USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 692 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 50 MET CE :methyl -171:sc= 0 (180deg=-0.0146) USER MOD Set 1.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 0 X(o=1.1,f=0.96) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.957) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= 0.0463 (180deg=0.00314) USER MOD Single : A 14 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 1.22 K(o=1.2,f=-4.6!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.49 X(o=0.49,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 37 THR OG1 : rot -10:sc= 0.0469 USER MOD Single : A 46 TYR OH : rot 15:sc= 0 USER MOD Single : A 47 SER OG : rot 143:sc= 1.24 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc=-0.00503 (180deg=-0.144) USER MOD Single : A 53 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.12) USER MOD Single : A 58 THR OG1 : rot 180:sc=0.000292 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 52:sc= 1.18 USER MOD Single : A 68 ASN : amide:sc= 0.185 K(o=0.19,f=-3.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.11) USER MOD Single : A 95 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 29 N ASP A 3 -0.293 -1.201 -4.424 1.00 0.00 N ATOM 30 CA ASP A 3 -0.863 -1.464 -5.771 1.00 0.00 C ATOM 31 C ASP A 3 -2.426 -1.278 -5.750 1.00 0.00 C ATOM 32 O ASP A 3 -3.101 -2.106 -5.125 1.00 0.00 O ATOM 33 CB ASP A 3 -0.405 -2.889 -6.179 1.00 0.00 C ATOM 34 CG ASP A 3 -0.794 -3.292 -7.601 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.914 -3.681 -7.916 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.235 -3.155 -8.481 1.00 0.00 O ATOM 0 HA ASP A 3 -0.506 -0.755 -6.518 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.679 -2.952 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.831 -3.609 -5.480 1.00 0.00 H new ATOM 41 N PRO A 4 -3.052 -0.272 -6.433 1.00 0.00 N ATOM 42 CA PRO A 4 -4.534 -0.112 -6.440 1.00 0.00 C ATOM 43 C PRO A 4 -5.398 -1.147 -7.236 1.00 0.00 C ATOM 44 O PRO A 4 -6.563 -1.337 -6.881 1.00 0.00 O ATOM 45 CB PRO A 4 -4.719 1.344 -6.903 1.00 0.00 C ATOM 46 CG PRO A 4 -3.426 1.787 -7.578 1.00 0.00 C ATOM 47 CD PRO A 4 -2.336 0.810 -7.135 1.00 0.00 C ATOM 0 HA PRO A 4 -4.931 -0.331 -5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.557 1.421 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.947 1.989 -6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.534 1.779 -8.663 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.170 2.807 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.780 0.425 -7.990 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.614 1.296 -6.478 1.00 0.00 H new ATOM 55 N ALA A 5 -4.854 -1.847 -8.251 1.00 0.00 N ATOM 56 CA ALA A 5 -5.510 -3.047 -8.850 1.00 0.00 C ATOM 57 C ALA A 5 -5.678 -4.267 -7.879 1.00 0.00 C ATOM 58 O ALA A 5 -6.793 -4.774 -7.728 1.00 0.00 O ATOM 59 CB ALA A 5 -4.736 -3.398 -10.135 1.00 0.00 C ATOM 0 H ALA A 5 -3.960 -1.609 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.545 -2.796 -9.081 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.187 -4.273 -10.604 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.776 -2.556 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.697 -3.614 -9.886 1.00 0.00 H new ATOM 65 N ALA A 6 -4.615 -4.678 -7.154 1.00 0.00 N ATOM 66 CA ALA A 6 -4.757 -5.515 -5.928 1.00 0.00 C ATOM 67 C ALA A 6 -5.617 -4.901 -4.768 1.00 0.00 C ATOM 68 O ALA A 6 -6.412 -5.619 -4.159 1.00 0.00 O ATOM 69 CB ALA A 6 -3.331 -5.869 -5.468 1.00 0.00 C ATOM 0 H ALA A 6 -3.650 -4.448 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.336 -6.400 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.381 -6.484 -4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.820 -6.421 -6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.781 -4.953 -5.251 1.00 0.00 H new ATOM 75 N GLY A 7 -5.512 -3.585 -4.497 1.00 0.00 N ATOM 76 CA GLY A 7 -6.458 -2.847 -3.616 1.00 0.00 C ATOM 77 C GLY A 7 -7.972 -2.900 -3.910 1.00 0.00 C ATOM 78 O GLY A 7 -8.751 -3.045 -2.970 1.00 0.00 O ATOM 0 H GLY A 7 -4.771 -2.998 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.310 -3.213 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.161 -1.798 -3.624 1.00 0.00 H new ATOM 82 N GLU A 8 -8.386 -2.834 -5.186 1.00 0.00 N ATOM 83 CA GLU A 8 -9.761 -3.220 -5.629 1.00 0.00 C ATOM 84 C GLU A 8 -10.213 -4.665 -5.203 1.00 0.00 C ATOM 85 O GLU A 8 -11.315 -4.831 -4.675 1.00 0.00 O ATOM 86 CB GLU A 8 -9.829 -2.982 -7.168 1.00 0.00 C ATOM 87 CG GLU A 8 -11.242 -2.868 -7.798 1.00 0.00 C ATOM 88 CD GLU A 8 -12.046 -4.165 -7.893 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.723 -5.123 -8.588 1.00 0.00 O ATOM 90 OE2 GLU A 8 -13.162 -4.141 -7.113 1.00 0.00 O ATOM 0 H GLU A 8 -7.788 -2.514 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.487 -2.594 -5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.282 -2.067 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.302 -3.799 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.819 -2.149 -7.217 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.137 -2.456 -8.802 1.00 0.00 H new ATOM 97 N LYS A 9 -9.353 -5.688 -5.380 1.00 0.00 N ATOM 98 CA LYS A 9 -9.567 -7.056 -4.817 1.00 0.00 C ATOM 99 C LYS A 9 -9.703 -7.119 -3.252 1.00 0.00 C ATOM 100 O LYS A 9 -10.652 -7.735 -2.760 1.00 0.00 O ATOM 101 CB LYS A 9 -8.466 -8.029 -5.330 1.00 0.00 C ATOM 102 CG LYS A 9 -8.279 -8.121 -6.864 1.00 0.00 C ATOM 103 CD LYS A 9 -7.246 -9.191 -7.278 1.00 0.00 C ATOM 104 CE LYS A 9 -6.903 -9.203 -8.779 1.00 0.00 C ATOM 105 NZ LYS A 9 -8.018 -9.713 -9.603 1.00 0.00 N ATOM 0 H LYS A 9 -8.489 -5.600 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.542 -7.375 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.515 -7.730 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.692 -9.027 -4.954 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.238 -8.349 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.963 -7.150 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.329 -9.031 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.627 -10.173 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.649 -8.193 -9.100 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.020 -9.821 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.742 -9.703 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.245 -10.687 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.854 -9.109 -9.468 1.00 0.00 H new ATOM 118 N VAL A 10 -8.819 -6.455 -2.471 1.00 0.00 N ATOM 119 CA VAL A 10 -9.001 -6.289 -0.985 1.00 0.00 C ATOM 120 C VAL A 10 -10.280 -5.449 -0.587 1.00 0.00 C ATOM 121 O VAL A 10 -10.993 -5.840 0.343 1.00 0.00 O ATOM 122 CB VAL A 10 -7.710 -5.774 -0.243 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.757 -6.077 1.276 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.353 -6.332 -0.736 1.00 0.00 C ATOM 0 H VAL A 10 -7.969 -6.021 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.179 -7.303 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.743 -4.709 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.848 -5.705 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.624 -5.586 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.832 -7.153 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.546 -5.900 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.344 -7.416 -0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.213 -6.073 -1.785 1.00 0.00 H new ATOM 134 N PHE A 11 -10.619 -4.359 -1.314 1.00 0.00 N ATOM 135 CA PHE A 11 -11.962 -3.701 -1.254 1.00 0.00 C ATOM 136 C PHE A 11 -13.226 -4.613 -1.499 1.00 0.00 C ATOM 137 O PHE A 11 -14.308 -4.266 -1.021 1.00 0.00 O ATOM 138 CB PHE A 11 -11.930 -2.460 -2.200 1.00 0.00 C ATOM 139 CG PHE A 11 -12.998 -1.386 -1.916 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.293 -1.513 -2.429 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.688 -0.282 -1.115 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.280 -0.591 -2.088 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.667 0.656 -0.800 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.968 0.488 -1.268 1.00 0.00 C ATOM 0 H PHE A 11 -9.975 -3.905 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.113 -3.412 -0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.946 -1.997 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.049 -2.804 -3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.529 -2.331 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.683 -0.157 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.286 -0.714 -2.460 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.418 1.514 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.736 1.197 -0.994 1.00 0.00 H new ATOM 154 N GLY A 12 -13.107 -5.797 -2.135 1.00 0.00 N ATOM 155 CA GLY A 12 -14.091 -6.908 -1.990 1.00 0.00 C ATOM 156 C GLY A 12 -14.660 -7.260 -0.584 1.00 0.00 C ATOM 157 O GLY A 12 -15.852 -7.546 -0.468 1.00 0.00 O ATOM 0 H GLY A 12 -12.333 -6.016 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.939 -6.678 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.624 -7.810 -2.387 1.00 0.00 H new ATOM 161 N LYS A 13 -13.835 -7.186 0.476 1.00 0.00 N ATOM 162 CA LYS A 13 -14.327 -7.190 1.891 1.00 0.00 C ATOM 163 C LYS A 13 -15.139 -5.928 2.360 1.00 0.00 C ATOM 164 O LYS A 13 -16.021 -6.051 3.212 1.00 0.00 O ATOM 165 CB LYS A 13 -13.136 -7.448 2.860 1.00 0.00 C ATOM 166 CG LYS A 13 -12.376 -8.787 2.687 1.00 0.00 C ATOM 167 CD LYS A 13 -11.283 -9.038 3.755 1.00 0.00 C ATOM 168 CE LYS A 13 -11.674 -9.957 4.929 1.00 0.00 C ATOM 169 NZ LYS A 13 -12.633 -9.331 5.858 1.00 0.00 N ATOM 0 H LYS A 13 -12.820 -7.122 0.393 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.057 -7.999 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.421 -6.633 2.745 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.512 -7.400 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.094 -9.606 2.719 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.915 -8.805 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.413 -9.468 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.975 -8.075 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.107 -10.876 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.775 -10.237 5.