USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 HIS : no HD1:sc= -0.0205 X(o=-0.23,f=0.0078) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.213 USER MOD Set 2.1: A 1 MET CE :methyl 176:sc= -0.41 (180deg=-0.479) USER MOD Set 2.2: A 16 SER OG : rot -137:sc= -0.047 USER MOD Single : A 0 SER OG : rot -111:sc= 0.00978 USER MOD Single : A 4 HIS : no HE2:sc= 0.438 K(o=0.44,f=-5.6!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A -1 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.8) USER MOD Single : A -1 GLN N :NH3+ 142:sc= -0.265 (180deg=-1.57) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00322 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -130:sc= 0 USER MOD Single : A 26 SER OG : rot -100:sc= 0.538 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 33 THR OG1 : rot -29:sc= 0.373 USER MOD Single : A 34 ASN : amide:sc= -0.0452 X(o=-0.045,f=-0.35) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 164:sc= -0.0317 (180deg=-0.316) USER MOD Single : A 42 SER OG : rot 160:sc= 0.81 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.19 (180deg=1.03) USER MOD Single : A 46 ASN : amide:sc= -0.195 K(o=-0.2,f=-0.83) USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.276 F(o=-0.87,f=-0.28) USER MOD Single : A 53 THR OG1 : rot -111:sc= 0.134 USER MOD Single : A 59 GLN : amide:sc= -0.842 K(o=-0.84,f=-2.1!) USER MOD Single : A 65 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -4.783 14.313 -3.154 1.00 0.00 N ATOM 2 CA GLN A -1 -4.040 13.111 -3.589 1.00 0.00 C ATOM 3 C GLN A -1 -4.820 11.842 -3.240 1.00 0.00 C ATOM 4 O GLN A -1 -4.891 11.428 -2.080 1.00 0.00 O ATOM 5 CB GLN A -1 -2.616 13.074 -2.987 1.00 0.00 C ATOM 6 CG GLN A -1 -2.542 13.009 -1.461 1.00 0.00 C ATOM 7 CD GLN A -1 -3.034 14.271 -0.780 1.00 0.00 C ATOM 8 OE1 GLN A -1 -2.923 15.369 -1.323 1.00 0.00 O ATOM 9 NE2 GLN A -1 -3.598 14.117 0.403 1.00 0.00 N ATOM 0 H1 GLN A -1 -4.114 15.021 -2.789 1.00 0.00 H new ATOM 0 H2 GLN A -1 -5.303 14.711 -3.962 1.00 0.00 H new ATOM 0 H3 GLN A -1 -5.455 14.053 -2.404 1.00 0.00 H new ATOM 0 HA GLN A -1 -3.931 13.159 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -2.092 12.210 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -2.077 13.961 -3.321 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -3.133 12.162 -1.112 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -1.510 12.822 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -3.669 13.187 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -3.963 14.927 0.904 1.00 0.00 H new ATOM 20 N SER A 0 -5.432 11.249 -4.252 1.00 0.00 N ATOM 21 CA SER A 0 -6.159 10.004 -4.088 1.00 0.00 C ATOM 22 C SER A 0 -6.081 9.194 -5.378 1.00 0.00 C ATOM 23 O SER A 0 -6.574 9.623 -6.424 1.00 0.00 O ATOM 24 CB SER A 0 -7.621 10.276 -3.712 1.00 0.00 C ATOM 25 OG SER A 0 -8.310 9.070 -3.420 1.00 0.00 O ATOM 0 H SER A 0 -5.438 11.615 -5.204 1.00 0.00 H new ATOM 0 HA SER A 0 -5.704 9.432 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 0 -7.659 10.938 -2.847 1.00 0.00 H new ATOM 0 HB3 SER A 0 -8.120 10.793 -4.532 1.00 0.00 H new ATOM 0 HG SER A 0 -8.977 8.897 -4.117 1.00 0.00 H new ATOM 31 N MET A 1 -5.427 8.047 -5.304 1.00 0.00 N ATOM 32 CA MET A 1 -5.254 7.188 -6.464 1.00 0.00 C ATOM 33 C MET A 1 -6.013 5.883 -6.255 1.00 0.00 C ATOM 34 O MET A 1 -6.575 5.650 -5.186 1.00 0.00 O ATOM 35 CB MET A 1 -3.763 6.902 -6.707 1.00 0.00 C ATOM 36 CG MET A 1 -2.919 8.147 -6.969 1.00 0.00 C ATOM 37 SD MET A 1 -2.649 9.151 -5.491 1.00 0.00 S ATOM 38 CE MET A 1 -1.805 10.567 -6.193 1.00 0.00 C ATOM 0 H MET A 1 -5.005 7.687 -4.448 1.00 0.00 H new ATOM 0 HA MET A 1 -5.652 7.698 -7.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.359 6.380 -5.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.668 6.228 -7.558 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.954 7.844 -7.376 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.408 8.756 -7.729 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.634 11.311 -5.415 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.849 10.251 -6.610 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.419 11.002 -6.982 1.00 0.00 H new ATOM 48 N ALA A 2 -6.042 5.034 -7.275 1.00 0.00 N ATOM 49 CA ALA A 2 -6.728 3.752 -7.172 1.00 0.00 C ATOM 50 C ALA A 2 -5.827 2.719 -6.523 1.00 0.00 C ATOM 51 O ALA A 2 -6.274 1.643 -6.122 1.00 0.00 O ATOM 52 CB ALA A 2 -7.177 3.274 -8.544 1.00 0.00 C ATOM 0 H ALA A 2 -5.601 5.208 -8.178 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.611 3.885 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.687 2.316 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.858 4.005 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.308 3.158 -9.191 1.00 0.00 H new ATOM 58 N LEU A 3 -4.559 3.069 -6.409 1.00 0.00 N ATOM 59 CA LEU A 3 -3.558 2.171 -5.876 1.00 0.00 C ATOM 60 C LEU A 3 -2.960 2.767 -4.616 1.00 0.00 C ATOM 61 O LEU A 3 -3.013 3.980 -4.398 1.00 0.00 O ATOM 62 CB LEU A 3 -2.428 1.883 -6.880 1.00 0.00 C ATOM 63 CG LEU A 3 -2.807 1.713 -8.351 1.00 0.00 C ATOM 64 CD1 LEU A 3 -3.058 3.062 -8.979 1.00 0.00 C ATOM 65 CD2 LEU A 3 -1.707 0.978 -9.103 1.00 0.00 C ATOM 0 H LEU A 3 -4.197 3.982 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.057 1.227 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.705 2.696 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.918 0.975 -6.559 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.720 1.120 -8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.327 2.931 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.873 3.562 -8.455 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.155 3.669 -8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.994 0.866 -10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.780 1.548 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.559 -0.007 -8.660 1.00 0.00 H new ATOM 77 N HIS A 4 -2.396 1.910 -3.795 1.00 0.00 N ATOM 78 CA HIS A 4 -1.819 2.323 -2.530 1.00 0.00 C ATOM 79 C HIS A 4 -0.421 1.782 -2.414 1.00 0.00 C ATOM 80 O HIS A 4 -0.181 0.588 -2.563 1.00 0.00 O ATOM 81 CB HIS A 4 -2.634 1.843 -1.333 1.00 0.00 C ATOM 82 CG HIS A 4 -3.568 2.863 -0.748 1.00 0.00 C ATOM 83 ND1 HIS A 4 -4.935 2.726 -0.774 1.00 0.00 N ATOM 84 CD2 HIS A 4 -3.323 4.017 -0.076 1.00 0.00 C ATOM 85 CE1 HIS A 4 -5.495 3.743 -0.148 1.00 0.00 C ATOM 86 NE2 HIS A 4 -4.539 4.540 0.287 1.00 0.00 N ATOM 0 H HIS A 4 -2.323 0.910 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.816 3.413 -2.518 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.215 0.972 -1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.947 1.513 -0.554 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.440 1.955 -1.211 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.353 4.443 0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.556 3.897 -0.015 1.00 0.00 H new ATOM 95 N TYR A 5 0.483 2.670 -2.135 1.00 0.00 N ATOM 96 CA TYR A 5 1.888 2.331 -2.044 1.00 0.00 C ATOM 97 C TYR A 5 2.260 1.905 -0.631 1.00 0.00 C ATOM 98 O TYR A 5 2.155 2.690 0.309 1.00 0.00 O ATOM 99 CB TYR A 5 2.745 3.521 -2.470 1.00 0.00 C ATOM 100 CG TYR A 5 2.921 3.665 -3.966 1.00 0.00 C ATOM 101 CD1 TYR A 5 4.155 4.013 -4.487 1.00 0.00 C ATOM 102 CD2 TYR A 5 1.876 3.439 -4.850 1.00 0.00 C ATOM 103 CE1 TYR A 5 4.347 4.138 -5.847 1.00 0.00 C ATOM 104 CE2 TYR A 5 2.057 3.564 -6.216 1.00 0.00 C ATOM 105 CZ TYR A 5 3.298 3.912 -6.710 1.00 0.00 C ATOM 106 OH TYR A 5 3.491 4.029 -8.069 1.00 0.00 O ATOM 0 H TYR A 5 0.277 3.654 -1.962 1.00 0.00 H new ATOM 0 HA TYR A 5 2.076 1.493 -2.715 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.295 4.434 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.728 3.428 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.983 4.190 -3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.906 3.161 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 5 5.317 4.412 -6.234 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.232 3.390 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 5 2.652 3.836 -8.536 1.00 0.00 H new ATOM 116 N TYR A 6 2.668 0.658 -0.487 1.00 0.00 N ATOM 117 CA TYR A 6 3.231 0.160 0.760 1.00 0.00 C ATOM 118 C TYR A 6 4.594 -0.426 0.455 1.00 0.00 C ATOM 119 O TYR A 6 4.757 -1.130 -0.543 1.00 0.00 O ATOM 120 CB TYR A 6 2.332 -0.904 1.393 1.00 0.00 C ATOM 121 CG TYR A 6 0.969 -0.389 1.798 1.00 0.00 C ATOM 122 CD1 TYR A 6 0.778 0.240 3.024 1.00 0.00 C ATOM 123 CD2 TYR A 6 -0.124 -0.532 0.956 1.00 0.00 C ATOM 124 CE1 TYR A 6 -0.468 0.712 3.393 1.00 0.00 C ATOM 125 CE2 TYR A 6 -1.370 -0.063 1.319 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.536 0.557 2.538 1.00 0.00 C ATOM 127 OH TYR A 6 -2.777 1.025 2.900 1.00 0.00 