USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot -96:sc= 0.931 USER MOD Set 1.2: A 54 SER OG : rot 180:sc= 0.839 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.64! K(o=-3.4!,f=-4.2) USER MOD Set 3.2: A 64 GLN : amide:sc= -0.774 K(o=-3.4,f=-4.2!) USER MOD Set 4.1: A 6 SER OG : rot 144:sc= 0.0738 USER MOD Set 4.2: A 56 GLN : amide:sc= 0.0726 K(o=0.15,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ -178:sc= 0.859 (180deg=0.855) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -166:sc= -4.28! (180deg=-4.58!) USER MOD Single : A 13 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.2!) USER MOD Single : A 17 GLN : amide:sc= -0.0884 K(o=-0.088,f=-1.1) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 67:sc= 0.487 USER MOD Single : A 38 HIS : no HE2:sc= -0.553 X(o=-0.55,f=-0.36) USER MOD Single : A 42 THR OG1 : rot -82:sc= 0.618 USER MOD Single : A 43 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 44 TYR OH : rot 90:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 152:sc= -4.15 (180deg=-6.05!) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0658) USER MOD Single : A 58 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-4.3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.329 USER MOD Single : A 68 HIS : no HD1:sc= -4.3! C(o=-4.3!,f=-2.9!) USER MOD Single : A 69 MET CE :methyl -167:sc= -0.501 (180deg=-0.93) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.56) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 132:sc= -0.146 (180deg=-0.816) USER MOD Single : A 83 LYS NZ :NH3+ 153:sc= -0.969 (180deg=-1.92!) USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= -1.1 (180deg=-1.64) USER MOD Single : A 91 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 92 SER OG : rot 36:sc= 0.895 USER MOD Single : A 95 SER OG : rot 114:sc= 0.00172 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.676 26.376 9.195 1.00 0.00 N ATOM 2 CA GLY A 1 -8.945 24.998 9.562 1.00 0.00 C ATOM 3 C GLY A 1 -9.051 24.808 11.062 1.00 0.00 C ATOM 4 O GLY A 1 -9.840 25.480 11.726 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.646 26.460 8.159 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.428 26.988 9.571 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.761 26.669 9.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.873 24.674 9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.151 24.360 9.173 1.00 0.00 H new ATOM 8 N SER A 2 -8.256 23.887 11.598 1.00 0.00 N ATOM 9 CA SER A 2 -8.268 23.606 13.029 1.00 0.00 C ATOM 10 C SER A 2 -7.025 24.176 13.705 1.00 0.00 C ATOM 11 O SER A 2 -5.915 23.683 13.506 1.00 0.00 O ATOM 12 CB SER A 2 -8.348 22.098 13.273 1.00 0.00 C ATOM 13 OG SER A 2 -9.686 21.637 13.184 1.00 0.00 O ATOM 0 H SER A 2 -7.596 23.323 11.063 1.00 0.00 H new ATOM 0 HA SER A 2 -9.147 24.084 13.461 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.731 21.575 12.543 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.944 21.864 14.258 1.00 0.00 H new ATOM 0 HG SER A 2 -9.710 20.670 13.342 1.00 0.00 H new ATOM 19 N SER A 3 -7.221 25.219 14.506 1.00 0.00 N ATOM 20 CA SER A 3 -6.116 25.860 15.209 1.00 0.00 C ATOM 21 C SER A 3 -5.008 26.254 14.237 1.00 0.00 C ATOM 22 O SER A 3 -3.825 26.066 14.517 1.00 0.00 O ATOM 23 CB SER A 3 -5.559 24.927 16.285 1.00 0.00 C ATOM 24 OG SER A 3 -6.396 24.909 17.428 1.00 0.00 O ATOM 0 H SER A 3 -8.134 25.638 14.684 1.00 0.00 H new ATOM 0 HA SER A 3 -6.496 26.764 15.684 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.466 23.918 15.883 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.558 25.251 16.569 1.00 0.00 H new ATOM 0 HG SER A 3 -6.019 24.304 18.100 1.00 0.00 H new ATOM 30 N GLY A 4 -5.402 26.801 13.091 1.00 0.00 N ATOM 31 CA GLY A 4 -4.431 27.213 12.094 1.00 0.00 C ATOM 32 C GLY A 4 -5.074 27.553 10.764 1.00 0.00 C ATOM 33 O GLY A 4 -6.053 26.924 10.361 1.00 0.00 O ATOM 0 H GLY A 4 -6.376 26.966 12.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.883 28.081 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.703 26.415 11.949 1.00 0.00 H new ATOM 37 N SER A 5 -4.526 28.553 10.082 1.00 0.00 N ATOM 38 CA SER A 5 -5.056 28.981 8.792 1.00 0.00 C ATOM 39 C SER A 5 -4.187 28.464 7.649 1.00 0.00 C ATOM 40 O SER A 5 -3.927 29.177 6.681 1.00 0.00 O ATOM 41 CB SER A 5 -5.141 30.507 8.733 1.00 0.00 C ATOM 42 OG SER A 5 -5.922 31.016 9.800 1.00 0.00 O ATOM 0 H SER A 5 -3.715 29.083 10.401 1.00 0.00 H new ATOM 0 HA SER A 5 -6.057 28.564 8.682 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.138 30.932 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.576 30.814 7.782 1.00 0.00 H new ATOM 0 HG SER A 5 -5.959 31.993 9.741 1.00 0.00 H new ATOM 48 N SER A 6 -3.742 27.217 7.770 1.00 0.00 N ATOM 49 CA SER A 6 -2.899 26.604 6.750 1.00 0.00 C ATOM 50 C SER A 6 -3.062 25.087 6.750 1.00 0.00 C ATOM 51 O SER A 6 -3.767 24.528 7.589 1.00 0.00 O ATOM 52 CB SER A 6 -1.432 26.971 6.983 1.00 0.00 C ATOM 53 OG SER A 6 -0.954 26.416 8.196 1.00 0.00 O ATOM 0 H SER A 6 -3.951 26.612 8.564 1.00 0.00 H new ATOM 0 HA SER A 6 -3.212 26.985 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.827 26.610 6.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.325 28.055 7.008 1.00 0.00 H new ATOM 0 HG SER A 6 -0.020 26.142 8.085 1.00 0.00 H new ATOM 59 N GLY A 7 -2.405 24.428 5.801 1.00 0.00 N ATOM 60 CA GLY A 7 -2.490 22.982 5.708 1.00 0.00 C ATOM 61 C GLY A 7 -2.619 22.499 4.277 1.00 0.00 C ATOM 62 O GLY A 7 -3.233 23.165 3.443 1.00 0.00 O ATOM 0 H GLY A 7 -1.816 24.869 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.602 22.539 6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.347 22.634 6.284 1.00 0.00 H new ATOM 66 N MET A 8 -2.037 21.339 3.991 1.00 0.00 N ATOM 67 CA MET A 8 -2.089 20.769 2.649 1.00 0.00 C ATOM 68 C MET A 8 -3.331 19.901 2.476 1.00 0.00 C ATOM 69 O MET A 8 -3.234 18.727 2.120 1.00 0.00 O ATOM 70 CB MET A 8 -0.832 19.942 2.374 1.00 0.00 C ATOM 71 CG MET A 8 -0.597 19.665 0.898 1.00 0.00 C ATOM 72 SD MET A 8 0.212 21.038 0.055 1.00 0.00 S ATOM 73 CE MET A 8 1.596 20.196 -0.711 1.00 0.00 C ATOM 0 H MET A 8 -1.524 20.776 4.669 1.00 0.00 H new ATOM 0 HA MET A 8 -2.138 21.590 1.934 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.034 20.466 2.779 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.908 18.993 2.906 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.014 18.768 0.793 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.552 19.458 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.323 20.931 -1.057 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.067 19.534 0.016 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.241 19.610 -1.559 1.00 0.00 H new ATOM 83 N GLU A 9 -4.498 20.487 2.730 1.00 0.00 N ATOM 84 CA GLU A 9 -5.758 19.764 2.603 1.00 0.00 C ATOM 85 C GLU A 9 -6.119 19.555 1.135 1.00 0.00 C ATOM 86 O GLU A 9 -6.876 20.332 0.554 1.00 0.00 O ATOM 87 CB GLU A 9 -6.881 20.524 3.312 1.00 0.00 C ATOM 88 CG GLU A 9 -7.015 20.177 4.785 1.00 0.00 C ATOM 89 CD GLU A 9 -8.340 20.623 5.372 1.00 0.00 C ATOM 90 OE1 GLU A 9 -8.415 21.768 5.863 1.00 0.00 O ATOM 91 OE2 GLU A 9 -9.301 19.827 5.339 1.00 0.00 O ATOM 0 H GLU A 9 -4.596 21.459 3.024 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.637 18.788 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.702 21.595 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.825 20.312 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.910 19.099 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.201 20.644 5.340 1.00 0.00 H new ATOM 98 N GLY A 10 -5.570 18.500 0.541 1.00 0.00 N ATOM 99 CA GLY A 10 -5.845 18.207 -0.854 1.00 0.00 C ATOM 100 C GLY A 10 -5.204 16.912 -1.312 1.00 0.00 C ATOM 101 O GLY A 10 -5.864 15.882 -1.450 1.00 0.00 O ATOM 0 H GLY A 10 -4.940 17.843 1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.923 18.148 -1.004 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.482 19.027 -1.473 1.00 0.00 H new ATOM 105 N PRO A 11 -3.886 16.954 -1.557 1.00 0.00 N ATOM 106 CA PRO A 11 -3.127 15.784 -2.007 1.00 0.00 C ATOM 107 C PRO A 11 -2.989 14.728 -0.916 1.00 0.00 C ATOM 108 O PRO A 11 -2.549 13.607 -1.175 1.00 0.00 O ATOM 109 CB PRO A 11 -1.756 16.366 -2.364 1.00 0.00 C ATOM 110 CG PRO A 11 -1.641 17.599 -1.535 1.00 0.00 C ATOM 111 CD PRO A 11 -3.036 18.148 -1.413 1.00 0.00 C ATOM 0 HA PRO A 11 -3.618 15.274 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.956 15.661 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.688 16.596 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.224 17.372 -0.554 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.976 18.324 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.192 18.639 -0.452 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.246 18.887 -2.186 1.00 0.00 H new ATOM 119 N LEU A 12 -3.367 15.091 0.304 1.00 0.00 N ATOM 120 CA LEU A 12 -3.287 14.174 1.435 1.00 0.00 C ATOM 121 C LEU A 12 -4.481 13.226 1.454 1.00 0.00 C ATOM 122 O LEU A 12 -4.318 12.008 1.512 1.00 0.00 O ATOM 123 CB LEU A 12 -3.222 14.957 2.748 1.00 0.00 C ATOM 124 CG LEU A 12 -1.954 15.780 2.977 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.097 16.646 4.219 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.741 14.870 3.096 1.00 0.00 C ATOM 0 H LEU A 12 -3.732 16.015 0.536 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.379 13.582 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.079 15.629 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.328 14.253 3.573 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.809 16.434 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.185 17.225 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.941 17.324 4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.268 16.011 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.152 15.473 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.877 14.190 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.627 14.294 2.178 1.00 0.00 H new ATOM 138 N ASN A 13 -5.682 13.793 1.402 1.00 0.00 N ATOM 139 CA ASN A 13 -6.904 12.998 1.411 1.00 0.00 C ATOM 140 C ASN A 13 -6.930 12.027 0.234 1.00 0.00 C ATOM 141 O ASN A 13 -7.264 10.852 0.392 1.00 0.00 O ATOM 142 CB ASN A 13 -8.131 13.910 1.361 1.00 0.00 C ATOM 143 CG ASN A 13 -9.391 13.211 1.834 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.624 12.045 1.515 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.211 13.923 2.598 1.00 0.00 N ATOM 0 H ASN A 13 -5.835 14.800 1.353 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.926 12.421 2.336 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.952 14.789 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.276 14.263 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.075 13.506 2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.977 14.887 2.837 1.00 0.00 H new ATOM 152 N LEU A 14 -6.575 12.525 -0.945 1.00 0.00 N ATOM 153 CA LEU A 14 -6.556 11.702 -2.149 1.00 0.00 C ATOM 154 C LEU A 14 -5.738 10.434 -1.929 1.00 0.00 C ATOM 155 O LEU A 14 -6.203 9.328 -2.206 1.00 0.00 O ATOM 156 CB LEU A 14 -5.981 12.496 -3.324 1.00 0.00 C ATOM 157 CG LEU A 14 -6.984 13.321 -4.131 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.262 14.213 -5.128 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.971 12.409 -4.846 1.00 0.00 C ATOM 0 H LEU A 14 -6.296 13.495 -1.093 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.582 11.415 -2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.213 13.168 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.487 11.799 -4.000 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.540 13.957 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.992 14.792 -5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.596 14.891 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.680 13.596 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.678 13.013 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.430 11.748 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.513 11.813 -4.112 1.00 0.00 H new ATOM 171 N ALA A 15 -4.519 10.601 -1.428 1.00 0.00 N ATOM 172 CA ALA A 15 -3.638 9.470 -1.166 1.00 0.00 C ATOM 173 C ALA A 15 -4.251 8.522 -0.141 1.00 0.00 C ATOM 174 O ALA A 15 -4.054 7.309 -0.206 1.00 0.00 O ATOM 175 CB ALA A 15 -2.278 9.958 -0.690 1.00 0.00 C ATOM 0 H ALA A 15 -4.119 11.510 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.508 8.920 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.631 9.102 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.828 10.588 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.399 10.534 0.227 1.00 0.00 H new ATOM 181 N HIS A 16 -4.995 9.085 0.807 1.00 0.00 N ATOM 182 CA HIS A 16 -5.637 8.289 1.848 1.00 0.00 C ATOM 183 C HIS A 16 -6.680 7.350 1.248 1.00 0.00 C ATOM 184 O HIS A 16 -6.799 6.197 1.661 1.00 0.00 O ATOM 185 CB HIS A 16 -6.291 9.201 2.886 1.00 0.00 C ATOM 186 CG HIS A 16 -5.337 10.162 3.525 1.00 0.00 C ATOM 187 ND1 HIS A 16 -5.743 11.186 4.355 1.00 0.00 N ATOM 188 CD2 HIS A 16 -3.988 10.249 3.455 1.00 0.00 C ATOM 189 CE1 HIS A 16 -4.685 11.862 4.766 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.607 11.314 4.234 1.00 0.00 N ATOM 0 H HIS A 16 -5.168 10.088 0.876 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.870 7.687 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.095 9.762 2.409 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.748 8.586 3.661 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.709 11.390 4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.333 9.601 2.891 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.699 12.717 5.425 1.00 0.00 H new ATOM 199 N GLN A 17 -7.432 7.854 0.275 1.00 0.00 N ATOM 200 CA GLN A 17 -8.465 7.060 -0.380 1.00 0.00 C ATOM 201 C GLN A 17 -7.905 5.723 -0.856 1.00 0.00 C ATOM 202 O GLN A 17 -8.578 4.696 -0.779 1.00 0.00 O ATOM 203 CB GLN A 17 -9.056 7.829 -1.562 1.00 0.00 C ATOM 204 CG GLN A 17 -10.043 8.910 -1.152 1.00 0.00 C ATOM 205 CD GLN A 17 -10.639 9.637 -2.341 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.222 10.746 -2.678 1.00 0.00 O ATOM 207 NE2 GLN A 17 -11.620 9.016 -2.985 1.00 0.00 N ATOM 0 H GLN A 17 -7.346 8.807 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.253 6.864 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.245 8.285 -2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.556 7.126 -2.229 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.845 8.461 -0.566 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.540 9.629 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.935 8.098 -2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.059 9.457 -3.793 1.00 0.00 H new ATOM 216 N GLN A 18 -6.670 5.746 -1.348 1.00 0.00 N ATOM 217 CA GLN A 18 -6.021 4.536 -1.838 1.00 0.00 C ATOM 218 C GLN A 18 -5.601 3.637 -0.679 1.00 0.00 C ATOM 219 O GLN A 18 -5.897 2.442 -0.670 1.00 0.00 O ATOM 220 CB GLN A 18 -4.802 4.895 -2.688 1.00 0.00 C ATOM 221 CG GLN A 18 -5.075 5.980 -3.717 1.00 0.00 C ATOM 222 CD GLN A 18 -4.145 5.900 -4.911 1.00 0.00 C ATOM 223 OE1 GLN A 18 -3.155 6.627 -4.992 1.00 0.00 O ATOM 224 NE2 GLN A 18 -4.460 5.013 -5.848 1.00 0.00 N ATOM 0 H GLN A 18 -6.100 6.589 -1.418 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.737 3.993 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.996 5.223 -2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.451 4.000 -3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.107 5.899 -4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.971 6.957 -3.245 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.290 4.430 -5.740 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.872 4.914 -6.675 1.00 0.00 H new ATOM 233 N SER A 19 -4.910 4.219 0.295 1.00 0.00 N ATOM 234 CA SER A 19 -4.445 3.469 1.456 1.00 0.00 C ATOM 235 C SER A 19 -5.465 2.408 1.861 1.00 0.00 C ATOM 236 O SER A 19 -5.144 1.222 1.941 1.00 0.00 O ATOM 237 CB SER A 19 -4.184 4.416 2.629 1.00 0.00 C ATOM 238 OG SER A 19 -3.637 3.718 3.735 1.00 0.00 O ATOM 0 H SER A 19 -4.660 5.208 0.304 1.00 0.00 H new ATOM 0 HA SER A 19 -3.514 2.969 1.187 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.499 5.205 2.318 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.115 4.900 2.924 1.00 0.00 H new ATOM 0 HG SER A 19 -3.477 4.345 4.471 1.00 0.00 H new ATOM 244 N ARG A 20 -6.694 2.845 2.116 1.00 0.00 N ATOM 245 CA ARG A 20 -7.761 1.934 2.513 1.00 0.00 C ATOM 246 C ARG A 20 -7.749 0.674 1.653 1.00 0.00 C ATOM 247 O ARG A 20 -7.645 -0.440 2.166 1.00 0.00 O ATOM 248 CB ARG A 20 -9.120 2.628 2.403 1.00 0.00 C ATOM 249 CG ARG A 20 -9.295 3.782 3.376 1.00 0.00 C ATOM 250 CD ARG A 20 -9.452 3.287 4.806 1.00 0.00 C ATOM 251 NE ARG A 20 -10.723 2.596 5.009 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.873 3.222 5.230 1.00 0.00 C ATOM 253 NH1 ARG A 20 -11.912 4.547 5.275 1.00 0.00 N ATOM 254 NH2 ARG A 20 -12.987 2.524 5.405 1.00 0.00 N ATOM 0 H ARG A 20 -6.975 3.824 2.055 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.591 1.646 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.248 2.999 1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.908 1.895 2.576 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.433 4.447 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.170 4.367 3.094 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.630 2.613 5.049 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.385 4.132 5.492 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.727 1.576 4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.057 5.087 5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.797 5.026 5.445 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.961 1.505 5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.870 3.006 5.575 1.00 0.00 H new ATOM 268 N ARG A 21 -7.858 0.859 0.341 1.00 0.00 N ATOM 269 CA ARG A 21 -7.862 -0.262 -0.591 1.00 0.00 C ATOM 270 C ARG A 21 -6.744 -1.248 -0.261 1.00 0.00 C ATOM 271 O ARG A 21 -6.993 -2.434 -0.046 1.00 0.00 O ATOM 272 CB ARG A 21 -7.705 0.240 -2.027 1.00 0.00 C ATOM 273 CG ARG A 21 -7.732 -0.868 -3.067 1.00 0.00 C ATOM 274 CD ARG A 21 -7.892 -0.311 -4.472 1.00 0.00 C ATOM 275 NE ARG A 21 -7.989 -1.369 -5.474 1.00 0.00 N ATOM 276 CZ ARG A 21 -9.125 -1.984 -5.786 1.00 0.00 C ATOM 277 NH1 ARG A 21 -10.254 -1.646 -5.178 1.00 0.00 N ATOM 278 NH2 ARG A 21 -9.132 -2.938 -6.708 1.00 0.00 N ATOM 0 H ARG A 21 -7.945 1.775 -0.100 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.818 -0.777 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.503 0.950 -2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.764 0.783 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.810 -1.447 -3.007 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.553 -1.552 -2.850 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.786 0.312 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.044 0.332 -4.705 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.138 -1.651 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.252 -0.913 -4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.125 -2.119 -5.419 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.265 -3.200 -7.178 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.004 -3.410 -6.947 1.00 0.00 H new ATOM 292 N ALA A 22 -5.514 -0.748 -0.222 1.00 0.00 N ATOM 293 CA ALA A 22 -4.359 -1.583 0.083 1.00 0.00 C ATOM 294 C ALA A 22 -4.600 -2.415 1.338 1.00 0.00 C ATOM 295 O ALA A 22 -4.276 -3.602 1.379 1.00 0.00 O ATOM 296 CB ALA A 22 -3.115 -0.723 0.249 1.00 0.00 C ATOM 0 H ALA A 22 -5.291 0.232 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.206 -2.267 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.260 -1.360 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.925 -0.176 -0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.268 -0.016 1.064 1.00 0.00 H new ATOM 302 N ASP A 23 -5.169 -1.786 2.360 1.00 0.00 N ATOM 303 CA ASP A 23 -5.454 -2.469 3.616 1.00 0.00 C ATOM 304 C ASP A 23 -6.491 -3.569 3.414 1.00 0.00 C ATOM 305 O ASP A 23 -6.276 -4.717 3.802 1.00 0.00 O ATOM 306 CB ASP A 23 -5.950 -1.470 4.663 1.00 0.00 C ATOM 307 CG ASP A 23 -4.813 -0.800 5.409 1.00 0.00 C ATOM 308 OD1 ASP A 23 -4.317 0.239 4.926 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.420 -1.315 6.476 1.00 0.00 O ATOM 0 H ASP A 23 -5.442 -0.803 2.343 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.530 -2.926 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.559 -0.709 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.594 -1.985 5.375 1.00 0.00 H new ATOM 314 N ARG A 24 -7.616 -3.210 2.804 1.00 0.00 N ATOM 315 CA ARG A 24 -8.687 -4.167 2.552 1.00 0.00 C ATOM 316 C ARG A 24 -8.177 -5.352 1.738 1.00 0.00 C ATOM 317 O ARG A 24 -8.692 -6.465 1.852 1.00 0.00 O ATOM 318 CB ARG A 24 -9.843 -3.488 1.815 1.00 0.00 C ATOM 319 CG ARG A 24 -10.448 -2.319 2.576 1.00 0.00 C ATOM 320 CD ARG A 24 -11.231 -2.790 3.791 1.00 0.00 C ATOM 321 NE ARG A 24 -12.336 -1.891 4.113 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.508 -1.914 3.488 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.726 -2.786 2.513 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.464 -1.064 3.838 1.00 0.00 N ATOM 0 H ARG A 24 -7.809 -2.264 2.475 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.044 -4.536 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.488 -3.135 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.622 -4.226 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.656 -1.641 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.105 -1.754 1.915 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.621 -3.791 3.605 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.561 -2.862 4.648 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.200 -1.208 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.993 -3.441 2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.627 -2.802 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.300 -0.392 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.364 -1.082 3.358 1.00 0.00 H new ATOM 338 N LEU A 25 -7.163 -5.106 0.916 1.00 0.00 N ATOM 339 CA LEU A 25 -6.583 -6.153 0.081 1.00 0.00 C ATOM 340 C LEU A 25 -5.657 -7.048 0.897 1.00 0.00 C ATOM 341 O LEU A 25 -5.657 -8.270 0.738 1.00 0.00 O ATOM 342 CB LEU A 25 -5.814 -5.533 -1.087 1.00 0.00 C ATOM 343 CG LEU A 25 -6.662 -4.869 -2.172 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.853 -3.815 -2.911 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.196 -5.912 -3.143 1.00 0.00 C ATOM 0 H LEU A 25 -6.725 -4.191 0.810 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.396 -6.764 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.124 -4.790 -0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.210 -6.312 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.510 -4.378 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.473 -3.353 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.520 -3.053 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.986 -4.283 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.797 -5.422 -3.909 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.362 -6.431 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.812 -6.631 -2.603 1.00 0.00 H new ATOM 357 N LEU A 26 -4.869 -6.434 1.773 1.00 0.00 N ATOM 358 CA LEU A 26 -3.939 -7.176 2.617 1.00 0.00 C ATOM 359 C