALA A 58 5.103 2.115 -1.674 1.00 0.00 O ATOM 902 CB ALA A 58 8.068 1.798 0.017 1.00 0.00 C ATOM 0 H ALA A 58 7.049 3.188 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 58 7.663 0.436 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.824 1.064 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.146 1.812 -0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.736 2.785 0.339 1.00 0.00 H new ATOM 908 N ILE A 59 5.420 0.462 -0.249 1.00 0.00 N ATOM 909 CA ILE A 59 3.965 0.341 0.015 1.00 0.00 C ATOM 910 C ILE A 59 3.751 0.021 1.491 1.00 0.00 C ATOM 911 O ILE A 59 4.359 -0.876 2.043 1.00 0.00 O ATOM 912 CB ILE A 59 3.534 -0.863 -0.848 1.00 0.00 C ATOM 913 CG1 ILE A 59 2.951 -0.352 -2.167 1.00 0.00 C ATOM 914 CG2 ILE A 59 2.476 -1.681 -0.104 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.882 -0.731 -3.319 1.00 0.00 C ATOM 0 H ILE A 59 6.011 -0.194 0.262 1.00 0.00 H new ATOM 0 HA ILE A 59 3.405 1.248 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 59 4.399 -1.495 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.962 -0.780 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.827 0.730 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.175 -2.530 -0.717 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.891 -2.042 0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.608 -1.054 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.466 -0.367 -4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.862 -0.282 -3.158 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.983 -1.815 -3.364 1.00 0.00 H new ATOM 927 N ALA A 60 2.832 0.713 2.134 1.00 0.00 N ATOM 928 CA ALA A 60 2.642 0.404 3.571 1.00 0.00 C ATOM 929 C ALA A 60 1.760 -0.822 3.626 1.00 0.00 C ATOM 930 O ALA A 60 0.793 -0.967 2.897 1.00 0.00 O ATOM 931 CB ALA A 60 1.882 1.633 4.144 1.00 0.00 C ATOM 0 H ALA A 60 2.237 1.442 1.740 1.00 0.00 H new ATOM 0 HA ALA A 60 3.564 0.221 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.700 1.485 5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.482 2.531 4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.930 1.746 3.626 1.00 0.00 H new ATOM 937 N ILE A 61 2.062 -1.713 4.567 1.00 0.00 N ATOM 938 CA ILE A 61 1.249 -2.949 4.533 1.00 0.00 C ATOM 939 C ILE A 61 0.046 -2.668 5.428 1.00 0.00 C ATOM 940 O ILE A 61 -0.091 -3.047 6.555 1.00 0.00 O ATOM 941 CB ILE A 61 2.194 -3.935 5.332 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.660 -3.595 5.030 1.00 0.00 C ATOM 943 CG2 ILE A 61 1.902 -5.369 4.898 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.521 -4.851 5.181 1.00 0.00 C ATOM 0 H ILE A 61 2.777 -1.635 5.290 1.00 0.00 H new ATOM 0 HA ILE A 61 0.933 -3.298 3.550 1.00 0.00 H new ATOM 0 HB ILE A 61 2.013 -3.832 6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.751 -3.199 4.018 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.011 -2.818 5.709 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.550 -6.054 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.860 -5.608 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.087 -5.470 3.829 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.561 -4.607 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.440 -5.227 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.176 -5.615 4.484 1.00 0.00 H new ATOM 956 N ASN A 62 -0.954 -2.075 4.773 1.00 0.00 N ATOM 957 CA ASN A 62 -2.230 -1.767 5.468 1.00 0.00 C ATOM 958 C ASN A 62 -2.634 -2.967 6.299 1.00 0.00 C ATOM 959 O ASN A 62 -3.419 -3.794 5.880 1.00 0.00 O ATOM 960 CB ASN A 62 -3.237 -1.492 4.363 1.00 0.00 C ATOM 961 CG ASN A 62 -3.815 -0.085 4.528 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.198 0.545 3.562 1.00 0.00 O ATOM 963 ND2 ASN A 62 -3.892 0.439 5.721 1.00 0.00 N ATOM 0 H ASN A 62 -0.921 -1.801 3.791 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.157 -0.913 6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.757 -1.586 3.389 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.038 -2.230 4.396 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.274 1.377 5.842 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.571 -0.090 6.532 1.00 0.00 H new ATOM 970 N GLY A 63 -2.069 -3.074 7.463 1.00 0.00 N ATOM 971 CA GLY A 63 -2.352 -4.223 8.357 1.00 0.00 C ATOM 972 C GLY A 63 -1.235 -4.272 9.397 1.00 0.00 C ATOM 973 O GLY