O ATOM 0 H TYR A 6 2.620 -0.040 -1.229 1.00 0.00 H new ATOM 0 HA TYR A 6 3.313 0.980 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.205 -1.725 0.688 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.831 -1.313 2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.614 0.361 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.002 -1.019 0.000 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.603 1.200 4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.210 -0.181 0.651 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.419 0.837 2.184 1.00 0.00 H new ATOM 137 N CYS A 7 5.589 -0.125 1.268 1.00 0.00 N ATOM 138 CA CYS A 7 6.927 -0.533 0.914 1.00 0.00 C ATOM 139 C CYS A 7 7.214 -1.958 1.286 1.00 0.00 C ATOM 140 O CYS A 7 6.965 -2.390 2.414 1.00 0.00 O ATOM 141 CB CYS A 7 8.010 0.350 1.507 1.00 0.00 C ATOM 142 SG CYS A 7 9.480 0.274 0.450 1.00 0.00 S ATOM 0 H CYS A 7 5.499 0.383 2.148 1.00 0.00 H new ATOM 0 HA CYS A 7 6.955 -0.428 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.656 1.378 1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.255 0.019 2.516 1.00 0.00 H new ATOM 147 N ARG A 8 7.775 -2.670 0.320 1.00 0.00 N ATOM 148 CA ARG A 8 8.237 -4.012 0.540 1.00 0.00 C ATOM 149 C ARG A 8 9.342 -3.989 1.589 1.00 0.00 C ATOM 150 O ARG A 8 10.299 -3.212 1.488 1.00 0.00 O ATOM 151 CB ARG A 8 8.756 -4.643 -0.765 1.00 0.00 C ATOM 152 CG ARG A 8 10.071 -4.048 -1.255 1.00 0.00 C ATOM 153 CD ARG A 8 10.718 -4.893 -2.339 1.00 0.00 C ATOM 154 NE ARG A 8 12.151 -4.613 -2.451 1.00 0.00 N ATOM 155 CZ ARG A 8 12.968 -5.231 -3.309 1.00 0.00 C ATOM 156 NH1 ARG A 8 12.492 -6.130 -4.162 1.00 0.00 N ATOM 157 NH2 ARG A 8 14.265 -4.949 -3.309 1.00 0.00 N ATOM 0 H ARG A 8 7.918 -2.327 -0.630 1.00 0.00 H new ATOM 0 HA ARG A 8 7.403 -4.620 0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.887 -5.714 -0.613 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.001 -4.521 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.892 -3.044 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.758 -3.950 -0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.569 -5.950 -2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.232 -4.696 -3.294 1.00 0.00 H new ATOM 0 HE ARG A 8 12.550 -3.903 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 8 11.497 -6.353 -4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.122 -6.598 -4.814 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.637 -4.261 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.889 -5.420 -3.964 1.00 0.00 H new ATOM 171 N HIS A 9 9.129 -4.746 2.643 1.00 0.00 N ATOM 172 CA HIS A 9 10.169 -5.052 3.634 1.00 0.00 C ATOM 173 C HIS A 9 10.308 -3.929 4.659 1.00 0.00 C ATOM 174 O HIS A 9 10.468 -4.190 5.847 1.00 0.00 O ATOM 175 CB HIS A 9 11.515 -5.340 2.947 1.00 0.00 C ATOM 176 CG HIS A 9 12.569 -5.886 3.861 1.00 0.00 C ATOM 177 ND1 HIS A 9 13.738 -5.218 4.146 1.00 0.00 N ATOM 178 CD2 HIS A 9 12.638 -7.059 4.532 1.00 0.00 C ATOM 179 CE1 HIS A 9 14.480 -5.954 4.948 1.00 0.00 C ATOM 180 NE2 HIS A 9 13.836 -7.075 5.197 1.00 0.00 N ATOM 0 H HIS A 9 8.227 -5.175 2.849 1.00 0.00 H new ATOM 0 HA HIS A 9 9.863 -5.951 4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.351 -6.049 2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.884 -4.419 2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.889 -7.837 4.542 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.451 -5.684 5.335 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.174 -7.833 5.789 1.00 0.00 H new ATOM 189 N CYS A 10 10.251 -2.682 4.206 1.00 0.00 N ATOM 190 CA CYS A 10 10.280 -1.551 5.126 1.00 0.00 C ATOM 191 C CYS A 10 8.950 -1.444 5.866 1.00 0.00 C ATOM 192 O CYS A 10 8.894 -1.027 7.024 1.00 0.00 O ATOM 193 CB CYS A 10 10.543 -0.240 4.390 1.00 0.00 C ATOM 194 SG CYS A 10 11.936 -0.267 3.253 1.00 0.00 S ATOM 0 H CYS A 10 10.185 -2.430 3.220 1.00 0.00 H new ATOM 0 HA CYS A 10 11.091 -1.724 5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.646 0.032 3.834 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.712 0.545 5.127 1.00 0.00 H new ATOM 199 N GLY A 11 7.876 -1.815 5.167 1.00 0.00 N ATOM 200 CA GLY A 11 6.550 -1.786 5.747 1.00 0.00 C ATOM 201 C GLY A 11 6.001 -0.384 5.846 1.00 0.00 C ATOM 202 O GLY A 11 4.989 -0.152 6.506 1.00 0.00 O ATOM 0 H GLY A 11 7.908 -2.137 4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.878 -2.396 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.580 -2.233 6.740 1.00 0.00 H new ATOM 206 N VAL A 12 6.664 0.553 5.185 1.00 0.00 N ATOM 207 CA VAL A 12 6.249 1.940 5.231 1.00 0.00 C ATOM 208 C VAL A 12 5.140 2.220 4.235 1.00 0.00 C ATOM 209 O VAL A 12 5.233 1.860 3.061 1.00 0.00 O ATOM 210 CB VAL A 12 7.423 2.941 5.047 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.406 2.501 3.981 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.905 4.313 4.689 1.00 0.00 C ATOM 0 H VAL A 12 7.489 0.375 4.613 1.00 0.00 H new ATOM 0 HA VAL A 12 5.861 2.100 6.237 1.00 0.00 H new ATOM 0 HB VAL A 12 7.946 2.971 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.205 3.238 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.831 1.535 4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.890 2.413 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.744 4.998 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.341 4.257 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.255 4.676 5.485 1.00 0.00 H new ATOM 222 N LYS A 13 4.088 2.858 4.722 1.00 0.00 N ATOM 223 CA LYS A 13 2.962 3.216 3.875 1.00 0.00 C ATOM 224 C LYS A 13 3.295 4.477 3.097 1.00 0.00 C ATOM 225 O LYS A 13 3.166 5.596 3.586 1.00 0.00 O ATOM 226 CB LYS A 13 1.635 3.337 4.668 1.00 0.00 C ATOM 227 CG LYS A 13 1.734 3.926 6.077 1.00 0.00 C ATOM 228 CD LYS A 13 1.793 5.449 6.088 1.00 0.00 C ATOM 229 CE LYS A 13 0.486 6.070 5.613 1.00 0.00 C ATOM 230 NZ LYS A 13 0.521 7.556 5.679 1.00 0.00 N ATOM 0 H LYS A 13 3.990 3.138 5.698 1.00 0.00 H new ATOM 0 HA LYS A 13 2.793 2.407 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.946 3.952 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.191 2.345 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.875 3.598 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.624 3.531 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.015 5.797 7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.609 5.786 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.287 5.757 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.336 5.699 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.387 7.940 5.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.686 7.856 6.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.289 7.912 5.075 1.00 0.00 H new ATOM 244 N VAL A 14 3.761 4.275 1.879 1.00 0.00 N ATOM 245 CA VAL A 14 4.228 5.370 1.053 1.00 0.00 C ATOM 246 C VAL A 14 3.043 6.179 0.545 1.00 0.00 C ATOM 247 O VAL A 14 3.114 7.402 0.427 1.00 0.00 O ATOM 248 CB VAL A 14 5.080 4.895 -0.157 1.00 0.00 C ATOM 249 CG1 VAL A 14 6.364 5.702 -0.253 1.00 0.00 C ATOM 250 CG2 VAL A 14 5.411 3.408 -0.085 1.00 0.00 C ATOM 0 H VAL A 14 3.826 3.357 1.439 1.00 0.00 H new ATOM 0 HA VAL A 14 4.870 5.986 1.683 1.00 0.00 H new ATOM 0 HB VAL A 14 4.478 5.057 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.948 5.356 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.122 6.757 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.944 5.573 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.007 3.126 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.975 3.205 0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.487 2.830 -0.076 1.00 0.00 H new ATOM 260 N GLY A 15 1.946 5.484 0.261 1.00 0.00 N ATOM 261 CA GLY A 15 0.753 6.131 -0.231 1.00 0.00 C ATOM 262 C GLY A 15 0.902 6.487 -1.684 1.00 0.00 C ATOM 263 O GLY A 15 0.231 5.921 -2.548 1.00 0.00 O ATOM 0 H GLY A 15 1.867 4.473 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.105 5.472 -0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.555 7.031 0.351 1.00 0.00 H new ATOM 267 N SER A 16 1.822 7.400 -1.934 1.00 0.00 N ATOM 268 CA SER A 16 2.132 7.883 -3.257 1.00 0.00 C ATOM 269 C SER A 16 3.254 8.913 -3.145 1.00 0.00 C ATOM 270 O SER A 16 3.506 9.440 -2.059 1.00 0.00 O ATOM 271 CB SER A 16 0.878 8.491 -3.888 1.00 0.00 C ATOM 272 OG SER A 16 1.177 9.214 -5.071 1.00 0.00 O ATOM 0 H SER A 16 2.385 7.833 -1.202 1.00 0.00 H new ATOM 0 HA SER A 16 2.464 7.066 -3.898 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.166 7.698 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.395 9.154 -3.170 1.00 0.00 H new ATOM 0 HG SER A 16 0.672 10.054 -5.077 1.00 0.00 H new ATOM 278 N LEU A 17 3.934 9.177 -4.250 1.00 0.00 N ATOM 279 