USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 829 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 NoAdj-H: A 27 HIS HD1 : A 27 HIS ND1 : A 115 ZNZN :(H bumps) USER MOD Set 1.1: A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 SER OG : rot 95:sc= -0.491! USER MOD Set 2.1: A 2 SER OG : rot -140:sc= -0.575 USER MOD Set 2.2: A 12 ASN : amide:sc= 0.0291 X(o=-0.55,f=-0.74) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0199 (180deg=0) 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 11 GLN : amide:sc= 0.207 X(o=0.21,f=0) 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 :FLIP amide:sc= -0.134 F(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 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -113:sc= 0.55 USER MOD Single : A 49 TYR OH : rot 180:sc= 0.949 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= 0.641 (180deg=0.0822) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -53:sc= 1.35 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00341 USER MOD Single : A 85 MET CE :methyl -165:sc= -0.595 (180deg=-0.968) 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 Single : A 104 GLN : amide:sc= -0.798 K(o=-0.8,f=-1.8!) USER MOD Single : A 109 ASN : amide:sc= -0.0769 K(o=-0.077,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.754 -13.356 -2.650 1.00 0.00 N ATOM 2 CA GLY A 1 -17.824 -12.438 -1.948 1.00 0.00 C ATOM 3 C GLY A 1 -17.899 -11.030 -2.494 1.00 0.00 C ATOM 4 O GLY A 1 -18.963 -10.586 -2.924 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.268 -13.930 -1.952 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.433 -12.801 -3.209 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.214 -13.981 -3.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.060 -12.427 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.804 -12.811 -2.045 1.00 0.00 H new ATOM 10 N SER A 2 -16.776 -10.325 -2.473 1.00 0.00 N ATOM 11 CA SER A 2 -16.714 -8.953 -2.957 1.00 0.00 C ATOM 12 C SER A 2 -16.618 -8.911 -4.484 1.00 0.00 C ATOM 13 O SER A 2 -16.838 -9.917 -5.158 1.00 0.00 O ATOM 14 CB SER A 2 -15.505 -8.262 -2.334 1.00 0.00 C ATOM 15 OG SER A 2 -14.688 -9.198 -1.652 1.00 0.00 O ATOM 0 H SER A 2 -15.888 -10.685 -2.123 1.00 0.00 H new ATOM 0 HA SER A 2 -17.628 -8.434 -2.668 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.925 -7.764 -3.111 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.839 -7.490 -1.641 1.00 0.00 H new ATOM 0 HG SER A 2 -14.362 -8.801 -0.817 1.00 0.00 H new 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 H LEU A 3 -16.070 -6.908 -4.479 1.00 0.00 H new 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 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 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 -0.365 -5.612 -10.277 1.00 0.00 O flip ATOM 348 NE2 GLN A 24 -1.349 -7.412 -11.161 1.00 0.00 N flip 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 -2.141 -8.053 -11.209 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.540 -7.555 -11.766 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 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 0 HE2 HIS A 27 -9.204 -7.716 1.008 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 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 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 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 544 N CYS A 38 8.533 -11.700 3.615 1.00 0.00 N ATOM 545 CA CYS A 38 7.900 -12.466 4.680 1.00 0.00 C ATOM 546 C CYS A 38 6.386 -12.454 4.526 1.00 0.00 C ATOM 547 O CYS A 38 5.763 -13.500 4.352 1.00 0.00 O ATOM 548 CB CYS A 38 8.307 -11.913 6.041 1.00 0.00 C ATOM 549 SG CYS A 38 10.091 -11.914 6.324 1.00 0.00 S ATOM 0 H CYS A 38 9.021 -10.861 3.930 1.00 0.00 H new ATOM 0 HA CYS A 38 8.238 -13.500 4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.934 -10.893 6.135 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.824 -12.502 6.821 1.00 0.00 H new ATOM 0 HG CYS A 38 10.344 -11.426 7.502 1.00 0.00 H new ATOM 555 N ARG A 39 5.797 -11.268 4.546 1.00 0.00 N ATOM 556 CA ARG A 39 4.364 -11.144 4.354 1.00 0.00 C ATOM 557 C ARG A 39 4.010 -11.326 2.882 1.00 0.00 C ATOM 558 O ARG A 39 3.299 -12.264 2.523 1.00 0.00 O ATOM 559 CB ARG A 39 3.868 -9.786 4.851 1.00 0.00 C ATOM 560 CG ARG A 39 2.617 -9.881 5.707 1.00 0.00 C ATOM 561 CD ARG A 39 1.354 -9.766 4.865 1.00 0.00 C ATOM 562 NE ARG A 39 0.218 -9.272 5.642 1.00 0.00 N ATOM 563 CZ ARG A 39 -0.658 -10.059 6.264 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.556 -11.379 6.182 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.645 -9.525 6.972 1.00 0.00 N ATOM 0 H ARG A 39 6.286 -10.385 4.692 1.00 0.00 H new ATOM 0 HA ARG A 39 3.872 -11.925 4.934 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.659 -9.307 5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.665 -9.145 3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.613 -10.830 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.628 -9.091 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.538 -9.095 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.109 -10.741 4.445 1.00 0.00 H new ATOM 0 HE ARG A 39 0.089 -8.263 5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.198 -11.799 5.639 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.232 -11.974 6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.733 -8.511 7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.316 -10.128 7.448 1.00 0.00 H new ATOM 579 N LEU A 40 4.412 -10.358 2.062 1.00 0.00 N ATOM 580 CA LEU A 40 4.046 -10.333 0.646 1.00 0.00 C ATOM 581 C LEU A 40 4.279 -11.659 -0.067 1.00 0.00 C ATOM 582 O LEU A 40 3.404 -12.129 -0.790 1.00 0.00 O ATOM 583 CB LEU A 40 4.816 -9.230 -0.081 1.00 0.00 C ATOM 584 CG LEU A 40 4.248 -7.830 0.119 1.00 0.00 C ATOM 585 CD1 LEU A 40 4.207 -7.503 1.594 1.00 0.00 C ATOM 586 CD2 LEU A 40 5.066 -6.797 -0.636 1.00 0.00 C ATOM 0 H LEU A 40 4.996 -9.575 2.356 1.00 0.00 H new ATOM 0 HA LEU A 40 2.974 -10.137 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.851 -9.241 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.829 -9.455 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 40 3.234 -7.805 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.800 -6.501 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.575 -8.226 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.216 -7.545 2.