USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 656 hydrogens (32 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 NoAdj-H: A 81 HEC HAC : A 81 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC HAB : A 81 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 81 HEC H2D : A 81 HEC O2D : A 81 HEC CGD :(short bond) USER MOD NoAdj-H: A 81 HEC H2A : A 81 HEC O2A : A 81 HEC CGA :(short bond) USER MOD Set 1.1: A 59 MET CE :methyl -144:sc= -1.55 (180deg=-0.413) USER MOD Set 1.2: A 62 GLN : amide:sc= -5.39! C(o=-6.9!,f=-8.8!) USER MOD Set 2.1: A 1 ASN N :NH3+ -115:sc= 0.119 (180deg=0) USER MOD Set 2.2: A 71 GLN : amide:sc= -1.5 K(o=-1.4,f=-4.5!) USER MOD Single : A 1 ASN : amide:sc= -0.0339 K(o=-0.034,f=-1.9!) USER MOD Single : A 3 GLN : amide:sc= -0.0322 K(o=-0.032,f=-0.93) USER MOD Single : A 6 LYS NZ :NH3+ 152:sc= -0.0333 (180deg=-0.351) USER MOD Single : A 7 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.18) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -160:sc= 0 (180deg=-0.193) USER MOD Single : A 14 HIS : no HE2:sc= -2.9! C(o=-2.9!,f=-9.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 165:sc= -0.763 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot -81:sc= -1.43 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0108 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 63 ASN : amide:sc= 0.00597 X(o=0.006,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00129 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 66.275 -10.686 5.047 1.00 0.00 N ATOM 2 CA ASN A 1 65.102 -11.205 5.805 1.00 0.00 C ATOM 3 C ASN A 1 64.410 -10.045 6.521 1.00 0.00 C ATOM 4 O ASN A 1 64.805 -8.903 6.397 1.00 0.00 O ATOM 5 CB ASN A 1 65.575 -12.233 6.837 1.00 0.00 C ATOM 6 CG ASN A 1 65.846 -13.569 6.143 1.00 0.00 C ATOM 7 OD1 ASN A 1 65.731 -13.677 4.939 1.00 0.00 O ATOM 8 ND2 ASN A 1 66.207 -14.599 6.858 1.00 0.00 N ATOM 0 H1 ASN A 1 66.116 -10.818 4.028 1.00 0.00 H new ATOM 0 H2 ASN A 1 66.399 -9.673 5.250 1.00 0.00 H new ATOM 0 H3 ASN A 1 67.130 -11.204 5.334 1.00 0.00 H new ATOM 0 HA ASN A 1 64.402 -11.679 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 1 66.480 -11.878 7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 1 64.818 -12.361 7.611 1.00 0.00 H new ATOM 0 HD21 ASN A 1 66.392 -15.494 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 1 66.304 -14.509 7.869 1.00 0.00 H new ATOM 17 N GLU A 2 63.380 -10.328 7.268 1.00 0.00 N ATOM 18 CA GLU A 2 62.665 -9.240 7.989 1.00 0.00 C ATOM 19 C GLU A 2 63.052 -9.268 9.469 1.00 0.00 C ATOM 20 O GLU A 2 62.408 -9.906 10.278 1.00 0.00 O ATOM 21 CB GLU A 2 61.155 -9.443 7.849 1.00 0.00 C ATOM 22 CG GLU A 2 60.432 -8.141 8.196 1.00 0.00 C ATOM 23 CD GLU A 2 58.930 -8.406 8.311 1.00 0.00 C ATOM 24 OE1 GLU A 2 58.552 -9.198 9.159 1.00 0.00 O ATOM 25 OE2 GLU A 2 58.184 -7.815 7.549 1.00 0.00 O ATOM 0 H GLU A 2 63.003 -11.265 7.410 1.00 0.00 H new ATOM 0 HA GLU A 2 62.942 -8.276 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 2 60.911 -9.747 6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.822 -10.244 8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 2 60.814 -7.740 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 2 60.622 -7.391 7.428 1.00 0.00 H new ATOM 32 N GLN A 3 64.101 -8.579 9.831 1.00 0.00 N ATOM 33 CA GLN A 3 64.529 -8.563 11.256 1.00 0.00 C ATOM 34 C GLN A 3 65.776 -7.694 11.406 1.00 0.00 C ATOM 35 O GLN A 3 65.850 -6.838 12.266 1.00 0.00 O ATOM 36 CB GLN A 3 64.840 -9.992 11.715 1.00 0.00 C ATOM 37 CG GLN A 3 65.605 -10.726 10.612 1.00 0.00 C ATOM 38 CD GLN A 3 65.631 -12.225 10.919 1.00 0.00 C ATOM 39 OE1 GLN A 3 64.641 -12.788 11.344 1.00 0.00 O ATOM 40 NE2 GLN A 3 66.729 -12.902 10.719 1.00 0.00 N ATOM 0 H GLN A 3 64.680 -8.026 9.199 1.00 0.00 H new ATOM 0 HA GLN A 3 63.727 -8.153 11.870 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.431 -9.971 12.630 1.00 0.00 H new ATOM 0 HB3 GLN A 3 63.915 -10.521 11.945 1.00 0.00 H new ATOM 0 HG2 GLN A 3 65.130 -10.550 9.647 1.00 0.00 H new ATOM 0 HG3 GLN A 3 66.622 -10.341 10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 3 67.561 -12.431 10.362 1.00 0.00 H new ATOM 0 HE22 GLN A 3 66.755 -13.902 10.919 1.00 0.00 H new ATOM 49 N LEU A 4 66.758 -7.904 10.577 1.00 0.00 N ATOM 50 CA LEU A 4 68.001 -7.089 10.670 1.00 0.00 C ATOM 51 C LEU A 4 67.705 -5.654 10.229 1.00 0.00 C ATOM 52 O LEU A 4 68.293 -4.710 10.719 1.00 0.00 O ATOM 53 CB LEU A 4 69.079 -7.689 9.765 1.00 0.00 C ATOM 54 CG LEU A 4 68.552 -7.779 8.333 1.00 0.00 C ATOM 55 CD1 LEU A 4 69.104 -6.615 7.509 1.00 0.00 C ATOM 56 CD2 LEU A 4 69.000 -9.103 7.709 1.00 0.00 C ATOM 0 H LEU A 4 66.754 -8.606 9.837 1.00 0.00 H new ATOM 0 HA LEU A 4 68.355 -7.087 11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 4 69.978 -7.073 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 4 69.359 -8.679 10.123 1.00 0.00 H new ATOM 0 HG LEU A 4 67.463 -7.730 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 4 68.727 -6.681 6.488 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.786 -5.672 7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 4 70.193 -6.662 7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 4 68.625 -9.169 6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.089 -9.151 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 4 68.605 -9.933 8.295 1.00 0.00 H new ATOM 68 N ALA A 5 66.799 -5.481 9.304 1.00 0.00 N ATOM 69 CA ALA A 5 66.468 -4.107 8.832 1.00 0.00 C ATOM 70 C ALA A 5 65.639 -3.385 9.896 1.00 0.00 C ATOM 71 O ALA A 5 65.552 -2.172 9.911 1.00 0.00 O ATOM 72 CB ALA A 5 65.663 -4.194 7.534 1.00 0.00 C ATOM 0 H ALA A 5 66.274 -6.232 8.856 1.00 0.00 H new ATOM 0 HA ALA A 5 67.390 -3.554 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 5 65.421 -3.189 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 5 66.252 -4.707 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 5 64.742 -4.748 7.714 1.00 0.00 H new ATOM 78 N LYS A 6 65.026 -4.117 10.784 1.00 0.00 N ATOM 79 CA LYS A 6 64.203 -3.467 11.841 1.00 0.00 C ATOM 80 C LYS A 6 65.111 -2.990 12.976 1.00 0.00 C ATOM 81 O LYS A 6 65.032 -1.859 13.416 1.00 0.00 O ATOM 82 CB LYS A 6 63.193 -4.476 12.390 1.00 0.00 C ATOM 83 CG LYS A 6 61.789 -3.871 12.347 1.00 0.00 C ATOM 84 CD LYS A 6 61.386 -3.416 13.750 1.00 0.00 C ATOM 85 CE LYS A 6 60.191 -4.240 14.232 1.00 0.00 C ATOM 86 NZ LYS A 6 60.574 -5.679 14.296 1.00 0.00 N ATOM 0 H LYS A 6 65.059 -5.136 10.823 1.00 0.00 H new ATOM 0 HA LYS A 6 63.674 -2.614 11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.223 -5.393 11.801 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.453 -4.746 13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 6 61.767 -3.026 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.076 -4.606 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 6 62.224 -3.535 14.437 1.00 0.00 H new ATOM 0 HD3 LYS A 6 61.130 -2.356 13.740 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.869 -3.894 15.214 1.00 0.00 H new ATOM 0 HE3 LYS A 6 59.347 -4.107 13.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 60.005 -6.158 15.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 60.403 -6.125 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 61.582 -5.759 14.538 1.00 0.00 H new ATOM 100 N GLN A 7 65.969 -3.845 13.455 1.00 0.00 N ATOM 101 CA GLN A 7 66.879 -3.447 14.563 1.00 0.00 C ATOM 102 C GLN A 7 67.830 -2.348 14.086 1.00 0.00 C ATOM 103 O GLN A 7 68.340 -1.573 14.871 1.00 0.00 O ATOM 104 CB GLN A 7 67.690 -4.664 15.010 1.00 0.00 C ATOM 105 CG GLN A 7 67.112 -5.211 16.316 1.00 0.00 C ATOM 106 CD GLN A 7 68.242 -5.780 17.176 1.00 0.00 C ATOM 107 OE1 GLN A 7 68.126 -6.863 17.713 1.00 0.00 O ATOM 108 NE2 GLN A 7 69.339 -5.090 17.328 1.00 0.00 N ATOM 0 H GLN A 7 66.080 -4.804 13.126 1.00 0.00 H new ATOM 0 HA GLN A 7 66.288 -3.070 15.398 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.666 -5.434 14.239 1.00 0.00 H new ATOM 0 HB3 GLN A 7 68.735 -4.386 15.150 1.00 0.00 H new ATOM 0 HG2 GLN A 7 66.593 -4.419 16.856 1.00 0.00 H new ATOM 0 HG3 GLN A 7 66.376 -5.987 16.104 1.00 0.00 H new ATOM 0 HE21 GLN A 7 69.436 -4.180 16.877 1.00 0.00 H new ATOM 0 HE22 GLN A 7 70.100 -5.460 17.898 1.00 0.00 H new ATOM 117 N LYS A 8 68.079 -2.275 12.808 1.00 0.00 N ATOM 118 CA LYS A 8 69.002 -1.228 12.289 1.00 0.00 C ATOM 119 C LYS A 8 68.326 0.143 12.374 1.00 0.00 C ATOM 120 O LYS A 8 68.868 1.078 12.928 1.00 0.00 O ATOM 121 CB LYS A 8 69.357 -1.534 10.832 1.00 0.00 C ATOM 122 CG LYS A 8 70.877 -1.648 10.691 1.00 0.00 C ATOM 123 CD LYS A 8 71.420 -2.603 11.756 1.00 0.00 C ATOM 124 CE LYS A 8 72.604 -3.385 11.186 1.00 0.00 C ATOM 125 NZ LYS A 8 72.114 -4.650 10.567 1.00 0.00 N ATOM 0 H LYS A 8 67.683 -2.895 12.101 1.00 0.00 H new ATOM 0 HA LYS A 8 69.911 -1.220 12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 8 68.881 -2.463 10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.979 -0.746 10.181 1.00 0.00 H new ATOM 0 HG2 LYS A 8 71.134 -2.012 9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.337 -0.666 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 8 71.732 -2.042 12.637 1.00 0.00 H new ATOM 0 HD3 LYS A 8 70.637 -3.290 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 8 73.127 -2.783 10.443 1.00 0.00 H new ATOM 0 HE3 LYS A 8 73.320 -3.608 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 72.919 -5.182 10.