CA LEU A 17 5.053 10.116 -4.259 1.00 0.00 C ATOM 280 C LEU A 17 5.421 10.476 -5.687 1.00 0.00 C ATOM 281 O LEU A 17 5.973 11.543 -5.960 1.00 0.00 O ATOM 282 CB LEU A 17 6.280 9.550 -3.518 1.00 0.00 C ATOM 283 CG LEU A 17 6.983 8.350 -4.172 1.00 0.00 C ATOM 284 CD1 LEU A 17 8.332 8.112 -3.516 1.00 0.00 C ATOM 285 CD2 LEU A 17 6.137 7.088 -4.073 1.00 0.00 C ATOM 0 H LEU A 17 3.732 8.755 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 17 4.736 11.015 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.009 10.352 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.968 9.258 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 17 7.126 8.584 -5.227 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.821 7.259 -3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.955 8.998 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.190 7.907 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.664 6.259 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.956 6.853 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.185 7.248 -4.579 1.00 0.00 H new ATOM 297 N GLU A 18 5.115 9.568 -6.588 1.00 0.00 N ATOM 298 CA GLU A 18 5.330 9.774 -8.007 1.00 0.00 C ATOM 299 C GLU A 18 4.099 9.334 -8.792 1.00 0.00 C ATOM 300 O GLU A 18 3.935 8.162 -9.122 1.00 0.00 O ATOM 301 CB GLU A 18 6.582 9.021 -8.461 1.00 0.00 C ATOM 302 CG GLU A 18 6.703 7.622 -7.879 1.00 0.00 C ATOM 303 CD GLU A 18 8.066 7.014 -8.113 1.00 0.00 C ATOM 304 OE1 GLU A 18 8.191 6.156 -9.011 1.00 0.00 O ATOM 305 OE2 GLU A 18 9.023 7.401 -7.408 1.00 0.00 O ATOM 0 H GLU A 18 4.708 8.661 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 18 5.488 10.835 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.579 8.953 -9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.463 9.598 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.504 7.659 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.942 6.980 -8.322 1.00 0.00 H new ATOM 312 N SER A 19 3.224 10.287 -9.065 1.00 0.00 N ATOM 313 CA SER A 19 1.975 10.008 -9.751 1.00 0.00 C ATOM 314 C SER A 19 1.950 10.636 -11.136 1.00 0.00 C ATOM 315 O SER A 19 0.895 10.785 -11.751 1.00 0.00 O ATOM 316 CB SER A 19 0.809 10.530 -8.926 1.00 0.00 C ATOM 317 OG SER A 19 1.119 11.777 -8.322 1.00 0.00 O ATOM 0 H SER A 19 3.358 11.268 -8.820 1.00 0.00 H new ATOM 0 HA SER A 19 1.887 8.928 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.069 10.641 -9.563 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.553 9.804 -8.154 1.00 0.00 H new ATOM 0 HG SER A 19 0.350 12.088 -7.800 1.00 0.00 H new ATOM 323 N SER A 20 3.123 10.993 -11.608 1.00 0.00 N ATOM 324 CA SER A 20 3.289 11.641 -12.904 1.00 0.00 C ATOM 325 C SER A 20 2.697 10.798 -14.033 1.00 0.00 C ATOM 326 O SER A 20 2.024 11.319 -14.927 1.00 0.00 O ATOM 327 CB SER A 20 4.774 11.892 -13.160 1.00 0.00 C ATOM 328 OG SER A 20 5.403 12.404 -11.995 1.00 0.00 O ATOM 0 H SER A 20 3.998 10.844 -11.106 1.00 0.00 H new ATOM 0 HA SER A 20 2.752 12.589 -12.884 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.258 10.964 -13.463 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.893 12.597 -13.983 1.00 0.00 H new ATOM 0 HG SER A 20 6.354 12.557 -12.177 1.00 0.00 H new ATOM 334 N MET A 21 2.933 9.491 -13.986 1.00 0.00 N ATOM 335 CA MET A 21 2.428 8.598 -15.021 1.00 0.00 C ATOM 336 C MET A 21 1.355 7.690 -14.447 1.00 0.00 C ATOM 337 O MET A 21 0.785 6.852 -15.145 1.00 0.00 O ATOM 338 CB MET A 21 3.551 7.753 -15.620 1.00 0.00 C ATOM 339 CG MET A 21 4.166 6.761 -14.648 1.00 0.00 C ATOM 340 SD MET A 21 5.366 5.676 -15.440 1.00 0.00 S ATOM 341 CE MET A 21 5.836 4.643 -14.058 1.00 0.00 C ATOM 0 H MET A 21 3.466 9.030 -13.249 1.00 0.00 H new ATOM 0 HA MET A 21 2.001 9.211 -15.814 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.162 7.209 -16.481 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.333 8.416 -15.989 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.651 7.304 -13.837 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.376 6.158 -14.200 1.00 0.00 H new ATOM 0 HE1 MET A 21 6.578 3.914 -14.384 1.00 0.00 H new ATOM 0 HE2 MET A 21 6.260 5.263 -13.268 1.00 0.00 H new ATOM 0 HE3 MET A 21 4.957 4.122 -13.678 1.00 0.00 H new ATOM 351 N VAL A 22 1.095 7.864 -13.166 1.00 0.00 N ATOM 352 CA VAL A 22 0.114 7.067 -12.465 1.00 0.00 C ATOM 353 C VAL A 22 -1.158 7.878 -12.256 1.00 0.00 C ATOM 354 O VAL A 22 -1.327 8.546 -11.233 1.00 0.00 O ATOM 355 CB VAL A 22 0.662 6.593 -11.104 1.00 0.00 C ATOM 356 CG1 VAL A 22 -0.319 5.660 -10.426 1.00 0.00 C ATOM 357 CG2 VAL A 22 2.015 5.919 -11.270 1.00 0.00 C ATOM 0 H VAL A 22 1.559 8.562 -12.584 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.111 6.189 -13.070 1.00 0.00 H new ATOM 0 HB VAL A 22 0.794 7.470 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.088 5.338 -9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.263 6.180 -10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.490 4.789 -11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.381 5.593 -10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.913 5.055 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.722 6.625 -11.706 1.00 0.00 H new ATOM 367 N SER A 23 -2.036 7.845 -13.245 1.00 0.00 N ATOM 368 CA SER A 23 -3.278 8.594 -13.184 1.00 0.00 C ATOM 369 C SER A 23 -4.447 7.713 -13.611 1.00 0.00 C ATOM 370 O SER A 23 -4.652 7.461 -14.798 1.00 0.00 O ATOM 371 CB SER A 23 -3.197 9.818 -14.097 1.00 0.00 C ATOM 372 OG SER A 23 -1.951 10.486 -13.949 1.00 0.00 O ATOM 0 H SER A 23 -1.910 7.306 -14.102 1.00 0.00 H new ATOM 0 HA SER A 23 -3.437 8.922 -12.157 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.327 9.511 -15.135 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.011 10.504 -13.863 1.00 0.00 H new ATOM 0 HG SER A 23 -1.924 11.264 -14.545 1.00 0.00 H new ATOM 378 N THR A 24 -5.196 7.228 -12.641 1.00 0.00 N ATOM 379 CA THR A 24 -6.362 6.417 -12.923 1.00 0.00 C ATOM 380 C THR A 24 -7.567 7.311 -13.205 1.00 0.00 C ATOM 381 O THR A 24 -8.048 8.014 -12.316 1.00 0.00 O ATOM 382 CB THR A 24 -6.679 5.480 -11.743 1.00 0.00 C ATOM 383 OG1 THR A 24 -5.483 4.805 -11.324 1.00 0.00 O ATOM 384 CG2 THR A 24 -7.730 4.450 -12.134 1.00 0.00 C ATOM 0 H THR A 24 -5.017 7.382 -11.649 1.00 0.00 H new ATOM 0 HA THR A 24 -6.147 5.809 -13.802 1.00 0.00 H new ATOM 0 HB THR A 24 -7.070 6.083 -10.923 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.656 3.843 -11.260 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.937 3.800 -11.284 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.646 4.960 -12.432 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.361 3.851 -12.967 1.00 0.00 H new ATOM 392 N ASP A 25 -8.044 7.294 -14.442 1.00 0.00 N ATOM 393 CA ASP A 25 -9.196 8.103 -14.822 1.00 0.00 C ATOM 394 C ASP A 25 -10.457 7.331 -14.504 1.00 0.00 C ATOM 395 O ASP A 25 -11.510 7.901 -14.223 1.00 0.00 O ATOM 396 CB ASP A 25 -9.157 8.453 -16.312 1.00 0.00 C ATOM 397 CG ASP A 25 -8.004 9.367 -16.670 1.00 0.00 C ATOM 398 OD1 ASP A 25 -8.163 10.601 -16.573 1.00 0.00 O ATOM 399 OD2 ASP A 25 -6.931 8.861 -17.060 1.00 0.00 O ATOM 0 H ASP A 25 -7.653 6.731 -15.198 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.176 9.037 -14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.081 7.535 -16.894 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.095 8.932 -16.593 1.00 0.00 H new ATOM 404 N SER A 26 -10.312 6.016 -14.526 1.00 0.00 N ATOM 405 CA SER A 26 -11.382 5.099 -14.194 1.00 0.00 C ATOM 406 C SER A 26 -11.484 4.955 -12.674 1.00 0.00 C ATOM 407 O SER A 26 -11.445 3.851 -12.126 1.00 0.00 O ATOM 408 CB SER A 26 -11.088 3.752 -14.858 1.00 0.00 C ATOM 409 OG SER A 26 -12.150 2.833 -14.681 1.00 0.00 O ATOM 0 H SER A 26 -9.438 5.554 -14.778 1.00 0.00 H new ATOM 0 HA SER A 26 -12.338 5.476 -14.559 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.912 3.903 -15.923 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.172 3.333 -14.440 1.00 0.00 H new ATOM 0 HG SER A 26 -11.928 2.212 -13.957 1.00 0.00 H new ATOM 415 N LEU A 27 -11.600 6.086 -11.993 1.00 0.00 N ATOM 416 CA LEU A 27 -11.573 6.118 -10.562 1.00 0.00 C ATOM 417 C LEU A 27 -12.569 7.138 -10.020 1.00 0.00 C ATOM 418 O LEU A 27 -12.274 8.333 -9.938 1.00 0.00 O ATOM 419 CB LEU A 27 -10.173 6.457 -10.118 1.00 0.00 C ATOM 420 CG LEU A 27 -10.019 6.627 -8.633 1.00 0.00 C ATOM 421 CD1 LEU A 27 -10.511 5.391 -7.886 1.00 0.00 C ATOM 422 CD2 LEU A 27 -8.574 6.897 -8.317 1.00 0.00 C ATOM 0 H LEU A 27 -11.715 7.001 -12.430 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.861 5.142 -10.170 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.497 5.670 -10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.861 7.377 -10.612 