USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 445 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 33 CYS SG : rot -107:sc= 0.144 USER MOD Set 1.2: A 36 CYS SG : rot 66:sc= -0.247 USER MOD Set 1.3: A 56 CYS SG : rot -137:sc= -4.2! USER MOD Set 2.1: A 6 CYS SG : rot -112:sc= 2.2 USER MOD Set 2.2: A 9 CYS SG : rot -160:sc= -1.97! USER MOD Set 2.3: A 11 GLN : amide:sc= 0.207 X(o=-1.8,f=-2.3) USER MOD Set 2.4: A 27 HIS : no HE2:sc= -2.01! K(o=-1.8!,f=-2.5) USER MOD Set 2.5: A 30 CYS SG : rot -172:sc= -0.269 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.0196 X(o=-0.02,f=-0.029) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.854 K(o=-0.85,f=-0.13) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.05 (180deg=0.264) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 102 ASN : amide:sc= 0.349 K(o=0.35,f=-3.3!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 21 N LEU A 3 -16.260 -7.751 -5.021 1.00 0.00 N ATOM 22 CA LEU A 3 -16.107 -7.586 -6.461 1.00 0.00 C ATOM 23 C LEU A 3 -14.638 -7.661 -6.859 1.00 0.00 C ATOM 24 O LEU A 3 -14.270 -8.364 -7.801 1.00 0.00 O ATOM 25 CB LEU A 3 -16.689 -6.245 -6.908 1.00 0.00 C ATOM 26 CG LEU A 3 -18.092 -5.934 -6.385 1.00 0.00 C ATOM 27 CD1 LEU A 3 -18.513 -4.530 -6.789 1.00 0.00 C ATOM 28 CD2 LEU A 3 -19.088 -6.961 -6.897 1.00 0.00 C ATOM 0 HA LEU A 3 -16.648 -8.395 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.015 -5.450 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -16.712 -6.223 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 3 -18.075 -5.985 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -19.514 -4.326 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.812 -3.806 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -18.515 -4.449 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -20.082 -6.726 -6.516 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -19.103 -6.941 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -18.794 -7.954 -6.556 1.00 0.00 H new ATOM 40 N LEU A 4 -13.810 -6.903 -6.156 1.00 0.00 N ATOM 41 CA LEU A 4 -12.385 -6.845 -6.463 1.00 0.00 C ATOM 42 C LEU A 4 -11.639 -8.017 -5.852 1.00 0.00 C ATOM 43 O LEU A 4 -11.980 -8.502 -4.769 1.00 0.00 O ATOM 44 CB LEU A 4 -11.758 -5.548 -5.958 1.00 0.00 C ATOM 45 CG LEU A 4 -12.627 -4.301 -6.075 1.00 0.00 C ATOM 46 CD1 LEU A 4 -12.454 -3.424 -4.848 1.00 0.00 C ATOM 47 CD2 LEU A 4 -12.272 -3.537 -7.339 1.00 0.00 C ATOM 0 H LEU A 4 -14.098 -6.320 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.299 -6.888 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.486 -5.682 -4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.833 -5.376 -6.508 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.673 -4.600 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.080 -2.537 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.748 -3.981 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.410 -3.124 -4.760 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.898 -2.648 -7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.224 -3.241 -7.303 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.440 -4.173 -8.208 1.00 0.00 H new ATOM 59 N THR A 5 -10.553 -8.382 -6.500 1.00 0.00 N ATOM 60 CA THR A 5 -9.668 -9.414 -6.005 1.00 0.00 C ATOM 61 C THR A 5 -8.228 -8.919 -6.029 1.00 0.00 C ATOM 62 O THR A 5 -7.831 -8.203 -6.948 1.00 0.00 O ATOM 63 CB THR A 5 -9.789 -10.700 -6.839 1.00 0.00 C ATOM 64 OG1 THR A 5 -10.583 -10.456 -8.013 1.00 0.00 O ATOM 65 CG2 THR A 5 -10.427 -11.795 -6.007 1.00 0.00 C ATOM 0 H THR A 5 -10.259 -7.971 -7.386 1.00 0.00 H new ATOM 0 HA THR A 5 -9.959 -9.644 -4.980 1.00 0.00 H new ATOM 0 HB THR A 5 -8.792 -11.016 -7.146 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.653 -11.281 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.510 -12.704 -6.603 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.810 -11.992 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.420 -11.478 -5.688 1.00 0.00 H new ATOM 73 N CYS A 6 -7.499 -9.191 -4.958 1.00 0.00 N ATOM 74 CA CYS A 6 -6.151 -8.670 -4.801 1.00 0.00 C ATOM 75 C CYS A 6 -5.131 -9.618 -5.416 1.00 0.00 C ATOM 76 O CYS A 6 -5.274 -10.840 -5.336 1.00 0.00 O ATOM 77 CB CYS A 6 -5.882 -8.410 -3.313 1.00 0.00 C ATOM 78 SG CYS A 6 -4.299 -9.024 -2.653 1.00 0.00 S ATOM 0 H CYS A 6 -7.820 -9.771 -4.183 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.056 -7.724 -5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.929 -7.335 -3.141 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.690 -8.861 -2.737 1.00 0.00 H new ATOM 0 HG CYS A 6 -4.524 -9.994 -1.817 1.00 0.00 H new ATOM 83 N GLY A 7 -4.148 -9.049 -6.097 1.00 0.00 N ATOM 84 CA GLY A 7 -3.155 -9.848 -6.790 1.00 0.00 C ATOM 85 C GLY A 7 -2.135 -10.460 -5.853 1.00 0.00 C ATOM 86 O GLY A 7 -1.236 -11.182 -6.287 1.00 0.00 O ATOM 0 H GLY A 7 -4.019 -8.041 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.656 -10.643 -7.343 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.641 -9.225 -7.522 1.00 0.00 H new ATOM 90 N GLY A 8 -2.251 -10.149 -4.572 1.00 0.00 N ATOM 91 CA GLY A 8 -1.311 -10.656 -3.603 1.00 0.00 C ATOM 92 C GLY A 8 -1.792 -11.915 -2.912 1.00 0.00 C ATOM 93 O GLY A 8 -0.988 -12.790 -2.584 1.00 0.00 O ATOM 0 H GLY A 8 -2.983 -9.552 -4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.362 -10.861 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.120 -9.888 -2.854 1.00 0.00 H new ATOM 97 N CYS A 9 -3.086 -11.991 -2.638 1.00 0.00 N ATOM 98 CA CYS A 9 -3.640 -13.142 -1.940 1.00 0.00 C ATOM 99 C CYS A 9 -4.866 -13.697 -2.664 1.00 0.00 C ATOM 100 O CYS A 9 -5.147 -14.891 -2.589 1.00 0.00 O ATOM 101 CB CYS A 9 -3.993 -12.764 -0.497 1.00 0.00 C ATOM 102 SG CYS A 9 -5.435 -11.664 -0.337 1.00 0.00 S ATOM 0 H CYS A 9 -3.768 -11.275 -2.886 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.882 -13.925 -1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.183 -13.676 0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.130 -12.280 -0.040 1.00 0.00 H new ATOM 0 HG CYS A 9 -5.404 -11.074 0.821 1.00 0.00 H new ATOM 107 N GLN A 10 -5.583 -12.819 -3.362 1.00 0.00 N ATOM 108 CA GLN A 10 -6.781 -13.192 -4.118 1.00 0.00 C ATOM 109 C GLN A 10 -7.889 -13.702 -3.202 1.00 0.00 C ATOM 110 O GLN A 10 -8.757 -14.460 -3.628 1.00 0.00 O ATOM 111 CB GLN A 10 -6.460 -14.235 -5.194 1.00 0.00 C ATOM 112 CG GLN A 10 -7.213 -14.012 -6.499 1.00 0.00 C ATOM 113 CD GLN A 10 -6.519 -14.636 -7.693 1.00 0.00 C ATOM 114 OE1 GLN A 10 -6.417 -15.857 -7.800 1.00 0.00 O ATOM 115 NE2 GLN A 10 -6.032 -13.803 -8.597 1.00 0.00 N ATOM 0 H GLN A 10 -5.351 -11.827 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.139 -12.288 -4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.389 -14.221 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.699 -15.227 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.216 -14.428 