LEU A 26 -4.666 -8.257 3.411 1.00 0.00 C ATOM 360 O LEU A 26 -4.187 -9.384 3.527 1.00 0.00 O ATOM 361 CB LEU A 26 -3.216 -6.225 3.572 1.00 0.00 C ATOM 362 CG LEU A 26 -2.675 -6.849 4.859 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.573 -7.849 4.545 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.164 -5.769 5.802 1.00 0.00 C ATOM 0 H LEU A 26 -4.856 -5.424 1.917 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.206 -7.658 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.384 -5.767 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.902 -5.422 3.842 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.489 -7.379 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.200 -8.283 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.970 -8.640 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.758 -7.342 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.783 -6.232 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.364 -5.211 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.979 -5.090 6.054 1.00 0.00 H new ATOM 376 N ALA A 27 -5.827 -7.904 3.954 1.00 0.00 N ATOM 377 CA ALA A 27 -6.623 -8.844 4.733 1.00 0.00 C ATOM 378 C ALA A 27 -7.068 -10.026 3.879 1.00 0.00 C ATOM 379 O ALA A 27 -7.181 -11.150 4.368 1.00 0.00 O ATOM 380 CB ALA A 27 -7.830 -8.141 5.335 1.00 0.00 C ATOM 0 H ALA A 27 -6.237 -6.974 3.868 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.000 -9.228 5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.416 -8.855 5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.494 -7.334 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.447 -7.729 4.536 1.00 0.00 H new ATOM 386 N ALA A 28 -7.320 -9.765 2.601 1.00 0.00 N ATOM 387 CA ALA A 28 -7.752 -10.808 1.678 1.00 0.00 C ATOM 388 C ALA A 28 -6.556 -11.523 1.059 1.00 0.00 C ATOM 389 O ALA A 28 -6.707 -12.316 0.132 1.00 0.00 O ATOM 390 CB ALA A 28 -8.637 -10.217 0.591 1.00 0.00 C ATOM 0 H ALA A 28 -7.233 -8.840 2.181 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.329 -11.542 2.241 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.952 -11.007 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.515 -9.759 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.079 -9.462 0.038 1.00 0.00 H new ATOM 396 N GLY A 29 -5.366 -11.236 1.580 1.00 0.00 N ATOM 397 CA GLY A 29 -4.161 -11.859 1.065 1.00 0.00 C ATOM 398 C GLY A 29 -3.781 -11.340 -0.308 1.00 0.00 C ATOM 399 O GLY A 29 -2.884 -11.879 -0.957 1.00 0.00 O ATOM 0 H GLY A 29 -5.216 -10.583 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.339 -11.680 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.307 -12.938 1.015 1.00 0.00 H new ATOM 403 N LYS A 30 -4.465 -10.292 -0.753 1.00 0.00 N ATOM 404 CA LYS A 30 -4.195 -9.699 -2.057 1.00 0.00 C ATOM 405 C LYS A 30 -2.997 -8.757 -1.990 1.00 0.00 C ATOM 406 O LYS A 30 -3.021 -7.665 -2.558 1.00 0.00 O ATOM 407 CB LYS A 30 -5.426 -8.940 -2.560 1.00 0.00 C ATOM 408 CG LYS A 30 -6.604 -9.841 -2.888 1.00 0.00 C ATOM 409 CD LYS A 30 -6.396 -10.576 -4.201 1.00 0.00 C ATOM 410 CE LYS A 30 -7.721 -10.956 -4.843 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.574 -12.101 -5.784 1.00 0.00 N ATOM 0 H LYS A 30 -5.211 -9.835 -0.229 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.962 -10.505 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.732 -8.218 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.154 -8.373 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.745 -10.563 -2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.515 -9.245 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.826 -9.947 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.804 -11.475 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.440 -11.215 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.125 -10.096 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.499 -12.329 -6.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.907 -11.845 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.213 -12.929 -5.269 1.00 0.00 H new ATOM 425 N TYR A 31 -1.951 -9.188 -1.294 1.00 0.00 N ATOM 426 CA TYR A 31 -0.744 -8.383 -1.152 1.00 0.00 C ATOM 427 C TYR A 31 -0.426 -7.644 -2.448 1.00 0.00 C ATOM 428 O TYR A 31 -0.485 -6.416 -2.505 1.00 0.00 O ATOM 429 CB TYR A 31 0.440 -9.266 -0.753 1.00 0.00 C ATOM 430 CG TYR A 31 0.211 -10.042 0.525 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.377 -9.440 1.766 1.00 0.00 C ATOM 432 CD2 TYR A 31 -0.168 -11.378 0.490 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.170 -10.146 2.935 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.378 -12.092 1.654 1.00 0.00 C ATOM 435 CZ TYR A 31 -0.208 -11.471 2.874 1.00 0.00 C ATOM 436 OH TYR A 31 -0.415 -12.178 4.036 1.00 0.00 O ATOM 0 H TYR A 31 -1.915 -10.090 -0.819 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.920 -7.646 -0.368 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.649 -9.967 -1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.325 -8.641 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.673 -8.403 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.301 -11.867 -0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.303 -9.663 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.673 -13.130 1.609 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.677 -13.097 3.818 1.00 0.00 H new ATOM 446 N GLU A 32 -0.091 -8.402 -3.487 1.00 0.00 N ATOM 447 CA GLU A 32 0.236 -7.819 -4.784 1.00 0.00 C ATOM 448 C GLU A 32 -0.623 -6.589 -5.059 1.00 0.00 C ATOM 449 O GLU A 32 -0.105 -5.491 -5.263 1.00 0.00 O ATOM 450 CB GLU A 32 0.040 -8.852 -5.896 1.00 0.00 C ATOM 451 CG GLU A 32 0.592 -8.410 -7.241 1.00 0.00 C ATOM 452 CD GLU A 32 -0.365 -7.508 -7.996 1.00 0.00 C ATOM 453 OE1 GLU A 32 -1.582 -7.783 -7.975 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.105 -6.527 -8.610 1.00 0.00 O ATOM 0 H GLU A 32 -0.039 -9.420 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 32 1.282 -7.513 -4.763 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.523 -9.785 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.024 -9.063 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.535 -7.886 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.811 -9.289 -7.847 1.00 0.00 H new ATOM 461 N GLU A 33 -1.938 -6.782 -5.064 1.00 0.00 N ATOM 462 CA GLU A 33 -2.869 -5.688 -5.316 1.00 0.00 C ATOM 463 C GLU A 33 -2.531 -4.476 -4.453 1.00 0.00 C ATOM 464 O GLU A 33 -2.539 -3.341 -4.929 1.00 0.00 O ATOM 465 CB GLU A 33 -4.306 -6.138 -5.042 1.00 0.00 C ATOM 466 CG GLU A 33 -4.769 -7.274 -5.938 1.00 0.00 C ATOM 467 CD GLU A 33 -6.268 -7.260 -6.170 1.00 0.00 C ATOM 468 OE1 GLU A 33 -6.773 -6.263 -6.727 1.00 0.00 O ATOM 469 OE2 GLU A 33 -6.935 -8.247 -5.794 1.00 0.00 O ATOM 0 H GLU A 33 -2.383 -7.685 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.779 -5.403 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.388 -6.451 -4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.975 -5.288 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.256 -7.207 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.483 -8.225 -5.489 1.00 0.00 H new ATOM 476 N ALA A 34 -2.234 -4.726 -3.182 1.00 0.00 N ATOM 477 CA ALA A 34 -1.891 -3.656 -2.253 1.00 0.00 C ATOM 478 C ALA A 34 -0.563 -3.007 -2.628 1.00 0.00 C ATOM 479 O ALA A 34 -0.458 -1.782 -2.696 1.00 0.00 O ATOM 480 CB ALA A 34 -1.836 -4.191 -0.830 1.00 0.00 C ATOM 0 H ALA A 34 -2.224 -5.660 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.667 -2.893 -2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.579 -3.382 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.809 -4.601 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.081 -4.975 -0.765 1.00 0.00 H new ATOM 486 N ILE A 35 0.447 -3.836 -2.870 1.00 0.00 N ATOM 487 CA ILE A 35 1.768 -3.342 -3.239 1.00 0.00 C ATOM 488 C ILE A 35 1.665 -2.137 -4.168 1.00 0.00 C ATOM 489 O ILE A 35 2.188 -1.064 -3.870 1.00 0.00 O ATOM 490 CB ILE A 35 2.607 -4.436 -3.926 1.00 0.00 C ATOM 491 CG1 ILE A 35 2.787 -5.633 -2.991 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.958 -3.879 -4.349 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.522 -6.792 -3.628 1.00 0.00 C ATOM 0 H ILE A 35 0.376 -4.852 -2.817 1.00 0.00 H new ATOM 0 HA ILE A 35 2.262 -3.044 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 35 2.079 -4.772 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.332 -5.312 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.807 -5.974 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.540 -4.664 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.809 -3.055 -5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.494 -3.519 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.613 -7.605 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.967 -7.140 -4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.516 -6.467 -3.936 1.00 0.00 H new ATOM 505 N SER A 36 0.985 -2.323 -5.295 1.00 0.00 N ATOM 506 CA SER A 36 0.814 -1.252 -6.270 1.00 0.00 C ATOM 507 C SER A 36 0.120 -0.049 -5.639 1.00 0.00 C ATOM 508 O SER A 36 0.610 1.078 -5.720 1.00 0.00 O ATOM 509 CB SER A 36 0.006 -1.750 -7.470 1.00 0.00 C ATOM 510 OG SER A 36 0.359 -1.048 -8.649 1.00 0.00 O ATOM 0 H SER A 36 0.544 -3.205 -5.555 1.00 0.00 H new ATOM 0 HA SER A 36 1.802 -0.942 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.180 -2.817 -7.612 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.059 -1.624 -7.273 1.00 0.00 H new ATOM 0 HG SER A 36 -0.170 -1.386 -9.402 1.00 0.00 H new ATOM 516 N CYS A 37 -1.025 -0.296 -5.012 1.00 0.00 N ATOM 517 CA CYS A 37 -1.789 0.766 -4.367 1.00 0.00 C ATOM 518 C CYS A 37 -0.859 1.803 -3.744 1.00 0.00 C ATOM 519 O CYS A 37 -1.063 3.007 -3.899 1.00 0.00 O ATOM 520 CB CYS A 37 -2.711 0.182 -3.296 1.00 0.00 C ATOM 521 SG CYS A 37 -3.876 -1.053 -3.920 1.00 0.00 S ATOM 0 H CYS A 37 -1.445 -1.223 -4.937 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.395 1.258 -5.128 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.101 -0.271 -2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.272 0.994 -2.832 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.223 -2.105 -4.314 1.00 0.00 H new ATOM 527 N HIS A 38 0.161 1.327 -3.037 1.00 0.00 N ATOM 528 CA HIS A 38 1.121 2.212 -2.389 1.00 0.00 C ATOM 529 C HIS A 38 2.010 2.899 -3.422 1.00 0.00 C ATOM 530 O HIS A 38 2.328 4.081 -3.293 1.00 0.00 O ATOM 531 CB HIS A 38 1.983 1.428 -1.398 1.00 0.00 C ATOM 532 CG HIS A 38 1.241 0.997 -0.170 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.398 1.832 0.532 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.219 -0.190 0.479 1.00 0.00 C ATOM 535 CE1 HIS A 38 -0.109 1.178 1.561 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.373 -0.052 1.551 1.00 0.00 N ATOM 0 H HIS A 38 0.344 0.333 -2.899 1.00 0.00 H new ATOM 0 HA HIS A 38 0.564 2.977 -1.848 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.386 0.547 -1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.833 2.043 -1.102 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.197 2.803 0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.765 -1.080 0.205 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.800 1.580 2.287 1.00 0.00 H new ATOM 545 N ARG A 39 2.407 2.150 -4.445 1.00 0.00 N ATOM 546 CA ARG A 39 3.261 2.686 -5.498 1.00 0.00 C ATOM 547 C ARG A 39 2.641 3.936 -6.116 1.00 0.00 C ATOM 548 O ARG A 39 3.338 4.909 -6.406 1.00 0.00 O ATOM 549 CB ARG A 39 3.494 1.631 -6.581 1.00 0.00 C ATOM 550 CG ARG A 39 4.543 0.597 -6.208 1.00 0.00 C ATOM 551 CD ARG A 39 5.196 -0.005 -7.443 1.00 0.00 C ATOM 552 NE ARG A 39 5.978 0.981 -8.184 1.00 0.00 N ATOM 553 CZ ARG A 39 6.373 0.812 -9.441 