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.639 -5.807 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.094 -6.812 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.053 -7.030 -1.701 1.00 0.00 H new ATOM 598 N GLY A 41 5.501 -12.152 -0.019 1.00 0.00 N ATOM 599 CA GLY A 41 5.858 -13.274 -0.860 1.00 0.00 C ATOM 600 C GLY A 41 6.331 -12.771 -2.204 1.00 0.00 C ATOM 601 O GLY A 41 5.521 -12.415 -3.063 1.00 0.00 O ATOM 0 H GLY A 41 6.248 -11.802 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.642 -13.863 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.999 -13.933 -0.989 1.00 0.00 H new ATOM 605 N GLU A 42 7.628 -12.529 -2.294 1.00 0.00 N ATOM 606 CA GLU A 42 8.198 -11.816 -3.431 1.00 0.00 C ATOM 607 C GLU A 42 8.394 -12.716 -4.642 1.00 0.00 C ATOM 608 O GLU A 42 8.896 -12.271 -5.673 1.00 0.00 O ATOM 609 CB GLU A 42 9.534 -11.176 -3.040 1.00 0.00 C ATOM 610 CG GLU A 42 10.485 -12.120 -2.321 1.00 0.00 C ATOM 611 CD GLU A 42 11.607 -12.627 -3.209 1.00 0.00 C ATOM 612 OE1 GLU A 42 11.821 -12.061 -4.306 1.00 0.00 O ATOM 613 OE2 GLU A 42 12.284 -13.599 -2.813 1.00 0.00 O ATOM 0 H GLU A 42 8.310 -12.816 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 42 7.485 -11.041 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.022 -10.800 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.339 -10.316 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.915 -11.607 -1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.922 -12.970 -1.937 1.00 0.00 H new ATOM 620 N VAL A 43 8.027 -13.981 -4.523 1.00 0.00 N ATOM 621 CA VAL A 43 8.243 -14.918 -5.612 1.00 0.00 C ATOM 622 C VAL A 43 6.997 -15.100 -6.478 1.00 0.00 C ATOM 623 O VAL A 43 7.008 -15.908 -7.408 1.00 0.00 O ATOM 624 CB VAL A 43 8.719 -16.295 -5.103 1.00 0.00 C ATOM 625 CG1 VAL A 43 10.198 -16.250 -4.759 1.00 0.00 C ATOM 626 CG2 VAL A 43 7.905 -16.754 -3.906 1.00 0.00 C ATOM 0 H VAL A 43 7.584 -14.379 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 43 9.029 -14.479 -6.227 1.00 0.00 H new ATOM 0 HB VAL A 43 8.568 -17.019 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.518 -17.229 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.770 -15.983 -5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.368 -15.506 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.266 -17.727 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.009 -16.031 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.855 -16.834 -4.189 1.00 0.00 H new ATOM 636 N GLY A 44 5.967 -14.285 -6.266 1.00 0.00 N ATOM 637 CA GLY A 44 4.831 -14.337 -7.172 1.00 0.00 C ATOM 638 C GLY A 44 3.522 -13.812 -6.604 1.00 0.00 C ATOM 639 O GLY A 44 2.468 -14.033 -7.205 1.00 0.00 O ATOM 0 H GLY A 44 5.897 -13.608 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.075 -13.765 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.684 -15.371 -7.485 1.00 0.00 H new ATOM 643 N ARG A 45 3.542 -13.178 -5.439 1.00 0.00 N ATOM 644 CA ARG A 45 2.293 -12.722 -4.839 1.00 0.00 C ATOM 645 C ARG A 45 2.171 -11.204 -4.846 1.00 0.00 C ATOM 646 O ARG A 45 1.662 -10.612 -5.795 1.00 0.00 O ATOM 647 CB ARG A 45 2.150 -13.220 -3.400 1.00 0.00 C ATOM 648 CG ARG A 45 2.088 -14.723 -3.250 1.00 0.00 C ATOM 649 CD ARG A 45 1.915 -15.093 -1.791 1.00 0.00 C ATOM 650 NE ARG A 45 0.623 -14.652 -1.277 1.00 0.00 N ATOM 651 CZ ARG A 45 0.028 -15.173 -0.208 1.00 0.00 C ATOM 652 NH1 ARG A 45 0.586 -16.186 0.444 1.00 0.00 N ATOM 653 NH2 ARG A 45 -1.138 -14.689 0.203 1.00 0.00 N ATOM 0 H ARG A 45 4.384 -12.971 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 45 1.495 -13.141 -5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.991 -12.846 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.246 -12.789 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.259 -15.121 -3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.000 -15.173 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.004 -16.173 -1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.715 -14.642 -1.203 1.00 0.00 H new ATOM 0 HE ARG A 45 0.146 -13.896 -1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.476 -16.569 0.126 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.125 -16.581 1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.576 -13.918 -0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.595 -15.088 1.023 1.00 0.00 H new ATOM 667 N ARG A 46 2.517 -10.606 -3.718 1.00 0.00 N ATOM 668 CA ARG A 46 2.301 -9.183 -3.487 1.00 0.00 C ATOM 669 C ARG A 46 3.598 -8.405 -3.692 1.00 0.00 C ATOM 670 O ARG A 46 4.678 -8.995 -3.670 1.00 0.00 O ATOM 671 CB ARG A 46 1.763 -8.986 -2.062 1.00 0.00 C ATOM 672 CG ARG A 46 1.072 -10.225 -1.499 1.00 0.00 C ATOM 673 CD ARG A 46 0.576 -10.017 -0.079 1.00 0.00 C ATOM 674 NE ARG A 46 0.990 -11.104 0.806 1.00 0.00 N ATOM 675 CZ ARG A 46 0.158 -11.808 1.575 1.00 0.00 C ATOM 676 NH1 ARG A 46 -1.125 -11.482 1.648 1.00 0.00 N ATOM 677 NH2 ARG A 46 0.625 -12.813 2.306 1.00 0.00 N ATOM 0 H ARG A 46 2.956 -11.091 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 46 1.572 -8.802 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.588 -8.709 -1.405 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.059 -8.154 -2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.231 -10.491 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.766 -11.065 -1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.958 -9.071 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.512 -9.944 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 46 1.982 -11.340 0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.481 -10.689 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.756 -12.024 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.618 -13.045 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.009 -13.353 2.895 1.00 0.00 H new ATOM 691 N LEU A 47 3.500 -7.093 -3.921 1.00 0.00 N ATOM 692 CA LEU A 47 4.698 -6.287 -4.137 1.00 0.00 C ATOM 693 C LEU A 47 4.547 -4.838 -3.677 1.00 0.00 C ATOM 694 O LEU A 47 3.574 -4.158 -4.002 1.00 0.00 O ATOM 695 CB LEU A 47 5.134 -6.304 -5.607 1.00 0.00 C ATOM 696 CG LEU A 47 4.031 -6.437 -6.654 1.00 0.00 C ATOM 