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 71.634 -5.226 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 71.447 -4.426 9.802 1.00 0.00 H new ATOM 139 N GLY A 9 67.144 0.269 11.835 1.00 0.00 N ATOM 140 CA GLY A 9 66.439 1.582 11.891 1.00 0.00 C ATOM 141 C GLY A 9 66.016 2.003 10.483 1.00 0.00 C ATOM 142 O GLY A 9 66.398 3.050 9.996 1.00 0.00 O ATOM 0 H GLY A 9 66.637 -0.478 11.360 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.564 1.508 12.537 1.00 0.00 H new ATOM 0 HA3 GLY A 9 67.093 2.338 12.326 1.00 0.00 H new ATOM 146 N CYS A 10 65.227 1.199 9.825 1.00 0.00 N ATOM 147 CA CYS A 10 64.776 1.554 8.450 1.00 0.00 C ATOM 148 C CYS A 10 63.270 1.822 8.461 1.00 0.00 C ATOM 149 O CYS A 10 62.779 2.699 7.778 1.00 0.00 O ATOM 150 CB CYS A 10 65.079 0.393 7.499 1.00 0.00 C ATOM 151 SG CYS A 10 66.761 -0.212 7.792 1.00 0.00 S ATOM 0 H CYS A 10 64.875 0.310 10.181 1.00 0.00 H new ATOM 0 HA CYS A 10 65.302 2.447 8.114 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.361 -0.412 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 10 64.975 0.721 6.465 1.00 0.00 H new ATOM 156 N MET A 11 62.530 1.069 9.230 1.00 0.00 N ATOM 157 CA MET A 11 61.055 1.275 9.284 1.00 0.00 C ATOM 158 C MET A 11 60.744 2.648 9.884 1.00 0.00 C ATOM 159 O MET A 11 59.632 3.131 9.805 1.00 0.00 O ATOM 160 CB MET A 11 60.422 0.187 10.153 1.00 0.00 C ATOM 161 CG MET A 11 60.252 -1.089 9.328 1.00 0.00 C ATOM 162 SD MET A 11 58.567 -1.160 8.672 1.00 0.00 S ATOM 163 CE MET A 11 58.758 -2.691 7.728 1.00 0.00 C ATOM 0 H MET A 11 62.885 0.319 9.824 1.00 0.00 H new ATOM 0 HA MET A 11 60.648 1.223 8.274 1.00 0.00 H new ATOM 0 HB2 MET A 11 61.049 -0.010 11.022 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.455 0.522 10.527 1.00 0.00 H new ATOM 0 HG2 MET A 11 60.973 -1.106 8.511 1.00 0.00 H new ATOM 0 HG3 MET A 11 60.451 -1.964 9.946 1.00 0.00 H new ATOM 0 HE1 MET A 11 57.979 -2.749 6.968 1.00 0.00 H new ATOM 0 HE2 MET A 11 59.736 -2.702 7.247 1.00 0.00 H new ATOM 0 HE3 MET A 11 58.674 -3.545 8.400 1.00 0.00 H new ATOM 173 N ALA A 12 61.713 3.279 10.489 1.00 0.00 N ATOM 174 CA ALA A 12 61.466 4.618 11.096 1.00 0.00 C ATOM 175 C ALA A 12 60.934 5.574 10.028 1.00 0.00 C ATOM 176 O ALA A 12 60.160 6.467 10.311 1.00 0.00 O ATOM 177 CB ALA A 12 62.775 5.168 11.666 1.00 0.00 C ATOM 0 H ALA A 12 62.665 2.926 10.589 1.00 0.00 H new ATOM 0 HA ALA A 12 60.732 4.524 11.896 1.00 0.00 H new ATOM 0 HB1 ALA A 12 62.596 6.147 12.110 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.154 4.488 12.429 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.509 5.262 10.866 1.00 0.00 H new ATOM 183 N CYS A 13 61.340 5.394 8.802 1.00 0.00 N ATOM 184 CA CYS A 13 60.858 6.292 7.717 1.00 0.00 C ATOM 185 C CYS A 13 60.299 5.450 6.567 1.00 0.00 C ATOM 186 O CYS A 13 60.161 5.917 5.454 1.00 0.00 O ATOM 187 CB CYS A 13 62.023 7.140 7.200 1.00 0.00 C ATOM 188 SG CYS A 13 62.957 7.817 8.598 1.00 0.00 S ATOM 0 H CYS A 13 61.986 4.663 8.505 1.00 0.00 H new ATOM 0 HA CYS A 13 60.076 6.943 8.108 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.677 6.533 6.574 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.646 7.950 6.576 1.00 0.00 H new ATOM 193 N HIS A 14 59.978 4.210 6.824 1.00 0.00 N ATOM 194 CA HIS A 14 59.433 3.346 5.739 1.00 0.00 C ATOM 195 C HIS A 14 58.249 2.533 6.270 1.00 0.00 C ATOM 196 O HIS A 14 57.813 2.709 7.389 1.00 0.00 O ATOM 197 CB HIS A 14 60.523 2.391 5.253 1.00 0.00 C ATOM 198 CG HIS A 14 61.369 3.083 4.218 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.082 3.010 2.865 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.491 3.865 4.322 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.012 3.731 2.214 1.00 0.00 C ATOM 202 NE2 HIS A 14 62.896 4.274 3.055 1.00 0.00 N ATOM 0 H HIS A 14 60.069 3.760 7.735 1.00 0.00 H new ATOM 0 HA HIS A 14 59.100 3.974 4.913 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.143 2.072 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.073 1.493 4.830 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.306 2.502 2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 14 62.985 4.124 5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.041 3.856 1.142 1.00 0.00 H new ATOM 210 N ASP A 15 57.727 1.642 5.469 1.00 0.00 N ATOM 211 CA ASP A 15 56.573 0.815 5.919 1.00 0.00 C ATOM 212 C ASP A 15 55.918 0.156 4.704 1.00 0.00 C ATOM 213 O ASP A 15 55.518 0.819 3.768 1.00 0.00 O ATOM 214 CB ASP A 15 55.551 1.705 6.630 1.00 0.00 C ATOM 215 CG ASP A 15 55.439 1.283 8.095 1.00 0.00 C ATOM 216 OD1 ASP A 15 56.276 1.702 8.878 1.00 0.00 O ATOM 217 OD2 ASP A 15 54.516 0.549 8.411 1.00 0.00 O ATOM 0 H ASP A 15 58.052 1.452 4.521 1.00 0.00 H new ATOM 0 HA ASP A 15 56.923 0.046 6.607 1.00 0.00 H new ATOM 0 HB2 ASP A 15 55.854 2.750 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.580 1.623 6.142 1.00 0.00 H new ATOM 222 N LEU A 16 55.805 -1.144 4.708 1.00 0.00 N ATOM 223 CA LEU A 16 55.178 -1.843 3.550 1.00 0.00 C ATOM 224 C LEU A 16 53.926 -1.091 3.112 1.00 0.00 C ATOM 225 O LEU A 16 53.769 -0.746 1.957 1.00 0.00 O ATOM 226 CB LEU A 16 54.783 -3.259 3.959 1.00 0.00 C ATOM 227 CG LEU A 16 56.027 -4.026 4.407 1.00 0.00 C ATOM 228 CD1 LEU A 16 55.646 -5.468 4.745 1.00 0.00 C ATOM 229 CD2 LEU A 16 57.058 -4.023 3.277 1.00 0.00 C ATOM 0 H LEU A 16 56.120 -1.753 5.463 1.00 0.00 H new ATOM 0 HA LEU A 16 55.893 -1.880 2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.053 -3.225 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.308 -3.772 3.122 1.00 0.00 H new ATOM 0 HG LEU A 16 56.451 -3.548 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.534 -6.014 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 16 54.910 -5.471 5.549 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.222 -5.949 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.946 -4.569 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 16 56.633 -4.502 2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.331 -2.996 3.036 1.00 0.00 H new ATOM 241 N LYS A 17 53.029 -0.840 4.022 1.00 0.00 N ATOM 242 CA LYS A 17 51.783 -0.118 3.655 1.00 0.00 C ATOM 243 C LYS A 17 51.557 1.040 4.630 1.00 0.00 C ATOM 244 O LYS A 17 50.457 1.269 5.092 1.00 0.00 O ATOM 245 CB LYS A 17 50.593 -1.080 3.719 1.00 0.00 C ATOM 246 CG LYS A 17 50.105 -1.387 2.301 1.00 0.00 C ATOM 247 CD LYS A 17 49.698 -2.861 2.205 1.00 0.00 C ATOM 248 CE LYS A 17 48.482 -2.996 1.287 1.00 0.00 C ATOM 249 NZ LYS A 17 47.984 -4.400 1.325 1.00 0.00 N ATOM 0 H LYS A 17 53.105 -1.104 5.004 1.00 0.00 H new ATOM 0 HA LYS A 17 51.877 0.273 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.884 -2.002 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 17 49.787 -0.639 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 17 49.258 -0.748 2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 17 50.892 -1.169 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 17 50.527 -3.454 1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 17 49.464 -3.250 3.196 1.00 0.00 H new ATOM 0 HE2 LYS A 17 47.696 -2.311 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.751 -2.722 0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 47.157 -4.492 0.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 48.735 -5.043 1.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 47.712 -4.646 2.298 1.00 0.00 H new ATOM 263 N ALA A 18 52.590 1.773 4.946 1.00 0.00 N ATOM 264 CA ALA A 18 52.431 2.916 5.891 1.00 0.00 C ATOM 265 C ALA A 18 53.573 3.911 5.688 1.00 0.00 C ATOM 266 O ALA A 18 54.325 4.205 6.596 1.00 0.00 O ATOM 267 CB ALA A 18 52.462 2.398 7.327 1.00 0.00 C ATOM 0 H ALA A 18 53.536 1.630 4.592 1.00 0.00 H new ATOM 0 HA ALA A 18 51.479 3.411 5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.346 3.233 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 18 51.648 1.688 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.414 1.902 7.514 1.00 0.00 H new ATOM 273 N LYS A 19 53.707 4.428 4.502 1.00 0.00 N ATOM 274 CA LYS A 19 54.799 5.404 4.230 1.00 0.00 C ATOM 275 C LYS A 19 54.722 6.558 5.233 1.00 0.00 C ATOM 276 O LYS A 19 53.686 7.166 5.416 1.00 0.00 O ATOM 277 CB LYS A 19 54.645 5.955 2.811 1.00 0.00 C ATOM 278 CG LYS A 19 53.271 6.612 2.668 1.00 0.00 C ATOM 279 CD LYS A 19 52.834 6.569 1.203 1.00 0.00 C ATOM 280 CE LYS A 19 51.564 7.402 1.025 1.00 0.00 C ATOM 281 NZ LYS A 19 50.504 6.564 0.395 1.00 0.00 N ATOM 0 H LYS A 19 53.106 4.217 3.705 1.00 0.00 H new ATOM 0 HA LYS A 19 55.763 4.904 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.431 6.681 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.754 5.151 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 19 52.542 6.094 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 19 53.312 7.644 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 53.628 6.956 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 19 52.652 5.539 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.222 7.774 1.991 1.00 0.00 H new ATOM 0 HE3 LYS A 19 51.772 8.273 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 49.640 7.130 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 50.832 6.230 -0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 50.299 5.747 1.005 1.00 0.00 H new ATOM 295 N LYS A 20 55.812 6.869 5.880 1.00 0.00 N ATOM 296 CA LYS A 20 55.802 7.988 6.863 1.00 0.00 C ATOM 297 C LYS A 20 56.861 9.021 6.461 1.00 0.00 C ATOM 298 O LYS A 20 56.682 9.759 5.513 1.00 0.00 O ATOM 299 CB LYS A 20 56.102 7.441 8.261 1.00 0.00 C ATOM 300 CG LYS A 20 54.905 6.627 8.755 1.00 0.00 C ATOM 301 CD LYS A 20 54.702 6.878 10.250 1.00 0.00 C ATOM 302 CE LYS A 20 55.097 5.627 11.034 1.00 0.00 C ATOM 303 NZ LYS A 20 56.556 5.672 11.334 1.00 0.00 N ATOM 0 H LYS A 20 56.709 6.396 5.770 1.00 0.00 H new ATOM 0 HA LYS A 20 54.822 8.465 6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 20 56.995 6.816 8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 20 56.307 8.262 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 20 54.008 6.907 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 20 55.073 5.566 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 20 55.304 7.728 10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 20 53.661 7.132 10.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 54.526 5.569 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.860 4.733 10.