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.060 -0.299 -10.093 1.00 0.00 N ATOM 555 NH2 ARG A 39 7.081 1.755 -10.048 1.00 0.00 N ATOM 0 H ARG A 39 2.151 1.170 -4.567 1.00 0.00 H new ATOM 0 HA ARG A 39 4.218 2.957 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.553 1.122 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.798 2.129 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.305 1.060 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.082 -0.194 -5.617 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.842 -0.831 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.427 -0.421 -8.094 1.00 0.00 H new ATOM 0 HE ARG A 39 6.235 1.847 -7.710 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.515 -1.026 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.364 -0.427 -11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.323 2.611 -9.550 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.384 1.624 -11.013 1.00 0.00 H new ATOM 569 N LYS A 40 1.328 3.903 -6.315 1.00 0.00 N ATOM 570 CA LYS A 40 0.613 5.033 -6.898 1.00 0.00 C ATOM 571 C LYS A 40 0.606 6.222 -5.943 1.00 0.00 C ATOM 572 O LYS A 40 1.141 7.285 -6.257 1.00 0.00 O ATOM 573 CB LYS A 40 -0.823 4.632 -7.240 1.00 0.00 C ATOM 574 CG LYS A 40 -0.943 3.851 -8.538 1.00 0.00 C ATOM 575 CD LYS A 40 -0.807 2.356 -8.304 1.00 0.00 C ATOM 576 CE LYS A 40 -1.522 1.555 -9.381 1.00 0.00 C ATOM 577 NZ LYS A 40 -0.674 1.372 -10.591 1.00 0.00 N ATOM 0 H LYS A 40 0.737 3.106 -6.081 1.00 0.00 H new ATOM 0 HA LYS A 40 1.129 5.326 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.228 4.031 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.436 5.531 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.906 4.061 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.174 4.182 -9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.248 2.084 -8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.217 2.101 -7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.802 0.580 -8.983 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.446 2.063 -9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.197 0.821 -11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.428 2.302 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.196 0.865 -10.332 1.00 0.00 H new ATOM 591 N ALA A 41 -0.002 6.036 -4.776 1.00 0.00 N ATOM 592 CA ALA A 41 -0.075 7.092 -3.775 1.00 0.00 C ATOM 593 C ALA A 41 1.269 7.795 -3.619 1.00 0.00 C ATOM 594 O ALA A 41 1.352 9.022 -3.677 1.00 0.00 O ATOM 595 CB ALA A 41 -0.534 6.524 -2.441 1.00 0.00 C ATOM 0 H ALA A 41 -0.451 5.163 -4.501 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.803 7.829 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.584 7.324 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.520 6.075 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.173 5.765 -2.106 1.00 0.00 H new ATOM 601 N THR A 42 2.323 7.009 -3.419 1.00 0.00 N ATOM 602 CA THR A 42 3.664 7.555 -3.252 1.00 0.00 C ATOM 603 C THR A 42 4.050 8.435 -4.436 1.00 0.00 C ATOM 604 O THR A 42 4.426 9.596 -4.264 1.00 0.00 O ATOM 605 CB THR A 42 4.711 6.436 -3.096 1.00 0.00 C ATOM 606 OG1 THR A 42 4.584 5.493 -4.166 1.00 0.00 O ATOM 607 CG2 THR A 42 4.546 5.723 -1.763 1.00 0.00 C ATOM 0 H THR A 42 2.273 5.991 -3.369 1.00 0.00 H new ATOM 0 HA THR A 42 3.649 8.158 -2.344 1.00 0.00 H new ATOM 0 HB THR A 42 5.702 6.889 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.865 4.859 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.296 4.937 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.673 6.438 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.551 5.282 -1.707 1.00 0.00 H new ATOM 615 N THR A 43 3.954 7.878 -5.639 1.00 0.00 N ATOM 616 CA THR A 43 4.293 8.612 -6.851 1.00 0.00 C ATOM 617 C THR A 43 3.592 9.965 -6.889 1.00 0.00 C ATOM 618 O THR A 43 4.193 10.977 -7.250 1.00 0.00 O ATOM 619 CB THR A 43 3.916 7.815 -8.114 1.00 0.00 C ATOM 620 OG1 THR A 43 4.611 6.563 -8.130 1.00 0.00 O ATOM 621 CG2 THR A 43 4.253 8.603 -9.371 1.00 0.00 C ATOM 0 H THR A 43 3.644 6.920 -5.800 1.00 0.00 H new ATOM 0 HA THR A 43 5.372 8.766 -6.836 1.00 0.00 H new ATOM 0 HB THR A 43 2.841 7.633 -8.094 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.105 5.901 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.978 8.020 -10.250 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.700 9.542 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.323 8.812 -9.394 1.00 0.00 H new ATOM 629 N TYR A 44 2.318 9.976 -6.514 1.00 0.00 N ATOM 630 CA TYR A 44 1.534 11.205 -6.507 1.00 0.00 C ATOM 631 C TYR A 44 2.039 12.168 -5.437 1.00 0.00 C ATOM 632 O TYR A 44 2.076 13.382 -5.644 1.00 0.00 O ATOM 633 CB TYR A 44 0.056 10.891 -6.269 1.00 0.00 C ATOM 634 CG TYR A 44 -0.802 12.122 -6.078 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.659 13.227 -6.908 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.753 12.180 -5.067 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.440 14.354 -6.736 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.539 13.302 -4.889 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.379 14.386 -5.726 1.00 0.00 C ATOM 640 OH TYR A 44 -3.159 15.506 -5.551 1.00 0.00 O ATOM 0 H TYR A 44 1.806 9.147 -6.211 1.00 0.00 H new ATOM 0 HA TYR A 44 1.645 11.682 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.326 10.320 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.034 10.255 -5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.074 13.205 -7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.880 11.333 -4.409 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.316 15.205 -7.389 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.275 13.330 -4.099 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.976 15.423 -6.086 1.00 0.00 H new ATOM 650 N LEU A 45 2.429 11.617 -4.293 1.00 0.00 N ATOM 651 CA LEU A 45 2.934 12.426 -3.188 1.00 0.00 C ATOM 652 C LEU A 45 4.235 13.123 -3.574 1.00 0.00 C ATOM 653 O LEU A 45 4.362 14.340 -3.438 1.00 0.00 O ATOM 654 CB LEU A 45 3.158 11.552 -1.952 1.00 0.00 C ATOM 655 CG LEU A 45 1.902 11.147 -1.180 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.235 10.096 -0.133 1.00 0.00 C ATOM 657 CD2 LEU A 45 1.258 12.364 -0.532 1.00 0.00 C ATOM 0 H LEU A 45 2.406 10.615 -4.106 1.00 0.00 H new ATOM 0 HA LEU A 45 2.189 13.188 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.678 10.645 -2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.823 12.084 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 45 1.190 10.716 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.329 9.820 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.649 9.214 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.966 10.499 0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.366 12.056 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.964 12.825 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.982 13.084 -1.303 1.00 0.00 H new ATOM 669 N SER A 46 5.197 12.344 -4.058 1.00 0.00 N ATOM 670 CA SER A 46 6.489 12.887 -4.463 1.00 0.00 C ATOM 671 C SER A 46 6.310 14.024 -5.464 1.00 0.00 C ATOM 672 O SER A 46 7.078 14.986 -5.469 1.00 0.00 O ATOM 673 CB SER A 46 7.359 11.787 -5.073 1.00 0.00 C ATOM 674 OG SER A 46 8.097 11.107 -4.073 1.00 0.00 O ATOM 0 H SER A 46 5.107 11.335 -4.179 1.00 0.00 H new ATOM 0 HA SER A 46 6.984 13.282 -3.576 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.730 11.078 -5.611 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.043 12.222 -5.802 1.00 0.00 H new ATOM 0 HG SER A 46 8.644 10.408 -4.488 1.00 0.00 H new ATOM 680 N GLU A 47 5.292 13.905 -6.310 1.00 0.00 N ATOM 681 CA GLU A 47 5.013 14.923 -7.317 1.00 0.00 C ATOM 682 C GLU A 47 4.414 16.172 -6.676 1.00 0.00 C ATOM 683 O GLU A 47 4.743 17.295 -7.055 1.00 0.00 O ATOM 684 CB GLU A 47 4.059 14.373 -8.379 1.00 0.00 C ATOM 685 CG GLU A 47 4.767 13.696 -9.541 1.00 0.00 C ATOM 686 CD GLU A 47 5.540 14.675 -10.404 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.910 15.343 -11.251 1.00 0.00 O ATOM 688 OE2 GLU A 47 6.773 14.772 -10.233 1.00 0.00 O ATOM 0 H GLU A 47 4.647 13.115 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 47 5.955 15.196 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.381 13.659 -7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.447 15.189 -8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.451 12.940 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.032 13.177 -10.156 1.00 0.00 H new ATOM 695 N ALA A 48 3.532 15.966 -5.704 1.00 0.00 N ATOM 696 CA ALA A 48 2.887 17.073 -5.010 1.00 0.00 C ATOM 697 C ALA A 48 3.915 18.091 -4.527 1.00 0.00 C ATOM 698 O ALA A 48 3.855 19.266 -4.887 1.00 0.00 O ATOM 699 CB ALA A 48 2.064 16.556 -3.840 1.00 0.00 C ATOM 0 H ALA A 48 3.248 15.042 -5.379 1.00 0.00 H new ATOM 0 HA ALA A 48 2.222 17.572 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.588 17.394 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.298 15.873 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.715 16.030 -3.142 1.00 0.00 H new ATOM 705 N MET A 49 4.856 17.632 -3.708 1.00 0.00 N ATOM 706 CA MET A 49 5.898 18.503 -3.177 1.00 0.00 C ATOM 707 C MET A 49 6.671 19.178 -4.305 1.00 0.00 C ATOM 708 O MET A 49 7.132 20.311 -4.165 1.00 0.00 O ATOM 709 CB MET A 49 6.857 17.706 -2.291 1.00 0.00 C ATOM 710 CG MET A 49 7.445 16.484 -2.978 1.00 0.00 C ATOM 711 SD MET A 49 8.210 15.335 -1.818 1.00 0.00 S ATOM 712 CE MET A 49 6.924 15.201 -0.578 1.00 0.00 C ATOM 0 H MET A 49 4.918 16.662 -3.398 1.00 0.00 H new ATOM 0 HA MET A 49 5.418 19.276 -2.577 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.669 18.358 -1.970 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.329 17.388 -1.392 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.658 15.968 -3.529 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.188 16.805 -3.708 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.987 14.227 -0.093 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.053 15.987 0.167 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.949 15.308 -1.052 1.00 0.00 H new ATOM 722 N LYS A 50 6.810 18.475 -5.424 1.00 0.00 N ATOM 723 CA LYS A 50 7.526 19.005 -6.578 1.00 0.00 C ATOM 724 C LYS A 50 6.694 20.061 -7.297 1.00 0.00 C ATOM 725 O LYS A 50 7.098 20.584 -8.337 1.00 0.00 O ATOM 726 CB LYS A 50 7.883 17.875 -7.546 1.00 0.00 C ATOM 727 CG LYS A 50 8.948 16.932 -7.014 1.00 0.00 C ATOM 728 CD LYS A 50 9.165 15.753 -7.948 1.00 0.00 C ATOM 729 CE LYS A 50 10.543 15.138 -7.758 1.00 0.00 C ATOM 730 NZ LYS A 50 10.767 14.702 -6.352 1.00 0.00 N ATOM 0 H LYS A 50 6.436 17.535 -5.556 1.00 0.00 H new ATOM 0 HA LYS A 50 8.444 19.473 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.983 17.303 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.229 18.308 -8.485 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.885 17.474 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.654 16.568 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.400 14.998 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.051 16.080 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.654 14.283 -8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.306 15.864 -8.