USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 607 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 83 SER OG : rot -131:sc= 0.581 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.033 USER MOD Set 2.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.0232 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 72:sc= 0.0312 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.0312 USER MOD Single : A 19 THR OG1 : rot -80:sc= 1.13 USER MOD Single : A 25 SER OG : rot 170:sc= 0.0783 USER MOD Single : A 27 GLN : amide:sc= -0.0862 K(o=-0.086,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.52) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 50 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc=-0.00167 (180deg=-0.00167) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.621 K(o=-0.62,f=-3.2!) USER MOD Single : A 66 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.9) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= -0.0219 (180deg=-0.148) USER MOD Single : A 77 ASN : amide:sc= -0.649 K(o=-0.65,f=-1.6!) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.515 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0535 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.611 USER MOD Single : A 87 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.946 0.565 0.044 1.00 0.00 N ATOM 2 CA ALA A 1 2.108 0.268 -0.785 1.00 0.00 C ATOM 3 C ALA A 1 2.916 1.529 -1.069 1.00 0.00 C ATOM 4 O ALA A 1 2.357 2.616 -1.215 1.00 0.00 O ATOM 5 CB ALA A 1 1.672 -0.387 -2.088 1.00 0.00 C ATOM 0 H1 ALA A 1 0.154 -0.047 -0.237 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.179 0.393 1.043 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.675 1.561 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 1 2.747 -0.425 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.549 -0.604 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.144 -1.315 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.010 0.288 -2.631 1.00 0.00 H new ATOM 11 N ILE A 2 4.234 1.377 -1.147 1.00 0.00 N ATOM 12 CA ILE A 2 5.118 2.504 -1.414 1.00 0.00 C ATOM 13 C ILE A 2 5.054 2.917 -2.880 1.00 0.00 C ATOM 14 O ILE A 2 5.446 2.159 -3.767 1.00 0.00 O ATOM 15 CB ILE A 2 6.578 2.173 -1.049 1.00 0.00 C ATOM 16 CG1 ILE A 2 6.694 1.860 0.444 1.00 0.00 C ATOM 17 CG2 ILE A 2 7.493 3.328 -1.426 1.00 0.00 C ATOM 18 CD1 ILE A 2 6.413 0.412 0.781 1.00 0.00 C ATOM 0 H ILE A 2 4.713 0.484 -1.029 1.00 0.00 H new ATOM 0 HA ILE A 2 4.774 3.330 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 2 6.887 1.292 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.698 2.116 0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.000 2.494 0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.521 3.079 -1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.428 3.509 -2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.187 4.225 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.513 0.263 1.856 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.399 0.157 0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.124 -0.228 0.258 1.00 0.00 H new ATOM 30 N SER A 3 4.559 4.126 -3.127 1.00 0.00 N ATOM 31 CA SER A 3 4.442 4.641 -4.487 1.00 0.00 C ATOM 32 C SER A 3 5.652 5.495 -4.850 1.00 0.00 C ATOM 33 O SER A 3 6.528 5.065 -5.601 1.00 0.00 O ATOM 34 CB SER A 3 3.160 5.462 -4.634 1.00 0.00 C ATOM 35 OG SER A 3 3.148 6.174 -5.860 1.00 0.00 O ATOM 0 H SER A 3 4.233 4.767 -2.404 1.00 0.00 H new ATOM 0 HA SER A 3 4.401 3.792 -5.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.294 4.802 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.075 6.162 -3.803 1.00 0.00 H new ATOM 0 HG SER A 3 2.318 6.690 -5.931 1.00 0.00 H new ATOM 41 N CYS A 4 5.694 6.710 -4.313 1.00 0.00 N ATOM 42 CA CYS A 4 6.795 7.627 -4.580 1.00 0.00 C ATOM 43 C CYS A 4 6.646 8.907 -3.762 1.00 0.00 C ATOM 44 O CYS A 4 7.611 9.397 -3.176 1.00 0.00 O ATOM 45 CB CYS A 4 6.855 7.965 -6.070 1.00 0.00 C ATOM 46 SG CYS A 4 8.544 8.042 -6.748 1.00 0.00 S ATOM 0 H CYS A 4 4.977 7.082 -3.690 1.00 0.00 H new ATOM 0 HA CYS A 4 7.723 7.136 -4.289 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.286 7.218 -6.624 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.365 8.925 -6.234 1.00 0.00 H new ATOM 51 N GLY A 5 5.430 9.443 -3.728 1.00 0.00 N ATOM 52 CA GLY A 5 5.177 10.661 -2.980 1.00 0.00 C ATOM 53 C GLY A 5 5.600 10.548 -1.529 1.00 0.00 C ATOM 54 O GLY A 5 6.228 11.457 -0.986 1.00 0.00 O ATOM 0 H GLY A 5 4.616 9.056 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 5 5.711 11.488 -3.448 1.00 0.00 H new ATOM 0 HA3 GLY A 5 4.114 10.899 -3.028 1.00 0.00 H new ATOM 58 N ALA A 6 5.254 9.431 -0.898 1.00 0.00 N ATOM 59 CA ALA A 6 5.602 9.203 0.499 1.00 0.00 C ATOM 60 C ALA A 6 7.113 9.105 0.679 1.00 0.00 C ATOM 61 O ALA A 6 7.642 9.410 1.748 1.00 0.00 O ATOM 62 CB ALA A 6 4.924 7.941 1.013 1.00 0.00 C ATOM 0 H ALA A 6 4.733 8.669 -1.332 1.00 0.00 H new ATOM 0 HA ALA A 6 5.248 10.055 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.193 7.783 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.843 8.049 0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.250 7.086 0.421 1.00 0.00 H new ATOM 68 N VAL A 7 7.804 8.677 -0.373 1.00 0.00 N ATOM 69 CA VAL A 7 9.254 8.539 -0.330 1.00 0.00 C ATOM 70 C VAL A 7 9.938 9.900 -0.400 1.00 0.00 C ATOM 71 O VAL A 7 10.893 10.167 0.330 1.00 0.00 O ATOM 72 CB VAL A 7 9.769 7.659 -1.485 1.00 0.00 C ATOM 73 CG1 VAL A 7 11.271 7.450 -1.369 1.00 0.00 C ATOM 74 CG2 VAL A 7 9.036 6.326 -1.505 1.00 0.00 C ATOM 0 H VAL A 7 7.382 8.420 -1.265 1.00 0.00 H new ATOM 0 HA VAL A 7 9.498 8.061 0.619 1.00 0.00 H new ATOM 0 HB VAL A 7 9.570 8.171 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.616 6.826 -2.193 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.777 8.415 -1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.498 6.959 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.412 5.716 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.202 5.805 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.969 6.500 -1.641 1.00 0.00 H new ATOM 84 N THR A 8 9.442 10.761 -1.284 1.00 0.00 N ATOM 85 CA THR A 8 10.005 12.095 -1.450 1.00 0.00 C ATOM 86 C THR A 8 9.776 12.947 -0.207 1.00 0.00 C ATOM 87 O THR A 8 10.486 13.926 0.026 1.00 0.00 O ATOM 88 CB THR A 8 9.397 12.813 -2.670 1.00 0.00 C ATOM 89 OG1 THR A 8 9.501 11.981 -3.830 1.00 0.00 O ATOM 90 CG2 THR A 8 10.101 14.138 -2.924 1.00 0.00 C ATOM 0 H THR A 8 8.652 10.558 -1.896 1.00 0.00 H new ATOM 0 HA THR A 8 11.076 11.969 -1.608 1.00 0.00 H new ATOM 0 HB THR A 8 8.346 13.013 -2.460 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.872 11.234 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 8 9.655 14.627 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.994 14.780 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.159 13.957 -3.114 1.00 0.00 H new ATOM 98 N SER A 9 8.781 12.569 0.589 1.00 0.00 N ATOM 99 CA SER A 9 8.457 13.301 1.808 1.00 0.00 C ATOM 100 C SER A 9 9.628 13.273 2.786 1.00 0.00 C ATOM 101 O SER A 9 10.065 14.314 3.278 1.00 0.00 O ATOM 102 CB SER A 9 7.212 12.707 2.469 1.00 0.00 C ATOM 103 OG SER A 9 6.488 13.699 3.176 1.00 0.00 O ATOM 0 H SER A 9 8.185 11.760 0.412 1.00 0.00 H new ATOM 0 HA SER A 9 8.257 14.338 1.537 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.572 12.258 1.709 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.504 11.909 3.152 1.00 0.00 H new ATOM 0 HG SER A 9 5.696 13.295 3.588 1.00 0.00 H new ATOM 109 N ASP A 10 10.131 12.075 3.063 1.00 0.00 N ATOM 110 CA ASP A 10 11.252 11.910 3.981 1.00 0.00 C ATOM 111 C ASP A 10 12.561 12.336 3.323 1.00 0.00 C ATOM 112 O ASP A 10 13.546 12.625 4.004 1.00 0.00 O ATOM 113 CB ASP A 10 11.350 10.456 4.444 1.00 0.00 C ATOM 114 CG ASP A 10 9.989 9.809 4.613 1.00 0.00 C ATOM 115 OD1 ASP A 10 9.085 10.466 5.172 1.00 0.00 O ATOM 116 OD2 ASP A 10 9.827 8.647 4.185 1.00 0.00 O ATOM 0 H ASP A 10 9.780 11.204 2.665 1.00 0.00 H new ATOM 0 HA ASP A 10 11.077 12.548 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.933 9.886 3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.889 10.415 5.391 1.00 0.00 H new ATOM 121 N LEU A 11 12.565 12.373 1.995 1.00 0.00 N ATOM 122 CA LEU A 11 13.753 12.764 1.244 1.00 0.00 C ATOM 123 C LEU A 11 14.037 14.253 1.410 1.00 0.00 C ATOM 124 O LEU A 11 15.193 14.674 1.455 1.00 0.00 O ATOM 125 CB LEU A 11 13.577 12.428 -0.238 1.00 0.00 C ATOM 126 CG LEU A 11 13.778 10.962 -0.622 1.00 0.00 C ATOM 127 CD1 LEU A 11 13.289 10.710 -2.041 1.00 0.00 C ATOM 128 CD2 LEU A 11 15.241 10.569 -0.483 1.00 0.00 C ATOM 0 H LEU A 11 11.759 12.137 1.416 1.00 0.00 H new ATOM 0 HA LEU A 11 14.602 12.206 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.574 12.728 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.278 