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 56.827 4.821 11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 57.093 5.708 10.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 56.768 6.518 11.900 1.00 0.00 H new ATOM 317 N VAL A 21 57.969 9.079 7.155 1.00 0.00 N ATOM 318 CA VAL A 21 59.020 10.065 6.778 1.00 0.00 C ATOM 319 C VAL A 21 59.564 9.698 5.396 1.00 0.00 C ATOM 320 O VAL A 21 59.978 10.546 4.631 1.00 0.00 O ATOM 321 CB VAL A 21 60.158 10.024 7.799 1.00 0.00 C ATOM 322 CG1 VAL A 21 61.163 11.133 7.484 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.590 10.238 9.203 1.00 0.00 C ATOM 0 H VAL A 21 58.188 8.491 7.959 1.00 0.00 H new ATOM 0 HA VAL A 21 58.594 11.068 6.759 1.00 0.00 H new ATOM 0 HB VAL A 21 60.656 9.055 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.975 11.105 8.211 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.567 10.984 6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.664 12.101 7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.400 10.209 9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 21 59.094 11.207 9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.871 9.451 9.428 1.00 0.00 H new ATOM 333 N GLY A 22 59.556 8.434 5.075 1.00 0.00 N ATOM 334 CA GLY A 22 60.061 7.996 3.744 1.00 0.00 C ATOM 335 C GLY A 22 58.934 7.290 2.986 1.00 0.00 C ATOM 336 O GLY A 22 57.815 7.234 3.458 1.00 0.00 O ATOM 0 H GLY A 22 59.221 7.684 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.415 8.856 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 22 60.910 7.323 3.867 1.00 0.00 H new ATOM 340 N PRO A 23 59.263 6.770 1.833 1.00 0.00 N ATOM 341 CA PRO A 23 58.297 6.055 0.984 1.00 0.00 C ATOM 342 C PRO A 23 58.079 4.636 1.515 1.00 0.00 C ATOM 343 O PRO A 23 58.948 4.057 2.133 1.00 0.00 O ATOM 344 CB PRO A 23 58.977 6.027 -0.387 1.00 0.00 C ATOM 345 CG PRO A 23 60.492 6.206 -0.126 1.00 0.00 C ATOM 346 CD PRO A 23 60.627 6.845 1.270 1.00 0.00 C ATOM 0 HA PRO A 23 57.314 6.526 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 23 58.780 5.085 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.596 6.824 -1.026 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.008 5.246 -0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 23 60.944 6.841 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.344 6.305 1.888 1.00 0.00 H new ATOM 0 HD3 PRO A 23 60.975 7.876 1.205 1.00 0.00 H new ATOM 354 N ALA A 24 56.927 4.070 1.280 1.00 0.00 N ATOM 355 CA ALA A 24 56.669 2.689 1.774 1.00 0.00 C ATOM 356 C ALA A 24 57.463 1.695 0.925 1.00 0.00 C ATOM 357 O ALA A 24 57.630 1.874 -0.265 1.00 0.00 O ATOM 358 CB ALA A 24 55.174 2.373 1.675 1.00 0.00 C ATOM 0 H ALA A 24 56.157 4.502 0.770 1.00 0.00 H new ATOM 0 HA ALA A 24 56.980 2.611 2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 24 54.991 1.362 2.038 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.611 3.083 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 24 54.854 2.449 0.636 1.00 0.00 H new ATOM 364 N TYR A 25 57.958 0.652 1.528 1.00 0.00 N ATOM 365 CA TYR A 25 58.744 -0.350 0.765 1.00 0.00 C ATOM 366 C TYR A 25 57.934 -0.844 -0.438 1.00 0.00 C ATOM 367 O TYR A 25 58.458 -1.026 -1.518 1.00 0.00 O ATOM 368 CB TYR A 25 59.065 -1.526 1.685 1.00 0.00 C ATOM 369 CG TYR A 25 60.097 -1.104 2.704 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.272 -0.463 2.290 1.00 0.00 C ATOM 371 CD2 TYR A 25 59.878 -1.353 4.064 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.226 -0.072 3.238 1.00 0.00 C ATOM 373 CE2 TYR A 25 60.832 -0.962 5.010 1.00 0.00 C ATOM 374 CZ TYR A 25 62.006 -0.321 4.597 1.00 0.00 C ATOM 375 OH TYR A 25 62.946 0.066 5.531 1.00 0.00 O ATOM 0 H TYR A 25 57.850 0.451 2.522 1.00 0.00 H new ATOM 0 HA TYR A 25 59.667 0.104 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.160 -1.865 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.439 -2.367 1.101 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.442 -0.271 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 25 58.972 -1.847 4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.132 0.422 2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 25 60.663 -1.155 6.059 1.00 0.00 H new ATOM 0 HH TYR A 25 62.547 0.043 6.426 1.00 0.00 H new ATOM 385 N ALA A 26 56.662 -1.071 -0.258 1.00 0.00 N ATOM 386 CA ALA A 26 55.822 -1.560 -1.391 1.00 0.00 C ATOM 387 C ALA A 26 55.889 -0.572 -2.558 1.00 0.00 C ATOM 388 O ALA A 26 56.188 -0.938 -3.677 1.00 0.00 O ATOM 389 CB ALA A 26 54.371 -1.697 -0.925 1.00 0.00 C ATOM 0 H ALA A 26 56.167 -0.939 0.624 1.00 0.00 H new ATOM 0 HA ALA A 26 56.197 -2.529 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.756 -2.054 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.319 -2.408 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.003 -0.727 -0.591 1.00 0.00 H new ATOM 395 N ASP A 27 55.605 0.676 -2.307 1.00 0.00 N ATOM 396 CA ASP A 27 55.642 1.686 -3.400 1.00 0.00 C ATOM 397 C ASP A 27 57.016 1.675 -4.076 1.00 0.00 C ATOM 398 O ASP A 27 57.138 1.940 -5.256 1.00 0.00 O ATOM 399 CB ASP A 27 55.374 3.070 -2.808 1.00 0.00 C ATOM 400 CG ASP A 27 53.865 3.318 -2.755 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.124 2.414 -3.104 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.478 4.408 -2.366 1.00 0.00 O ATOM 0 H ASP A 27 55.348 1.040 -1.389 1.00 0.00 H new ATOM 0 HA ASP A 27 54.881 1.446 -4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 27 55.800 3.138 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 27 55.858 3.836 -3.413 1.00 0.00 H new ATOM 407 N VAL A 28 58.050 1.379 -3.338 1.00 0.00 N ATOM 408 CA VAL A 28 59.412 1.360 -3.937 1.00 0.00 C ATOM 409 C VAL A 28 59.532 0.190 -4.917 1.00 0.00 C ATOM 410 O VAL A 28 59.821 0.372 -6.083 1.00 0.00 O ATOM 411 CB VAL A 28 60.449 1.207 -2.824 1.00 0.00 C ATOM 412 CG1 VAL A 28 61.827 0.956 -3.437 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.491 2.490 -1.991 1.00 0.00 C ATOM 0 H VAL A 28 58.009 1.149 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 28 59.586 2.292 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 28 60.177 0.365 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.565 0.847 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.799 0.044 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 28 62.101 1.798 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 28 61.230 2.384 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 28 60.764 3.330 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.510 2.671 -1.552 1.00 0.00 H new ATOM 423 N ALA A 29 59.314 -1.010 -4.454 1.00 0.00 N ATOM 424 CA ALA A 29 59.418 -2.189 -5.359 1.00 0.00 C ATOM 425 C ALA A 29 58.647 -1.914 -6.651 1.00 0.00 C ATOM 426 O ALA A 29 59.154 -2.100 -7.740 1.00 0.00 O ATOM 427 CB ALA A 29 58.823 -3.417 -4.664 1.00 0.00 C ATOM 0 H ALA A 29 59.068 -1.225 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 29 60.466 -2.373 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 29 58.898 -4.281 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.372 -3.615 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 29 57.775 -3.230 -4.429 1.00 0.00 H new ATOM 433 N LYS A 30 57.425 -1.475 -6.542 1.00 0.00 N ATOM 434 CA LYS A 30 56.622 -1.191 -7.764 1.00 0.00 C ATOM 435 C LYS A 30 57.355 -0.165 -8.636 1.00 0.00 C ATOM 436 O LYS A 30 57.404 -0.287 -9.843 1.00 0.00 O ATOM 437 CB LYS A 30 55.257 -0.632 -7.356 1.00 0.00 C ATOM 438 CG LYS A 30 54.169 -1.665 -7.658 1.00 0.00 C ATOM 439 CD LYS A 30 53.625 -2.235 -6.345 1.00 0.00 C ATOM 440 CE LYS A 30 52.385 -1.446 -5.918 1.00 0.00 C ATOM 441 NZ LYS A 30 51.459 -2.341 -5.168 1.00 0.00 N ATOM 0 H LYS A 30 56.946 -1.300 -5.658 1.00 0.00 H new ATOM 0 HA LYS A 30 56.485 -2.112 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.256 -0.387 -6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.055 0.293 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 30 53.363 -1.203 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 30 54.576 -2.467 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 30 53.373 -3.288 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 30 54.388 -2.180 -5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 30 52.676 -0.601 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS A 30 51.882 -1.037 -6.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 50.617 -1.804 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.172 -3.133 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 51.941 -2.711 -4.324 1.00 0.00 H new ATOM 455 N LYS A 31 57.920 0.845 -8.033 1.00 0.00 N ATOM 456 CA LYS A 31 58.643 1.876 -8.830 1.00 0.00 C ATOM 457 C LYS A 31 59.750 1.209 -9.650 1.00 0.00 C ATOM 458 O LYS A 31 59.950 1.522 -10.808 1.00 0.00 O ATOM 459 CB LYS A 31 59.257 2.913 -7.887 1.00 0.00 C ATOM 460 CG LYS A 31 58.734 4.302 -8.253 1.00 0.00 C ATOM 461 CD LYS A 31 59.724 5.367 -7.777 1.00 0.00 C ATOM 462 CE LYS A 31 58.957 6.615 -7.335 1.00 0.00 C ATOM 463 NZ LYS A 31 59.353 7.770 -8.188 1.00 0.00 N ATOM 0 H LYS A 31 57.912 1.001 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 31 57.943 2.369 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.003 2.677 -6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 31 60.344 2.890 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 31 58.595 4.377 -9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 31 57.759 4.467 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 31 60.320 4.981 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 31 60.418 5.619 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 31 57.884 6.442 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 31 59.169 6.833 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 58.832 8.618 -7.