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.627 7.470 -8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.388 5.541 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.565 5.225 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.932 4.522 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.454 7.022 -7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.965 6.059 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.254 7.807 -8.825 1.00 0.00 H new ATOM 434 N GLY A 28 -13.750 6.658 -9.650 1.00 0.00 N ATOM 435 CA GLY A 28 -14.745 7.519 -9.035 1.00 0.00 C ATOM 436 C GLY A 28 -14.535 7.602 -7.538 1.00 0.00 C ATOM 437 O GLY A 28 -15.365 8.141 -6.803 1.00 0.00 O ATOM 0 H GLY A 28 -14.038 5.686 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.688 8.517 -9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.744 7.136 -9.246 1.00 0.00 H new ATOM 441 N PHE A 29 -13.401 7.051 -7.107 1.00 0.00 N ATOM 442 CA PHE A 29 -12.997 6.994 -5.705 1.00 0.00 C ATOM 443 C PHE A 29 -13.950 6.122 -4.890 1.00 0.00 C ATOM 444 O PHE A 29 -13.687 4.934 -4.689 1.00 0.00 O ATOM 445 CB PHE A 29 -12.879 8.395 -5.085 1.00 0.00 C ATOM 446 CG PHE A 29 -11.936 9.317 -5.809 1.00 0.00 C ATOM 447 CD1 PHE A 29 -12.317 10.615 -6.084 1.00 0.00 C ATOM 448 CD2 PHE A 29 -10.681 8.891 -6.215 1.00 0.00 C ATOM 449 CE1 PHE A 29 -11.471 11.480 -6.746 1.00 0.00 C ATOM 450 CE2 PHE A 29 -9.828 9.752 -6.880 1.00 0.00 C ATOM 451 CZ PHE A 29 -10.222 11.047 -7.145 1.00 0.00 C ATOM 0 H PHE A 29 -12.723 6.623 -7.738 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.007 6.538 -5.677 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -13.868 8.853 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.548 8.295 -4.051 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.293 10.959 -5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.367 7.878 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.784 12.493 -6.952 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.852 9.410 -7.192 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.555 11.720 -7.663 1.00 0.00 H new ATOM 461 N GLN A 30 -15.068 6.696 -4.455 1.00 0.00 N ATOM 462 CA GLN A 30 -15.997 5.991 -3.586 1.00 0.00 C ATOM 463 C GLN A 30 -17.432 6.372 -3.898 1.00 0.00 C ATOM 464 O GLN A 30 -18.107 5.735 -4.705 1.00 0.00 O ATOM 465 CB GLN A 30 -15.694 6.306 -2.125 1.00 0.00 C ATOM 466 CG GLN A 30 -14.402 5.705 -1.636 1.00 0.00 C ATOM 467 CD GLN A 30 -14.108 6.033 -0.189 1.00 0.00 C ATOM 468 OE1 GLN A 30 -15.018 6.184 0.630 1.00 0.00 O ATOM 469 NE2 GLN A 30 -12.834 6.163 0.132 1.00 0.00 N ATOM 0 H GLN A 30 -15.350 7.647 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.874 4.922 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.654 7.388 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -16.513 5.941 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -14.443 4.622 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -13.582 6.064 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.113 6.029 -0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -12.571 6.397 1.089 1.00 0.00 H new ATOM 478 N HIS A 31 -17.899 7.412 -3.237 1.00 0.00 N ATOM 479 CA HIS A 31 -19.225 7.943 -3.492 1.00 0.00 C ATOM 480 C HIS A 31 -19.156 9.450 -3.628 1.00 0.00 C ATOM 481 O HIS A 31 -19.606 10.191 -2.754 1.00 0.00 O ATOM 482 CB HIS A 31 -20.206 7.551 -2.384 1.00 0.00 C ATOM 483 CG HIS A 31 -20.451 6.077 -2.308 1.00 0.00 C ATOM 484 ND1 HIS A 31 -19.832 5.259 -1.390 1.00 0.00 N ATOM 485 CD2 HIS A 31 -21.240 5.268 -3.057 1.00 0.00 C ATOM 486 CE1 HIS A 31 -20.224 4.013 -1.577 1.00 0.00 C ATOM 487 NE2 HIS A 31 -21.078 3.993 -2.581 1.00 0.00 N ATOM 0 H HIS A 31 -17.377 7.909 -2.515 1.00 0.00 H new ATOM 0 HA HIS A 31 -19.592 7.514 -4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -19.820 7.898 -1.426 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -21.154 8.062 -2.550 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -21.877 5.571 -3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.900 3.156 -1.005 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.544 3.162 -2.945 1.00 0.00 H new ATOM 496 N LEU A 32 -18.542 9.891 -4.716 1.00 0.00 N ATOM 497 CA LEU A 32 -18.457 11.305 -5.030 1.00 0.00 C ATOM 498 C LEU A 32 -19.845 11.879 -5.268 1.00 0.00 C ATOM 499 O LEU A 32 -20.414 12.553 -4.407 1.00 0.00 O ATOM 500 CB LEU A 32 -17.591 11.519 -6.273 1.00 0.00 C ATOM 501 CG LEU A 32 -16.093 11.331 -6.083 1.00 0.00 C ATOM 502 CD1 LEU A 32 -15.384 11.491 -7.420 1.00 0.00 C ATOM 503 CD2 LEU A 32 -15.565 12.331 -5.063 1.00 0.00 C ATOM 0 H LEU A 32 -18.093 9.282 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.001 11.819 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.928 10.831 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.766 12.529 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.898 10.327 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.311 11.356 -7.281 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.756 10.744 -8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.576 12.488 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.492 12.188 -4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.756 13.345 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.068 12.177 -4.108 1.00 0.00 H new ATOM 515 N THR A 33 -20.382 11.613 -6.447 1.00 0.00 N ATOM 516 CA THR A 33 -21.719 12.060 -6.802 1.00 0.00 C ATOM 517 C THR A 33 -22.280 11.178 -7.919 1.00 0.00 C ATOM 518 O THR A 33 -21.508 10.527 -8.627 1.00 0.00 O ATOM 519 CB THR A 33 -21.716 13.543 -7.254 1.00 0.00 C ATOM 520 OG1 THR A 33 -20.929 14.334 -6.355 1.00 0.00 O ATOM 521 CG2 THR A 33 -23.127 14.110 -7.298 1.00 0.00 C ATOM 0 H THR A 33 -19.908 11.085 -7.180 1.00 0.00 H new ATOM 0 HA THR A 33 -22.350 11.977 -5.917 1.00 0.00 H new ATOM 0 HB THR A 33 -21.288 13.579 -8.256 1.00 0.00 H new ATOM 0 HG1 THR A 33 -20.951 13.933 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 33 -23.091 15.151 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 33 -23.729 13.534 -8.002 1.00 0.00 H new ATOM 0 HG23 THR A 33 -23.574 14.051 -6.306 1.00 0.00 H new ATOM 529 N ASN A 34 -23.604 11.130 -8.059 1.00 0.00 N ATOM 530 CA ASN A 34 -24.247 10.327 -9.105 1.00 0.00 C ATOM 531 C ASN A 34 -23.642 10.620 -10.477 1.00 0.00 C ATOM 532 O ASN A 34 -23.271 9.703 -11.212 1.00 0.00 O ATOM 533 CB ASN A 34 -25.751 10.604 -9.150 1.00 0.00 C ATOM 534 CG ASN A 34 -26.423 10.412 -7.808 1.00 0.00 C ATOM 535 OD1 ASN A 34 -26.531 11.351 -7.020 1.00 0.00 O ATOM 536 ND2 ASN A 34 -26.874 9.201 -7.533 1.00 0.00 N ATOM 0 H ASN A 34 -24.256 11.638 -7.461 1.00 0.00 H new ATOM 0 HA ASN A 34 -24.077 9.278 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -25.918 11.626 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -26.216 9.943 -9.882 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -27.331 9.018 -6.640 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -26.765 8.449 -8.214 1.00 0.00 H new ATOM 543 N GLU A 35 -23.532 11.907 -10.801 1.00 0.00 N ATOM 544 CA GLU A 35 -22.963 12.351 -12.072 1.00 0.00 C ATOM 545 C GLU A 35 -21.575 11.758 -12.317 1.00 0.00 C ATOM 546 O GLU A 35 -21.249 11.372 -13.439 1.00 0.00 O ATOM 547 CB GLU A 35 -22.909 13.876 -12.106 1.00 0.00 C ATOM 548 CG GLU A 35 -22.191 14.465 -10.914 1.00 0.00 C ATOM 549 CD GLU A 35 -22.306 15.972 -10.842 1.00 0.00 C ATOM 550 OE1 GLU A 35 -21.318 16.664 -11.152 1.00 0.00 O ATOM 551 OE2 GLU A 35 -23.395 16.469 -10.478 1.00 0.00 O ATOM 0 H GLU A 35 -23.833 12.668 -10.193 1.00 0.00 H new ATOM 0 HA GLU A 35 -23.609 11.992 -12.873 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.409 14.197 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.925 14.270 -12.143 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -22.597 14.031 -10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -21.138 14.188 -10.957 1.00 0.00 H new ATOM 558 N GLU A 36 -20.772 11.667 -11.261 1.00 0.00 N ATOM 559 CA GLU A 36 -19.437 11.085 -11.356 1.00 0.00 C ATOM 560 C GLU A 36 -19.530 9.595 -11.656 1.00 0.00 C ATOM 561 O GLU A 36 -18.845 9.079 -12.544 1.00 0.00 O ATOM 562 CB GLU A 36 -18.676 11.299 -10.046 1.00 0.00 C ATOM 563 CG GLU A 36 -18.470 12.760 -9.687 1.00 0.00 C ATOM 564 CD GLU A 36 -17.588 13.482 -10.680 1.00 0.00 C ATOM 565 OE1 GLU A 36 -18.126 14.122 -11.601 1.00 0.00 O ATOM 566 OE2 GLU A 36 -16.348 13.420 -10.537 1.00 0.00 O ATOM 0 H GLU A 36 -21.024 11.990 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 36 -18.901 11.578 -12.167 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -19.219 10.809 -9.238 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.704 10.812 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -19.438 13.258 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -18.025 12.827 -8.694 1.00 0.00 H new ATOM 573 N ARG A 37 -20.405 8.921 -10.918 1.00 0.00 N ATOM 574 CA ARG A 37 -20.605 7.485 -11.058 1.00 0.00 C ATOM 575 C ARG A 37 -21.079 7.135 -12.463 1.00 0.00 C ATOM 576 O ARG A 37 -20.609 6.176 -13.073 1.00 0.00 O ATOM 577 CB ARG A 37 -21.638 6.993 -10.043 1.00 0.00 C ATOM 578 CG ARG A 37 -21.262 7.257 -8.593 1.00 0.00 C ATOM 579 CD ARG A 37 -22.342 6.768 -7.640 1.00 0.00 C ATOM 580 NE ARG A 37 -22.695 5.365 -7.867 1.00 0.00 N ATOM 581 CZ ARG A 37 -23.672 4.732 -7.221 1.00 0.00 C ATOM 582 NH1 ARG A 37 -24.346 5.348 -6.256 1.00 0.00 N ATOM 583 NH2 ARG A 37 -23.963 3.476 -7.529 1.00 0.00 N ATOM 0 H ARG A 37 -20.994 9.355 -10.207 1.00 0.00 H new ATOM 0 HA ARG A 37 -19.648 6.996 -10.875 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -22.594 7.474 -10.