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.640 14.140 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.855 15.538 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.963 14.124 -6.036 1.00 0.00 H new ATOM 744 N LEU A 51 5.530 20.373 -6.737 1.00 0.00 N ATOM 745 CA LEU A 51 4.640 21.369 -7.324 1.00 0.00 C ATOM 746 C LEU A 51 4.443 22.549 -6.378 1.00 0.00 C ATOM 747 O LEU A 51 4.514 23.708 -6.789 1.00 0.00 O ATOM 748 CB LEU A 51 3.288 20.738 -7.660 1.00 0.00 C ATOM 749 CG LEU A 51 2.502 21.400 -8.793 1.00 0.00 C ATOM 750 CD1 LEU A 51 2.907 20.815 -10.136 1.00 0.00 C ATOM 751 CD2 LEU A 51 1.005 21.238 -8.568 1.00 0.00 C ATOM 0 H LEU A 51 5.180 19.950 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 51 5.101 21.736 -8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.452 19.693 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.671 20.749 -6.762 1.00 0.00 H new ATOM 0 HG LEU A 51 2.736 22.465 -8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.337 21.298 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.972 20.982 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.703 19.744 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.461 21.715 -9.383 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.755 20.178 -8.536 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.726 21.705 -7.624 1.00 0.00 H new ATOM 763 N THR A 52 4.197 22.247 -5.107 1.00 0.00 N ATOM 764 CA THR A 52 3.991 23.281 -4.101 1.00 0.00 C ATOM 765 C THR A 52 5.269 24.078 -3.863 1.00 0.00 C ATOM 766 O THR A 52 6.349 23.507 -3.717 1.00 0.00 O ATOM 767 CB THR A 52 3.518 22.680 -2.765 1.00 0.00 C ATOM 768 OG1 THR A 52 2.797 23.662 -2.013 1.00 0.00 O ATOM 769 CG2 THR A 52 4.700 22.177 -1.949 1.00 0.00 C ATOM 0 H THR A 52 4.136 21.294 -4.750 1.00 0.00 H new ATOM 0 HA THR A 52 3.217 23.946 -4.485 1.00 0.00 H new ATOM 0 HB THR A 52 2.862 21.837 -2.984 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.401 24.091 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.341 21.757 -1.009 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.230 21.408 -2.512 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.377 23.005 -1.741 1.00 0.00 H new ATOM 777 N GLU A 53 5.137 25.401 -3.824 1.00 0.00 N ATOM 778 CA GLU A 53 6.283 26.275 -3.603 1.00 0.00 C ATOM 779 C GLU A 53 6.384 26.679 -2.134 1.00 0.00 C ATOM 780 O GLU A 53 7.126 27.596 -1.781 1.00 0.00 O ATOM 781 CB GLU A 53 6.176 27.525 -4.480 1.00 0.00 C ATOM 782 CG GLU A 53 6.693 27.321 -5.894 1.00 0.00 C ATOM 783 CD GLU A 53 6.401 28.504 -6.797 1.00 0.00 C ATOM 784 OE1 GLU A 53 5.214 28.732 -7.111 1.00 0.00 O ATOM 785 OE2 GLU A 53 7.360 29.201 -7.190 1.00 0.00 O ATOM 0 H GLU A 53 4.250 25.890 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 53 7.184 25.725 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.133 27.839 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.733 28.336 -4.012 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.769 27.149 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.239 26.425 -6.317 1.00 0.00 H new ATOM 792 N SER A 54 5.633 25.987 -1.284 1.00 0.00 N ATOM 793 CA SER A 54 5.634 26.275 0.146 1.00 0.00 C ATOM 794 C SER A 54 6.470 25.250 0.906 1.00 0.00 C ATOM 795 O SER A 54 6.734 24.157 0.407 1.00 0.00 O ATOM 796 CB SER A 54 4.203 26.285 0.687 1.00 0.00 C ATOM 797 OG SER A 54 3.373 25.403 -0.050 1.00 0.00 O ATOM 0 H SER A 54 5.016 25.223 -1.560 1.00 0.00 H new ATOM 0 HA SER A 54 6.077 27.260 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.206 25.994 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.799 27.296 0.637 1.00 0.00 H new ATOM 0 HG SER A 54 2.464 25.426 0.316 1.00 0.00 H new ATOM 803 N GLU A 55 6.883 25.613 2.116 1.00 0.00 N ATOM 804 CA GLU A 55 7.690 24.725 2.945 1.00 0.00 C ATOM 805 C GLU A 55 6.808 23.730 3.695 1.00 0.00 C ATOM 806 O GLU A 55 6.845 22.530 3.428 1.00 0.00 O ATOM 807 CB GLU A 55 8.522 25.536 3.940 1.00 0.00 C ATOM 808 CG GLU A 55 9.367 24.680 4.868 1.00 0.00 C ATOM 809 CD GLU A 55 10.380 25.493 5.651 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.373 25.947 5.045 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.179 25.674 6.870 1.00 0.00 O ATOM 0 H GLU A 55 6.673 26.515 2.544 1.00 0.00 H new ATOM 0 HA GLU A 55 8.361 24.169 2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.175 26.212 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.854 26.156 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.715 24.152 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.889 23.923 4.283 1.00 0.00 H new ATOM 818 N GLN A 56 6.018 24.240 4.635 1.00 0.00 N ATOM 819 CA GLN A 56 5.129 23.396 5.424 1.00 0.00 C ATOM 820 C GLN A 56 4.457 22.344 4.548 1.00 0.00 C ATOM 821 O GLN A 56 4.579 21.145 4.797 1.00 0.00 O ATOM 822 CB GLN A 56 4.068 24.250 6.121 1.00 0.00 C ATOM 823 CG GLN A 56 3.572 23.655 7.429 1.00 0.00 C ATOM 824 CD GLN A 56 2.841 24.666 8.290 1.00 0.00 C ATOM 825 OE1 GLN A 56 2.129 25.533 7.781 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.013 24.561 9.602 1.00 0.00 N ATOM 0 H GLN A 56 5.976 25.232 4.868 1.00 0.00 H new ATOM 0 HA GLN A 56 5.728 22.885 6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.480 25.240 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.221 24.384 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.907 22.818 7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.419 23.254 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.612 23.827 9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.546 25.214 10.231 1.00 0.00 H new ATOM 835 N ALA A 57 3.748 22.801 3.521 1.00 0.00 N ATOM 836 CA ALA A 57 3.058 21.899 2.607 1.00 0.00 C ATOM 837 C ALA A 57 3.932 20.699 2.257 1.00 0.00 C ATOM 838 O ALA A 57 3.501 19.551 2.367 1.00 0.00 O ATOM 839 CB ALA A 57 2.645 22.641 1.345 1.00 0.00 C ATOM 0 H ALA A 57 3.636 23.791 3.301 1.00 0.00 H new ATOM 0 HA ALA A 57 2.162 21.529 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.131 21.955 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.977 23.461 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.531 23.039 0.850 1.00 0.00 H new ATOM 845 N HIS A 58 5.161 20.972 1.832 1.00 0.00 N ATOM 846 CA HIS A 58 6.096 19.915 1.465 1.00 0.00 C ATOM 847 C HIS A 58 6.310 18.951 2.629 1.00 0.00 C ATOM 848 O HIS A 58 6.425 17.740 2.432 1.00 0.00 O ATOM 849 CB HIS A 58 7.434 20.515 1.032 1.00 0.00 C ATOM 850 CG HIS A 58 8.507 19.492 0.816 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.986 18.680 1.822 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.194 19.152 -0.300 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.922 17.885 1.335 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.067 18.151 0.049 1.00 0.00 N ATOM 0 H HIS A 58 5.533 21.917 1.733 1.00 0.00 H new ATOM 0 HA HIS A 58 5.669 19.360 0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.289 21.078 0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.767 21.224 1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.077 19.587 -1.282 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.475 17.144 1.893 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.721 17.688 -0.582 1.00 0.00 H new ATOM 863 N LEU A 59 6.364 19.495 3.839 1.00 0.00 N ATOM 864 CA LEU A 59 6.566 18.684 5.035 1.00 0.00 C ATOM 865 C LEU A 59 5.454 17.650 5.185 1.00 0.00 C ATOM 866 O LEU A 59 5.716 16.452 5.282 1.00 0.00 O ATOM 867 CB LEU A 59 6.620 19.575 6.277 1.00 0.00 C ATOM 868 CG LEU A 59 7.580 20.764 6.208 1.00 0.00 C ATOM 869 CD1 LEU A 59 7.656 21.466 7.555 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.962 20.308 5.763 1.00 0.00 C ATOM 0 H LEU A 59 6.271 20.495 4.019 1.00 0.00 H new ATOM 0 HA LEU A 59 7.515 18.158 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.617 19.954 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.899 18.958 7.131 1.00 0.00 H new ATOM 0 HG LEU A 59 7.199 21.473 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.343 22.309 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.666 21.826 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.013 20.766 8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.632 21.167 5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.351 19.580 6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.894 19.851 4.776 1.00 0.00 H new ATOM 882 N SER A 60 4.212 18.123 5.201 1.00 0.00 N ATOM 883 CA SER A 60 3.060 17.240 5.341 1.00 0.00 C ATOM 884 C SER A 60 3.142 16.079 4.354 1.00 0.00 C ATOM 885 O SER A 60 2.518 15.036 4.551 1.00 0.00 O ATOM 886 CB SER A 60 1.763 18.021 5.121 1.00 0.00 C ATOM 887 OG SER A 60 1.561 18.975 6.149 1.00 0.00 O ATOM 0 H SER A 60 3.978 19.112 5.119 1.00 0.00 H new ATOM 0 HA SER A 60 3.065 16.835 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.798 18.525 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.920 17.331 5.091 1.00 0.00 H new ATOM 0 HG SER A 60 0.727 19.462 5.984 1.00 0.00 H new ATOM 893 N LEU A 61 3.915 16.269 3.291 1.00 0.00 N ATOM 894 CA LEU A 61 4.081 15.239 2.271 1.00 0.00 C ATOM 895 C LEU A 61 5.238 14.309 2.619 1.00 0.00 C ATOM 896 O LEU A 61 5.077 13.089 2.655 1.00 0.00 O ATOM 897 CB LEU A 61 4.321 15.881 0.904 1.00 0.00 C ATOM 898 CG LEU A 61 3.254 16.868 0.428 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.685 17.537 -0.867 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.918 16.163 0.248 1.00 0.00 C ATOM 0 H LEU A 61 4.437 17.127 3.112 1.00 0.00 H new ATOM 0 HA LEU A 61 3.165 14.650 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.280 16.399 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.409 15.087 0.163 1.00 0.00 H new ATOM 0 HG LEU A 61 3.135 17.640 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.913 18.236 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.618 18.077 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.833 16.779 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.171 16.881 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.022 15.370 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.603 15.733 1.199 1.00 0.00 H new ATOM 912 N GLU A 62 6.404 14.893 2.877 1.00 0.00 N ATOM 913 CA GLU A 62 7.587 14.116 3.224 1.00 0.00 C ATOM 914 C GLU A 62 7.306 13.195 4.408 1.00 0.00 C ATOM 915 O GLU A 62 7.974 12.177 4.590 1.00 0.00 O ATOM 916 CB GLU A 62 8.757 15.045 3.554 1.00 0.00 C ATOM 917 CG GLU A 62 8.773 15.515 4.999 1.00 0.00 C ATOM 918 CD GLU A 62 10.052 16.244 5.361 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.136 17.462 5.098 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.969 15.597 5.909 1.00 0.00 O ATOM 0 H GLU A 62 6.554 15.902 2.852 1.00 0.00 H new ATOM 0 HA GLU A 62 7.851 13.502 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.692 14.528 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.715 15.915 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.922 16.174 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.650 14.656 5.658 1.00 0.00 H new ATOM 927 N LEU A 63 6.313 13.561 5.211 1.00 0.00 N ATOM 928 CA LEU A 63 5.941 12.769 6.379 1.00 0.00 C ATOM 929 C LEU A 63 4.968 11.659 5.997 1.00 0.00 C ATOM 930 O LEU A 63 5.162 10.499 6.359 1.00 0.00 O ATOM 931 CB LEU A 63 5.316 13.665 7.449 1.00 0.00 C ATOM 932 CG LEU A 63 6.283 14.568 8.217 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.516 15.573 9.064 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.214 13.736 9.086 1.00 0.00 C ATOM 0 H LEU A 63 5.751 14.401 5.075 1.00 0.00 H new ATOM 0 HA LEU A 63 6.845 12.311 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.563 14.294 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.795 13.031 8.166 1.00 0.00 H new ATOM 0 HG LEU A 63 6.887 15.118 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.220 16.207 9.603 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.892 16.191 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.886 15.042 9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.895 14.395 9.625 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.626 13.159 9.800 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.789 13.057 8.457 1.00 0.00 H new ATOM 946 N GLN A 64 3.922 12.023 5.262 1.00 