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 60.375 7.939 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 59.130 7.560 -9.182 1.00 0.00 H new ATOM 477 N TYR A 32 60.467 0.291 -9.063 1.00 0.00 N ATOM 478 CA TYR A 32 61.558 -0.394 -9.812 1.00 0.00 C ATOM 479 C TYR A 32 61.115 -1.823 -10.152 1.00 0.00 C ATOM 480 O TYR A 32 59.961 -2.061 -10.449 1.00 0.00 O ATOM 481 CB TYR A 32 62.822 -0.423 -8.949 1.00 0.00 C ATOM 482 CG TYR A 32 63.220 0.991 -8.603 1.00 0.00 C ATOM 483 CD1 TYR A 32 63.738 1.832 -9.596 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.071 1.463 -7.294 1.00 0.00 C ATOM 485 CE1 TYR A 32 64.106 3.146 -9.279 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.439 2.777 -6.976 1.00 0.00 C ATOM 487 CZ TYR A 32 63.957 3.618 -7.969 1.00 0.00 C ATOM 488 OH TYR A 32 64.320 4.912 -7.657 1.00 0.00 O ATOM 0 H TYR A 32 60.345 -0.014 -8.098 1.00 0.00 H new ATOM 0 HA TYR A 32 61.772 0.143 -10.736 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.642 -0.996 -8.039 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.631 -0.920 -9.484 1.00 0.00 H new ATOM 0 HD1 TYR A 32 63.854 1.468 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 32 62.672 0.814 -6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 32 64.505 3.795 -10.045 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.323 3.141 -5.966 1.00 0.00 H new ATOM 0 HH TYR A 32 65.289 4.956 -7.521 1.00 0.00 H new ATOM 498 N ALA A 33 62.021 -2.770 -10.120 1.00 0.00 N ATOM 499 CA ALA A 33 61.658 -4.184 -10.444 1.00 0.00 C ATOM 500 C ALA A 33 61.676 -4.396 -11.960 1.00 0.00 C ATOM 501 O ALA A 33 62.084 -5.433 -12.444 1.00 0.00 O ATOM 502 CB ALA A 33 60.265 -4.507 -9.897 1.00 0.00 C ATOM 0 H ALA A 33 63.002 -2.623 -9.882 1.00 0.00 H new ATOM 0 HA ALA A 33 62.388 -4.848 -9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 33 60.010 -5.539 -10.138 1.00 0.00 H new ATOM 0 HB2 ALA A 33 60.259 -4.375 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.533 -3.837 -10.348 1.00 0.00 H new ATOM 508 N GLY A 34 61.242 -3.425 -12.718 1.00 0.00 N ATOM 509 CA GLY A 34 61.242 -3.584 -14.199 1.00 0.00 C ATOM 510 C GLY A 34 62.587 -3.119 -14.763 1.00 0.00 C ATOM 511 O GLY A 34 62.680 -2.692 -15.897 1.00 0.00 O ATOM 0 H GLY A 34 60.889 -2.531 -12.376 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.066 -4.627 -14.463 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.431 -3.003 -14.638 1.00 0.00 H new ATOM 515 N ARG A 35 63.631 -3.199 -13.981 1.00 0.00 N ATOM 516 CA ARG A 35 64.966 -2.761 -14.477 1.00 0.00 C ATOM 517 C ARG A 35 65.902 -3.968 -14.557 1.00 0.00 C ATOM 518 O ARG A 35 65.704 -4.966 -13.894 1.00 0.00 O ATOM 519 CB ARG A 35 65.553 -1.726 -13.515 1.00 0.00 C ATOM 520 CG ARG A 35 65.076 -0.328 -13.915 1.00 0.00 C ATOM 521 CD ARG A 35 65.486 0.677 -12.838 1.00 0.00 C ATOM 522 NE ARG A 35 66.068 1.889 -13.483 1.00 0.00 N ATOM 523 CZ ARG A 35 65.309 2.687 -14.187 1.00 0.00 C ATOM 524 NH1 ARG A 35 64.037 2.426 -14.330 1.00 0.00 N ATOM 525 NH2 ARG A 35 65.824 3.748 -14.748 1.00 0.00 N ATOM 0 H ARG A 35 63.616 -3.548 -13.023 1.00 0.00 H new ATOM 0 HA ARG A 35 64.858 -2.318 -15.467 1.00 0.00 H new ATOM 0 HB2 ARG A 35 65.245 -1.948 -12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 35 66.642 -1.770 -13.537 1.00 0.00 H new ATOM 0 HG2 ARG A 35 65.508 -0.045 -14.875 1.00 0.00 H new ATOM 0 HG3 ARG A 35 63.993 -0.323 -14.039 1.00 0.00 H new ATOM 0 HD2 ARG A 35 64.621 0.953 -12.235 1.00 0.00 H new ATOM 0 HD3 ARG A 35 66.214 0.226 -12.163 1.00 0.00 H new ATOM 0 HE ARG A 35 67.061 2.096 -13.375 1.00 0.00 H new ATOM 0 HH11 ARG A 35 63.634 1.598 -13.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 63.447 3.050 -14.880 1.00 0.00 H new ATOM 0 HH21 ARG A 35 66.817 3.953 -14.636 1.00 0.00 H new ATOM 0 HH22 ARG A 35 65.233 4.372 -15.298 1.00 0.00 H new ATOM 539 N LYS A 36 66.924 -3.885 -15.365 1.00 0.00 N ATOM 540 CA LYS A 36 67.873 -5.026 -15.487 1.00 0.00 C ATOM 541 C LYS A 36 69.017 -4.844 -14.487 1.00 0.00 C ATOM 542 O LYS A 36 70.105 -5.351 -14.674 1.00 0.00 O ATOM 543 CB LYS A 36 68.436 -5.073 -16.912 1.00 0.00 C ATOM 544 CG LYS A 36 69.454 -3.945 -17.102 1.00 0.00 C ATOM 545 CD LYS A 36 69.421 -3.466 -18.555 1.00 0.00 C ATOM 546 CE LYS A 36 70.127 -4.489 -19.446 1.00 0.00 C ATOM 547 NZ LYS A 36 70.256 -3.942 -20.826 1.00 0.00 N ATOM 0 H LYS A 36 67.142 -3.075 -15.946 1.00 0.00 H new ATOM 0 HA LYS A 36 67.351 -5.959 -15.275 1.00 0.00 H new ATOM 0 HB2 LYS A 36 68.909 -6.038 -17.095 1.00 0.00 H new ATOM 0 HB3 LYS A 36 67.628 -4.972 -17.636 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.225 -3.118 -16.430 1.00 0.00 H new ATOM 0 HG3 LYS A 36 70.454 -4.296 -16.846 1.00 0.00 H new ATOM 0 HD2 LYS A 36 68.390 -3.334 -18.882 1.00 0.00 H new ATOM 0 HD3 LYS A 36 69.909 -2.495 -18.640 1.00 0.00 H new ATOM 0 HE2 LYS A 36 71.112 -4.720 -19.042 1.00 0.00 H new ATOM 0 HE3 LYS A 36 69.563 -5.422 -19.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 70.736 -4.638 -21.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 69.310 -3.743 -21.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 70.812 -3.063 -20.801 1.00 0.00 H new ATOM 561 N ASP A 37 68.779 -4.123 -13.426 1.00 0.00 N ATOM 562 CA ASP A 37 69.850 -3.905 -12.414 1.00 0.00 C ATOM 563 C ASP A 37 69.300 -3.055 -11.267 1.00 0.00 C ATOM 564 O ASP A 37 69.934 -2.126 -10.811 1.00 0.00 O ATOM 565 CB ASP A 37 71.028 -3.178 -13.068 1.00 0.00 C ATOM 566 CG ASP A 37 72.302 -4.006 -12.894 1.00 0.00 C ATOM 567 OD1 ASP A 37 72.313 -5.141 -13.341 1.00 0.00 O ATOM 568 OD2 ASP A 37 73.245 -3.490 -12.316 1.00 0.00 O ATOM 0 H ASP A 37 67.887 -3.675 -13.216 1.00 0.00 H new ATOM 0 HA ASP A 37 70.186 -4.866 -12.026 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.827 -3.019 -14.128 1.00 0.00 H new ATOM 0 HB3 ASP A 37 71.157 -2.194 -12.617 1.00 0.00 H new ATOM 573 N ALA A 38 68.122 -3.368 -10.799 1.00 0.00 N ATOM 574 CA ALA A 38 67.529 -2.578 -9.683 1.00 0.00 C ATOM 575 C ALA A 38 68.265 -2.902 -8.382 1.00 0.00 C ATOM 576 O ALA A 38 68.214 -2.154 -7.426 1.00 0.00 O ATOM 577 CB ALA A 38 66.049 -2.937 -9.535 1.00 0.00 C ATOM 0 H ALA A 38 67.545 -4.136 -11.141 1.00 0.00 H new ATOM 0 HA ALA A 38 67.625 -1.514 -9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.614 -2.360 -8.719 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.524 -2.707 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.953 -4.001 -9.318 1.00 0.00 H new ATOM 583 N VAL A 39 68.950 -4.012 -8.338 1.00 0.00 N ATOM 584 CA VAL A 39 69.688 -4.381 -7.098 1.00 0.00 C ATOM 585 C VAL A 39 70.930 -3.498 -6.967 1.00 0.00 C ATOM 586 O VAL A 39 71.267 -3.036 -5.894 1.00 0.00 O ATOM 587 CB VAL A 39 70.112 -5.847 -7.180 1.00 0.00 C ATOM 588 CG1 VAL A 39 70.306 -6.404 -5.769 1.00 0.00 C ATOM 589 CG2 VAL A 39 69.024 -6.650 -7.901 1.00 0.00 C ATOM 0 H VAL A 39 69.030 -4.678 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 39 69.044 -4.236 -6.230 1.00 0.00 H new ATOM 0 HB VAL A 39 71.049 -5.924 -7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 39 70.608 -7.450 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 39 71.078 -5.832 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 39 69.370 -6.328 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 39 69.324 -7.696 -7.961 1.00 0.00 H new ATOM 0 HG22 VAL A 39 68.088 -6.572 -7.348 1.00 0.00 H new ATOM 0 HG23 VAL A 39 68.886 -6.254 -8.907 1.00 0.00 H new ATOM 599 N ASP A 40 71.612 -3.257 -8.053 1.00 0.00 N ATOM 600 CA ASP A 40 72.831 -2.402 -7.997 1.00 0.00 C ATOM 601 C ASP A 40 72.416 -0.942 -7.803 1.00 0.00 C ATOM 602 O ASP A 40 72.978 -0.228 -6.996 1.00 0.00 O ATOM 603 CB ASP A 40 73.609 -2.541 -9.307 1.00 0.00 C ATOM 604 CG ASP A 40 75.090 -2.769 -9.003 1.00 0.00 C ATOM 605 OD1 ASP A 40 75.450 -3.900 -8.722 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.840 -1.807 -9.058 1.00 0.00 O ATOM 0 H ASP A 40 71.377 -3.616 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 40 73.461 -2.716 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.215 -3.374 -9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 73.486 -1.643 -9.912 1.00 0.00 H new ATOM 611 N TYR A 41 71.436 -0.493 -8.538 1.00 0.00 N ATOM 612 CA TYR A 41 70.984 0.918 -8.397 1.00 0.00 C ATOM 613 C TYR A 41 70.525 1.169 -6.960 1.00 0.00 C ATOM 614 O TYR A 41 70.980 2.084 -6.304 1.00 0.00 O ATOM 615 CB TYR A 41 69.820 1.179 -9.354 1.00 0.00 C ATOM 616 CG TYR A 41 69.627 2.668 -9.516 1.00 0.00 C ATOM 617 CD1 TYR A 41 70.677 3.460 -9.993 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.399 3.255 -9.186 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.501 4.840 -10.142 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.223 4.636 -9.335 1.00 0.00 C ATOM 621 CZ TYR A 41 69.273 5.429 -9.813 1.00 0.00 C ATOM 622 OH TYR A 41 69.100 6.790 -9.960 1.00 0.00 O ATOM 0 H TYR A 41 70.929 -1.044 -9.231 1.00 0.00 H new ATOM 0 HA TYR A 41 71.811 1.587 -8.636 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.021 0.720 -10.322 1.00 0.00 H new ATOM 0 HB3 TYR A 41 68.908 0.723 -8.968 1.00 0.00 H new ATOM 0 HD1 TYR A 41 71.624 3.006 -10.246 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.589 2.643 -8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.312 5.451 -10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.276 5.090 -9.081 1.00 0.00 H new ATOM 0 HH TYR A 41 68.191 7.035 -9.689 1.00 0.00 H new ATOM 632 N LEU A 42 69.624 0.365 -6.468 1.00 0.00 N ATOM 633 CA LEU A 42 69.131 0.559 -5.076 1.00 0.00 C ATOM 634 C LEU A 42 70.309 0.503 -4.103 1.00 0.00 C ATOM 635 O LEU A 42 70.687 1.497 -3.516 1.00 0.00 O ATOM 636 CB LEU A 42 68.128 -0.545 -4.732 1.00 0.00 C ATOM 637 CG LEU A 42 66.779 -0.227 -5.379 1.00 0.00 C ATOM 638 CD1 LEU A 42 66.000 -1.526 -5.600 1.00 0.00 C ATOM 639 CD2 LEU A 42 65.977 0.695 -4.458 1.00 0.00 C ATOM 0 H LEU A 42 69.207 -0.419 -6.970 1.00 0.00 H new ATOM 0 HA LEU A 42 68.643 1.530 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.495 -1.508 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.015 -0.625 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 42 66.943 0.267 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 42 65.039 -1.300 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU A 42 66.570 -2.185 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.836 -2.019 -4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.015 0.922 -4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 42 65.813 0.200 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 42 66.530 1.620 -4.298 1.00 0.00 H new ATOM 651 N ALA A 43 70.887 -0.653 -3.929 1.00 0.00 N ATOM 652 CA ALA A 43 72.041 -0.789 -2.993 1.00 0.00 C ATOM 653 C ALA A 43 72.968 0.422 -3.131 1.00 0.00 C ATOM 654 O ALA A 43 73.640 0.809 -2.196 1.00 0.00 O ATOM 655 CB ALA A 43 72.816 -2.066 -3.327 1.00 0.00 C ATOM 0 H ALA A 43 70.609 -1.515 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 43 71.671 -0.841 -1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.660 -2.168 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.158 -2.929 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.183 -2.012 -4.352 1.00 0.00 H new ATOM 661 N GLY A 44 73.010 1.027 -4.287 1.00 0.00 N ATOM 662 CA GLY A 44 73.893 2.212 -4.472 1.00 0.00 C ATOM 663 C GLY A 44 73.313 3.401 -3.704 1.00 0.00 C ATOM 664 O GLY A 44 73.961 3.981 -2.856 1.00 0.00 O ATOM 0 H GLY A 44 72.472 0.752 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 44 74.899 1.990 -4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 44 73.977 2.455 -5.531 1.00 0.00 H new ATOM 668 N LYS A 45 72.093 3.764 -3.994 1.00 0.00 N ATOM 669 CA LYS A 45 71.467 4.912 -3.279 1.00 0.00 C ATOM 670 C LYS A 45 71.240 4.537 -1.811 1.00 0.00 C ATOM 671 O LYS A 45 70.871 5.361 -1.000 1.00 0.00 O ATOM 672 CB LYS A 45 70.124 5.248 -3.934 1.00 0.00 C ATOM 673 CG LYS A 45 69.835 6.741 -3.769 1.00 0.00 C ATOM 674 CD LYS A 45 70.031 7.451 -5.109 1.00 0.00 C ATOM 675 CE LYS A 45 71.508 7.395 -5.507 1.00 0.00 C ATOM 676 NZ LYS A 45 71.638 7.628 -6.973 1.00 0.00 N ATOM 0 H LYS A 45 71.503 3.315 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 45 72.126 5.779 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 45 70.148 4.986 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.328 4.660 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 45 68.815 6.887 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 45 70.499 7.170 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.419 6.977 -5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 45 69.703 8.488 -5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 45 72.072 8.148 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.930 6.425 -5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.642 7.590 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.113 6.894 -7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 71.251 8.563 -7.212 1.00 0.00 H new ATOM 690 N ILE A 46 71.459 3.296 -1.467 1.00 0.00 N ATOM 691 CA ILE A 46 71.258 2.862 -0.057 1.00 0.00 C ATOM 692 C ILE A 46 72.521 3.165 0.753 1.00 0.00 C ATOM 693 O ILE A 46 72.475 3.827 1.771 1.00 0.00 O ATOM 694 CB ILE A 46 70.978 1.356 -0.027 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.554 1.092 -0.519 1.00 0.00 C ATOM 696 CG2 ILE A 46 71.125 0.828 1.401 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.387 -0.399 -0.820 1.00 0.00 C ATOM 0 H ILE A 46 71.769 2.563 -2.105 1.00 0.00 H new ATOM 0 HA ILE A 46 70.413 3.398 0.376 1.00 0.00 H new ATOM 0 HB ILE A 46 71.691 0.847 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.833 1.404 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.352 1.680 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.925 -0.243 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 46 72.140 1.012 1.754 1.00 0.00 H new ATOM 0 HG23 ILE A 46 70.416 1.338 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.372 -0.588 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 46 70.098 -0.697 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.571 -0.976 0.086 1.00 0.00 H new ATOM 709 N LYS A 47 73.649 2.681 0.310 1.00 0.00 N ATOM 710 CA LYS A 47 74.916 2.936 1.054 1.00 0.00 C ATOM 711 C LYS A 47 75.338 4.397 0.873 1.00 0.00 C ATOM 712 O LYS A 47 76.203 4.891 1.571 1.00 0.00 O ATOM 713 CB LYS A 47 76.014 2.019 0.510 1.00 0.00 C ATOM 714 CG LYS A 47 76.124 0.771 1.389 1.00 0.00 C ATOM 715 CD LYS A 47 77.451 0.061 1.111 1.00 0.00 C ATOM 716 CE LYS A 47 78.568 0.732 1.913 1.00 0.00 C ATOM 717 NZ LYS A 47 79.624 1.226 0.983 1.00 0.00 N ATOM 0 H LYS A 47 73.748 2.119 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 47 74.760 2.736 2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.787 1.734 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.967 2.548 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.062 1.049 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 47 75.291 0.098 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 47 77.376 -0.992 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 77.680 0.100 0.046 1.00 0.00 H new ATOM 0 HE2 LYS A 47 78.164 1.561 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.996 0.024 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.382 1.682 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 80.016 0.426 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 79.211 1.915 0.323 1.00 0.00 H new ATOM 731 N LYS A 48 74.743 5.094 -0.057 1.00 0.00 N ATOM 732 CA LYS A 48 75.124 6.519 -0.277 1.00 0.00 C ATOM 733 C LYS A 48 74.047 7.439 0.307 1.00 0.00 C ATOM 734 O LYS A 48 74.246 8.075 1.323 1.00 0.00 O ATOM 735 CB LYS A 48 75.260 6.784 -1.778 1.00 0.00 C ATOM 736 CG LYS A 48 76.713 6.571 -2.208 1.00 0.00 C ATOM 737 CD LYS A 48 77.502 7.868 -2.012 1.00 0.00 C ATOM 738 CE LYS A 48 77.553 8.642 -3.331 1.00 0.00 C ATOM 739 NZ LYS A 48 78.734 8.194 -4.123 1.00 0.00 N ATOM 0 H LYS A 48 74.011 4.739 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 48 76.075 6.718 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 48 74.604 6.116 -2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.948 7.803 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.162 5.768 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 48 76.752 6.264 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 48 77.034 8.477 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 48 78.513 7.643 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 48 76.637 8.476 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.618 9.712 -3.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 78.770 8.719 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 79.604 8.374 -3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 78.653 7.176 -4.321 1.00 0.00 H new ATOM 753 N GLY A 49 72.911 7.518 -0.331 1.00 0.00 N ATOM 754 CA GLY A 49 71.824 8.400 0.183 1.00 0.00 C ATOM 755 C GLY A 49 71.756 9.672 -0.668 1.00 0.00 C ATOM 756 O GLY A 49 72.507 9.842 -1.607 1.00 0.00 O ATOM 0 H GLY A 49 72.688 7.010 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.869 7.876 0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.011 8.656 1.226 1.00 0.00 H new ATOM 760 N GLY A 50 70.862 10.567 -0.346 1.00 0.00 N ATOM 761 CA GLY A 50 70.750 11.826 -1.138 1.00 0.00 C ATOM 762 C GLY A 50 69.287 12.269 -1.201 1.00 0.00 C ATOM 763 O GLY A 50 68.523 12.057 -0.281 1.00 0.00 O ATOM 0 H GLY A 50 70.205 10.482 0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.357 12.608 -0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.136 11.669 -2.145 1.00 0.00 H new ATOM 767 N SER A 51 68.890 12.884 -2.283 1.00 0.00 N ATOM 768 CA SER A 51 67.481 13.340 -2.408 1.00 0.00 C ATOM 769 C SER A 51 67.165 13.629 -3.876 1.00 0.00 C ATOM 770 O SER A 51 67.961 14.207 -4.590 1.00 0.00 O ATOM 771 CB SER A 51 67.283 14.613 -1.585 1.00 0.00 C ATOM 772 OG SER A 51 67.569 15.744 -2.398 1.00 0.00 O ATOM 0 H SER A 51 69.485 13.089 -3.086 1.00 0.00 H new ATOM 0 HA SER A 51 66.814 12.561 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 51 66.259 14.666 -1.215 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.937 14.602 -0.713 1.00 0.00 H new ATOM 0 HG SER A 51 67.442 16.563 -1.875 1.00 0.00 H new ATOM 778 N GLY A 52 66.008 13.235 -4.335 1.00 0.00 N ATOM 779 CA GLY A 52 65.642 13.492 -5.758 1.00 0.00 C ATOM 780 C GLY A 52 64.838 12.310 -6.302 1.00 0.00 C ATOM 781 O GLY A 52 64.103 12.437 -7.261 1.00 0.00 O ATOM 0 H GLY A 52 65.300 12.746 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.057 14.409 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.542 13.638 -6.355 1.00 0.00 H new ATOM 785 N VAL A 53 64.970 11.161 -5.699 1.00 0.00 N ATOM 786 CA VAL A 53 64.212 9.975 -6.186 1.00 0.00 C ATOM 787 C VAL A 53 62.823 9.957 -5.545 1.00 0.00 C ATOM 788 O VAL A 53 61.870 9.474 -6.122 1.00 0.00 O ATOM 789 CB VAL A 53 64.963 8.697 -5.806 1.00 0.00 C ATOM 790 CG1 VAL A 53 64.355 7.510 -6.556 1.00 0.00 C ATOM 791 CG2 VAL A 53 66.437 8.838 -6.188 1.00 0.00 C ATOM 0 H VAL A 53 65.569 10.992 -4.891 1.00 0.00 H new ATOM 0 HA VAL A 53 64.112 10.030 -7.270 1.00 0.00 H new ATOM 0 HB VAL A 53 64.881 8.532 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 53 64.888 6.598 -6.