A 63 -1.466 -4.449 10.575 1.00 0.00 O ATOM 0 H GLY A 63 -1.407 -2.397 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.322 -4.105 8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.390 -5.152 7.789 1.00 0.00 H new ATOM 977 N VAL A 64 -0.010 -4.104 8.955 1.00 0.00 N ATOM 978 CA VAL A 64 1.135 -4.130 9.902 1.00 0.00 C ATOM 979 C VAL A 64 2.002 -2.859 9.769 1.00 0.00 C ATOM 980 O VAL A 64 2.165 -2.128 10.725 1.00 0.00 O ATOM 981 CB VAL A 64 1.913 -5.386 9.525 1.00 0.00 C ATOM 982 CG1 VAL A 64 0.965 -6.582 9.570 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.469 -5.253 8.110 1.00 0.00 C ATOM 0 H VAL A 64 0.239 -3.950 7.978 1.00 0.00 H new ATOM 0 HA VAL A 64 0.812 -4.148 10.943 1.00 0.00 H new ATOM 0 HB VAL A 64 2.738 -5.523 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.509 -7.488 9.302 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.559 -6.687 10.576 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.149 -6.427 8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.023 -6.155 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.647 -5.117 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.135 -4.391 8.060 1.00 0.00 H new ATOM 993 N VAL A 65 2.559 -2.572 8.610 1.00 0.00 N ATOM 994 CA VAL A 65 3.405 -1.336 8.497 1.00 0.00 C ATOM 995 C VAL A 65 3.644 -0.923 7.037 1.00 0.00 C ATOM 996 O VAL A 65 2.754 -0.441 6.363 1.00 0.00 O ATOM 997 CB VAL A 65 4.735 -1.707 9.160 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.699 -0.526 9.059 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.495 -2.044 10.632 1.00 0.00 C ATOM 0 H VAL A 65 2.468 -3.125 7.758 1.00 0.00 H new ATOM 0 HA VAL A 65 2.913 -0.486 8.969 1.00 0.00 H new ATOM 0 HB VAL A 65 5.164 -2.572 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.646 -0.788 9.530 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.870 -0.285 8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.269 0.339 9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.441 -2.308 11.104 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.066 -1.179 11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.806 -2.886 10.705 1.00 0.00 H new ATOM 1009 N ARG A 66 4.851 -1.106 6.558 1.00 0.00 N ATOM 1010 CA ARG A 66 5.190 -0.710 5.154 1.00 0.00 C ATOM 1011 C ARG A 66 6.518 -1.359 4.741 1.00 0.00 C ATOM 1012 O ARG A 66 7.249 -1.873 5.563 1.00 0.00 O ATOM 1013 CB ARG A 66 5.347 0.819 5.213 1.00 0.00 C ATOM 1014 CG ARG A 66 5.336 1.399 3.798 1.00 0.00 C ATOM 1015 CD ARG A 66 4.629 2.759 3.808 1.00 0.00 C ATOM 1016 NE ARG A 66 3.902 2.824 2.510 1.00 0.00 N ATOM 1017 CZ ARG A 66 2.943 3.692 2.341 1.00 0.00 C ATOM 1018 NH1 ARG A 66 2.673 4.556 3.282 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.254 3.698 1.233 1.00 0.00 N ATOM 0 H ARG A 66 5.622 -1.516 7.084 1.00 0.00 H new ATOM 0 HA ARG A 66 4.434 -1.023 4.433 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.538 1.254 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.279 1.078 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.356 1.510 3.431 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.826 0.717 3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.942 2.840 4.650 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.345 3.576 3.901 1.00 0.00 H new ATOM 0 HE ARG A 66 4.154 2.189 1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.212 4.552 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.923 5.235 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.465 3.023 0.498 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.504 4.377 1.102 1.00 0.00 H new ATOM 1033 N PHE A 67 6.819 -1.380 3.465 1.00 0.00 N ATOM 1034 CA PHE A 67 8.083 -2.040 3.013 1.00 0.00 C ATOM 1035 C PHE A 67 8.698 -1.300 1.819 1.00 0.00 C ATOM 1036 O PHE A 67 8.156 -0.335 1.324 1.00 0.00 O ATOM 1037 CB PHE A 67 7.664 -3.444 2.594 1.00 0.00 C ATOM 1038 CG PHE A 67 7.478 -3.503 1.095 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.930 -2.413 0.405 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.850 -4.654 0.395 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.756 -2.478 -0.982 1.00 0.00 C ATOM 1042 CE2 PHE A 67 7.677 -4.716 -0.992 1.00 0.00 C ATOM 1043 CZ PHE A 67 7.130 -3.629 -1.680 1.00 0.00 C ATOM 0 H PHE A 67 6.250 -0.973 2.723 1.00 0.00 H new ATOM 0 HA PHE A 67 8.837 -2.043 3.801 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.420 -4.165 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.736 -3.720 3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.642 -1.523 0.944 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.271 -5.496 0.925 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.333 -1.638 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.967 -5.605 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.997 -3.679 -2.751 1.00 0.00 H new ATOM 1053 N VAL A 68 9.842 -1.744 1.366 1.00 0.00 N ATOM 1054 CA VAL A 68 10.494 -1.101 0.191 1.00 0.00 C ATOM 1055 C VAL A 68 9.999 -1.754 -1.098 1.00 0.00 C ATOM 1056 O VAL A 68 10.241 -2.930 -1.325 1.00 0.00 O ATOM 1057 CB VAL A 68 11.985 -1.301 0.377 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.723 -0.682 -0.808 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.436 -0.621 1.673 1.00 0.00 C ATOM 0 H VAL A 68 10.355 -2.531 1.764 1.00 0.00 H new ATOM 0 HA VAL A 68 10.256 -0.040 0.119 1.00 0.00 H new ATOM 0 HB VAL A 68 12.209 -2.366 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.797 -0.822 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.400 -1.165 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.500 0.384 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.508 -0.766 1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.217 0.446 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.904 -1.058 2.518 1.00 0.00 H new ATOM 1069 N GLY A 69 9.328 -1.030 -1.933 1.00 0.00 N ATOM 1070 CA GLY A 69 8.831 -1.634 -3.201 1.00 0.00 C ATOM 1071 C GLY A 69 8.435 -0.540 -4.195 1.00 0.00 C ATOM 1072 O GLY A 69 7.600 0.291 -3.912 1.00 0.00 O ATOM 0 H GLY A 69 9.098 -0.045 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.604 -2.267 -3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.973 -2.274 -2.994 1.00 0.00 H new ATOM 1076 N ALA A 70 9.004 -0.544 -5.368 1.00 0.00 N ATOM 1077 CA ALA A 70 8.621 0.486 -6.369 1.00 0.00 C ATOM 1078 C ALA A 70 7.521 -0.086 -7.263 1.00 0.00 C ATOM 1079 O ALA A 70 6.356 0.197 -7.062 1.00 0.00 O ATOM 1080 CB ALA A 70 9.892 0.780 -7.163 1.00 0.00 C ATOM 0 H ALA A 70 9.712 -1.211 -5.674 1.00 0.00 H new ATOM 0 HA ALA A 70 8.234 1.400 -5.918 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.681 1.534 -7.921 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.665 1.150 -6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.239 -0.133 -7.646 1.00 0.00 H new ATOM 1086 N PRO A 71 7.916 -0.912 -8.199 1.00 0.00 N ATOM 1087 CA PRO A 71 6.926 -1.545 -9.088 1.00 0.00 C ATOM 1088 C PRO A 71 6.271 -2.713 -8.360 1.00 0.00 C ATOM 1089 O PRO A 71 5.677 -3.591 -8.972 1.00 0.00 O ATOM 1090 CB PRO A 71 7.767 -2.061 -10.252 1.00 0.00 C ATOM 1091 CG PRO A 71 9.137 -2.262 -9.681 1.00 0.00 C ATOM 1092 CD PRO A 71 9.290 -1.307 -8.524 1.00 0.00 C ATOM 0 HA PRO A 71 6.132 -0.870 -9.406 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.364 -2.993 -10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.783 -1.346 -11.075 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.266 -3.292 -9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.899 -2.074 -10.437 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.778 -1.785 -7.675 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.898 -0.445 -8.797 1.00 0.00 H new ATOM 1100 N SER A 72 6.335 -2.727 -7.043 1.00 0.00 N ATOM 1101 CA SER A 72 5.700 -3.876 -6.333 1.00 0.00 C ATOM 1102 C SER A 72 4.374 -3.440 -5.717 1.00 0.00 C ATOM 1103 O SER A 72 4.221 -3.201 -4.547 1.00 0.00 O ATOM 1104 CB SER A 72 6.700 -4.153 -5.167 1.00 0.00 C ATOM 1105 OG SER A 72 7.238 -2.919 -4.681 1.00 0.00 O ATOM 0 H SER A 72 6.781 -2.022 -6.456 1.00 0.00 H new ATOM 0 HA SER A 72 5.509 -4.727 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.193 -4.681 -4.360 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.506 -4.799 -5.514 1.00 0.00 H new ATOM 0 HG SER A 72 6.527 -2.398 -4.254 1.00 0.00 H new ATOM 1111 N ARG A 73 3.349 -3.426 -6.545 1.00 0.00 N ATOM 1112 CA ARG A 73 1.985 -3.080 -6.064 1.00 0.00 C ATOM 1113 C ARG A 73 1.354 -4.283 -5.375 1.00 0.00 C ATOM 1114 O ARG A 73 0.631 -4.158 -4.412 1.00 0.00 O ATOM 1115 CB ARG A 73 1.201 -2.669 -7.306 1.00 0.00 C ATOM 1116 CG ARG A 73 1.873 -1.462 -7.965 1.00 0.00 C ATOM 1117 CD ARG A 73 1.113 -1.089 -9.240 1.00 0.00 C ATOM 1118 NE ARG A 73 2.164 -0.650 -10.199 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.065 -0.962 -11.462 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.576 -2.080 -11.901 1.00 0.00 N ATOM 1121 NH2 ARG A 73 1.457 -0.154 -12.287 1.00 0.00 N ATOM 0 H ARG A 73 3.410 -3.643 -7.540 1.00 0.00 H new ATOM 0 HA ARG A 73 1.997 -2.274 -5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.154 -3.500 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.174 -2.423 -7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.885 -0.618 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.911 -1.695 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.554 -1.940 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.393 -0.293 -9.052 1.00 0.00 H new ATOM 0 HE ARG A 73 2.961 -0.106 -9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.053 -2.710 -11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.498 -2.323 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.060 0.721 -11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.379 -0.397 -13.275 1.00 0.00 H new ATOM 1135 N GLU A 74 1.621 -5.459 -5.875 1.00 0.00 N ATOM 1136 CA GLU A 74 1.049 -6.687 -5.257 1.00 0.00 C ATOM 1137 C GLU A 74 1.315 -6.679 -3.752 1.00 0.00 C ATOM 1138 O GLU A 74 0.612 -7.303 -2.982 1.00 0.00 O ATOM 1139 CB GLU A 74 1.753 -7.854 -5.935 1.00 0.00 C ATOM 1140 CG GLU A 74 0.729 -8.933 -6.294 1.00 0.00 C ATOM 1141 CD GLU A 74 1.418 -10.298 -6.335 1.00 0.00 C ATOM 1142 OE1 GLU A 74 2.464 -10.392 -6.956 1.00 0.00 O ATOM 1143 OE2 GLU A 74 0.889 -11.225 -5.745 1.00 0.00 O ATOM 0 H GLU A 74 2.214 -5.622 -6.689 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.031 -6.754 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.265 -7.510 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.514 -8.267 -5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.077 -8.943 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.277 -8.713 -7.261 1.00 0.00 H new ATOM 1150 N GLU A 75 2.342 -5.993 -3.330 1.00 0.00 N ATOM 1151 CA GLU A 75 2.655 -5.956 -1.879 1.00 0.00 C ATOM 1152 C GLU A 75 1.413 -5.511 -1.108 1.00 0.00 C ATOM 1153 O GLU A 75 1.038 -6.112 -0.119 1.00 0.00 O ATOM 1154 CB GLU A 75 3.770 -4.920 -1.745 1.00 0.00 C ATOM 1155 CG GLU A 75 5.053 -5.621 -1.298 1.00 0.00 C ATOM 1156 CD GLU A 75 5.365 -5.238 0.149 1.00 0.00 C ATOM 1157 OE1 GLU A 75 5.041 -4.125 0.529 1.00 0.00 O ATOM 1158 OE2 GLU A 75 5.922 -6.064 0.853 1.00 0.00 O ATOM 0 H GLU A 75 2.974 -5.459 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 75 2.957 -6.926 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.930 -4.414 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.488 -4.155 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.938 -6.702 -1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.881 -5.336 -1.947 1.00 0.00 H new ATOM 1165 N LEU A 76 0.763 -4.478 -1.563 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.469 -4.018 -0.866 1.00 0.00 C ATOM 1167 C LEU A 76 -1.496 -5.145 -0.877 1.00 0.00 C ATOM 1168 O LEU A 76 -2.157 -5.412 0.107 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.976 -2.828 -1.678 1.00 0.00 C ATOM 1170 CG LEU A 76 0.198 -1.928 -2.060 1.00 0.00 C ATOM 1171 CD1 LEU A 76 0.376 -1.935 -3.579 1.00 0.00 C ATOM 1172 CD2 LEU A 76 -0.084 -0.499 -1.587 1.00 0.00 C ATOM 0 H LEU A 76 1.030 -3.934 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.286 -3.741 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.485 -3.178 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.706 -2.264 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 76 1.108 -2.297 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.214 -1.293 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.574 -2.952 -3.917 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.533 -1.565 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.752 0.146 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.994 -0.132 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.211 -0.492 -0.504 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.626 -5.820 -1.988 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.603 -6.938 -2.061 1.00 0.00 C ATOM 1186 C PHE A 77 -2.277 -7.982 -0.989 1.00 0.00 C ATOM 1187 O PHE A 77 -3.148 -8.612 -0.429 