0.00 N ATOM 947 CA GLN A 64 2.919 11.057 4.830 1.00 0.00 C ATOM 948 C GLN A 64 3.544 9.981 3.947 1.00 0.00 C ATOM 949 O GLN A 64 3.128 8.823 3.975 1.00 0.00 O ATOM 950 CB GLN A 64 1.793 11.763 4.074 1.00 0.00 C ATOM 951 CG GLN A 64 0.450 11.058 4.184 1.00 0.00 C ATOM 952 CD GLN A 64 -0.070 11.014 5.607 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.351 10.180 6.409 1.00 0.00 O ATOM 954 NE2 GLN A 64 -0.992 11.914 5.928 1.00 0.00 N ATOM 0 H GLN A 64 3.747 12.979 4.953 1.00 0.00 H new ATOM 0 HA GLN A 64 2.506 10.578 5.718 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.693 12.779 4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.067 11.842 3.022 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.277 11.568 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.546 10.041 3.804 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.312 12.587 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.380 11.932 6.871 1.00 0.00 H new ATOM 963 N ARG A 65 4.544 10.373 3.165 1.00 0.00 N ATOM 964 CA ARG A 65 5.226 9.443 2.272 1.00 0.00 C ATOM 965 C ARG A 65 5.901 8.326 3.064 1.00 0.00 C ATOM 966 O ARG A 65 5.758 7.147 2.740 1.00 0.00 O ATOM 967 CB ARG A 65 6.263 10.182 1.426 1.00 0.00 C ATOM 968 CG ARG A 65 6.815 9.353 0.278 1.00 0.00 C ATOM 969 CD ARG A 65 7.571 10.216 -0.720 1.00 0.00 C ATOM 970 NE ARG A 65 8.903 10.572 -0.237 1.00 0.00 N ATOM 971 CZ ARG A 65 9.876 9.687 -0.046 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.667 8.402 -0.297 1.00 0.00 N ATOM 973 NH2 ARG A 65 11.061 10.088 0.395 1.00 0.00 N ATOM 0 H ARG A 65 4.900 11.328 3.131 1.00 0.00 H new ATOM 0 HA ARG A 65 4.481 8.999 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.812 11.089 1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.087 10.493 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.479 8.583 0.671 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.997 8.841 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.659 9.683 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.002 11.125 -0.918 1.00 0.00 H new ATOM 0 HE ARG A 65 9.097 11.553 -0.035 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.758 8.090 -0.638 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.416 7.725 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.226 11.076 0.588 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.807 9.408 0.541 1.00 0.00 H new ATOM 987 N ASP A 66 6.638 8.707 4.102 1.00 0.00 N ATOM 988 CA ASP A 66 7.336 7.738 4.940 1.00 0.00 C ATOM 989 C ASP A 66 6.529 6.450 5.068 1.00 0.00 C ATOM 990 O ASP A 66 6.948 5.394 4.594 1.00 0.00 O ATOM 991 CB ASP A 66 7.601 8.329 6.325 1.00 0.00 C ATOM 992 CG ASP A 66 8.225 7.323 7.273 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.223 6.682 6.884 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.714 7.177 8.404 1.00 0.00 O ATOM 0 H ASP A 66 6.768 9.679 4.383 1.00 0.00 H new ATOM 0 HA ASP A 66 8.289 7.502 4.466 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.261 9.191 6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.664 8.690 6.748 1.00 0.00 H new ATOM 999 N SER A 67 5.371 6.545 5.712 1.00 0.00 N ATOM 1000 CA SER A 67 4.507 5.386 5.908 1.00 0.00 C ATOM 1001 C SER A 67 4.171 4.728 4.573 1.00 0.00 C ATOM 1002 O SER A 67 4.435 3.543 4.367 1.00 0.00 O ATOM 1003 CB SER A 67 3.220 5.797 6.625 1.00 0.00 C ATOM 1004 OG SER A 67 2.457 6.689 5.832 1.00 0.00 O ATOM 0 H SER A 67 5.009 7.413 6.107 1.00 0.00 H new ATOM 0 HA SER A 67 5.043 4.665 6.525 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.628 4.911 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.465 6.270 7.576 1.00 0.00 H new ATOM 0 HG SER A 67 1.639 6.935 6.312 1.00 0.00 H new ATOM 1010 N HIS A 68 3.586 5.506 3.668 1.00 0.00 N ATOM 1011 CA HIS A 68 3.213 5.001 2.351 1.00 0.00 C ATOM 1012 C HIS A 68 4.260 4.023 1.828 1.00 0.00 C ATOM 1013 O HIS A 68 3.949 3.126 1.045 1.00 0.00 O ATOM 1014 CB HIS A 68 3.042 6.158 1.367 1.00 0.00 C ATOM 1015 CG HIS A 68 1.653 6.717 1.334 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.554 5.978 0.947 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.186 7.949 1.643 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.528 6.733 1.019 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.172 7.933 1.439 1.00 0.00 N ATOM 0 H HIS A 68 3.360 6.489 3.822 1.00 0.00 H new ATOM 0 HA HIS A 68 2.264 4.473 2.447 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.739 6.954 1.630 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.311 5.817 0.367 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.772 8.789 1.986 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.533 6.421 0.776 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.803 8.720 1.588 1.00 0.00 H new ATOM 1028 N MET A 69 5.502 4.203 2.266 1.00 0.00 N ATOM 1029 CA MET A 69 6.595 3.336 1.841 1.00 0.00 C ATOM 1030 C MET A 69 6.853 2.242 2.873 1.00 0.00 C ATOM 1031 O MET A 69 7.089 1.086 2.521 1.00 0.00 O ATOM 1032 CB MET A 69 7.868 4.155 1.620 1.00 0.00 C ATOM 1033 CG MET A 69 7.937 4.812 0.251 1.00 0.00 C ATOM 1034 SD MET A 69 7.793 3.624 -1.098 1.00 0.00 S ATOM 1035 CE MET A 69 9.164 2.531 -0.734 1.00 0.00 C ATOM 0 H MET A 69 5.776 4.941 2.915 1.00 0.00 H new ATOM 0 HA MET A 69 6.308 2.865 0.901 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.932 4.926 2.388 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.735 3.506 1.747 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.140 5.550 0.166 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.881 5.349 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.353 1.886 -1.592 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.055 3.123 -0.522 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.920 1.918 0.134 1.00 0.00 H new ATOM 1045 N LYS A 70 6.806 2.614 4.147 1.00 0.00 N ATOM 1046 CA LYS A 70 7.034 1.665 5.231 1.00 0.00 C ATOM 1047 C LYS A 70 6.142 0.438 5.075 1.00 0.00 C ATOM 1048 O LYS A 70 6.557 -0.683 5.369 1.00 0.00 O ATOM 1049 CB LYS A 70 6.771 2.332 6.583 1.00 0.00 C ATOM 1050 CG LYS A 70 5.338 2.187 7.065 1.00 0.00 C ATOM 1051 CD LYS A 70 5.158 2.760 8.461 1.00 0.00 C ATOM 1052 CE LYS A 70 5.730 1.833 9.522 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.084 2.042 10.848 1.00 0.00 N ATOM 0 H LYS A 70 6.612 3.567 4.455 1.00 0.00 H new ATOM 0 HA LYS A 70 8.075 1.344 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.441 1.902 7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.015 3.392 6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.667 2.696 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.058 1.134 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.648 3.732 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.098 2.925 8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.594 0.797 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.803 2.001 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.501 1.392 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.235 3.023 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.064 1.857 10.770 1.00 0.00 H new ATOM 1067 N GLN A 71 4.916 0.658 4.610 1.00 0.00 N ATOM 1068 CA GLN A 71 3.967 -0.432 4.415 1.00 0.00 C ATOM 1069 C GLN A 71 4.297 -1.222 3.154 1.00 0.00 C ATOM 1070 O GLN A 71 4.121 -2.441 3.108 1.00 0.00 O ATOM 1071 CB GLN A 71 2.541 0.115 4.331 1.00 0.00 C ATOM 1072 CG GLN A 71 1.901 0.360 5.688 1.00 0.00 C ATOM 1073 CD GLN A 71 2.120 -0.789 6.652 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.787 -1.936 6.354 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.683 -0.486 7.816 1.00 0.00 N ATOM 0 H GLN A 71 4.557 1.580 4.362 1.00 0.00 H new ATOM 0 HA GLN A 71 4.041 -1.103 5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.552 1.049 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.924 -0.587 3.769 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.310 1.274 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.831 0.521 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.943 0.479 8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.855 -1.218 8.505 1.00 0.00 H new ATOM 1084 N LEU A 72 4.775 -0.522 2.131 1.00 0.00 N ATOM 1085 CA LEU A 72 5.129 -1.158 0.867 1.00 0.00 C ATOM 1086 C LEU A 72 6.199 -2.225 1.076 1.00 0.00 C ATOM 1087 O LEU A 72 6.063 -3.356 0.606 1.00 0.00 O ATOM 1088 CB LEU A 72 5.626 -0.111 -0.132 1.00 0.00 C ATOM 1089 CG LEU A 72 6.164 -0.651 -1.457 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.215 -1.688 -2.037 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.383 0.485 -2.446 1.00 0.00 C ATOM 0 H LEU A 72 4.926 0.486 2.152 1.00 0.00 H new ATOM 0 HA LEU A 72 4.236 -1.638 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.806 0.574 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.413 0.473 0.346 1.00 0.00 H new ATOM 0 HG LEU A 72 7.123 -1.133 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.615 -2.060 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.108 -2.516 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.240 -1.232 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.766 0.082 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.437 0.995 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.103 1.192 -2.034 1.00 0.00 H new ATOM 1103 N LEU A 73 7.261 -1.860 1.785 1.00 0.00 N ATOM 1104 CA LEU A 73 8.353 -2.787 2.059 1.00 0.00 C ATOM 1105 C LEU A 73 7.886 -3.932 2.953 1.00 0.00 C ATOM 1106 O LEU A 73 8.315 -5.075 2.792 1.00 0.00 O ATOM 1107 CB LEU A 73 9.519 -2.051 2.722 1.00 0.00 C ATOM 1108 CG LEU A 73 9.838 -0.662 2.168 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.018 -0.050 2.907 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.121 -0.736 0.674 1.00 0.00 C ATOM 0 H LEU A 73 7.389 -0.929 2.181 1.00 0.00 H new ATOM 0 HA LEU A 73 8.687 -3.205 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.304 -1.955 3.786 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.412 -2.670 2.632 1.00 0.00 H new ATOM 0 HG LEU A 73 8.969 -0.022 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.230 0.938 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.777 0.039 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.893 -0.688 2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.346 0.261 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.974 -1.392 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.246 -1.131 0.157 1.00 0.00 H new ATOM 1122 N LEU A 74 7.002 -3.617 3.894 1.00 0.00 N ATOM 1123 CA LEU A 74 6.473 -4.619 4.813 1.00 0.00 C ATOM 1124 C LEU A 74 5.607 -5.633 4.072 1.00 0.00 C ATOM 1125 O LEU A 74 5.743 -6.841 4.269 1.00 0.00 O ATOM 1126 CB LEU A 74 5.659 -3.946 5.919 1.00 0.00 C ATOM 1127 CG LEU A 74 6.436 -3.535 7.169 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.524 -2.820 8.154 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.080 -4.750 7.821 1.00 0.00 C ATOM 0 H LEU A 74 6.637 -2.676 4.040 1.00 0.00 H new ATOM 0 HA LEU A 74 7.315 -5.147 5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.183 -3.058 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.860 -4.625 6.219 1.00 0.00 H new ATOM 0 HG LEU A 74 7.226 -2.846 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.095 -2.535 9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.111 -1.927 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.711 -3.485 8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.629 -4.438 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.306 -5.464 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.767 -5.220 7.117 1.00 0.00 H new ATOM 1141 N ILE A 75 4.718 -5.134 3.220 1.00 0.00 N ATOM 1142 CA ILE A 75 3.832 -5.997 2.449 1.00 0.00 C ATOM 1143 