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 63.304 7.409 -6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 53 64.439 7.676 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 53 66.972 7.928 -5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 53 66.520 9.002 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 53 66.871 9.685 -5.657 1.00 0.00 H new ATOM 801 N TRP A 54 62.700 10.473 -4.352 1.00 0.00 N ATOM 802 CA TRP A 54 61.371 10.477 -3.678 1.00 0.00 C ATOM 803 C TRP A 54 61.076 11.871 -3.122 1.00 0.00 C ATOM 804 O TRP A 54 60.297 12.029 -2.202 1.00 0.00 O ATOM 805 CB TRP A 54 61.380 9.463 -2.533 1.00 0.00 C ATOM 806 CG TRP A 54 61.323 8.079 -3.095 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.401 7.333 -3.434 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.153 7.264 -3.389 1.00 0.00 C ATOM 809 NE1 TRP A 54 61.965 6.112 -3.916 1.00 0.00 N ATOM 810 CE2 TRP A 54 60.587 6.022 -3.909 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.769 7.480 -3.257 1.00 0.00 C ATOM 812 CZ2 TRP A 54 59.682 5.028 -4.283 1.00 0.00 C ATOM 813 CZ3 TRP A 54 57.854 6.483 -3.633 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.311 5.259 -4.145 1.00 0.00 C ATOM 0 H TRP A 54 63.461 10.891 -3.816 1.00 0.00 H new ATOM 0 HA TRP A 54 60.600 10.208 -4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.280 9.586 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.529 9.635 -1.874 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.432 7.641 -3.343 1.00 0.00 H new ATOM 0 HE1 TRP A 54 62.585 5.369 -4.237 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.408 8.419 -2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.039 4.087 -4.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 56.794 6.659 -3.528 1.00 0.00 H new ATOM 0 HH2 TRP A 54 57.603 4.496 -4.432 1.00 0.00 H new ATOM 825 N GLY A 55 61.686 12.885 -3.671 1.00 0.00 N ATOM 826 CA GLY A 55 61.431 14.265 -3.170 1.00 0.00 C ATOM 827 C GLY A 55 62.750 14.925 -2.766 1.00 0.00 C ATOM 828 O GLY A 55 63.816 14.509 -3.174 1.00 0.00 O ATOM 0 H GLY A 55 62.349 12.818 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 55 60.940 14.857 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.755 14.232 -2.316 1.00 0.00 H new ATOM 832 N SER A 56 62.685 15.957 -1.967 1.00 0.00 N ATOM 833 CA SER A 56 63.931 16.650 -1.536 1.00 0.00 C ATOM 834 C SER A 56 64.423 16.055 -0.215 1.00 0.00 C ATOM 835 O SER A 56 65.336 16.564 0.403 1.00 0.00 O ATOM 836 CB SER A 56 63.642 18.139 -1.342 1.00 0.00 C ATOM 837 OG SER A 56 62.287 18.305 -0.944 1.00 0.00 O ATOM 0 H SER A 56 61.820 16.349 -1.594 1.00 0.00 H new ATOM 0 HA SER A 56 64.698 16.520 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 64.309 18.556 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 56 63.830 18.682 -2.268 1.00 0.00 H new ATOM 0 HG SER A 56 62.098 19.258 -0.817 1.00 0.00 H new ATOM 843 N VAL A 57 63.825 14.981 0.224 1.00 0.00 N ATOM 844 CA VAL A 57 64.259 14.355 1.506 1.00 0.00 C ATOM 845 C VAL A 57 65.676 13.786 1.343 1.00 0.00 C ATOM 846 O VAL A 57 65.877 12.846 0.600 1.00 0.00 O ATOM 847 CB VAL A 57 63.296 13.223 1.866 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.385 12.932 3.365 1.00 0.00 C ATOM 849 CG2 VAL A 57 61.867 13.643 1.516 1.00 0.00 C ATOM 0 H VAL A 57 63.054 14.510 -0.250 1.00 0.00 H new ATOM 0 HA VAL A 57 64.257 15.104 2.298 1.00 0.00 H new ATOM 0 HB VAL A 57 63.563 12.327 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 57 62.698 12.125 3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.403 12.636 3.618 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.117 13.827 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.178 12.838 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 57 61.603 14.539 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.800 13.852 0.448 1.00 0.00 H new ATOM 859 N PRO A 58 66.620 14.375 2.038 1.00 0.00 N ATOM 860 CA PRO A 58 68.029 13.947 1.981 1.00 0.00 C ATOM 861 C PRO A 58 68.254 12.727 2.878 1.00 0.00 C ATOM 862 O PRO A 58 68.765 12.843 3.974 1.00 0.00 O ATOM 863 CB PRO A 58 68.792 15.156 2.525 1.00 0.00 C ATOM 864 CG PRO A 58 67.785 15.955 3.387 1.00 0.00 C ATOM 865 CD PRO A 58 66.377 15.520 2.940 1.00 0.00 C ATOM 0 HA PRO A 58 68.346 13.657 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.648 14.839 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 58 69.179 15.769 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 58 67.935 15.750 4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 58 67.921 17.027 3.247 1.00 0.00 H new ATOM 0 HD2 PRO A 58 65.760 15.232 3.791 1.00 0.00 H new ATOM 0 HD3 PRO A 58 65.855 16.328 2.427 1.00 0.00 H new ATOM 873 N MET A 59 67.882 11.561 2.429 1.00 0.00 N ATOM 874 CA MET A 59 68.088 10.352 3.273 1.00 0.00 C ATOM 875 C MET A 59 69.581 10.219 3.595 1.00 0.00 C ATOM 876 O MET A 59 70.412 10.359 2.718 1.00 0.00 O ATOM 877 CB MET A 59 67.608 9.109 2.520 1.00 0.00 C ATOM 878 CG MET A 59 68.061 7.846 3.259 1.00 0.00 C ATOM 879 SD MET A 59 68.960 6.769 2.115 1.00 0.00 S ATOM 880 CE MET A 59 68.763 5.230 3.046 1.00 0.00 C ATOM 0 H MET A 59 67.448 11.393 1.521 1.00 0.00 H new ATOM 0 HA MET A 59 67.519 10.447 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.521 9.121 2.435 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.007 9.111 1.506 1.00 0.00 H new ATOM 0 HG2 MET A 59 68.699 8.113 4.101 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.197 7.321 3.667 1.00 0.00 H new ATOM 0 HE1 MET A 59 69.665 4.626 2.946 1.00 0.00 H new ATOM 0 HE2 MET A 59 68.596 5.460 4.098 1.00 0.00 H new ATOM 0 HE3 MET A 59 67.910 4.675 2.656 1.00 0.00 H new ATOM 890 N PRO A 60 69.879 9.961 4.844 1.00 0.00 N ATOM 891 CA PRO A 60 71.267 9.816 5.313 1.00 0.00 C ATOM 892 C PRO A 60 71.808 8.427 4.960 1.00 0.00 C ATOM 893 O PRO A 60 71.049 7.525 4.663 1.00 0.00 O ATOM 894 CB PRO A 60 71.153 9.985 6.830 1.00 0.00 C ATOM 895 CG PRO A 60 69.687 9.650 7.198 1.00 0.00 C ATOM 896 CD PRO A 60 68.863 9.788 5.903 1.00 0.00 C ATOM 0 HA PRO A 60 71.950 10.534 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.845 9.321 7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.405 11.003 7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.610 8.640 7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 60 69.316 10.328 7.967 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.249 8.905 5.726 1.00 0.00 H new ATOM 0 HD3 PRO A 60 68.187 10.642 5.950 1.00 0.00 H new ATOM 904 N PRO A 61 73.110 8.297 5.007 1.00 0.00 N ATOM 905 CA PRO A 61 73.792 7.028 4.701 1.00 0.00 C ATOM 906 C PRO A 61 73.693 6.074 5.894 1.00 0.00 C ATOM 907 O PRO A 61 73.857 6.469 7.032 1.00 0.00 O ATOM 908 CB PRO A 61 75.243 7.451 4.458 1.00 0.00 C ATOM 909 CG PRO A 61 75.430 8.807 5.180 1.00 0.00 C ATOM 910 CD PRO A 61 74.021 9.403 5.369 1.00 0.00 C ATOM 0 HA PRO A 61 73.361 6.500 3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.935 6.705 4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.446 7.548 3.391 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.925 8.669 6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 61 76.058 9.476 4.592 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.861 9.731 6.396 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.867 10.272 4.729 1.00 0.00 H new ATOM 918 N GLN A 62 73.425 4.822 5.647 1.00 0.00 N ATOM 919 CA GLN A 62 73.315 3.850 6.769 1.00 0.00 C ATOM 920 C GLN A 62 74.619 3.056 6.885 1.00 0.00 C ATOM 921 O GLN A 62 75.606 3.370 6.249 1.00 0.00 O ATOM 922 CB GLN A 62 72.151 2.892 6.503 1.00 0.00 C ATOM 923 CG GLN A 62 70.823 3.583 6.824 1.00 0.00 C ATOM 924 CD GLN A 62 70.827 4.996 6.244 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.779 5.174 5.043 1.00 0.00 O ATOM 926 NE2 GLN A 62 70.884 6.015 7.053 1.00 0.00 N ATOM 0 H GLN A 62 73.278 4.430 4.717 1.00 0.00 H new ATOM 0 HA GLN A 62 73.134 4.387 7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.162 2.573 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.261 1.995 7.112 1.00 0.00 H new ATOM 0 HG2 GLN A 62 69.994 3.011 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.673 3.622 7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 62 70.924 5.864 8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 62 70.888 6.964 6.679 1.00 0.00 H new ATOM 935 N ASN A 63 74.633 2.031 7.693 1.00 0.00 N ATOM 936 CA ASN A 63 75.875 1.222 7.846 1.00 0.00 C ATOM 937 C ASN A 63 75.598 -0.227 7.440 1.00 0.00 C ATOM 938 O ASN A 63 75.576 -1.119 8.264 1.00 0.00 O ATOM 939 CB ASN A 63 76.331 1.262 9.307 1.00 0.00 C ATOM 940 CG ASN A 63 77.769 0.750 9.409 1.00 0.00 C ATOM 941 OD1 ASN A 63 78.708 1.503 9.240 1.00 0.00 O ATOM 942 ND2 ASN A 63 77.982 -0.509 9.682 1.00 0.00 N ATOM 0 H ASN A 63 73.839 1.719 8.253 1.00 0.00 H new ATOM 0 HA ASN A 63 76.656 1.634 7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 63 76.269 2.280 9.690 1.00 0.00 H new ATOM 0 HB3 ASN A 63 75.671 0.649 9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 63 78.937 -0.861 9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 63 77.194 -1.141 9.824 1.00 0.00 H new ATOM 949 N VAL A 64 75.388 -0.470 6.175 1.00 0.00 N ATOM 950 CA VAL A 64 75.116 -1.863 5.721 1.00 0.00 C ATOM 951 C VAL A 64 76.231 -2.323 4.782 1.00 0.00 C ATOM 952 O VAL A 64 76.860 -1.529 4.112 1.00 0.00 O ATOM 953 CB VAL A 64 73.779 -1.914 4.979 1.00 0.00 C ATOM 954 CG1 VAL A 64 72.645 -2.134 5.983 1.00 0.00 C ATOM 955 CG2 VAL A 64 73.555 -0.591 4.241 1.00 0.00 C ATOM 0 H VAL A 64 75.393 0.235 5.438 1.00 0.00 H new ATOM 0 HA VAL A 64 75.074 -2.520 6.590 1.00 0.00 H new ATOM 0 HB VAL A 64 73.794 -2.734 4.261 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.693 -2.170 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 64 72.803 -3.075 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.630 -1.314 6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.603 -0.626 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.541 0.229 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.362 -0.432 3.526 1.00 0.00 H new ATOM 965 N THR A 65 76.476 -3.602 4.728 1.00 0.00 N ATOM 966 CA THR A 65 77.545 -4.120 3.830 1.00 0.00 C ATOM 967 C THR A 65 76.996 -4.235 2.407 1.00 0.00 C ATOM 968 O THR A 65 75.820 -4.053 2.171 1.00 0.00 O ATOM 969 CB THR A 65 77.994 -5.501 4.315 1.00 0.00 C ATOM 970 OG1 THR A 65 77.792 -5.596 5.718 1.00 0.00 O ATOM 971 CG2 THR A 65 79.476 -5.699 3.995 1.00 0.00 C ATOM 0 H THR A 65 75.981 -4.312 5.268 1.00 