USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 52 ASN : amide:sc= -0.684 X(o=-0.76,f=-0.61) USER MOD Set 1.2: A 110 HEC O2A : rot -140:sc= -0.0734 USER MOD Set 2.1: A 67 TYR OH : rot 174:sc= 1.09 USER MOD Set 2.2: A 110 HEC O2D : rot -136:sc= -1.63 USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.506 USER MOD Set 3.2: A 27 LYS NZ :NH3+ 146:sc= 2.03 (180deg=-0.959) USER MOD Single : A 1 GLY N :NH3+ 143:sc= 1.33 (180deg=0.897) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= 0.888 (180deg=0.436) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.588) USER MOD Single : A 16 GLN : amide:sc= 0.0723 K(o=0.072,f=-3.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0051) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.38 K(o=-1.4,f=-10!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 90:sc= 0.0125 USER MOD Single : A 42 GLN : amide:sc= 0.993 K(o=0.99,f=-0.059) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -130:sc= -0.0159 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -125:sc= -0.254 (180deg=-0.503) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -162:sc= 0.944 USER MOD Single : A 65 MET CE :methyl 180:sc= -0.342 (180deg=-0.342) USER MOD Single : A 70 ASN : amide:sc= -0.51 K(o=-0.51,f=-1.2) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 155:sc= 1.23 USER MOD Single : A 78 THR OG1 : rot -60:sc= -0.186 USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= -0.0988 (180deg=-0.204) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0575) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -61:sc= 1.26 USER MOD Single : A 103 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.912 -3.839 -15.819 1.00 10.00 N ATOM 2 CA GLY A 1 -3.538 -3.861 -15.382 1.00 10.00 C ATOM 3 C GLY A 1 -3.025 -5.258 -15.686 1.00 10.00 C ATOM 4 O GLY A 1 -3.775 -6.221 -15.531 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.477 -3.268 -15.159 1.00 10.00 H new ATOM 0 H2 GLY A 1 -4.967 -3.423 -16.771 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.284 -4.810 -15.843 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -2.950 -3.107 -15.905 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.464 -3.641 -14.317 1.00 10.00 H new ATOM 10 N ASP A 2 -1.809 -5.354 -16.192 1.00 10.00 N ATOM 11 CA ASP A 2 -1.081 -6.611 -16.320 1.00 10.00 C ATOM 12 C ASP A 2 -0.698 -7.163 -14.944 1.00 10.00 C ATOM 13 O ASP A 2 -0.014 -6.496 -14.170 1.00 10.00 O ATOM 14 CB ASP A 2 0.209 -6.424 -17.117 1.00 10.00 C ATOM 15 CG ASP A 2 0.944 -7.750 -17.292 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.341 -8.812 -17.016 1.00 10.00 O ATOM 17 OD2 ASP A 2 2.153 -7.684 -17.593 1.00 10.00 O ATOM 0 H ASP A 2 -1.287 -4.547 -16.533 1.00 10.00 H new ATOM 0 HA ASP A 2 -1.743 -7.305 -16.837 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -0.022 -6.001 -18.095 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.856 -5.711 -16.606 1.00 10.00 H new ATOM 22 N VAL A 3 -1.077 -8.408 -14.666 1.00 10.00 N ATOM 23 CA VAL A 3 -0.632 -9.135 -13.489 1.00 10.00 C ATOM 24 C VAL A 3 0.879 -9.364 -13.527 1.00 10.00 C ATOM 25 O VAL A 3 1.536 -9.219 -12.496 1.00 10.00 O ATOM 26 CB VAL A 3 -1.410 -10.462 -13.390 1.00 10.00 C ATOM 27 CG1 VAL A 3 -0.868 -11.376 -12.282 1.00 10.00 C ATOM 28 CG2 VAL A 3 -2.896 -10.191 -13.125 1.00 10.00 C ATOM 0 H VAL A 3 -1.709 -8.943 -15.261 1.00 10.00 H new ATOM 0 HA VAL A 3 -0.838 -8.544 -12.597 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.282 -10.971 -14.345 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.450 -12.297 -12.253 1.00 10.00 H new ATOM 0 HG12 VAL A 3 0.177 -11.613 -12.484 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -0.946 -10.868 -11.321 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.432 -11.138 -13.058 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.005 -9.645 -12.188 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.309 -9.598 -13.941 1.00 10.00 H new ATOM 38 N GLU A 4 1.443 -9.738 -14.680 1.00 10.00 N ATOM 39 CA GLU A 4 2.862 -10.061 -14.732 1.00 10.00 C ATOM 40 C GLU A 4 3.672 -8.808 -14.439 1.00 10.00 C ATOM 41 O GLU A 4 4.428 -8.761 -13.467 1.00 10.00 O ATOM 42 CB GLU A 4 3.260 -10.680 -16.078 1.00 10.00 C ATOM 43 CG GLU A 4 3.334 -12.213 -15.974 1.00 10.00 C ATOM 44 CD GLU A 4 4.469 -12.676 -15.052 1.00 10.00 C ATOM 45 OE1 GLU A 4 5.641 -12.458 -15.431 1.00 10.00 O ATOM 46 OE2 GLU A 4 4.158 -13.205 -13.959 1.00 10.00 O ATOM 0 H GLU A 4 0.948 -9.822 -15.568 1.00 10.00 H new ATOM 0 HA GLU A 4 3.075 -10.813 -13.972 1.00 10.00 H new ATOM 0 HB2 GLU A 4 2.535 -10.397 -16.842 1.00 10.00 H new ATOM 0 HB3 GLU A 4 4.226 -10.285 -16.393 1.00 10.00 H new ATOM 0 HG2 GLU A 4 2.385 -12.597 -15.600 1.00 10.00 H new ATOM 0 HG3 GLU A 4 3.480 -12.636 -16.968 1.00 10.00 H new ATOM 53 N LYS A 5 3.497 -7.767 -15.252 1.00 10.00 N ATOM 54 CA LYS A 5 4.156 -6.510 -14.995 1.00 10.00 C ATOM 55 C LYS A 5 3.822 -6.042 -13.589 1.00 10.00 C ATOM 56 O LYS A 5 4.733 -5.650 -12.878 1.00 10.00 O ATOM 57 CB LYS A 5 3.878 -5.454 -16.058 1.00 10.00 C ATOM 58 CG LYS A 5 4.788 -5.604 -17.286 1.00 10.00 C ATOM 59 CD LYS A 5 5.445 -4.256 -17.615 1.00 10.00 C ATOM 60 CE LYS A 5 6.548 -3.921 -16.593 1.00 10.00 C ATOM 61 NZ LYS A 5 6.891 -2.484 -16.583 1.00 10.00 N ATOM 0 H LYS A 5 2.908 -7.779 -16.084 1.00 10.00 H new ATOM 0 HA LYS A 5 5.232 -6.672 -15.057 1.00 10.00 H new ATOM 0 HB2 LYS A 5 2.836 -5.523 -16.371 1.00 10.00 H new ATOM 0 HB3 LYS A 5 4.016 -4.463 -15.626 1.00 10.00 H new ATOM 0 HG2 LYS A 5 5.554 -6.355 -17.093 1.00 10.00 H new ATOM 0 HG3 LYS A 5 4.207 -5.954 -18.140 1.00 10.00 H new ATOM 0 HD2 LYS A 5 5.870 -4.289 -18.618 1.00 10.00 H new ATOM 0 HD3 LYS A 5 4.691 -3.469 -17.614 1.00 10.00 H new ATOM 0 HE2 LYS A 5 6.220 -4.220 -15.598 1.00 10.00 H new ATOM 0 HE3 LYS A 5 7.441 -4.503 -16.822 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.880 -2.365 -16.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.769 -2.091 -17.538 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.266 -1.982 -15.920 1.00 10.00 H new ATOM 75 N GLY A 6 2.567 -6.146 -13.152 1.00 10.00 N ATOM 76 CA GLY A 6 2.182 -5.826 -11.790 1.00 10.00 C ATOM 77 C GLY A 6 3.072 -6.485 -10.732 1.00 10.00 C ATOM 78 O GLY A 6 3.522 -5.825 -9.791 1.00 10.00 O ATOM 0 H GLY A 6 1.792 -6.456 -13.739 1.00 10.00 H new ATOM 0 HA2 GLY A 6 2.213 -4.745 -11.657 1.00 10.00 H new ATOM 0 HA3 GLY A 6 1.150 -6.137 -11.630 1.00 10.00 H new ATOM 82 N LYS A 7 3.328 -7.788 -10.886 1.00 10.00 N ATOM 83 CA LYS A 7 4.146 -8.577 -9.988 1.00 10.00 C ATOM 84 C LYS A 7 5.513 -7.926 -9.931 1.00 10.00 C ATOM 85 O LYS A 7 6.031 -7.619 -8.858 1.00 10.00 O ATOM 86 CB LYS A 7 4.202 -10.019 -10.519 1.00 10.00 C ATOM 87 CG LYS A 7 4.917 -11.004 -9.593 1.00 10.00 C ATOM 88 CD LYS A 7 5.009 -12.368 -10.298 1.00 10.00 C ATOM 89 CE LYS A 7 4.770 -13.521 -9.314 1.00 10.00 C ATOM 90 NZ LYS A 7 4.851 -14.835 -9.988 1.00 10.00 N ATOM 0 H LYS A 7 2.956 -8.330 -11.666 1.00 10.00 H new ATOM 0 HA LYS A 7 3.739 -8.617 -8.978 1.00 10.00 H new ATOM 0 HB2 LYS A 7 3.184 -10.371 -10.688 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.704 -10.018 -11.486 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.914 -10.637 -9.349 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.374 -11.101 -8.653 1.00 10.00 H new ATOM 0 HD2 LYS A 7 4.274 -12.415 -11.102 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.991 -12.477 -10.758 1.00 10.00 H new ATOM 0 HE2 LYS A 7 5.508 -13.476 -8.513 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.790 -13.408 -8.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 4.685 -15.592 -9.294 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 4.130 -14.886 -10.736 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.795 -14.952 -10.408 1.00 10.00 H new ATOM 104 N LYS A 8 6.099 -7.700 -11.106 1.00 10.00 N ATOM 105 CA LYS A 8 7.448 -7.179 -11.145 1.00 10.00 C ATOM 106 C LYS A 8 7.480 -5.744 -10.611 1.00 10.00 C ATOM 107 O LYS A 8 8.377 -5.397 -9.857 1.00 10.00 O ATOM 108 CB LYS A 8 8.099 -7.354 -12.524 1.00 10.00 C ATOM 109 CG LYS A 8 7.801 -8.705 -13.208 1.00 10.00 C ATOM 110 CD LYS A 8 7.937 -9.962 -12.326 1.00 10.00 C ATOM 111 CE LYS A 8 9.386 -10.455 -12.208 1.00 10.00 C ATOM 112 NZ LYS A 8 9.668 -11.546 -13.166 1.00 10.00 N ATOM 0 H LYS A 8 5.669 -7.866 -12.016 1.00 10.00 H new ATOM 0 HA LYS A 8 8.072 -7.771 -10.476 1.00 10.00 H new ATOM 0 HB2 LYS A 8 7.760 -6.549 -13.176 1.00 10.00 H new ATOM 0 HB3 LYS A 8 9.178 -7.245 -12.418 1.00 10.00 H new ATOM 0 HG2 LYS A 8 6.785 -8.672 -13.602 1.00 10.00 H new ATOM 0 HG3 LYS A 8 8.471 -8.812 -14.061 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.550 -9.745 -11.330 1.00 10.00 H new ATOM 0 HD3 LYS A 8 7.320 -10.759 -12.741 1.00 10.00 H new ATOM 0 HE2 LYS A 8 10.069 -9.625 -12.389 1.00 10.00 H new ATOM 0 HE3 LYS A 8 9.571 -10.805 -11.192 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 10.655 -11.855 -13.059 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 9.032 -12.347 -12.977 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 9.515 -11.204 -14.136 1.00 10.00 H new ATOM 126 N ILE A 9 6.490 -4.917 -10.944 1.00 10.00 N ATOM 127 CA ILE A 9 6.354 -3.552 -10.472 1.00 10.00 C ATOM 128 C ILE A 9 6.379 -3.545 -8.951 1.00 10.00 C ATOM 129 O ILE A 9 7.236 -2.881 -8.376 1.00 10.00 O ATOM 130 CB ILE A 9 5.083 -2.913 -11.068 1.00 10.00 C ATOM 131 CG1 ILE A 9 5.313 -2.585 -12.555 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.647 -1.637 -10.337 1.00 10.00 C ATOM 133 CD1 ILE A 9 4.010 -2.190 -13.255 1.00 10.00 C ATOM 0 H ILE A 9 5.737 -5.195 -11.573 1.00 10.00 H new ATOM 0 HA ILE A 9 7.191 -2.940 -10.810 1.00 10.00 H new ATOM 0 HB ILE A 9 4.284 -3.644 -10.949 1.00 10.00 H new ATOM 0 HG12 ILE A 9 6.034 -1.772 -12.641 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.747 -3.450 -13.056 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.748 -1.238 -10.806 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.439 -1.869 -9.292 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.444 -0.896 -10.392 1.00 10.00 H new ATOM 0 HD11 ILE A 9 4.213 -1.966 -14.302 1.00 10.00 H new ATOM 0 HD12 ILE A 9 3.299 -3.013 -13.191 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.589 -1.309 -12.770 1.00 10.00 H new ATOM 145 N PHE A 10 5.487 -4.296 -8.299 1.00 10.00 N ATOM 146 CA PHE A 10 5.486 -4.418 -6.844 1.00 10.00 C ATOM 147 C PHE A 10 6.910 -4.663 -6.320 1.00 10.00 C ATOM 148 O PHE A 10 7.372 -4.007 -5.384 1.00 10.00 O ATOM 149 CB PHE A 10 4.530 -5.545 -6.433 1.00 10.00 C ATOM 150 CG PHE A 10 4.463 -5.786 -4.939 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.541 -5.081 -4.143 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.328 -6.723 -4.342 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.456 -5.341 -2.765 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.249 -6.976 -2.963 1.00 10.00 C ATOM 155 CZ PHE A 10 4.309 -6.292 -2.179 1.00 10.00 C ATOM 0 H PHE A 10 4.753 -4.831 -8.763 1.00 10.00 H new ATOM 0 HA PHE A 10 5.137 -3.487 -6.399 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.530 -5.309 -6.797 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.840 -6.467 -6.925 1.00 10.00 H new ATOM 0 HD1 PHE A 10 2.898 -4.339 -4.592 1.00 10.00 H new ATOM 0 HD2 PHE A 10 6.053 -7.248 -4.946 1.00 10.00 H new ATOM 0 HE1 PHE A 10 2.737 -4.811 -2.158 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.912 -7.697 -2.507 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.240 -6.497 -1.121 1.00 10.00 H new ATOM 165 N VAL A 11 7.626 -5.586 -6.967 1.00 10.00 N ATOM 166 CA VAL A 11 8.980 -5.968 -6.588 1.00 10.00 C ATOM 167 C VAL A 11 10.031 -4.913 -6.965 1.00 10.00 C ATOM 168 O VAL A 11 11.104 -4.855 -6.373 1.00 10.00 O ATOM 169 CB VAL A 11 9.297 -7.352 -7.177 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.728 -7.814 -6.874 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.319 -8.379 -6.600 1.00 10.00 C ATOM 0 H VAL A 11 7.273 -6.093 -7.779 1.00 10.00 H new ATOM 0 HA VAL A 11 9.028 -6.027 -5.501 1.00 10.00 H new ATOM 0 HB VAL A 11 9.198 -7.271 -8.259 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.894 -8.797 -7.315 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.437 -7.102 -7.297 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.871 -7.871 -5.795 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.539 -9.363 -7.014 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.422 -8.410 -5.515 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.299 -8.096 -6.859 1.00 10.00 H new ATOM 181 N GLN A 12 9.753 -4.090 -7.971 1.00 10.00 N ATOM 182 CA GLN A 12 10.676 -3.098 -8.501 1.00 10.00 C ATOM 183 C GLN A 12 10.378 -1.704 -7.957 1.00 10.00 C ATOM 184 O GLN A 12 11.077 -0.757 -8.323 1.00 10.00 O ATOM 185 CB GLN A 12 10.560 -3.098 -10.023 1.00 10.00 C ATOM 186 CG GLN A 12 11.071 -4.421 -10.615 1.00 10.00 C ATOM 187 CD GLN A 12 12.584 -4.421 -10.783 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.097 -3.908 -11.771 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.310 -4.990 -9.825 1.00 10.00 N ATOM 0 H GLN A 12 8.854 -4.097 -8.452 1.00 10.00 H new ATOM 0 HA GLN A 12 11.689 -3.357 -8.192 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.520 -2.944 -10.312 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.132 -2.266 -10.435 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.778 -5.246 -9.966 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.598 -4.593 -11.582 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.850 -5.408 -9.016 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.327 -5.009 -9.899 1.00 10.00 H new ATOM 198 N LYS A 13 9.290 -1.549 -7.202 1.00 10.00 N ATOM 199 CA LYS A 13 8.864 -0.298 -6.598 1.00 10.00 C ATOM 200 C LYS A 13 8.894 -0.431 -5.072 1.00 10.00 C ATOM 201 O LYS A 13 9.342 0.492 -4.396 1.00 10.00 O ATOM 202 CB LYS A 13 7.435 0.048 -7.042 1.00 10.00 C ATOM 203 CG LYS A 13 7.245 0.754 -8.396 1.00 10.00 C ATOM 204 CD LYS A 13 7.991 0.195 -9.612 1.00 10.00 C ATOM 205 CE LYS A 13 9.193 1.081 -9.969 1.00 10.00 C ATOM 206 NZ LYS A 13 10.255 0.321 -10.650 1.00 10.00 N ATOM 0 H LYS A 13 8.661 -2.324 -6.990 1.00 10.00 H new ATOM 0 HA LYS A 13 9.541 0.494 -6.917 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.860 -0.878 -7.066 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.991 0.679 -6.272 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.180 0.750 -8.628 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.541 1.796 -8.273 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.331 -0.819 -9.401 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.313 0.134 -10.463 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.863 1.898 -10.611 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.594 1.531 -9.