697 CD1 LEU A 47 3.410 -5.085 -6.945 1.00 0.00 C ATOM 698 CD2 LEU A 47 4.599 -7.039 -7.927 1.00 0.00 C ATOM 0 H LEU A 47 2.621 -6.577 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 47 5.466 -6.753 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.683 -5.384 -5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.833 -7.129 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 47 3.254 -7.095 -6.265 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.626 -5.198 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.982 -4.677 -6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.175 -4.406 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.807 -7.132 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.387 -6.393 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.011 -8.025 -7.711 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 H TYR A 48 6.452 -4.892 -2.890 1.00 0.00 H new 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 2.662 2.315 -0.018 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 7.537 -9.966 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.072 -9.263 -5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.939 -8.566 -4.503 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 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 956 N LEU A 61 14.314 2.588 2.635 1.00 0.00 N ATOM 957 CA LEU A 61 14.847 3.842 3.119 1.00 0.00 C ATOM 958 C LEU A 61 15.922 3.618 4.176 1.00 0.00 C ATOM 959 O LEU A 61 16.649 4.544 4.532 1.00 0.00 O ATOM 960 CB LEU A 61 13.725 4.727 3.657 1.00 0.00 C ATOM 961 CG LEU A 61 13.692 6.154 3.095 1.00 0.00 C ATOM 962 CD1 LEU A 61 14.631 6.306 1.904 1.00 0.00 C ATOM 963 CD2 LEU A 61 12.272 6.527 2.698 1.00 0.00 C ATOM 0 H LEU A 61 13.392 2.344 2.997 1.00 0.00 H new ATOM 0 HA LEU A 61 15.317 4.355 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.770 4.247 3.442 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.816 4.783 4.742 1.00 0.00 H new ATOM 0 HG LEU A 61 14.035 6.831 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.583 7.329 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.651 6.081 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.331 5.617 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.260 7.542 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.913 5.835 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.623 6.472 3.572 1.00 0.00 H new ATOM 975 N ARG A 62 16.071 2.380 4.632 1.00 0.00 N ATOM 976 CA ARG A 62 17.117 2.067 5.589 1.00 0.00 C ATOM 977 C ARG A 62 18.211 1.209 4.953 1.00 0.00 C ATOM 978 O ARG A 62 19.384 1.571 4.987 1.00 0.00 O ATOM 979 CB ARG A 62 16.535 1.370 6.815 1.00 0.00 C ATOM 980 CG ARG A 62 16.406 2.288 8.022 1.00 0.00 C ATOM 981 CD ARG A 62 17.756 2.832 8.472 1.00 0.00 C ATOM 982 NE ARG A 62 18.112 4.075 7.779 1.00 0.00 N ATOM 983 CZ ARG A 62 19.285 4.290 7.183 1.00 0.00 C ATOM 984 NH1 ARG A 62 20.231 3.357 7.210 1.00 0.00 N ATOM 985 NH2 ARG A 62 19.507 5.435 6.551 1.00 0.00 N ATOM 0 H ARG A 62 15.488 1.589 4.358 1.00 0.00 H new ATOM 0 HA ARG A 62 17.569 3.006 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.553 0.969 6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.168 0.522 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.744 3.118 7.777 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.942 1.743 8.844 1.00 0.00 H new ATOM 0 HD2 ARG A 62 17.733 3.011 9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 62 18.527 2.083 8.290 1.00 0.00 H new ATOM 0 HE ARG A 62 17.418 4.822 7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 62 20.061 2.472 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 62 21.127 3.526 6.753 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.780 6.150 6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 62 20.404 5.600 6.095 1.00 0.00 H new ATOM 999 N LEU A 63 17.826 0.102 4.329 1.00 0.00 N ATOM 1000 CA LEU A 63 18.793 -0.780 3.686 1.00 0.00 C ATOM 1001 C LEU A 63 19.302 -0.149 2.394 1.00 0.00 C ATOM 1002 O LEU A 63 20.503 -0.145 2.132 1.00 0.00 O ATOM 1003 CB LEU A 63 18.184 -2.165 3.421 1.00 0.00 C ATOM 1004 CG LEU A 63 17.728 -2.431 1.983 1.00 0.00 C ATOM 1005 CD1 LEU A 63 18.494 -3.603 1.390 1.00 0.00 C ATOM 1006 CD2 LEU A 63 16.231 -2.689 1.933 1.00 0.00 C ATOM 0 H LEU A 63 16.856 -0.205 4.255 1.00 0.00 H new ATOM 0 HA LEU A 63 19.639 -0.916 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 63 18.919 -2.922 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 63 17.328 -2.297 4.083 1.00 0.00 H new ATOM 0 HG LEU A 63 17.940 -1.544 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 63 18.157 -3.778 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.560 -3.377 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 63 18.314 -4.496 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.928 -2.876 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.991 -3.559 2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 63 15.699 -1.818 2.316 1.00 0.00 H new ATOM 1018 N GLY A 64 18.398 0.483 1.654 1.00 0.00 N ATOM 1019 CA GLY A 64 18.784 1.209 0.460 1.00 0.00 C ATOM 1020 C GLY A 64 19.272 2.597 0.803 1.00 0.00 C ATOM 1021 O GLY A 64 20.068 3.188 0.073 1.00 0.00 O ATOM 0 H GLY A 64 17.400 0.505 1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.569 0.663 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.934 1.276 -0.219 1.00 0.00 H new ATOM 1025 N GLY A 65 18.896 3.049 1.996 1.00 0.00 N ATOM 1026 CA GLY A 65 19.386 4.306 2.524 1.00 0.00 C ATOM 1027 C GLY A 65 20.773 4.153 3.120 1.00 0.00 C ATOM 1028 O GLY A 65 21.031 4.595 4.242 1.00 0.00 O ATOM 0 H GLY A 65 18.250 2.557 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 65 19.410 5.052 1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 65 18.699 4.675 3.286 1.00 0.00 H new ATOM 1032 N SER A 66 21.618 3.395 2.428 1.00 0.00 N ATOM 1033 CA SER A 66 22.932 3.012 2.928 1.00 0.00 C ATOM 1034 C SER A 66 23.900 4.197 3.015 1.00 0.00 C ATOM 1035 O SER A 66 25.049 4.037 3.436 1.00 0.00 O ATOM 1036 CB SER A 66 23.506 1.919 2.029 1.00 0.00 C ATOM 1037 OG SER A 66 22.484 1.331 1.240 1.00 0.00 O ATOM 0 H SER A 66 21.408 3.028 1.500 1.00 0.00 H new ATOM 0 HA SER A 66 22.809 2.640 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 66 24.275 