13.033 -0.813 1.00 0.00 H new ATOM 0 HG LEU A 11 13.191 10.345 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.440 9.661 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.228 10.951 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.848 11.337 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 11 15.365 9.522 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.849 11.192 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.559 10.710 0.550 1.00 0.00 H new ATOM 140 N SER A 12 12.974 15.046 1.502 1.00 0.00 N ATOM 141 CA SER A 12 13.109 16.490 1.661 1.00 0.00 C ATOM 142 C SER A 12 13.993 16.824 2.859 1.00 0.00 C ATOM 143 O SER A 12 15.014 17.502 2.739 1.00 0.00 O ATOM 144 CB SER A 12 11.733 17.136 1.833 1.00 0.00 C ATOM 145 OG SER A 12 11.813 18.301 2.636 1.00 0.00 O ATOM 0 H SER A 12 12.010 14.713 1.469 1.00 0.00 H new ATOM 0 HA SER A 12 13.580 16.887 0.762 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.323 17.392 0.856 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.047 16.422 2.290 1.00 0.00 H new ATOM 0 HG SER A 12 10.921 18.696 2.729 1.00 0.00 H new ATOM 151 N PRO A 13 13.593 16.336 4.042 1.00 0.00 N ATOM 152 CA PRO A 13 14.334 16.569 5.286 1.00 0.00 C ATOM 153 C PRO A 13 15.664 15.823 5.317 1.00 0.00 C ATOM 154 O PRO A 13 16.590 16.212 6.029 1.00 0.00 O ATOM 155 CB PRO A 13 13.393 16.031 6.366 1.00 0.00 C ATOM 156 CG PRO A 13 12.553 15.019 5.666 1.00 0.00 C ATOM 157 CD PRO A 13 12.387 15.520 4.259 1.00 0.00 C ATOM 0 HA PRO A 13 14.595 17.620 5.414 1.00 0.00 H new ATOM 0 HB2 PRO A 13 13.950 15.583 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.782 16.827 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.031 14.040 5.678 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.586 14.907 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.324 14.699 3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 13 11.477 16.110 4.147 1.00 0.00 H new ATOM 165 N CYS A 14 15.752 14.748 4.540 1.00 0.00 N ATOM 166 CA CYS A 14 16.968 13.946 4.478 1.00 0.00 C ATOM 167 C CYS A 14 17.969 14.551 3.499 1.00 0.00 C ATOM 168 O CYS A 14 19.151 14.206 3.509 1.00 0.00 O ATOM 169 CB CYS A 14 16.636 12.511 4.064 1.00 0.00 C ATOM 170 SG CYS A 14 15.967 11.484 5.411 1.00 0.00 S ATOM 0 H CYS A 14 14.995 14.412 3.944 1.00 0.00 H new ATOM 0 HA CYS A 14 17.418 13.936 5.471 1.00 0.00 H new ATOM 0 HB2 CYS A 14 15.913 12.538 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.538 12.039 3.675 1.00 0.00 H new ATOM 175 N LEU A 15 17.489 15.457 2.654 1.00 0.00 N ATOM 176 CA LEU A 15 18.341 16.111 1.667 1.00 0.00 C ATOM 177 C LEU A 15 19.395 16.978 2.349 1.00 0.00 C ATOM 178 O LEU A 15 20.578 16.917 2.011 1.00 0.00 O ATOM 179 CB LEU A 15 17.496 16.965 0.721 1.00 0.00 C ATOM 180 CG LEU A 15 17.004 16.272 -0.550 1.00 0.00 C ATOM 181 CD1 LEU A 15 16.199 17.236 -1.407 1.00 0.00 C ATOM 182 CD2 LEU A 15 18.177 15.707 -1.338 1.00 0.00 C ATOM 0 H LEU A 15 16.514 15.755 2.633 1.00 0.00 H new ATOM 0 HA LEU A 15 18.849 15.338 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 15 16.629 17.330 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 15 18.081 17.838 0.432 1.00 0.00 H new ATOM 0 HG LEU A 15 16.354 15.446 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.857 16.725 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.337 17.592 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 15 16.825 18.084 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.808 15.217 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.853 16.516 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.712 14.982 -0.725 1.00 0.00 H new ATOM 194 N THR A 16 18.959 17.785 3.311 1.00 0.00 N ATOM 195 CA THR A 16 19.864 18.663 4.041 1.00 0.00 C ATOM 196 C THR A 16 21.071 17.895 4.567 1.00 0.00 C ATOM 197 O THR A 16 22.194 18.401 4.558 1.00 0.00 O ATOM 198 CB THR A 16 19.152 19.348 5.223 1.00 0.00 C ATOM 199 OG1 THR A 16 17.841 19.768 4.828 1.00 0.00 O ATOM 200 CG2 THR A 16 19.948 20.548 5.713 1.00 0.00 C ATOM 0 H THR A 16 17.984 17.848 3.603 1.00 0.00 H new ATOM 0 HA THR A 16 20.199 19.425 3.337 1.00 0.00 H new ATOM 0 HB THR A 16 19.073 18.628 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.394 20.201 5.585 1.00 0.00 H new ATOM 0 HG21 THR A 16 19.425 21.015 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 16 20.935 20.221 6.040 1.00 0.00 H new ATOM 0 HG23 THR A 16 20.055 21.269 4.903 1.00 0.00 H new ATOM 208 N TYR A 17 20.834 16.670 5.023 1.00 0.00 N ATOM 209 CA TYR A 17 21.903 15.832 5.554 1.00 0.00 C ATOM 210 C TYR A 17 22.612 15.079 4.433 1.00 0.00 C ATOM 211 O TYR A 17 23.826 14.871 4.480 1.00 0.00 O ATOM 212 CB TYR A 17 21.342 14.840 6.575 1.00 0.00 C ATOM 213 CG TYR A 17 22.407 14.138 7.385 1.00 0.00 C ATOM 214 CD1 TYR A 17 23.498 14.836 7.889 1.00 0.00 C ATOM 215 CD2 TYR A 17 22.323 12.776 7.648 1.00 0.00 C ATOM 216 CE1 TYR A 17 24.474 14.198 8.630 1.00 0.00 C ATOM 217 CE2 TYR A 17 23.294 12.130 8.389 1.00 0.00 C ATOM 218 CZ TYR A 17 24.368 12.845 8.877 1.00 0.00 C ATOM 219 OH TYR A 17 25.337 12.206 9.615 1.00 0.00 O ATOM 0 H TYR A 17 19.911 16.235 5.036 1.00 0.00 H new ATOM 0 HA TYR A 17 22.628 16.480 6.047 1.00 0.00 H new ATOM 0 HB2 TYR A 17 20.672 15.369 7.253 1.00 0.00 H new ATOM 0 HB3 TYR A 17 20.743 14.094 6.053 1.00 0.00 H new ATOM 0 HD1 TYR A 17 23.584 15.895 7.698 1.00 0.00 H new ATOM 0 HD2 TYR A 17 21.484 12.213 7.267 1.00 0.00 H new ATOM 0 HE1 TYR A 17 25.316 14.756 9.014 1.00 0.00 H new ATOM 0 HE2 TYR A 17 23.213 11.071 8.585 1.00 0.00 H new ATOM 0 HH TYR A 17 25.112 11.256 9.698 1.00 0.00 H new ATOM 229 N LEU A 18 21.848 14.672 3.426 1.00 0.00 N ATOM 230 CA LEU A 18 22.402 13.942 2.291 1.00 0.00 C ATOM 231 C LEU A 18 23.290 14.847 1.443 1.00 0.00 C ATOM 232 O LEU A 18 24.016 14.377 0.566 1.00 0.00 O ATOM 233 CB LEU A 18 21.275 13.363 1.433 1.00 0.00 C ATOM 234 CG LEU A 18 20.781 11.970 1.825 1.00 0.00 C ATOM 235 CD1 LEU A 18 19.629 11.542 0.930 1.00 0.00 C ATOM 236 CD2 LEU A 18 21.918 10.961 1.753 1.00 0.00 C ATOM 0 H LEU A 18 20.843 14.835 3.372 1.00 0.00 H new ATOM 0 HA LEU A 18 23.012 13.125 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.429 14.050 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.615 13.328 0.398 1.00 0.00 H new ATOM 0 HG LEU A 18 20.421 12.009 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.290 10.548 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.807 12.250 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.963 11.520 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 18 21.548 9.975 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.308 10.925 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 18 22.713 11.259 2.436 1.00 0.00 H new ATOM 248 N THR A 19 23.228 16.147 1.710 1.00 0.00 N ATOM 249 CA THR A 19 24.027 17.118 0.973 1.00 0.00 C ATOM 250 C THR A 19 25.330 17.425 1.701 1.00 0.00 C ATOM 251 O THR A 19 26.238 18.035 1.139 1.00 0.00 O ATOM 252 CB THR A 19 23.252 18.432 0.753 1.00 0.00 C ATOM 253 OG1 THR A 19 22.445 18.722 1.899 1.00 0.00 O ATOM 254 CG2 THR A 19 22.372 18.341 -0.484 1.00 0.00 C ATOM 0 H THR A 19 22.632 16.552 2.432 1.00 0.00 H new ATOM 0 HA THR A 19 24.253 16.671 0.005 1.00 0.00 H new ATOM 0 HB THR A 19 23.975 19.234 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 19 21.626 18.185 1.867 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.835 19.280 -0.618 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.993 18.150 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 19 21.656 17.528 -0.362 1.00 0.00 H new ATOM 262 N GLY A 20 25.415 16.998 2.958 1.00 0.00 N ATOM 263 CA GLY A 20 26.612 17.236 3.743 1.00 0.00 C ATOM 264 C GLY A 20 26.362 18.168 4.912 1.00 0.00 C ATOM 265 O GLY A 20 27.271 18.459 5.688 1.00 0.00 O ATOM 0 H GLY A 20 24.676 16.492 3.446 1.00 0.00 H new ATOM 0 HA2 GLY A 20 26.994 16.285 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.385 17.661 3.102 1.00 0.00 H new ATOM 269 N GLY A 21 25.126 18.641 5.037 1.00 0.00 N ATOM 270 CA GLY A 21 24.782 19.542 6.121 1.00 0.00 C ATOM 271 C GLY A 21 24.650 18.826 7.450 1.00 0.00 C ATOM 272 O GLY A 21 25.043 17.669 7.598 1.00 0.00 O ATOM 0 H GLY A 21 24.356 18.416 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 21 25.546 20.315 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.843 20.044 5.888 1.00 0.00 H new ATOM 276 N PRO A 22 24.087 19.523 8.449 1.00 0.00 N ATOM 277 CA PRO A 22 23.892 18.967 9.791 1.00 0.00 C ATOM 278 C PRO A 22 22.826 17.877 9.818 1.00 0.00 C ATOM 279 O PRO A 22 21.787 17.995 9.169 1.00 0.00 O ATOM 280 CB PRO A 22 23.442 20.176 10.614 1.00 0.00 C ATOM 281 CG PRO A 22 22.829 21.103 9.622 1.00 0.00 C ATOM 282 CD PRO A 22 23.595 20.907 8.344 1.00 0.00 C ATOM 0 HA PRO A 22 24.796 18.489 10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 22 22.724 19.887 11.382 1.00 