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.567 -9.792 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.412 -8.320 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.598 -9.440 5.486 1.00 0.00 H new ATOM 182 N CYS A 14 -14.833 -4.735 1.829 1.00 0.00 N ATOM 183 CA CYS A 14 -15.565 -3.474 2.132 1.00 0.00 C ATOM 184 C CYS A 14 -16.901 -3.250 1.342 1.00 0.00 C ATOM 185 O CYS A 14 -17.873 -2.766 1.930 1.00 0.00 O ATOM 186 CB CYS A 14 -14.601 -2.278 1.916 1.00 0.00 C ATOM 187 SG CYS A 14 -12.866 -2.614 2.342 1.00 0.00 S ATOM 0 H CYS A 14 -14.065 -4.606 1.170 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.885 -3.556 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.652 -1.972 0.871 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.951 -1.435 2.512 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.151 -1.551 2.122 1.00 0.00 H new ATOM 192 N LYS A 15 -16.946 -3.571 0.029 1.00 0.00 N ATOM 193 CA LYS A 15 -18.090 -3.249 -0.879 1.00 0.00 C ATOM 194 C LYS A 15 -19.536 -3.713 -0.496 1.00 0.00 C ATOM 195 O LYS A 15 -20.499 -3.015 -0.824 1.00 0.00 O ATOM 196 CB LYS A 15 -17.705 -3.646 -2.333 1.00 0.00 C ATOM 197 CG LYS A 15 -17.684 -5.156 -2.673 1.00 0.00 C ATOM 198 CD LYS A 15 -17.219 -5.432 -4.119 1.00 0.00 C ATOM 199 CE LYS A 15 -17.278 -6.913 -4.536 1.00 0.00 C ATOM 200 NZ LYS A 15 -18.663 -7.347 -4.816 1.00 0.00 N ATOM 0 H LYS A 15 -16.188 -4.065 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.215 -2.172 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.403 -3.157 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.716 -3.239 -2.544 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.022 -5.672 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.682 -5.571 -2.531 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.836 -4.850 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.195 -5.076 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.662 -7.066 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.856 -7.531 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.663 -8.349 -5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.245 -7.224 -3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.057 -6.774 -5.589 1.00 0.00 H new ATOM 213 N ALA A 16 -19.695 -4.850 0.208 1.00 0.00 N ATOM 214 CA ALA A 16 -20.990 -5.244 0.830 1.00 0.00 C ATOM 215 C ALA A 16 -21.612 -4.248 1.871 1.00 0.00 C ATOM 216 O ALA A 16 -22.834 -4.086 1.890 1.00 0.00 O ATOM 217 CB ALA A 16 -20.773 -6.646 1.430 1.00 0.00 C ATOM 0 H ALA A 16 -18.943 -5.520 0.365 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.747 -5.230 0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.695 -6.987 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.492 -7.341 0.639 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.978 -6.604 2.175 1.00 0.00 H new ATOM 223 N CYS A 17 -20.792 -3.580 2.706 1.00 0.00 N ATOM 224 CA CYS A 17 -21.254 -2.457 3.565 1.00 0.00 C ATOM 225 C CYS A 17 -21.074 -1.017 2.964 1.00 0.00 C ATOM 226 O CYS A 17 -21.962 -0.175 3.139 1.00 0.00 O ATOM 227 CB CYS A 17 -20.523 -2.567 4.918 1.00 0.00 C ATOM 228 SG CYS A 17 -20.679 -4.202 5.701 1.00 0.00 S ATOM 0 H CYS A 17 -19.800 -3.796 2.808 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.334 -2.566 3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.466 -2.344 4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.916 -1.810 5.596 1.00 0.00 H new ATOM 0 HG CYS A 17 -20.034 -4.206 6.830 1.00 0.00 H new ATOM 233 N HIS A 18 -19.920 -0.712 2.335 1.00 0.00 N ATOM 234 CA HIS A 18 -19.522 0.660 1.933 1.00 0.00 C ATOM 235 C HIS A 18 -19.574 0.842 0.385 1.00 0.00 C ATOM 236 O HIS A 18 -18.967 0.098 -0.391 1.00 0.00 O ATOM 237 CB HIS A 18 -18.076 0.928 2.420 1.00 0.00 C ATOM 238 CG HIS A 18 -17.919 1.230 3.906 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.826 2.504 4.405 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.556 0.313 4.892 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.320 2.265 5.641 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.213 0.958 6.093 1.00 0.00 N ATOM 0 H HIS A 18 -19.227 -1.418 2.087 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.222 1.363 2.384 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.465 0.058 2.179 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.672 1.767 1.854 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.071 3.391 3.966 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.540 -0.758 4.751 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.003 3.086 6.268 1.00 0.00 H new ATOM 250 N LYS A 19 -20.254 1.907 -0.042 1.00 0.00 N ATOM 251 CA LYS A 19 -20.489 2.209 -1.482 1.00 0.00 C ATOM 252 C LYS A 19 -19.457 3.244 -2.036 1.00 0.00 C ATOM 253 O LYS A 19 -19.214 4.293 -1.435 1.00 0.00 O ATOM 254 CB LYS A 19 -21.940 2.744 -1.615 1.00 0.00 C ATOM 255 CG LYS A 19 -23.070 1.714 -1.358 1.00 0.00 C ATOM 256 CD LYS A 19 -24.452 2.384 -1.239 1.00 0.00 C ATOM 257 CE LYS A 19 -25.578 1.372 -0.984 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.857 2.084 -0.802 1.00 0.00 N ATOM 0 H LYS A 19 -20.664 2.594 0.590 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.357 1.304 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.066 3.573 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.066 3.149 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -23.089 0.988 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.855 1.163 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.431 3.111 -0.427 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.665 2.936 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -25.653 0.679 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.352 0.778 -0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.617 1.395 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.783 2.728 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -27.074 2.632 -1.659 1.00 0.00 H new ATOM 271 N LEU A 20 -18.893 2.987 -3.226 1.00 0.00 N ATOM 272 CA LEU A 20 -18.080 4.006 -3.969 1.00 0.00 C ATOM 273 C LEU A 20 -18.898 5.082 -4.761 1.00 0.00 C ATOM 274 O LEU A 20 -18.377 6.179 -4.979 1.00 0.00 O ATOM 275 CB LEU A 20 -17.072 3.276 -4.900 1.00 0.00 C ATOM 276 CG LEU A 20 -15.955 2.462 -4.195 1.00 0.00 C ATOM 277 CD1 LEU A 20 -15.223 1.570 -5.206 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.936 3.362 -3.470 1.00 0.00 C ATOM 0 H LEU A 20 -18.975 2.091 -3.706 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.560 4.585 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.631 2.601 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.601 4.018 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.445 1.845 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.443 1.006 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.932 0.878 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.774 2.191 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.177 2.742 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.461 4.028 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.448 3.954 -2.712 1.00 0.00 H new ATOM 290 N ASP A 21 -20.156 4.831 -5.178 1.00 0.00 N ATOM 291 CA ASP A 21 -20.952 5.804 -5.995 1.00 0.00 C ATOM 292 C ASP A 21 -21.612 6.972 -5.167 1.00 0.00 C ATOM 293 O ASP A 21 -22.818 7.221 -5.255 1.00 0.00 O ATOM 294 CB ASP A 21 -21.981 4.991 -6.835 1.00 0.00 C ATOM 295 CG ASP A 21 -21.390 4.088 -7.919 1.00 0.00 C ATOM 296 OD1 ASP A 21 -21.061 4.483 -9.032 1.00 0.00 O ATOM 297 OD2 ASP A 21 -21.265 2.796 -7.508 1.00 0.00 O ATOM 0 H ASP A 21 -20.653 3.965 -4.968 1.00 0.00 H new ATOM 0 HA ASP A 21 -20.270 6.339 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -22.570 4.374 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.670 5.691 -7.308 1.00 0.00 H new ATOM 302 N GLY A 22 -20.801 7.708 -4.379 1.00 0.00 N ATOM 303 CA GLY A 22 -21.232 8.936 -3.643 1.00 0.00 C ATOM 304 C GLY A 22 -22.415 8.935 -2.635 1.00 0.00 C ATOM 305 O GLY A 22 -22.857 10.015 -2.244 1.00 0.00 O ATOM 0 H GLY A 22 -19.820 7.473 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.359 9.295 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.467 9.686 -4.399 1.00 0.00 H new ATOM 309 N ASN A 23 -22.924 7.765 -2.222 1.00 0.00 N ATOM 310 CA ASN A 23 -24.171 7.643 -1.415 1.00 0.00 C ATOM 311 C ASN A 23 -23.943 6.613 -0.267 1.00 0.00 C ATOM 312 O ASN A 23 -23.530 5.478 -0.513 1.00 0.00 O ATOM 313 CB ASN A 23 -25.339 7.187 -2.335 1.00 0.00 C ATOM 314 CG ASN A 23 -25.912 8.264 -3.264 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.795 9.028 -2.893 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.454 8.362 -4.489 1.00 0.00 N ATOM 0 H ASN A 23 -22.489 6.867 -2.433 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.427 8.607 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.992 6.353 -2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -26.145 6.808 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.833 9.068 -5.120 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.719 7.732 -4.811 1.00 0.00 H new ATOM 323 N ASP A 24 -24.216 6.994 0.991 1.00 0.00 N ATOM 324 CA ASP A 24 -23.998 6.110 2.175 1.00 0.00 C ATOM 325 C ASP A 24 -25.013 4.933 2.333 1.00 0.00 C ATOM 326 O ASP A 24 -26.225 5.154 2.238 1.00 0.00 O ATOM 327 CB ASP A 24 -23.960 6.982 3.457 1.00 0.00 C ATOM 328 CG ASP A 24 -25.118 7.944 3.775 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.355 7.386 3.596 1.00 0.00 O ATOM 330 OD2 ASP A 24 -24.929 9.097 4.149 1.00 0.00 O ATOM 0 H ASP A 24 -24.591 7.913 1.228 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.042 5.613 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -23.861 6.305 4.305 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.048 7.577 3.416 1.00 0.00 H new ATOM 335 N GLY A 25 -24.517 3.728 2.654 1.00 0.00 N ATOM 336 CA GLY A 25 -25.385 2.539 2.890 1.00 0.00 C ATOM 337 C GLY A 25 -25.312 2.008 4.335 1.00 0.00 C ATOM 338 O GLY A 25 -25.731 2.696 5.269 1.00 0.00 O ATOM 0 H GLY A 25 -23.520 3.540 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.418 2.800 2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.095 1.744 2.203 1.00 0.00 H new ATOM 342 N VAL A 26 -24.778 0.790 4.521 1.00 0.00 N ATOM 343 CA VAL A 26 -24.498 0.227 5.888 1.00 0.00 C ATOM 344 C VAL A 26 -23.252 0.907 6.560 1.00 0.00 C ATOM 345 O VAL A 26 -23.333 1.277 7.733 1.00 0.00 O ATOM 346 CB VAL A 26 -24.416 -1.341 5.866 1.00 0.00 C ATOM 347 CG1 VAL A 26 -24.154 -1.980 7.253 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.675 -2.037 5.292 1.00 0.00 C ATOM 0 H VAL A 26 -24.526 0.164 3.756 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.347 0.474 6.525 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.564 -1.508 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -24.111 -3.064 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -23.206 -1.615 7.649 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.960 -1.711 7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.535 -3.118 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.544 -1.772 5.894 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -25.834 -1.712 4.264 1.00 0.00 H new ATOM 358 N GLY A 27 -22.132 1.090 5.836 1.00 0.00 N ATOM 359 CA GLY A 27 -21.127 2.124 6.181 1.00 0.00 C ATOM 360 C GLY A 27 -21.181 3.413 5.296 1.00 0.00 C ATOM 361 O GLY A 27 -21.793 3.400 4.218 1.00 0.00 O ATOM 0 H GLY A 27 -21.897 0.539 5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.264 2.410 7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.132 1.686 6.099 1.00 0.00 H new ATOM 365 N PRO A 28 -20.525 4.548 5.679 1.00 0.00 N ATOM 366 CA PRO A 28 -20.476 5.781 4.840 1.00 0.00 C ATOM 367 C PRO A 28 -19.596 5.658 3.555 1.00 0.00 C ATOM 368 O PRO A 28 -18.545 5.013 3.564 1.00 0.00 O ATOM 369 CB PRO A 28 -19.923 6.812 5.842 1.00 0.00 C ATOM 370 CG PRO A 28 -19.038 5.992 6.778 1.00 0.00 C ATOM 371 CD PRO A 28 -19.809 4.691 6.962 1.00 0.00 C ATOM 0 HA PRO A 28 -21.446 6.038 4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.353 7.591 5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.726 7.308 6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.053 5.815 6.345 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.881 6.502 7.729 