2.340 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 66 23.987 1.154 2.639 1.00 0.00 H new ATOM 0 HG SER A 66 21.750 1.039 1.820 1.00 0.00 H new ATOM 1043 N GLY A 67 23.404 5.398 2.742 1.00 0.00 N ATOM 1044 CA GLY A 67 24.215 6.590 2.904 1.00 0.00 C ATOM 1045 C GLY A 67 24.313 7.016 4.357 1.00 0.00 C ATOM 1046 O GLY A 67 24.740 8.133 4.657 1.00 0.00 O ATOM 0 H GLY A 67 22.454 5.568 2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 67 25.215 6.404 2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 67 23.788 7.402 2.316 1.00 0.00 H new ATOM 1050 N GLY A 68 23.886 6.131 5.254 1.00 0.00 N ATOM 1051 CA GLY A 68 23.903 6.427 6.671 1.00 0.00 C ATOM 1052 C GLY A 68 22.900 7.494 7.023 1.00 0.00 C ATOM 1053 O GLY A 68 21.695 7.294 6.863 1.00 0.00 O ATOM 0 H GLY A 68 23.526 5.206 5.018 1.00 0.00 H new ATOM 0 HA2 GLY A 68 23.685 5.521 7.236 1.00 0.00 H new ATOM 0 HA3 GLY A 68 24.901 6.753 6.964 1.00 0.00 H new ATOM 1057 N HIS A 69 23.396 8.670 7.348 1.00 0.00 N ATOM 1058 CA HIS A 69 22.535 9.817 7.560 1.00 0.00 C ATOM 1059 C HIS A 69 23.019 10.985 6.732 1.00 0.00 C ATOM 1060 O HIS A 69 24.220 11.218 6.597 1.00 0.00 O ATOM 1061 CB HIS A 69 22.463 10.248 9.027 1.00 0.00 C ATOM 1062 CG HIS A 69 23.217 9.375 9.989 1.00 0.00 C ATOM 1063 ND1 HIS A 69 24.578 9.491 10.155 1.00 0.00 N ATOM 1064 CD2 HIS A 69 22.755 8.402 10.809 1.00 0.00 C ATOM 1065 CE1 HIS A 69 24.909 8.591 11.068 1.00 0.00 C ATOM 1066 NE2 HIS A 69 23.837 7.910 11.490 1.00 0.00 N ATOM 0 H HIS A 69 24.391 8.858 7.471 1.00 0.00 H new ATOM 0 HA HIS A 69 21.534 9.513 7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 69 22.845 11.266 9.109 1.00 0.00 H new ATOM 0 HB3 HIS A 69 21.416 10.275 9.330 1.00 0.00 H new ATOM 0 HD2 HIS A 69 21.730 8.076 10.907 1.00 0.00 H new ATOM 0 HE1 HIS A 69 25.915 8.427 11.426 1.00 0.00 H new ATOM 0 HE2 HIS A 69 23.827 7.165 12.187 1.00 0.00 H new ATOM 1074 N MET A 70 22.070 11.724 6.208 1.00 0.00 N ATOM 1075 CA MET A 70 22.350 12.911 5.428 1.00 0.00 C ATOM 1076 C MET A 70 21.876 14.123 6.204 1.00 0.00 C ATOM 1077 O MET A 70 22.381 15.236 6.054 1.00 0.00 O ATOM 1078 CB MET A 70 21.624 12.795 4.088 1.00 0.00 C ATOM 1079 CG MET A 70 20.314 13.560 4.018 1.00 0.00 C ATOM 1080 SD MET A 70 20.141 14.555 2.523 1.00 0.00 S ATOM 1081 CE MET A 70 18.808 13.690 1.695 1.00 0.00 C ATOM 0 H MET A 70 21.076 11.520 6.310 1.00 0.00 H new ATOM 0 HA MET A 70 23.418 13.015 5.238 1.00 0.00 H new ATOM 0 HB2 MET A 70 22.284 13.155 3.298 1.00 0.00 H new ATOM 0 HB3 MET A 70 21.428 11.742 3.884 1.00 0.00 H new ATOM 0 HG2 MET A 70 19.486 12.853 4.072 1.00 0.00 H new ATOM 0 HG3 MET A 70 20.235 14.210 4.889 1.00 0.00 H new ATOM 0 HE1 MET A 70 18.583 14.186 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 70 19.108 12.660 1.501 1.00 0.00 H new ATOM 0 HE3 MET A 70 17.921 13.697 2.328 1.00 0.00 H new ATOM 1091 N GLY A 71 20.818 13.886 6.952 1.00 0.00 N ATOM 1092 CA GLY A 71 20.150 14.940 7.680 1.00 0.00 C ATOM 1093 C GLY A 71 18.663 14.905 7.428 1.00 0.00 C ATOM 1094 O GLY A 71 18.029 15.939 7.224 1.00 0.00 O ATOM 0 H GLY A 71 20.401 12.963 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 71 20.345 14.832 8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.552 15.907 7.379 1.00 0.00 H new ATOM 1098 N SER A 72 18.135 13.697 7.321 1.00 0.00 N ATOM 1099 CA SER A 72 16.740 13.494 6.988 1.00 0.00 C ATOM 1100 C SER A 72 15.989 12.890 8.169 1.00 0.00 C ATOM 1101 O SER A 72 16.432 12.997 9.317 1.00 0.00 O ATOM 1102 CB SER A 72 16.640 12.580 5.771 1.00 0.00 C ATOM 1103 OG SER A 72 17.924 12.180 5.323 1.00 0.00 O ATOM 0 H SER A 72 18.661 12.835 7.462 1.00 0.00 H new ATOM 0 HA SER A 72 16.284 14.457 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.049 11.699 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.116 13.097 4.967 1.00 0.00 H new ATOM 0 HG SER A 72 18.151 11.311 5.714 1.00 0.00 H new ATOM 1109 N GLY A 73 14.862 12.247 7.886 1.00 0.00 N ATOM 1110 CA GLY A 73 14.079 11.633 8.935 1.00 0.00 C ATOM 1111 C GLY A 73 14.559 10.236 9.278 1.00 0.00 C ATOM 1112 O GLY A 73 15.429 10.062 10.131 1.00 0.00 O ATOM 0 H GLY A 73 14.478 12.141 6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.121 12.257 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.035 11.589 8.626 1.00 0.00 H new ATOM 1116 N GLY A 74 13.970 9.241 8.634 1.00 0.00 N ATOM 1117 CA GLY A 74 14.296 7.862 8.932 1.00 0.00 C ATOM 1118 C GLY A 74 13.575 7.394 10.174 1.00 0.00 C ATOM 1119 O GLY A 74 12.350 7.257 10.177 1.00 0.00 O ATOM 0 H GLY A 74 13.267 9.365 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.023 7.229 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.372 7.760 9.071 1.00 0.00 H new ATOM 1123 N ASP A 75 14.305 7.312 11.270 1.00 0.00 N ATOM 1124 CA ASP A 75 13.708 7.025 12.563 1.00 0.00 C ATOM 1125 C ASP A 75 13.791 8.262 13.445 1.00 0.00 C ATOM 1126 O ASP A 75 14.843 8.570 14.015 1.00 0.00 O ATOM 1127 CB ASP A 75 14.400 5.839 13.235 1.00 0.00 C ATOM 1128 CG ASP A 75 13.938 5.618 14.663 1.00 0.00 C ATOM 1129 OD1 ASP A 75 12.736 5.817 14.951 1.00 0.00 O ATOM 1130 OD2 ASP A 75 14.777 5.239 15.506 1.00 0.00 O ATOM 0 H ASP A 75 15.317 7.440 11.292 1.00 0.00 H new ATOM 0 HA ASP A 75 12.662 6.757 12.416 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.210 4.937 12.653 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.478 6.002 13.228 1.00 0.00 H new ATOM 1135 N VAL A 76 12.709 9.022 13.458 1.00 0.00 N ATOM 1136 CA VAL A 76 12.649 10.276 14.186 1.00 0.00 C ATOM 1137 C VAL A 76 11.390 10.316 15.038 1.00 0.00 C ATOM 1138 O VAL A 76 10.316 9.919 14.581 1.00 0.00 O ATOM 1139 CB VAL A 76 12.660 11.481 13.214 1.00 0.00 C ATOM 1140 CG1 VAL A 76 12.116 12.741 13.872 1.00 0.00 C ATOM 1141 CG2 VAL A 76 14.064 11.725 12.688 1.00 0.00 C ATOM 0 H VAL A 76 11.848 8.786 12.964 1.00 0.00 H new ATOM 0 HA VAL A 76 13.528 10.343 14.828 1.00 0.00 H new ATOM 0 HB VAL A 76 12.005 11.235 12.378 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.140 13.564 13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.089 12.569 14.193 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.729 12.993 14.737 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.054 12.575 12.006 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.733 11.936 13.522 