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.326 -12.941 -6.669 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.137 -12.796 -8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.551 -14.167 -9.420 1.00 0.00 H new ATOM 124 N GLN A 11 -7.874 -13.268 -1.948 1.00 0.00 N ATOM 125 CA GLN A 11 -8.904 -13.670 -0.996 1.00 0.00 C ATOM 126 C GLN A 11 -10.104 -12.722 -1.062 1.00 0.00 C ATOM 127 O GLN A 11 -10.967 -12.740 -0.182 1.00 0.00 O ATOM 128 CB GLN A 11 -8.331 -13.709 0.422 1.00 0.00 C ATOM 129 CG GLN A 11 -8.280 -12.351 1.104 1.00 0.00 C ATOM 130 CD GLN A 11 -7.798 -12.443 2.531 1.00 0.00 C ATOM 131 OE1 GLN A 11 -8.574 -12.276 3.471 1.00 0.00 O ATOM 132 NE2 GLN A 11 -6.516 -12.711 2.701 1.00 0.00 N ATOM 0 H GLN A 11 -7.165 -12.641 -1.567 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.245 -14.670 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.933 -14.386 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.324 -14.124 0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.620 -11.690 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.273 -11.901 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.910 -12.842 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.131 -12.787 3.643 1.00 0.00 H new ATOM 141 N ASN A 12 -10.144 -11.918 -2.129 1.00 0.00 N ATOM 142 CA ASN A 12 -11.226 -10.957 -2.378 1.00 0.00 C ATOM 143 C ASN A 12 -11.121 -9.747 -1.454 1.00 0.00 C ATOM 144 O ASN A 12 -10.931 -9.885 -0.242 1.00 0.00 O ATOM 145 CB ASN A 12 -12.602 -11.613 -2.233 1.00 0.00 C ATOM 146 CG ASN A 12 -13.239 -11.919 -3.572 1.00 0.00 C ATOM 147 OD1 ASN A 12 -13.026 -12.987 -4.145 1.00 0.00 O ATOM 148 ND2 ASN A 12 -14.018 -10.982 -4.083 1.00 0.00 N ATOM 0 H ASN A 12 -9.422 -11.915 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.116 -10.614 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -12.503 -12.536 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -13.258 -10.954 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -14.469 -11.130 -4.986 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -14.168 -10.110 -3.575 1.00 0.00 H new ATOM 155 N ILE A 13 -11.216 -8.557 -2.034 1.00 0.00 N ATOM 156 CA ILE A 13 -11.113 -7.327 -1.257 1.00 0.00 C ATOM 157 C ILE A 13 -12.490 -6.765 -0.923 1.00 0.00 C ATOM 158 O ILE A 13 -13.149 -6.147 -1.763 1.00 0.00 O ATOM 159 CB ILE A 13 -10.301 -6.246 -1.987 1.00 0.00 C ATOM 160 CG1 ILE A 13 -9.123 -6.869 -2.732 1.00 0.00 C ATOM 161 CG2 ILE A 13 -9.807 -5.194 -1.007 1.00 0.00 C ATOM 162 CD1 ILE A 13 -8.760 -6.130 -3.997 1.00 0.00 C ATOM 0 H ILE A 13 -11.363 -8.417 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.593 -7.594 -0.337 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.954 -5.763 -2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.256 -6.893 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.364 -7.903 -2.980 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.234 -4.437 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.660 -4.724 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.172 -5.665 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.916 -6.624 -4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.613 -6.128 -4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.488 -5.103 -3.753 1.00 0.00 H new ATOM 174 N GLY A 14 -12.878 -6.923 0.331 1.00 0.00 N ATOM 175 CA GLY A 14 -14.135 -6.386 0.806 1.00 0.00 C ATOM 176 C GLY A 14 -13.925 -5.453 1.972 1.00 0.00 C ATOM 177 O GLY A 14 -14.734 -5.393 2.898 1.00 0.00 O ATOM 0 H GLY A 14 -12.337 -7.421 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.635 -5.854 -0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.793 -7.203 1.104 1.00 0.00 H new ATOM 181 N ASP A 15 -12.797 -4.770 1.944 1.00 0.00 N ATOM 182 CA ASP A 15 -12.424 -3.849 3.008 1.00 0.00 C ATOM 183 C ASP A 15 -13.119 -2.512 2.828 1.00 0.00 C ATOM 184 O ASP A 15 -13.917 -2.333 1.910 1.00 0.00 O ATOM 185 CB ASP A 15 -10.911 -3.624 3.030 1.00 0.00 C ATOM 186 CG ASP A 15 -10.183 -4.639 3.882 1.00 0.00 C ATOM 187 OD1 ASP A 15 -10.443 -4.691 5.102 1.00 0.00 O ATOM 188 OD2 ASP A 15 -9.349 -5.389 3.332 1.00 0.00 O ATOM 0 H ASP A 15 -12.114 -4.835 1.189 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.735 -4.296 3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.526 -3.668 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -10.702 -2.623 3.407 1.00 0.00 H new ATOM 193 N ARG A 16 -12.759 -1.554 3.661 1.00 0.00 N ATOM 194 CA ARG A 16 -13.300 -0.210 3.546 1.00 0.00 C ATOM 195 C ARG A 16 -12.309 0.698 2.829 1.00 0.00 C ATOM 196 O ARG A 16 -12.677 1.758 2.319 1.00 0.00 O ATOM 197 CB ARG A 16 -13.661 0.351 4.926 1.00 0.00 C ATOM 198 CG ARG A 16 -12.559 1.165 5.583 1.00 0.00 C ATOM 199 CD ARG A 16 -12.972 2.619 5.753 1.00 0.00 C ATOM 200 NE ARG A 16 -13.829 2.814 6.923 1.00 0.00 N ATOM 201 CZ ARG A 16 -14.114 4.005 7.454 1.00 0.00 C ATOM 202 NH1 ARG A 16 -13.586 5.112 6.942 1.00 0.00 N ATOM 203 NH2 ARG A 16 -14.922 4.088 8.505 1.00 0.00 N ATOM 0 H ARG A 16 -12.095 -1.680 4.425 1.00 0.00 H new ATOM 0 HA ARG A 16 -14.215 -0.253 2.955 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -14.549 0.976 4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -13.925 -0.477 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.319 0.737 6.556 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.654 1.110 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.081 3.240 5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -13.498 2.953 4.859 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.235 1.987 7.361 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.959 5.054 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.807 6.019 7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.325 3.241 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.139 4.998 8.910 1.00 0.00 H new ATOM 217 N TYR A 17 -11.056 0.266 2.771 1.00 0.00 N ATOM 218 CA TYR A 17 -10.014 1.019 2.095 1.00 0.00 C ATOM 219 C TYR A 17 -8.911 0.050 1.688 1.00 0.00 C ATOM 220 O TYR A 17 -8.723 -0.979 2.346 1.00 0.00 O ATOM 221 CB TYR A 17 -9.467 2.105 3.025 1.00 0.00 C ATOM 222 CG TYR A 17 -9.294 3.450 2.358 1.00 0.00 C ATOM 223 CD1 TYR A 17 -10.383 4.089 1.780 1.00 0.00 C ATOM 224 CD2 TYR A 17 -8.061 4.088 2.314 1.00 0.00 C ATOM 225 CE1 TYR A 17 -10.253 5.323 1.178 1.00 0.00 C ATOM 226 CE2 TYR A 17 -7.921 5.327 1.709 1.00 0.00 C ATOM 227 CZ TYR A 17 -9.024 5.939 1.143 1.00 0.00 C ATOM 228 OH TYR A 17 -8.902 7.176 0.546 1.00 0.00 O ATOM 0 H TYR A 17 -10.738 -0.609 3.188 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.415 1.509 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.141 2.215 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.505 1.780 3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.351 3.610 1.802 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.199 3.612 2.758 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.113 