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.142 3.849 7.149 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.498 4.745 7.805 1.00 0.00 H new ATOM 379 N HIS A 29 -20.009 6.293 2.447 1.00 0.00 N ATOM 380 CA HIS A 29 -19.371 6.105 1.109 1.00 0.00 C ATOM 381 C HIS A 29 -17.824 6.342 1.042 1.00 0.00 C ATOM 382 O HIS A 29 -17.362 7.447 1.331 1.00 0.00 O ATOM 383 CB HIS A 29 -20.151 6.951 0.060 1.00 0.00 C ATOM 384 CG HIS A 29 -20.183 8.474 0.236 1.00 0.00 C ATOM 385 ND1 HIS A 29 -21.171 9.140 0.949 1.00 0.00 N ATOM 386 CD2 HIS A 29 -19.290 9.384 -0.355 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.781 10.432 0.699 1.00 0.00 C ATOM 388 NE2 HIS A 29 -19.659 10.679 -0.047 1.00 0.00 N ATOM 0 H HIS A 29 -20.789 6.950 2.439 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.448 5.043 0.877 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.727 6.738 -0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.181 6.596 0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.439 9.111 -0.962 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.360 11.255 1.091 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -19.222 11.565 -0.302 1.00 0.00 H new ATOM 396 N LEU A 30 -17.019 5.322 0.690 1.00 0.00 N ATOM 397 CA LEU A 30 -15.519 5.436 0.718 1.00 0.00 C ATOM 398 C LEU A 30 -14.817 6.183 -0.471 1.00 0.00 C ATOM 399 O LEU A 30 -13.595 6.354 -0.436 1.00 0.00 O ATOM 400 CB LEU A 30 -14.890 4.033 0.969 1.00 0.00 C ATOM 401 CG LEU A 30 -15.128 3.405 2.366 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.656 1.943 2.402 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.453 4.163 3.523 1.00 0.00 C ATOM 0 H LEU A 30 -17.362 4.412 0.383 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.322 6.113 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.278 3.346 0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.815 4.108 0.808 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.206 3.469 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.835 1.527 3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.207 1.364 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.590 1.899 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.669 3.658 4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.375 4.186 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.836 5.183 3.562 1.00 0.00 H new ATOM 415 N ASN A 31 -15.561 6.701 -1.464 1.00 0.00 N ATOM 416 CA ASN A 31 -15.027 7.661 -2.463 1.00 0.00 C ATOM 417 C ASN A 31 -14.889 9.085 -1.822 1.00 0.00 C ATOM 418 O ASN A 31 -15.873 9.674 -1.358 1.00 0.00 O ATOM 419 CB ASN A 31 -15.958 7.604 -3.696 1.00 0.00 C ATOM 420 CG ASN A 31 -15.435 8.330 -4.935 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.310 8.130 -5.380 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.236 9.162 -5.553 1.00 0.00 N ATOM 0 H ASN A 31 -16.545 6.471 -1.602 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.020 7.402 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.133 6.559 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.923 8.031 -3.424 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -15.923 9.639 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.173 9.333 -5.189 1.00 0.00 H new ATOM 429 N GLY A 32 -13.649 9.581 -1.724 1.00 0.00 N ATOM 430 CA GLY A 32 -13.315 10.777 -0.898 1.00 0.00 C ATOM 431 C GLY A 32 -13.054 10.558 0.611 1.00 0.00 C ATOM 432 O GLY A 32 -13.425 11.424 1.408 1.00 0.00 O ATOM 0 H GLY A 32 -12.846 9.177 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.429 11.244 -1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.132 11.492 -0.997 1.00 0.00 H new ATOM 436 N VAL A 33 -12.445 9.428 1.012 1.00 0.00 N ATOM 437 CA VAL A 33 -12.090 9.142 2.441 1.00 0.00 C ATOM 438 C VAL A 33 -10.663 9.616 2.899 1.00 0.00 C ATOM 439 O VAL A 33 -10.518 9.996 4.063 1.00 0.00 O ATOM 440 CB VAL A 33 -12.417 7.650 2.791 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.466 6.610 2.158 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.490 7.392 4.315 1.00 0.00 C ATOM 0 H VAL A 33 -12.180 8.682 0.369 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.732 9.780 3.049 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.402 7.508 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.772 5.608 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.507 6.693 1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.447 6.795 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.719 6.342 4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.531 7.638 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.271 8.014 4.752 1.00 0.00 H new ATOM 452 N VAL A 34 -9.612 9.591 2.052 1.00 0.00 N ATOM 453 CA VAL A 34 -8.223 9.971 2.470 1.00 0.00 C ATOM 454 C VAL A 34 -8.127 11.530 2.632 1.00 0.00 C ATOM 455 O VAL A 34 -8.348 12.285 1.679 1.00 0.00 O ATOM 456 CB VAL A 34 -7.126 9.376 1.519 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.687 9.662 2.014 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.222 7.847 1.312 1.00 0.00 C ATOM 0 H VAL A 34 -9.687 9.314 1.073 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.017 9.523 3.442 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.326 9.883 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.970 9.227 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.530 10.739 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.547 9.221 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.427 7.520 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.117 7.343 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.189 7.599 0.875 1.00 0.00 H new ATOM 468 N GLY A 35 -7.852 11.999 3.861 1.00 0.00 N ATOM 469 CA GLY A 35 -8.084 13.424 4.245 1.00 0.00 C ATOM 470 C GLY A 35 -9.482 13.843 4.782 1.00 0.00 C ATOM 471 O GLY A 35 -9.666 15.021 5.088 1.00 0.00 O ATOM 0 H GLY A 35 -7.470 11.423 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.348 13.684 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.869 14.039 3.371 1.00 0.00 H new ATOM 475 N ARG A 36 -10.451 12.921 4.923 1.00 0.00 N ATOM 476 CA ARG A 36 -11.802 13.218 5.469 1.00 0.00 C ATOM 477 C ARG A 36 -11.796 13.301 7.026 1.00 0.00 C ATOM 478 O ARG A 36 -11.173 12.477 7.699 1.00 0.00 O ATOM 479 CB ARG A 36 -12.740 12.093 4.956 1.00 0.00 C ATOM 480 CG ARG A 36 -14.242 12.274 5.293 1.00 0.00 C ATOM 481 CD ARG A 36 -15.106 11.041 5.004 1.00 0.00 C ATOM 482 NE ARG A 36 -15.324 10.863 3.546 1.00 0.00 N ATOM 483 CZ ARG A 36 -16.045 9.900 2.987 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.646 8.949 3.656 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.153 9.888 1.697 1.00 0.00 N ATOM 0 H ARG A 36 -10.326 11.943 4.662 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.147 14.195 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.634 12.021 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.403 11.144 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.337 12.531 6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.631 13.118 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.624 10.153 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.067 11.142 5.508 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.882 11.538 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.575 8.918 4.673 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.185 8.239 3.160 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.690 10.606 1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.701 9.160 1.238 1.00 0.00 H new ATOM 499 N THR A 37 -12.582 14.229 7.597 1.00 0.00 N ATOM 500 CA THR A 37 -12.860 14.284 9.066 1.00 0.00 C ATOM 501 C THR A 37 -13.446 12.944 9.633 1.00 0.00 C ATOM 502 O THR A 37 -14.300 12.306 9.005 1.00 0.00 O ATOM 503 CB THR A 37 -13.793 15.512 9.323 1.00 0.00 C ATOM 504 OG1 THR A 37 -13.136 16.714 8.933 1.00 0.00 O ATOM 505 CG2 THR A 37 -14.218 15.744 10.783 1.00 0.00 C ATOM 0 H THR A 37 -13.047 14.966 7.067 1.00 0.00 H new ATOM 0 HA THR A 37 -11.924 14.410 9.610 1.00 0.00 H new ATOM 0 HB THR A 37 -14.683 15.274 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.192 16.526 8.748 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.862 16.621 10.839 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.761 14.872 11.147 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.333 15.904 11.399 1.00 0.00 H new ATOM 513 N VAL A 38 -12.989 12.528 10.829 1.00 0.00 N ATOM 514 CA VAL A 38 -13.523 11.316 11.524 1.00 0.00 C ATOM 515 C VAL A 38 -14.989 11.603 12.013 1.00 0.00 C ATOM 516 O VAL A 38 -15.217 12.517 12.811 1.00 0.00 O ATOM 517 CB VAL A 38 -12.565 10.835 12.669 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.080 9.549 13.353 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.115 10.527 12.219 1.00 0.00 C ATOM 0 H VAL A 38 -12.250 13.007 11.344 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.566 10.482 10.823 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.555 11.687 13.349 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.386 9.252 14.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.062 9.736 13.788 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.156 8.750 12.615 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.529 10.202 13.078 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.127 9.737 11.468 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.668 11.425 11.793 1.00 0.00 H new ATOM 529 N ALA A 39 -15.965 10.857 11.456 1.00 0.00 N ATOM 530 CA ALA A 39 -17.395 11.284 11.379 1.00 0.00 C ATOM 531 C ALA A 39 -17.640 12.455 10.365 1.00 0.00 C ATOM 532 O ALA A 39 -17.960 13.582 10.753 1.00 0.00 O ATOM 533 CB ALA A 39 -18.067 11.473 12.757 1.00 0.00 C ATOM 0 H ALA A 39 -15.793 9.940 11.044 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.927 10.436 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.103 11.783 12.617 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.041 10.532 13.307 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.532 12.238 13.321 1.00 0.00 H new ATOM 539 N GLY A 40 -17.496 12.172 9.056 1.00 0.00 N ATOM 540 CA GLY A 40 -17.586 13.214 7.994 1.00 0.00 C ATOM 541 C GLY A 40 -18.453 12.858 6.767 1.00 0.00 C ATOM 542 O GLY A 40 -17.975 12.949 5.636 1.00 0.00 O ATOM 0 H GLY A 40 -17.317 11.233 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.981 14.126 8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.577 13.440 7.648 1.00 0.00 H new ATOM 546 N VAL A 41 -19.730 12.500 6.987 1.00 0.00 N ATOM 547 CA VAL A 41 -20.760 12.419 5.902 1.00 0.00 C ATOM 548 C VAL A 41 -22.089 12.962 6.520 1.00 0.00 C ATOM 549 O VAL A 41 -22.697 12.306 7.374 1.00 0.00 O ATOM 550 CB VAL A 41 -20.933 10.986 5.270 1.00 0.00 C ATOM 551 CG1 VAL A 41 -22.092 10.896 4.245 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.671 10.483 4.534 1.00 0.00 C ATOM 0 H VAL A 41 -20.089 12.258 7.910 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.437 13.020 5.052 1.00 0.00 H new ATOM 0 HB VAL A 41 -21.144 10.365 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -22.152 9.881 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -23.032 11.151 4.735 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.909 11.592 3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.860 9.491 