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -21.783 5.921 -10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -20.320 6.759 -8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -21.102 8.325 -8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -21.999 6.892 -6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -23.232 7.387 -7.756 1.00 0.00 H new ATOM 0 HE ARG A 37 -22.161 4.842 -8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -24.116 6.310 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -25.094 4.859 -5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -23.439 2.996 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -24.711 2.990 -7.035 1.00 0.00 H new ATOM 597 N ASN A 38 -22.008 7.930 -12.969 1.00 0.00 N ATOM 598 CA ASN A 38 -22.583 7.703 -14.287 1.00 0.00 C ATOM 599 C ASN A 38 -21.593 8.055 -15.390 1.00 0.00 C ATOM 600 O ASN A 38 -21.648 7.494 -16.484 1.00 0.00 O ATOM 601 CB ASN A 38 -23.871 8.521 -14.446 1.00 0.00 C ATOM 602 CG ASN A 38 -24.476 8.414 -15.835 1.00 0.00 C ATOM 603 OD1 ASN A 38 -25.193 7.462 -16.140 1.00 0.00 O ATOM 604 ND2 ASN A 38 -24.219 9.402 -16.679 1.00 0.00 N ATOM 0 H ASN A 38 -22.383 8.745 -12.483 1.00 0.00 H new ATOM 0 HA ASN A 38 -22.819 6.643 -14.376 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -24.602 8.184 -13.711 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.659 9.568 -14.228 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -24.620 9.389 -17.617 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -23.620 10.176 -16.391 1.00 0.00 H new ATOM 611 N ASP A 39 -20.677 8.968 -15.098 1.00 0.00 N ATOM 612 CA ASP A 39 -19.747 9.453 -16.110 1.00 0.00 C ATOM 613 C ASP A 39 -18.708 8.399 -16.469 1.00 0.00 C ATOM 614 O ASP A 39 -18.587 8.015 -17.633 1.00 0.00 O ATOM 615 CB ASP A 39 -19.047 10.731 -15.653 1.00 0.00 C ATOM 616 CG ASP A 39 -18.207 11.338 -16.758 1.00 0.00 C ATOM 617 OD1 ASP A 39 -16.965 11.327 -16.650 1.00 0.00 O ATOM 618 OD2 ASP A 39 -18.789 11.812 -17.755 1.00 0.00 O ATOM 0 H ASP A 39 -20.558 9.386 -14.175 1.00 0.00 H new ATOM 0 HA ASP A 39 -20.337 9.674 -17.000 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -19.792 11.455 -15.323 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.413 10.511 -14.794 1.00 0.00 H new ATOM 623 N MET A 40 -17.963 7.924 -15.478 1.00 0.00 N ATOM 624 CA MET A 40 -16.910 6.945 -15.737 1.00 0.00 C ATOM 625 C MET A 40 -17.144 5.647 -14.974 1.00 0.00 C ATOM 626 O MET A 40 -17.072 4.563 -15.551 1.00 0.00 O ATOM 627 CB MET A 40 -15.548 7.531 -15.356 1.00 0.00 C ATOM 628 CG MET A 40 -14.410 6.521 -15.383 1.00 0.00 C ATOM 629 SD MET A 40 -14.135 5.803 -17.016 1.00 0.00 S ATOM 630 CE MET A 40 -13.545 7.233 -17.916 1.00 0.00 C ATOM 0 H MET A 40 -18.064 8.195 -14.500 1.00 0.00 H new ATOM 0 HA MET A 40 -16.928 6.714 -16.802 1.00 0.00 H new ATOM 0 HB2 MET A 40 -15.312 8.348 -16.038 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.615 7.960 -14.356 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.494 7.007 -15.048 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.625 5.722 -14.673 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.068 6.909 -18.841 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.385 7.887 -18.150 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.823 7.775 -17.305 1.00 0.00 H new ATOM 640 N ILE A 41 -17.459 5.765 -13.692 1.00 0.00 N ATOM 641 CA ILE A 41 -17.693 4.601 -12.848 1.00 0.00 C ATOM 642 C ILE A 41 -17.986 5.054 -11.424 1.00 0.00 C ATOM 643 O ILE A 41 -17.671 6.188 -11.065 1.00 0.00 O ATOM 644 CB ILE A 41 -16.484 3.626 -12.854 1.00 0.00 C ATOM 645 CG1 ILE A 41 -16.876 2.280 -12.236 1.00 0.00 C ATOM 646 CG2 ILE A 41 -15.295 4.232 -12.112 1.00 0.00 C ATOM 647 CD1 ILE A 41 -15.783 1.239 -12.293 1.00 0.00 C ATOM 0 H ILE A 41 -17.559 6.659 -13.211 1.00 0.00 H new ATOM 0 HA ILE A 41 -18.550 4.063 -13.252 1.00 0.00 H new ATOM 0 HB ILE A 41 -16.188 3.457 -13.889 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -17.160 2.438 -11.196 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -17.756 1.897 -12.752 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.460 3.532 -12.129 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.999 5.162 -12.598 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -15.576 4.436 -11.079 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.137 0.315 -11.836 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.514 1.050 -13.332 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.908 1.600 -11.752 1.00 0.00 H new ATOM 659 N SER A 42 -18.601 4.199 -10.625 1.00 0.00 N ATOM 660 CA SER A 42 -18.945 4.564 -9.265 1.00 0.00 C ATOM 661 C SER A 42 -17.705 4.730 -8.384 1.00 0.00 C ATOM 662 O SER A 42 -17.426 5.831 -7.904 1.00 0.00 O ATOM 663 CB SER A 42 -19.902 3.538 -8.658 1.00 0.00 C ATOM 664 OG SER A 42 -21.131 3.510 -9.369 1.00 0.00 O ATOM 0 H SER A 42 -18.870 3.253 -10.894 1.00 0.00 H new ATOM 0 HA SER A 42 -19.446 5.531 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 42 -19.443 2.550 -8.678 1.00 0.00 H new ATOM 0 HB3 SER A 42 -20.088 3.782 -7.612 1.00 0.00 H new ATOM 0 HG SER A 42 -21.592 2.664 -9.192 1.00 0.00 H new ATOM 670 N TYR A 43 -16.950 3.654 -8.189 1.00 0.00 N ATOM 671 CA TYR A 43 -15.843 3.679 -7.241 1.00 0.00 C ATOM 672 C TYR A 43 -14.741 2.696 -7.640 1.00 0.00 C ATOM 673 O TYR A 43 -14.710 2.227 -8.778 1.00 0.00 O ATOM 674 CB TYR A 43 -16.365 3.371 -5.826 1.00 0.00 C ATOM 675 CG TYR A 43 -16.927 1.975 -5.649 1.00 0.00 C ATOM 676 CD1 TYR A 43 -18.196 1.646 -6.110 1.00 0.00 C ATOM 677 CD2 TYR A 43 -16.186 0.988 -5.014 1.00 0.00 C ATOM 678 CE1 TYR A 43 -18.708 0.376 -5.945 1.00 0.00 C ATOM 679 CE2 TYR A 43 -16.690 -0.283 -4.844 1.00 0.00 C ATOM 680 CZ TYR A 43 -17.950 -0.586 -5.313 1.00 0.00 C ATOM 681 OH TYR A 43 -18.451 -1.856 -5.146 1.00 0.00 O ATOM 0 H TYR A 43 -17.082 2.764 -8.669 1.00 0.00 H new ATOM 0 HA TYR A 43 -15.404 4.677 -7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -15.552 3.514 -5.114 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -17.140 4.095 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -18.792 2.398 -6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -15.197 1.220 -4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -19.696 0.137 -6.309 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.100 -1.038 -4.346 1.00 0.00 H new ATOM 0 HH TYR A 43 -17.789 -2.411 -4.683 1.00 0.00 H new ATOM 691 N LYS A 44 -13.837 2.422 -6.695 1.00 0.00 N ATOM 692 CA LYS A 44 -12.734 1.473 -6.874 1.00 0.00 C ATOM 693 C LYS A 44 -13.183 0.195 -7.596 1.00 0.00 C ATOM 694 O LYS A 44 -14.072 -0.522 -7.128 1.00 0.00 O ATOM 695 CB LYS A 44 -12.167 1.097 -5.502 1.00 0.00 C ATOM 696 CG LYS A 44 -11.616 2.268 -4.694 1.00 0.00 C ATOM 697 CD LYS A 44 -10.297 2.779 -5.253 1.00 0.00 C ATOM 698 CE LYS A 44 -9.715 3.885 -4.383 1.00 0.00 C ATOM 699 NZ LYS A 44 -9.341 3.401 -3.023 1.00 0.00 N ATOM 0 H LYS A 44 -13.851 2.858 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.976 1.957 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.951 0.610 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.372 0.364 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.345 3.078 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.475 1.959 -3.658 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.586 1.956 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.450 3.153 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.835 4.303 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.442 4.692 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.784 4.132 -2.