0.00 H new ATOM 0 HB3 PRO A 22 24.284 20.643 11.124 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.771 20.880 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.894 22.137 9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 22 22.958 21.042 7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.415 21.619 8.254 1.00 0.00 H new ATOM 290 N GLY A 23 23.089 16.816 10.574 1.00 0.00 N ATOM 291 CA GLY A 23 22.142 15.721 10.672 1.00 0.00 C ATOM 292 C GLY A 23 22.776 14.452 11.206 1.00 0.00 C ATOM 293 O GLY A 23 23.888 14.462 11.734 1.00 0.00 O ATOM 0 H GLY A 23 23.942 16.695 11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 23 21.319 16.014 11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 23 21.716 15.524 9.688 1.00 0.00 H new ATOM 297 N PRO A 24 22.059 13.326 11.073 1.00 0.00 N ATOM 298 CA PRO A 24 20.733 13.301 10.447 1.00 0.00 C ATOM 299 C PRO A 24 19.675 13.990 11.303 1.00 0.00 C ATOM 300 O PRO A 24 19.622 13.795 12.517 1.00 0.00 O ATOM 301 CB PRO A 24 20.428 11.806 10.321 1.00 0.00 C ATOM 302 CG PRO A 24 21.238 11.163 11.394 1.00 0.00 C ATOM 303 CD PRO A 24 22.486 11.991 11.523 1.00 0.00 C ATOM 0 HA PRO A 24 20.721 13.834 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 24 19.365 11.606 10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 24 20.703 11.427 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.688 11.136 12.335 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.479 10.132 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 24 22.850 12.011 12.550 1.00 0.00 H new ATOM 0 HD3 PRO A 24 23.294 11.598 10.906 1.00 0.00 H new ATOM 311 N SER A 25 18.835 14.796 10.662 1.00 0.00 N ATOM 312 CA SER A 25 17.780 15.517 11.365 1.00 0.00 C ATOM 313 C SER A 25 16.778 14.546 11.981 1.00 0.00 C ATOM 314 O SER A 25 16.728 13.364 11.640 1.00 0.00 O ATOM 315 CB SER A 25 17.062 16.472 10.410 1.00 0.00 C ATOM 316 OG SER A 25 17.103 15.988 9.078 1.00 0.00 O ATOM 0 H SER A 25 18.864 14.966 9.657 1.00 0.00 H new ATOM 0 HA SER A 25 18.240 16.095 12.167 1.00 0.00 H new ATOM 0 HB2 SER A 25 16.025 16.594 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 25 17.527 17.456 10.457 1.00 0.00 H new ATOM 0 HG SER A 25 16.506 16.525 8.516 1.00 0.00 H new ATOM 322 N PRO A 26 15.958 15.056 12.912 1.00 0.00 N ATOM 323 CA PRO A 26 14.940 14.253 13.597 1.00 0.00 C ATOM 324 C PRO A 26 13.798 13.852 12.670 1.00 0.00 C ATOM 325 O PRO A 26 13.347 12.707 12.686 1.00 0.00 O ATOM 326 CB PRO A 26 14.432 15.187 14.698 1.00 0.00 C ATOM 327 CG PRO A 26 14.702 16.560 14.185 1.00 0.00 C ATOM 328 CD PRO A 26 15.960 16.457 13.368 1.00 0.00 C ATOM 0 HA PRO A 26 15.346 13.313 13.971 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.369 15.036 14.885 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.950 15.007 15.640 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.871 16.920 13.578 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.827 17.266 15.006 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.952 17.153 12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.845 16.685 13.962 1.00 0.00 H new ATOM 336 N GLN A 27 13.335 14.802 11.863 1.00 0.00 N ATOM 337 CA GLN A 27 12.245 14.546 10.929 1.00 0.00 C ATOM 338 C GLN A 27 12.666 13.541 9.863 1.00 0.00 C ATOM 339 O GLN A 27 11.862 12.725 9.411 1.00 0.00 O ATOM 340 CB GLN A 27 11.795 15.850 10.269 1.00 0.00 C ATOM 341 CG GLN A 27 11.227 16.864 11.248 1.00 0.00 C ATOM 342 CD GLN A 27 11.247 18.278 10.703 1.00 0.00 C ATOM 343 OE1 GLN A 27 11.972 18.579 9.754 1.00 0.00 O ATOM 344 NE2 GLN A 27 10.450 19.156 11.301 1.00 0.00 N ATOM 0 H GLN A 27 13.698 15.755 11.837 1.00 0.00 H new ATOM 0 HA GLN A 27 11.411 14.124 11.490 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.643 16.295 9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.041 15.624 9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.202 16.589 11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.799 16.828 12.175 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.866 18.864 12.084 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.422 20.123 10.977 1.00 0.00 H new ATOM 353 N CYS A 28 13.932 13.605 9.463 1.00 0.00 N ATOM 354 CA CYS A 28 14.461 12.701 8.449 1.00 0.00 C ATOM 355 C CYS A 28 14.449 11.259 8.946 1.00 0.00 C ATOM 356 O CYS A 28 13.941 10.362 8.272 1.00 0.00 O ATOM 357 CB CYS A 28 15.886 13.109 8.066 1.00 0.00 C ATOM 358 SG CYS A 28 16.798 11.836 7.134 1.00 0.00 S ATOM 0 H CYS A 28 14.611 14.274 9.826 1.00 0.00 H new ATOM 0 HA CYS A 28 13.822 12.768 7.569 1.00 0.00 H new ATOM 0 HB2 CYS A 28 15.844 14.020 7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 28 16.441 13.347 8.974 1.00 0.00 H new ATOM 363 N CYS A 29 15.012 11.042 10.130 1.00 0.00 N ATOM 364 CA CYS A 29 15.066 9.709 10.719 1.00 0.00 C ATOM 365 C CYS A 29 13.681 9.071 10.749 1.00 0.00 C ATOM 366 O CYS A 29 13.498 7.938 10.306 1.00 0.00 O ATOM 367 CB CYS A 29 15.640 9.778 12.136 1.00 0.00 C ATOM 368 SG CYS A 29 17.436 10.075 12.197 1.00 0.00 S ATOM 0 H CYS A 29 15.438 11.772 10.701 1.00 0.00 H new ATOM 0 HA CYS A 29 15.717 9.091 10.100 1.00 0.00 H new ATOM 0 HB2 CYS A 29 15.132 10.572 12.684 1.00 0.00 H new ATOM 0 HB3 CYS A 29 15.419 8.843 12.652 1.00 0.00 H new ATOM 373 N GLY A 30 12.707 9.807 11.276 1.00 0.00 N ATOM 374 CA GLY A 30 11.351 9.297 11.355 1.00 0.00 C ATOM 375 C GLY A 30 10.838 8.805 10.016 1.00 0.00 C ATOM 376 O GLY A 30 10.271 7.717 9.922 1.00 0.00 O ATOM 0 H GLY A 30 12.833 10.748 11.650 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.314 8.481 12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.692 10.082 11.727 1.00 0.00 H new ATOM 380 N GLY A 31 11.036 9.609 8.976 1.00 0.00 N ATOM 381 CA GLY A 31 10.581 9.233 7.650 1.00 0.00 C ATOM 382 C GLY A 31 11.337 8.042 7.095 1.00 0.00 C ATOM 383 O GLY A 31 10.747 7.158 6.474 1.00 0.00 O ATOM 0 H GLY A 31 11.503 10.514 9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.517 8.999 7.687 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.698 10.081 6.975 1.00 0.00 H new ATOM 387 N VAL A 32 12.647 8.019 7.316 1.00 0.00 N ATOM 388 CA VAL A 32 13.485 6.928 6.832 1.00 0.00 C ATOM 389 C VAL A 32 12.966 5.579 7.319 1.00 0.00 C ATOM 390 O VAL A 32 12.649 4.698 6.520 1.00 0.00 O ATOM 391 CB VAL A 32 14.947 7.098 7.288 1.00 0.00 C ATOM 392 CG1 VAL A 32 15.797 5.935 6.801 1.00 0.00 C ATOM 393 CG2 VAL A 32 15.507 8.423 6.793 1.00 0.00 C ATOM 0 H VAL A 32 13.151 8.743 7.827 1.00 0.00 H new ATOM 0 HA VAL A 32 13.446 6.958 5.743 1.00 0.00 H new ATOM 0 HB VAL A 32 14.972 7.103 8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 32 16.826 6.073 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 32 15.406 5.003 7.209 1.00 0.00 H new ATOM 0 HG13 VAL A 32 15.769 5.895 5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 32 16.540 8.528 7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.470 8.450 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.912 9.243 7.196 1.00 0.00 H new ATOM 403 N LYS A 33 12.881 5.425 8.636 1.00 0.00 N ATOM 404 CA LYS A 33 12.399 4.185 9.232 1.00 0.00 C ATOM 405 C LYS A 33 10.995 3.853 8.737 1.00 0.00 C ATOM 406 O LYS A 33 10.578 2.695 8.750 1.00 0.00 O ATOM 407 CB LYS A 33 12.400 4.294 10.759 1.00 0.00 C ATOM 408 CG LYS A 33 13.765 4.060 11.384 1.00 0.00 C ATOM 409 CD LYS A 33 13.752 4.351 12.875 1.00 0.00 C ATOM 410 CE LYS A 33 14.321 3.189 13.675 1.00 0.00 C ATOM 411 NZ LYS A 33 14.008 3.307 15.126 1.00 0.00 N ATOM 0 H LYS A 33 13.140 6.144 9.311 1.00 0.00 H new ATOM 0 HA LYS A 33 13.071 3.382 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.044 5.284 11.045 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.694 3.571 11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.071 3.027 11.216 1.00 0.00 H new ATOM 0 HG3 LYS A 33 14.504 4.695 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.333 5.251 13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.731 4.551 13.199 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.917 2.252 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.402 3.149 13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.413 2.496 15.