4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.424 11.170 3.724 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.837 10.433 5.234 1.00 0.00 H new ATOM 562 N ASP A 42 -22.570 14.128 6.047 1.00 0.00 N ATOM 563 CA ASP A 42 -23.901 14.675 6.445 1.00 0.00 C ATOM 564 C ASP A 42 -25.050 13.870 5.754 1.00 0.00 C ATOM 565 O ASP A 42 -25.257 13.963 4.540 1.00 0.00 O ATOM 566 CB ASP A 42 -23.972 16.187 6.104 1.00 0.00 C ATOM 567 CG ASP A 42 -23.062 17.085 6.943 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.348 17.487 8.065 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.896 17.383 6.306 1.00 0.00 O ATOM 0 H ASP A 42 -22.063 14.717 5.387 1.00 0.00 H new ATOM 0 HA ASP A 42 -24.030 14.567 7.522 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.717 16.319 5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -25.002 16.523 6.227 1.00 0.00 H new ATOM 574 N GLY A 43 -25.731 13.018 6.534 1.00 0.00 N ATOM 575 CA GLY A 43 -26.503 11.874 5.973 1.00 0.00 C ATOM 576 C GLY A 43 -26.407 10.568 6.792 1.00 0.00 C ATOM 577 O GLY A 43 -27.436 9.950 7.068 1.00 0.00 O ATOM 0 H GLY A 43 -25.770 13.089 7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.551 12.163 5.897 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -26.152 11.678 4.960 1.00 0.00 H new ATOM 581 N PHE A 44 -25.186 10.132 7.157 1.00 0.00 N ATOM 582 CA PHE A 44 -24.979 8.870 7.914 1.00 0.00 C ATOM 583 C PHE A 44 -25.097 9.083 9.461 1.00 0.00 C ATOM 584 O PHE A 44 -24.476 9.985 10.036 1.00 0.00 O ATOM 585 CB PHE A 44 -23.604 8.277 7.488 1.00 0.00 C ATOM 586 CG PHE A 44 -23.355 6.847 8.002 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.925 5.749 7.349 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.650 6.643 9.192 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.797 4.471 7.883 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.526 5.365 9.730 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.099 4.279 9.073 1.00 0.00 C ATOM 0 H PHE A 44 -24.323 10.632 6.942 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.768 8.157 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.541 8.278 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.810 8.928 7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.467 5.894 6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.198 7.483 9.698 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.239 3.627 7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -21.987 5.216 10.654 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.002 3.286 9.487 1.00 0.00 H new ATOM 601 N ASN A 45 -25.842 8.191 10.141 1.00 0.00 N ATOM 602 CA ASN A 45 -25.907 8.166 11.627 1.00 0.00 C ATOM 603 C ASN A 45 -24.655 7.446 12.233 1.00 0.00 C ATOM 604 O ASN A 45 -24.588 6.215 12.288 1.00 0.00 O ATOM 605 CB ASN A 45 -27.253 7.505 12.029 1.00 0.00 C ATOM 606 CG ASN A 45 -27.638 7.692 13.493 1.00 0.00 C ATOM 607 OD1 ASN A 45 -28.097 8.748 13.910 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.486 6.695 14.321 1.00 0.00 N ATOM 0 H ASN A 45 -26.411 7.474 9.690 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.879 9.175 12.037 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.046 7.915 11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.197 6.438 11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.748 6.801 15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.105 5.809 13.988 1.00 0.00 H new ATOM 615 N TYR A 46 -23.674 8.236 12.690 1.00 0.00 N ATOM 616 CA TYR A 46 -22.432 7.719 13.326 1.00 0.00 C ATOM 617 C TYR A 46 -22.616 7.356 14.837 1.00 0.00 C ATOM 618 O TYR A 46 -23.455 7.934 15.537 1.00 0.00 O ATOM 619 CB TYR A 46 -21.320 8.798 13.156 1.00 0.00 C ATOM 620 CG TYR A 46 -20.797 9.012 11.727 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.847 8.136 11.197 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.268 10.070 10.941 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.384 8.309 9.898 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.796 10.244 9.642 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.851 9.364 9.121 1.00 0.00 C ATOM 626 OH TYR A 46 -19.336 9.553 7.866 1.00 0.00 O ATOM 0 H TYR A 46 -23.709 9.254 12.634 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.157 6.788 12.831 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.705 9.748 13.526 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.478 8.526 13.792 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.471 7.322 11.798 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -22.000 10.754 11.343 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.658 7.621 9.490 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -21.163 11.061 9.039 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.849 8.749 7.588 1.00 0.00 H new ATOM 636 N SER A 47 -21.779 6.440 15.371 1.00 0.00 N ATOM 637 CA SER A 47 -21.714 6.202 16.845 1.00 0.00 C ATOM 638 C SER A 47 -21.052 7.385 17.628 1.00 0.00 C ATOM 639 O SER A 47 -20.114 8.026 17.140 1.00 0.00 O ATOM 640 CB SER A 47 -21.063 4.828 17.163 1.00 0.00 C ATOM 641 OG SER A 47 -19.632 4.838 17.114 1.00 0.00 O ATOM 0 H SER A 47 -21.146 5.858 14.822 1.00 0.00 H new ATOM 0 HA SER A 47 -22.741 6.163 17.207 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.380 4.508 18.155 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.436 4.088 16.455 1.00 0.00 H new ATOM 0 HG SER A 47 -19.276 4.262 17.823 1.00 0.00 H new ATOM 647 N ASP A 48 -21.521 7.656 18.862 1.00 0.00 N ATOM 648 CA ASP A 48 -20.949 8.726 19.739 1.00 0.00 C ATOM 649 C ASP A 48 -19.383 8.714 19.938 1.00 0.00 C ATOM 650 O ASP A 48 -18.807 9.793 19.772 1.00 0.00 O ATOM 651 CB ASP A 48 -21.719 8.786 21.088 1.00 0.00 C ATOM 652 CG ASP A 48 -23.148 9.326 21.015 1.00 0.00 C ATOM 653 OD1 ASP A 48 -24.020 8.425 20.482 1.00 0.00 O ATOM 654 OD2 ASP A 48 -23.476 10.442 21.404 1.00 0.00 O ATOM 0 H ASP A 48 -22.299 7.151 19.286 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.104 9.652 19.186 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.751 7.782 21.511 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.151 9.406 21.782 1.00 0.00 H new ATOM 659 N PRO A 49 -18.642 7.592 20.197 1.00 0.00 N ATOM 660 CA PRO A 49 -17.151 7.565 20.117 1.00 0.00 C ATOM 661 C PRO A 49 -16.458 7.922 18.765 1.00 0.00 C ATOM 662 O PRO A 49 -15.374 8.505 18.784 1.00 0.00 O ATOM 663 CB PRO A 49 -16.806 6.134 20.572 1.00 0.00 C ATOM 664 CG PRO A 49 -18.052 5.613 21.285 1.00 0.00 C ATOM 665 CD PRO A 49 -19.216 6.290 20.575 1.00 0.00 C ATOM 0 HA PRO A 49 -16.758 8.375 20.732 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.550 5.504 19.720 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -15.944 6.133 21.239 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.123 4.528 21.215 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.035 5.864 22.346 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.546 5.723 19.704 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.081 6.402 21.229 1.00 0.00 H new ATOM 673 N MET A 50 -17.069 7.596 17.610 1.00 0.00 N ATOM 674 CA MET A 50 -16.652 8.156 16.290 1.00 0.00 C ATOM 675 C MET A 50 -16.884 9.698 16.129 1.00 0.00 C ATOM 676 O MET A 50 -15.998 10.397 15.632 1.00 0.00 O ATOM 677 CB MET A 50 -17.361 7.306 15.202 1.00 0.00 C ATOM 678 CG MET A 50 -16.860 7.522 13.762 1.00 0.00 C ATOM 679 SD MET A 50 -15.150 6.981 13.577 1.00 0.00 S ATOM 680 CE MET A 50 -15.390 5.264 13.098 1.00 0.00 C ATOM 0 H MET A 50 -17.855 6.948 17.554 1.00 0.00 H new ATOM 0 HA MET A 50 -15.569 8.081 16.192 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.243 6.252 15.455 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.428 7.524 15.233 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.495 6.972 13.067 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.940 8.577 13.501 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.430 4.748 13.101 1.00 0.00 H new ATOM 0 HE2 MET A 50 -16.065 4.780 13.804 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.821 5.222 12.098 1.00 0.00 H new ATOM 690 N LYS A 51 -18.041 10.226 16.574 1.00 0.00 N ATOM 691 CA LYS A 51 -18.309 11.696 16.622 1.00 0.00 C ATOM 692 C LYS A 51 -17.404 12.492 17.623 1.00 0.00 C ATOM 693 O LYS A 51 -16.841 13.520 17.242 1.00 0.00 O ATOM 694 CB LYS A 51 -19.823 11.943 16.882 1.00 0.00 C ATOM 695 CG LYS A 51 -20.777 11.427 15.775 1.00 0.00 C ATOM 696 CD LYS A 51 -22.268 11.799 15.931 1.00 0.00 C ATOM 697 CE LYS A 51 -23.033 11.075 17.056 1.00 0.00 C ATOM 698 NZ LYS A 51 -22.926 11.794 18.340 1.00 0.00 N ATOM 0 H LYS A 51 -18.819 9.658 16.911 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.036 12.095 15.645 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.095 11.468 17.824 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.984 13.014 17.007 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.427 11.809 14.816 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.698 10.341 15.733 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.337 12.873 16.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.773 11.596 14.987 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -24.083 10.980 16.779 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.641 10.065 17.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.696 11.493 18.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.010 11.578 18.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.996 12.818 18.171 1.00 0.00 H new ATOM 711 N ALA A 52 -17.224 12.010 18.868 1.00 0.00 N ATOM 712 CA ALA A 52 -16.234 12.576 19.825 1.00 0.00 C ATOM 713 C ALA A 52 -14.743 12.084 19.704 1.00 0.00 C ATOM 714 O ALA A 52 -13.983 12.221 20.668 1.00 0.00 O ATOM 715 CB ALA A 52 -16.846 12.285 21.213 1.00 0.00 C ATOM 0 H ALA A 52 -17.753 11.223 19.244 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.096 13.636 19.610 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.184 12.667 21.990 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.818 12.773 21.292 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.969 11.209 21.338 1.00 0.00 H new ATOM 721 N HIS A 53 -14.284 11.584 18.536 1.00 0.00 N ATOM 722 CA HIS A 53 -12.866 11.167 18.329 1.00 0.00 C ATOM 723 C HIS A 53 -11.876 12.367 18.132 1.00 0.00 C ATOM 724 O HIS A 53 -10.919 12.491 18.900 1.00 0.00 O ATOM 725 CB HIS A 53 -12.834 10.120 17.178 1.00 0.00 C ATOM 726 CG HIS A 53 -11.534 9.322 17.077 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.526 9.603 16.165 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.200 8.203 17.861 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.649 8.600 16.492 1.00 0.00 C ATOM 730 NE2 HIS A 53 -9.966 7.706 17.484 1.00 0.00 N ATOM 0 H HIS A 53 -14.873 11.456 17.713 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.492 10.700 19.240 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.662 9.424 17.315 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.003 10.635 16.232 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.818 7.791 18.645 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.708 8.514 15.968 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.443 6.906 17.840 1.00 0.00 H new ATOM 738 N GLY A 54 -12.092 13.227 17.116 1.00 0.00 N ATOM 739 CA GLY A 54 -11.199 14.385 16.840 1.00 0.00 C ATOM 740 C