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.875 0.977 -11.166 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.814 -0.202 -9.946 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.827 -0.350 -11.320 1.00 10.00 H new ATOM 220 N CYS A 14 8.362 -1.538 -4.531 1.00 10.00 N ATOM 221 CA CYS A 14 8.071 -1.681 -3.109 1.00 10.00 C ATOM 222 C CYS A 14 8.940 -2.789 -2.480 1.00 10.00 C ATOM 223 O CYS A 14 9.823 -2.483 -1.686 1.00 10.00 O ATOM 224 CB CYS A 14 6.575 -1.861 -2.870 1.00 10.00 C ATOM 225 SG CYS A 14 5.470 -1.374 -4.262 1.00 10.00 S ATOM 0 H CYS A 14 8.122 -2.363 -5.080 1.00 10.00 H new ATOM 0 HA CYS A 14 8.343 -0.758 -2.596 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.388 -2.909 -2.634 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.295 -1.281 -1.990 1.00 10.00 H new ATOM 230 N ALA A 15 8.692 -4.061 -2.827 1.00 10.00 N ATOM 231 CA ALA A 15 9.341 -5.289 -2.334 1.00 10.00 C ATOM 232 C ALA A 15 9.882 -5.277 -0.901 1.00 10.00 C ATOM 233 O ALA A 15 9.260 -5.838 0.001 1.00 10.00 O ATOM 234 CB ALA A 15 10.415 -5.775 -3.311 1.00 10.00 C ATOM 0 H ALA A 15 7.973 -4.277 -3.517 1.00 10.00 H new ATOM 0 HA ALA A 15 8.512 -5.995 -2.284 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.877 -6.682 -2.922 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.958 -5.986 -4.278 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.175 -5.003 -3.430 1.00 10.00 H new ATOM 240 N GLN A 16 11.044 -4.677 -0.638 1.00 10.00 N ATOM 241 CA GLN A 16 11.626 -4.620 0.695 1.00 10.00 C ATOM 242 C GLN A 16 10.900 -3.589 1.576 1.00 10.00 C ATOM 243 O GLN A 16 11.524 -2.899 2.376 1.00 10.00 O ATOM 244 CB GLN A 16 13.133 -4.349 0.588 1.00 10.00 C ATOM 245 CG GLN A 16 13.933 -5.552 0.061 1.00 10.00 C ATOM 246 CD GLN A 16 13.889 -5.715 -1.455 1.00 10.00 C ATOM 247 OE1 GLN A 16 13.461 -4.823 -2.181 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.337 -6.865 -1.951 1.00 10.00 N ATOM 0 H GLN A 16 11.608 -4.215 -1.352 1.00 10.00 H new ATOM 0 HA GLN A 16 11.495 -5.584 1.187 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.296 -3.497 -0.072 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.515 -4.070 1.570 1.00 10.00 H new ATOM 0 HG2 GLN A 16 14.972 -5.449 0.374 1.00 10.00 H new ATOM 0 HG3 GLN A 16 13.549 -6.461 0.524 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.687 -7.589 -1.324 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.330 -7.023 -2.959 1.00 10.00 H new ATOM 257 N CYS A 17 9.569 -3.553 1.486 1.00 10.00 N ATOM 258 CA CYS A 17 8.675 -2.875 2.399 1.00 10.00 C ATOM 259 C CYS A 17 7.413 -3.705 2.550 1.00 10.00 C ATOM 260 O CYS A 17 7.042 -3.963 3.681 1.00 10.00 O ATOM 261 CB CYS A 17 8.347 -1.471 1.973 1.00 10.00 C ATOM 262 SG CYS A 17 9.602 -0.323 2.620 1.00 10.00 S ATOM 0 H CYS A 17 9.069 -4.024 0.731 1.00 10.00 H new ATOM 0 HA CYS A 17 9.183 -2.779 3.359 1.00 10.00 H new ATOM 0 HB2 CYS A 17 8.311 -1.410 0.885 1.00 10.00 H new ATOM 0 HB3 CYS A 17 7.360 -1.191 2.341 1.00 10.00 H new ATOM 267 N HIS A 18 6.763 -4.150 1.468 1.00 10.00 N ATOM 268 CA HIS A 18 5.534 -4.929 1.574 1.00 10.00 C ATOM 269 C HIS A 18 5.798 -6.389 1.249 1.00 10.00 C ATOM 270 O HIS A 18 6.897 -6.749 0.843 1.00 10.00 O ATOM 271 CB HIS A 18 4.472 -4.325 0.663 1.00 10.00 C ATOM 272 CG HIS A 18 3.923 -3.061 1.249 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.151 -2.971 2.385 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.126 -1.799 0.767 1.00 10.00 C ATOM 275 CE1 HIS A 18 2.855 -1.671 2.543 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.432 -0.916 1.592 1.00 10.00 N ATOM 0 H HIS A 18 7.072 -3.981 0.511 1.00 10.00 H new ATOM 0 HA HIS A 18 5.164 -4.893 2.599 1.00 10.00 H new ATOM 0 HB2 HIS A 18 4.902 -4.120 -0.317 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.665 -5.042 0.513 1.00 10.00 H new ATOM 0 HD1 HIS A 18 2.861 -3.741 2.988 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.717 -1.534 -0.097 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.232 -1.281 3.334 1.00 10.00 H new ATOM 284 N THR A 19 4.806 -7.245 1.472 1.00 10.00 N ATOM 285 CA THR A 19 4.912 -8.663 1.179 1.00 10.00 C ATOM 286 C THR A 19 3.703 -9.082 0.354 1.00 10.00 C ATOM 287 O THR A 19 3.874 -9.528 -0.771 1.00 10.00 O ATOM 288 CB THR A 19 5.101 -9.445 2.484 1.00 10.00 C ATOM 289 OG1 THR A 19 6.329 -9.119 3.097 1.00 10.00 O ATOM 290 CG2 THR A 19 5.113 -10.942 2.237 1.00 10.00 C ATOM 0 H THR A 19 3.905 -6.970 1.862 1.00 10.00 H new ATOM 0 HA THR A 19 5.791 -8.889 0.575 1.00 10.00 H new ATOM 0 HB THR A 19 4.264 -9.173 3.127 1.00 10.00 H new ATOM 0 HG1 THR A 19 6.425 -9.629 3.928 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.249 -11.466 3.183 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.167 -11.244 1.787 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.932 -11.193 1.563 1.00 10.00 H new ATOM 298 N VAL A 20 2.509 -8.889 0.910 1.00 10.00 N ATOM 299 CA VAL A 20 1.216 -9.210 0.322 1.00 10.00 C ATOM 300 C VAL A 20 0.975 -10.707 0.161 1.00 10.00 C ATOM 301 O VAL A 20 0.205 -11.104 -0.706 1.00 10.00 O ATOM 302 CB VAL A 20 0.890 -8.425 -0.963 1.00 10.00 C ATOM 303 CG1 VAL A 20 0.908 -6.913 -0.747 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.620 -8.778 -2.262 1.00 10.00 C ATOM 0 H VAL A 20 2.416 -8.479 1.839 1.00 10.00 H new ATOM 0 HA VAL A 20 0.498 -8.861 1.064 1.00 10.00 H new ATOM 0 HB VAL A 20 -0.122 -8.786 -1.147 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.672 -6.409 -1.684 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.168 -6.644 0.006 1.00 10.00 H new ATOM 0 HG13 VAL A 20 1.898 -6.606 -0.409 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.269 -8.129 -3.064 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.693 -8.640 -2.126 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.418 -9.817 -2.522 1.00 10.00 H new ATOM 314 N GLU A 21 1.584 -11.528 1.017 1.00 10.00 N ATOM 315 CA GLU A 21 1.480 -12.976 0.916 1.00 10.00 C ATOM 316 C GLU A 21 1.290 -13.562 2.303 1.00 10.00 C ATOM 317 O GLU A 21 1.599 -12.917 3.308 1.00 10.00 O ATOM 318 CB GLU A 21 2.739 -13.579 0.271 1.00 10.00 C ATOM 319 CG GLU A 21 3.210 -12.805 -0.966 1.00 10.00 C ATOM 320 CD GLU A 21 4.109 -13.630 -1.877 1.00 10.00 C ATOM 321 OE1 GLU A 21 4.748 -14.566 -1.345 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.155 -13.297 -3.082 1.00 10.00 O ATOM 0 H GLU A 21 2.160 -11.206 1.795 1.00 10.00 H new ATOM 0 HA GLU A 21 0.625 -13.218 0.285 1.00 10.00 H new ATOM 0 HB2 GLU A 21 3.543 -13.600 1.007 1.00 10.00 H new ATOM 0 HB3 GLU A 21 2.537 -14.613 -0.010 1.00 10.00 H new ATOM 0 HG2 GLU A 21 2.340 -12.469 -1.530 1.00 10.00 H new ATOM 0 HG3 GLU A 21 3.747 -11.912 -0.646 1.00 10.00 H new ATOM 329 N LYS A 22 0.866 -14.823 2.353 1.00 10.00 N ATOM 330 CA LYS A 22 0.665 -15.547 3.600 1.00 10.00 C ATOM 331 C LYS A 22 1.927 -15.650 4.463 1.00 10.00 C ATOM 332 O LYS A 22 1.839 -15.986 5.640 1.00 10.00 O ATOM 333 CB LYS A 22 0.028 -16.916 3.305 1.00 10.00 C ATOM 334 CG LYS A 22 0.962 -17.923 2.607 1.00 10.00 C ATOM 335 CD LYS A 22 1.867 -18.683 3.602 1.00 10.00 C ATOM 336 CE LYS A 22 3.373 -18.561 3.302 1.00 10.00 C ATOM 337 NZ LYS A 22 3.872 -19.620 2.405 1.00 10.00 N ATOM 0 H LYS A 22 0.651 -15.373 1.521 1.00 10.00 H new ATOM 0 HA LYS A 22 -0.026 -14.967 4.212 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.317 -17.351 4.243 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.853 -16.765 2.681 1.00 10.00 H new ATOM 0 HG2 LYS A 22 0.363 -18.640 2.046 1.00 10.00 H new ATOM 0 HG3 LYS A 22 1.585 -17.395 1.885 1.00 10.00 H new ATOM 0 HD2 LYS A 22 1.676 -18.309 4.608 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.590 -19.737 3.596 1.00 10.00 H new ATOM 0 HE2 LYS A 22 3.570 -17.588 2.851 1.00 10.00 H new ATOM 0 HE3 LYS A 22 3.928 -18.596 4.239 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 4.890 -19.485 2.241 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 3.713 -20.550 2.843 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 3.366 -19.574 1.498 1.00 10.00 H new ATOM 351 N GLY A 23 3.102 -15.390 3.883 1.00 10.00 N ATOM 352 CA GLY A 23 4.369 -15.398 4.602 1.00 10.00 C ATOM 353 C GLY A 23 4.303 -14.443 5.780 1.00 10.00 C ATOM 354 O GLY A 23 4.593 -14.814 6.915 1.00 10.00 O ATOM 0 H GLY A 23 3.196 -15.167 2.892 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.591 -16.406 4.952 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.178 -15.107 3.932 1.00 10.00 H new ATOM 358 N GLY A 24 3.935 -13.200 5.474 1.00 10.00 N ATOM 359 CA GLY A 24 4.050 -12.098 6.399 1.00 10.00 C ATOM 360 C GLY A 24 5.492 -11.810 6.805 1.00 10.00 C ATOM 361 O GLY A 24 6.372 -12.660 6.721 1.00 10.00 O ATOM 0 H GLY A 24 3.547 -12.938 4.568 1.00 10.00 H new ATOM 0 HA2 GLY A 24 3.620 -11.204 5.946 1.00 10.00 H new ATOM 0 HA3 GLY A 24 3.464 -12.317 7.291 1.00 10.00 H new ATOM 365 N LYS A 25 5.733 -10.563 7.204 1.00 10.00 N ATOM 366 CA LYS A 25 6.979 -10.057 7.745 1.00 10.00 C ATOM 367 C LYS A 25 6.647 -8.666 8.262 1.00 10.00 C ATOM 368 O LYS A 25 5.786 -8.003 7.685 1.00 10.00 O ATOM 369 CB LYS A 25 8.078 -9.978 6.675 1.00 10.00 C ATOM 370 CG LYS A 25 8.822 -11.307 6.484 1.00 10.00 C ATOM 371 CD LYS A 25 10.331 -11.066 6.363 1.00 10.00 C ATOM 372 CE LYS A 25 11.055 -12.414 6.241 1.00 10.00 C ATOM 373 NZ LYS A 25 12.524 -12.264 6.266 1.00 10.00 N ATOM 0 H LYS A 25 5.015 -9.840 7.152 1.00 10.00 H new ATOM 0 HA LYS A 25 7.365 -10.715 8.523 1.00 10.00 H new ATOM 0 HB2 LYS A 25 7.634 -9.677 5.726 1.00 10.00 H new ATOM 0 HB3 LYS A 25 8.793 -9.204 6.952 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.620 -11.968 7.327 1.00 10.00 H new ATOM 0 HG3 LYS A 25 8.455 -11.810 5.589 1.00 10.00 H new ATOM 0 HD2 LYS A 25 10.543 -10.447 5.491 1.00 10.00 H new ATOM 0 HD3 LYS A 25 10.695 -10.523 7.235 1.00 10.00 H new ATOM 0 HE2 LYS A 25 10.744 -13.066 7.057 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.757 -12.901 5.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.970 -13.200 6.181 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.825 -11.663 5.472 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 12.813 -11.823 7.163 1.00 10.00 H new ATOM 387 N HIS A 26 7.293 -8.252 9.352 1.00 10.00 N ATOM 388 CA HIS A 26 6.944 -7.004 10.006 1.00 10.00 C ATOM 389 C HIS A 26 7.559 -5.842 9.229 1.00 10.00 C ATOM 390 O HIS A 26 6.845 -4.978 8.731 1.00 10.00 O ATOM 391 CB HIS A 26 7.399 -7.018 11.481 1.00 10.00 C ATOM 392 CG HIS A 26 7.241 -8.338 12.203 1.00 10.00 C ATOM 393 ND1 HIS A 26 8.183 -8.924 13.022 1.00 10.00 N ATOM 394 CD2 HIS A 26 6.183 -9.204 12.110 1.00 10.00 C ATOM 395 CE1 HIS A 26 7.703 -10.120 13.404 1.00 10.00 C ATOM 396 NE2 HIS A 26 6.494 -10.339 12.864 1.00 10.00 N ATOM 0 H HIS A 26 8.056 -8.764 9.794 1.00 10.00 H new ATOM 0 HA HIS A 26 5.861 -6.879 10.010 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.448 -6.726 11.521 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.836 -6.258 12.023 1.00 10.00 H new ATOM 0 HD2 HIS A 26 5.272 -9.039 11.554 1.00 10.00 H new ATOM 0 HE1 HIS A 26 8.219 -10.810 14.056 1.00 10.00 H new ATOM 0 HE2 HIS A 26 5.915 -11.171 12.981 1.00 10.00 H new ATOM 404 N LYS A 27 8.891 -5.884 9.096 1.00 10.00 N ATOM 405 CA LYS A 27 9.723 -4.903 8.407 1.00 10.00 C ATOM 406 C LYS A 27 9.229 -3.461 8.601 1.00 10.00 C ATOM 407 O LYS A 27 8.828 -3.100 9.706 1.00 10.00 O ATOM 408 CB LYS A 27 10.019 -5.348 6.967 1.00 10.00 C ATOM 409 CG LYS A 27 8.759 -5.614 6.150 1.00 10.00 C ATOM 410 CD LYS A 27 9.149 -6.073 4.737 1.00 10.00 C ATOM 411 CE LYS A 27 8.015 -6.892 4.112 1.00 10.00 C ATOM 412 NZ LYS A 27 8.383 -7.492 2.811 1.00 10.00 N ATOM 0 H LYS A 27 9.442 -6.647 9.489 1.00 10.00 H new ATOM 0 HA LYS A 27 10.703 -4.870 8.883 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.611 -4.579 6.470 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.627 -6.253 6.991 1.00 10.00 H new ATOM 0 HG2 LYS A 27 8.152 -6.377 6.637 1.00 10.00 H new ATOM 0 HG3 LYS A 27 8.151 -4.711 6.095 1.00 10.00 H new ATOM 0 HD2 LYS A 27 9.367 -5.206 4.113 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.059 -6.672 4.780 1.00 10.00 H new ATOM 0 HE2 LYS A 27 7.724 -7.684 4.802 1.00 10.00 H new ATOM 0 HE3 LYS A 27 7.144 -6.251 3.977 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.911 -8.413 2.708 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 8.083 -6.861 2.041 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 9.414 -7.624 2.769 1.00 10.00 H new ATOM 426 N THR A 28 9.277 -2.633 7.554 1.00 10.00 N ATOM 427 CA THR A 28 8.690 -1.304 7.574 1.00 10.00 C ATOM 428 C THR A 28 7.241 -1.405 7.106 1.00 10.00 C ATOM 429 O THR A 28 6.325 -1.150 7.881 1.00 10.00 O ATOM 430 CB THR A 28 9.532 -0.349 6.715 1.00 10.00 C ATOM 431 OG1 THR A 28 10.863 -0.363 7.185 1.00 10.00 O ATOM 432 CG2 THR A 28 8.996 1.085 6.778 1.00 10.00 C ATOM 0 H THR A 28 9.726 -2.872 6.670 1.00 10.00 H new ATOM 0 HA THR A 28 8.687 -0.892 8.583 1.00 10.00 H new ATOM 0 HB THR A 28 9.482 -0.686 5.680 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.408 