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.415 4.189 15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.977 3.319 15.259 1.00 0.00 H new ATOM 425 N LYS A 34 10.270 4.877 8.298 1.00 0.00 N ATOM 426 CA LYS A 34 8.914 4.694 7.796 1.00 0.00 C ATOM 427 C LYS A 34 8.927 4.033 6.421 1.00 0.00 C ATOM 428 O LYS A 34 8.107 3.160 6.133 1.00 0.00 O ATOM 429 CB LYS A 34 8.191 6.041 7.718 1.00 0.00 C ATOM 430 CG LYS A 34 6.678 5.925 7.778 1.00 0.00 C ATOM 431 CD LYS A 34 6.167 6.035 9.205 1.00 0.00 C ATOM 432 CE LYS A 34 4.836 6.768 9.265 1.00 0.00 C ATOM 433 NZ LYS A 34 3.682 5.834 9.141 1.00 0.00 N ATOM 0 H LYS A 34 10.600 5.842 8.280 1.00 0.00 H new ATOM 0 HA LYS A 34 8.382 4.042 8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.531 6.674 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.472 6.541 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.228 6.708 7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.368 4.971 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.054 5.038 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.901 6.561 9.816 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.763 7.312 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.792 7.507 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.793 6.372 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.737 5.333 8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.709 5.144 9.919 1.00 0.00 H new ATOM 447 N LEU A 35 9.863 4.452 5.577 1.00 0.00 N ATOM 448 CA LEU A 35 9.985 3.898 4.233 1.00 0.00 C ATOM 449 C LEU A 35 10.375 2.424 4.284 1.00 0.00 C ATOM 450 O LEU A 35 9.896 1.616 3.487 1.00 0.00 O ATOM 451 CB LEU A 35 11.021 4.684 3.428 1.00 0.00 C ATOM 452 CG LEU A 35 11.037 4.426 1.921 1.00 0.00 C ATOM 453 CD1 LEU A 35 11.699 5.582 1.188 1.00 0.00 C ATOM 454 CD2 LEU A 35 11.750 3.118 1.611 1.00 0.00 C ATOM 0 H LEU A 35 10.549 5.174 5.799 1.00 0.00 H new ATOM 0 HA LEU A 35 9.015 3.981 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.849 5.748 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.010 4.456 3.826 1.00 0.00 H new ATOM 0 HG LEU A 35 10.006 4.346 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.701 5.380 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.146 6.501 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.725 5.695 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.752 2.951 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.777 3.169 1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.233 2.296 2.105 1.00 0.00 H new ATOM 466 N LEU A 36 11.245 2.081 5.227 1.00 0.00 N ATOM 467 CA LEU A 36 11.698 0.703 5.385 1.00 0.00 C ATOM 468 C LEU A 36 10.669 -0.125 6.148 1.00 0.00 C ATOM 469 O LEU A 36 10.587 -1.341 5.978 1.00 0.00 O ATOM 470 CB LEU A 36 13.042 0.668 6.115 1.00 0.00 C ATOM 471 CG LEU A 36 14.166 1.496 5.493 1.00 0.00 C ATOM 472 CD1 LEU A 36 15.305 1.679 6.484 1.00 0.00 C ATOM 473 CD2 LEU A 36 14.669 0.839 4.216 1.00 0.00 C ATOM 0 H LEU A 36 11.651 2.738 5.894 1.00 0.00 H new ATOM 0 HA LEU A 36 11.820 0.270 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.887 1.013 7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.373 -0.369 6.176 1.00 0.00 H new ATOM 0 HG LEU A 36 13.769 2.479 5.240 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.096 2.271 6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.936 2.194 7.371 1.00 0.00 H new ATOM 0 HD13 LEU A 36 15.700 0.704 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 36 15.469 1.442 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 36 15.048 -0.157 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.850 0.760 3.501 1.00 0.00 H new ATOM 485 N ALA A 37 9.886 0.543 6.988 1.00 0.00 N ATOM 486 CA ALA A 37 8.859 -0.130 7.774 1.00 0.00 C ATOM 487 C ALA A 37 7.625 -0.425 6.928 1.00 0.00 C ATOM 488 O ALA A 37 6.967 -1.449 7.109 1.00 0.00 O ATOM 489 CB ALA A 37 8.483 0.712 8.983 1.00 0.00 C ATOM 0 H ALA A 37 9.943 1.550 7.142 1.00 0.00 H new ATOM 0 HA ALA A 37 9.266 -1.080 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.715 0.197 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.363 0.867 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.100 1.677 8.650 1.00 0.00 H new ATOM 495 N ALA A 38 7.317 0.479 6.004 1.00 0.00 N ATOM 496 CA ALA A 38 6.163 0.315 5.129 1.00 0.00 C ATOM 497 C ALA A 38 6.435 -0.729 4.051 1.00 0.00 C ATOM 498 O ALA A 38 5.528 -1.136 3.325 1.00 0.00 O ATOM 499 CB ALA A 38 5.787 1.646 4.495 1.00 0.00 C ATOM 0 H ALA A 38 7.851 1.333 5.842 1.00 0.00 H new ATOM 0 HA ALA A 38 5.327 -0.035 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.924 1.508 3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.541 2.365 5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.627 2.020 3.909 1.00 0.00 H new ATOM 505 N ALA A 39 7.689 -1.157 3.952 1.00 0.00 N ATOM 506 CA ALA A 39 8.079 -2.155 2.963 1.00 0.00 C ATOM 507 C ALA A 39 8.759 -3.348 3.626 1.00 0.00 C ATOM 508 O ALA A 39 9.985 -3.443 3.646 1.00 0.00 O ATOM 509 CB ALA A 39 8.998 -1.533 1.922 1.00 0.00 C ATOM 0 H ALA A 39 8.452 -0.829 4.544 1.00 0.00 H new ATOM 0 HA ALA A 39 7.176 -2.514 2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.282 -2.289 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.479 -0.717 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.893 -1.147 2.411 1.00 0.00 H new ATOM 515 N ASN A 40 7.954 -4.255 4.169 1.00 0.00 N ATOM 516 CA ASN A 40 8.479 -5.442 4.835 1.00 0.00 C ATOM 517 C ASN A 40 8.865 -6.511 3.817 1.00 0.00 C ATOM 518 O ASN A 40 9.843 -7.236 4.001 1.00 0.00 O ATOM 519 CB ASN A 40 7.444 -6.003 5.812 1.00 0.00 C ATOM 520 CG ASN A 40 7.773 -7.417 6.253 1.00 0.00 C ATOM 521 OD1 ASN A 40 7.444 -8.385 5.568 1.00 0.00 O ATOM 522 ND2 ASN A 40 8.424 -7.541 7.404 1.00 0.00 N ATOM 0 H ASN A 40 6.936 -4.191 4.161 1.00 0.00 H new ATOM 0 HA ASN A 40 9.372 -5.153 5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.387 -5.356 6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.461 -5.991 5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.671 -8.467 7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.677 -6.710 7.939 1.00 0.00 H new ATOM 529 N THR A 41 8.091 -6.602 2.740 1.00 0.00 N ATOM 530 CA THR A 41 8.350 -7.581 1.692 1.00 0.00 C ATOM 531 C THR A 41 9.368 -7.054 0.687 1.00 0.00 C ATOM 532 O THR A 41 9.927 -5.970 0.862 1.00 0.00 O ATOM 533 CB THR A 41 7.058 -7.961 0.945 1.00 0.00 C ATOM 534 OG1 THR A 41 6.606 -6.856 0.155 1.00 0.00 O ATOM 535 CG2 THR A 41 5.968 -8.371 1.924 1.00 0.00 C ATOM 0 H THR A 41 7.279 -6.009 2.571 1.00 0.00 H new ATOM 0 HA THR A 41 8.752 -8.468 2.181 1.00 0.00 H new ATOM 0 HB THR A 41 7.276 -8.807 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.785 -7.106 -0.318 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.065 -8.635 1.374 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.304 -9.231 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.753 -7.541 2.597 1.00 0.00 H new ATOM 543 N THR A 42 9.606 -7.827 -0.368 1.00 0.00 N ATOM 544 CA THR A 42 10.557 -7.438 -1.401 1.00 0.00 C ATOM 545 C THR A 42 9.922 -6.478 -2.400 1.00 0.00 C ATOM 546 O THR A 42 10.471 -5.423 -2.718 1.00 0.00 O ATOM 547 CB THR A 42 11.096 -8.666 -2.159 1.00 0.00 C ATOM 548 OG1 THR A 42 11.063 -9.819 -1.311 1.00 0.00 O ATOM 549 CG2 THR A 42 12.520 -8.424 -2.638 1.00 0.00 C ATOM 0 H THR A 42 9.153 -8.726 -0.529 1.00 0.00 H new ATOM 0 HA THR A 42 11.384 -6.939 -0.897 1.00 0.00 H new ATOM 0 HB THR A 42 10.460 -8.836 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 42 11.406 -10.595 -1.801 1.00 0.00 H new ATOM 0 HG21 THR A 42 12.879 -9.305 -3.170 1.00 0.00 H new ATOM 0 HG22 THR A 42 12.538 -7.563 -3.307 1.00 0.00 H new ATOM 0 HG23 THR A 42 13.164 -8.230 -1.780 1.00 0.00 H new ATOM 557 N PRO A 43 8.737 -6.848 -2.907 1.00 0.00 N ATOM 558 CA PRO A 43 8.001 -6.031 -3.876 1.00 0.00 C ATOM 559 C PRO A 43 7.907 -4.570 -3.451 1.00 0.00 C ATOM 560 O PRO A 43 8.203 -3.666 -4.232 1.00 0.00 O ATOM 561 CB PRO A 43 6.611 -6.672 -3.897 1.00 0.00 C ATOM 562 CG PRO A 43 6.840 -8.087 -3.490 1.00 0.00 C ATOM 563 CD PRO A 43 8.024 -8.092 -2.573 1.00 0.00 C ATOM 0 HA PRO A 43 8.492 -6.012 -4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.932 -6.167 -3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.163 -6.613 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.961 -8.491 -2.987 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.025 -8.714 -4.362 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.719 -8.109 -1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.652 -8.968 -2.736 1.00 0.00 H new ATOM 571 N ASP A 44 7.494 -4.346 -2.208 1.00 0.00 N ATOM 572 CA ASP A 44 7.363 -2.993 -1.678 1.00 0.00 C ATOM 573 C ASP A 44 8.723 -2.306 -1.602 1.00 0.00 C ATOM 574 O ASP A 44 8.858 -1.135 -1.958 1.00 0.00 O ATOM 575 CB ASP A 44 6.716 -3.026 -0.293 1.00 0.00 C ATOM 576 CG ASP A 44 5.204 -2.930 -0.358 1.00 0.00 C ATOM 577 OD1 ASP A 44 4.695 -2.118 -1.158 1.00 0.00 O ATOM 578 OD2 ASP A 44 4.531 -3.668 0.391 1.00 0.00 O ATOM 0 H ASP A 44 7.244 -5.083 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 44 6.726 -2.424 -2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.997 -3.949 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.104 -2.202 0.306 1.00 0.00 H new ATOM 583 N ARG A 45 9.727 -3.041 -1.135 1.00 0.00 N ATOM 584 CA ARG A 45 11.075 -2.501 -1.010 1.00 0.00 C ATOM 585 C ARG A 45 11.642 -2.132 -2.378 1.00 0.00 C ATOM 586 O ARG A 45 12.434 -1.197 -2.500 1.00 0.00 O ATOM 587 CB ARG A 45 11.992 -3.514 -0.323 1.00 0.00 C ATOM 588 CG ARG A 45 12.021 -3.381 1.191 1.00 0.00 C ATOM 589 CD ARG A 45 13.001 -4.360 1.818 1.00 0.00 C ATOM 590 NE ARG A 45 12.752 -4.546 3.245 1.00 0.00 N ATOM 591 CZ ARG A 45 13.563 -5.223 4.050 1.00 0.00 C ATOM 592 NH1 ARG A 45 14.670 -5.774 3.571 1.00 0.00 N ATOM 593 NH2 ARG A 45 13.269 -5.348 5.338 1.00 0.00 N ATOM 0 H ARG A 45 9.632 -4.012 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 45 11.022 -1.598 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 45 11.667 -4.521 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.004 -3.395 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.299 -2.363 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.023 -3.557 1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 45 12.929 -5.321 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 45 14.019 -3.998 1.672 1.00 0.00 H new ATOM 0 HE ARG A 45 11.909 -4.134 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.901 -5.678 2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.291 -6.293 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.419 -4.924 5.711 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.893 -5.868 5.955 1.00 0.00 H new ATOM 607 N GLN A 46 11.231 -2.872 -3.402 1.00 0.00 N ATOM 608 CA GLN A 46 11.700 -2.623 -4.760 1.00 0.00 C ATOM 609 C GLN A 46 11.169 -1.292 -5.284 1.00 0.00 C ATOM 610 O GLN A 46 11.905 -0.514 -5.889 1.00 0.00 O ATOM 611 CB GLN A 46 11.266 -3.759 -5.688 1.00 0.00 C ATOM 612 CG GLN A 46 12.280 -4.888 -5.782 1.00 0.00 C ATOM 613 CD GLN A 46 11.735 -6.103 -6.507 1.00 0.00 C ATOM 614 OE1 GLN A 46 11.979 -6.289 -7.700 1.00 0.00 O ATOM 615 NE2 GLN A 46 10.993 -6.938 -5.790 1.00 0.00 N ATOM 0 H GLN A 46 10.575 -3.648 -3.318 1.00 0.00 H new ATOM 0 HA GLN A 46 12.789 -2.576 -4.739 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.317 -4.163 -5.336 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.090 -3.356 -6.685 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.170 -4.530 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.590 -5.177 -4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.816 -6.745 -4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.600 -7.773 -6.225 1.00 0.00 H new ATOM 624 N ALA A 47 9.886 -1.038 -5.047 1.00 0.00 N ATOM 625 CA ALA A 47 9.257 0.199 -5.493 1.00 0.00 C ATOM 626 C ALA A 47 9.943 1.415 -4.881 1.00 0.00 C ATOM 627 O ALA A 47 10.362 2.327 -5.594 1.00 0.00 O ATOM 628 CB ALA A 47 7.776 0.194 -5.143 1.00 0.00 C ATOM 0 H ALA A 47 9.262 -1.673 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 47 9.363 0.262 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.319 1.124 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.289 -0.649 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.658 0.104 -4.063 1.00 0.00 H new ATOM 634 N ALA A 48 10.054 1.423 -3.557 1.00 0.00 N ATOM 635 CA ALA A 48 10.691 2.527 -2.850 1.00 0.00 C ATOM 636 C ALA A 48 12.122 2.735 -3.333 1.00 0.00 C ATOM 637 O ALA A 48 12.500 3.839 -3.728 1.00 0.00 O ATOM 638 CB ALA A 48 10.669 2.275 -1.349 1.00 0.00 C ATOM 0 H ALA A 48 9.711 0.677 -2.952 1.00 0.00 H new ATOM 0 HA ALA A 48 10.128 3.436 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.148 3.107 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.637 2.184 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.206 1.353 -1.127 1.00 0.00 H new ATOM 644 N CYS A 49 12.915 1.670 -3.297 1.00 0.00 N ATOM 645 CA CYS A 49 14.305 1.736 -3.730 1.00 0.00 C ATOM 646 C CYS A 49 14.422 2.439 -5.080 1.00 0.00 C ATOM 647 O CYS A 49 15.364 3.193 -5.318 1.00 0.00 O ATOM 648 CB CYS A 49 14.900 0.329 -3.823 1.00 0.00 C ATOM 649 SG CYS A 49 15.683 -0.250 -2.283 1.00 0.00 S ATOM 0 H CYS A 49 12.618 0.750 -2.972 1.00 0.00 H new ATOM 0 HA CYS A 49 14.862 2.311 -2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.111 -0.370 -4.102 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.640 0.311 -4.623 1.00 0.00 H new ATOM 654 N ASN A 50 13.458 2.185 -5.958 1.00 0.00 N ATOM 655 CA ASN A 50 13.452 2.793 -7.284 1.00 0.00 C ATOM 656 C ASN A 50 13.278 4.305 -7.188 1.00 0.00 C ATOM 657 O ASN A 50 13.967 5.065 -7.870 1.00 0.00 O ATOM 658 CB ASN A 50 12.334 2.193 -8.138 1.00 0.00 C ATOM 659 CG ASN A 50 12.498 0.699 -8.340 1.00 0.00 C ATOM 660 OD1 ASN A 50 13.613 0.177 -8.319 1.00 0.00 O ATOM 661 ND2 ASN A 50 11.385 0.002 -8.538 1.00 0.00 N ATOM 0 H ASN A 50 12.671 1.563 -5.776 1.00 0.00 H new ATOM 0 HA ASN A 50 14.412 2.585 -7.756 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.373 2.389 -7.663 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.317 2.688 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.434 -1.007 -8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.482 0.476 -8.548 1.00 0.00 H new ATOM 668 N CYS A 51 12.353 4.736 -6.337 1.00 0.00 N ATOM 669 CA CYS A 51 12.088 6.158 -6.150 1.00 0.00 C ATOM 670 C CYS A 51 13.233 6.831 -5.399 1.00 0.00 C ATOM 671 O CYS A 51 13.524 8.008 -5.614 1.00 0.00 O ATOM 672 CB CYS A 51 10.776 6.357 -5.388 1.00 0.00 C ATOM 673 SG CYS A 51 9.285 6.216 -6.426 1.00 0.00 S ATOM 0 H CYS A 51 11.774 4.121 -5.766 1.00 0.00 H new ATOM 0 HA CYS A 51 12.003 6.619 -7.134 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.719 5.621 -4.586 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.787 7.340 -4.918 1.00 0.00 H new ATOM 678 N LEU A 52 13.879 6.076 -4.517 1.00 0.00 N ATOM 679 CA LEU A 52 14.992 6.598 -3.733 1.00 0.00 C ATOM 680 C LEU A 52 16.249 6.722 -4.588 1.00 0.00 C ATOM 681 O LEU A 52 16.822 7.804 -4.717 1.00 0.00 O ATOM 682 CB LEU A 52 15.266 5.692 -2.531 1.00 0.00 C ATOM 683 CG LEU A 52 14.494 6.020 -1.253 1.00 0.00 C ATOM 684 CD1 LEU A 52 14.757 4.969 -0.186 1.00 0.00 C ATOM 685 CD2 LEU A 52 14.868 7.405 -0.745 1.00 0.00 C ATOM 0 H LEU A 52 13.651 5.100 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 52 14.718 7.591 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.037 4.665 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 52 16.332 5.731 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 52 13.429 6.015 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.199 5.219 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.438 3.993 -0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.822 4.941 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.309 7.622 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.936 7.438 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.627 8.149 -1.505 1.00 0.00 H new ATOM 697 N LYS A 53 16.673 5.607 -5.172 1.00 0.00 N ATOM 698 CA LYS A 53 17.861 5.589 -6.018 1.00 0.00 C ATOM 699 C LYS A 53 17.797 6.693 -7.068 1.00 0.00 C ATOM 700 O LYS A 53 18.790 7.370 -7.332 1.00 0.00 O ATOM 701 CB LYS A 53 18.005 4.228 -6.702 1.00 0.00 C ATOM 702 CG LYS A 53 19.447 3.820 -6.948 1.00 0.00 C ATOM 703 CD LYS A 53 19.790 2.523 -6.235 1.00 0.00 C ATOM 704 CE LYS A 53 19.721 2.683 -4.724 1.00 0.00 C ATOM 705 NZ LYS A 53 18.957 1.576 -4.084 1.00 0.00 N ATOM 0 H LYS A 53 16.211 4.703 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 53 18.730 5.764 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 53 17.521 3.469 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.475 4.252 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 53 19.615 3.703 -8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.113 4.612 -6.605 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.101 1.740 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 53 20.791 2.202 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 53 20.731 2.711 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.252 3.636 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 18.932 1.721 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.986 1.565 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.419 0.668 -4.295 1.00 0.00 H new ATOM 719 N SER A 54 16.621 6.870 -7.663 1.00 0.00 N ATOM 720 CA SER A 54 16.429 7.891 -8.687 1.00 0.00 C ATOM 721 C SER A 54 16.343 9.279 -8.060 1.00 0.00 C ATOM 722 O SER A 54 16.675 10.280 -8.694 1.00 0.00 O ATOM 723 CB SER A 54 15.160 7.603 -9.492 1.00 0.00 C ATOM 724 OG SER A 54 14.947 8.597 -10.480 1.00 0.00 O ATOM 0 H SER A 54 15.788 6.320 -7.454 1.00 0.00 H new ATOM 0 HA SER A 54 17.289 7.866 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.241 6.625 -9.967 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.302 7.562 -8.822 1.00 0.00 H new ATOM 0 HG SER A 54 14.131 8.390 -10.982 1.00 0.00 H new ATOM 730 N ALA A 55 15.894 9.330 -6.810 1.00 0.00 N ATOM 731 CA ALA A 55 15.766 10.594 -6.095 1.00 0.00 C ATOM 732 C ALA A 55 17.134 11.181 -5.768 1.00 0.00 C ATOM 733 O ALA A 55 17.376 12.370 -5.976 1.00 0.00 O ATOM 734 CB ALA A 55 14.954 10.401 -4.823 1.00 0.00 C ATOM 0 H ALA A 55 15.613 8.511 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 55 