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.430 -7.529 -3.465 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.262 -9.027 -3.365 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -1.097 -9.565 -2.807 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -3.273 -9.877 -3.829 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -0.941 -10.952 -2.713 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -3.117 -11.266 -3.735 1.00 0.00 C ATOM 1194 CZ PHE A 77 -1.951 -11.804 -3.178 1.00 0.00 C ATOM 0 H PHE A 77 -1.099 -5.644 -2.843 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.628 -6.610 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.297 -7.290 -4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.561 -7.087 -3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.318 -8.909 -2.449 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.173 -9.462 -4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.042 -11.366 -2.282 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.897 -11.922 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.830 -12.875 -3.107 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.022 -8.162 -0.701 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.609 -9.140 0.341 1.00 0.00 C ATOM 1206 C GLU A 78 -0.745 -8.517 1.732 1.00 0.00 C ATOM 1207 O GLU A 78 -0.916 -9.203 2.721 1.00 0.00 O ATOM 1208 CB GLU A 78 0.833 -9.503 0.022 1.00 0.00 C ATOM 1209 CG GLU A 78 1.273 -10.673 0.904 1.00 0.00 C ATOM 1210 CD GLU A 78 2.570 -11.266 0.352 1.00 0.00 C ATOM 1211 OE1 GLU A 78 3.444 -10.495 -0.010 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.669 -12.481 0.301 1.00 0.00 O ATOM 0 H GLU A 78 -0.252 -7.666 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.237 -10.031 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.927 -9.772 -1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.481 -8.643 0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.423 -10.334 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.494 -11.435 0.931 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.627 -7.219 1.820 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.724 -6.555 3.150 1.00 0.00 C ATOM 1221 C ALA A 79 -2.182 -6.533 3.608 1.00 0.00 C ATOM 1222 O ALA A 79 -2.478 -6.729 4.768 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.210 -5.133 2.926 1.00 0.00 C ATOM 0 H ALA A 79 -0.468 -6.593 1.031 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.150 -7.073 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.251 -4.579 3.864 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.820 -5.170 2.571 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.832 -4.634 2.183 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.097 -6.321 2.706 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.532 -6.314 3.098 1.00 0.00 C ATOM 1231 C ILE A 80 -4.913 -7.701 3.615 1.00 0.00 C ATOM 1232 O ILE A 80 -5.643 -7.842 4.572 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.303 -5.965 1.828 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.283 -4.448 1.622 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.750 -6.441 1.963 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.898 -4.017 1.134 1.00 0.00 C ATOM 0 H ILE A 80 -2.914 -6.153 1.717 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.752 -5.599 3.891 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.837 -6.455 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.042 -4.159 0.895 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.526 -3.940 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.301 -6.192 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.765 -7.521 2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.216 -5.950 2.817 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.884 -2.937 0.987 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.149 -4.292 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.674 -4.514 0.190 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.418 -8.730 2.984 1.00 0.00 N ATOM 1249 CA ASN A 81 -4.727 -10.121 3.435 1.00 0.00 C ATOM 1250 C ASN A 81 -3.925 -10.409 4.691 1.00 0.00 C ATOM 1251 O ASN A 81 -4.402 -11.077 5.612 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.324 -11.032 2.299 1.00 0.00 C ATOM 1253 CG ASN A 81 -3.030 -11.759 2.673 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -3.064 -12.817 3.268 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -1.882 -11.231 2.347 1.00 0.00 N ATOM 0 H ASN A 81 -3.808 -8.669 2.169 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.781 -10.266 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.116 -11.754 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.180 -10.454 1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.014 -11.707 2.592 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.853 -10.342 1.847 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.720 -9.840 4.797 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.003 -10.201 6.041 1.00 0.00 C ATOM 1264 C ASP A 82 -2.357 -9.152 7.082 1.00 0.00 C ATOM 1265 O ASP A 82 -2.268 -9.409 8.282 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.506 -9.782 5.634 1.00 0.00 C ATOM 1267 CG ASP A 82 0.232 -9.183 6.848 1.00 0.00 C ATOM 1268 OD1 ASP A 82 0.150 -9.785 7.904 1.00 0.00 O ATOM 1269 OD2 ASP A 82 0.856 -8.143 6.701 1.00 0.00 O ATOM 0 H ASP A 82 -2.261 -9.210 4.140 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.185 -11.218 6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.035 -10.653 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.533 -9.056 4.822 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.119 -8.161 6.685 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.716 -7.207 7.650 1.00 0.00 C ATOM 1276 C GLU A 83 -4.976 -7.799 8.244 1.00 0.00 C ATOM 1277 O GLU A 83 -5.084 -7.988 9.443 1.00 0.00 O ATOM 1278 CB GLU A 83 -4.054 -5.979 6.788 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.859 -4.965 7.610 1.00 0.00 C ATOM 1280 CD GLU A 83 -4.917 -5.405 9.075 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -3.878 -5.747 9.613 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.002 -5.394 9.634 1.00 0.00 O ATOM 0 H GLU A 83 -3.352 -7.976 5.709 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.055 -6.967 8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.137 -5.517 6.423 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.626 -6.286 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.400 -3.979 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.868 -4.878 7.208 1.00 0.00 H new ATOM 1289 N MET A 84 -5.931 -8.106 7.415 1.00 0.00 N ATOM 1290 CA MET A 84 -7.200 -8.704 7.924 1.00 0.00 C ATOM 1291 C MET A 84 -6.951 -10.123 8.443 1.00 0.00 C ATOM 1292 O MET A 84 -7.776 -10.697 9.126 1.00 0.00 O ATOM 1293 CB MET A 84 -8.132 -8.737 6.708 1.00 0.00 C ATOM 1294 CG MET A 84 -8.081 -10.120 6.052 1.00 0.00 C ATOM 1295 SD MET A 84 -7.980 -9.932 4.253 1.00 0.00 S ATOM 1296 CE MET A 84 -9.364 -11.018 3.826 1.00 0.00 C ATOM 0 H MET A 84 -5.890 -7.970 6.405 1.00 0.00 H new ATOM 0 HA MET A 84 -7.621 -8.134 8.752 1.00 0.00 H new ATOM 0 HB2 MET A 84 -9.153 -8.507 7.014 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.835 -7.973 5.990 1.00 0.00 H new ATOM 0 HG2 MET A 84 -7.219 -10.677 6.419 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.968 -10.694 6.319 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.158 -11.515 2.878 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.493 -11.767 4.607 1.00 0.00 H new ATOM 0 HE3 MET A 84 -10.276 -10.427 3.735 1.00 0.00 H new ATOM 1306 N GLU A 85 -5.817 -10.688 8.135 1.00 0.00 N ATOM 1307 CA GLU A 85 -5.516 -12.067 8.616 1.00 0.00 C ATOM 1308 C GLU A 85 -4.102 -12.126 9.201 1.00 0.00 C ATOM 1309 O GLU A 85 -3.159 -12.008 8.435 1.00 0.00 O ATOM 1310 CB GLU A 85 -5.619 -12.952 7.373 1.00 0.00 C ATOM 1311 CG GLU A 85 -6.237 -14.298 7.754 1.00 0.00 C ATOM 1312 CD GLU A 85 -5.128 -15.338 7.932 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -4.067 -15.146 7.363 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -5.361 -16.308 8.633 1.00 0.00 O ATOM 1315 OXT GLU A 85 -3.987 -12.287 10.404 1.00 0.00 O ATOM 0 H GLU A 85 -5.085 -10.255 7.571 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.199 -12.388 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.229 -12.462 6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.631 -13.104 6.939 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.809 -14.199 8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.933 -14.622 6.981 1.00 0.00 H new TER 1322 GLU A 85