0.243 6.641 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.616 1.733 6.158 1.00 10.00 H new ATOM 0 HG22 THR A 28 7.970 1.106 6.411 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.020 1.438 7.809 1.00 10.00 H new ATOM 440 N GLY A 29 7.017 -1.750 5.834 1.00 10.00 N ATOM 441 CA GLY A 29 5.669 -1.894 5.317 1.00 10.00 C ATOM 442 C GLY A 29 5.014 -3.137 5.922 1.00 10.00 C ATOM 443 O GLY A 29 5.631 -4.199 5.972 1.00 10.00 O ATOM 0 H GLY A 29 7.754 -1.932 5.153 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.081 -1.008 5.557 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.693 -1.976 4.230 1.00 10.00 H new ATOM 447 N PRO A 30 3.766 -3.044 6.395 1.00 10.00 N ATOM 448 CA PRO A 30 3.081 -4.216 6.883 1.00 10.00 C ATOM 449 C PRO A 30 2.764 -5.150 5.715 1.00 10.00 C ATOM 450 O PRO A 30 2.599 -4.720 4.567 1.00 10.00 O ATOM 451 CB PRO A 30 1.844 -3.692 7.620 1.00 10.00 C ATOM 452 CG PRO A 30 1.568 -2.330 6.977 1.00 10.00 C ATOM 453 CD PRO A 30 2.941 -1.856 6.496 1.00 10.00 C ATOM 0 HA PRO A 30 3.678 -4.817 7.570 1.00 10.00 H new ATOM 0 HB2 PRO A 30 0.996 -4.366 7.502 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.029 -3.596 8.690 1.00 10.00 H new ATOM 0 HG2 PRO A 30 0.864 -2.416 6.149 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.134 -1.632 7.693 1.00 10.00 H new ATOM 0 HD2 PRO A 30 2.864 -1.353 5.532 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.373 -1.140 7.196 1.00 10.00 H new ATOM 461 N ASN A 31 2.714 -6.451 6.015 1.00 10.00 N ATOM 462 CA ASN A 31 2.382 -7.477 5.044 1.00 10.00 C ATOM 463 C ASN A 31 0.971 -7.262 4.538 1.00 10.00 C ATOM 464 O ASN A 31 0.023 -7.636 5.227 1.00 10.00 O ATOM 465 CB ASN A 31 2.435 -8.862 5.682 1.00 10.00 C ATOM 466 CG ASN A 31 1.883 -9.915 4.712 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.046 -9.794 3.498 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.253 -10.963 5.226 1.00 10.00 N ATOM 0 H ASN A 31 2.906 -6.816 6.948 1.00 10.00 H new ATOM 0 HA ASN A 31 3.104 -7.414 4.230 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.463 -9.108 5.950 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.855 -8.868 6.605 1.00 10.00 H new ATOM 0 HD21 ASN A 31 0.891 -11.692 4.612 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.131 -11.040 6.236 1.00 10.00 H new ATOM 475 N LEU A 32 0.819 -6.714 3.333 1.00 10.00 N ATOM 476 CA LEU A 32 -0.495 -6.298 2.887 1.00 10.00 C ATOM 477 C LEU A 32 -1.363 -7.446 2.332 1.00 10.00 C ATOM 478 O LEU A 32 -2.077 -7.303 1.338 1.00 10.00 O ATOM 479 CB LEU A 32 -0.391 -5.052 1.998 1.00 10.00 C ATOM 480 CG LEU A 32 -0.503 -3.743 2.794 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.361 -2.607 1.782 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.808 -3.624 3.597 1.00 10.00 C ATOM 0 H LEU A 32 1.575 -6.553 2.667 1.00 10.00 H new ATOM 0 HA LEU A 32 -1.067 -5.994 3.763 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.561 -5.069 1.467 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.178 -5.082 1.244 1.00 10.00 H new ATOM 0 HG LEU A 32 0.282 -3.707 3.550 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.434 -1.649 2.297 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.607 -2.680 1.287 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.155 -2.680 1.039 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.819 -2.676 4.134 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.659 -3.666 2.917 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.873 -4.446 4.310 1.00 10.00 H new ATOM 494 N HIS A 33 -1.311 -8.604 2.990 1.00 10.00 N ATOM 495 CA HIS A 33 -2.050 -9.794 2.608 1.00 10.00 C ATOM 496 C HIS A 33 -3.517 -9.567 2.982 1.00 10.00 C ATOM 497 O HIS A 33 -3.837 -9.253 4.128 1.00 10.00 O ATOM 498 CB HIS A 33 -1.399 -10.993 3.301 1.00 10.00 C ATOM 499 CG HIS A 33 -2.043 -12.335 3.069 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.196 -13.019 1.875 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.401 -13.186 4.077 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.699 -14.230 2.177 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.830 -14.383 3.506 1.00 10.00 N ATOM 0 H HIS A 33 -0.738 -8.738 3.823 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.023 -9.999 1.538 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.360 -11.052 2.976 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.387 -10.801 4.374 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.359 -12.968 5.134 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.963 -14.981 1.447 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.174 -15.208 3.997 1.00 10.00 H new ATOM 511 N GLY A 34 -4.400 -9.652 1.988 1.00 10.00 N ATOM 512 CA GLY A 34 -5.807 -9.314 2.106 1.00 10.00 C ATOM 513 C GLY A 34 -6.038 -7.814 2.301 1.00 10.00 C ATOM 514 O GLY A 34 -6.984 -7.431 2.986 1.00 10.00 O ATOM 0 H GLY A 34 -4.143 -9.968 1.053 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.333 -9.645 1.210 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.238 -9.857 2.948 1.00 10.00 H new ATOM 518 N LEU A 35 -5.206 -6.960 1.685 1.00 10.00 N ATOM 519 CA LEU A 35 -5.455 -5.522 1.610 1.00 10.00 C ATOM 520 C LEU A 35 -6.872 -5.261 1.083 1.00 10.00 C ATOM 521 O LEU A 35 -7.698 -4.655 1.762 1.00 10.00 O ATOM 522 CB LEU A 35 -4.402 -4.873 0.693 1.00 10.00 C ATOM 523 CG LEU A 35 -4.582 -3.372 0.390 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.269 -2.428 1.544 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.679 -2.991 -0.778 1.00 10.00 C ATOM 0 H LEU A 35 -4.343 -7.252 1.226 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.377 -5.082 2.604 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.421 -5.014 1.147 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.395 -5.413 -0.254 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.643 -3.251 0.172 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.428 -1.398 1.225 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.924 -2.652 2.386 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.230 -2.557 1.849 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.799 -1.931 -1.000 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.640 -3.191 -0.515 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.951 -3.578 -1.655 1.00 10.00 H new ATOM 537 N PHE A 36 -7.139 -5.691 -0.153 1.00 10.00 N ATOM 538 CA PHE A 36 -8.412 -5.447 -0.810 1.00 10.00 C ATOM 539 C PHE A 36 -9.526 -6.192 -0.087 1.00 10.00 C ATOM 540 O PHE A 36 -9.552 -7.420 -0.090 1.00 10.00 O ATOM 541 CB PHE A 36 -8.328 -5.831 -2.292 1.00 10.00 C ATOM 542 CG PHE A 36 -7.271 -5.095 -3.097 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.669 -3.918 -2.614 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.951 -5.549 -4.388 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.689 -3.270 -3.371 1.00 10.00 C ATOM 546 CE2 PHE A 36 -5.975 -4.882 -5.151 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.327 -3.755 -4.629 1.00 10.00 C ATOM 0 H PHE A 36 -6.475 -6.217 -0.721 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.645 -4.383 -0.764 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.134 -6.901 -2.362 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.300 -5.653 -2.752 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -6.965 -3.515 -1.657 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -7.456 -6.412 -4.796 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -5.207 -2.386 -2.979 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -5.725 -5.239 -6.139 1.00 10.00 H new ATOM 0 HZ PHE A 36 -4.551 -3.264 -5.197 1.00 10.00 H new ATOM 557 N GLY A 37 -10.439 -5.436 0.526 1.00 10.00 N ATOM 558 CA GLY A 37 -11.524 -5.972 1.328 1.00 10.00 C ATOM 559 C GLY A 37 -11.190 -5.917 2.816 1.00 10.00 C ATOM 560 O GLY A 37 -11.531 -6.839 3.555 1.00 10.00 O ATOM 0 H GLY A 37 -10.439 -4.417 0.474 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.436 -5.406 1.136 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.721 -7.003 1.035 1.00 10.00 H new ATOM 564 N ARG A 38 -10.561 -4.830 3.278 1.00 10.00 N ATOM 565 CA ARG A 38 -10.313 -4.617 4.695 1.00 10.00 C ATOM 566 C ARG A 38 -10.201 -3.121 4.986 1.00 10.00 C ATOM 567 O ARG A 38 -9.869 -2.334 4.095 1.00 10.00 O ATOM 568 CB ARG A 38 -9.066 -5.402 5.136 1.00 10.00 C ATOM 569 CG ARG A 38 -9.180 -5.868 6.595 1.00 10.00 C ATOM 570 CD ARG A 38 -8.058 -6.858 6.947 1.00 10.00 C ATOM 571 NE ARG A 38 -8.584 -8.021 7.683 1.00 10.00 N ATOM 572 CZ ARG A 38 -7.920 -9.171 7.886 1.00 10.00 C ATOM 573 NH1 ARG A 38 -6.645 -9.283 7.497 1.00 10.00 N ATOM 574 NH2 ARG A 38 -8.538 -10.202 8.476 1.00 10.00 N ATOM 0 H ARG A 38 -10.214 -4.081 2.678 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.152 -4.996 5.279 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.931 -6.267 4.486 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.181 -4.776 5.021 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -9.131 -5.006 7.261 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.149 -6.340 6.755 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -7.567 -7.194 6.034 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.302 -6.355 7.549 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.526 -7.947 8.068 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.178 -8.496 7.047 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.140 -10.156 7.651 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.511 -10.113 8.770 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -8.036 -11.076 8.631 1.00 10.00 H new ATOM 588 N LYS A 39 -10.531 -2.742 6.226 1.00 10.00 N ATOM 589 CA LYS A 39 -10.449 -1.373 6.712 1.00 10.00 C ATOM 590 C LYS A 39 -9.053 -1.061 7.243 1.00 10.00 C ATOM 591 O LYS A 39 -8.242 -1.961 7.454 1.00 10.00 O ATOM 592 CB LYS A 39 -11.521 -1.106 7.775 1.00 10.00 C ATOM 593 CG LYS A 39 -12.905 -0.975 7.125 1.00 10.00 C ATOM 594 CD LYS A 39 -14.004 -0.876 8.189 1.00 10.00 C ATOM 595 CE LYS A 39 -14.206 0.549 8.727 1.00 10.00 C ATOM 596 NZ LYS A 39 -15.081 0.561 9.920 1.00 10.00 N ATOM 0 H LYS A 39 -10.869 -3.398 6.930 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.638 -0.705 5.872 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.530 -1.918 8.502 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -11.281 -0.193 8.320 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -12.930 -0.091 6.488 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.092 -1.836 6.483 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -14.943 -1.233 7.765 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -13.757 -1.538 9.019 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -13.239 0.984 8.980 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.643 1.174 7.948 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.196 1.538 10.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -16.012 0.169 9.672 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.651 -0.016 10.671 1.00 10.00 H new ATOM 610 N THR A 40 -8.789 0.229 7.450 1.00 10.00 N ATOM 611 CA THR A 40 -7.520 0.727 7.945 1.00 10.00 C ATOM 612 C THR A 40 -7.487 0.643 9.471 1.00 10.00 C ATOM 613 O THR A 40 -8.404 0.107 10.095 1.00 10.00 O ATOM 614 CB THR A 40 -7.328 2.167 7.448 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.243 3.033 8.083 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.598 2.266 5.951 1.00 10.00 C ATOM 0 H THR A 40 -9.470 0.967 7.272 1.00 10.00 H new ATOM 0 HA THR A 40 -6.698 0.118 7.569 1.00 10.00 H new ATOM 0 HB THR A 40 -6.299 2.447 7.673 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.844 3.384 8.906 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.455 3.296 5.623 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.909 1.615 5.413 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.623 1.958 5.745 1.00 10.00 H new ATOM 624 N GLY A 41 -6.435 1.196 10.080 1.00 10.00 N ATOM 625 CA GLY A 41 -6.289 1.241 11.524 1.00 10.00 C ATOM 626 C GLY A 41 -6.453 -0.106 12.212 1.00 10.00 C ATOM 627 O GLY A 41 -6.958 -0.157 13.335 1.00 10.00 O ATOM 0 H GLY A 41 -5.660 1.626 9.575 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -5.305 1.642 11.766 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.024 1.935 11.930 1.00 10.00 H new ATOM 631 N GLN A 42 -6.030 -1.177 11.542 1.00 10.00 N ATOM 632 CA GLN A 42 -6.145 -2.554 11.982 1.00 10.00 C ATOM 633 C GLN A 42 -4.948 -3.292 11.394 1.00 10.00 C ATOM 634 O GLN A 42 -4.879 -3.468 10.180 1.00 10.00 O ATOM 635 CB GLN A 42 -7.456 -3.161 11.452 1.00 10.00 C ATOM 636 CG GLN A 42 -8.726 -2.637 12.136 1.00 10.00 C ATOM 637 CD GLN A 42 -8.817 -3.078 13.596 1.00 10.00 C ATOM 638 OE1 GLN A 42 -9.337 -4.147 13.891 1.00 10.00 O ATOM 639 NE2 GLN A 42 -8.315 -2.270 14.524 1.00 10.00 N ATOM 0 H GLN A 42 -5.576 -1.096 10.632 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.158 -2.629 13.069 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.527 -2.962 10.383 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.415 -4.244 11.573 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.742 -1.548 12.085 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.602 -2.994 11.595 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -7.887 -1.385 14.252 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -8.358 -2.535 15.508 1.00 10.00 H new ATOM 648 N ALA A 43 -3.996 -3.698 12.237 1.00 10.00 N ATOM 649 CA ALA A 43 -2.817 -4.431 11.811 1.00 10.00 C ATOM 650 C ALA A 43 -2.389 -5.350 12.954 1.00 10.00 C ATOM 651 O ALA A 43 -2.539 -4.969 14.116 1.00 10.00 O ATOM 652 CB ALA A 43 -1.700 -3.450 11.468 1.00 10.00 C ATOM 0 H ALA A 43 -4.028 -3.522 13.241 1.00 10.00 H new ATOM 0 HA ALA A 43 -3.035 -5.025 10.923 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.816 -4.002 11.149 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.028 -2.792 10.663 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.457 -2.853 12.347 1.00 10.00 H new ATOM 658 N PRO A 44 -1.886 -6.557 12.659 1.00 10.00 N ATOM 659 CA PRO A 44 -1.597 -7.540 13.684 1.00 10.00 C ATOM 660 C PRO A 44 -0.318 -7.180 14.447 1.00 10.00 C ATOM 661 O PRO A 44 0.769 -7.618 14.080 1.00 10.00 O ATOM 662 CB PRO A 44 -1.503 -8.879 12.943 1.00 10.00 C ATOM 663 CG PRO A 44 -1.037 -8.479 11.542 1.00 10.00 C ATOM 664 CD PRO A 44 -1.705 -7.120 11.330 1.00 10.00 C ATOM 0 HA PRO A 44 -2.369 -7.584 14.452 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.796 -9.555 13.424 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.465 -9.391 12.915 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.049 -8.408 11.483 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -1.350 -9.204 10.791 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -1.085 -6.471 10.712 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.661 -7.230 10.818 1.00 10.00 H new ATOM 672 N GLY A 45 -0.459 -6.390 15.517 1.00 10.00 N ATOM 673 CA GLY A 45 0.629 -6.062 16.435 1.00 10.00 C ATOM 674 C GLY A 45 1.816 -5.453 15.690 1.00 10.00 C ATOM 675 O GLY A 45 2.951 -5.908 15.816 1.00 10.00 O ATOM 0 H GLY A 45 -1.347 -5.956 15.770 1.00 10.00 H new ATOM 0 HA2 GLY A 45 0.272 -5.362 17.190 1.00 10.00 H new ATOM 0 HA3 GLY A 45 0.949 -6.962 16.960 1.00 10.00 H new ATOM 679 N PHE A 46 1.524 -4.421 14.899 1.00 10.00 N ATOM 680 CA PHE A 46 2.446 -3.780 13.974 1.00 10.00 C ATOM 681 C PHE A 46 2.660 -2.321 14.408 1.00 10.00 C ATOM 682 O PHE A 46 1.832 -1.748 15.116 1.00 10.00 O ATOM 683 CB PHE A 46 1.828 -3.884 12.574 1.00 10.00 C ATOM 684 CG PHE A 46 2.354 -2.895 11.555 1.00 10.00 C ATOM 685 CD1 PHE A 46 3.647 -3.053 11.025 1.00 10.00 C ATOM 686 CD2 PHE A 46 1.609 -1.738 11.255 1.00 10.00 C ATOM 687 CE1 PHE A 46 4.212 -2.032 10.244 1.00 10.00 C ATOM 688 CE2 PHE A 46 2.156 -0.741 10.433 1.00 10.00 C ATOM 689 CZ PHE A 46 3.473 -0.870 9.961 1.00 10.00 C ATOM 0 H PHE A 46 0.598 -3.994 14.888 1.00 10.00 H new ATOM 0 HA PHE A 46 3.424 -4.261 13.968 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.995 -4.893 12.196 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.750 -3.751 12.661 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.204 -3.958 11.218 1.00 10.00 H new ATOM 0 HD2 PHE A 46 0.614 -1.618 11.659 1.00 10.00 H new ATOM 0 HE1 PHE A 46 5.216 -2.140 9.860 1.00 10.00 H new ATOM 0 HE2 PHE A 46 1.566 0.123 10.164 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.918 -0.076 9.380 1.00 10.00 H new ATOM 699 N THR A 47 3.768 -1.716 13.974 1.00 10.00 N ATOM 700 CA THR A 47 4.119 -0.331 14.264 1.00 10.00 C ATOM 701 C THR A 47 3.271 0.614 13.399 1.00 10.00 C ATOM 702 O THR A 47 3.758 1.167 12.414 1.00 10.00 O ATOM 703 CB THR A 47 5.631 -0.159 14.025 1.00 10.00 C ATOM 704 OG1 THR A 47 6.344 -1.129 14.770 1.00 10.00 O ATOM 705 CG2 THR A 47 6.158 1.214 14.452 1.00 10.00 C ATOM 0 H THR A 47 4.461 -2.191 13.396 1.00 10.00 H new ATOM 0 HA THR A 47 3.905 -0.078 15.302 1.00 10.00 H new ATOM 0 HB THR A 47 5.781 -0.271 12.951 1.00 10.00 H new ATOM 0 HG1 THR A 47 7.305 -1.019 14.615 1.00 10.00 H new ATOM 0 HG21 THR A 47 7.229 1.269 14.257 1.00 10.00 H new ATOM 0 HG22 THR A 47 5.645 1.992 13.887 1.00 10.00 H new ATOM 0 HG23 THR A 47 5.975 1.359 15.517 1.00 10.00 H new ATOM 713 N TYR A 48 1.999 0.801 13.764 1.00 10.00 N ATOM 714 CA TYR A 48 1.116 1.751 13.103 1.00 10.00 C ATOM 715 C TYR A 48 1.429 3.169 13.585 1.00 10.00 C ATOM 716 O TYR A 48 2.246 3.361 14.485 1.00 10.00 O ATOM 717 CB TYR A 48 -0.353 1.360 13.330 1.00 10.00 C ATOM 718 CG TYR A 48 -0.816 1.379 14.776 1.00 10.00 C ATOM 719 CD1 TYR A 48 -1.241 2.585 15.368 1.00 10.00 C ATOM 720 CD2 TYR A 48 -0.863 0.185 15.520 1.00 10.00 C ATOM 721 CE1 TYR A 48 -1.671 2.600 16.706 1.00 10.00 C ATOM 722 CE2 TYR A 48 -1.300 0.200 16.856 1.00 10.00 C ATOM 723 CZ TYR A 48 -1.694 1.411 17.451 1.00 10.00 C ATOM 724 OH TYR A 48 -2.138 1.431 18.740 1.00 10.00 O ATOM 0 H TYR A 48 1.557 0.293 14.530 1.00 10.00 H new ATOM 0 HA TYR A 48 1.286 1.728 12.027 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -0.985 2.037 12.755 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.511 0.359 12.929 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.236 3.499 14.793 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -0.562 -0.746 15.063 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -1.984 3.528 17.161 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -1.333 -0.718 17.424 1.00 10.00 H new ATOM 0 HH TYR A 48 -2.092 0.527 19.116 1.00 10.00 H new ATOM 734 N THR A 49 0.767 4.164 12.992 1.00 10.00 N ATOM 735 CA THR A 49 0.876 5.564 13.369 1.00 10.00 C ATOM 736 C THR A 49 -0.509 6.201 13.221 1.00 10.00 C ATOM 737 O THR A 49 -1.422 5.545 12.719 1.00 10.00 O ATOM 738 CB THR A 49 1.886 6.273 12.454 1.00 10.00 C ATOM 739 OG1 THR A 49 1.442 6.199 11.114 1.00 10.00 O ATOM 740 CG2 THR A 49 3.289 5.663 12.521 1.00 10.00 C ATOM 0 H THR A 49 0.124 4.008 12.216 1.00 10.00 H new ATOM 0 HA THR A 49 1.224 5.656 14.398 1.00 10.00 H new ATOM 0 HB THR A 49 1.949 7.304 12.803 1.00 10.00 H new ATOM 0 HG1 THR A 49 2.172 5.877 10.545 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.955 6.208 11.852 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.666 5.729 13.542 1.00 10.00 H new ATOM 0 HG23 THR A 49 3.246 4.617 12.217 1.00 10.00 H new ATOM 748 N ASP A 50 -0.665 7.470 13.619 1.00 10.00 N ATOM 749 CA ASP A 50 -1.934 8.189 13.595 1.00 10.00 C ATOM 750 C ASP A 50 -2.590 8.095 12.228 1.00 10.00 C ATOM 751 O ASP A 50 -3.695 7.588 12.107 1.00 10.00 O ATOM 752 CB ASP A 50 -1.722 9.660 13.972 1.00 10.00 C ATOM 753 CG ASP A 50 -0.928 9.770 15.258 1.00 10.00 C ATOM 754 OD1 ASP A 50 0.293 9.510 15.152 1.00 10.00 O ATOM 755 OD2 ASP A 50 -1.556 10.037 16.302 1.00 10.00 O ATOM 0 H ASP A 50 0.108 8.033 13.974 1.00 10.00 H new ATOM 0 HA ASP A 50 -2.595 7.725 14.327 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -1.196 10.175 13.168 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.687 10.154 14.090 1.00 10.00 H new ATOM 760 N ALA A 51 -1.905 8.588 11.198 1.00 10.00 N ATOM 761 CA ALA A 51 -2.337 8.546 9.806 1.00 10.00 C ATOM 762 C ALA A 51 -2.952 7.186 9.469 1.00 10.00 C ATOM 763 O ALA A 51 -4.090 7.106 9.007 1.00 10.00 O ATOM 764 CB ALA A 51 -1.138 8.866 8.908 1.00 10.00 C ATOM 0 H ALA A 51 -1.000 9.044 11.316 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.113 9.292 9.636 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.448 8.838 7.863 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.759 9.860 9.147 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.353 8.129 9.073 1.00 10.00 H new ATOM 770 N ASN A 52 -2.234 6.111 9.789 1.00 10.00 N ATOM 771 CA ASN A 52 -2.629 4.731 9.526 1.00 10.00 C ATOM 772 C ASN A 52 -3.649 4.235 10.557 1.00 10.00 C ATOM 773 O ASN A 52 -3.579 3.099 11.016 1.00 10.00 O ATOM 774 CB ASN A 52 -1.354 3.884 9.539 1.00 10.00 C ATOM 775 CG ASN A 52 -1.563 2.419 9.153 1.00 10.00 C ATOM 776 OD1 ASN A 52 -1.108 1.522 9.860 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.219 2.153 8.029 1.00 10.00 N ATOM 0 H ASN A 52 -1.329 6.181 10.255 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.122 4.654 8.557 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -0.631 4.328 8.854 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -0.916 3.925 10.536 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -2.355 1.186 7.735 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.587 2.916 7.460 1.00 10.00 H new ATOM 784 N LYS A 53 -4.603 5.087 10.939 1.00 10.00 N ATOM 785 CA LYS A 53 -5.582 4.812 11.984 1.00 10.00 C ATOM 786 C LYS A 53 -6.725 5.812 11.849 1.00 10.00 C ATOM 787 O LYS A 53 -7.874 5.432 11.631 1.00 10.00 O ATOM 788 CB LYS A 53 -4.903 4.868 13.370 1.00 10.00 C ATOM 789 CG LYS A 53 -5.273 3.728 14.330 1.00 10.00 C ATOM 790 CD LYS A 53 -6.530 3.956 15.186 1.00 10.00 C ATOM 791 CE LYS A 53 -7.857 3.761 14.434 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.865 3.065 15.262 1.00 10.00 N ATOM 0 H LYS A 53 -4.716 6.009 10.518 1.00 10.00 H new ATOM 0 HA LYS A 53 -5.994 3.808 11.879 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -3.822 4.864 13.227 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.158 5.816 13.843 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -5.414 2.818 13.747 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -4.429 3.552 14.997 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.505 3.273 16.035 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -6.501 4.968 15.589 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -8.247 4.732 14.128 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -7.677 3.189 13.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -9.744 2.954 14.718 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -8.505 2.128 15.533 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -9.056 3.623 16.118 1.00 10.00 H new ATOM 806 N ASN A 54 -6.376 7.096 11.927 1.00 10.00 N ATOM 807 CA ASN A 54 -7.255 8.236 11.727 1.00 10.00 C ATOM 808 C ASN A 54 -7.955 8.150 10.373 1.00 10.00 C ATOM 809 O ASN A 54 -9.046 8.688 10.222 1.00 10.00 O ATOM 810 CB ASN A 54 -6.454 9.548 11.830 1.00 10.00 C ATOM 811 CG ASN A 54 -7.127 10.555 12.756 1.00 10.00 C ATOM 812 OD1 ASN A 54 -8.109 11.189 12.391 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.600 10.714 13.968 1.00 10.00 N ATOM 0 H ASN A 54 -5.420 7.378 12.143 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.016 8.224 12.507 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.450 9.333 12.196 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.344 9.985 10.837 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.015 11.378 14.621 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -5.781 10.171 14.243 1.00 10.00 H new ATOM 820 N LYS A 55 -7.331 7.490 9.384 1.00 10.00 N ATOM 821 CA LYS A 55 -7.898 7.424 8.045 1.00 10.00 C ATOM 822 C LYS A 55 -9.310 6.837 8.067 1.00 10.00 C ATOM 823 O LYS A 55 -10.226 7.406 7.485 1.00 10.00 O ATOM 824 CB LYS A 55 -6.978 6.609 7.127 1.00 10.00 C ATOM 825 CG LYS A 55 -7.093 7.085 5.678 1.00 10.00 C ATOM 826 CD LYS A 55 -6.041 6.382 4.805 1.00 10.00 C ATOM 827 CE LYS A 55 -6.074 6.935 3.375 1.00 10.00 C ATOM 828 NZ LYS A 55 -5.600 8.326 3.304 1.00 10.00 N ATOM 0 H LYS A 55 -6.442 7.002 9.493 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.975 8.438 7.653 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.946 6.703 7.464 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.239 5.553 7.189 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -8.092 6.875 5.297 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.954 8.165 5.630 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -5.049 6.525 5.234 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -6.230 5.309 4.791 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -5.456 6.309 2.731 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -7.092 6.880 2.990 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -6.325 8.917 2.850 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -5.416 8.680 4.265 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.723 8.366 2.747 1.00 10.00 H new ATOM 842 N GLY A 56 -9.460 5.683 8.720 1.00 10.00 N ATOM 843 CA GLY A 56 -10.719 4.964 8.835 1.00 10.00 C ATOM 844 C GLY A 56 -11.465 4.783 7.506 1.00 10.00 C ATOM 845 O GLY A 56 -12.632 5.154 7.402 1.00 10.00 O ATOM 0 H GLY A 56 -8.687 5.215 9.193 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.525 3.982 9.266 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.366 5.496 9.532 1.00 10.00 H new ATOM 849 N ILE A 57 -10.816 4.174 6.508 1.00 10.00 N ATOM 850 CA ILE A 57 -11.396 3.868 5.199 1.00 10.00 C ATOM 851 C ILE A 57 -11.213 2.383 4.890 1.00 10.00 C ATOM 852 O ILE A 57 -10.813 1.629 5.779 1.00 10.00 O ATOM 853 CB ILE A 57 -10.805 4.796 4.118 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.279 4.715 3.972 1.00 10.00 C ATOM 855 CG2 ILE A 57 -11.205 6.244 4.411 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.791 3.599 3.042 1.00 10.00 C ATOM 0 H ILE A 57 -9.845 3.872 6.593 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.469 4.060 5.210 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.220 4.450 3.171 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.911 5.670 3.598 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.839 4.568 4.958 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.787 6.899 3.647 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.292 6.329 4.407 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.822 6.537 5.389 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.702 3.614 2.996 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -9.125 2.635 3.424 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.198 3.754 2.043 1.00 10.00 H new ATOM 868 N THR A 58 -11.497 1.978 3.645 1.00 10.00 N ATOM 869 CA THR A 58 -11.410 0.604 3.172 1.00 10.00 C ATOM 870 C THR A 58 -10.526 0.536 1.925 1.00 10.00 C ATOM 871 O THR A 58 -10.610 1.406 1.053 1.00 10.00 O ATOM 872 CB THR A 58 -12.819 0.067 2.889 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.700 0.443 3.931 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.828 -1.461 2.782 1.00 10.00 C ATOM 0 H THR A 58 -11.804 2.626 2.920 1.00 10.00 H new ATOM 0 HA THR A 58 -10.954 -0.021 3.940 1.00 10.00 H new ATOM 0 HB THR A 58 -13.143 0.493 1.939 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.597 0.098 3.741 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.842 -1.806 2.581 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.171 -1.773 1.970 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.477 -1.893 3.719 1.00 10.00 H new ATOM 882 N TRP A 59 -9.692 -0.501 1.828 1.00 10.00 N ATOM 883 CA TRP A 59 -8.843 -0.726 0.667 1.00 10.00 C ATOM 884 C TRP A 59 -9.505 -1.701 -0.303 1.00 10.00 C ATOM 