C ILE A 75 4.624 -6.880 1.490 1.00 0.00 C ATOM 1144 O ILE A 75 4.429 -8.095 1.446 1.00 0.00 O ATOM 1145 CB ILE A 75 2.807 -5.176 1.645 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.876 -4.415 2.591 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.007 -6.084 0.723 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.025 -3.376 1.895 1.00 0.00 C ATOM 0 H ILE A 75 4.592 -4.137 3.046 1.00 0.00 H new ATOM 0 HA ILE A 75 3.301 -6.625 3.164 1.00 0.00 H new ATOM 0 HB ILE A 75 3.344 -4.451 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.224 -5.127 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.473 -3.927 3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.287 -5.489 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.683 -6.585 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.478 -6.830 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.390 -2.876 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.670 -2.642 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.401 -3.860 1.144 1.00 0.00 H new ATOM 1160 N GLN A 76 5.517 -6.262 0.725 1.00 0.00 N ATOM 1161 CA GLN A 76 6.339 -6.993 -0.232 1.00 0.00 C ATOM 1162 C GLN A 76 6.980 -8.213 0.420 1.00 0.00 C ATOM 1163 O GLN A 76 6.750 -9.346 -0.002 1.00 0.00 O ATOM 1164 CB GLN A 76 7.423 -6.079 -0.808 1.00 0.00 C ATOM 1165 CG GLN A 76 6.953 -5.246 -1.989 1.00 0.00 C ATOM 1166 CD GLN A 76 8.102 -4.699 -2.812 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.368 -5.169 -3.919 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.793 -3.700 -2.275 1.00 0.00 N ATOM 0 H GLN A 76 5.690 -5.257 0.749 1.00 0.00 H new ATOM 0 HA GLN A 76 5.693 -7.334 -1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.779 -5.412 -0.023 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.272 -6.688 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.313 -5.856 -2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.345 -4.418 -1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.539 -3.341 -1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.578 -3.292 -2.783 1.00 0.00 H new ATOM 1177 N GLU A 77 7.783 -7.974 1.452 1.00 0.00 N ATOM 1178 CA GLU A 77 8.457 -9.054 2.161 1.00 0.00 C ATOM 1179 C GLU A 77 7.449 -10.074 2.683 1.00 0.00 C ATOM 1180 O GLU A 77 7.687 -11.281 2.629 1.00 0.00 O ATOM 1181 CB GLU A 77 9.282 -8.496 3.322 1.00 0.00 C ATOM 1182 CG GLU A 77 8.438 -7.933 4.453 1.00 0.00 C ATOM 1183 CD GLU A 77 9.259 -7.598 5.683 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.906 -6.530 5.692 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.253 -8.404 6.637 1.00 0.00 O ATOM 0 H GLU A 77 7.982 -7.042 1.815 1.00 0.00 H new ATOM 0 HA GLU A 77 9.124 -9.554 1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.921 -9.287 3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.940 -7.712 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.926 -7.035 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.668 -8.656 4.721 1.00 0.00 H new ATOM 1192 N ARG A 78 6.324 -9.580 3.189 1.00 0.00 N ATOM 1193 CA ARG A 78 5.281 -10.447 3.723 1.00 0.00 C ATOM 1194 C ARG A 78 4.677 -11.313 2.620 1.00 0.00 C ATOM 1195 O ARG A 78 3.937 -12.257 2.895 1.00 0.00 O ATOM 1196 CB ARG A 78 4.185 -9.612 4.389 1.00 0.00 C ATOM 1197 CG ARG A 78 4.597 -9.026 5.729 1.00 0.00 C ATOM 1198 CD ARG A 78 4.669 -10.097 6.807 1.00 0.00 C ATOM 1199 NE ARG A 78 3.344 -10.570 7.198 1.00 0.00 N ATOM 1200 CZ ARG A 78 3.135 -11.695 7.873 1.00 0.00 C ATOM 1201 NH1 ARG A 78 4.159 -12.458 8.230 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.899 -12.058 8.194 1.00 0.00 N ATOM 0 H ARG A 78 6.112 -8.584 3.240 1.00 0.00 H new ATOM 0 HA ARG A 78 5.733 -11.101 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.900 -8.801 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.301 -10.234 4.530 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.568 -8.540 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.884 -8.257 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.261 -10.937 6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.184 -9.698 7.681 1.00 0.00 H new ATOM 0 HE ARG A 78 2.535 -10.006 6.939 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.110 -12.182 7.986 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.996 -13.321 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.109 -11.473 7.922 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.740 -12.922 8.712 1.00 0.00 H new ATOM 1216 N TRP A 79 4.997 -10.983 1.375 1.00 0.00 N ATOM 1217 CA TRP A 79 4.485 -11.730 0.231 1.00 0.00 C ATOM 1218 C TRP A 79 5.434 -12.861 -0.149 1.00 0.00 C ATOM 1219 O TRP A 79 5.080 -14.037 -0.064 1.00 0.00 O ATOM 1220 CB TRP A 79 4.280 -10.796 -0.963 1.00 0.00 C ATOM 1221 CG TRP A 79 3.429 -11.392 -2.044 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.541 -12.421 -1.914 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.388 -10.996 -3.419 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.950 -12.689 -3.125 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.452 -11.827 -4.064 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.049 -10.018 -4.167 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.164 -11.710 -5.422 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.762 -9.903 -5.514 1.00 0.00 C ATOM 1229 CH2 TRP A 79 2.826 -10.744 -6.130 1.00 0.00 C ATOM 0 H TRP A 79 5.608 -10.204 1.131 1.00 0.00 H new ATOM 0 HA TRP A 79 3.526 -12.165 0.512 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.820 -9.871 -0.617 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.252 -10.532 -1.380 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.334 -12.947 -0.994 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.251 -13.412 -3.297 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.771 -9.364 -3.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.444 -12.358 -5.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.268 -9.152 -6.102 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.623 -10.628 -7.184 1.00 0.00 H new ATOM 1240 N LYS A 80 6.641 -12.499 -0.569 1.00 0.00 N ATOM 1241 CA LYS A 80 7.643 -13.483 -0.961 1.00 0.00 C ATOM 1242 C LYS A 80 7.701 -14.630 0.043 1.00 0.00 C ATOM 1243 O LYS A 80 8.011 -15.766 -0.315 1.00 0.00 O ATOM 1244 CB LYS A 80 9.018 -12.823 -1.078 1.00 0.00 C ATOM 1245 CG LYS A 80 9.511 -12.211 0.221 1.00 0.00 C ATOM 1246 CD LYS A 80 10.836 -11.492 0.032 1.00 0.00 C ATOM 1247 CE LYS A 80 11.578 -11.333 1.350 1.00 0.00 C ATOM 1248 NZ LYS A 80 11.892 -12.650 1.972 1.00 0.00 N ATOM 0 H LYS A 80 6.950 -11.530 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 80 7.358 -13.888 -1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.740 -13.565 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.975 -12.047 -1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.767 -11.510 0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.624 -12.993 0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.456 -12.049 -0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.659 -10.510 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.503 -10.781 1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.974 -10.741 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.890 -12.667 2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.285 -12.794 2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.720 -13.409 1.283 1.00 0.00 H new ATOM 1262 N ARG A 81 7.399 -14.325 1.301 1.00 0.00 N ATOM 1263 CA ARG A 81 7.417 -15.330 2.356 1.00 0.00 C ATOM 1264 C ARG A 81 6.233 -16.282 2.220 1.00 0.00 C ATOM 1265 O ARG A 81 6.394 -17.501 2.276 1.00 0.00 O ATOM 1266 CB ARG A 81 7.390 -14.658 3.731 1.00 0.00 C ATOM 1267 CG ARG A 81 8.598 -13.777 4.002 1.00 0.00 C ATOM 1268 CD ARG A 81 8.390 -12.910 5.233 1.00 0.00 C ATOM 1269 NE ARG A 81 8.735 -13.615 6.464 1.00 0.00 N ATOM 1270 CZ ARG A 81 8.676 -13.062 7.670 1.00 0.00 C ATOM 1271 NH1 ARG A 81 8.287 -11.802 7.806 1.00 0.00 N ATOM 1272 NH2 ARG A 81 9.006 -13.769 8.743 1.00 0.00 N ATOM 0 H ARG A 81 7.139 -13.390 1.614 1.00 0.00 H new ATOM 0 HA ARG A 81 8.337 -15.906 2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.486 -14.055 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.332 -15.427 4.501 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.481 -14.401 4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.788 -13.142 3.137 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.998 -12.009 5.149 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.349 -12.589 5.279 1.00 0.00 H new ATOM 0 HE ARG A 81 9.038 -14.586 6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.032 -11.255 6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.242 -11.379 8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.306 -14.739 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.960 -13.343 9.669 1.00 0.00 H new ATOM 1286 N ALA A 82 5.043 -15.717 2.043 1.00 0.00 N ATOM 1287 CA ALA A 82 3.832 -16.515 1.897 1.00 0.00 C ATOM 1288 C ALA A 82 3.881 -17.360 0.629 1.00 0.00 C ATOM 1289 O ALA A 82 3.394 -18.491 0.604 1.00 0.00 O ATOM 1290 CB ALA A 82 2.605 -15.616 1.888 1.00 0.00 C ATOM 0 H ALA A 82 4.892 -14.709 1.997 1.00 0.00 H new ATOM 0 HA ALA A 82 3.767 -17.191 2.750 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.708 -16.226 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.554 -15.061 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.672 -14.917 1.055 1.00 0.00 H new ATOM 1296 N LYS A 83 4.470 -16.805 -0.424 1.00 0.00 N ATOM 1297 CA LYS A 83 4.583 -17.506 -1.698 1.00 0.00 C ATOM 1298 C LYS A 83 5.162 -18.904 -1.499 1.00 0.00 C ATOM 1299 O LYS A 83 4.741 -19.859 -2.152 1.00 0.00 O ATOM 1300 CB LYS A 83 5.463 -16.711 -2.665 1.00 0.00 C ATOM 1301 CG LYS A 83 4.951 -15.308 -2.939 1.00 0.00 C ATOM 1302 CD LYS A 83 3.858 -15.308 -3.994 1.00 0.00 C ATOM 1303 CE LYS A 83 4.436 -15.195 -5.396 1.00 0.00 C ATOM 1304 NZ LYS A 83 5.094 -16.459 -5.828 1.00 0.00 N ATOM 0 H LYS A 83 4.877 -15.870 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 83 3.583 -17.602 -2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.472 -16.647 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.534 -17.253 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.567 -14.874 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.776 -14.677 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.273 -16.224 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.176 -14.477 -3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.641 -14.941 -6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.159 -14.380 -5.