0.00 H new ATOM 0 HA THR A 65 78.395 -3.437 3.841 1.00 0.00 H new ATOM 0 HB THR A 65 77.411 -6.272 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.077 -6.480 6.030 1.00 0.00 H new ATOM 0 HG21 THR A 65 79.795 -6.682 4.341 1.00 0.00 H new ATOM 0 HG22 THR A 65 79.629 -5.626 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.063 -4.930 4.498 1.00 0.00 H new ATOM 979 N ASP A 66 77.837 -4.534 1.457 1.00 0.00 N ATOM 980 CA ASP A 66 77.355 -4.660 0.056 1.00 0.00 C ATOM 981 C ASP A 66 76.421 -5.867 -0.053 1.00 0.00 C ATOM 982 O ASP A 66 75.452 -5.851 -0.788 1.00 0.00 O ATOM 983 CB ASP A 66 78.550 -4.848 -0.883 1.00 0.00 C ATOM 984 CG ASP A 66 79.475 -3.634 -0.777 1.00 0.00 C ATOM 985 OD1 ASP A 66 79.037 -2.623 -0.255 1.00 0.00 O ATOM 986 OD2 ASP A 66 80.607 -3.737 -1.220 1.00 0.00 O ATOM 0 H ASP A 66 78.835 -4.696 1.591 1.00 0.00 H new ATOM 0 HA ASP A 66 76.815 -3.756 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 66 79.093 -5.756 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.205 -4.967 -1.910 1.00 0.00 H new ATOM 991 N ALA A 67 76.700 -6.913 0.677 1.00 0.00 N ATOM 992 CA ALA A 67 75.826 -8.118 0.619 1.00 0.00 C ATOM 993 C ALA A 67 74.474 -7.799 1.260 1.00 0.00 C ATOM 994 O ALA A 67 73.433 -8.135 0.737 1.00 0.00 O ATOM 995 CB ALA A 67 76.491 -9.269 1.376 1.00 0.00 C ATOM 0 H ALA A 67 77.496 -6.984 1.311 1.00 0.00 H new ATOM 0 HA ALA A 67 75.676 -8.407 -0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 67 75.851 -10.150 1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.454 -9.497 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.643 -8.981 2.416 1.00 0.00 H new ATOM 1001 N GLU A 68 74.480 -7.151 2.392 1.00 0.00 N ATOM 1002 CA GLU A 68 73.194 -6.814 3.059 1.00 0.00 C ATOM 1003 C GLU A 68 72.394 -5.866 2.164 1.00 0.00 C ATOM 1004 O GLU A 68 71.182 -5.928 2.101 1.00 0.00 O ATOM 1005 CB GLU A 68 73.478 -6.136 4.402 1.00 0.00 C ATOM 1006 CG GLU A 68 73.875 -7.194 5.434 1.00 0.00 C ATOM 1007 CD GLU A 68 72.617 -7.883 5.969 1.00 0.00 C ATOM 1008 OE1 GLU A 68 71.668 -8.010 5.214 1.00 0.00 O ATOM 1009 OE2 GLU A 68 72.627 -8.272 7.126 1.00 0.00 O ATOM 0 H GLU A 68 75.319 -6.841 2.882 1.00 0.00 H new ATOM 0 HA GLU A 68 72.620 -7.725 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 68 74.278 -5.404 4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 68 72.595 -5.594 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.540 -7.929 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 68 74.425 -6.730 6.253 1.00 0.00 H new ATOM 1016 N ALA A 69 73.065 -4.988 1.472 1.00 0.00 N ATOM 1017 CA ALA A 69 72.352 -4.034 0.578 1.00 0.00 C ATOM 1018 C ALA A 69 71.610 -4.808 -0.513 1.00 0.00 C ATOM 1019 O ALA A 69 70.479 -4.507 -0.840 1.00 0.00 O ATOM 1020 CB ALA A 69 73.367 -3.086 -0.063 1.00 0.00 C ATOM 0 H ALA A 69 74.080 -4.890 1.487 1.00 0.00 H new ATOM 0 HA ALA A 69 71.633 -3.458 1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.848 -2.386 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.891 -2.533 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 69 74.086 -3.662 -0.645 1.00 0.00 H new ATOM 1026 N LYS A 70 72.236 -5.800 -1.081 1.00 0.00 N ATOM 1027 CA LYS A 70 71.563 -6.586 -2.149 1.00 0.00 C ATOM 1028 C LYS A 70 70.382 -7.350 -1.548 1.00 0.00 C ATOM 1029 O LYS A 70 69.398 -7.616 -2.209 1.00 0.00 O ATOM 1030 CB LYS A 70 72.560 -7.567 -2.780 1.00 0.00 C ATOM 1031 CG LYS A 70 72.859 -8.722 -1.821 1.00 0.00 C ATOM 1032 CD LYS A 70 72.494 -10.048 -2.490 1.00 0.00 C ATOM 1033 CE LYS A 70 72.327 -11.130 -1.420 1.00 0.00 C ATOM 1034 NZ LYS A 70 71.222 -12.050 -1.812 1.00 0.00 N ATOM 0 H LYS A 70 73.184 -6.100 -0.852 1.00 0.00 H new ATOM 0 HA LYS A 70 71.198 -5.911 -2.923 1.00 0.00 H new ATOM 0 HB2 LYS A 70 72.153 -7.958 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS A 70 73.484 -7.045 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 70 73.914 -8.718 -1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 72.291 -8.599 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 70 71.571 -9.939 -3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 73.272 -10.337 -3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 70 73.256 -11.689 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 70 72.108 -10.672 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 71.108 -12.785 -1.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 70.337 -11.511 -1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 71.449 -12.496 -2.724 1.00 0.00 H new ATOM 1048 N GLN A 71 70.474 -7.704 -0.296 1.00 0.00 N ATOM 1049 CA GLN A 71 69.365 -8.445 0.355 1.00 0.00 C ATOM 1050 C GLN A 71 68.250 -7.470 0.725 1.00 0.00 C ATOM 1051 O GLN A 71 67.112 -7.853 0.889 1.00 0.00 O ATOM 1052 CB GLN A 71 69.877 -9.133 1.622 1.00 0.00 C ATOM 1053 CG GLN A 71 68.689 -9.645 2.441 1.00 0.00 C ATOM 1054 CD GLN A 71 68.504 -8.769 3.682 1.00 0.00 C ATOM 1055 OE1 GLN A 71 69.283 -8.840 4.611 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.495 -7.939 3.739 1.00 0.00 N ATOM 0 H GLN A 71 71.275 -7.509 0.305 1.00 0.00 H new ATOM 0 HA GLN A 71 68.981 -9.196 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.535 -9.961 1.358 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.467 -8.434 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.783 -9.630 1.835 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.858 -10.681 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.840 -7.878 2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 71 67.363 -7.352 4.563 1.00 0.00 H new ATOM 1065 N LEU A 72 68.567 -6.214 0.862 1.00 0.00 N ATOM 1066 CA LEU A 72 67.517 -5.222 1.225 1.00 0.00 C ATOM 1067 C LEU A 72 66.712 -4.862 -0.022 1.00 0.00 C ATOM 1068 O LEU A 72 65.514 -4.679 0.035 1.00 0.00 O ATOM 1069 CB LEU A 72 68.174 -3.963 1.795 1.00 0.00 C ATOM 1070 CG LEU A 72 68.747 -4.270 3.177 1.00 0.00 C ATOM 1071 CD1 LEU A 72 70.067 -3.520 3.359 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.753 -3.823 4.251 1.00 0.00 C ATOM 0 H LEU A 72 69.505 -5.831 0.739 1.00 0.00 H new ATOM 0 HA LEU A 72 66.854 -5.651 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 72 68.966 -3.620 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.443 -3.157 1.863 1.00 0.00 H new ATOM 0 HG LEU A 72 68.923 -5.342 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 72 70.477 -3.739 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.775 -3.838 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 72 69.892 -2.448 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 72 68.161 -4.042 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.577 -2.751 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.812 -4.357 4.121 1.00 0.00 H new ATOM 1084 N ALA A 73 67.358 -4.768 -1.150 1.00 0.00 N ATOM 1085 CA ALA A 73 66.620 -4.432 -2.397 1.00 0.00 C ATOM 1086 C ALA A 73 65.973 -5.705 -2.941 1.00 0.00 C ATOM 1087 O ALA A 73 64.915 -5.674 -3.536 1.00 0.00 O ATOM 1088 CB ALA A 73 67.594 -3.865 -3.433 1.00 0.00 C ATOM 0 H ALA A 73 68.362 -4.909 -1.262 1.00 0.00 H new ATOM 0 HA ALA A 73 65.853 -3.687 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.052 -3.619 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.064 -2.965 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.361 -4.607 -3.655 1.00 0.00 H new ATOM 1094 N GLN A 74 66.601 -6.828 -2.727 1.00 0.00 N ATOM 1095 CA GLN A 74 66.025 -8.110 -3.216 1.00 0.00 C ATOM 1096 C GLN A 74 64.873 -8.516 -2.297 1.00 0.00 C ATOM 1097 O GLN A 74 63.896 -9.097 -2.725 1.00 0.00 O ATOM 1098 CB GLN A 74 67.106 -9.192 -3.199 1.00 0.00 C ATOM 1099 CG GLN A 74 67.981 -9.055 -4.447 1.00 0.00 C ATOM 1100 CD GLN A 74 68.804 -10.331 -4.636 1.00 0.00 C ATOM 1101 OE1 GLN A 74 68.452 -11.376 -4.127 1.00 0.00 O ATOM 1102 NE2 GLN A 74 69.894 -10.288 -5.354 1.00 0.00 N ATOM 0 H GLN A 74 67.490 -6.912 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 74 65.657 -7.989 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 74 67.717 -9.098 -2.301 1.00 0.00 H new ATOM 0 HB3 GLN A 74 66.647 -10.180 -3.170 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.358 -8.878 -5.324 1.00 0.00 H new ATOM 0 HG3 GLN A 74 68.642 -8.194 -4.348 1.00 0.00 H new ATOM 0 HE21 GLN A 74 70.189 -9.410 -5.781 1.00 0.00 H new ATOM 0 HE22 GLN A 74 70.450 -11.132 -5.488 1.00 0.00 H new ATOM 1111 N TRP A 75 64.980 -8.205 -1.035 1.00 0.00 N ATOM 1112 CA TRP A 75 63.892 -8.561 -0.081 1.00 0.00 C ATOM 1113 C TRP A 75 62.722 -7.589 -0.275 1.00 0.00 C ATOM 1114 O TRP A 75 61.578 -7.988 -0.349 1.00 0.00 O ATOM 1115 CB TRP A 75 64.435 -8.469 1.352 1.00 0.00 C ATOM 1116 CG TRP A 75 63.318 -8.264 2.327 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.242 -9.071 2.469 1.00 0.00 C ATOM 1118 CD2 TRP A 75 63.158 -7.191 3.294 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.430 -8.557 3.465 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.954 -7.398 4.005 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.939 -6.068 3.619 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.536 -6.518 5.004 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.523 -5.180 4.624 1.00 0.00 C ATOM 1124 CH2 TRP A 75 62.324 -5.405 5.317 1.00 0.00 C ATOM 0 H TRP A 75 65.776 -7.719 -0.622 1.00 0.00 H new ATOM 0 HA TRP A 75 63.542 -9.577 -0.263 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.978 -9.381 1.600 1.00 0.00 H new ATOM 0 HB3 TRP A 75 65.145 -7.645 1.425 1.00 0.00 H new ATOM 0 HD1 TRP A 75 62.048 -9.968 1.899 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.552 -8.982 3.764 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.864 -5.887 3.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.611 -6.695 5.