885 O TRP A 59 -10.239 -2.600 0.113 1.00 10.00 O ATOM 886 CB TRP A 59 -7.475 -1.223 1.109 1.00 10.00 C ATOM 887 CG TRP A 59 -6.787 -0.313 2.066 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.659 -0.535 3.391 1.00 10.00 C ATOM 889 CD2 TRP A 59 -6.213 1.003 1.813 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.975 0.521 3.957 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.766 1.539 3.051 1.00 10.00 C ATOM 892 CE3 TRP A 59 -6.063 1.820 0.672 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -5.249 2.836 3.154 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -5.473 3.092 0.755 1.00 10.00 C ATOM 895 CH2 TRP A 59 -5.041 3.589 1.992 1.00 10.00 C ATOM 0 H TRP A 59 -9.589 -1.207 2.557 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.706 0.218 0.140 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.587 -2.204 1.571 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.845 -1.355 0.230 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.031 -1.399 3.922 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.662 0.546 4.927 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.409 1.459 -0.285 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -5.013 3.252 4.122 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -5.352 3.689 -0.137 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -4.550 4.549 2.049 1.00 10.00 H new ATOM 906 N LYS A 60 -9.252 -1.490 -1.598 1.00 10.00 N ATOM 907 CA LYS A 60 -9.906 -2.183 -2.702 1.00 10.00 C ATOM 908 C LYS A 60 -9.155 -1.918 -4.010 1.00 10.00 C ATOM 909 O LYS A 60 -8.680 -2.853 -4.640 1.00 10.00 O ATOM 910 CB LYS A 60 -11.395 -1.800 -2.771 1.00 10.00 C ATOM 911 CG LYS A 60 -11.669 -0.285 -2.733 1.00 10.00 C ATOM 912 CD LYS A 60 -13.144 0.010 -2.429 1.00 10.00 C ATOM 913 CE LYS A 60 -13.252 1.312 -1.622 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.654 1.677 -1.337 1.00 10.00 N ATOM 0 H LYS A 60 -8.562 -0.808 -1.913 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.872 -3.259 -2.532 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.820 -2.210 -3.687 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.917 -2.271 -1.938 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.039 0.181 -1.975 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.397 0.160 -3.690 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.707 0.098 -3.358 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.582 -0.815 -1.868 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -12.709 1.202 -0.683 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -12.773 2.121 -2.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -14.678 2.562 -0.791 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.167 1.808 -2.232 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.105 0.918 -0.787 1.00 10.00 H new ATOM 928 N GLU A 61 -8.999 -0.636 -4.361 1.00 10.00 N ATOM 929 CA GLU A 61 -8.244 -0.144 -5.511 1.00 10.00 C ATOM 930 C GLU A 61 -8.485 1.358 -5.679 1.00 10.00 C ATOM 931 O GLU A 61 -7.544 2.107 -5.900 1.00 10.00 O ATOM 932 CB GLU A 61 -8.555 -0.908 -6.812 1.00 10.00 C ATOM 933 CG GLU A 61 -10.064 -1.037 -7.105 1.00 10.00 C ATOM 934 CD GLU A 61 -10.524 -2.484 -7.274 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.079 -3.125 -8.252 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.341 -2.917 -6.433 1.00 10.00 O ATOM 0 H GLU A 61 -9.418 0.121 -3.821 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.188 -0.323 -5.309 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -8.073 -0.399 -7.647 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.118 -1.905 -6.752 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.626 -0.577 -6.292 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.300 -0.479 -8.011 1.00 10.00 H new ATOM 943 N GLU A 62 -9.730 1.815 -5.545 1.00 10.00 N ATOM 944 CA GLU A 62 -10.081 3.214 -5.757 1.00 10.00 C ATOM 945 C GLU A 62 -9.362 4.125 -4.750 1.00 10.00 C ATOM 946 O GLU A 62 -8.738 5.116 -5.119 1.00 10.00 O ATOM 947 CB GLU A 62 -11.610 3.352 -5.702 1.00 10.00 C ATOM 948 CG GLU A 62 -12.114 4.591 -6.455 1.00 10.00 C ATOM 949 CD GLU A 62 -12.941 5.477 -5.536 1.00 10.00 C ATOM 950 OE1 GLU A 62 -12.326 6.040 -4.607 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.173 5.515 -5.736 1.00 10.00 O ATOM 0 H GLU A 62 -10.521 1.225 -5.287 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.744 3.540 -6.741 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -12.068 2.460 -6.129 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.930 3.408 -4.661 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.267 5.154 -6.847 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.715 4.284 -7.310 1.00 10.00 H new ATOM 958 N THR A 63 -9.390 3.757 -3.467 1.00 10.00 N ATOM 959 CA THR A 63 -8.730 4.515 -2.419 1.00 10.00 C ATOM 960 C THR A 63 -7.216 4.545 -2.659 1.00 10.00 C ATOM 961 O THR A 63 -6.593 5.611 -2.714 1.00 10.00 O ATOM 962 CB THR A 63 -9.118 3.895 -1.065 1.00 10.00 C ATOM 963 OG1 THR A 63 -9.117 2.477 -1.144 1.00 10.00 O ATOM 964 CG2 THR A 63 -10.538 4.329 -0.691 1.00 10.00 C ATOM 0 H THR A 63 -9.873 2.923 -3.132 1.00 10.00 H new ATOM 0 HA THR A 63 -9.053 5.556 -2.421 1.00 10.00 H new ATOM 0 HB THR A 63 -8.394 4.230 -0.323 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.626 2.107 -0.393 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.812 3.889 0.268 1.00 10.00 H new ATOM 0 HG22 THR A 63 -10.579 5.416 -0.617 1.00 10.00 H new ATOM 0 HG23 THR A 63 -11.235 3.991 -1.457 1.00 10.00 H new ATOM 972 N LEU A 64 -6.617 3.362 -2.826 1.00 10.00 N ATOM 973 CA LEU A 64 -5.197 3.271 -3.111 1.00 10.00 C ATOM 974 C LEU A 64 -4.818 4.008 -4.400 1.00 10.00 C ATOM 975 O LEU A 64 -3.761 4.625 -4.427 1.00 10.00 O ATOM 976 CB LEU A 64 -4.619 1.849 -3.006 1.00 10.00 C ATOM 977 CG LEU A 64 -5.400 0.697 -3.607 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.446 -0.279 -4.299 1.00 10.00 C ATOM 979 CD2 LEU A 64 -6.279 0.001 -2.564 1.00 10.00 C ATOM 0 H LEU A 64 -7.097 2.464 -2.768 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.698 3.805 -2.302 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.634 1.858 -3.472 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.470 1.631 -1.949 1.00 10.00 H new ATOM 0 HG LEU A 64 -6.079 1.097 -4.360 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -5.016 -1.103 -4.728 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.907 0.240 -5.091 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.735 -0.670 -3.572 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.822 -0.819 -3.034 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -5.652 -0.392 -1.763 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.989 0.717 -2.151 1.00 10.00 H new ATOM 991 N MET A 65 -5.644 4.015 -5.451 1.00 10.00 N ATOM 992 CA MET A 65 -5.329 4.765 -6.659 1.00 10.00 C ATOM 993 C MET A 65 -4.879 6.190 -6.345 1.00 10.00 C ATOM 994 O MET A 65 -3.882 6.631 -6.910 1.00 10.00 O ATOM 995 CB MET A 65 -6.499 4.797 -7.654 1.00 10.00 C ATOM 996 CG MET A 65 -6.473 3.641 -8.652 1.00 10.00 C ATOM 997 SD MET A 65 -7.330 4.032 -10.197 1.00 10.00 S ATOM 998 CE MET A 65 -6.659 2.733 -11.252 1.00 10.00 C ATOM 0 H MET A 65 -6.530 3.511 -5.485 1.00 10.00 H new ATOM 0 HA MET A 65 -4.501 4.233 -7.128 1.00 10.00 H new ATOM 0 HB2 MET A 65 -7.438 4.770 -7.101 1.00 10.00 H new ATOM 0 HB3 MET A 65 -6.477 5.740 -8.200 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.438 3.379 -8.872 1.00 10.00 H new ATOM 0 HG3 MET A 65 -6.934 2.764 -8.198 1.00 10.00 H new ATOM 0 HE1 MET A 65 -7.082 2.822 -12.253 1.00 10.00 H new ATOM 0 HE2 MET A 65 -5.575 2.832 -11.306 1.00 10.00 H new ATOM 0 HE3 MET A 65 -6.914 1.758 -10.836 1.00 10.00 H new ATOM 1008 N GLU A 66 -5.567 6.907 -5.452 1.00 10.00 N ATOM 1009 CA GLU A 66 -5.109 8.243 -5.108 1.00 10.00 C ATOM 1010 C GLU A 66 -3.949 8.134 -4.130 1.00 10.00 C ATOM 1011 O GLU A 66 -2.916 8.751 -4.354 1.00 10.00 O ATOM 1012 CB GLU A 66 -6.221 9.108 -4.519 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.947 9.981 -5.547 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.671 11.104 -4.816 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.402 10.768 -3.857 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -7.410 12.274 -5.169 1.00 10.00 O ATOM 0 H GLU A 66 -6.412 6.595 -4.973 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.784 8.734 -6.025 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.949 8.461 -4.029 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.796 9.751 -3.748 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.235 10.394 -6.261 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.658 9.382 -6.116 1.00 10.00 H new ATOM 1023 N TYR A 67 -4.111 7.373 -3.042 1.00 10.00 N ATOM 1024 CA TYR A 67 -3.103 7.300 -1.985 1.00 10.00 C ATOM 1025 C TYR A 67 -1.708 7.062 -2.564 1.00 10.00 C ATOM 1026 O TYR A 67 -0.736 7.713 -2.192 1.00 10.00 O ATOM 1027 CB TYR A 67 -3.478 6.188 -0.997 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.776 6.244 0.357 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.934 7.374 1.178 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -2.021 5.151 0.835 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -2.413 7.382 2.484 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -1.496 5.165 2.145 1.00 10.00 C ATOM 1033 CZ TYR A 67 -1.740 6.258 2.995 1.00 10.00 C ATOM 1034 OH TYR A 67 -1.339 6.277 4.303 1.00 10.00 O ATOM 0 H TYR A 67 -4.936 6.797 -2.872 1.00 10.00 H new ATOM 0 HA TYR A 67 -3.078 8.255 -1.459 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -4.554 6.223 -0.830 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -3.259 5.226 -1.460 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -3.458 8.241 0.804 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.844 4.299 0.195 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -2.531 8.260 3.101 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -0.904 4.333 2.496 1.00 10.00 H new ATOM 0 HH TYR A 67 -0.975 5.400 4.546 1.00 10.00 H new ATOM 1044 N LEU A 68 -1.620 6.122 -3.501 1.00 10.00 N ATOM 1045 CA LEU A 68 -0.389 5.781 -4.169 1.00 10.00 C ATOM 1046 C LEU A 68 0.016 6.866 -5.173 1.00 10.00 C ATOM 1047 O LEU A 68 1.189 7.231 -5.202 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.516 4.410 -4.836 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.958 3.233 -3.952 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.842 1.930 -4.750 1.00 10.00 C ATOM 1051 CD2 LEU A 68 -0.162 3.148 -2.647 1.00 10.00 C ATOM 0 H LEU A 68 -2.420 5.573 -3.815 1.00 10.00 H new ATOM 0 HA LEU A 68 0.407 5.724 -3.426 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -1.226 4.500 -5.658 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.449 4.158 -5.275 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.997 3.398 -3.666 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -1.155 1.092 -4.126 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.481 1.985 -5.631 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.193 1.785 -5.061 1.00 10.00 H new ATOM 0 HD21 LEU A 68 -0.514 2.300 -2.060 1.00 10.00 H new ATOM 0 HD22 LEU A 68 0.896 3.018 -2.874 1.00 10.00 H new ATOM 0 HD23 LEU A 68 -0.300 4.066 -2.076 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.912 7.384 -5.995 1.00 10.00 N ATOM 1064 CA GLU A 69 -0.620 8.444 -6.968 1.00 10.00 C ATOM 1065 C GLU A 69 -0.839 9.849 -6.388 1.00 10.00 C ATOM 1066 O GLU A 69 -1.246 10.774 -7.087 1.00 10.00 O ATOM 1067 CB GLU A 69 -1.375 8.198 -8.302 1.00 10.00 C ATOM 1068 CG GLU A 69 -0.512 7.824 -9.520 1.00 10.00 C ATOM 1069 CD GLU A 69 0.831 8.534 -9.569 1.00 10.00 C ATOM 1070 OE1 GLU A 69 0.844 9.676 -10.075 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.794 7.889 -9.066 1.00 10.00 O ATOM 0 H GLU A 69 -1.885 7.078 -6.002 1.00 10.00 H new ATOM 0 HA GLU A 69 0.444 8.400 -7.201 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -2.102 7.402 -8.141 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.938 9.099 -8.546 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -0.342 6.747 -9.515 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -1.067 8.055 -10.430 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.528 10.018 -5.102 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.687 11.248 -4.335 1.00 10.00 C ATOM 1080 C ASN A 70 -0.446 10.895 -2.861 1.00 10.00 C ATOM 1081 O ASN A 70 -1.340 11.044 -2.028 1.00 10.00 O ATOM 1082 CB ASN A 70 -2.080 11.883 -4.579 1.00 10.00 C ATOM 1083 CG ASN A 70 -2.059 13.090 -5.518 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -1.164 13.930 -5.465 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -3.083 13.232 -6.357 1.00 10.00 N ATOM 0 H ASN A 70 -0.139 9.260 -4.541 1.00 10.00 H new ATOM 0 HA ASN A 70 0.033 12.003 -4.650 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.745 11.125 -4.993 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.501 12.188 -3.621 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -3.132 14.047 -6.968 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.818 12.525 -6.389 1.00 10.00 H new ATOM 1092 N PRO A 71 0.767 10.429 -2.506 1.00 10.00 N ATOM 1093 CA PRO A 71 1.077 10.100 -1.126 1.00 10.00 C ATOM 1094 C PRO A 71 0.968 11.361 -0.279 1.00 10.00 C ATOM 1095 O PRO A 71 0.241 11.391 0.715 1.00 10.00 O ATOM 1096 CB PRO A 71 2.490 9.505 -1.137 1.00 10.00 C ATOM 1097 CG PRO A 71 3.125 10.039 -2.422 1.00 10.00 C ATOM 1098 CD PRO A 71 1.933 10.235 -3.361 1.00 10.00 C ATOM 0 HA PRO A 71 0.387 9.377 -0.691 1.00 10.00 H new ATOM 0 HB2 PRO A 71 3.056 9.813 -0.258 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.461 8.415 -1.132 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.656 10.975 -2.248 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.848 9.335 -2.834 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.087 11.097 -4.010 1.00 10.00 H new ATOM 0 HD3 PRO A 71 1.801 9.368 -4.008 1.00 10.00 H new ATOM 1106 N LYS A 72 1.657 12.425 -0.704 1.00 10.00 N ATOM 1107 CA LYS A 72 1.751 13.654 0.058 1.00 10.00 C ATOM 1108 C LYS A 72 0.508 14.538 -0.126 1.00 10.00 C ATOM 1109 O LYS A 72 0.620 15.726 -0.425 1.00 10.00 O ATOM 1110 CB LYS A 72 3.060 14.406 -0.256 1.00 10.00 C ATOM 1111 CG LYS A 72 3.255 14.940 -1.694 1.00 10.00 C ATOM 1112 CD LYS A 72 3.855 13.911 -2.666 1.00 10.00 C ATOM 1113 CE LYS A 72 4.677 14.570 -3.788 1.00 10.00 C ATOM 1114 NZ LYS A 72 3.860 15.405 -4.695 1.00 10.00 N ATOM 0 H LYS A 72 2.163 12.449 -1.589 1.00 10.00 H new ATOM 0 HA LYS A 72 1.782 13.387 1.114 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.134 15.251 0.428 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.892 13.739 -0.030 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.292 15.272 -2.081 1.00 10.00 H new ATOM 0 HG3 LYS A 72 3.904 15.815 -1.661 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.491 13.220 -2.112 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.052 13.321 -3.107 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.459 15.186 -3.343 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.175 13.794 -4.369 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 4.470 15.821 -5.