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.413 10.839 12.158 1.00 0.00 H new ATOM 1151 N MET A 77 11.529 10.766 16.278 1.00 0.00 N ATOM 1152 CA MET A 77 10.401 10.861 17.186 1.00 0.00 C ATOM 1153 C MET A 77 9.440 11.951 16.733 1.00 0.00 C ATOM 1154 O MET A 77 9.680 13.140 16.955 1.00 0.00 O ATOM 1155 CB MET A 77 10.885 11.142 18.604 1.00 0.00 C ATOM 1156 CG MET A 77 11.794 10.056 19.134 1.00 0.00 C ATOM 1157 SD MET A 77 12.030 10.139 20.919 1.00 0.00 S ATOM 1158 CE MET A 77 13.748 10.636 21.007 1.00 0.00 C ATOM 0 H MET A 77 12.417 11.071 16.676 1.00 0.00 H new ATOM 0 HA MET A 77 9.872 9.908 17.178 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.415 12.094 18.621 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.024 11.244 19.264 1.00 0.00 H new ATOM 0 HG2 MET A 77 11.378 9.083 18.874 1.00 0.00 H new ATOM 0 HG3 MET A 77 12.764 10.130 18.642 1.00 0.00 H new ATOM 0 HE1 MET A 77 14.046 10.731 22.051 1.00 0.00 H new ATOM 0 HE2 MET A 77 14.369 9.885 20.519 1.00 0.00 H new ATOM 0 HE3 MET A 77 13.876 11.595 20.505 1.00 0.00 H new ATOM 1168 N VAL A 78 8.375 11.544 16.062 1.00 0.00 N ATOM 1169 CA VAL A 78 7.389 12.481 15.547 1.00 0.00 C ATOM 1170 C VAL A 78 6.065 12.306 16.275 1.00 0.00 C ATOM 1171 O VAL A 78 5.959 11.497 17.199 1.00 0.00 O ATOM 1172 CB VAL A 78 7.158 12.307 14.029 1.00 0.00 C ATOM 1173 CG1 VAL A 78 8.277 12.964 13.235 1.00 0.00 C ATOM 1174 CG2 VAL A 78 7.027 10.835 13.660 1.00 0.00 C ATOM 0 H VAL A 78 8.170 10.565 15.860 1.00 0.00 H new ATOM 0 HA VAL A 78 7.782 13.483 15.719 1.00 0.00 H new ATOM 0 HB VAL A 78 6.221 12.802 13.773 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.094 12.829 12.169 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.310 14.029 13.466 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.229 12.505 13.501 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.865 10.742 12.586 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.940 10.308 13.936 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.182 10.400 14.193 1.00 0.00 H new ATOM 1184 N VAL A 79 5.065 13.075 15.869 1.00 0.00 N ATOM 1185 CA VAL A 79 3.755 13.010 16.496 1.00 0.00 C ATOM 1186 C VAL A 79 2.947 11.821 15.963 1.00 0.00 C ATOM 1187 O VAL A 79 1.956 11.410 16.568 1.00 0.00 O ATOM 1188 CB VAL A 79 2.973 14.329 16.290 1.00 0.00 C ATOM 1189 CG1 VAL A 79 2.433 14.439 14.873 1.00 0.00 C ATOM 1190 CG2 VAL A 79 1.849 14.453 17.305 1.00 0.00 C ATOM 0 H VAL A 79 5.137 13.751 15.108 1.00 0.00 H new ATOM 0 HA VAL A 79 3.909 12.867 17.566 1.00 0.00 H new ATOM 0 HB VAL A 79 3.669 15.154 16.445 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.889 15.377 14.763 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.261 14.414 14.165 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.761 13.604 14.674 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.313 15.388 17.142 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.161 13.615 17.190 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.266 14.445 18.312 1.00 0.00 H new ATOM 1200 N GLY A 80 3.417 11.229 14.872 1.00 0.00 N ATOM 1201 CA GLY A 80 2.758 10.063 14.321 1.00 0.00 C ATOM 1202 C GLY A 80 3.287 9.696 12.955 1.00 0.00 C ATOM 1203 O GLY A 80 3.980 8.690 12.799 1.00 0.00 O ATOM 0 H GLY A 80 4.243 11.537 14.359 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.891 9.219 14.998 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.687 10.252 14.254 1.00 0.00 H new ATOM 1207 N GLU A 81 2.993 10.529 11.968 1.00 0.00 N ATOM 1208 CA GLU A 81 3.458 10.295 10.609 1.00 0.00 C ATOM 1209 C GLU A 81 4.717 11.099 10.335 1.00 0.00 C ATOM 1210 O GLU A 81 4.881 12.204 10.859 1.00 0.00 O ATOM 1211 CB GLU A 81 2.379 10.672 9.585 1.00 0.00 C ATOM 1212 CG GLU A 81 0.959 10.417 10.059 1.00 0.00 C ATOM 1213 CD GLU A 81 0.679 8.951 10.300 1.00 0.00 C ATOM 1214 OE1 GLU A 81 1.251 8.105 9.583 1.00 0.00 O ATOM 1215 OE2 GLU A 81 -0.116 8.639 11.209 1.00 0.00 O ATOM 0 H GLU A 81 2.434 11.374 12.083 1.00 0.00 H new ATOM 0 HA GLU A 81 3.678 9.232 10.511 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.483 11.728 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.551 10.109 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.782 10.973 10.980 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.258 10.799 9.317 1.00 0.00 H new ATOM 1222 N PRO A 82 5.633 10.560 9.522 1.00 0.00 N ATOM 1223 CA PRO A 82 6.861 11.254 9.160 1.00 0.00 C ATOM 1224 C PRO A 82 6.596 12.363 8.151 1.00 0.00 C ATOM 1225 O PRO A 82 5.662 12.283 7.351 1.00 0.00 O ATOM 1226 CB PRO A 82 7.742 10.168 8.533 1.00 0.00 C ATOM 1227 CG PRO A 82 6.995 8.879 8.702 1.00 0.00 C ATOM 1228 CD PRO A 82 5.549 9.246 8.878 1.00 0.00 C ATOM 0 HA PRO A 82 7.325 11.733 10.023 1.00 0.00 H new ATOM 0 HB2 PRO A 82 7.927 10.376 7.479 1.00 0.00 H new ATOM 0 HB3 PRO A 82 8.714 10.123 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.129 8.236 7.832 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.364 8.327 9.567 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.023 9.294 7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.019 8.523 9.498 1.00 0.00 H new ATOM 1236 N THR A 83 7.391 13.410 8.226 1.00 0.00 N ATOM 1237 CA THR A 83 7.232 14.560 7.361 1.00 0.00 C ATOM 1238 C THR A 83 8.408 14.671 6.397 1.00 0.00 C ATOM 1239 O THR A 83 9.438 14.017 6.589 1.00 0.00 O ATOM 1240 CB THR A 83 7.134 15.843 8.204 1.00 0.00 C ATOM 1241 OG1 THR A 83 7.632 15.583 9.527 1.00 0.00 O ATOM 1242 CG2 THR A 83 5.697 16.319 8.295 1.00 0.00 C ATOM 0 H THR A 83 8.164 13.488 8.887 1.00 0.00 H new ATOM 0 HA THR A 83 6.315 14.434 6.785 1.00 0.00 H new ATOM 0 HB THR A 83 7.730 16.620 7.725 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.572 16.400 10.065 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.652 17.227 8.896 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.318 16.527 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.086 15.545 8.761 1.00 0.00 H new ATOM 1250 N LEU A 84 8.260 15.504 5.372 1.00 0.00 N ATOM 1251 CA LEU A 84 9.334 15.724 4.413 1.00 0.00 C ATOM 1252 C LEU A 84 10.463 16.509 5.074 1.00 0.00 C ATOM 1253 O LEU A 84 10.350 17.715 5.301 1.00 0.00 O ATOM 1254 CB LEU A 84 8.810 16.473 3.181 1.00 0.00 C ATOM 1255 CG LEU A 84 7.569 15.863 2.527 1.00 