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 64.129 -4.319 4.865 1.00 0.00 H new ATOM 0 HH2 TRP A 75 62.010 -4.720 6.091 1.00 0.00 H new ATOM 1135 N ILE A 76 63.002 -6.316 -0.365 1.00 0.00 N ATOM 1136 CA ILE A 76 61.906 -5.326 -0.561 1.00 0.00 C ATOM 1137 C ILE A 76 61.212 -5.604 -1.895 1.00 0.00 C ATOM 1138 O ILE A 76 60.010 -5.487 -2.017 1.00 0.00 O ATOM 1139 CB ILE A 76 62.491 -3.912 -0.577 1.00 0.00 C ATOM 1140 CG1 ILE A 76 62.915 -3.517 0.839 1.00 0.00 C ATOM 1141 CG2 ILE A 76 61.437 -2.927 -1.087 1.00 0.00 C ATOM 1142 CD1 ILE A 76 63.780 -2.257 0.777 1.00 0.00 C ATOM 0 H ILE A 76 63.941 -5.921 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 76 61.186 -5.410 0.253 1.00 0.00 H new ATOM 0 HB ILE A 76 63.359 -3.888 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.035 -3.338 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.471 -4.331 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 76 61.855 -1.920 -1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.137 -3.206 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 76 60.568 -2.952 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.083 -1.974 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 76 64.666 -2.453 0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.208 -1.445 0.329 1.00 0.00 H new ATOM 1154 N LEU A 77 61.963 -5.975 -2.895 1.00 0.00 N ATOM 1155 CA LEU A 77 61.349 -6.264 -4.220 1.00 0.00 C ATOM 1156 C LEU A 77 60.461 -7.504 -4.104 1.00 0.00 C ATOM 1157 O LEU A 77 59.392 -7.571 -4.677 1.00 0.00 O ATOM 1158 CB LEU A 77 62.452 -6.519 -5.247 1.00 0.00 C ATOM 1159 CG LEU A 77 62.895 -5.191 -5.863 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.056 -5.436 -6.830 1.00 0.00 C ATOM 1161 CD2 LEU A 77 61.725 -4.566 -6.624 1.00 0.00 C ATOM 0 H LEU A 77 62.976 -6.090 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 77 60.748 -5.413 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.300 -7.011 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.090 -7.190 -6.026 1.00 0.00 H new ATOM 0 HG LEU A 77 63.218 -4.515 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 77 64.371 -4.489 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 77 64.892 -5.881 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 77 63.734 -6.113 -7.621 1.00 0.00 H new ATOM 0 HD21 LEU A 77 62.041 -3.620 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 77 61.402 -5.243 -7.415 1.00 0.00 H new ATOM 0 HD23 LEU A 77 60.897 -4.389 -5.937 1.00 0.00 H new ATOM 1173 N SER A 78 60.896 -8.486 -3.362 1.00 0.00 N ATOM 1174 CA SER A 78 60.076 -9.719 -3.204 1.00 0.00 C ATOM 1175 C SER A 78 58.789 -9.374 -2.451 1.00 0.00 C ATOM 1176 O SER A 78 57.779 -10.035 -2.593 1.00 0.00 O ATOM 1177 CB SER A 78 60.869 -10.761 -2.413 1.00 0.00 C ATOM 1178 OG SER A 78 60.617 -12.051 -2.955 1.00 0.00 O ATOM 0 H SER A 78 61.783 -8.487 -2.859 1.00 0.00 H new ATOM 0 HA SER A 78 59.828 -10.124 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 78 61.935 -10.536 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.582 -10.733 -1.362 1.00 0.00 H new ATOM 0 HG SER A 78 61.125 -12.722 -2.452 1.00 0.00 H new ATOM 1184 N ILE A 79 58.819 -8.341 -1.653 1.00 0.00 N ATOM 1185 CA ILE A 79 57.600 -7.947 -0.890 1.00 0.00 C ATOM 1186 C ILE A 79 56.494 -7.557 -1.874 1.00 0.00 C ATOM 1187 O ILE A 79 56.756 -7.104 -2.971 1.00 0.00 O ATOM 1188 CB ILE A 79 57.933 -6.758 0.019 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.702 -7.256 1.245 1.00 0.00 C ATOM 1190 CG2 ILE A 79 56.642 -6.073 0.477 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.244 -6.060 2.031 1.00 0.00 C ATOM 0 H ILE A 79 59.637 -7.752 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 79 57.260 -8.782 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 79 58.542 -6.044 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.048 -7.854 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.523 -7.902 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 79 56.887 -5.229 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.091 -5.716 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.028 -6.785 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.791 -6.416 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 79 59.913 -5.480 1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.415 -5.431 2.355 1.00 0.00 H new ATOM 1203 N LYS A 80 55.258 -7.731 -1.491 1.00 0.00 N ATOM 1204 CA LYS A 80 54.137 -7.370 -2.404 1.00 0.00 C ATOM 1205 C LYS A 80 52.930 -6.917 -1.579 1.00 0.00 C ATOM 1206 O LYS A 80 53.118 -6.599 -0.416 1.00 0.00 O ATOM 1207 CB LYS A 80 53.753 -8.592 -3.241 1.00 0.00 C ATOM 1208 CG LYS A 80 53.725 -8.209 -4.721 1.00 0.00 C ATOM 1209 CD LYS A 80 52.356 -8.551 -5.310 1.00 0.00 C ATOM 1210 CE LYS A 80 52.262 -8.006 -6.735 1.00 0.00 C ATOM 1211 NZ LYS A 80 50.846 -8.058 -7.195 1.00 0.00 N ATOM 1212 OXT LYS A 80 51.839 -6.896 -2.125 1.00 0.00 O ATOM 0 H LYS A 80 54.977 -8.107 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 80 54.450 -6.559 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 80 54.468 -9.398 -3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 80 52.776 -8.965 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 80 53.926 -7.144 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 80 54.508 -8.742 -5.260 1.00 0.00 H new ATOM 0 HD2 LYS A 80 52.209 -9.631 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 80 51.566 -8.123 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 80 52.629 -6.980 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 80 52.894 -8.592 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 50.782 -7.687 -8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 50.511 -9.043 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 50.255 -7.481 -6.564 1.00 0.00 H new TER 1226 LYS A 80 HETATM 1227 FE HEC A 81 65.616 4.824 3.585 1.00 0.00 FE HETATM 1228 CHA HEC A 81 64.891 5.603 0.379 1.00 0.00 C HETATM 1229 CHB HEC A 81 66.553 1.726 2.638 1.00 0.00 C HETATM 1230 CHC HEC A 81 66.619 4.174 6.746 1.00 0.00 C HETATM 1231 CHD HEC A 81 64.327 7.775 4.603 1.00 0.00 C HETATM 1232 NA HEC A 81 65.712 3.876 1.880 1.00 0.00 N HETATM 1233 C1A HEC A 81 65.397 4.351 0.627 1.00 0.00 C HETATM 1234 C2A HEC A 81 65.605 3.344 -0.387 1.00 0.00 C HETATM 1235 C3A HEC A 81 66.050 2.245 0.255 1.00 0.00 C HETATM 1236 C4A HEC A 81 66.111 2.580 1.656 1.00 0.00 C HETATM 1237 CMA HEC A 81 66.420 0.911 -0.373 1.00 0.00 C HETATM 1238 CAA HEC A 81 65.337 3.481 -1.877 1.00 0.00 C HETATM 1239 CBA HEC A 81 66.244 4.538 -2.509 1.00 0.00 C HETATM 1240 CGA HEC A 81 65.944 4.637 -4.007 1.00 0.00 C HETATM 1241 O1A HEC A 81 65.988 5.738 -4.529 1.00 0.00 O HETATM 1242 O2A HEC A 81 65.675 3.608 -4.606 1.00 0.00 O HETATM 1243 NB HEC A 81 66.402 3.284 4.494 1.00 0.00 N HETATM 1244 C1B HEC A 81 66.697 2.049 3.965 1.00 0.00 C HETATM 1245 C2B HEC A 81 67.222 1.157 4.975 1.00 0.00 C HETATM 1246 C3B HEC A 81 67.254 1.859 6.124 1.00 0.00 C HETATM 1247 C4B HEC A 81 66.765 3.177 5.816 1.00 0.00 C HETATM 1248 CMB HEC A 81 67.644 -0.292 4.790 1.00 0.00 C HETATM 1249 CAB HEC A 81 67.636 1.353 7.510 1.00 0.00 C HETATM 1250 CBB HEC A 81 69.141 1.123 7.653 1.00 0.00 C HETATM 1251 NC HEC A 81 65.523 5.775 5.289 1.00 0.00 N HETATM 1252 C1C HEC A 81 66.041 5.394 6.504 1.00 0.00 C HETATM 1253 C2C HEC A 81 65.770 6.374 7.526 1.00 0.00 C HETATM 1254 C3C HEC A 81 65.020 7.328 6.944 1.00 0.00 C HETATM 1255 C4C HEC A 81 64.907 6.975 5.553 1.00 0.00 C HETATM 1256 CMC HEC A 81 66.277 6.362 8.958 1.00 0.00 C HETATM 1257 CAC HEC A 81 64.339 8.497 7.643 1.00 0.00 C HETATM 1258 CBC HEC A 81 65.288 9.250 8.575 1.00 0.00 C HETATM 1259 ND HEC A 81 64.803 6.358 2.688 1.00 0.00 N HETATM 1260 C1D HEC A 81 64.298 7.505 3.258 1.00 0.00 C HETATM 1261 C2D HEC A 81 63.804 8.418 2.255 1.00 0.00 C HETATM 1262 C3D HEC A 81 64.025 7.832 1.064 1.00 0.00 C HETATM 1263 C4D HEC A 81 64.615 6.545 1.339 1.00 0.00 C HETATM 1264 CMD HEC A 81 63.154 9.774 2.486 1.00 0.00 C HETATM 1265 CAD HEC A 81 63.776 8.449 -0.299 1.00 0.00 C HETATM 1266 CBD HEC A 81 64.925 9.383 -0.684 1.00 0.00 C HETATM 1267 CGD HEC A 81 65.939 8.619 -1.538 1.00 0.00 C HETATM 1268 O1D HEC A 81 65.525 8.008 -2.509 1.00 0.00 O HETATM 1269 O2D HEC A 81 67.113 8.659 -1.206 1.00 0.00 O HETATM 0 HMD3 HEC A 81 62.254 9.648 3.087 1.00 0.00 H new HETATM 0 HMD2 HEC A 81 63.852 10.427 3.010 1.00 0.00 H new HETATM 0 HMD1 HEC A 81 62.890 10.219 1.527 1.00 0.00 H new HETATM 0 HMC3 HEC A 81 65.929 5.459 9.460 1.00 0.00 H new HETATM 0 HMC2 HEC A 81 67.367 6.380 8.958 1.00 0.00 H new HETATM 0 HMC1 HEC A 81 65.900 7.238 9.485 1.00 0.00 H new HETATM 0 HMB3 HEC A 81 66.792 -0.878 4.443 1.00 0.00 H new HETATM 0 HMB2 HEC A 81 68.446 -0.346 4.053 1.00 0.00 H new HETATM 0 HMB1 HEC A 81 67.997 -0.692 5.740 1.00 0.00 H new HETATM 0 HMA3 HEC A 81 65.552 0.497 -0.886 1.00 0.00 H new HETATM 0 HMA2 HEC A 81 67.229 1.058 -1.089 1.00 0.00 H new HETATM 0 HMA1 HEC A 81 66.745 0.220 0.405 1.00 0.00 H new HETATM 0 HBD2 HEC A 81 64.541 10.241 -1.236 1.00 0.00 H new HETATM 0 HBD1 HEC A 81 65.408 9.772 0.213 1.00 0.00 H new HETATM 0 HBC3 HEC A 81 65.661 8.570 9.341 1.00 0.00 H new HETATM 0 HBC2 HEC A 81 66.126 9.644 8.000 1.00 0.00 H new HETATM 0 HBC1 HEC A 81 64.755 10.074 9.049 1.00 0.00 H new HETATM 0 HBB3 HEC A 81 69.467 0.382 6.923 1.00 0.00 H new HETATM 0 HBB2 HEC A 81 69.670 2.060 7.480 1.00 0.00 H new HETATM 0 HBB1 HEC A 81 69.360 0.763 8.658 1.00 0.00 H new HETATM 0 HBA2 HEC A 81 66.083 5.504 -2.030 1.00 0.00 H new HETATM 0 HBA1 HEC A 81 67.290 4.275 -2.353 1.00 0.00 H new HETATM 0 HAD2 HEC A 81 63.673 7.663 -1.047 1.00 0.00 H new HETATM 0 HAD1 HEC A 81 62.838 9.003 -0.288 1.00 0.00 H new HETATM 0 HAA2 HEC A 81 65.497 2.521 -2.367 1.00 0.00 H new HETATM 0 HAA1 HEC A 81 64.293 3.751 -2.038 1.00 0.00 H new HETATM 0 HHD HEC A 81 63.853 8.696 4.942 1.00 0.00 H new HETATM 0 HHC HEC A 81 66.990 3.983 7.753 1.00 0.00 H new HETATM 0 HHB HEC A 81 66.810 0.710 2.339 1.00 0.00 H new HETATM 0 HHA HEC A 81 64.693 5.869 -0.659 1.00 0.00 H new