15.244 11.298 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.866 11.353 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.960 10.034 -5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 55 15.453 9.677 -4.179 1.00 0.00 H new ATOM 740 N ALA A 56 18.027 10.341 -5.255 1.00 0.00 N ATOM 741 CA ALA A 56 19.371 10.777 -4.900 1.00 0.00 C ATOM 742 C ALA A 56 20.156 11.199 -6.138 1.00 0.00 C ATOM 743 O ALA A 56 21.201 11.840 -6.034 1.00 0.00 O ATOM 744 CB ALA A 56 20.107 9.670 -4.160 1.00 0.00 C ATOM 0 H ALA A 56 17.843 9.354 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 56 19.283 11.643 -4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 56 21.110 10.010 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 56 19.563 9.417 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 20.176 8.789 -4.798 1.00 0.00 H new ATOM 750 N GLY A 57 19.644 10.835 -7.310 1.00 0.00 N ATOM 751 CA GLY A 57 20.311 11.185 -8.551 1.00 0.00 C ATOM 752 C GLY A 57 20.470 12.683 -8.721 1.00 0.00 C ATOM 753 O GLY A 57 21.285 13.140 -9.523 1.00 0.00 O ATOM 0 H GLY A 57 18.780 10.305 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.293 10.713 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 57 19.742 10.785 -9.391 1.00 0.00 H new ATOM 757 N SER A 58 19.689 13.449 -7.967 1.00 0.00 N ATOM 758 CA SER A 58 19.744 14.904 -8.042 1.00 0.00 C ATOM 759 C SER A 58 20.736 15.464 -7.028 1.00 0.00 C ATOM 760 O SER A 58 20.908 16.678 -6.916 1.00 0.00 O ATOM 761 CB SER A 58 18.356 15.501 -7.797 1.00 0.00 C ATOM 762 OG SER A 58 18.211 16.744 -8.463 1.00 0.00 O ATOM 0 H SER A 58 19.011 13.086 -7.297 1.00 0.00 H new ATOM 0 HA SER A 58 20.080 15.179 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.591 14.807 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 58 18.199 15.638 -6.727 1.00 0.00 H new ATOM 0 HG SER A 58 17.316 17.104 -8.292 1.00 0.00 H new ATOM 768 N ILE A 59 21.387 14.570 -6.291 1.00 0.00 N ATOM 769 CA ILE A 59 22.363 14.974 -5.286 1.00 0.00 C ATOM 770 C ILE A 59 23.732 15.209 -5.914 1.00 0.00 C ATOM 771 O ILE A 59 24.353 14.286 -6.443 1.00 0.00 O ATOM 772 CB ILE A 59 22.496 13.917 -4.174 1.00 0.00 C ATOM 773 CG1 ILE A 59 21.124 13.602 -3.573 1.00 0.00 C ATOM 774 CG2 ILE A 59 23.454 14.401 -3.096 1.00 0.00 C ATOM 775 CD1 ILE A 59 21.174 12.590 -2.450 1.00 0.00 C ATOM 0 H ILE A 59 21.256 13.562 -6.371 1.00 0.00 H new ATOM 0 HA ILE A 59 22.001 15.905 -4.850 1.00 0.00 H new ATOM 0 HB ILE A 59 22.900 13.003 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.679 14.525 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.469 13.228 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.538 13.643 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 59 24.435 14.580 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 59 23.076 15.327 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.167 12.416 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.589 11.653 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.802 12.971 -1.645 1.00 0.00 H new ATOM 787 N THR A 60 24.200 16.452 -5.851 1.00 0.00 N ATOM 788 CA THR A 60 25.497 16.810 -6.413 1.00 0.00 C ATOM 789 C THR A 60 26.635 16.291 -5.542 1.00 0.00 C ATOM 790 O THR A 60 26.711 16.598 -4.352 1.00 0.00 O ATOM 791 CB THR A 60 25.640 18.336 -6.569 1.00 0.00 C ATOM 792 OG1 THR A 60 26.963 18.661 -7.009 1.00 0.00 O ATOM 793 CG2 THR A 60 25.348 19.044 -5.255 1.00 0.00 C ATOM 0 H THR A 60 23.700 17.228 -5.416 1.00 0.00 H new ATOM 0 HA THR A 60 25.555 16.345 -7.397 1.00 0.00 H new ATOM 0 HB THR A 60 24.918 18.673 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 60 27.046 19.633 -7.107 1.00 0.00 H new ATOM 0 HG21 THR A 60 25.455 20.120 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 60 24.330 18.818 -4.938 1.00 0.00 H new ATOM 0 HG23 THR A 60 26.049 18.702 -4.494 1.00 0.00 H new ATOM 801 N LYS A 61 27.521 15.502 -6.142 1.00 0.00 N ATOM 802 CA LYS A 61 28.658 14.941 -5.422 1.00 0.00 C ATOM 803 C LYS A 61 28.191 14.103 -4.236 1.00 0.00 C ATOM 804 O LYS A 61 28.672 14.273 -3.115 1.00 0.00 O ATOM 805 CB LYS A 61 29.583 16.059 -4.937 1.00 0.00 C ATOM 806 CG LYS A 61 30.527 16.576 -6.009 1.00 0.00 C ATOM 807 CD LYS A 61 31.844 17.044 -5.414 1.00 0.00 C ATOM 808 CE LYS A 61 32.982 16.928 -6.417 1.00 0.00 C ATOM 809 NZ LYS A 61 34.058 17.922 -6.152 1.00 0.00 N ATOM 0 H LYS A 61 27.473 15.237 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 61 29.207 14.295 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 61 28.977 16.887 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.169 15.694 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.716 15.789 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 61 30.055 17.400 -6.544 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.749 18.080 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.076 16.451 -4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.399 15.922 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.594 17.073 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.815 17.811 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.666 18.883 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.446 17.768 -5.200 1.00 0.00 H new ATOM 823 N LEU A 62 27.253 13.197 -4.491 1.00 0.00 N ATOM 824 CA LEU A 62 26.722 12.331 -3.444 1.00 0.00 C ATOM 825 C LEU A 62 27.851 11.657 -2.671 1.00 0.00 C ATOM 826 O LEU A 62 28.845 11.225 -3.254 1.00 0.00 O ATOM 827 CB LEU A 62 25.800 11.271 -4.050 1.00 0.00 C ATOM 828 CG LEU A 62 25.296 10.192 -3.091 1.00 0.00 C ATOM 829 CD1 LEU A 62 23.980 10.614 -2.457 1.00 0.00 C ATOM 830 CD2 LEU A 62 25.139 8.864 -3.818 1.00 0.00 C ATOM 0 H LEU A 62 26.845 13.043 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 62 26.150 12.948 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 62 24.937 11.775 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 62 26.329 10.783 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 62 26.033 10.064 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 62 23.637 9.834 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 62 24.124 11.541 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 62 23.234 10.770 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 24.780 8.108 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 62 24.422 8.977 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 62 26.102 8.555 -4.223 1.00 0.00 H new ATOM 842 N ASN A 63 27.689 11.568 -1.354 1.00 0.00 N ATOM 843 CA ASN A 63 28.695 10.945 -0.501 1.00 0.00 C ATOM 844 C ASN A 63 28.210 9.592 0.011 1.00 0.00 C ATOM 845 O ASN A 63 27.380 9.519 0.919 1.00 0.00 O ATOM 846 CB ASN A 63 29.030 11.859 0.679 1.00 0.00 C ATOM 847 CG ASN A 63 30.458 11.684 1.158 1.00 0.00 C ATOM 848 OD1 ASN A 63 30.899 10.569 1.436 1.00 0.00 O ATOM 849 ND2 ASN A 63 31.188 12.789 1.258 1.00 0.00 N ATOM 0 H ASN A 63 26.872 11.919 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 63 29.594 10.788 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 63 28.872 12.897 0.387 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.346 11.652 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.156 12.734 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.781 13.693 1.017 1.00 0.00 H new ATOM 856 N THR A 64 28.734 8.520 -0.576 1.00 0.00 N ATOM 857 CA THR A 64 28.355 7.170 -0.180 1.00 0.00 C ATOM 858 C THR A 64 28.522 6.970 1.322 1.00 0.00 C ATOM 859 O THR A 64 27.738 6.265 1.954 1.00 0.00 O ATOM 860 CB THR A 64 29.191 6.111 -0.924 1.00 0.00 C ATOM 861 OG1 THR A 64 30.586 6.409 -0.794 1.00 0.00 O ATOM 862 CG2 THR A 64 28.813 6.060 -2.396 1.00 0.00 C ATOM 0 H THR A 64 29.422 8.561 -1.328 1.00 0.00 H new ATOM 0 HA THR A 64 27.305 7.046 -0.445 1.00 0.00 H new ATOM 0 HB THR A 64 28.985 5.138 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 64 31.111 5.731 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 64 29.416 5.305 -2.901 1.00 0.00 H new ATOM 0 HG22 THR A 64 27.758 5.805 -2.492 1.00 0.00 H new ATOM 0 HG23 THR A 64 28.994 7.033 -2.852 1.00 0.00 H new ATOM 870 N ASN A 65 29.550 7.596 1.887 1.00 0.00 N ATOM 871 CA ASN A 65 29.819 7.486 3.316 1.00 0.00 C ATOM 872 C ASN A 65 28.707 8.139 4.131 1.00 0.00 C ATOM 873 O ASN A 65 28.241 7.580 5.123 1.00 0.00 O ATOM 874 CB ASN A 65 31.163 8.135 3.654 1.00 0.00 C ATOM 875 CG ASN A 65 32.341 7.319 3.158 1.00 0.00 C ATOM 876 OD1 ASN A 65 32.571 7.209 1.953 1.00 0.00 O ATOM 877 ND2 ASN A 65 33.093 6.740 4.087 1.00 0.00 N ATOM 0 H ASN A 65 30.210 8.184 1.377 1.00 0.00 H new ATOM 0 HA ASN A 65 29.859 6.427 3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 65 31.203 9.131 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 65 31.241 8.261 4.734 1.00 0.00 H new ATOM 0 HD21 ASN A 65 33.898 6.177 3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 65 32.865 6.858 5.074 1.00 