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.203 3.201 -2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.775 2.533 -3.107 1.00 0.00 H new ATOM 713 N GLU A 45 -12.542 -0.086 -8.728 1.00 0.00 N ATOM 714 CA GLU A 45 -12.881 -1.249 -9.546 1.00 0.00 C ATOM 715 C GLU A 45 -12.476 -2.550 -8.864 1.00 0.00 C ATOM 716 O GLU A 45 -13.235 -3.517 -8.854 1.00 0.00 O ATOM 717 CB GLU A 45 -12.198 -1.161 -10.909 1.00 0.00 C ATOM 718 CG GLU A 45 -12.646 0.008 -11.745 1.00 0.00 C ATOM 719 CD GLU A 45 -11.988 0.033 -13.105 1.00 0.00 C ATOM 720 OE1 GLU A 45 -12.425 -0.728 -13.995 1.00 0.00 O ATOM 721 OE2 GLU A 45 -11.037 0.818 -13.295 1.00 0.00 O ATOM 0 H GLU A 45 -11.780 0.480 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.963 -1.248 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.120 -1.096 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.389 -2.082 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.728 -0.032 -11.869 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.420 0.935 -11.218 1.00 0.00 H new ATOM 728 N ASN A 46 -11.274 -2.574 -8.308 1.00 0.00 N ATOM 729 CA ASN A 46 -10.760 -3.766 -7.637 1.00 0.00 C ATOM 730 C ASN A 46 -10.833 -3.576 -6.127 1.00 0.00 C ATOM 731 O ASN A 46 -10.349 -4.393 -5.346 1.00 0.00 O ATOM 732 CB ASN A 46 -9.313 -4.032 -8.075 1.00 0.00 C ATOM 733 CG ASN A 46 -8.754 -5.348 -7.562 1.00 0.00 C ATOM 734 OD1 ASN A 46 -9.482 -6.320 -7.367 1.00 0.00 O ATOM 735 ND2 ASN A 46 -7.447 -5.391 -7.352 1.00 0.00 N ATOM 0 H ASN A 46 -10.632 -1.781 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.369 -4.627 -7.914 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.265 -4.026 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.680 -3.217 -7.724 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.012 -6.251 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.875 -4.564 -7.525 1.00 0.00 H new ATOM 742 N GLY A 47 -11.446 -2.477 -5.729 1.00 0.00 N ATOM 743 CA GLY A 47 -11.546 -2.140 -4.325 1.00 0.00 C ATOM 744 C GLY A 47 -10.375 -1.293 -3.873 1.00 0.00 C ATOM 745 O GLY A 47 -10.545 -0.379 -3.065 1.00 0.00 O ATOM 0 H GLY A 47 -11.882 -1.804 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.477 -1.602 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.586 -3.054 -3.732 1.00 0.00 H new ATOM 749 N ASP A 48 -9.199 -1.590 -4.433 1.00 0.00 N ATOM 750 CA ASP A 48 -7.966 -0.832 -4.198 1.00 0.00 C ATOM 751 C ASP A 48 -6.786 -1.652 -4.699 1.00 0.00 C ATOM 752 O ASP A 48 -6.877 -2.880 -4.764 1.00 0.00 O ATOM 753 CB ASP A 48 -7.766 -0.522 -2.714 1.00 0.00 C ATOM 754 CG ASP A 48 -6.840 0.650 -2.495 1.00 0.00 C ATOM 755 OD1 ASP A 48 -7.165 1.765 -2.958 1.00 0.00 O ATOM 756 OD2 ASP A 48 -5.799 0.475 -1.831 1.00 0.00 O ATOM 0 H ASP A 48 -9.075 -2.375 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.039 0.115 -4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.732 -0.310 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.361 -1.401 -2.212 1.00 0.00 H new ATOM 761 N VAL A 49 -5.696 -0.998 -5.073 1.00 0.00 N ATOM 762 CA VAL A 49 -4.522 -1.720 -5.547 1.00 0.00 C ATOM 763 C VAL A 49 -3.420 -1.720 -4.498 1.00 0.00 C ATOM 764 O VAL A 49 -2.780 -0.700 -4.256 1.00 0.00 O ATOM 765 CB VAL A 49 -3.976 -1.153 -6.869 1.00 0.00 C ATOM 766 CG1 VAL A 49 -2.979 -2.115 -7.496 1.00 0.00 C ATOM 767 CG2 VAL A 49 -5.113 -0.846 -7.829 1.00 0.00 C ATOM 0 H VAL A 49 -5.599 0.017 -5.059 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.846 -2.744 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.454 -0.221 -6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.605 -1.694 -8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.146 -2.274 -6.811 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.470 -3.067 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.707 -0.446 -8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.668 -1.760 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.781 -0.111 -7.379 1.00 0.00 H new ATOM 777 N HIS A 50 -3.217 -2.868 -3.868 1.00 0.00 N ATOM 778 CA HIS A 50 -2.150 -3.028 -2.892 1.00 0.00 C ATOM 779 C HIS A 50 -0.812 -3.105 -3.614 1.00 0.00 C ATOM 780 O HIS A 50 -0.472 -4.124 -4.214 1.00 0.00 O ATOM 781 CB HIS A 50 -2.388 -4.284 -2.051 1.00 0.00 C ATOM 782 CG HIS A 50 -1.394 -4.483 -0.947 1.00 0.00 C ATOM 783 ND1 HIS A 50 -1.036 -3.680 0.081 1.00 0.00 N flip ATOM 784 CD2 HIS A 50 -0.657 -5.636 -0.804 1.00 0.00 C flip ATOM 785 CE1 HIS A 50 -0.098 -4.359 0.818 1.00 0.00 C flip ATOM 786 NE2 HIS A 50 0.111 -5.536 0.264 1.00 0.00 N flip ATOM 0 H HIS A 50 -3.780 -3.705 -4.017 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.139 -2.169 -2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.388 -4.234 -1.620 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.366 -5.155 -2.706 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -1.396 -2.745 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.700 -6.490 -1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.390 -3.989 1.708 1.00 0.00 H new ATOM 795 N VAL A 51 -0.074 -2.012 -3.558 1.00 0.00 N ATOM 796 CA VAL A 51 1.145 -1.854 -4.332 1.00 0.00 C ATOM 797 C VAL A 51 2.383 -1.934 -3.445 1.00 0.00 C ATOM 798 O VAL A 51 2.517 -1.177 -2.484 1.00 0.00 O ATOM 799 CB VAL A 51 1.117 -0.498 -5.069 1.00 0.00 C ATOM 800 CG1 VAL A 51 2.440 -0.182 -5.725 1.00 0.00 C ATOM 801 CG2 VAL A 51 0.001 -0.475 -6.098 1.00 0.00 C ATOM 0 H VAL A 51 -0.302 -1.207 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 51 1.197 -2.668 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 51 0.930 0.273 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.374 0.781 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.222 -0.140 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.681 -0.958 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.004 0.488 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.161 -1.270 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.957 -0.627 -5.600 1.00 0.00 H new ATOM 811 N LEU A 52 3.276 -2.862 -3.766 1.00 0.00 N ATOM 812 CA LEU A 52 4.534 -3.003 -3.039 1.00 0.00 C ATOM 813 C LEU A 52 5.675 -2.409 -3.858 1.00 0.00 C ATOM 814 O LEU A 52 6.057 -2.954 -4.896 1.00 0.00 O ATOM 815 CB LEU A 52 4.844 -4.475 -2.721 1.00 0.00 C ATOM 816 CG LEU A 52 3.920 -5.178 -1.714 1.00 0.00 C ATOM 817 CD1 LEU A 52 3.793 -4.369 -0.432 1.00 0.00 C ATOM 818 CD2 LEU A 52 2.551 -5.455 -2.314 1.00 0.00 C ATOM 0 H LEU A 52 3.153 -3.530 -4.527 1.00 0.00 H new ATOM 0 HA LEU A 52 4.434 -2.466 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.818 -5.037 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.865 -4.533 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 52 4.375 -6.137 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.134 -4.889 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.777 -4.249 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.377 -3.388 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.924 -5.953 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.086 -4.514 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.660 -6.097 -3.188 1.00 0.00 H new ATOM 830 N THR A 53 6.207 -1.293 -3.396 1.00 0.00 N ATOM 831 CA THR A 53 7.285 -0.607 -4.094 1.00 0.00 C ATOM 832 C THR A 53 8.470 -0.401 -3.150 1.00 0.00 C ATOM 833 O THR A 53 8.495 -0.960 -2.052 1.00 0.00 O ATOM 834 CB THR A 53 6.800 0.758 -4.635 1.00 0.00 C ATOM 835 OG1 THR A 53 7.795 1.361 -5.478 1.00 0.00 O ATOM 836 CG2 THR A 53 6.463 1.700 -3.489 1.00 0.00 C ATOM 0 H THR A 53 5.909 -0.837 -2.534 1.00 0.00 H new ATOM 0 HA THR A 53 7.600 -1.223 -4.936 1.00 0.00 H new ATOM 0 HB THR A 53 5.902 0.579 -5.226 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.164 2.153 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.124 2.655 -3.891 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.673 1.262 -2.878 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.350 1.859 -2.876 1.00 0.00 H new ATOM 844 N ILE A 54 9.449 0.379 -3.591 1.00 0.00 N ATOM 845 CA ILE A 54 10.606 0.709 -2.780 1.00 0.00 C ATOM 846 C ILE A 54 10.620 2.211 -2.453 1.00 0.00 C ATOM 847 O ILE A 54 10.690 3.062 -3.344 1.00 0.00 O ATOM 848 CB ILE A 54 11.923 0.243 -3.478 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.450 -1.017 -2.793 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.997 1.318 -3.488 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.696 -1.591 -3.434 1.00 0.00 C ATOM 0 H ILE A 54 9.460 0.799 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 54 10.540 0.171 -1.834 1.00 0.00 H new ATOM 0 HB ILE A 54 11.679 0.031 -4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.663 -0.788 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.668 -1.776 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.889 0.937 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.630 2.194 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.244 1.595 