GLY A 54 -9.982 14.061 15.956 1.00 0.00 C ATOM 741 O GLY A 54 -8.898 13.756 16.457 1.00 0.00 O ATOM 0 H GLY A 54 -12.876 13.146 16.469 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.782 15.170 16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.845 14.788 17.789 1.00 0.00 H new ATOM 745 N GLY A 55 -10.171 14.161 14.639 1.00 0.00 N ATOM 746 CA GLY A 55 -9.090 13.888 13.663 1.00 0.00 C ATOM 747 C GLY A 55 -9.523 13.861 12.181 1.00 0.00 C ATOM 748 O GLY A 55 -10.684 14.088 11.823 1.00 0.00 O ATOM 0 H GLY A 55 -11.059 14.428 14.214 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.316 14.646 13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.637 12.928 13.908 1.00 0.00 H new ATOM 752 N ASP A 56 -8.549 13.538 11.319 1.00 0.00 N ATOM 753 CA ASP A 56 -8.784 13.309 9.862 1.00 0.00 C ATOM 754 C ASP A 56 -8.147 11.956 9.408 1.00 0.00 C ATOM 755 O ASP A 56 -7.150 11.478 9.967 1.00 0.00 O ATOM 756 CB ASP A 56 -8.226 14.484 9.014 1.00 0.00 C ATOM 757 CG ASP A 56 -8.955 15.817 9.185 1.00 0.00 C ATOM 758 OD1 ASP A 56 -10.022 15.930 8.350 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.620 16.684 9.985 1.00 0.00 O ATOM 0 H ASP A 56 -7.574 13.425 11.598 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.861 13.257 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.176 14.628 9.269 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.263 14.201 7.962 1.00 0.00 H new ATOM 764 N TRP A 57 -8.712 11.350 8.350 1.00 0.00 N ATOM 765 CA TRP A 57 -8.297 10.001 7.873 1.00 0.00 C ATOM 766 C TRP A 57 -7.027 10.037 6.965 1.00 0.00 C ATOM 767 O TRP A 57 -7.080 9.947 5.735 1.00 0.00 O ATOM 768 CB TRP A 57 -9.513 9.297 7.210 1.00 0.00 C ATOM 769 CG TRP A 57 -10.576 8.743 8.169 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.915 9.178 8.250 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.445 7.769 9.150 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.633 8.472 9.224 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.700 7.626 9.792 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.314 7.052 9.626 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.828 6.796 10.929 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.464 6.241 10.750 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.700 6.124 11.397 1.00 0.00 C ATOM 0 H TRP A 57 -9.462 11.768 7.800 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.987 9.407 8.733 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.994 10.006 6.536 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.142 8.476 6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.336 9.960 7.636 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.621 8.562 9.460 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.359 7.134 9.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.781 6.685 11.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.613 5.694 11.128 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.781 5.501 12.276 1.00 0.00 H new ATOM 788 N THR A 58 -5.868 10.124 7.626 1.00 0.00 N ATOM 789 CA THR A 58 -4.527 9.981 6.990 1.00 0.00 C ATOM 790 C THR A 58 -4.156 8.481 6.681 1.00 0.00 C ATOM 791 O THR A 58 -4.711 7.585 7.331 1.00 0.00 O ATOM 792 CB THR A 58 -3.451 10.646 7.917 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.441 10.072 9.220 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.594 12.168 8.089 1.00 0.00 C ATOM 0 H THR A 58 -5.820 10.297 8.630 1.00 0.00 H new ATOM 0 HA THR A 58 -4.553 10.488 6.025 1.00 0.00 H new ATOM 0 HB THR A 58 -2.517 10.450 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.756 10.512 9.766 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.806 12.536 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.511 12.653 7.117 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.566 12.395 8.526 1.00 0.00 H new ATOM 802 N PRO A 59 -3.203 8.130 5.758 1.00 0.00 N ATOM 803 CA PRO A 59 -2.721 6.720 5.584 1.00 0.00 C ATOM 804 C PRO A 59 -2.261 5.949 6.865 1.00 0.00 C ATOM 805 O PRO A 59 -2.707 4.826 7.107 1.00 0.00 O ATOM 806 CB PRO A 59 -1.615 6.875 4.519 1.00 0.00 C ATOM 807 CG PRO A 59 -1.222 8.353 4.510 1.00 0.00 C ATOM 808 CD PRO A 59 -2.510 9.089 4.871 1.00 0.00 C ATOM 0 HA PRO A 59 -3.543 6.067 5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.757 6.247 4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.975 6.564 3.538 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.431 8.559 5.231 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.849 8.659 3.533 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.307 10.033 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.103 9.322 3.987 1.00 0.00 H new ATOM 816 N GLU A 60 -1.437 6.601 7.702 1.00 0.00 N ATOM 817 CA GLU A 60 -1.154 6.165 9.103 1.00 0.00 C ATOM 818 C GLU A 60 -2.394 5.869 10.024 1.00 0.00 C ATOM 819 O GLU A 60 -2.488 4.763 10.565 1.00 0.00 O ATOM 820 CB GLU A 60 -0.074 7.079 9.745 1.00 0.00 C ATOM 821 CG GLU A 60 -0.463 8.557 9.999 1.00 0.00 C ATOM 822 CD GLU A 60 0.630 9.391 10.662 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.591 9.782 9.774 1.00 0.00 O ATOM 824 OE2 GLU A 60 0.631 9.673 11.856 1.00 0.00 O ATOM 0 H GLU A 60 -0.940 7.451 7.436 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.743 5.159 9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.220 6.638 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.806 7.066 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.729 9.019 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.354 8.583 10.626 1.00 0.00 H new ATOM 831 N ALA A 61 -3.359 6.803 10.159 1.00 0.00 N ATOM 832 CA ALA A 61 -4.645 6.547 10.870 1.00 0.00 C ATOM 833 C ALA A 61 -5.566 5.438 10.257 1.00 0.00 C ATOM 834 O ALA A 61 -6.075 4.593 11.000 1.00 0.00 O ATOM 835 CB ALA A 61 -5.371 7.901 10.986 1.00 0.00 C ATOM 0 H ALA A 61 -3.278 7.749 9.785 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.403 6.126 11.846 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.321 7.761 11.502 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.751 8.599 11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.555 8.302 9.989 1.00 0.00 H new ATOM 841 N LEU A 62 -5.741 5.406 8.921 1.00 0.00 N ATOM 842 CA LEU A 62 -6.414 4.285 8.203 1.00 0.00 C ATOM 843 C LEU A 62 -5.755 2.879 8.397 1.00 0.00 C ATOM 844 O LEU A 62 -6.481 1.941 8.726 1.00 0.00 O ATOM 845 CB LEU A 62 -6.545 4.650 6.694 1.00 0.00 C ATOM 846 CG LEU A 62 -7.554 5.772 6.327 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.291 6.297 4.907 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.014 5.292 6.425 1.00 0.00 C ATOM 0 H LEU A 62 -5.423 6.152 8.302 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.399 4.176 8.657 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.561 4.946 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.828 3.749 6.150 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.407 6.574 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.009 7.082 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.280 6.701 4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.397 5.481 4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.684 6.110 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.170 4.458 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.223 4.968 7.445 1.00 0.00 H new ATOM 860 N GLN A 63 -4.423 2.700 8.247 1.00 0.00 N ATOM 861 CA GLN A 63 -3.752 1.398 8.559 1.00 0.00 C ATOM 862 C GLN A 63 -3.783 0.930 10.057 1.00 0.00 C ATOM 863 O GLN A 63 -3.918 -0.270 10.315 1.00 0.00 O ATOM 864 CB GLN A 63 -2.345 1.332 7.909 1.00 0.00 C ATOM 865 CG GLN A 63 -1.210 2.137 8.588 1.00 0.00 C ATOM 866 CD GLN A 63 0.138 2.120 7.856 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.317 1.572 6.773 1.00 0.00 O ATOM 868 NE2 GLN A 63 1.146 2.723 8.436 1.00 0.00 N ATOM 0 H GLN A 63 -3.789 3.427 7.916 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.381 0.641 8.091 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.040 0.286 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.433 1.677 6.879 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.534 3.172 8.692 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.062 1.746 9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.015 3.184 9.337 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.062 2.732 7.987 1.00 0.00 H new ATOM 877 N GLU A 64 -3.712 1.851 11.037 1.00 0.00 N ATOM 878 CA GLU A 64 -4.071 1.559 12.456 1.00 0.00 C ATOM 879 C GLU A 64 -5.560 1.104 12.651 1.00 0.00 C ATOM 880 O GLU A 64 -5.796 0.016 13.187 1.00 0.00 O ATOM 881 CB GLU A 64 -3.709 2.788 13.339 1.00 0.00 C ATOM 882 CG GLU A 64 -2.196 3.089 13.487 1.00 0.00 C ATOM 883 CD GLU A 64 -1.905 4.331 14.326 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.937 5.477 13.590 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.667 4.301 15.528 1.00 0.00 O ATOM 0 H GLU A 64 -3.408 2.812 10.880 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.483 0.699 12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.196 3.669 12.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.129 2.634 14.333 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.705 2.229 13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.760 3.218 12.496 1.00 0.00 H new ATOM 892 N PHE A 65 -6.553 1.892 12.189 1.00 0.00 N ATOM 893 CA PHE A 65 -7.988 1.501 12.203 1.00 0.00 C ATOM 894 C PHE A 65 -8.358 0.203 11.408 1.00 0.00 C ATOM 895 O PHE A 65 -9.122 -0.610 11.919 1.00 0.00 O ATOM 896 CB PHE A 65 -8.759 2.762 11.730 1.00 0.00 C ATOM 897 CG PHE A 65 -10.292 2.663 11.811 1.00 0.00 C ATOM 898 CD1 PHE A 65 -10.951 2.808 13.038 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.039 2.412 10.656 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.338 2.696 13.106 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.424 2.302 10.732 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.074 2.443 11.953 1.00 0.00 C ATOM 0 H PHE A 65 -6.388 2.818 11.795 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.272 1.198 13.211 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.434 3.613 12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.479 2.973 10.698 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.382 3.007 13.934 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.541 2.303 9.704 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.842 2.806 14.055 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.997 2.106 9.838 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.149 2.356 12.006 1.00 0.00 H new ATOM 912 N LEU A 66 -7.824 -0.034 10.200 1.00 0.00 N ATOM 913 CA LEU A 66 -7.984 -1.345 9.498 1.00 0.00 C ATOM 914 C LEU A 66 -7.154 -2.544 10.082 1.00 0.00 C ATOM 915 O LEU A 66 -7.477 -3.689 9.766 1.00 0.00 O ATOM 916 CB LEU A 66 -7.724 -1.150 7.976 1.00 0.00 C ATOM 917 CG LEU A 66 -8.629 -0.144 7.210 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.160 -0.004 5.751 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.120 -0.522 7.251 1.00 0.00 C ATOM 0 H LEU A 66 -7.278 0.653 9.680 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.015 -1.652 9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.689 -0.832 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.820 -2.122 7.492 