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.065 -16.529 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.084 -16.462 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.594 -17.270 -5.412 1.00 0.00 H new ATOM 1318 N ARG A 84 6.127 -19.016 -0.593 1.00 0.00 N ATOM 1319 CA ARG A 84 6.763 -20.297 -0.308 1.00 0.00 C ATOM 1320 C ARG A 84 6.069 -21.002 0.853 1.00 0.00 C ATOM 1321 O ARG A 84 5.788 -22.199 0.786 1.00 0.00 O ATOM 1322 CB ARG A 84 8.244 -20.095 0.016 1.00 0.00 C ATOM 1323 CG ARG A 84 8.828 -21.182 0.904 1.00 0.00 C ATOM 1324 CD ARG A 84 8.891 -22.518 0.180 1.00 0.00 C ATOM 1325 NE ARG A 84 9.759 -23.471 0.865 1.00 0.00 N ATOM 1326 CZ ARG A 84 10.333 -24.507 0.263 1.00 0.00 C ATOM 1327 NH1 ARG A 84 10.133 -24.721 -1.030 1.00 0.00 N ATOM 1328 NH2 ARG A 84 11.111 -25.330 0.955 1.00 0.00 N ATOM 0 H ARG A 84 6.486 -18.235 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 84 6.675 -20.923 -1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.809 -20.056 -0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.371 -19.130 0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.829 -20.893 1.224 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.222 -21.283 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.887 -22.935 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.254 -22.363 -0.836 1.00 0.00 H new ATOM 0 HE ARG A 84 9.934 -23.334 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.537 -24.089 -1.565 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.575 -25.517 -1.490 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.268 -25.167 1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.551 -26.125 0.492 1.00 0.00 H new ATOM 1342 N GLU A 85 5.797 -20.253 1.917 1.00 0.00 N ATOM 1343 CA GLU A 85 5.137 -20.807 3.093 1.00 0.00 C ATOM 1344 C GLU A 85 3.742 -21.318 2.744 1.00 0.00 C ATOM 1345 O GLU A 85 3.468 -22.515 2.832 1.00 0.00 O ATOM 1346 CB GLU A 85 5.044 -19.753 4.198 1.00 0.00 C ATOM 1347 CG GLU A 85 6.393 -19.204 4.630 1.00 0.00 C ATOM 1348 CD GLU A 85 7.075 -20.081 5.663 1.00 0.00 C ATOM 1349 OE1 GLU A 85 6.447 -20.368 6.704 1.00 0.00 O ATOM 1350 OE2 GLU A 85 8.236 -20.478 5.431 1.00 0.00 O ATOM 0 H GLU A 85 6.024 -19.261 1.989 1.00 0.00 H new ATOM 0 HA GLU A 85 5.734 -21.646 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.420 -18.929 3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.545 -20.189 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.039 -19.108 3.757 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.260 -18.203 5.040 1.00 0.00 H new ATOM 1357 N GLU A 86 2.864 -20.402 2.348 1.00 0.00 N ATOM 1358 CA GLU A 86 1.497 -20.760 1.987 1.00 0.00 C ATOM 1359 C GLU A 86 1.476 -22.000 1.098 1.00 0.00 C ATOM 1360 O GLU A 86 0.731 -22.946 1.353 1.00 0.00 O ATOM 1361 CB GLU A 86 0.813 -19.593 1.271 1.00 0.00 C ATOM 1362 CG GLU A 86 -0.697 -19.738 1.177 1.00 0.00 C ATOM 1363 CD GLU A 86 -1.275 -19.038 -0.037 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -1.159 -19.590 -1.151 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -1.844 -17.938 0.126 1.00 0.00 O ATOM 0 H GLU A 86 3.075 -19.407 2.269 1.00 0.00 H new ATOM 0 HA GLU A 86 0.952 -20.983 2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.049 -18.667 1.796 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.224 -19.503 0.266 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.955 -20.796 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.154 -19.331 2.079 1.00 0.00 H new ATOM 1372 N ARG A 87 2.298 -21.986 0.054 1.00 0.00 N ATOM 1373 CA ARG A 87 2.373 -23.107 -0.874 1.00 0.00 C ATOM 1374 C ARG A 87 2.677 -24.406 -0.134 1.00 0.00 C ATOM 1375 O ARG A 87 2.280 -25.489 -0.568 1.00 0.00 O ATOM 1376 CB ARG A 87 3.445 -22.849 -1.935 1.00 0.00 C ATOM 1377 CG ARG A 87 2.943 -22.050 -3.126 1.00 0.00 C ATOM 1378 CD ARG A 87 2.082 -22.902 -4.045 1.00 0.00 C ATOM 1379 NE ARG A 87 1.674 -22.173 -5.244 1.00 0.00 N ATOM 1380 CZ ARG A 87 1.109 -22.751 -6.298 1.00 0.00 C ATOM 1381 NH1 ARG A 87 0.886 -24.058 -6.302 1.00 0.00 N ATOM 1382 NH2 ARG A 87 0.765 -22.021 -7.351 1.00 0.00 N ATOM 0 H ARG A 87 2.921 -21.210 -0.170 1.00 0.00 H new ATOM 0 HA ARG A 87 1.404 -23.206 -1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.278 -22.316 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.833 -23.805 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.366 -21.195 -2.775 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.792 -21.654 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.635 -23.796 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.196 -23.236 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 87 1.832 -21.166 -5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.148 -24.623 -5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.452 -24.499 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.934 -21.015 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.331 -22.466 -8.160 1.00 0.00 H new ATOM 1396 N LEU A 88 3.384 -24.292 0.985 1.00 0.00 N ATOM 1397 CA LEU A 88 3.742 -25.457 1.786 1.00 0.00 C ATOM 1398 C LEU A 88 2.601 -25.847 2.721 1.00 0.00 C ATOM 1399 O LEU A 88 2.147 -26.992 2.720 1.00 0.00 O ATOM 1400 CB LEU A 88 5.007 -25.173 2.598 1.00 0.00 C ATOM 1401 CG LEU A 88 6.327 -25.237 1.828 1.00 0.00 C ATOM 1402 CD1 LEU A 88 7.401 -24.432 2.543 1.00 0.00 C ATOM 1403 CD2 LEU A 88 6.771 -26.681 1.649 1.00 0.00 C ATOM 0 H LEU A 88 3.721 -23.404 1.358 1.00 0.00 H new ATOM 0 HA LEU A 88 3.932 -26.289 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.915 -24.181 3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.054 -25.886 3.421 1.00 0.00 H new ATOM 0 HG LEU A 88 6.171 -24.801 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.333 -24.489 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.086 -23.391 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.555 -24.838 3.543 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.712 -26.707 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.909 -27.143 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.011 -27.229 1.093 1.00 0.00 H new ATOM 1415 N LYS A 89 2.141 -24.888 3.516 1.00 0.00 N ATOM 1416 CA LYS A 89 1.050 -25.128 4.453 1.00 0.00 C ATOM 1417 C LYS A 89 -0.247 -25.435 3.712 1.00 0.00 C ATOM 1418 O LYS A 89 -1.173 -26.016 4.277 1.00 0.00 O ATOM 1419 CB LYS A 89 0.855 -23.913 5.363 1.00 0.00 C ATOM 1420 CG LYS A 89 0.603 -22.621 4.606 1.00 0.00 C ATOM 1421 CD LYS A 89 -0.270 -21.668 5.405 1.00 0.00 C ATOM 1422 CE LYS A 89 -0.825 -20.554 4.530 1.00 0.00 C ATOM 1423 NZ LYS A 89 0.093 -19.382 4.475 1.00 0.00 N ATOM 0 H LYS A 89 2.507 -23.936 3.530 1.00 0.00 H new ATOM 0 HA LYS A 89 1.312 -25.993 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.016 -24.102 6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.740 -23.792 5.988 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.554 -22.140 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.123 -22.844 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -1.093 -22.220 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.311 -21.237 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.991 -20.933 3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.794 -20.238 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.140 -18.797 3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.014 -18.816 5.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.076 -19.714 4.398 1.00 0.00 H new ATOM 1437 N ALA A 90 -0.306 -25.042 2.444 1.00 0.00 N ATOM 1438 CA ALA A 90 -1.488 -25.279 1.625 1.00 0.00 C ATOM 1439 C ALA A 90 -1.477 -26.686 1.038 1.00 0.00 C ATOM 1440 O ALA A 90 -0.446 -27.163 0.562 1.00 0.00 O ATOM 1441 CB ALA A 90 -1.576 -24.243 0.514 1.00 0.00 C ATOM 0 H ALA A 90 0.451 -24.558 1.962 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.366 -25.187 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.463 -24.432 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.639 -23.246 0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.688 -24.308 -0.115 1.00 0.00 H new ATOM 1447 N HIS A 91 -2.630 -27.347 1.077 1.00 0.00 N ATOM 1448 CA HIS A 91 -2.752 -28.701 0.549 1.00 0.00 C ATOM 1449 C HIS A 91 -2.610 -28.707 -0.970 1.00 0.00 C ATOM 1450 O HIS A 91 -3.557 -28.397 -1.693 1.00 0.00 O ATOM 1451 CB HIS A 91 -4.098 -29.308 0.949 1.00 0.00 C ATOM 1452 CG HIS A 91 -4.135 -30.802 0.851 1.00 0.00 C ATOM 1453 ND1 HIS A 91 -4.451 -31.618 1.915 1.00 0.00 N ATOM 1454 CD2 HIS A 91 -3.894 -31.626 -0.196 1.00 0.00 C ATOM 1455 CE1 HIS A 91 -4.402 -32.881 1.529 1.00 0.00 C ATOM 1456 NE2 HIS A 91 -4.066 -32.913 0.252 1.00 0.00 N ATOM 0 H HIS A 91 -3.492 -26.967 1.468 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.949 -29.303 0.974 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.330 -29.014 1.973 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.879 -28.891 0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.618 -31.327 -1.196 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.603 -33.740 2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.953 -33.757 -0.310 1.00 0.00 H new ATOM 1465 N SER A 92 -1.421 -29.061 -1.447 1.00 0.00 N ATOM 1466 CA SER A 92 -1.154 -29.103 -2.880 1.00 0.00 C ATOM 1467 C SER A 92 0.102 -29.917 -3.175 1.00 0.00 C ATOM 1468 O SER A 92 0.849 -30.278 -2.267 1.00 0.00 O ATOM 1469 CB SER A 92 -0.997 -27.685 -3.433 1.00 0.00 C ATOM 1470 OG SER A 92 -2.251 -27.144 -3.812 1.00 0.00 O ATOM 0 H SER A 92 -0.627 -29.323 -0.862 1.00 0.00 H new ATOM 0 HA SER A 92 -2.001 -29.584 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.535 -27.047 -2.680 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.328 -27.699 -4.294 1.00 0.00 H new ATOM 0 HG SER A 92 -2.942 -27.450 -3.188 1.00 0.00 H new ATOM 1476 N GLY A 93 0.327 -30.205 -4.454 1.00 0.00 N ATOM 1477 CA GLY A 93 1.493 -30.975 -4.847 1.00 0.00 C ATOM 1478 C GLY A 93 1.221 -32.466 -4.872 1.00 0.00 C ATOM 1479 O GLY A 93 0.077 -32.908 -4.977 1.00 0.00 O ATOM 0 H GLY A 93 -0.277 -29.919 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.822 -30.652 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.310 -30.769 -4.156 1.00 0.00 H new ATOM 1483 N PRO A 94 2.292 -33.268 -4.776 1.00 0.00 N ATOM 1484 CA PRO A 94 2.189 -34.730 -4.787 1.00 0.00 C ATOM 1485 C PRO A 94 1.544 -35.275 -3.517 1.00 0.00 C ATOM 1486 O PRO A 94 1.661 -34.681 -2.446 1.00 0.00 O ATOM 1487 CB PRO A 94 3.646 -35.187 -4.886 1.00 0.00 C ATOM 1488 CG PRO A 94 4.436 -34.066 -4.304 1.00 0.00 C ATOM 1489 CD PRO A 94 3.685 -32.809 -4.649 1.00 0.00 C ATOM 0 HA PRO A 94 1.559 -35.089 -5.601 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.808 -36.113 -4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.932 -35.377 -5.921 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.535 -34.178 -3.224 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.445 -34.044 -4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 94 3.789 -32.052 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.048 -32.366 -5.576 1.00 0.00 H new ATOM 1497 N SER A 95 0.864 -36.410 -3.645 1.00 0.00 N ATOM 1498 CA SER A 95 0.198 -37.034 -2.508 1.00 0.00 C ATOM 1499 C SER A 95 0.797 -38.406 -2.213 1.00 0.00 C ATOM 1500 O SER A 95 1.605 -38.922 -2.985 1.00 0.00 O ATOM 1501 CB SER A 95 -1.302 -37.167 -2.778 1.00 0.00 C ATOM 1502 OG SER A 95 -1.542 -37.887 -3.975 1.00 0.00 O ATOM 0 H SER A 95 0.760 -36.916 -4.525 1.00 0.00 H new ATOM 0 HA SER A 95 0.348 -36.397 -1.637 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.782 -37.675 -1.942 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.751 -36.176 -2.849 1.00 0.00 H new ATOM 0 HG SER A 95 -1.975 -38.740 -3.762 1.00 0.00 H new ATOM 1508 N SER A 96 0.394 -38.992 -1.090 1.00 0.00 N ATOM 1509 CA SER A 96 0.893 -40.302 -0.690 1.00 0.00 C ATOM 1510 C SER A 96 0.340 -41.395 -1.600 1.00 0.00 C ATOM 1511 O SER A 96 1.094 -42.114 -2.254 1.00 0.00 O ATOM 1512 CB SER A 96 0.514 -40.594 0.764 1.00 0.00 C ATOM 1513 OG SER A 96 1.274 -41.671 1.283 1.00 0.00 O ATOM 0 H SER A 96 -0.277 -38.580 -0.441 1.00 0.00 H new ATOM 0 HA SER A 96 1.979 -40.292 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.677 -39.704 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.548 -40.831 0.826 1.00 0.00 H new ATOM 0 HG SER A 96 1.014 -41.836 2.213 1.00 0.00 H new ATOM 1519 N GLY A 97 -0.984 -41.513 -1.636 1.00 0.00 N ATOM 1520 CA GLY A 97 -1.616 -42.520 -2.468 1.00 0.00 C ATOM 1521 C GLY A 97 -2.776 -41.964 -3.270 1.00 0.00 C ATOM 1522 O GLY A 97 -3.082 -40.774 -3.189 1.00 0.00 O ATOM 0 H GLY A 97 -1.630 -40.929 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.876 -42.941 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.971 -43.336 -1.839 1.00 0.00 H new TER 1526 GLY A 97