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 54 14.007 -2.483 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.484 -1.853 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.495 -0.850 -3.403 1.00 0.00 H new ATOM 863 N CYS A 55 10.468 2.520 -1.165 1.00 0.00 N ATOM 864 CA CYS A 55 10.510 3.899 -0.677 1.00 0.00 C ATOM 865 C CYS A 55 11.925 4.471 -0.750 1.00 0.00 C ATOM 866 O CYS A 55 12.855 3.788 -1.179 1.00 0.00 O ATOM 867 CB CYS A 55 9.996 3.992 0.769 1.00 0.00 C ATOM 868 SG CYS A 55 11.072 3.216 2.007 1.00 0.00 S ATOM 0 H CYS A 55 10.313 1.826 -0.434 1.00 0.00 H new ATOM 0 HA CYS A 55 9.858 4.486 -1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 55 9.867 5.043 1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.011 3.527 0.821 1.00 0.00 H new ATOM 873 N GLU A 56 12.093 5.702 -0.293 1.00 0.00 N ATOM 874 CA GLU A 56 13.380 6.377 -0.375 1.00 0.00 C ATOM 875 C GLU A 56 14.403 5.745 0.570 1.00 0.00 C ATOM 876 O GLU A 56 15.594 5.702 0.262 1.00 0.00 O ATOM 877 CB GLU A 56 13.194 7.858 -0.061 1.00 0.00 C ATOM 878 CG GLU A 56 12.144 8.516 -0.939 1.00 0.00 C ATOM 879 CD GLU A 56 11.886 9.961 -0.573 1.00 0.00 C ATOM 880 OE1 GLU A 56 12.482 10.851 -1.209 1.00 0.00 O ATOM 881 OE2 GLU A 56 11.080 10.212 0.347 1.00 0.00 O ATOM 0 H GLU A 56 11.353 6.255 0.139 1.00 0.00 H new ATOM 0 HA GLU A 56 13.768 6.269 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.909 7.970 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.145 8.375 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.464 8.462 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.212 7.956 -0.863 1.00 0.00 H new ATOM 888 N ASP A 57 13.929 5.239 1.707 1.00 0.00 N ATOM 889 CA ASP A 57 14.809 4.635 2.714 1.00 0.00 C ATOM 890 C ASP A 57 15.638 3.497 2.121 1.00 0.00 C ATOM 891 O ASP A 57 16.865 3.465 2.264 1.00 0.00 O ATOM 892 CB ASP A 57 13.981 4.108 3.892 1.00 0.00 C ATOM 893 CG ASP A 57 14.833 3.460 4.967 1.00 0.00 C ATOM 894 OD1 ASP A 57 15.160 2.262 4.838 1.00 0.00 O ATOM 895 OD2 ASP A 57 15.156 4.140 5.963 1.00 0.00 O ATOM 0 H ASP A 57 12.940 5.234 1.957 1.00 0.00 H new ATOM 0 HA ASP A 57 15.492 5.409 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 57 13.416 4.931 4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.255 3.383 3.524 1.00 0.00 H new ATOM 900 N CYS A 58 14.961 2.576 1.446 1.00 0.00 N ATOM 901 CA CYS A 58 15.617 1.423 0.849 1.00 0.00 C ATOM 902 C CYS A 58 16.366 1.822 -0.423 1.00 0.00 C ATOM 903 O CYS A 58 17.551 1.543 -0.551 1.00 0.00 O ATOM 904 CB CYS A 58 14.595 0.315 0.559 1.00 0.00 C ATOM 905 SG CYS A 58 13.059 0.926 -0.152 1.00 0.00 S ATOM 0 H CYS A 58 13.952 2.607 1.299 1.00 0.00 H new ATOM 0 HA CYS A 58 16.347 1.037 1.560 1.00 0.00 H new ATOM 0 HB2 CYS A 58 15.040 -0.409 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.372 -0.215 1.485 1.00 0.00 H new ATOM 910 N GLN A 59 15.668 2.511 -1.338 1.00 0.00 N ATOM 911 CA GLN A 59 16.221 2.910 -2.643 1.00 0.00 C ATOM 912 C GLN A 59 17.553 3.639 -2.505 1.00 0.00 C ATOM 913 O GLN A 59 18.450 3.475 -3.335 1.00 0.00 O ATOM 914 CB GLN A 59 15.207 3.803 -3.379 1.00 0.00 C ATOM 915 CG GLN A 59 15.651 4.301 -4.750 1.00 0.00 C ATOM 916 CD GLN A 59 16.458 5.584 -4.688 1.00 0.00 C ATOM 917 OE1 GLN A 59 16.256 6.418 -3.804 1.00 0.00 O ATOM 918 NE2 GLN A 59 17.376 5.751 -5.625 1.00 0.00 N ATOM 0 H GLN A 59 14.703 2.808 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 59 16.407 2.002 -3.217 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.277 3.247 -3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.986 4.666 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 59 16.247 3.528 -5.235 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.771 4.463 -5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.512 5.036 -6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.949 6.595 -5.633 1.00 0.00 H new ATOM 927 N GLU A 60 17.683 4.429 -1.458 1.00 0.00 N ATOM 928 CA GLU A 60 18.872 5.226 -1.264 1.00 0.00 C ATOM 929 C GLU A 60 20.064 4.344 -0.980 1.00 0.00 C ATOM 930 O GLU A 60 21.063 4.376 -1.698 1.00 0.00 O ATOM 931 CB GLU A 60 18.651 6.166 -0.099 1.00 0.00 C ATOM 932 CG GLU A 60 19.542 7.379 -0.105 1.00 0.00 C ATOM 933 CD GLU A 60 19.460 8.174 -1.393 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.378 8.047 -2.230 1.00 0.00 O ATOM 935 OE2 GLU A 60 18.485 8.934 -1.572 1.00 0.00 O ATOM 0 H GLU A 60 16.977 4.534 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 60 19.070 5.794 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.611 6.493 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.809 5.618 0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.272 8.025 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 60 20.573 7.065 0.056 1.00 0.00 H new ATOM 942 N ALA A 61 19.930 3.527 0.053 1.00 0.00 N ATOM 943 CA ALA A 61 20.979 2.609 0.434 1.00 0.00 C ATOM 944 C ALA A 61 21.190 1.643 -0.698 1.00 0.00 C ATOM 945 O ALA A 61 22.301 1.200 -0.966 1.00 0.00 O ATOM 946 CB ALA A 61 20.605 1.872 1.709 1.00 0.00 C ATOM 0 H ALA A 61 19.098 3.485 0.642 1.00 0.00 H new ATOM 0 HA ALA A 61 21.901 3.155 0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 61 21.407 1.185 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 61 20.455 2.591 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 61 19.685 1.310 1.548 1.00 0.00 H new ATOM 952 N LEU A 62 20.091 1.377 -1.382 1.00 0.00 N ATOM 953 CA LEU A 62 20.053 0.437 -2.472 1.00 0.00 C ATOM 954 C LEU A 62 21.024 0.826 -3.576 1.00 0.00 C ATOM 955 O LEU A 62 21.917 0.060 -3.942 1.00 0.00 O ATOM 956 CB LEU A 62 18.642 0.406 -3.041 1.00 0.00 C ATOM 957 CG LEU A 62 18.087 -0.985 -3.240 1.00 0.00 C ATOM 958 CD1 LEU A 62 17.251 -1.412 -2.044 1.00 0.00 C ATOM 959 CD2 LEU A 62 17.288 -1.084 -4.526 1.00 0.00 C ATOM 0 H LEU A 62 19.192 1.817 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 62 20.343 -0.543 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.980 0.957 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.636 0.928 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 62 18.931 -1.669 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.863 -2.417 -2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 62 17.870 -1.407 -1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.420 -0.719 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.903 -2.098 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.455 -0.381 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.931 -0.844 -5.373 1.00 0.00 H new ATOM 971 N ASP A 63 20.827 2.017 -4.106 1.00 0.00 N ATOM 972 CA ASP A 63 21.632 2.510 -5.215 1.00 0.00 C ATOM 973 C ASP A 63 23.044 2.889 -4.767 1.00 0.00 C ATOM 974 O ASP A 63 23.991 2.815 -5.551 1.00 0.00 O ATOM 975 CB ASP A 63 20.943 3.713 -5.866 1.00 0.00 C ATOM 976 CG ASP A 63 21.685 4.228 -7.081 1.00 0.00 C ATOM 977 OD1 ASP A 63 21.494 3.664 -8.181 1.00 0.00 O ATOM 978 OD2 ASP A 63 22.452 5.205 -6.951 1.00 0.00 O ATOM 0 H ASP A 63 20.111 2.669 -3.786 1.00 0.00 H new ATOM 0 HA ASP A 63 21.724 1.705 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 63 19.930 3.433 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.854 4.515 -5.133 1.00 0.00 H new ATOM 983 N ARG A 64 23.188 3.293 -3.509 1.00 0.00 N ATOM 984 CA ARG A 64 24.486 3.722 -2.997 1.00 0.00 C ATOM 985 C ARG A 64 25.420 2.536 -2.760 1.00 0.00 C ATOM 986 O ARG A 64 26.587 2.576 -3.154 1.00 0.00 O ATOM 987 CB ARG A 64 24.335 4.534 -1.706 1.00 0.00 C ATOM 988 CG ARG A 64 23.666 5.886 -1.908 1.00 0.00 C ATOM 989 CD ARG A 64 23.539 6.655 -0.600 1.00 0.00 C ATOM 990 NE ARG A 64 24.843 7.012 -0.040 1.00 0.00 N ATOM 991 CZ ARG A 64 25.035 7.389 1.227 1.00 0.00 C ATOM 992 NH1 ARG A 64 24.008 7.459 2.070 1.00 0.00 N ATOM 993 NH2 ARG A 64 26.253 7.709 1.647 1.00 0.00 N ATOM 0 H ARG A 64 22.429 3.333 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 64 24.931 4.360 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.754 3.955 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.321 4.688 -1.267 1.00 0.00 H new ATOM 0 HG2 ARG A 64 24.244 6.474 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.677 5.741 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.957 7.561 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.988 6.052 0.122 1.00 0.00 H new ATOM 0 HE ARG A 64 25.656 6.970 -0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.068 7.224 1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.160 7.747 3.036 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.042 7.667 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.400 7.997 2.614 1.00 0.00 H new ATOM 1007 N ASN A 65 24.913 1.481 -2.131 1.00 0.00 N ATOM 1008 CA ASN A 65 25.753 0.349 -1.743 1.00 0.00 C ATOM 1009 C ASN A 65 