0.00 C ATOM 1256 CD1 LEU A 84 6.783 16.927 1.778 1.00 0.00 C ATOM 1257 CD2 LEU A 84 7.957 14.731 1.590 1.00 0.00 C ATOM 0 H LEU A 84 7.410 16.036 5.185 1.00 0.00 H new ATOM 0 HA LEU A 84 9.718 14.758 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.582 17.499 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.606 16.520 2.438 1.00 0.00 H new ATOM 0 HG LEU A 84 6.935 15.455 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.904 16.474 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.469 17.705 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.411 17.365 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.060 14.311 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.614 15.114 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.476 13.955 2.152 1.00 0.00 H new ATOM 1269 N MET A 85 11.491 15.792 5.507 1.00 0.00 N ATOM 1270 CA MET A 85 12.568 16.391 6.280 1.00 0.00 C ATOM 1271 C MET A 85 13.885 16.342 5.515 1.00 0.00 C ATOM 1272 O MET A 85 14.944 16.090 6.090 1.00 0.00 O ATOM 1273 CB MET A 85 12.709 15.667 7.622 1.00 0.00 C ATOM 1274 CG MET A 85 12.688 16.597 8.824 1.00 0.00 C ATOM 1275 SD MET A 85 11.517 16.070 10.091 1.00 0.00 S ATOM 1276 CE MET A 85 12.159 14.447 10.495 1.00 0.00 C ATOM 0 H MET A 85 11.601 14.793 5.335 1.00 0.00 H new ATOM 0 HA MET A 85 12.321 17.438 6.459 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.901 14.942 7.720 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.643 15.105 7.625 1.00 0.00 H new ATOM 0 HG2 MET A 85 13.687 16.647 9.257 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.432 17.604 8.495 1.00 0.00 H new ATOM 0 HE1 MET A 85 11.410 13.889 11.056 1.00 0.00 H new ATOM 0 HE2 MET A 85 12.398 13.911 9.576 1.00 0.00 H new ATOM 0 HE3 MET A 85 13.060 14.552 11.099 1.00 0.00 H new ATOM 1286 N GLY A 86 13.800 16.487 4.203 1.00 0.00 N ATOM 1287 CA GLY A 86 14.981 16.405 3.365 1.00 0.00 C ATOM 1288 C GLY A 86 15.067 15.069 2.666 1.00 0.00 C ATOM 1289 O GLY A 86 15.449 14.983 1.497 1.00 0.00 O ATOM 0 H GLY A 86 12.930 16.661 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.960 17.204 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.872 16.557 3.973 1.00 0.00 H new ATOM 1293 N GLY A 87 14.671 14.030 3.378 1.00 0.00 N ATOM 1294 CA GLY A 87 14.656 12.697 2.822 1.00 0.00 C ATOM 1295 C GLY A 87 14.157 11.695 3.834 1.00 0.00 C ATOM 1296 O GLY A 87 13.699 12.096 4.910 1.00 0.00 O ATOM 0 H GLY A 87 14.355 14.088 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.019 12.675 1.938 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.660 12.423 2.498 1.00 0.00 H new ATOM 1300 N GLU A 88 14.400 10.414 3.555 1.00 0.00 N ATOM 1301 CA GLU A 88 14.096 9.323 4.461 1.00 0.00 C ATOM 1302 C GLU A 88 12.782 9.520 5.215 1.00 0.00 C ATOM 1303 O GLU A 88 12.765 9.903 6.385 1.00 0.00 O ATOM 1304 CB GLU A 88 15.250 9.143 5.429 1.00 0.00 C ATOM 1305 CG GLU A 88 16.489 8.533 4.794 1.00 0.00 C ATOM 1306 CD GLU A 88 17.702 8.612 5.693 1.00 0.00 C ATOM 1307 OE1 GLU A 88 17.922 7.671 6.488 1.00 0.00 O ATOM 1308 OE2 GLU A 88 18.446 9.614 5.607 1.00 0.00 O ATOM 0 H GLU A 88 14.820 10.108 2.677 1.00 0.00 H new ATOM 0 HA GLU A 88 13.966 8.422 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.510 10.112 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.925 8.509 6.254 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.291 7.490 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.702 9.046 3.856 1.00 0.00 H new ATOM 1315 N PHE A 89 11.689 9.221 4.546 1.00 0.00 N ATOM 1316 CA PHE A 89 10.371 9.308 5.148 1.00 0.00 C ATOM 1317 C PHE A 89 9.899 7.914 5.551 1.00 0.00 C ATOM 1318 O PHE A 89 10.718 7.037 5.837 1.00 0.00 O ATOM 1319 CB PHE A 89 9.391 9.949 4.159 1.00 0.00 C ATOM 1320 CG PHE A 89 10.066 10.779 3.102 1.00 0.00 C ATOM 1321 CD1 PHE A 89 10.360 12.112 3.333 1.00 0.00 C ATOM 1322 CD2 PHE A 89 10.416 10.220 1.882 1.00 0.00 C ATOM 1323 CE1 PHE A 89 10.989 12.873 2.367 1.00 0.00 C ATOM 1324 CE2 PHE A 89 11.048 10.976 0.914 1.00 0.00 C ATOM 1325 CZ PHE A 89 11.335 12.303 1.158 1.00 0.00 C ATOM 0 H PHE A 89 11.686 8.912 3.574 1.00 0.00 H new ATOM 0 HA PHE A 89 10.417 9.931 6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.808 9.164 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.689 10.576 4.709 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.095 12.562 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 89 10.192 9.182 1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 89 11.210 13.913 2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.317 10.529 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.830 12.896 0.403 1.00 0.00 H new ATOM 1335 N GLY A 90 8.599 7.682 5.478 1.00 0.00 N ATOM 1336 CA GLY A 90 8.077 6.359 5.722 1.00 0.00 C ATOM 1337 C GLY A 90 7.970 5.587 4.431 1.00 0.00 C ATOM 1338 O GLY A 90 8.915 4.917 4.015 1.00 0.00 O ATOM 0 H GLY A 90 7.897 8.387 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.727 5.828 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.096 6.430 6.193 1.00 0.00 H new ATOM 1342 N ASP A 91 6.862 5.767 3.740 1.00 0.00 N ATOM 1343 CA ASP A 91 6.678 5.181 2.443 1.00 0.00 C ATOM 1344 C ASP A 91 6.342 6.279 1.442 1.00 0.00 C ATOM 1345 O ASP A 91 7.145 7.191 1.237 1.00 0.00 O ATOM 1346 CB ASP A 91 5.590 4.106 2.497 1.00 0.00 C ATOM 1347 CG ASP A 91 4.484 4.427 3.479 1.00 0.00 C ATOM 1348 OD1 ASP A 91 3.598 5.241 3.140 1.00 0.00 O ATOM 1349 OD2 ASP A 91 4.506 3.877 4.599 1.00 0.00 O ATOM 0 H ASP A 91 6.071 6.323 4.067 1.00 0.00 H new ATOM 0 HA ASP A 91 7.597 4.693 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.160 3.983 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.043 3.153 2.769 1.00 0.00 H new ATOM 1354 N GLU A 92 5.156 6.200 0.846 1.00 0.00 N ATOM 1355 CA GLU A 92 4.672 7.189 -0.133 1.00 0.00 C ATOM 1356 C GLU A 92 5.546 7.238 -1.390 1.00 0.00 C ATOM 1357 O GLU A 92 5.267 7.984 -2.327 1.00 0.00 O ATOM 1358 CB GLU A 92 4.614 8.574 0.502 1.00 0.00 C ATOM 1359 CG GLU A 92 3.461 8.749 1.474 1.00 0.00 C ATOM 1360 CD GLU A 92 3.646 9.937 2.389 1.00 0.00 C ATOM 1361 OE1 GLU A 92 3.568 11.085 1.907 1.00 0.00 O ATOM 1362 OE2 GLU A 92 3.858 9.735 3.602 1.00 0.00 O ATOM 0 H GLU A 92 4.493 5.445 1.025 1.00 0.00 H new ATOM 0 HA GLU A 92 3.672 6.877 