5.804 0.736 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.956 5.811 1.680 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.971 7.477 0.604 1.00 0.00 H new ATOM 238 N PHE A 18 -8.276 0.292 0.552 1.00 0.00 N ATOM 239 CA PHE A 18 -7.289 -0.648 0.040 1.00 0.00 C ATOM 240 C PHE A 18 -6.250 0.044 -0.836 1.00 0.00 C ATOM 241 O PHE A 18 -6.199 1.268 -0.909 1.00 0.00 O ATOM 242 CB PHE A 18 -7.986 -1.788 -0.727 1.00 0.00 C ATOM 243 CG PHE A 18 -8.430 -1.452 -2.132 1.00 0.00 C ATOM 244 CD1 PHE A 18 -9.007 -0.225 -2.438 1.00 0.00 C ATOM 245 CD2 PHE A 18 -8.282 -2.384 -3.145 1.00 0.00 C ATOM 246 CE1 PHE A 18 -9.419 0.059 -3.723 1.00 0.00 C ATOM 247 CE2 PHE A 18 -8.695 -2.104 -4.431 1.00 0.00 C ATOM 248 CZ PHE A 18 -9.264 -0.881 -4.719 1.00 0.00 C ATOM 0 H PHE A 18 -8.423 1.119 -0.027 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.758 -1.073 0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -7.307 -2.639 -0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.858 -2.107 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.134 0.514 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.837 -3.343 -2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.863 1.017 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.573 -2.841 -5.211 1.00 0.00 H new ATOM 0 HZ PHE A 18 -9.588 -0.660 -5.725 1.00 0.00 H new ATOM 258 N LEU A 19 -5.427 -0.754 -1.496 1.00 0.00 N ATOM 259 CA LEU A 19 -4.390 -0.246 -2.371 1.00 0.00 C ATOM 260 C LEU A 19 -4.544 -0.856 -3.756 1.00 0.00 C ATOM 261 O LEU A 19 -4.660 -2.063 -3.884 1.00 0.00 O ATOM 262 CB LEU A 19 -3.011 -0.605 -1.813 1.00 0.00 C ATOM 263 CG LEU A 19 -2.382 0.433 -0.885 1.00 0.00 C ATOM 264 CD1 LEU A 19 -1.379 -0.231 0.049 1.00 0.00 C ATOM 265 CD2 LEU A 19 -1.710 1.533 -1.693 1.00 0.00 C ATOM 0 H LEU A 19 -5.461 -1.772 -1.439 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.482 0.838 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.092 -1.548 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.334 -0.775 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.171 0.883 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.939 0.521 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.886 -0.985 0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.593 -0.705 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.267 2.263 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.930 1.100 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.450 2.025 -2.324 1.00 0.00 H new ATOM 277 N LYS A 20 -4.520 -0.033 -4.787 1.00 0.00 N ATOM 278 CA LYS A 20 -4.568 -0.534 -6.155 1.00 0.00 C ATOM 279 C LYS A 20 -4.081 0.549 -7.108 1.00 0.00 C ATOM 280 O LYS A 20 -4.449 1.713 -6.937 1.00 0.00 O ATOM 281 CB LYS A 20 -5.990 -1.001 -6.529 1.00 0.00 C ATOM 282 CG LYS A 20 -6.585 -0.334 -7.765 1.00 0.00 C ATOM 283 CD LYS A 20 -7.699 0.635 -7.405 1.00 0.00 C ATOM 284 CE LYS A 20 -8.387 1.174 -8.647 1.00 0.00 C ATOM 285 NZ LYS A 20 -9.854 0.941 -8.624 1.00 0.00 N ATOM 0 H LYS A 20 -4.468 0.983 -4.708 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.912 -1.401 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.971 -2.079 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.651 -0.817 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.801 0.198 -8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.972 -1.098 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.430 0.132 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.290 1.463 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.192 2.243 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.960 0.700 -9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.280 1.326 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.042 -0.080 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.268 1.414 -7.796 1.00 0.00 H new ATOM 299 N ALA A 21 -3.295 0.161 -8.121 1.00 0.00 N ATOM 300 CA ALA A 21 -2.817 1.110 -9.140 1.00 0.00 C ATOM 301 C ALA A 21 -1.803 0.467 -10.076 1.00 0.00 C ATOM 302 O ALA A 21 -1.707 0.846 -11.244 1.00 0.00 O ATOM 303 CB ALA A 21 -2.197 2.350 -8.510 1.00 0.00 C ATOM 0 H ALA A 21 -2.977 -0.798 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.694 1.406 -9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.857 3.025 -9.295 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.940 2.855 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.349 2.058 -7.890 1.00 0.00 H new ATOM 309 N ILE A 22 -0.961 -0.396 -9.515 1.00 0.00 N ATOM 310 CA ILE A 22 0.150 -1.001 -10.253 1.00 0.00 C ATOM 311 C ILE A 22 -0.316 -1.579 -11.586 1.00 0.00 C ATOM 312 O ILE A 22 0.124 -1.144 -12.652 1.00 0.00 O ATOM 313 CB ILE A 22 0.822 -2.114 -9.419 1.00 0.00 C ATOM 314 CG1 ILE A 22 0.862 -1.704 -7.934 1.00 0.00 C ATOM 315 CG2 ILE A 22 2.212 -2.419 -9.962 1.00 0.00 C ATOM 316 CD1 ILE A 22 2.161 -2.008 -7.214 1.00 0.00 C ATOM 0 H ILE A 22 -1.026 -0.696 -8.542 1.00 0.00 H new ATOM 0 HA ILE A 22 0.874 -0.211 -10.449 1.00 0.00 H new ATOM 0 HB ILE A 22 0.236 -3.030 -9.497 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.669 -0.634 -7.864 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.049 -2.209 -7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.672 -3.205 -9.363 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.134 -2.750 -10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.827 -1.520 -9.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.087 -1.682 -6.177 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.351 -3.081 -7.244 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.980 -1.480 -7.703 1.00 0.00 H new ATOM 328 N ASP A 23 -1.287 -2.474 -11.507 1.00 0.00 N ATOM 329 CA ASP A 23 -1.912 -3.070 -12.690 1.00 0.00 C ATOM 330 C ASP A 23 -2.975 -4.062 -12.245 1.00 0.00 C ATOM 331 O ASP A 23 -3.357 -4.971 -12.979 1.00 0.00 O ATOM 332 CB ASP A 23 -0.880 -3.780 -13.574 1.00 0.00 C ATOM 333 CG ASP A 23 -1.415 -4.068 -14.965 1.00 0.00 C ATOM 334 OD1 ASP A 23 -1.679 -3.110 -15.720 1.00 0.00 O ATOM 335 OD2 ASP A 23 -1.580 -5.256 -15.309 1.00 0.00 O ATOM 0 H ASP A 23 -1.669 -2.812 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.363 -2.272 -13.280 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.015 -3.163 -13.652 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.582 -4.716 -13.101 1.00 0.00 H new ATOM 340 N GLN A 24 -3.426 -3.883 -11.015 1.00 0.00 N ATOM 341 CA GLN A 24 -4.414 -4.755 -10.404 1.00 0.00 C ATOM 342 C GLN A 24 -4.812 -4.182 -9.058 1.00 0.00 C ATOM 343 O GLN A 24 -4.294 -3.140 -8.644 1.00 0.00 O ATOM 344 CB GLN A 24 -3.866 -6.176 -10.228 1.00 0.00 C ATOM 345 CG GLN A 24 -2.555 -6.241 -9.463 1.00 0.00 C ATOM 346 CD GLN A 24 -1.369 -6.470 -10.376 1.00 0.00 C ATOM 347 OE1 GLN A 24 -1.349 -7.412 -11.161 1.00 0.00 O ATOM 348 NE2 GLN A 24 -0.365 -5.612 -10.277 1.00 0.00 N ATOM 0 H GLN A 24 -3.115 -3.124 -10.409 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.284 -4.813 -11.058 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.609 -6.779 -9.707 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -3.724 -6.624 -11.211 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.412 -5.312 -8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.605 -7.044 -8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.417 -4.840 -9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.461 -5.723 -10.866 1.00 0.00 H new ATOM 357 N TYR A 25 -5.676 -4.888 -8.354 1.00 0.00 N ATOM 358 CA TYR A 25 -6.110 -4.464 -7.036 1.00 0.00 C ATOM 359 C TYR A 25 -5.345 -5.224 -5.970 1.00 0.00 C ATOM 360 O TYR A 25 -4.843 -6.321 -6.220 1.00 0.00 O ATOM 361 CB TYR A 25 -7.618 -4.673 -6.872 1.00 0.00 C ATOM 362 CG TYR A 25 -8.390 -4.457 -8.150 1.00 0.00 C ATOM 363 CD1 TYR A 25 -8.321 -3.247 -8.827 1.00 0.00 C ATOM 364 CD2 TYR A 25 -9.161 -5.474 -8.697 1.00 0.00 C ATOM 365 CE1 TYR A 25 -8.998 -3.058 -10.014 1.00 0.00 C ATOM 366 CE2 TYR A 25 -9.847 -5.289 -9.880 1.00 0.00 C ATOM 367 CZ TYR A 25 -9.757 -4.081 -10.536 1.00 0.00 C ATOM 368 OH TYR A 25 -10.427 -3.897 -11.723 1.00 0.00 O ATOM 0 H TYR A 25 -6.093 -5.762 -8.674 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.903 -3.400 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.801 -5.685 -6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.992 -3.990 -6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.729 -2.442 -8.418 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.225 -6.425 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.933 -2.112 -10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.450 -6.086 -10.289 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.915 -4.715 -11.954 1.00 0.00 H new ATOM 378 N TRP A 26 -5.162 -4.594 -4.826 1.00 0.00 N ATOM 379 CA TRP A 26 -4.382 -5.185 -3.755 1.00 0.00 C ATOM 380 C TRP A 26 -5.106 -5.067 -2.428 1.00 0.00 C ATOM 381 O TRP A 26 -6.302 -4.784 -2.371 1.00 0.00 O ATOM 382 CB TRP A 26 -3.021 -4.496 -3.630 1.00 0.00 C ATOM 383 CG TRP A 26 -2.201 -4.541 -4.871 1.00 0.00 C ATOM 384 CD1 TRP A 26 -2.116 -3.579 -5.832 1.00 0.00 C ATOM 385 CD2 TRP A 26 -1.340 -5.600 -5.276 1.00 0.00 C ATOM 386 NE1 TRP A 26 -1.248 -3.977 -6.818 1.00 0.00 N ATOM 387 CE2 TRP A 26 -0.759 -5.221 -6.497 1.00 0.00 C ATOM 388 CE3 TRP A 26 -1.007 -6.837 -4.718 1.00 0.00 C ATOM 389 CZ2 TRP A 26 0.144 -6.037 -7.172 1.00 0.00 C ATOM 390 CZ3 TRP A 26 -0.111 -7.645 -5.389 1.00 0.00 C ATOM 391 CH2 TRP A 26 0.454 -7.245 -6.605 1.00 0.00 C ATOM 0 H TRP A 26 -5.543 -3.672 -4.614 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.240 -6.237 -4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.177 -3.455 -3.348 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.461 -4.965 -2.820 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.652 -2.642 -5.820 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.006 -3.439 -7.650 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -1.441 -7.154 -3.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.584 -5.729 -8.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.159 -8.602 -4.968 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.149 -7.902 -7.107 1.00 0.00 H new ATOM 402 N HIS A 27 -4.330 -5.159 -1.369 1.00 0.00 N ATOM 403 CA HIS A 27 -4.836 -4.982 -0.025 1.00 0.00 C ATOM 404 C HIS A 27 -3.978 -3.972 0.708 1.00 0.00 C ATOM 405 O HIS A 27 -2.795 -3.817 0.396 1.00 0.00 O ATOM 406 CB HIS A 27 -4.820 -6.308 0.731 1.00 0.00 C ATOM 407 CG HIS A 27 -6.109 -7.050 0.682 1.00 0.00 C ATOM 408 ND1 HIS A 27 -6.186 -8.345 0.232 1.00 0.00 N ATOM 409 CD2 HIS A 27 -7.348 -6.644 1.052 1.00 0.00 C ATOM 410 CE1 HIS A 27 -7.453 -8.697 0.337 1.00 0.00 C ATOM 411 NE2 HIS A 27 -8.200 -7.697 0.831 1.00 0.00 N ATOM 0 H HIS A 27 -3.331 -5.359 -1.416 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.864 -4.623 -0.081 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.033 -6.940 0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.562 -6.117 1.773 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.418 -8.920 -0.114 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.615 -5.675 1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.840 -9.667 0.061 1.00 0.00 H new ATOM 419 N GLU A 28 -4.559 -3.322 1.700 1.00 0.00 N ATOM 420 CA GLU A 28 -3.841 -2.354 2.507 1.00 0.00 C ATOM 421 C GLU A 28 -2.712 -3.030 3.281 1.00 0.00 C ATOM 422 O GLU A 28 -1.659 -2.435 3.509 1.00 0.00 O ATOM 423 CB GLU A 28 -4.805 -1.677 3.477 1.00 0.00 C ATOM 424 CG GLU A 28 -5.125 -0.235 3.122 1.00 0.00 C ATOM 425 CD GLU A 28 -5.664 0.546 4.303 1.00 0.00 C ATOM 426 OE1 GLU A 28 -5.637 0.016 5.433 1.00 0.00 O ATOM 427 OE2 GLU A 28 -6.103 1.700 4.110 1.00 0.00 O ATOM 0 H GLU A 28 -5.535 -3.449 1.967 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.405 -1.604 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.733 -2.248 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.378 -1.708 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.225 0.252 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.856 -0.217 2.314 1.00 0.00 H new ATOM 434 N ASP A 29 -2.957 -4.261 3.719 1.00 0.00 N ATOM 435 CA ASP A 29 -1.981 -4.987 4.526 1.00 0.00 C ATOM 436 C ASP A 29 -1.318 -6.115 3.740 1.00 0.00 C ATOM 437 O ASP A 29 -0.435 -6.804 4.252 1.00 0.00 O ATOM 438 CB ASP A 29 -2.643 -5.544 5.787 1.00 0.00 C ATOM 439 CG ASP A 29 -1.636 -5.920 6.858 1.00 0.00 C ATOM 440 OD1 ASP A 29 -0.637 -5.193 7.029 1.00 0.00 O ATOM 441 OD2 ASP A 29 -1.843 -6.947 7.538 1.00 0.00 O ATOM 0 H ASP A 29 -3.818 -4.775 3.530 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.202 -4.279 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.334 -4.802 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.234 -6.422 5.525 1.00 0.00 H new ATOM 446 N CYS A 30 -1.661 -6.227 2.466 1.00 0.00 N ATOM 447 CA CYS A 30 -1.017 -7.199 1.602 1.00 0.00 C ATOM 448 C CYS A 30 0.255 -6.602 1.013 1.00 0.00 C ATOM 449 O CYS A 30 1.275 -7.271 0.896 1.00 0.00 O ATOM 450 CB CYS A 30 -1.973 -7.652 0.495 1.00 0.00 C ATOM 451 SG CYS A 30 -2.764 -9.267 0.834 1.00 0.00 S ATOM 0 H CYS A 30 -2.377 -5.660 2.012 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.750 -8.076 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.748 -6.897 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.425 -7.714 -0.445 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.422 -9.657 -0.217 1.00 0.00 H new ATOM 456 N LEU A 31 0.195 -5.326 0.687 1.00 0.00 N ATOM 457 CA LEU A 31 1.348 -4.614 0.154 1.00 0.00 C ATOM 458 C LEU A 31 2.187 -4.007 1.284 1.00 0.00 C ATOM 459 O LEU A 31 1.895 -2.913 1.769 1.00 0.00 O ATOM 460 CB LEU A 31 0.889 -3.527 -0.818 1.00 0.00 C ATOM 461 CG LEU A 31 0.399 -4.033 -2.176 1.00 0.00 C ATOM 462 CD1 LEU A 31 0.615 -2.977 -3.246 1.00 0.00 C ATOM 463 CD2 LEU A 31 1.108 -5.323 -2.555 1.00 0.00 C ATOM 0 H LEU A 31 -0.645 -4.754 0.781 1.00 0.00 