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 3.130 14.817 -5.145 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 3.405 16.166 -4.151 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.678 13.949 0.009 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.954 14.616 -0.215 1.00 10.00 C ATOM 1130 C LYS A 73 -2.891 14.272 0.938 1.00 10.00 C ATOM 1131 O LYS A 73 -3.356 15.155 1.651 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.512 14.170 -1.574 1.00 10.00 C ATOM 1133 CG LYS A 73 -3.684 15.026 -2.088 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.302 15.882 -3.311 1.00 10.00 C ATOM 1135 CE LYS A 73 -4.462 15.935 -4.318 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.074 16.608 -5.575 1.00 10.00 N ATOM 0 H LYS A 73 -0.778 12.972 0.284 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.840 15.700 -0.242 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.708 14.195 -2.310 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.841 13.134 -1.497 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -4.517 14.374 -2.352 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -4.031 15.678 -1.287 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.046 16.892 -2.989 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -2.416 15.466 -3.790 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -4.798 14.922 -4.538 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -5.306 16.460 -3.871 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.885 16.622 -6.226 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -3.778 17.584 -5.369 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -3.285 16.093 -6.016 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.162 12.978 1.121 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.033 12.515 2.187 1.00 10.00 C ATOM 1152 C TYR A 74 -3.360 12.647 3.554 1.00 10.00 C ATOM 1153 O TYR A 74 -3.990 13.101 4.505 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.441 11.061 1.939 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.647 10.884 1.036 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -6.918 11.282 1.495 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -5.529 10.244 -0.211 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -8.055 11.079 0.696 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -6.678 10.003 -0.985 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.929 10.486 -0.570 1.00 10.00 C ATOM 1161 OH TYR A 74 -9.032 10.326 -1.351 1.00 10.00 O ATOM 0 H TYR A 74 -2.784 12.232 0.536 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.924 13.143 2.190 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.596 10.531 1.501 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.651 10.588 2.899 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -7.018 11.745 2.465 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -4.558 9.938 -0.573 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -9.028 11.380 1.056 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -6.597 9.443 -1.905 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.763 10.286 -2.293 1.00 10.00 H new ATOM 1171 N ILE A 75 -2.113 12.182 3.670 1.00 10.00 N ATOM 1172 CA ILE A 75 -1.369 12.188 4.927 1.00 10.00 C ATOM 1173 C ILE A 75 -0.315 13.302 4.874 1.00 10.00 C ATOM 1174 O ILE A 75 0.331 13.479 3.842 1.00 10.00 O ATOM 1175 CB ILE A 75 -0.736 10.812 5.219 1.00 10.00 C ATOM 1176 CG1 ILE A 75 0.004 10.310 3.948 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -1.847 9.818 5.587 1.00 10.00 C ATOM 1178 CD1 ILE A 75 0.888 9.072 4.082 1.00 10.00 C ATOM 0 H ILE A 75 -1.590 11.789 2.887 1.00 10.00 H new ATOM 0 HA ILE A 75 -2.055 12.387 5.751 1.00 10.00 H new ATOM 0 HB ILE A 75 -0.029 10.896 6.044 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.745 10.106 3.183 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.624 11.126 3.577 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -1.408 8.842 5.795 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.376 10.174 6.471 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -2.547 9.731 4.756 1.00 10.00 H new ATOM 0 HD11 ILE A 75 1.338 8.840 3.117 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.674 9.263 4.813 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.283 8.227 4.412 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.123 14.061 5.964 1.00 10.00 N ATOM 1191 CA PRO A 76 0.841 15.152 6.009 1.00 10.00 C ATOM 1192 C PRO A 76 2.255 14.712 6.415 1.00 10.00 C ATOM 1193 O PRO A 76 3.115 15.559 6.637 1.00 10.00 O ATOM 1194 CB PRO A 76 0.253 16.133 7.026 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.466 15.219 8.018 1.00 10.00 C ATOM 1196 CD PRO A 76 -0.989 14.089 7.134 1.00 10.00 C ATOM 0 HA PRO A 76 0.979 15.587 5.019 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.030 16.723 7.512 1.00 10.00 H new ATOM 0 HB3 PRO A 76 -0.434 16.837 6.556 1.00 10.00 H new ATOM 0 HG2 PRO A 76 0.211 14.848 8.788 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -1.276 15.738 8.530 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -0.962 13.136 7.662 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -2.026 14.266 6.848 1.00 10.00 H new ATOM 1204 N GLY A 77 2.515 13.408 6.526 1.00 10.00 N ATOM 1205 CA GLY A 77 3.825 12.893 6.905 1.00 10.00 C ATOM 1206 C GLY A 77 3.834 11.377 6.748 1.00 10.00 C ATOM 1207 O GLY A 77 3.751 10.866 5.632 1.00 10.00 O ATOM 0 H GLY A 77 1.820 12.681 6.355 1.00 10.00 H new ATOM 0 HA2 GLY A 77 4.599 13.340 6.281 1.00 10.00 H new ATOM 0 HA3 GLY A 77 4.051 13.165 7.936 1.00 10.00 H new ATOM 1211 N THR A 78 3.945 10.654 7.867 1.00 10.00 N ATOM 1212 CA THR A 78 3.832 9.196 7.949 1.00 10.00 C ATOM 1213 C THR A 78 5.033 8.442 7.370 1.00 10.00 C ATOM 1214 O THR A 78 5.454 7.453 7.968 1.00 10.00 O ATOM 1215 CB THR A 78 2.513 8.709 7.326 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.495 9.668 7.519 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.031 7.376 7.901 1.00 10.00 C ATOM 0 H THR A 78 4.123 11.085 8.774 1.00 10.00 H new ATOM 0 HA THR A 78 3.827 8.959 9.013 1.00 10.00 H new ATOM 0 HB THR A 78 2.719 8.565 6.265 1.00 10.00 H new ATOM 0 HG1 THR A 78 1.359 9.812 8.479 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.096 7.089 7.419 1.00 10.00 H new ATOM 0 HG22 THR A 78 2.783 6.608 7.720 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.869 7.480 8.974 1.00 10.00 H new ATOM 1225 N LYS A 79 5.525 8.845 6.195 1.00 10.00 N ATOM 1226 CA LYS A 79 6.730 8.378 5.512 1.00 10.00 C ATOM 1227 C LYS A 79 6.838 9.009 4.118 1.00 10.00 C ATOM 1228 O LYS A 79 7.951 9.240 3.665 1.00 10.00 O ATOM 1229 CB LYS A 79 6.895 6.845 5.442 1.00 10.00 C ATOM 1230 CG LYS A 79 6.018 6.092 4.424 1.00 10.00 C ATOM 1231 CD LYS A 79 4.508 6.160 4.680 1.00 10.00 C ATOM 1232 CE LYS A 79 3.981 5.153 5.703 1.00 10.00 C ATOM 1233 NZ LYS A 79 4.768 5.055 6.946 1.00 10.00 N ATOM 0 H LYS A 79 5.049 9.567 5.654 1.00 10.00 H new ATOM 0 HA LYS A 79 7.559 8.714 6.135 1.00 10.00 H new ATOM 0 HB2 LYS A 79 7.939 6.627 5.216 1.00 10.00 H new ATOM 0 HB3 LYS A 79 6.691 6.437 6.432 1.00 10.00 H new ATOM 0 HG2 LYS A 79 6.219 6.492 3.430 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.321 5.045 4.413 1.00 10.00 H new ATOM 0 HD2 LYS A 79 4.257 7.165 5.019 1.00 10.00 H new ATOM 0 HD3 LYS A 79 3.987 6.003 3.736 1.00 10.00 H new ATOM 0 HE2 LYS A 79 2.956 5.422 5.960 1.00 10.00 H new ATOM 0 HE3 LYS A 79 3.945 4.169 5.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.317 4.375 7.590 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 5.731 4.733 6.722 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 4.812 5.988 7.404 1.00 10.00 H new ATOM 1247 N MET A 80 5.690 9.263 3.461 1.00 10.00 N ATOM 1248 CA MET A 80 5.547 9.927 2.161 1.00 10.00 C ATOM 1249 C MET A 80 6.709 9.652 1.197 1.00 10.00 C ATOM 1250 O MET A 80 7.650 10.439 1.124 1.00 10.00 O ATOM 1251 CB MET A 80 5.286 11.431 2.347 1.00 10.00 C ATOM 1252 CG MET A 80 6.175 12.082 3.417 1.00 10.00 C ATOM 1253 SD MET A 80 6.145 13.890 3.441 1.00 10.00 S ATOM 1254 CE MET A 80 7.625 14.222 2.459 1.00 10.00 C ATOM 0 H MET A 80 4.787 8.992 3.851 1.00 10.00 H new ATOM 0 HA MET A 80 4.675 9.486 1.678 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.445 11.939 1.396 1.00 10.00 H new ATOM 0 HB3 MET A 80 4.240 11.579 2.616 1.00 10.00 H new ATOM 0 HG2 MET A 80 5.866 11.716 4.396 1.00 10.00 H new ATOM 0 HG3 MET A 80 7.203 11.753 3.263 1.00 10.00 H new ATOM 0 HE1 MET A 80 7.767 15.299 2.367 1.00 10.00 H new ATOM 0 HE2 MET A 80 8.493 13.782 2.950 1.00 10.00 H new ATOM 0 HE3 MET A 80 7.509 13.786 1.467 1.00 10.00 H new ATOM 1264 N ILE A 81 6.642 8.525 0.475 1.00 10.00 N ATOM 1265 CA ILE A 81 7.800 8.018 -0.249 1.00 10.00 C ATOM 1266 C ILE A 81 8.127 8.804 -1.531 1.00 10.00 C ATOM 1267 O ILE A 81 7.732 9.959 -1.680 1.00 10.00 O ATOM 1268 CB ILE A 81 7.722 6.483 -0.445 1.00 10.00 C ATOM 1269 CG1 ILE A 81 6.686 6.055 -1.504 1.00 10.00 C ATOM 1270 CG2 ILE A 81 7.453 5.764 0.885 1.00 10.00 C ATOM 1271 CD1 ILE A 81 6.822 4.571 -1.856 1.00 10.00 C ATOM 0 H ILE A 81 5.801 7.955 0.381 1.00 10.00 H new ATOM 0 HA ILE A 81 8.668 8.199 0.385 1.00 10.00 H new ATOM 0 HB ILE A 81 8.700 6.182 -0.820 1.00 10.00 H new ATOM 0 HG12 ILE A 81 5.681 6.251 -1.131 1.00 10.00 H new ATOM 0 HG13 ILE A 81 6.814 6.657 -2.404 1.00 10.00 H new ATOM 0 HG21 ILE A 81 7.404 4.689 0.714 1.00 10.00 H new ATOM 0 HG22 ILE A 81 8.258 5.983 1.586 1.00 10.00 H new ATOM 0 HG23 ILE A 81 6.506 6.109 1.300 1.00 10.00 H new ATOM 0 HD11 ILE A 81 6.076 4.305 -2.605 1.00 10.00 H new ATOM 0 HD12 ILE A 81 7.819 4.381 -2.253 1.00 10.00 H new ATOM 0 HD13 ILE A 81 6.668 3.969 -0.960 1.00 10.00 H new ATOM 1283 N PHE A 82 8.869 8.180 -2.458 1.00 10.00 N ATOM 1284 CA PHE A 82 9.196 8.755 -3.755 1.00 10.00 C ATOM 1285 C PHE A 82 7.946 9.318 -4.444 1.00 10.00 C ATOM 1286 O PHE A 82 6.830 8.872 -4.179 1.00 10.00 O ATOM 1287 CB PHE A 82 9.915 7.711 -4.631 1.00 10.00 C ATOM 1288 CG PHE A 82 9.154 6.416 -4.882 1.00 10.00 C ATOM 1289 CD1 PHE A 82 8.014 6.413 -5.709 1.00 10.00 C ATOM 1290 CD2 PHE A 82 9.624 5.196 -4.357 1.00 10.00 C ATOM 1291 CE1 PHE A 82 7.283 5.231 -5.912 1.00 10.00 C ATOM 1292 CE2 PHE A 82 8.930 4.000 -4.616 1.00 10.00 C ATOM 1293 CZ PHE A 82 7.738 4.023 -5.360 1.00 10.00 C ATOM 0 H PHE A 82 9.261 7.249 -2.318 1.00 10.00 H new ATOM 0 HA PHE A 82 9.876 9.593 -3.604 1.00 10.00 H new ATOM 0 HB2 PHE A 82 10.143 8.168 -5.594 1.00 10.00 H new ATOM 0 HB3 PHE A 82 10.867 7.465 -4.161 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.699 7.327 -6.191 1.00 10.00 H new ATOM 0 HD2 PHE A 82 10.520 5.179 -3.754 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.372 5.251 -6.492 1.00 10.00 H new ATOM 0 HE2 PHE A 82 9.314 3.062 -4.242 1.00 10.00 H new ATOM 0 HZ PHE A 82 7.174 3.114 -5.507 1.00 10.00 H new ATOM 1303 N ALA A 83 8.160 10.285 -5.344 1.00 10.00 N ATOM 1304 CA ALA A 83 7.132 11.071 -6.017 1.00 10.00 C ATOM 1305 C ALA A 83 5.871 10.267 -6.345 1.00 10.00 C ATOM 1306 O ALA A 83 4.788 10.589 -5.857 1.00 10.00 O ATOM 1307 CB ALA A 83 7.729 11.689 -7.285 1.00 10.00 C ATOM 0 H ALA A 83 9.102 10.549 -5.633 1.00 10.00 H new ATOM 0 HA ALA A 83 6.811 11.853 -5.329 1.00 10.00 H new ATOM 0 HB1 ALA A 83 6.968 12.279 -7.795 1.00 10.00 H new ATOM 0 HB2 ALA A 83 8.567 12.332 -7.016 1.00 10.00 H new ATOM 0 HB3 ALA A 83 8.078 10.896 -7.947 1.00 10.00 H new ATOM 1313 N GLY A 84 6.019 9.238 -7.181 1.00 10.00 N ATOM 1314 CA GLY A 84 4.940 8.352 -7.566 1.00 10.00 C ATOM 1315 C GLY A 84 5.483 7.306 -8.535 1.00 10.00 C ATOM 1316 O GLY A 84 6.696 7.214 -8.727 1.00 10.00 O ATOM 0 H GLY A 84 6.912 9.000 -7.613 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.518 7.867 -6.686 1.00 10.00 H new ATOM 0 HA3 GLY A 84 4.136 8.919 -8.035 1.00 10.00 H new ATOM 1320 N ILE A 85 4.593 6.505 -9.120 1.00 10.00 N ATOM 1321 CA ILE A 85 4.927 5.549 -10.162 1.00 10.00 C ATOM 1322 C ILE A 85 5.105 6.286 -11.497 1.00 10.00 C ATOM 1323 O ILE A 85 4.759 7.456 -11.624 1.00 10.00 O ATOM 1324 CB ILE A 85 3.867 4.429 -10.158 1.00 10.00 C ATOM 1325 CG1 ILE A 85 4.375 3.297 -9.264 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.474 3.933 -11.545 1.00 10.00 C ATOM 1327 CD1 ILE A 85 3.819 1.934 -9.589 1.00 10.00 C ATOM 0 H ILE A 85 3.603 6.506 -8.875 1.00 10.00 H new ATOM 0 HA ILE A 85 5.883 5.058 -9.983 1.00 10.00 H new ATOM 0 HB ILE A 85 2.940 4.842 -9.759 1.00 10.00 H new ATOM 0 HG12 ILE A 85 5.462 3.257 -9.336 1.00 10.00 H new ATOM 0 HG13 ILE A 85 4.133 3.535 -8.228 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.725 3.147 -11.451 1.00 10.00 H new ATOM 0 HG22 ILE A 85 3.062 4.760 -12.124 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.354 3.537 -12.053 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.237 1.197 -8.903 1.00 10.00 H new ATOM 0 HD12 ILE A 85 2.734 1.950 -9.488 1.00 10.00 H new ATOM 0 HD13 ILE A 85 4.084 1.668 -10.612 1.00 10.00 H new ATOM 1339 N LYS A 86 5.659 5.584 -12.493 1.00 10.00 N ATOM 1340 CA LYS A 86 5.899 6.091 -13.838 1.00 10.00 C ATOM 1341 C LYS A 86 4.682 6.827 -14.401 1.00 10.00 C ATOM 1342 O LYS A 86 4.811 7.951 -14.879 1.00 10.00 O ATOM 1343 CB LYS A 86 6.297 4.941 -14.777 1.00 10.00 C ATOM 1344 CG LYS A 86 7.337 4.003 -14.144 1.00 10.00 C ATOM 1345 CD LYS A 86 8.269 3.376 -15.189 1.00 10.00 C ATOM 1346 CE LYS A 86 9.461 4.314 -15.449 1.00 10.00 C ATOM 1347 NZ LYS A 86 10.370 3.812 -16.502 1.00 10.00 N ATOM 0 H LYS A 86 5.960 4.617 -12.375 1.00 10.00 H new ATOM 0 HA LYS A 86 6.717 6.808 -13.773 1.00 10.00 H new ATOM 0 HB2 LYS A 86 5.409 4.368 -15.043 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.699 5.353 -15.703 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.931 4.559 -13.418 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.824 3.212 -13.597 1.00 10.00 H new ATOM 0 HD2 LYS A 86 8.626 2.408 -14.838 1.00 10.00 H new ATOM 0 HD3 LYS A 86 7.724 3.198 -16.116 1.00 10.00 H new ATOM 0 HE2 LYS A 86 9.087 5.297 -15.737 1.00 10.00 H new ATOM 0 HE3 LYS A 86 10.022 4.445 -14.