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.531 0.813 7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.804 0.704 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.132 0.358 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.212 -0.975 5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.698 0.219 6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.259 -1.503 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.460 -0.550 8.286 1.00 0.00 H new ATOM 931 N THR A 67 -6.147 -2.325 10.955 1.00 0.00 N ATOM 932 CA THR A 67 -5.569 -3.399 11.822 1.00 0.00 C ATOM 933 C THR A 67 -6.570 -3.869 12.939 1.00 0.00 C ATOM 934 O THR A 67 -6.872 -5.062 12.998 1.00 0.00 O ATOM 935 CB THR A 67 -4.178 -2.969 12.391 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.309 -2.510 11.360 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.411 -4.110 13.081 1.00 0.00 C ATOM 0 H THR A 67 -5.709 -1.413 11.085 1.00 0.00 H new ATOM 0 HA THR A 67 -5.401 -4.276 11.196 1.00 0.00 H new ATOM 0 HB THR A 67 -4.424 -2.188 13.110 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.762 -1.818 10.834 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.456 -3.736 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.999 -4.490 13.916 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.234 -4.914 12.366 1.00 0.00 H new ATOM 945 N ASN A 68 -7.084 -2.965 13.803 1.00 0.00 N ATOM 946 CA ASN A 68 -8.205 -3.283 14.733 1.00 0.00 C ATOM 947 C ASN A 68 -9.128 -2.016 14.877 1.00 0.00 C ATOM 948 O ASN A 68 -8.730 -1.081 15.588 1.00 0.00 O ATOM 949 CB ASN A 68 -7.652 -3.807 16.088 1.00 0.00 C ATOM 950 CG ASN A 68 -8.712 -4.371 17.051 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.824 -3.871 17.190 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.400 -5.414 17.780 1.00 0.00 N ATOM 0 H ASN A 68 -6.744 -2.007 13.880 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.821 -4.088 14.332 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.916 -4.585 15.886 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.126 -2.993 16.587 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.075 -5.792 18.444 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.482 -5.848 17.683 1.00 0.00 H new ATOM 959 N PRO A 69 -10.355 -1.936 14.277 1.00 0.00 N ATOM 960 CA PRO A 69 -11.199 -0.709 14.362 1.00 0.00 C ATOM 961 C PRO A 69 -11.861 -0.397 15.739 1.00 0.00 C ATOM 962 O PRO A 69 -11.902 0.771 16.136 1.00 0.00 O ATOM 963 CB PRO A 69 -12.177 -0.865 13.182 1.00 0.00 C ATOM 964 CG PRO A 69 -12.160 -2.336 12.772 1.00 0.00 C ATOM 965 CD PRO A 69 -10.853 -2.925 13.299 1.00 0.00 C ATOM 0 HA PRO A 69 -10.586 0.189 14.287 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.182 -0.558 13.472 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.878 -0.230 12.348 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.018 -2.864 13.189 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.220 -2.436 11.688 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.018 -3.895 13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.136 -3.078 12.493 1.00 0.00 H new ATOM 973 N LYS A 70 -12.335 -1.421 16.473 1.00 0.00 N ATOM 974 CA LYS A 70 -12.826 -1.265 17.877 1.00 0.00 C ATOM 975 C LYS A 70 -11.758 -0.986 18.990 1.00 0.00 C ATOM 976 O LYS A 70 -12.115 -0.434 20.033 1.00 0.00 O ATOM 977 CB LYS A 70 -13.754 -2.463 18.226 1.00 0.00 C ATOM 978 CG LYS A 70 -15.097 -2.495 17.454 1.00 0.00 C ATOM 979 CD LYS A 70 -15.981 -3.700 17.826 1.00 0.00 C ATOM 980 CE LYS A 70 -17.296 -3.706 17.030 1.00 0.00 C ATOM 981 NZ LYS A 70 -18.116 -4.873 17.407 1.00 0.00 N ATOM 0 H LYS A 70 -12.393 -2.377 16.123 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.382 -0.327 17.883 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.216 -3.390 18.028 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.967 -2.440 19.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.646 -1.575 17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.893 -2.519 16.384 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -15.436 -4.624 17.635 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.201 -3.674 18.893 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.849 -2.787 17.222 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.082 -3.733 15.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.002 -4.865 16.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.591 -5.747 17.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.334 -4.830 18.423 1.00 0.00 H new ATOM 994 N ALA A 71 -10.470 -1.299 18.775 1.00 0.00 N ATOM 995 CA ALA A 71 -9.356 -0.731 19.585 1.00 0.00 C ATOM 996 C ALA A 71 -9.031 0.779 19.314 1.00 0.00 C ATOM 997 O ALA A 71 -8.878 1.541 20.271 1.00 0.00 O ATOM 998 CB ALA A 71 -8.128 -1.637 19.381 1.00 0.00 C ATOM 0 H ALA A 71 -10.164 -1.944 18.047 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.672 -0.723 20.628 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.290 -1.250 19.961 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.363 -2.648 19.713 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.860 -1.655 18.325 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.933 1.219 18.041 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.680 2.655 17.683 1.00 0.00 C ATOM 1006 C VAL A 72 -9.896 3.601 17.987 1.00 0.00 C ATOM 1007 O VAL A 72 -9.701 4.644 18.619 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.135 2.758 16.212 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.953 4.206 15.689 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.771 2.053 16.028 1.00 0.00 C ATOM 0 H VAL A 72 -9.024 0.606 17.231 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.899 3.033 18.343 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.918 2.263 15.637 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.574 4.179 14.667 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.913 4.722 15.706 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.244 4.736 16.325 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.444 2.157 14.993 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.034 2.509 16.689 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.872 0.996 16.272 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.120 3.269 17.534 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.355 4.015 17.918 1.00 0.00 C ATOM 1022 C VAL A 73 -13.138 3.091 18.909 1.00 0.00 C ATOM 1023 O VAL A 73 -13.827 2.151 18.493 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.176 4.445 16.655 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.461 5.219 17.023 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.400 5.328 15.647 1.00 0.00 C ATOM 0 H VAL A 73 -11.290 2.489 16.900 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.127 4.958 18.415 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.408 3.490 16.183 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.993 5.494 16.113 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.101 4.589 17.641 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.197 6.121 17.575 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.048 5.576 14.806 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.078 6.245 16.140 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.527 4.785 15.284 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.026 3.361 20.224 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.589 2.473 21.281 1.00 0.00 C ATOM 1038 C LYS A 74 -15.143 2.605 21.402 1.00 0.00 C ATOM 1039 O LYS A 74 -15.668 3.553 21.990 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.816 2.767 22.595 1.00 0.00 C ATOM 1041 CG LYS A 74 -13.087 1.761 23.740 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.272 2.021 25.024 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.729 3.258 25.818 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.935 3.394 27.053 1.00 0.00 N ATOM 0 H LYS A 74 -12.551 4.187 20.589 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.447 1.424 21.022 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.748 2.773 22.379 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.077 3.768 22.939 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.148 1.787 23.987 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.868 0.755 23.383 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.339 1.144 25.668 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.222 2.141 24.757 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.618 4.153 25.206 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.787 3.170 26.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.253 4.232 27.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.062 2.546 27.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.929 3.499 26.809 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.861 1.647 20.797 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.313 1.795 20.493 1.00 0.00 C ATOM 1059 C GLY A 75 -17.688 2.393 19.108 1.00 0.00 C ATOM 1060 O GLY A 75 -18.662 3.144 18.979 1.00 0.00 O ATOM 0 H GLY A 75 -15.467 0.753 20.503 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.778 0.812 20.574 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.758 2.423 21.265 1.00 0.00 H new ATOM 1064 N THR A 76 -16.979 1.977 18.048 1.00 0.00 N ATOM 1065 CA THR A 76 -17.473 2.085 16.647 1.00 0.00 C ATOM 1066 C THR A 76 -18.552 0.998 16.332 1.00 0.00 C ATOM 1067 O THR A 76 -18.369 -0.185 16.638 1.00 0.00 O ATOM 1068 CB THR A 76 -16.283 2.059 15.635 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.757 2.241 14.310 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.408 0.797 15.578 1.00 0.00 C ATOM 0 H THR A 76 -16.052 1.558 18.125 1.00 0.00 H new ATOM 0 HA THR A 76 -17.969 3.049 16.535 1.00 0.00 H new ATOM 0 HB THR A 76 -15.657 2.864 16.020 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.001 2.224 13.687 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.626 0.930 14.830 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.952 0.626 16.553 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.024 -0.061 15.310 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.642 1.379 15.641 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.582 0.387 15.023 1.00 0.00 C ATOM 1080 C LYS A 77 -20.063 -0.449 13.789 1.00 0.00 C ATOM 1081 O LYS A 77 -20.837 -1.222 13.216 1.00 0.00 O ATOM 1082 CB LYS A 77 -21.948 1.083 14.750 1.00 0.00 C ATOM 1083 CG LYS A 77 -21.963 2.215 13.691 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.356 2.684 13.231 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.167 3.391 14.328 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.415 3.927 13.758 1.00 0.00 N ATOM 0 H LYS A 77 -19.904 2.353 15.490 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.689 -0.403 15.767 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.661 0.319 14.439 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.312 1.495 15.691 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.427 3.073 14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.407 1.876 12.817 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -23.240 3.361 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.920 1.822 12.874 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -24.395 2.692 15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.579 4.199 14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -26.070 4.174 14.