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.551 8.764 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.531 9.323 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.534 8.868 0.914 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.357 7.845 2.075 1.00 0.00 H new ATOM 1369 N ASP A 93 6.642 6.509 -1.355 1.00 0.00 N ATOM 1370 CA ASP A 93 7.632 6.527 -2.423 1.00 0.00 C ATOM 1371 C ASP A 93 7.350 5.421 -3.434 1.00 0.00 C ATOM 1372 O ASP A 93 7.929 5.399 -4.519 1.00 0.00 O ATOM 1373 CB ASP A 93 9.033 6.364 -1.818 1.00 0.00 C ATOM 1374 CG ASP A 93 10.133 6.267 -2.856 1.00 0.00 C ATOM 1375 OD1 ASP A 93 10.610 7.323 -3.328 1.00 0.00 O ATOM 1376 OD2 ASP A 93 10.541 5.137 -3.191 1.00 0.00 O ATOM 0 H ASP A 93 6.876 5.883 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 93 7.578 7.481 -2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.237 7.210 -1.162 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.050 5.468 -1.197 1.00 0.00 H new ATOM 1381 N GLU A 94 6.441 4.518 -3.074 1.00 0.00 N ATOM 1382 CA GLU A 94 6.051 3.414 -3.945 1.00 0.00 C ATOM 1383 C GLU A 94 5.652 3.921 -5.329 1.00 0.00 C ATOM 1384 O GLU A 94 5.142 5.035 -5.469 1.00 0.00 O ATOM 1385 CB GLU A 94 4.900 2.628 -3.317 1.00 0.00 C ATOM 1386 CG GLU A 94 3.761 3.505 -2.821 1.00 0.00 C ATOM 1387 CD GLU A 94 3.862 3.809 -1.341 1.00 0.00 C ATOM 1388 OE1 GLU A 94 4.996 3.906 -0.830 1.00 0.00 O ATOM 1389 OE2 GLU A 94 2.808 3.947 -0.685 1.00 0.00 O ATOM 0 H GLU A 94 5.957 4.531 -2.176 1.00 0.00 H new ATOM 0 HA GLU A 94 6.910 2.753 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.511 1.922 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.285 2.041 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.757 4.440 -3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.811 3.009 -3.022 1.00 0.00 H new ATOM 1396 N ARG A 95 6.024 3.154 -6.349 1.00 0.00 N ATOM 1397 CA ARG A 95 5.849 3.565 -7.738 1.00 0.00 C ATOM 1398 C ARG A 95 4.401 3.929 -8.049 1.00 0.00 C ATOM 1399 O ARG A 95 4.067 5.104 -8.194 1.00 0.00 O ATOM 1400 CB ARG A 95 6.316 2.452 -8.679 1.00 0.00 C ATOM 1401 CG ARG A 95 6.880 2.965 -9.993 1.00 0.00 C ATOM 1402 CD ARG A 95 7.649 1.883 -10.740 1.00 0.00 C ATOM 1403 NE ARG A 95 6.874 1.322 -11.846 1.00 0.00 N ATOM 1404 CZ ARG A 95 6.660 1.948 -13.006 1.00 0.00 C ATOM 1405 NH1 ARG A 95 7.242 3.117 -13.253 1.00 0.00 N ATOM 1406 NH2 ARG A 95 5.886 1.390 -13.927 1.00 0.00 N ATOM 0 H ARG A 95 6.453 2.235 -6.237 1.00 0.00 H new ATOM 0 HA ARG A 95 6.456 4.457 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.077 1.856 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.477 1.788 -8.888 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.066 3.331 -10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.539 3.811 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.580 2.300 -11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.919 1.087 -10.047 1.00 0.00 H new ATOM 0 HE ARG A 95 6.471 0.393 -11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.855 3.539 -12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.076 3.592 -14.140 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.454 0.483 -13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.722 1.868 -14.813 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 H LEU A 96 3.804 1.942 -8.098 1.00 0.00 H new 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 ATOM 1558 N GLN A 104 -17.826 1.559 -3.034 1.00 0.00 N ATOM 1559 CA GLN A 104 -18.720 2.692 -2.846 1.00 0.00 C ATOM 1560 C GLN A 104 -19.096 2.872 -1.380 1.00 0.00 C ATOM 1561 O GLN A 104 -20.257 3.141 -1.061 1.00 0.00 O ATOM 1562 CB GLN A 104 -19.985 2.510 -3.690 1.00 0.00 C ATOM 1563 CG GLN A 104 -19.741 2.567 -5.188 1.00 0.00 C ATOM 1564 CD GLN A 104 -20.693 3.506 -5.895 1.00 0.00 C ATOM 1565 OE1 GLN A 104 -21.836 3.153 -6.184 1.00 0.00 O ATOM 1566 NE2 GLN A 104 -20.228 4.712 -6.173 1.00 0.00 N ATOM 0 H GLN A 104 -18.085 0.718 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 104 -18.192 3.589 -3.170 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -20.440 1.551 -3.442 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -20.704 3.283 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -18.716 2.887 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -19.844 1.566 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -19.273 4.962 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -20.824 5.392 -6.645 1.00 0.00 H new ATOM 1575 N PHE A 105 -18.113 2.780 -0.488 1.00 0.00 N ATOM 1576 CA PHE A 105 -18.358 3.018 0.931 1.00 0.00 C ATOM 1577 C PHE A 105 -18.471 4.516 1.194 1.00 0.00 C ATOM 1578 O PHE A 105 -17.623 5.119 1.856 1.00 0.00 O ATOM 1579 CB PHE A 105 -17.248 2.406 1.796 1.00 0.00 C ATOM 1580 CG PHE A 105 -17.645 2.181 3.232 1.00 0.00 C ATOM 1581 CD1 PHE A 105 -18.893 2.570 3.694 1.00 0.00 C ATOM 1582 CD2 PHE A 105 -16.766 1.584 4.121 1.00 0.00 C ATOM 1583 CE1 PHE A 105 -19.255 2.368 5.012 1.00 0.00 C ATOM 1584 CE2 PHE A 105 -17.123 1.379 5.440 1.00 0.00 C ATOM 1585 CZ PHE A 105 -18.369 1.773 5.886 1.00 0.00 C ATOM 0 H PHE A 105 -17.148 2.545 -0.720 1.00 0.00 H new ATOM 0 HA PHE A 105 -19.297 2.535 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -16.945 1.454 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -16.377 3.061 1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.591 3.037 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -15.789 1.275 3.779 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -20.231 2.676 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.428 0.911 6.122 1.00 0.00 H new ATOM 0 HZ PHE A 105 -18.649 1.616 6.917 1.00 0.00 H new ATOM 1595 N ASP A 106 -19.505 5.111 0.628 1.00 0.00 N ATOM 1596 CA ASP A 106 -19.750 6.536 0.770 1.00 0.00 C ATOM 1597 C ASP A 106 -20.199 6.846 2.183 1.00 0.00 C ATOM 1598 O ASP A 106 -19.504 7.525 2.933 1.00 0.00 O ATOM 1599 CB ASP A 106 -20.818 6.988 -0.220 1.00 0.00 C ATOM 1600 CG ASP A 106 -20.525 8.355 -0.800 1.00 0.00 C ATOM 1601 OD1 ASP A 106 -19.686 8.449 -1.721 1.00 0.00 O ATOM 1602 OD2 ASP A 106 -21.137 9.340 -0.348 1.00 0.00 O ATOM 0 H ASP A 106 -20.197 4.623 0.059 1.00 0.00 H new ATOM 0 HA ASP A 106 -18.824 7.072 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -20.891 6.261 -1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -21.787 7.008 0.279 1.00 0.00 H new ATOM 1607 N ALA A 107 -21.323 6.260 2.564 1.00 0.00 N ATOM 1608 CA ALA A 107 -21.829 6.395 3.919 1.00 0.00 C ATOM 1609 C ALA A 107 -22.193 5.034 4.486 1.00 0.00 C ATOM 1610 O ALA A 107 -21.684 4.627 5.529 1.00 0.00 O ATOM 1611 CB ALA A 107 -23.018 7.337 3.956 1.00 0.00 C ATOM 0 H ALA A 107 -21.903 5.685 1.952 1.00 0.00 H new ATOM 0 HA ALA A 107 -21.044 6.824 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -23.382 7.424 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -22.715 8.319 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -23.813 6.945 3.321 1.00 0.00 H new ATOM 1617 N ALA A 108 -22.990 4.295 3.740 1.00 0.00 N ATOM 1618 CA ALA A 108 -23.346 2.937 4.121 1.00 0.00 C ATOM 1619 C ALA A 108 -22.563 1.931 3.284 1.00 0.00 C ATOM 1620 O ALA A 108 -22.172 2.224 2.154 1.00 0.00 O ATOM 1621 CB ALA A 108 -24.841 2.714 3.978 1.00 0.00 C ATOM 0 H ALA A 108 -23.406 4.611 2.864 1.00 0.00 H new ATOM 0 HA ALA A 108 -23.084 2.790 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -25.086 1.692 4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -25.376 3.412 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -25.136 2.877 2.941 1.00 0.00 H new ATOM 1627 N ASN A 109 -22.257 0.786 3.882 1.00 0.00 N ATOM 1628 CA ASN A 109 -21.405 -0.222 3.252 1.00 0.00 C ATOM 1629 C ASN A 109 -22.204 -1.201 2.393 1.00 0.00 C ATOM 1630 O ASN A 109 -21.946 -2.405 2.395 1.00 0.00 O ATOM 1631 CB ASN A 109 -20.629 -0.989 4.325 1.00 0.00 C ATOM 1632 CG ASN A 109 -19.344 -1.594 3.796 1.00 0.00 C ATOM 1633 OD1 ASN A 109 -18.722 -1.066 2.874 1.00 0.00 O ATOM 1634 ND2 ASN A 109 -18.931 -2.704 4.385 1.00 0.00 N ATOM 0 H ASN A 109 -22.589 0.529 4.812 1.00 0.00 H new ATOM 0 HA ASN A 109 -20.713 0.302 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -20.396 -0.316 5.150 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -21.260 -1.781 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -18.068 -3.154 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -19.475 -3.110 5.146 1.00 0.00 H new ATOM 1641 N GLY A 110 -23.114 -0.672 1.595 1.00 0.00 N ATOM 1642 CA GLY A 110 -23.840 -1.505 0.652 1.00 0.00 C ATOM 1643 C GLY A 110 -23.314 -1.319 -0.755 1.00 0.00 C ATOM 1644 O GLY A 110 -22.102 -1.333 -0.973 1.00 0.00 O ATOM 0 H GLY A 110 -23.366 0.316 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -23.750 -2.552 0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -24.901 -1.256 0.683 1.00 0.00 H new ATOM 1648 N ILE A 111 -24.197 -0.955 -1.665 1.00 0.00 N ATOM 1649 CA ILE A 111 -23.777 -0.538 -2.991 1.00 0.00 C ATOM 1650 C ILE A 111 -23.520 0.963 -2.958 1.00 0.00 C ATOM 1651 O ILE A 111 -22.576 1.415 -2.309 1.00 0.00 O ATOM 1652 CB ILE A 111 -24.828 -0.876 -4.072 1.00 0.00 C ATOM 1653 CG1 ILE A 111 -25.353 -2.300 -3.878 1.00 0.00 C ATOM 1654 CG2 ILE A 111 -24.231 -0.719 -5.463 1.00 0.00 C ATOM 1655 CD1 ILE A 111 -26.861 -2.390 -3.884 1.00 0.00 C ATOM 0 H ILE A 111 -25.205 -0.939 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 111 -22.870 -1.081 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 111 -25.661 -0.180 -3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -24.955 -2.937 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -24.977 -2.692 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -24.985 -0.961 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -23.898 0.310 -5.602 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -23.381 -1.393 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -27.164 -3.427 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -27.265 -1.780 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -27.243 -2.028 -4.838 1.00 0.00 H new ATOM 1667 N ASP A 112 -24.478 1.732 -3.439 1.00 0.00 N ATOM 1668 CA ASP A 112 -24.446 3.171 -3.249 1.00 0.00 C ATOM 1669 C ASP A 112 -25.509 3.561 -2.238 1.00 0.00 C ATOM 1670 O ASP A 112 -26.621 3.958 -2.592 1.00 0.00 O ATOM 1671 CB ASP A 112 -24.656 3.921 -4.565 1.00 0.00 C ATOM 1672 CG ASP A 112 -24.776 5.420 -4.361 1.00 0.00 C ATOM 1673 OD1 ASP A 112 -24.008 5.984 -3.550 1.00 0.00 O ATOM 1674 OD2 ASP A 112 -25.657 6.040 -4.994 1.00 0.00 O ATOM 0 H ASP A 112 -25.284 1.388 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 112 -23.461 3.450 -2.876 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -23.822 3.713 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -25.557 3.550 -5.052 1.00 0.00 H new ATOM 1679 N ASP A 113 -25.198 3.332 -0.977 1.00 0.00 N ATOM 1680 CA ASP A 113 -26.138 3.594 0.097 1.00 0.00 C ATOM 1681 C ASP A 113 -25.603 4.694 0.993 1.00 0.00 C ATOM 1682 O ASP A 113 -24.386 4.868 1.126 1.00 0.00 O ATOM 1683 CB ASP A 113 -26.391 2.321 0.911 1.00 0.00 C ATOM 1684 CG ASP A 113 -27.775 2.288 1.535 1.00 0.00 C ATOM 1685 OD1 ASP A 113 -28.478 3.320 1.502 1.00 0.00 O ATOM 1686 OD2 ASP A 113 -28.173 1.225 2.058 1.00 0.00 O ATOM 0 H ASP A 113 -24.298 2.964 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 113 -27.084 3.918 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -26.268 1.452 0.265 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -25.641 2.243 1.698 1.00 0.00 H new ATOM 1691 N GLU A 114 -26.507 5.436 1.597 1.00 0.00 N ATOM 1692 CA GLU A 114 -26.138 6.515 2.490 1.00 0.00 C ATOM 1693 C GLU A 114 -26.687 6.239 3.879 1.00 0.00 C ATOM 1694 O GLU A 114 -25.907 6.257 4.848 1.00 0.00 O ATOM 1695 CB GLU A 114 -26.671 7.850 1.962 1.00 0.00 C ATOM 1696 CG GLU A 114 -25.704 9.013 2.136 1.00 0.00 C ATOM 1697 CD GLU A 114 -26.119 9.961 3.247 1.00 0.00 C ATOM 1698 OE1 GLU A 114 -27.243 9.817 3.774 1.00 0.00 O ATOM 1699 OE2 GLU A 114 -25.324 10.859 3.599 1.00 0.00 O ATOM 1700 OXT GLU A 114 -27.903 5.984 3.992 1.00 0.00 O ATOM 0 H GLU A 114 -27.513 5.310 1.484 1.00 0.00 H new ATOM 0 HA GLU A 114 -25.051 6.577 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -26.908 7.742 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -27.604 8.086 2.475 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -24.709 8.623 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -25.635 9.566 1.199 1.00 0.00 H new TER 1707 GLU A 114 HETATM 1708 ZN ZN A 115 -4.697 -9.506 -0.455 1.00 0.00 ZN HETATM 1709 ZN ZN A 116 10.972 -5.580 4.477 1.00 0.00 ZN