H new ATOM 0 HA LEU A 31 1.975 -5.325 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.086 -2.958 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.716 -2.836 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.669 -4.237 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.261 -3.354 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.062 -2.075 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.677 -2.743 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.745 -5.666 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.182 -5.145 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.906 -6.084 -1.801 1.00 0.00 H new ATOM 475 N SER A 32 3.199 -4.747 1.727 1.00 0.00 N ATOM 476 CA SER A 32 4.067 -4.311 2.821 1.00 0.00 C ATOM 477 C SER A 32 5.552 -4.606 2.538 1.00 0.00 C ATOM 478 O SER A 32 6.198 -3.877 1.784 1.00 0.00 O ATOM 479 CB SER A 32 3.605 -4.937 4.145 1.00 0.00 C ATOM 480 OG SER A 32 2.565 -5.881 3.926 1.00 0.00 O ATOM 0 H SER A 32 3.441 -5.660 1.342 1.00 0.00 H new ATOM 0 HA SER A 32 3.982 -3.228 2.905 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.448 -5.426 4.634 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.255 -4.155 4.819 1.00 0.00 H new ATOM 0 HG SER A 32 2.288 -6.267 4.783 1.00 0.00 H new ATOM 486 N CYS A 33 6.091 -5.652 3.161 1.00 0.00 N ATOM 487 CA CYS A 33 7.494 -6.017 3.011 1.00 0.00 C ATOM 488 C CYS A 33 7.729 -6.858 1.755 1.00 0.00 C ATOM 489 O CYS A 33 7.374 -8.040 1.717 1.00 0.00 O ATOM 490 CB CYS A 33 7.941 -6.797 4.245 1.00 0.00 C ATOM 491 SG CYS A 33 8.913 -5.818 5.429 1.00 0.00 S ATOM 0 H CYS A 33 5.567 -6.268 3.782 1.00 0.00 H new ATOM 0 HA CYS A 33 8.077 -5.102 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.060 -7.190 4.752 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.534 -7.654 3.925 1.00 0.00 H new ATOM 0 HG CYS A 33 10.159 -6.184 5.375 1.00 0.00 H new ATOM 496 N ASP A 34 8.358 -6.260 0.752 1.00 0.00 N ATOM 497 CA ASP A 34 8.637 -6.957 -0.500 1.00 0.00 C ATOM 498 C ASP A 34 10.034 -7.547 -0.489 1.00 0.00 C ATOM 499 O ASP A 34 10.226 -8.719 -0.808 1.00 0.00 O ATOM 500 CB ASP A 34 8.500 -6.000 -1.680 1.00 0.00 C ATOM 501 CG ASP A 34 8.308 -6.712 -3.008 1.00 0.00 C ATOM 502 OD1 ASP A 34 8.802 -7.849 -3.171 1.00 0.00 O ATOM 503 OD2 ASP A 34 7.671 -6.130 -3.903 1.00 0.00 O ATOM 0 H ASP A 34 8.685 -5.294 0.779 1.00 0.00 H new ATOM 0 HA ASP A 34 7.914 -7.766 -0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.653 -5.336 -1.505 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.390 -5.373 -1.736 1.00 0.00 H new ATOM 508 N LEU A 35 11.004 -6.724 -0.118 1.00 0.00 N ATOM 509 CA LEU A 35 12.401 -7.143 -0.087 1.00 0.00 C ATOM 510 C LEU A 35 12.575 -8.357 0.814 1.00 0.00 C ATOM 511 O LEU A 35 13.191 -9.349 0.426 1.00 0.00 O ATOM 512 CB LEU A 35 13.296 -5.998 0.398 1.00 0.00 C ATOM 513 CG LEU A 35 14.689 -6.420 0.869 1.00 0.00 C ATOM 514 CD1 LEU A 35 15.755 -5.904 -0.083 1.00 0.00 C ATOM 515 CD2 LEU A 35 14.945 -5.925 2.284 1.00 0.00 C ATOM 0 H LEU A 35 10.850 -5.757 0.167 1.00 0.00 H new ATOM 0 HA LEU A 35 12.697 -7.414 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.406 -5.276 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.792 -5.485 1.217 1.00 0.00 H new ATOM 0 HG LEU A 35 14.736 -7.509 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.739 -6.215 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.581 -6.311 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.711 -4.816 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.940 -6.234 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.878 -4.837 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.200 -6.348 2.958 1.00 0.00 H new ATOM 527 N CYS A 36 11.995 -8.276 1.999 1.00 0.00 N ATOM 528 CA CYS A 36 12.047 -9.367 2.953 1.00 0.00 C ATOM 529 C CYS A 36 11.179 -10.535 2.484 1.00 0.00 C ATOM 530 O CYS A 36 11.597 -11.692 2.536 1.00 0.00 O ATOM 531 CB CYS A 36 11.598 -8.858 4.320 1.00 0.00 C ATOM 532 SG CYS A 36 12.437 -7.316 4.822 1.00 0.00 S ATOM 0 H CYS A 36 11.479 -7.458 2.324 1.00 0.00 H new ATOM 0 HA CYS A 36 13.070 -9.734 3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 36 10.521 -8.689 4.302 1.00 0.00 H new ATOM 0 HB3 CYS A 36 11.788 -9.628 5.068 1.00 0.00 H new ATOM 0 HG CYS A 36 12.079 -6.349 4.030 1.00 0.00 H new ATOM 537 N GLY A 37 10.024 -10.208 1.922 1.00 0.00 N ATOM 538 CA GLY A 37 9.168 -11.218 1.326 1.00 0.00 C ATOM 539 C GLY A 37 8.463 -12.087 2.348 1.00 0.00 C ATOM 540 O GLY A 37 7.865 -13.101 1.994 1.00 0.00 O ATOM 0 H GLY A 37 9.661 -9.256 1.867 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.422 -10.728 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.767 -11.852 0.672 1.00 0.00 H new ATOM 710 N TYR A 48 5.646 -4.326 -3.157 1.00 0.00 N ATOM 711 CA TYR A 48 5.825 -2.902 -2.910 1.00 0.00 C ATOM 712 C TYR A 48 7.106 -2.511 -3.613 1.00 0.00 C ATOM 713 O TYR A 48 8.167 -2.951 -3.207 1.00 0.00 O ATOM 714 CB TYR A 48 5.960 -2.610 -1.410 1.00 0.00 C ATOM 715 CG TYR A 48 5.087 -1.479 -0.902 1.00 0.00 C ATOM 716 CD1 TYR A 48 3.711 -1.634 -0.821 1.00 0.00 C ATOM 717 CD2 TYR A 48 5.635 -0.270 -0.470 1.00 0.00 C ATOM 718 CE1 TYR A 48 2.905 -0.628 -0.327 1.00 0.00 C ATOM 719 CE2 TYR A 48 4.830 0.742 0.018 1.00 0.00 C ATOM 720 CZ TYR A 48 3.466 0.556 0.091 1.00 0.00 C ATOM 721 OH TYR A 48 2.660 1.550 0.595 1.00 0.00 O ATOM 0 HA TYR A 48 4.964 -2.341 -3.274 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.717 -3.516 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.001 -2.372 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.262 -2.559 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.704 -0.123 -0.518 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.836 -0.770 -0.269 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.268 1.675 0.341 1.00 0.00 H new ATOM 0 HH TYR A 48 3.210 2.321 0.846 1.00 0.00 H new ATOM 731 N TYR A 49 6.999 -2.028 -4.829 1.00 0.00 N ATOM 732 CA TYR A 49 8.183 -2.010 -5.665 1.00 0.00 C ATOM 733 C TYR A 49 8.460 -0.653 -6.304 1.00 0.00 C ATOM 734 O TYR A 49 7.542 0.082 -6.671 1.00 0.00 O ATOM 735 CB TYR A 49 8.058 -3.118 -6.719 1.00 0.00 C ATOM 736 CG TYR A 49 7.568 -2.665 -8.077 1.00 0.00 C ATOM 737 CD1 TYR A 49 6.251 -2.271 -8.274 1.00 0.00 C ATOM 738 CD2 TYR A 49 8.432 -2.639 -9.158 1.00 0.00 C ATOM 739 CE1 TYR A 49 5.810 -1.855 -9.514 1.00 0.00 C ATOM 740 CE2 TYR A 49 8.000 -2.220 -10.404 1.00 0.00 C ATOM 741 CZ TYR A 49 6.689 -1.830 -10.574 1.00 0.00 C ATOM 742 OH TYR A 49 6.252 -1.402 -11.808 1.00 0.00 O ATOM 0 H TYR A 49 6.147 -1.657 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 49 9.047 -2.197 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 49 9.032 -3.592 -6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 49 7.378 -3.881 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.561 -2.290 -7.444 1.00 0.00 H new ATOM 0 HD2 TYR A 49 9.458 -2.950 -9.027 