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 11.153 4.484 -16.634 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 10.751 2.887 -16.219 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.846 3.712 -17.395 1.00 10.00 H new ATOM 1361 N LYS A 87 3.521 6.164 -14.396 1.00 10.00 N ATOM 1362 CA LYS A 87 2.238 6.729 -14.761 1.00 10.00 C ATOM 1363 C LYS A 87 1.127 5.771 -14.323 1.00 10.00 C ATOM 1364 O LYS A 87 1.388 4.686 -13.797 1.00 10.00 O ATOM 1365 CB LYS A 87 2.186 7.002 -16.270 1.00 10.00 C ATOM 1366 CG LYS A 87 2.154 5.708 -17.096 1.00 10.00 C ATOM 1367 CD LYS A 87 3.024 5.775 -18.354 1.00 10.00 C ATOM 1368 CE LYS A 87 4.516 5.790 -17.988 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.371 5.491 -19.152 1.00 10.00 N ATOM 0 H LYS A 87 3.457 5.182 -14.126 1.00 10.00 H new ATOM 0 HA LYS A 87 2.094 7.683 -14.254 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.303 7.598 -16.499 1.00 10.00 H new ATOM 0 HB3 LYS A 87 3.054 7.594 -16.560 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.490 4.879 -16.473 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.125 5.494 -17.385 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.811 4.919 -18.994 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.776 6.670 -18.925 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.781 6.767 -17.584 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.704 5.059 -17.202 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.370 5.511 -18.863 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.136 4.548 -19.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.211 6.203 -19.893 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.116 6.155 -14.601 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.299 5.449 -14.148 1.00 10.00 C ATOM 1385 C LYS A 88 -1.303 4.009 -14.661 1.00 10.00 C ATOM 1386 O LYS A 88 -1.689 3.107 -13.930 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.557 6.242 -14.532 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.803 5.694 -13.817 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.920 6.752 -13.722 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.678 6.668 -12.386 1.00 10.00 C ATOM 1391 NZ LYS A 88 -4.865 7.119 -11.232 1.00 10.00 N ATOM 0 H LYS A 88 -0.327 6.982 -15.159 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.292 5.375 -13.061 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -2.420 7.292 -14.275 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.704 6.195 -15.611 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -4.175 4.820 -14.352 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.531 5.362 -12.815 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.488 7.747 -13.832 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -5.620 6.615 -14.546 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -6.581 7.276 -12.448 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -5.997 5.639 -12.219 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -5.478 7.235 -10.400 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -4.132 6.411 -11.026 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -4.414 8.028 -11.459 1.00 10.00 H new ATOM 1405 N THR A 89 -0.834 3.791 -15.890 1.00 10.00 N ATOM 1406 CA THR A 89 -0.700 2.486 -16.515 1.00 10.00 C ATOM 1407 C THR A 89 -0.025 1.488 -15.570 1.00 10.00 C ATOM 1408 O THR A 89 -0.633 0.518 -15.123 1.00 10.00 O ATOM 1409 CB THR A 89 0.099 2.695 -17.813 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.417 3.851 -18.453 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.000 1.478 -18.735 1.00 10.00 C ATOM 0 H THR A 89 -0.527 4.552 -16.496 1.00 10.00 H new ATOM 0 HA THR A 89 -1.675 2.057 -16.744 1.00 10.00 H new ATOM 0 HB THR A 89 1.156 2.825 -17.579 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.075 4.011 -19.285 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.576 1.661 -19.642 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.397 0.601 -18.224 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.044 1.304 -18.997 1.00 10.00 H new ATOM 1419 N GLU A 90 1.226 1.788 -15.221 1.00 10.00 N ATOM 1420 CA GLU A 90 2.028 1.012 -14.296 1.00 10.00 C ATOM 1421 C GLU A 90 1.312 0.870 -12.951 1.00 10.00 C ATOM 1422 O GLU A 90 1.278 -0.212 -12.365 1.00 10.00 O ATOM 1423 CB GLU A 90 3.363 1.738 -14.118 1.00 10.00 C ATOM 1424 CG GLU A 90 4.392 1.365 -15.208 1.00 10.00 C ATOM 1425 CD GLU A 90 5.563 0.525 -14.695 1.00 10.00 C ATOM 1426 OE1 GLU A 90 6.116 0.883 -13.632 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.940 -0.433 -15.409 1.00 10.00 O ATOM 0 H GLU A 90 1.717 2.603 -15.589 1.00 10.00 H new ATOM 0 HA GLU A 90 2.191 0.008 -14.687 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.192 2.814 -14.138 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.775 1.498 -13.138 1.00 10.00 H new ATOM 0 HG2 GLU A 90 3.884 0.816 -16.001 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.782 2.280 -15.654 1.00 10.00 H new ATOM 1434 N ARG A 91 0.752 1.974 -12.442 1.00 10.00 N ATOM 1435 CA ARG A 91 0.049 1.938 -11.167 1.00 10.00 C ATOM 1436 C ARG A 91 -1.063 0.867 -11.239 1.00 10.00 C ATOM 1437 O ARG A 91 -1.281 0.113 -10.292 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.534 3.327 -10.846 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.272 3.388 -9.501 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.327 3.228 -8.309 1.00 10.00 C ATOM 1441 NE ARG A 91 0.535 4.414 -8.163 1.00 10.00 N ATOM 1442 CZ ARG A 91 1.645 4.503 -7.422 1.00 10.00 C ATOM 1443 NH1 ARG A 91 2.124 3.401 -6.826 1.00 10.00 N ATOM 1444 NH2 ARG A 91 2.247 5.690 -7.273 1.00 10.00 N ATOM 0 H ARG A 91 0.774 2.889 -12.891 1.00 10.00 H new ATOM 0 HA ARG A 91 0.740 1.676 -10.366 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.274 4.059 -10.841 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.221 3.616 -11.641 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.796 4.340 -9.420 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.029 2.604 -9.469 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -0.906 3.079 -7.398 1.00 10.00 H new ATOM 0 HD3 ARG A 91 0.289 2.339 -8.444 1.00 10.00 H new ATOM 0 HE ARG A 91 0.258 5.250 -8.678 1.00 10.00 H new ATOM 0 HH11 ARG A 91 1.643 2.509 -6.941 1.00 10.00 H new ATOM 0 HH12 ARG A 91 2.970 3.455 -6.258 1.00 10.00 H new ATOM 0 HH21 ARG A 91 1.859 6.519 -7.723 1.00 10.00 H new ATOM 0 HH22 ARG A 91 3.094 5.765 -6.709 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.763 0.818 -12.379 1.00 10.00 N ATOM 1459 CA GLU A 92 -2.894 -0.072 -12.633 1.00 10.00 C ATOM 1460 C GLU A 92 -2.412 -1.521 -12.725 1.00 10.00 C ATOM 1461 O GLU A 92 -2.948 -2.410 -12.062 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.628 0.350 -13.923 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.151 0.388 -13.746 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.743 -0.993 -13.518 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -5.686 -1.789 -14.482 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.234 -1.233 -12.397 1.00 10.00 O ATOM 0 H GLU A 92 -1.547 1.419 -13.175 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.598 0.002 -11.804 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.277 1.335 -14.232 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.376 -0.344 -14.725 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.400 1.031 -12.902 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.606 0.834 -14.631 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.377 -1.755 -13.540 1.00 10.00 N ATOM 1474 CA ASP A 93 -0.690 -3.041 -13.618 1.00 10.00 C ATOM 1475 C ASP A 93 -0.430 -3.548 -12.197 1.00 10.00 C ATOM 1476 O ASP A 93 -0.757 -4.680 -11.848 1.00 10.00 O ATOM 1477 CB ASP A 93 0.610 -2.912 -14.427 1.00 10.00 C ATOM 1478 CG ASP A 93 0.411 -2.595 -15.906 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -0.676 -2.926 -16.430 1.00 10.00 O ATOM 1480 OD2 ASP A 93 1.363 -2.039 -16.494 1.00 10.00 O ATOM 0 H ASP A 93 -0.993 -1.049 -14.167 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.315 -3.767 -14.139 1.00 10.00 H new ATOM 0 HB2 ASP A 93 1.224 -2.129 -13.981 1.00 10.00 H new ATOM 0 HB3 ASP A 93 1.170 -3.843 -14.341 1.00 10.00 H new ATOM 1485 N LEU A 94 0.090 -2.672 -11.336 1.00 10.00 N ATOM 1486 CA LEU A 94 0.280 -2.987 -9.928 1.00 10.00 C ATOM 1487 C LEU A 94 -0.994 -3.528 -9.263 1.00 10.00 C ATOM 1488 O LEU A 94 -0.971 -4.635 -8.716 1.00 10.00 O ATOM 1489 CB LEU A 94 0.838 -1.768 -9.190 1.00 10.00 C ATOM 1490 CG LEU A 94 1.999 -2.180 -8.288 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.608 -0.934 -7.660 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.563 -3.089 -7.159 1.00 10.00 C ATOM 0 H LEU A 94 0.388 -1.732 -11.597 1.00 10.00 H new ATOM 0 HA LEU A 94 1.009 -3.795 -9.864 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.175 -1.022 -9.909 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.052 -1.304 -8.594 1.00 10.00 H new ATOM 0 HG LEU A 94 2.713 -2.717 -8.913 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.438 -1.221 -7.014 1.00 10.00 H new ATOM 0 HD12 LEU A 94 2.971 -0.271 -8.445 1.00 10.00 H new ATOM 0 HD13 LEU A 94 1.851 -0.417 -7.070 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.427 -3.351 -6.549 1.00 10.00 H new ATOM 0 HD22 LEU A 94 0.826 -2.575 -6.542 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.122 -3.996 -7.572 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.101 -2.768 -9.303 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.395 -3.236 -8.808 1.00 10.00 C ATOM 1506 C ILE A 95 -3.703 -4.635 -9.338 1.00 10.00 C ATOM 1507 O ILE A 95 -4.166 -5.482 -8.579 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.533 -2.239 -9.136 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.694 -1.203 -8.022 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.903 -2.927 -9.294 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.600 -0.145 -7.967 1.00 10.00 C ATOM 0 H ILE A 95 -2.119 -1.819 -9.678 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.332 -3.294 -7.721 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.242 -1.774 -10.078 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.655 -0.704 -8.146 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.725 -1.723 -7.064 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.662 -2.179 -9.523 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.854 -3.654 -10.105 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.164 -3.436 -8.366 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.801 0.544 -7.146 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.635 -0.627 -7.809 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.580 0.407 -8.907 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.474 -4.884 -10.627 1.00 10.00 N ATOM 1524 CA ALA A 96 -3.747 -6.189 -11.220 1.00 10.00 C ATOM 1525 C ALA A 96 -3.054 -7.324 -10.478 1.00 10.00 C ATOM 1526 O ALA A 96 -3.691 -8.327 -10.162 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.362 -6.215 -12.686 1.00 10.00 C ATOM 0 H ALA A 96 -3.099 -4.196 -11.280 1.00 10.00 H new ATOM 0 HA ALA A 96 -4.822 -6.347 -11.132 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -3.577 -7.200 -13.101 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -3.935 -5.461 -13.226 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.298 -6.003 -12.786 1.00 10.00 H new ATOM 1533 N TYR A 97 -1.757 -7.184 -10.199 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.079 -8.185 -9.390 1.00 10.00 C ATOM 1535 C TYR A 97 -1.730 -8.256 -8.021 1.00 10.00 C ATOM 1536 O TYR A 97 -2.222 -9.309 -7.613 1.00 10.00 O ATOM 1537 CB TYR A 97 0.407 -7.872 -9.254 1.00 10.00 C ATOM 1538 CG TYR A 97 1.143 -8.797 -8.299 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.176 -10.177 -8.566 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.779 -8.295 -7.144 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.862 -11.046 -7.704 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.497 -9.165 -6.299 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.538 -10.543 -6.581 1.00 10.00 C ATOM 1544 OH TYR A 97 3.312 -11.398 -5.854 1.00 10.00 O ATOM 0 H TYR A 97 -1.173 -6.409 -10.513 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.170 -9.151 -9.887 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.873 -7.934 -10.237 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.522 -6.844 -8.911 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.672 -10.569 -9.437 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.716 -7.243 -6.907 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.870 -12.107 -7.905 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.015 -8.774 -5.436 1.00 10.00 H new ATOM 0 HH TYR A 97 3.721 -10.914 -5.106 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.722 -7.117 -7.327 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.272 -6.983 -5.990 1.00 10.00 C ATOM 1556 C LEU A 98 -3.614 -7.710 -5.836 1.00 10.00 C ATOM 1557 O LEU A 98 -3.774 -8.468 -4.886 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.325 -5.505 -5.582 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.381 -5.175 -4.409 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.253 -4.252 -4.838 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -2.151 -4.495 -3.283 1.00 10.00 C ATOM 0 H LEU A 98 -1.325 -6.251 -7.690 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.603 -7.484 -5.291 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.061 -4.886 -6.440 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.347 -5.246 -5.304 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.959 -6.120 -4.066 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.391 -4.043 -3.984 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.331 -4.732 -5.623 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.670 -3.318 -5.215 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.471 -4.268 -2.462 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.595 -3.570 -3.652 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.939 -5.159 -2.928 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.551 -7.545 -6.775 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.827 -8.259 -6.798 1.00 10.00 C ATOM 1575 C LYS A 99 -5.687 -9.739 -6.446 1.00 10.00 C ATOM 1576 O LYS A 99 -6.449 -10.251 -5.632 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.500 -8.118 -8.172 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.228 -6.780 -8.315 1.00 10.00 C ATOM 1579 CD LYS A 99 -7.494 -6.435 -9.786 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.772 -5.602 -9.922 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.978 -6.443 -10.023 1.00 10.00 N ATOM 0 H LYS A 99 -4.439 -6.898 -7.555 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.450 -7.799 -6.031 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -5.748 -8.208 -8.956 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.208 -8.934 -8.315 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.173 -6.820 -7.774 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.632 -5.990 -7.858 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -6.648 -5.882 -10.194 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -7.587 -7.351 -10.369 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -8.865 -4.939 -9.062 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.698 -4.968 -10.806 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -10.818 -5.836 -10.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -9.904 -7.058 -10.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.065 -7.029 -9.168 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.749 -10.435 -7.084 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.560 -11.865 -6.876 1.00 10.00 C ATOM 1597 C LYS A 100 -3.645 -12.081 -5.675 1.00 10.00 C ATOM 1598 O LYS A 100 -3.875 -12.958 -4.848 1.00 10.00 O ATOM 1599 CB LYS A 100 -3.969 -12.484 -8.149 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.884 -12.209 -9.356 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.521 -13.475 -9.963 1.00 10.00 C ATOM 1602 CE LYS A 100 -7.038 -13.296 -10.147 1.00 10.00 C ATOM 1603 NZ LYS A 100 -7.659 -14.447 -10.838 1.00 10.00 N ATOM 0 H LYS A 100 -4.102 -10.024 -7.757 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.514 -12.351 -6.670 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -2.978 -12.071 -8.335 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.847 -13.559 -8.015 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.677 -11.527 -9.049 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.307 -11.700 -10.128 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.058 -13.694 -10.925 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.328 -14.330 -9.315 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -7.507 -13.164 -9.172 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -7.228 -12.387 -10.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -8.681 -14.281 -10.939 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -7.231 -14.559 -11.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.502 -15.312 -10.282 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.604 -11.255 -5.598 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.535 -11.411 -4.624 1.00 10.00 C ATOM 1619 C ALA A 101 -2.097 -11.272 -3.215 1.00 10.00 C ATOM 1620 O ALA A 101 -1.989 -12.168 -2.394 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.436 -10.382 -4.891 1.00 10.00 C ATOM 0 H ALA A 101 -2.481 -10.453 -6.216 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.096 -12.404 -4.716 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.362 -10.504 -4.158 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.034 -10.531 -5.893 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.851 -9.377 -4.812 1.00 10.00 H new ATOM 1627 N THR A 102 -2.747 -10.145 -2.939 1.00 10.00 N ATOM 1628 CA THR A 102 -3.318 -9.902 -1.628 1.00 10.00 C ATOM 1629 C THR A 102 -4.366 -10.956 -1.287 1.00 10.00 C ATOM 1630 O THR A 102 -4.466 -11.363 -0.133 1.00 10.00 O ATOM 1631 CB THR A 102 -3.889 -8.485 -1.557 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.966 -8.316 -2.456 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.787 -7.484 -1.892 1.00 10.00 C ATOM 0 H THR A 102 -2.889 -9.389 -3.609 1.00 10.00 H new ATOM 0 HA THR A 102 -2.530 -9.982 -0.879 1.00 10.00 H new ATOM 0 HB THR A 102 -4.262 -8.316 -0.547 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.653 -8.465 -3.373 1.00 10.00 H new ATOM 0 HG21 THR A 102 -3.188 -6.472 -1.843 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.972 -7.587 -1.175 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.413 -7.678 -2.897 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.150 -11.371 -2.285 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.173 -12.391 -2.134 1.00 10.00 C ATOM 1643 C ASN A 103 -5.562 -13.691 -1.598 1.00 10.00 C ATOM 1644 O ASN A 103 -6.086 -14.234 -0.626 1.00 10.00 O ATOM 1645 CB ASN A 103 -6.920 -12.539 -3.466 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.120 -13.479 -3.426 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.070 -14.572 -2.883 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.229 -13.067 -4.038 1.00 10.00 N ATOM 0 H ASN A 103 -5.085 -10.998 -3.232 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.912 -12.101 -1.387 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.259 -11.554 -3.788 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.220 -12.898 -4.221 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.053 -13.667 -4.058 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.254 -12.151 -4.487 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.443 -14.143 -2.179 1.00 10.00 N ATOM 1656 CA GLU A 104 -3.701 -15.305 -1.696 1.00 10.00 C ATOM 1657 C GLU A 104 -2.186 -15.054 -1.721 1.00 10.00 C ATOM 1658 O GLU A 104 -1.600 -15.236 -2.812 1.00 10.00 O ATOM 1659 CB GLU A 104 -4.068 -16.546 -2.524 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.478 -17.069 -2.214 1.00 10.00 C ATOM 1661 CD GLU A 104 -5.627 -18.531 -2.615 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -5.140 -19.382 -1.838 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -6.212 -18.777 -3.692 1.00 10.00 O ATOM 1664 OXT GLU A 104 -1.632 -14.734 -0.641 1.00 10.00 O ATOM 0 H GLU A 104 -4.028 -13.707 -3.002 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.982 -15.482 -0.658 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -4.000 -16.303 -3.584 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.341 -17.335 -2.330 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -5.683 -16.959 -1.149 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -6.216 -16.467 -2.744 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 3.354 5.059 0.564 1.00 10.00 N HETATM 1673 C2 IMD A 105 3.768 3.788 0.405 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.076 2.954 1.191 1.00 10.00 N HETATM 1675 C4 IMD A 105 2.153 3.757 1.864 1.00 10.00 C HETATM 1676 C5 IMD A 105 2.330 5.059 1.488 1.00 10.00 C HETATM 0 HN1 IMD A 105 3.731 5.877 0.086 1.00 10.00 H new HETATM 0 H5 IMD A 105 1.773 5.925 1.847 1.00 10.00 H new HETATM 0 H4 IMD A 105 1.409 3.402 2.577 1.00 10.00 H new HETATM 0 H2 IMD A 105 4.562 3.479 -0.274 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.228 1.005 1.335 1.00 10.00 FE HETATM 1682 CHA HEC A 110 0.841 1.060 3.748 1.00 10.00 C HETATM 1683 CHB HEC A 110 0.902 0.291 -1.029 1.00 10.00 C HETATM 1684 CHC HEC A 110 5.694 1.106 -1.051 1.00 10.00 C HETATM 1685 CHD HEC A 110 5.665 1.360 3.774 1.00 10.00 C HETATM 1686 NA HEC A 110 1.250 0.825 1.341 1.00 10.00 N HETATM 1687 C1A HEC A 110 0.460 0.928 2.441 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.919 0.842 2.032 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.909 0.559 0.683 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.479 0.561 0.260 1.00 10.00 C HETATM 1691 CMA HEC A 110 -2.102 0.249 -0.195 1.00 10.00 C HETATM 1692 CAA HEC A 110 -2.101 0.876 2.987 1.00 10.00 C HETATM 1693 CBA HEC A 110 -2.212 2.172 3.823 1.00 10.00 C HETATM 1694 CGA HEC A 110 -2.915 1.991 5.182 1.00 10.00 C HETATM 1695 O1A HEC A 110 -3.302 3.015 5.793 1.00 10.00 O HETATM 1696 O2A HEC A 110 -3.045 0.830 5.635 1.00 10.00 O HETATM 1697 NB HEC A 110 3.294 0.756 -0.645 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.228 0.409 -1.411 1.00 10.00 C HETATM 1699 C2B HEC A 110 2.716 0.129 -2.745 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.050 0.473 -2.781 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.409 0.822 -1.427 1.00 10.00 C HETATM 1702 CMB HEC A 110 1.934 -0.543 -3.850 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.001 0.371 -3.974 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.457 1.010 -5.270 1.00 10.00 C HETATM 1705 NC HEC A 110 5.284 1.199 1.351 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.074 1.218 0.250 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.449 1.369 0.656 1.00 10.00 C HETATM 1708 C3C HEC A 110 7.457 1.349 2.027 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.070 1.311 2.458 1.00 10.00 C HETATM 1710 CMC HEC A 110 8.666 1.474 -0.244 1.00 10.00 C HETATM 1711 CAC HEC A 110 8.697 1.236 2.899 1.00 10.00 C HETATM 1712 CBC HEC A 110 9.699 2.385 2.735 1.00 10.00 C HETATM 1713 ND HEC A 110 3.250 1.193 3.361 1.00 10.00 N HETATM 1714 C1D HEC A 110 4.344 1.340 4.141 1.00 10.00 C HETATM 1715 C2D HEC A 110 3.910 1.482 5.512 1.00 10.00 C HETATM 1716 C3D HEC A 110 2.541 1.403 5.512 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.138 1.219 4.139 1.00 10.00 C HETATM 1718 CMD HEC A 110 4.791 1.701 6.720 1.00 10.00 C HETATM 1719 CAD HEC A 110 1.630 1.616 6.701 1.00 10.00 C HETATM 1720 CBD HEC A 110 1.386 3.099 7.016 1.00 10.00 C HETATM 1721 CGD HEC A 110 0.804 3.921 5.846 1.00 10.00 C HETATM 1722 O1D HEC A 110 -0.275 4.535 5.984 1.00 10.00 O HETATM 1723 O2D HEC A 110 1.506 4.001 4.816 1.00 10.00 O HETATM 0 HMD3 HEC A 110 5.484 0.866 6.821 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 5.353 2.627 6.597 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 4.172 1.769 7.614 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 8.747 0.574 -0.853 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 8.564 2.344 -0.893 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 9.562 1.580 0.367 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.635 -1.541 -3.529 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.046 0.047 -4.078 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.557 -0.620 -4.741 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.610 -0.639 0.181 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.791 1.093 -0.184 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.765 0.069 -1.216 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 0.706 3.169 7.865 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 2.329 3.550 7.325 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.042 2.424 1.701 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 9.217 3.328 2.993 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 10.551 2.221 3.395 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.529 0.516 -5.557 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.267 2.070 -5.101 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.191 0.895 -6.068 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -1.211 2.567 3.995 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -2.754 2.919 3.243 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 0.674 1.129 6.510 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 2.065 1.132 7.575 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -3.019 0.749 2.414 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.028 0.026 3.665 1.00 10.00 H new HETATM 0 HHD HEC A 110 6.424 1.417 4.554 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.445 1.249 -1.828 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.167 -0.025 -1.769 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.068 1.037 4.517 1.00 10.00 H new HETATM 0 H2D HEC A 110 1.497 4.923 4.485 1.00 10.00 H new HETATM 0 H2A HEC A 110 -3.929 0.737 6.049 1.00 10.00 H new