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.203 4.777 13.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.854 3.209 13.147 1.00 0.00 H new ATOM 1099 N MET A 78 -18.776 -0.345 13.396 1.00 0.00 N ATOM 1100 CA MET A 78 -18.183 -1.169 12.315 1.00 0.00 C ATOM 1101 C MET A 78 -17.878 -2.627 12.787 1.00 0.00 C ATOM 1102 O MET A 78 -16.919 -2.872 13.527 1.00 0.00 O ATOM 1103 CB MET A 78 -16.937 -0.428 11.757 1.00 0.00 C ATOM 1104 CG MET A 78 -16.305 -1.141 10.546 1.00 0.00 C ATOM 1105 SD MET A 78 -15.555 0.044 9.362 1.00 0.00 S ATOM 1106 CE MET A 78 -13.858 -0.628 9.464 1.00 0.00 C ATOM 0 H MET A 78 -18.118 0.311 13.817 1.00 0.00 H new ATOM 0 HA MET A 78 -18.903 -1.289 11.505 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.222 0.584 11.468 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.192 -0.336 12.547 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.542 -1.838 10.893 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.066 -1.731 10.035 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.200 -0.054 8.812 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.501 -0.559 10.491 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.860 -1.672 9.150 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.672 -3.596 12.297 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.429 -5.040 12.549 1.00 0.00 C ATOM 1118 C ALA A 79 -17.324 -5.628 11.608 1.00 0.00 C ATOM 1119 O ALA A 79 -17.595 -6.263 10.584 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.797 -5.740 12.435 1.00 0.00 C ATOM 0 H ALA A 79 -19.493 -3.410 11.721 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.021 -5.208 13.546 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.675 -6.809 12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.481 -5.325 13.176 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.204 -5.582 11.436 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.059 -5.377 11.981 1.00 0.00 N ATOM 1127 CA PHE A 80 -14.869 -5.780 11.190 1.00 0.00 C ATOM 1128 C PHE A 80 -13.720 -6.140 12.183 1.00 0.00 C ATOM 1129 O PHE A 80 -13.356 -5.336 13.048 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.494 -4.619 10.221 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.461 -4.990 9.145 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.886 -5.570 7.946 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.094 -4.782 9.360 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.958 -5.949 6.981 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.166 -5.168 8.396 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.597 -5.766 7.215 1.00 0.00 C ATOM 0 H PHE A 80 -15.824 -4.886 12.844 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.065 -6.660 10.577 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.401 -4.267 9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.105 -3.786 10.807 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.940 -5.725 7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.757 -4.321 10.277 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.293 -6.385 6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.112 -5.003 8.565 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.875 -6.088 6.479 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.125 -7.336 12.046 1.00 0.00 N ATOM 1147 CA ALA A 81 -11.994 -7.767 12.912 1.00 0.00 C ATOM 1148 C ALA A 81 -10.626 -7.090 12.573 1.00 0.00 C ATOM 1149 O ALA A 81 -10.054 -6.415 13.434 1.00 0.00 O ATOM 1150 CB ALA A 81 -11.959 -9.309 12.883 1.00 0.00 C ATOM 0 H ALA A 81 -13.401 -8.027 11.348 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.166 -7.422 13.931 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.141 -9.666 13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.903 -9.702 13.262 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.809 -9.650 11.859 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.109 -7.260 11.343 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.803 -6.678 10.952 1.00 0.00 C ATOM 1158 C GLY A 82 -8.215 -7.204 9.626 1.00 0.00 C ATOM 1159 O GLY A 82 -8.413 -8.358 9.236 1.00 0.00 O ATOM 0 H GLY A 82 -10.569 -7.791 10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.914 -5.596 10.877 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.085 -6.870 11.750 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.408 -6.356 8.979 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.485 -6.773 7.889 1.00 0.00 C ATOM 1165 C LEU A 83 -5.051 -6.980 8.505 1.00 0.00 C ATOM 1166 O LEU A 83 -4.363 -5.971 8.720 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.473 -5.694 6.765 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.753 -5.492 5.915 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.563 -4.304 4.956 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.142 -6.738 5.098 1.00 0.00 C ATOM 0 H LEU A 83 -7.368 -5.358 9.188 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.817 -7.710 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.229 -4.738 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.658 -5.936 6.083 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.563 -5.298 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.467 -4.168 4.362 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.368 -3.399 5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.720 -4.502 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.046 -6.530 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.331 -6.993 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.325 -7.574 5.774 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.545 -8.214 8.817 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.232 -8.396 9.509 1.00 0.00 C ATOM 1184 C PRO A 84 -1.928 -8.086 8.701 1.00 0.00 C ATOM 1185 O PRO A 84 -0.966 -7.579 9.287 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.327 -9.850 10.013 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.273 -10.553 9.038 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.298 -9.479 8.673 1.00 0.00 C ATOM 0 HA PRO A 84 -3.104 -7.648 10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.347 -10.327 10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.712 -9.889 11.032 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.742 -10.913 8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -4.749 -11.418 9.499 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.671 -9.610 7.657 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.163 -9.508 9.336 1.00 0.00 H new ATOM 1196 N LYS A 85 -1.897 -8.333 7.380 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.732 -8.010 6.516 1.00 0.00 C ATOM 1198 C LYS A 85 -0.692 -6.495 6.134 1.00 0.00 C ATOM 1199 O LYS A 85 -1.651 -5.935 5.588 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.785 -8.894 5.240 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.557 -10.408 5.465 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.583 -11.205 4.148 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.356 -12.707 4.377 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.404 -13.428 3.091 1.00 0.00 N ATOM 0 H LYS A 85 -2.673 -8.761 6.875 1.00 0.00 H new ATOM 0 HA LYS A 85 0.180 -8.220 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.757 -8.758 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.034 -8.532 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.403 -10.559 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.325 -10.793 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.542 -11.055 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.185 -10.821 3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.609 -12.868 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.117 -13.099 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.249 -14.443 3.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.335 -13.287 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.338 -13.063 2.460 1.00 0.00 H new ATOM 1217 N ILE A 86 0.469 -5.858 6.365 1.00 0.00 N ATOM 1218 CA ILE A 86 0.789 -4.492 5.835 1.00 0.00 C ATOM 1219 C ILE A 86 0.582 -4.276 4.296 1.00 0.00 C ATOM 1220 O ILE A 86 0.001 -3.262 3.907 1.00 0.00 O ATOM 1221 CB ILE A 86 2.197 -4.039 6.355 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.559 -2.555 6.061 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.373 -4.928 5.865 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.659 -1.501 6.727 1.00 0.00 C ATOM 0 H ILE A 86 1.221 -6.263 6.922 1.00 0.00 H new ATOM 0 HA ILE A 86 0.029 -3.826 6.243 1.00 0.00 H new ATOM 0 HB ILE A 86 2.079 -4.159 7.432 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.587 -2.382 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.530 -2.401 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.311 -4.547 6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.221 -5.952 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.414 -4.910 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.003 -0.504 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.631 -1.635 6.391 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.704 -1.616 7.810 1.00 0.00 H new ATOM 1236 N GLU A 87 1.005 -5.229 3.442 1.00 0.00 N ATOM 1237 CA GLU A 87 0.710 -5.212 1.979 1.00 0.00 C ATOM 1238 C GLU A 87 -0.809 -5.133 1.603 1.00 0.00 C ATOM 1239 O GLU A 87 -1.171 -4.275 0.798 1.00 0.00 O ATOM 1240 CB GLU A 87 1.408 -6.410 1.279 1.00 0.00 C ATOM 1241 CG GLU A 87 2.957 -6.366 1.280 1.00 0.00 C ATOM 1242 CD GLU A 87 3.598 -7.517 0.512 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.865 -8.606 1.010 1.00 0.00 O ATOM 1244 OE2 GLU A 87 3.840 -7.201 -0.791 1.00 0.00 O ATOM 0 H GLU A 87 1.559 -6.033 3.737 1.00 0.00 H new ATOM 0 HA GLU A 87 1.123 -4.274 1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.087 -7.331 1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.063 -6.458 0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.286 -5.422 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.313 -6.384 2.310 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.701 -5.946 2.211 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.182 -5.766 2.083 1.00 0.00 C ATOM 1253 C ASP A 88 -3.737 -4.368 2.525 1.00 0.00 C ATOM 1254 O ASP A 88 -4.548 -3.787 1.799 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.917 -6.916 2.827 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.788 -8.294 2.176 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.872 -9.071 2.423 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.800 -8.548 1.293 1.00 0.00 O ATOM 0 H ASP A 88 -1.431 -6.736 2.797 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.387 -5.806 1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.532 -6.974 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.975 -6.663 2.900 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.280 -3.817 3.667 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.573 -2.411 4.074 1.00 0.00 C ATOM 1265 C ARG A 89 -3.025 -1.318 3.091 1.00 0.00 C ATOM 1266 O ARG A 89 -3.810 -0.499 2.609 