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.783 -1.551 -9.652 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.686 -2.199 -11.238 1.00 0.00 H new ATOM 0 HH TYR A 49 6.992 -1.442 -12.449 1.00 0.00 H new ATOM 752 N LYS A 50 9.748 -0.346 -6.453 1.00 0.00 N ATOM 753 CA LYS A 50 10.189 0.844 -7.155 1.00 0.00 C ATOM 754 C LYS A 50 10.575 0.470 -8.577 1.00 0.00 C ATOM 755 O LYS A 50 10.596 -0.713 -8.894 1.00 0.00 O ATOM 756 CB LYS A 50 11.360 1.516 -6.450 1.00 0.00 C ATOM 757 CG LYS A 50 12.058 0.630 -5.467 1.00 0.00 C ATOM 758 CD LYS A 50 13.565 0.801 -5.544 1.00 0.00 C ATOM 759 CE LYS A 50 14.001 2.163 -5.027 1.00 0.00 C ATOM 760 NZ LYS A 50 15.456 2.395 -5.225 1.00 0.00 N ATOM 0 H LYS A 50 10.509 -0.919 -6.088 1.00 0.00 H new ATOM 0 HA LYS A 50 9.367 1.559 -7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.079 1.852 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.000 2.405 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.715 0.861 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.797 -0.410 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.051 0.018 -4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.893 0.681 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.437 2.943 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.763 2.241 -3.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.711 3.334 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.996 1.667 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.680 2.346 -6.239 1.00 0.00 H new ATOM 774 N LEU A 51 10.832 1.482 -9.415 1.00 0.00 N ATOM 775 CA LEU A 51 11.149 1.323 -10.850 1.00 0.00 C ATOM 776 C LEU A 51 11.631 -0.078 -11.228 1.00 0.00 C ATOM 777 O LEU A 51 11.017 -0.756 -12.054 1.00 0.00 O ATOM 778 CB LEU A 51 12.205 2.348 -11.276 1.00 0.00 C ATOM 779 CG LEU A 51 12.791 3.204 -10.151 1.00 0.00 C ATOM 780 CD1 LEU A 51 14.049 2.561 -9.589 1.00 0.00 C ATOM 781 CD2 LEU A 51 13.089 4.603 -10.661 1.00 0.00 C ATOM 0 H LEU A 51 10.827 2.456 -9.114 1.00 0.00 H new ATOM 0 HA LEU A 51 10.211 1.489 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.021 1.818 -11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.762 3.011 -12.019 1.00 0.00 H new ATOM 0 HG LEU A 51 12.057 3.274 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.451 3.185 -8.790 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.808 1.575 -9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 51 14.792 2.462 -10.381 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.506 5.204 -9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.807 4.547 -11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.168 5.064 -11.018 1.00 0.00 H new ATOM 793 N GLY A 52 12.747 -0.486 -10.648 1.00 0.00 N ATOM 794 CA GLY A 52 13.321 -1.775 -10.989 1.00 0.00 C ATOM 795 C GLY A 52 13.627 -2.641 -9.783 1.00 0.00 C ATOM 796 O GLY A 52 14.362 -3.620 -9.896 1.00 0.00 O ATOM 0 H GLY A 52 13.266 0.047 -9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.632 -2.309 -11.644 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.239 -1.616 -11.554 1.00 0.00 H new ATOM 800 N ARG A 53 13.078 -2.295 -8.626 1.00 0.00 N ATOM 801 CA ARG A 53 13.336 -3.060 -7.411 1.00 0.00 C ATOM 802 C ARG A 53 12.060 -3.318 -6.624 1.00 0.00 C ATOM 803 O ARG A 53 11.506 -2.405 -6.009 1.00 0.00 O ATOM 804 CB ARG A 53 14.331 -2.325 -6.511 1.00 0.00 C ATOM 805 CG ARG A 53 15.611 -1.923 -7.214 1.00 0.00 C ATOM 806 CD ARG A 53 16.827 -2.173 -6.342 1.00 0.00 C ATOM 807 NE ARG A 53 17.713 -3.158 -6.940 1.00 0.00 N ATOM 808 CZ ARG A 53 18.631 -3.851 -6.266 1.00 0.00 C ATOM 809 NH1 ARG A 53 18.845 -3.604 -4.979 1.00 0.00 N ATOM 810 NH2 ARG A 53 19.347 -4.778 -6.887 1.00 0.00 N ATOM 0 H ARG A 53 12.456 -1.496 -8.502 1.00 0.00 H new ATOM 0 HA ARG A 53 13.754 -4.017 -7.723 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.852 -1.432 -6.110 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.579 -2.963 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 53 15.708 -2.483 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.564 -0.867 -7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 53 17.368 -1.238 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 53 16.507 -2.518 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 53 17.627 -3.330 -7.942 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.306 -2.881 -4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.548 -4.137 -4.468 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.195 -4.960 -7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 53 20.050 -5.309 -6.373 1.00 0.00 H new ATOM 824 N LYS A 54 11.686 -4.581 -6.527 1.00 0.00 N ATOM 825 CA LYS A 54 10.600 -4.991 -5.660 1.00 0.00 C ATOM 826 C LYS A 54 11.093 -5.027 -4.214 1.00 0.00 C ATOM 827 O LYS A 54 11.777 -5.976 -3.821 1.00 0.00 O ATOM 828 CB LYS A 54 10.117 -6.387 -6.058 1.00 0.00 C ATOM 829 CG LYS A 54 9.131 -6.408 -7.210 1.00 0.00 C ATOM 830 CD LYS A 54 8.641 -7.821 -7.485 1.00 0.00 C ATOM 831 CE LYS A 54 7.546 -8.230 -6.515 1.00 0.00 C ATOM 832 NZ LYS A 54 8.062 -9.069 -5.405 1.00 0.00 N ATOM 0 H LYS A 54 12.123 -5.345 -7.043 1.00 0.00 H new ATOM 0 HA LYS A 54 9.778 -4.281 -5.755 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.982 -6.994 -6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.653 -6.858 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.283 -5.764 -6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.604 -6.003 -8.105 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.266 -7.885 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.476 -8.518 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.075 -7.337 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.773 -8.779 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.279 -9.609 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.779 -9.728 -5.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.491 -8.460 -4.680 1.00 0.00 H new ATOM 846 N LEU A 55 10.836 -3.975 -3.442 1.00 0.00 N ATOM 847 CA LEU A 55 11.323 -3.935 -2.061 1.00 0.00 C ATOM 848 C LEU A 55 10.509 -2.985 -1.180 1.00 0.00 C ATOM 849 O LEU A 55 9.921 -2.008 -1.660 1.00 0.00 O ATOM 850 CB LEU A 55 12.820 -3.584 -2.040 1.00 0.00 C ATOM 851 CG LEU A 55 13.179 -2.139 -1.698 1.00 0.00 C ATOM 852 CD1 LEU A 55 14.674 -2.014 -1.464 1.00 0.00 C ATOM 853 CD2 LEU A 55 12.751 -1.205 -2.810 1.00 0.00 C ATOM 0 H LEU A 55 10.306 -3.155 -3.737 1.00 0.00 H new ATOM 0 HA LEU A 55 11.191 -4.929 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.313 -4.237 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.238 -3.816 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 55 12.650 -1.860 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.919 -0.980 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.968 -2.661 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 55 15.210 -2.311 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.016 -0.181 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.256 -1.484 -3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.672 -1.276 -2.950 1.00 0.00 H new ATOM 865 N CYS A 56 10.494 -3.277 0.117 1.00 0.00 N ATOM 866 CA CYS A 56 9.703 -2.528 1.078 1.00 0.00 C ATOM 867 C CYS A 56 10.170 -1.086 1.164 1.00 0.00 C ATOM 868 O CYS A 56 11.323 -0.790 0.899 1.00 0.00 O ATOM 869 CB CYS A 56 9.838 -3.206 2.430 1.00 0.00 C ATOM 870 SG CYS A 56 10.999 -4.615 2.398 1.00 0.00 S ATOM 0 H CYS A 56 11.031 -4.040 0.528 1.00 0.00 H new ATOM 0 HA CYS A 56 8.660 -2.514 0.762 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.178 -2.477 3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 56 8.858 -3.555 2.757 1.00 0.00 H new ATOM 0 HG CYS A 56 10.495 -5.608 3.068 1.00 0.00 H new ATOM 875 N ARG A 57 9.237 -0.182 1.397 1.00 0.00 N ATOM 876 CA ARG A 57 9.541 1.240 1.327 1.00 0.00 C ATOM 877 C ARG A 57 10.326 1.709 2.542 1.00 0.00 C ATOM 878 O ARG A 57 11.411 2.269 2.409 1.00 0.00 O ATOM 879 CB ARG A 57 8.257 2.051 1.163 1.00 0.00 C ATOM 880 CG ARG A 57 8.377 3.203 0.171 1.00 0.00 C ATOM 881 CD ARG A 57 9.508 2.994 -0.829 1.00 0.00 C ATOM 882 NE ARG A 57 9.398 1.722 -1.546 1.00 0.00 N ATOM 883 CZ ARG A 57 9.365 1.618 -2.869 1.00 0.00 C ATOM 884 NH1 ARG A 57 9.527 2.698 -3.629 1.00 0.00 N ATOM 885 NH2 ARG A 57 9.227 0.425 -3.431 1.00 0.00 N ATOM 0 H ARG A 57 8.270 -0.401 1.635 1.00 0.00 H new ATOM 0 HA ARG A 57 10.171 1.402 0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.458 1.386 0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.964 2.450 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.436 3.315 -0.367 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.545 4.132 0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.508 3.813 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.463 3.030 -0.305 1.00 0.00 H new ATOM 0 HE ARG A 57 9.343 0.865 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.677 3.609 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.501 2.615 -4.645 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.147 -0.408 -2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.201 0.340 -4.447 1.00 0.00 H new ATOM 899 N ARG A 58 9.788 1.463 3.720 1.00 0.00 N ATOM 900 CA ARG A 58 10.450 1.845 4.954 1.00 0.00 C ATOM 901 C ARG A 58 11.761 1.083 5.116 1.00 0.00 C ATOM 902 O ARG A 58 12.699 1.562 5.758 1.00 0.00 O ATOM 903 CB ARG A 58 9.525 1.579 6.145 1.00 0.00 C ATOM 904 CG ARG A 58 8.335 2.523 6.206 1.00 0.00 C ATOM 905 CD ARG A 58 7.210 2.102 5.271 1.00 0.00 C ATOM 906 NE ARG A 58 6.744 0.739 5.523 1.00 0.00 N ATOM 907 CZ ARG A 58 5.458 0.374 5.519 1.00 0.00 C ATOM 908 NH1 ARG A 58 4.503 1.268 5.276 1.00 0.00 N ATOM 909 NH2 ARG A 58 5.132 -0.895 5.747 1.00 0.00 N ATOM 0 H ARG A 58 8.890 0.998 3.850 1.00 0.00 H new ATOM 0 HA ARG A 58 10.678 2.910 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.163 0.552 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.098 1.668 7.068 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.958 2.562 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.661 3.531 5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.374 2.793 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.553 2.179 4.239 1.00 0.00 H new ATOM 0 HE ARG A 58 7.444 0.022 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.750 2.240 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.524 0.981 5.275 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.862 -1.585 5.924 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.152 -1.178 5.745 1.00 0.00 H new ATOM 923 N ASP A 59 11.832 -0.084 4.495 1.00 0.00 N ATOM 924 CA ASP A 59 13.029 -0.901 4.544 1.00 0.00 C ATOM 925 C ASP A 59 14.025 -0.404 3.510 1.00 0.00 C ATOM 926 O ASP A 59 15.211 -0.268 3.800 1.00 0.00 O ATOM 927 CB ASP A 59 12.690 -2.385 4.308 1.00 0.00 C ATOM 928 CG ASP A 59 11.720 -2.951 5.342 1.00 0.00 C ATOM 929 OD1 ASP A 59 10.874 -2.179 5.860 1.00 0.00 O ATOM 930 OD2 ASP A 59 11.819 -4.151 5.672 1.00 0.00 O ATOM 0 H ASP A 59 11.070 -0.486 3.949 1.00 0.00 H new ATOM 0 HA ASP A 59 13.475 -0.818 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.258 -2.499 3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.610 -2.969 4.325 1.00 0.00 H new ATOM 935 N TYR A 60 13.514 -0.011 2.346 1.00 0.00 N ATOM 936 CA TYR A 60 14.340 0.577 1.294 1.00 0.00 C ATOM 937 C TYR A 60 15.006 1.847 1.788 1.00 0.00 C ATOM 938 O TYR A 60 16.127 2.156 1.401 1.00 0.00 O ATOM 939 CB TYR A 60 13.496 0.866 0.040 1.00 0.00 C ATOM 940 CG TYR A 60 13.608 2.272 -0.519 1.00 0.00 C ATOM 941 CD1 TYR A 60 14.586 2.596 -1.452 1.00 0.00 C ATOM 942 CD2 TYR A 60 12.723 3.270 -0.126 1.00 0.00 C ATOM 943 CE1 TYR A 60 14.682 3.873 -1.969 1.00 0.00 C ATOM 944 CE2 TYR A 60 12.812 4.547 -0.643 1.00 0.00 C ATOM 945 CZ TYR A 60 13.794 4.843 -1.561 1.00 0.00 C ATOM 946 OH TYR A 60 13.882 6.113 -2.081 1.00 0.00 O ATOM 0 H TYR A 60 12.526 -0.090 2.106 1.00 0.00 H new ATOM 0 HA TYR A 60 15.117 -0.140 1.028 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.784 0.161 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 60 12.450 0.671 0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.282 1.837 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.953 3.042 0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.450 4.110 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.115 5.310 -0.329 1.00 0.00 H new ATOM 0 HH TYR A 60 13.182 6.676 -1.690 1.00 0.00 H new ATOM 1420 N LEU A 96 3.559 2.924 -8.223 1.00 0.00 N ATOM 1421 CA LEU A 96 2.179 3.161 -8.619 1.00 0.00 C ATOM 1422 C LEU A 96 1.206 2.447 -7.697 1.00 0.00 C ATOM 1423 O LEU A 96 0.716 1.371 -8.022 1.00 0.00 O ATOM 1424 CB LEU A 96 1.946 2.698 -10.062 1.00 0.00 C ATOM 1425 CG LEU A 96 3.213 2.437 -10.875 1.00 0.00 C ATOM 1426 CD1 LEU A 96 3.242 1.000 -11.368 1.00 0.00 C ATOM 1427 CD2 LEU A 96 3.307 3.408 -12.042 1.00 0.00 C ATOM 0 HA LEU A 96 2.000 4.234 -8.548 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.352 1.784 -10.042 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.352 3.453 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 96 4.077 2.595 -10.229 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.151 0.832 -11.945 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.223 0.322 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.372 0.814 -11.998 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.215 3.207 -12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.439 3.283 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.334 4.430 -11.664 1.00 0.00 H new ATOM 1439 N ILE A 97 0.856 3.088 -6.591 1.00 0.00 N ATOM 1440 CA ILE A 97 -0.190 2.571 -5.712 1.00 0.00 C ATOM 1441 C ILE A 97 -0.782 3.684 -4.870 1.00 0.00 C ATOM 1442 O ILE A 97 -0.068 4.401 -4.165 1.00 0.00 O ATOM 1443 CB ILE A 97 0.272 1.453 -4.755 1.00 0.00 C ATOM 1444 CG1 ILE