24.958 -0.956 -1.704 1.00 0.00 C ATOM 1010 O ASN A 65 23.729 -0.947 -1.651 1.00 0.00 O ATOM 1011 CB ASN A 65 26.376 0.609 -0.364 1.00 0.00 C ATOM 1012 CG ASN A 65 25.340 0.889 0.712 1.00 0.00 C ATOM 1013 OD1 ASN A 65 24.974 2.042 0.949 1.00 0.00 O ATOM 1014 ND2 ASN A 65 24.866 -0.153 1.379 1.00 0.00 N ATOM 0 H ASN A 65 23.929 1.384 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 65 26.538 0.247 -2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 65 26.971 -0.256 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 65 27.058 1.456 -0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 65 24.175 -0.015 2.116 1.00 0.00 H new ATOM 0 HD22 ASN A 65 25.192 -1.093 1.155 1.00 0.00 H new ATOM 1021 N PRO A 66 25.651 -2.106 -1.759 1.00 0.00 N ATOM 1022 CA PRO A 66 25.031 -3.410 -1.534 1.00 0.00 C ATOM 1023 C PRO A 66 24.732 -3.626 -0.051 1.00 0.00 C ATOM 1024 O PRO A 66 25.228 -2.878 0.795 1.00 0.00 O ATOM 1025 CB PRO A 66 26.086 -4.417 -2.020 1.00 0.00 C ATOM 1026 CG PRO A 66 27.146 -3.604 -2.691 1.00 0.00 C ATOM 1027 CD PRO A 66 27.077 -2.238 -2.076 1.00 0.00 C ATOM 0 HA PRO A 66 24.079 -3.510 -2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 66 26.498 -4.985 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 66 25.649 -5.138 -2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 66 28.130 -4.049 -2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 66 26.977 -3.556 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 66 27.700 -2.162 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 66 27.413 -1.464 -2.766 1.00 0.00 H new ATOM 1035 N HIS A 67 23.933 -4.647 0.256 1.00 0.00 N ATOM 1036 CA HIS A 67 23.531 -4.941 1.637 1.00 0.00 C ATOM 1037 C HIS A 67 22.736 -3.777 2.222 1.00 0.00 C ATOM 1038 O HIS A 67 23.074 -3.250 3.282 1.00 0.00 O ATOM 1039 CB HIS A 67 24.745 -5.236 2.532 1.00 0.00 C ATOM 1040 CG HIS A 67 25.469 -6.505 2.198 1.00 0.00 C ATOM 1041 ND1 HIS A 67 25.154 -7.719 2.761 1.00 0.00 N ATOM 1042 CD2 HIS A 67 26.516 -6.738 1.373 1.00 0.00 C ATOM 1043 CE1 HIS A 67 25.973 -8.643 2.301 1.00 0.00 C ATOM 1044 NE2 HIS A 67 26.812 -8.077 1.455 1.00 0.00 N ATOM 0 H HIS A 67 23.548 -5.290 -0.436 1.00 0.00 H new ATOM 0 HA HIS A 67 22.904 -5.832 1.608 1.00 0.00 H new ATOM 0 HB2 HIS A 67 25.445 -4.403 2.460 1.00 0.00 H new ATOM 0 HB3 HIS A 67 24.413 -5.284 3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 67 27.025 -6.006 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 67 25.960 -9.689 2.571 1.00 0.00 H new ATOM 0 HE2 HIS A 67 27.556 -8.554 0.946 1.00 0.00 H new ATOM 1053 N TYR A 68 21.684 -3.382 1.517 1.00 0.00 N ATOM 1054 CA TYR A 68 20.852 -2.260 1.940 1.00 0.00 C ATOM 1055 C TYR A 68 20.186 -2.533 3.286 1.00 0.00 C ATOM 1056 O TYR A 68 19.683 -3.634 3.531 1.00 0.00 O ATOM 1057 CB TYR A 68 19.794 -1.939 0.874 1.00 0.00 C ATOM 1058 CG TYR A 68 18.943 -3.121 0.451 1.00 0.00 C ATOM 1059 CD1 TYR A 68 17.753 -3.422 1.103 1.00 0.00 C ATOM 1060 CD2 TYR A 68 19.323 -3.925 -0.616 1.00 0.00 C ATOM 1061 CE1 TYR A 68 16.973 -4.493 0.707 1.00 0.00 C ATOM 1062 CE2 TYR A 68 18.550 -4.996 -1.017 1.00 0.00 C ATOM 1063 CZ TYR A 68 17.377 -5.275 -0.354 1.00 0.00 C ATOM 1064 OH TYR A 68 16.600 -6.338 -0.757 1.00 0.00 O ATOM 0 H TYR A 68 21.385 -3.823 0.647 1.00 0.00 H new ATOM 0 HA TYR A 68 21.503 -1.394 2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 68 19.140 -1.155 1.255 1.00 0.00 H new ATOM 0 HB3 TYR A 68 20.295 -1.536 -0.006 1.00 0.00 H new ATOM 0 HD1 TYR A 68 17.432 -2.809 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.241 -3.708 -1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 68 16.052 -4.716 1.226 1.00 0.00 H new ATOM 0 HE2 TYR A 68 18.864 -5.612 -1.847 1.00 0.00 H new ATOM 0 HH TYR A 68 17.026 -6.785 -1.518 1.00 0.00 H new ATOM 1074 N HIS A 69 20.229 -1.526 4.157 1.00 0.00 N ATOM 1075 CA HIS A 69 19.618 -1.570 5.490 1.00 0.00 C ATOM 1076 C HIS A 69 20.430 -2.441 6.449 1.00 0.00 C ATOM 1077 O HIS A 69 20.569 -2.107 7.626 1.00 0.00 O ATOM 1078 CB HIS A 69 18.159 -2.043 5.440 1.00 0.00 C ATOM 1079 CG HIS A 69 17.407 -1.771 6.709 1.00 0.00 C ATOM 1080 ND1 HIS A 69 16.870 -2.762 7.503 1.00 0.00 N ATOM 1081 CD2 HIS A 69 17.110 -0.603 7.323 1.00 0.00 C ATOM 1082 CE1 HIS A 69 16.278 -2.214 8.547 1.00 0.00 C ATOM 1083 NE2 HIS A 69 16.410 -0.907 8.461 1.00 0.00 N ATOM 0 H HIS A 69 20.696 -0.642 3.956 1.00 0.00 H new ATOM 0 HA HIS A 69 19.622 -0.548 5.869 1.00 0.00 H new ATOM 0 HB2 HIS A 69 17.652 -1.549 4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 69 18.137 -3.113 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.375 0.386 6.980 1.00 0.00 H new ATOM 0 HE1 HIS A 69 15.771 -2.747 9.338 1.00 0.00 H new ATOM 0 HE2 HIS A 69 16.049 -0.230 9.133 1.00 0.00 H new ATOM 1092 N GLU A 70 20.974 -3.544 5.947 1.00 0.00 N ATOM 1093 CA GLU A 70 21.829 -4.414 6.748 1.00 0.00 C ATOM 1094 C GLU A 70 23.246 -3.858 6.804 1.00 0.00 C ATOM 1095 O GLU A 70 24.223 -4.565 6.543 1.00 0.00 O ATOM 1096 CB GLU A 70 21.851 -5.834 6.177 1.00 0.00 C ATOM 1097 CG GLU A 70 20.531 -6.568 6.308 1.00 0.00 C ATOM 1098 CD GLU A 70 20.633 -8.019 5.893 1.00 0.00 C ATOM 1099 OE1 GLU A 70 20.239 -8.345 4.756 1.00 0.00 O ATOM 1100 OE2 GLU A 70 21.110 -8.843 6.699 1.00 0.00 O ATOM 0 H GLU A 70 20.838 -3.858 4.986 1.00 0.00 H new ATOM 0 HA GLU A 70 21.420 -4.452 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 70 22.127 -5.787 5.124 1.00 0.00 H new ATOM 0 HB3 GLU A 70 22.627 -6.407 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 70 20.188 -6.512 7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 70 19.779 -6.070 5.696 1.00 0.00 H new ATOM 1107 N TYR A 71 23.348 -2.586 7.147 1.00 0.00 N ATOM 1108 CA TYR A 71 24.626 -1.909 7.209 1.00 0.00 C ATOM 1109 C TYR A 71 24.714 -1.113 8.502 1.00 0.00 C ATOM 1110 O TYR A 71 23.787 -0.381 8.851 1.00 0.00 O ATOM 1111 CB TYR A 71 24.782 -0.974 6.009 1.00 0.00 C ATOM 1112 CG TYR A 71 26.172 -0.972 5.416 1.00 0.00 C ATOM 1113 CD1 TYR A 71 26.376 -1.342 4.094 1.00 0.00 C ATOM 1114 CD2 TYR A 71 27.278 -0.609 6.173 1.00 0.00 C ATOM 1115 CE1 TYR A 71 27.641 -1.354 3.544 1.00 0.00 C ATOM 1116 CE2 TYR A 71 28.547 -0.616 5.629 1.00 0.00 C ATOM 1117 CZ TYR A 71 28.723 -0.989 4.314 1.00 0.00 C ATOM 1118 OH TYR A 71 29.986 -1.005 3.769 1.00 0.00 O ATOM 0 H TYR A 71 22.550 -1.998 7.389 1.00 0.00 H new ATOM 0 HA TYR A 71 25.427 -2.648 7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 71 24.068 -1.265 5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 71 24.526 0.040 6.314 1.00 0.00 H new ATOM 0 HD1 TYR A 71 25.530 -1.625 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 71 27.143 -0.316 7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 71 27.782 -1.648 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 71 29.397 -0.331 6.231 1.00 0.00 H new ATOM 0 HH TYR A 71 30.637 -0.720 4.444 1.00 0.00 H new ATOM 1128 N HIS A 72 25.836 -1.269 9.204 1.00 0.00 N ATOM 1129 CA HIS A 72 26.057 -0.619 10.498 1.00 0.00 C ATOM 1130 C HIS A 72 25.925 0.898 10.401 1.00 0.00 C ATOM 1131 O HIS A 72 25.657 1.570 11.397 1.00 0.00 O ATOM 1132 CB HIS A 72 27.432 -1.001 11.075 1.00 0.00 C ATOM 1133 CG HIS A 72 28.609 -0.652 10.206 1.00 0.00 C ATOM 1134 ND1 HIS A 72 29.262 -1.575 9.416 1.00 0.00 N ATOM 1135 CD2 HIS A 72 29.267 0.519 10.025 1.00 0.00 C ATOM 1136 CE1 HIS A 72 30.264 -0.988 8.791 1.00 0.00 C ATOM 1137 NE2 HIS A 72 30.289 0.282 9.142 1.00 0.00 N ATOM 0 H HIS A 72 26.616 -1.848 8.894 1.00 0.00 H new ATOM 0 HA HIS A 72 25.281 -0.977 11.175 1.00 0.00 H new ATOM 0 HB2 HIS A 72 27.554 -0.508 12.039 1.00 0.00 H new ATOM 0 HB3 HIS A 72 27.444 -2.075 11.262 1.00 0.00 H new ATOM 0 HD2 HIS A 72 29.030 1.464 10.490 1.00 0.00 H new ATOM 0 HE1 HIS A 72 30.949 -1.467 8.107 1.00 0.00 H new ATOM 0 HE2 HIS A 72 30.959 0.976 8.811 1.00 0.00 H new ATOM 1146 N THR A 73 26.134 1.433 9.209 1.00 0.00 N ATOM 1147 CA THR A 73 25.979 2.854 8.961 1.00 0.00 C ATOM 1148 C THR A 73 25.680 3.082 7.486 1.00 0.00 C ATOM 1149 O THR A 73 24.515 3.374 7.148 1.00 0.00 O ATOM 1150 CB THR A 73 27.241 3.648 9.363 1.00 0.00 C ATOM 1151 OG1 THR A 73 27.617 3.327 10.712 1.00 0.00 O ATOM 1152 CG2 THR A 73 26.994 5.146 9.247 1.00 0.00 C ATOM 1153 OXT THR A 73 26.604 2.919 6.664 1.00 0.00 O ATOM 0 H THR A 73 26.415 0.895 8.389 1.00 0.00 H new ATOM 0 HA THR A 73 25.151 3.213 9.573 1.00 0.00 H new ATOM 0 HB THR A 73 28.048 3.371 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 73 28.419 3.834 10.958 1.00 0.00 H new ATOM 0 HG21 THR A 73 27.896 5.687 9.535 1.00 0.00 H new ATOM 0 HG22 THR A 73 26.736 5.393 8.217 1.00 0.00 H new ATOM 0 HG23 THR A 73 26.174 5.432 9.906 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.402 1.026 1.432 1.00 0.00 ZN