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.087 -2.165 5.533 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.663 -3.117 6.613 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.461 -2.671 8.073 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.027 -2.639 8.491 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.367 -3.638 9.076 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.873 -4.822 9.284 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.143 -3.431 9.462 1.00 0.00 N ATOM 0 H ARG A 89 -2.700 -4.323 4.336 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.656 -2.301 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.000 -2.244 5.551 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.337 -1.141 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.731 -3.236 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.207 -4.099 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.892 -1.679 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.008 -3.346 8.730 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.509 -1.779 8.313 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.829 -5.026 8.993 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.313 -5.543 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.291 -2.520 9.315 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.383 -4.180 9.912 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.716 -1.323 2.765 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.117 -0.425 1.740 1.00 0.00 C ATOM 1289 C ALA A 90 -1.708 -0.513 0.293 1.00 0.00 C ATOM 1290 O ALA A 90 -1.977 0.532 -0.304 1.00 0.00 O ATOM 1291 CB ALA A 90 0.402 -0.685 1.766 1.00 0.00 C ATOM 0 H ALA A 90 -1.039 -1.948 3.202 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.371 0.600 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.893 -0.049 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.793 -0.459 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.596 -1.731 1.529 1.00 0.00 H new ATOM 1297 N ASN A 91 -1.955 -1.721 -0.254 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.735 -1.909 -1.516 1.00 0.00 C ATOM 1299 C ASN A 91 -4.176 -1.298 -1.490 1.00 0.00 C ATOM 1300 O ASN A 91 -4.515 -0.515 -2.382 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.764 -3.420 -1.892 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.436 -4.063 -2.315 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.457 -3.413 -2.658 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.356 -5.370 -2.326 1.00 0.00 N ATOM 0 H ASN A 91 -1.626 -2.595 0.156 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.214 -1.343 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.150 -3.974 -1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.478 -3.552 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.491 -5.826 -2.616 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.159 -5.932 -2.044 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.003 -1.604 -0.467 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.320 -0.930 -0.259 1.00 0.00 C ATOM 1313 C LEU A 92 -6.236 0.625 -0.077 1.00 0.00 C ATOM 1314 O LEU A 92 -6.965 1.345 -0.759 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.065 -1.652 0.902 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.617 -1.662 0.848 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.159 -2.529 1.989 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -9.273 -0.278 0.955 1.00 0.00 C ATOM 0 H LEU A 92 -4.788 -2.314 0.233 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.900 -1.028 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.721 -2.686 0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.762 -1.186 1.840 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.870 -2.058 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.248 -2.538 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.784 -3.547 1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.830 -2.120 2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.357 -0.384 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.995 0.184 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.934 0.350 0.131 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.329 1.156 0.766 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.080 2.627 0.899 1.00 0.00 C ATOM 1332 C ILE A 93 -4.579 3.319 -0.424 1.00 0.00 C ATOM 1333 O ILE A 93 -5.074 4.405 -0.727 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.212 2.871 2.185 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.984 2.500 3.493 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.680 4.323 2.322 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.102 2.271 4.728 1.00 0.00 C ATOM 0 H ILE A 93 -4.743 0.588 1.378 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.026 3.147 1.047 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.355 2.210 2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.694 3.297 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.566 1.597 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.091 4.410 3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.055 4.564 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.520 5.016 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.730 2.019 5.582 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.409 1.452 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.539 3.179 4.946 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.694 2.709 -1.243 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.493 3.124 -2.665 1.00 0.00 C ATOM 1351 C ALA A 94 -4.775 3.186 -3.565 1.00 0.00 C ATOM 1352 O ALA A 94 -4.952 4.162 -4.299 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.414 2.208 -3.269 1.00 0.00 C ATOM 0 H ALA A 94 -3.105 1.929 -0.952 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.179 4.167 -2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.243 2.485 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.487 2.318 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.747 1.171 -3.220 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.687 2.194 -3.486 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.048 2.301 -4.090 1.00 0.00 C ATOM 1361 C TYR A 95 -7.961 3.428 -3.484 1.00 0.00 C ATOM 1362 O TYR A 95 -8.593 4.151 -4.254 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.692 0.887 -4.068 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.032 0.762 -4.809 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.070 0.805 -6.206 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.225 0.628 -4.092 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.288 0.725 -6.877 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.441 0.541 -4.766 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.470 0.590 -6.158 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.654 0.489 -6.835 1.00 0.00 O ATOM 0 H TYR A 95 -5.513 1.308 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.941 2.640 -5.120 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.988 0.179 -4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.841 0.590 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.152 0.901 -6.767 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.204 0.592 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.314 0.768 -7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.361 0.436 -4.210 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.284 -0.052 -6.314 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.007 3.622 -2.151 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.629 4.829 -1.519 1.00 0.00 C ATOM 1382 C LEU A 96 -7.996 6.216 -1.909 1.00 0.00 C ATOM 1383 O LEU A 96 -8.733 7.194 -2.030 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.686 4.673 0.030 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.372 3.422 0.642 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.251 3.435 2.176 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.846 3.267 0.227 1.00 0.00 C ATOM 0 H LEU A 96 -7.621 2.960 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.635 4.861 -1.937 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.661 4.699 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.191 5.552 0.430 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.843 2.558 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.738 2.550 2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.198 3.434 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.731 4.330 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.262 2.373 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.410 4.141 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.911 3.177 -0.857 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.669 6.310 -2.133 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.021 7.476 -2.813 1.00 0.00 C ATOM 1401 C GLU A 97 -6.413 7.682 -4.322 1.00 0.00 C ATOM 1402 O GLU A 97 -6.581 8.825 -4.748 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.479 7.374 -2.640 1.00 0.00 C ATOM 1404 CG GLU A 97 -3.961 7.580 -1.194 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.458 7.379 -1.030 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.110 6.062 -0.991 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.651 8.297 -0.927 1.00 0.00 O ATOM 0 H GLU A 97 -6.008 5.586 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.408 8.368 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.155 6.393 -2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.007 8.114 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.218 8.588 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.482 6.889 -0.532 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.597 6.612 -5.124 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.345 6.698 -6.416 1.00 0.00 C ATOM 1416 C GLY A 98 -8.846 7.100 -6.356 1.00 0.00 C ATOM 1417 O GLY A 98 -9.298 7.913 -7.162 1.00 0.00 O ATOM 0 H GLY A 98 -6.244 5.679 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.831 7.416 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.277 5.728 -6.908 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.610 6.543 -5.406 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.011 6.962 -5.104 1.00 0.00 C ATOM 1423 C GLN A 99 -11.066 8.116 -4.037 1.00 0.00 C ATOM 1424 O GLN A 99 -11.622 7.969 -2.942 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.789 5.689 -4.652 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.898 4.494 -5.641 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.751 4.746 -6.887 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.951 4.498 -6.917 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.165 5.241 -7.951 1.00 0.00 N ATOM 0 H GLN A 99 -9.282 5.781 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.480 7.384 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.321 5.322 -3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.802 5.995 -4.390 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.893 4.216 -5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.311 3.639 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.167 5.450 -7.933 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.708 5.417 -8.797 1.00 0.00 H new