A 97 1.782 1.220 -4.843 1.00 0.00 C ATOM 1445 CG2 ILE A 97 -0.495 0.169 -5.040 1.00 0.00 C ATOM 1446 CD1 ILE A 97 2.301 0.191 -3.861 1.00 0.00 C ATOM 0 H ILE A 97 1.277 3.963 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 97 -0.928 2.142 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 97 0.056 1.772 -3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.032 0.901 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.297 2.165 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -0.161 -0.613 -4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.562 0.343 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.313 -0.143 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.378 0.081 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.083 0.517 -2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.815 -0.767 -4.047 1.00 0.00 H new ATOM 1458 N THR A 98 -2.087 3.806 -4.938 1.00 0.00 N ATOM 1459 CA THR A 98 -2.807 4.795 -4.197 1.00 0.00 C ATOM 1460 C THR A 98 -3.684 4.128 -3.154 1.00 0.00 C ATOM 1461 O THR A 98 -4.352 3.127 -3.442 1.00 0.00 O ATOM 1462 CB THR A 98 -3.684 5.611 -5.150 1.00 0.00 C ATOM 1463 OG1 THR A 98 -3.868 4.884 -6.375 1.00 0.00 O ATOM 1464 CG2 THR A 98 -3.039 6.943 -5.449 1.00 0.00 C ATOM 0 H THR A 98 -2.678 3.211 -5.518 1.00 0.00 H new ATOM 0 HA THR A 98 -2.095 5.453 -3.699 1.00 0.00 H new ATOM 0 HB THR A 98 -4.650 5.785 -4.676 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.431 5.406 -6.984 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.675 7.511 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.909 7.501 -4.522 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.067 6.780 -5.914 1.00 0.00 H new ATOM 1472 N ARG A 99 -3.715 4.704 -1.966 1.00 0.00 N ATOM 1473 CA ARG A 99 -4.611 4.239 -0.926 1.00 0.00 C ATOM 1474 C ARG A 99 -6.020 4.647 -1.308 1.00 0.00 C ATOM 1475 O ARG A 99 -6.367 5.825 -1.236 1.00 0.00 O ATOM 1476 CB ARG A 99 -4.227 4.843 0.422 1.00 0.00 C ATOM 1477 CG ARG A 99 -2.890 4.356 0.947 1.00 0.00 C ATOM 1478 CD ARG A 99 -2.999 2.972 1.569 1.00 0.00 C ATOM 1479 NE ARG A 99 -3.797 2.978 2.794 1.00 0.00 N ATOM 1480 CZ ARG A 99 -3.397 3.504 3.949 1.00 0.00 C ATOM 1481 NH1 ARG A 99 -2.199 4.067 4.064 1.00 0.00 N ATOM 1482 NH2 ARG A 99 -4.196 3.444 5.002 1.00 0.00 N ATOM 0 H ARG A 99 -3.129 5.495 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.545 3.155 -0.831 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -4.198 5.929 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.002 4.606 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -2.166 4.333 0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.512 5.060 1.689 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -3.446 2.286 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -2.000 2.595 1.790 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.722 2.550 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.572 4.100 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.907 4.466 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -5.110 2.997 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.898 3.844 5.892 1.00 0.00 H new ATOM 1496 N LEU A 100 -6.709 3.740 -1.967 1.00 0.00 N ATOM 1497 CA LEU A 100 -7.949 4.080 -2.626 1.00 0.00 C ATOM 1498 C LEU A 100 -9.152 3.601 -1.839 1.00 0.00 C ATOM 1499 O LEU A 100 -9.030 2.848 -0.872 1.00 0.00 O ATOM 1500 CB LEU A 100 -7.977 3.470 -4.025 1.00 0.00 C ATOM 1501 CG LEU A 100 -8.523 4.384 -5.119 1.00 0.00 C ATOM 1502 CD1 LEU A 100 -7.458 4.639 -6.174 1.00 0.00 C ATOM 1503 CD2 LEU A 100 -9.770 3.781 -5.750 1.00 0.00 C ATOM 0 H LEU A 100 -6.431 2.763 -2.060 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.002 5.167 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.964 3.171 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.580 2.562 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.798 5.337 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.861 5.292 -6.948 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.594 5.116 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.154 3.692 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.143 4.448 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.524 2.814 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.537 3.649 -4.986 1.00 0.00 H new ATOM 1515 N GLU A 101 -10.315 3.970 -2.333 1.00 0.00 N ATOM 1516 CA GLU A 101 -11.574 3.539 -1.756 1.00 0.00 C ATOM 1517 C GLU A 101 -12.029 2.260 -2.443 1.00 0.00 C ATOM 1518 O GLU A 101 -11.955 2.161 -3.669 1.00 0.00 O ATOM 1519 CB GLU A 101 -12.622 4.643 -1.906 1.00 0.00 C ATOM 1520 CG GLU A 101 -12.066 6.036 -1.642 1.00 0.00 C ATOM 1521 CD GLU A 101 -13.133 7.110 -1.651 1.00 0.00 C ATOM 1522 OE1 GLU A 101 -13.712 7.371 -2.726 1.00 0.00 O ATOM 1523 OE2 GLU A 101 -13.401 7.700 -0.583 1.00 0.00 O ATOM 0 H GLU A 101 -10.416 4.577 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.444 3.339 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.035 4.609 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.445 4.450 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -11.560 6.042 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.315 6.271 -2.397 1.00 0.00 H new ATOM 1530 N ASN A 102 -12.345 1.247 -1.640 1.00 0.00 N ATOM 1531 CA ASN A 102 -12.654 -0.092 -2.148 1.00 0.00 C ATOM 1532 C ASN A 102 -13.654 -0.050 -3.301 1.00 0.00 C ATOM 1533 O ASN A 102 -13.296 -0.297 -4.452 1.00 0.00 O ATOM 1534 CB ASN A 102 -13.195 -0.980 -1.027 1.00 0.00 C ATOM 1535 CG ASN A 102 -12.820 -2.438 -1.218 1.00 0.00 C ATOM 1536 OD1 ASN A 102 -11.662 -2.759 -1.460 1.00 0.00 O ATOM 1537 ND2 ASN A 102 -13.795 -3.328 -1.103 1.00 0.00 N ATOM 0 H ASN A 102 -12.395 1.327 -0.624 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.723 -0.513 -2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.808 -0.630 -0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.280 -0.888 -0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.595 -4.322 -1.217 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.746 -3.019 -0.901 1.00 0.00 H new ATOM 1544 N THR A 103 -14.896 0.289 -2.999 1.00 0.00 N ATOM 1545 CA THR A 103 -15.915 0.400 -4.026 1.00 0.00 C ATOM 1546 C THR A 103 -16.764 1.656 -3.828 1.00 0.00 C ATOM 1547 O THR A 103 -16.473 2.699 -4.411 1.00 0.00 O ATOM 1548 CB THR A 103 -16.818 -0.847 -4.067 1.00 0.00 C ATOM 1549 OG1 THR A 103 -16.104 -1.981 -3.557 1.00 0.00 O ATOM 1550 CG2 THR A 103 -17.279 -1.132 -5.487 1.00 0.00 C ATOM 0 H THR A 103 -15.221 0.491 -2.054 1.00 0.00 H new ATOM 0 HA THR A 103 -15.397 0.476 -4.982 1.00 0.00 H new ATOM 0 HB THR A 103 -17.695 -0.658 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.683 -2.771 -3.584 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.915 -2.017 -5.492 1.00 0.00 H new ATOM 0 HG22 THR A 103 -17.841 -0.278 -5.865 1.00 0.00 H new ATOM 0 HG23 THR A 103 -16.411 -1.305 -6.123 1.00 0.00 H new