0.00 H new ATOM 884 N ASN A 66 28.286 9.325 3.704 1.00 0.00 N ATOM 885 CA ASN A 66 27.229 10.055 4.394 1.00 0.00 C ATOM 886 C ASN A 66 25.892 9.333 4.257 1.00 0.00 C ATOM 887 O ASN A 66 25.108 9.272 5.204 1.00 0.00 O ATOM 888 CB ASN A 66 27.114 11.475 3.838 1.00 0.00 C ATOM 889 CG ASN A 66 28.417 12.243 3.939 1.00 0.00 C ATOM 890 OD1 ASN A 66 29.392 11.760 4.515 1.00 0.00 O ATOM 891 ND2 ASN A 66 28.440 13.446 3.377 1.00 0.00 N ATOM 0 H ASN A 66 28.661 9.801 2.883 1.00 0.00 H new ATOM 0 HA ASN A 66 27.488 10.107 5.452 1.00 0.00 H new ATOM 0 HB2 ASN A 66 26.802 11.429 2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 66 26.336 12.012 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 66 29.290 14.009 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 66 27.608 13.807 2.910 1.00 0.00 H new ATOM 898 N ALA A 67 25.639 8.787 3.072 1.00 0.00 N ATOM 899 CA ALA A 67 24.398 8.068 2.812 1.00 0.00 C ATOM 900 C ALA A 67 24.234 6.893 3.770 1.00 0.00 C ATOM 901 O ALA A 67 23.133 6.616 4.245 1.00 0.00 O ATOM 902 CB ALA A 67 24.361 7.584 1.369 1.00 0.00 C ATOM 0 H ALA A 67 26.277 8.829 2.277 1.00 0.00 H new ATOM 0 HA ALA A 67 23.568 8.755 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 67 23.429 7.049 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.424 8.440 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 67 25.204 6.917 1.187 1.00 0.00 H new ATOM 908 N ALA A 68 25.336 6.204 4.048 1.00 0.00 N ATOM 909 CA ALA A 68 25.313 5.059 4.951 1.00 0.00 C ATOM 910 C ALA A 68 25.222 5.508 6.405 1.00 0.00 C ATOM 911 O ALA A 68 24.710 4.784 7.257 1.00 0.00 O ATOM 912 CB ALA A 68 26.549 4.196 4.739 1.00 0.00 C ATOM 0 H ALA A 68 26.255 6.418 3.661 1.00 0.00 H new ATOM 0 HA ALA A 68 24.426 4.467 4.725 1.00 0.00 H new ATOM 0 HB1 ALA A 68 26.519 3.345 5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 68 26.570 3.838 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 68 27.443 4.787 4.936 1.00 0.00 H new ATOM 918 N ALA A 69 25.723 6.708 6.682 1.00 0.00 N ATOM 919 CA ALA A 69 25.697 7.254 8.033 1.00 0.00 C ATOM 920 C ALA A 69 24.287 7.684 8.424 1.00 0.00 C ATOM 921 O ALA A 69 23.924 7.660 9.601 1.00 0.00 O ATOM 922 CB ALA A 69 26.659 8.427 8.147 1.00 0.00 C ATOM 0 H ALA A 69 26.152 7.320 5.988 1.00 0.00 H new ATOM 0 HA ALA A 69 26.014 6.470 8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 69 26.629 8.825 9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.671 8.091 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 69 26.368 9.206 7.443 1.00 0.00 H new ATOM 928 N LEU A 70 23.497 8.076 7.431 1.00 0.00 N ATOM 929 CA LEU A 70 22.126 8.513 7.671 1.00 0.00 C ATOM 930 C LEU A 70 21.347 7.457 8.450 1.00 0.00 C ATOM 931 O LEU A 70 20.823 7.712 9.535 1.00 0.00 O ATOM 932 CB LEU A 70 21.423 8.805 6.345 1.00 0.00 C ATOM 933 CG LEU A 70 19.905 8.623 6.335 1.00 0.00 C ATOM 934 CD1 LEU A 70 19.255 9.498 7.395 1.00 0.00 C ATOM 935 CD2 LEU A 70 19.338 8.939 4.958 1.00 0.00 C ATOM 0 H LEU A 70 23.782 8.100 6.452 1.00 0.00 H new ATOM 0 HA LEU A 70 22.161 9.426 8.265 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.647 9.832 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 70 21.851 8.158 5.580 1.00 0.00 H new ATOM 0 HG LEU A 70 19.682 7.581 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.175 9.355 7.373 1.00 0.00 H new ATOM 0 HD12 LEU A 70 19.637 9.223 8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 70 19.487 10.544 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.256 8.804 4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.572 9.971 4.696 1.00 0.00 H new ATOM 0 HD23 LEU A 70 19.779 8.269 4.220 1.00 0.00 H new ATOM 947 N PRO A 71 21.270 6.242 7.887 1.00 0.00 N ATOM 948 CA PRO A 71 20.560 5.123 8.513 1.00 0.00 C ATOM 949 C PRO A 71 21.273 4.608 9.758 1.00 0.00 C ATOM 950 O PRO A 71 20.635 4.233 10.741 1.00 0.00 O ATOM 951 CB PRO A 71 20.553 4.052 7.419 1.00 0.00 C ATOM 952 CG PRO A 71 21.734 4.371 6.569 1.00 0.00 C ATOM 953 CD PRO A 71 21.871 5.868 6.596 1.00 0.00 C ATOM 0 HA PRO A 71 19.565 5.410 8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.630 3.051 7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 71 19.629 4.083 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.633 3.890 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.591 4.011 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.914 6.177 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.350 6.334 5.760 1.00 0.00 H new ATOM 961 N GLY A 72 22.602 4.594 9.711 1.00 0.00 N ATOM 962 CA GLY A 72 23.380 4.123 10.842 1.00 0.00 C ATOM 963 C GLY A 72 23.181 4.978 12.078 1.00 0.00 C ATOM 964 O GLY A 72 22.964 4.459 13.173 1.00 0.00 O ATOM 0 H GLY A 72 23.154 4.901 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 72 23.102 3.094 11.067 1.00 0.00 H new ATOM 0 HA3 GLY A 72 24.437 4.116 10.575 1.00 0.00 H new ATOM 968 N LYS A 73 23.256 6.293 11.905 1.00 0.00 N ATOM 969 CA LYS A 73 23.083 7.223 13.014 1.00 0.00 C ATOM 970 C LYS A 73 21.612 7.339 13.403 1.00 0.00 C ATOM 971 O LYS A 73 21.285 7.724 14.526 1.00 0.00 O ATOM 972 CB LYS A 73 23.633 8.601 12.642 1.00 0.00 C ATOM 973 CG LYS A 73 25.134 8.731 12.841 1.00 0.00 C ATOM 974 CD LYS A 73 25.899 8.323 11.594 1.00 0.00 C ATOM 975 CE LYS A 73 27.387 8.604 11.737 1.00 0.00 C ATOM 976 NZ LYS A 73 27.970 7.920 12.924 1.00 0.00 N ATOM 0 H LYS A 73 23.436 6.739 11.006 1.00 0.00 H new ATOM 0 HA LYS A 73 23.637 6.836 13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 73 23.394 8.809 11.599 1.00 0.00 H new ATOM 0 HB3 LYS A 73 23.128 9.358 13.242 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.380 9.761 13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.446 8.109 13.680 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.745 7.261 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.507 8.863 10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.907 8.275 10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.547 9.679 11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.007 7.995 12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.616 8.370 13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.695 6.917 12.917 1.00 0.00 H new ATOM 990 N CYS A 74 20.730 7.003 12.468 1.00 0.00 N ATOM 991 CA CYS A 74 19.294 7.069 12.712 1.00 0.00 C ATOM 992 C CYS A 74 18.804 5.807 13.416 1.00 0.00 C ATOM 993 O CYS A 74 17.612 5.653 13.680 1.00 0.00 O ATOM 994 CB CYS A 74 18.540 7.256 11.394 1.00 0.00 C ATOM 995 SG CYS A 74 18.387 8.993 10.865 1.00 0.00 S ATOM 0 H CYS A 74 20.985 6.682 11.534 1.00 0.00 H new ATOM 0 HA CYS A 74 19.099 7.924 13.359 1.00 0.00 H new ATOM 0 HB2 CYS A 74 19.050 6.693 10.613 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.542 6.829 11.495 1.00 0.00 H new ATOM 1000 N GLY A 75 19.734 4.905 13.717 1.00 0.00 N ATOM 1001 CA GLY A 75 19.377 3.668 14.388 1.00 0.00 C ATOM 1002 C GLY A 75 18.556 2.747 13.508 1.00 0.00 C ATOM 1003 O GLY A 75 17.777 1.934 14.005 1.00 0.00 O ATOM 0 H GLY A 75 20.727 5.009 13.508 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.285 3.153 14.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.814 3.898 15.292 1.00 0.00 H new ATOM 1007 N VAL A 76 18.729 2.875 12.196 1.00 0.00 N ATOM 1008 CA VAL A 76 17.998 2.047 11.245 1.00 0.00 C ATOM 1009 C VAL A 76 18.855 1.722 10.026 1.00 0.00 C ATOM 1010 O VAL A 76 18.779 2.400 9.003 1.00 0.00 O ATOM 1011 CB VAL A 76 16.704 2.739 10.778 1.00 0.00 C ATOM 1012 CG1 VAL A 76 16.996 4.156 10.306 1.00 0.00 C ATOM 1013 CG2 VAL A 76 16.034 1.930 9.678 1.00 0.00 C ATOM 0 H VAL A 76 19.369 3.544 11.768 1.00 0.00 H new ATOM 0 HA VAL A 76 17.742 1.122 11.762 1.00 0.00 H new ATOM 0 HB VAL A 76 16.019 2.797 11.624 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.070 4.629 9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 76 17.428 4.731 11.125 1.00 0.00 H new ATOM 0 HG13 VAL A 76 17.700 4.125 9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 76 15.121 2.434 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 76 16.712 1.838 8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.788 0.937 10.055 1.00 0.00 H new ATOM 1023 N ASN A 77 19.671 0.680 10.145 1.00 0.00 N ATOM 1024 CA ASN A 77 20.544 0.264 9.053 1.00 0.00 C ATOM 1025 C ASN A 77 19.839 -0.741 8.146 1.00 0.00 C ATOM 1026 O ASN A 77 19.048 -1.562 8.610 1.00 0.00 O ATOM 1027 CB ASN A 77 21.832 -0.348 9.607 1.00 0.00 C ATOM 1028 CG ASN A 77 21.567 -1.357 10.706 1.00 0.00 C ATOM 1029 OD1 ASN A 77 20.513 -1.993 10.740 1.00 0.00 O ATOM 1030 ND2 ASN A 77 22.525 -1.509 11.614 1.00 0.00 N ATOM 0 H ASN A 77 19.746 0.108 10.986 1.00 0.00 H new ATOM 0 HA ASN A 77 20.793 1.146 8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 77 22.378 -0.832 8.797 1.00 0.00 H new ATOM 0 HB3 ASN A 77 22.471 0.446 9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 77 22.403 -2.174 12.378 1.00 0.00 H new ATOM 0 HD22 ASN A 77 23.383 -0.961 11.547 1.00 0.00 H new ATOM 1037 N ILE A 78 20.133 -0.670 6.853 1.00 0.00 N ATOM 1038 CA ILE A 78 19.530 -1.574 5.882 1.00 0.00 C ATOM 1039 C ILE A 78 20.567 -2.531 5.303 1.00 0.00 C ATOM 1040 O ILE A 78 21.767 -2.256 5.297 1.00 0.00 O ATOM 1041 CB ILE A 78 18.864 -0.799 4.729 1.00 0.00 C ATOM 1042 CG1 ILE A 78 19.793 0.307 4.225 1.00 0.00 C ATOM 1043 CG2 ILE A 78 17.534 -0.216 5.182 1.00 0.00 C ATOM 1044 CD1 ILE A 78 19.615 1.623 4.951 1.00 0.00 C ATOM 0 H ILE A 78 20.785 0.004 6.453 1.00 0.00 H new ATOM 0 HA ILE A 78 18.769 -2.145 6.413 1.00 0.00 H new ATOM 0 HB ILE A 78 18.675 -1.490 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 78 20.827 -0.021 4.332 1.00 0.00 H new ATOM 0 HG13 ILE A 78 19.617 0.462 3.161 1.00 0.00 H new ATOM 0 HG21 ILE A 78 17.075 0.329 4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 78 16.872 -1.022 5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 78 17.700 0.464 6.017 1.00 0.00 H new ATOM 0 HD11 ILE A 78 20.305 2.361 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 78 18.591 1.974 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 78 19.820 1.484 6.012 1.00 0.00 H new ATOM 1056 N PRO A 79 20.095 -3.683 4.804 1.00 0.00 N ATOM 1057 CA PRO A 79 20.964 -4.704 4.211 1.00 0.00 C ATOM 1058 C PRO A 79 21.560 -4.257 2.881 1.00 0.00 C ATOM 1059 O PRO A 79 22.522 -4.848 2.390 1.00 0.00 O ATOM 1060 CB PRO A 79 20.024 -5.893 4.003 1.00 0.00 C ATOM 1061 CG PRO A 79 18.667 -5.288 3.887 1.00 0.00 C ATOM 1062 CD PRO A 79 18.676 -4.077 4.778 1.00 0.00 C ATOM 0 HA PRO A 79 21.822 -4.927 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 79 20.286 -6.452 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 79 20.076 -6.590 4.839 1.00 0.00 H new ATOM 0 HG2 PRO A 79 18.450 -5.012 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 79 17.897 -5.995 4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 79 18.045 -3.281 4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 79 18.305 -4.310 5.776 1.00 0.00 H new ATOM 1070 N TYR A 80 20.982 -3.210 2.301 1.00 0.00 N ATOM 1071 CA TYR A 80 21.455 -2.685 1.026 1.00 0.00 C ATOM 1072 C TYR A 80 22.015 -1.275 1.191 1.00 0.00 C ATOM 1073 O TYR A 80 21.813 -0.631 2.220 1.00 0.00 O ATOM 1074 CB TYR A 80 20.320 -2.679 0.000 1.00 0.00 C ATOM 1075 CG TYR A 80 19.125 -1.857 0.426 1.00 0.00 C ATOM 1076 CD1 TYR A 80 18.166 -2.382 1.283 1.00 0.00 C ATOM 1077 CD2 TYR A 80 18.954 -0.556 -0.029 1.00 0.00 C ATOM 1078 CE1 TYR A 80 17.071 -1.635 1.674 1.00 0.00 C ATOM 1079 CE2 TYR A 80 17.864 0.199 0.357 1.00 0.00 C ATOM 1080 CZ TYR A 80 16.925 -0.345 1.208 1.00 0.00 C ATOM 1081 OH TYR A 80 15.837 0.403 1.596 1.00 0.00 O ATOM 0 H TYR A 80 20.185 -2.709 2.694 1.00 0.00 H new ATOM 0 HA TYR A 80 22.255 -3.334 0.669 1.00 0.00 H new ATOM 0 HB2 TYR A 80 20.698 -2.292 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 80 19.999 -3.705 -0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 80 18.278 -3.391 1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 80 19.687 -0.127 -0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 80 16.334 -2.059 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 80 17.748 1.210 -0.005 1.00 0.00 H new ATOM 0 HH TYR A 80 15.884 1.289 1.180 1.00 0.00 H new ATOM 1091 N LYS A 81 22.718 -0.802 0.168 1.00 0.00 N ATOM 1092 CA LYS A 81 23.306 0.532 0.196 1.00 0.00 C ATOM 1093 C LYS A 81 22.474 1.511 -0.627 1.00 0.00 C ATOM 1094 O LYS A 81 21.525 1.116 -1.305 1.00 0.00 O ATOM 1095 CB LYS A 81 24.740 0.491 -0.338 1.00 0.00 C ATOM 1096 CG LYS A 81 25.648 1.543 0.275 1.00 0.00 C ATOM 1097 CD LYS A 81 26.890 0.918 0.889 1.00 0.00 C ATOM 1098 CE LYS A 81 28.065 1.884 0.873 1.00 0.00 C ATOM 1099 NZ LYS A 81 29.214 1.372 1.669 1.00 0.00 N ATOM 0 H LYS A 81 22.895 -1.323 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 81 23.319 0.874 1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 81 25.161 -0.496 -0.148 1.00 0.00 H new ATOM 0 HB3 LYS A 81 24.720 0.626 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 81 25.941 2.262 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 81 25.102 2.096 1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 81 26.678 0.618 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 81 27.153 0.014 0.340 1.00 0.00 H new ATOM 0 HE2 LYS A 81 28.382 2.053 -0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 81 27.748 2.848 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.994 2.059 1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 28.918 1.235 2.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 29.533 0.464 1.274 1.00 0.00 H new ATOM 1113 N ILE A 82 22.837 2.788 -0.564 1.00 0.00 N ATOM 1114 CA ILE A 82 22.125 3.821 -1.305 1.00 0.00 C ATOM 1115 C ILE A 82 23.059 4.555 -2.261 1.00 0.00 C ATOM 1116 O ILE A 82 23.776 5.472 -1.862 1.00 0.00 O ATOM 1117 CB ILE A 82 21.471 4.844 -0.357 1.00 0.00 C ATOM 1118 CG1 ILE A 82 20.500 4.143 0.595 1.00 0.00 C ATOM 1119 CG2 ILE A 82 20.753 5.922 -1.156 1.00 0.00 C ATOM 1120 CD1 ILE A 82 21.160 3.611 1.847 1.00 0.00 C ATOM 0 H ILE A 82 23.620 3.131 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 82 21.346 3.318 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 82 22.252 5.318 0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 82 19.713 4.842 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 82 20.020 3.318 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 82 20.296 6.638 -0.473 1.00 0.00 H new ATOM 0 HG22 ILE A 82 21.469 6.438 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 82 19.980 5.464 -1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 82 20.412 3.127 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 82 21.928 2.887 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 82 21.616 4.435 2.396 1.00 0.00 H new ATOM 1132 N SER A 83 23.044 4.145 -3.525 1.00 0.00 N ATOM 1133 CA SER A 83 23.892 4.762 -4.539 1.00 0.00 C ATOM 1134 C SER A 83 23.232 4.695 -5.913 1.00 0.00 C ATOM 1135 O SER A 83 22.353 3.867 -6.154 1.00 0.00 O ATOM 1136 CB SER A 83 25.257 4.071 -4.582 1.00 0.00 C ATOM 1137 OG SER A 83 25.813 4.122 -5.884 1.00 0.00 O ATOM 0 H SER A 83 22.454 3.388 -3.872 1.00 0.00 H new ATOM 0 HA SER A 83 24.031 5.810 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.934 4.551 -3.875 1.00 0.00 H new ATOM 0 HB3 SER A 83 25.152 3.032 -4.268 1.00 0.00 H new ATOM 0 HG SER A 83 26.120 3.228 -6.144 1.00 0.00 H new ATOM 1143 N THR A 84 23.663 5.574 -6.812 1.00 0.00 N ATOM 1144 CA THR A 84 23.115 5.618 -8.162 1.00 0.00 C ATOM 1145 C THR A 84 23.493 4.368 -8.949 1.00 0.00 C ATOM 1146 O THR A 84 22.940 4.103 -10.018 1.00 0.00 O ATOM 1147 CB THR A 84 23.604 6.861 -8.928 1.00 0.00 C ATOM 1148 OG1 THR A 84 24.957 7.159 -8.564 1.00 0.00 O ATOM 1149 CG2 THR A 84 22.718 8.062 -8.633 1.00 0.00 C ATOM 0 H THR A 84 24.390 6.265 -6.629 1.00 0.00 H new ATOM 0 HA THR A 84 22.031 5.667 -8.061 1.00 0.00 H new ATOM 0 HB THR A 84 23.554 6.646 -9.995 1.00 0.00 H new ATOM 0 HG1 THR A 84 25.262 7.950 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 84 23.083 8.928 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.695 7.843 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 84 22.741 8.277 -7.565 1.00 0.00 H new ATOM 1157 N THR A 85 24.439 3.601 -8.416 1.00 0.00 N ATOM 1158 CA THR A 85 24.891 2.380 -9.069 1.00 0.00 C ATOM 1159 C THR A 85 24.519 1.149 -8.251 1.00 0.00 C ATOM 1160 O THR A 85 25.155 0.100 -8.362 1.00 0.00 O ATOM 1161 CB THR A 85 26.415 2.393 -9.291 1.00 0.00 C ATOM 1162 OG1 THR A 85 27.094 2.341 -8.031 1.00 0.00 O ATOM 1163 CG2 THR A 85 26.841 3.640 -10.050 1.00 0.00 C ATOM 0 H THR A 85 24.907 3.805 -7.533 1.00 0.00 H new ATOM 0 HA THR A 85 24.390 2.335 -10.036 1.00 0.00 H new ATOM 0 HB THR A 85 26.681 1.518 -9.884 1.00 0.00 H new ATOM 0 HG1 THR A 85 28.062 2.348 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 85 27.921 3.627 -10.195 1.00 0.00 H new ATOM 0 HG22 THR A 85 26.345 3.662 -11.020 1.00 0.00 H new ATOM 0 HG23 THR A 85 26.562 4.526 -9.480 1.00 0.00 H new ATOM 1171 N THR A 86 23.482 1.281 -7.429 1.00 0.00 N ATOM 1172 CA THR A 86 23.025 0.179 -6.591 1.00 0.00 C ATOM 1173 C THR A 86 21.755 -0.448 -7.153 1.00 0.00 C ATOM 1174 O THR A 86 20.889 0.248 -7.681 1.00 0.00 O ATOM 1175 CB THR A 86 22.759 0.644 -5.147 1.00 0.00 C ATOM 1176 OG1 THR A 86 23.984 1.058 -4.532 1.00 0.00 O ATOM 1177 CG2 THR A 86 22.125 -0.470 -4.328 1.00 0.00 C ATOM 0 H THR A 86 22.943 2.141 -7.326 1.00 0.00 H new ATOM 0 HA THR A 86 23.822 -0.565 -6.584 1.00 0.00 H new ATOM 0 HB THR A 86 22.068 1.486 -5.181 1.00 0.00 H new ATOM 0 HG1 THR A 86 23.806 1.354 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 86 21.946 -0.118 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 86 21.178 -0.762 -4.782 1.00 0.00 H new ATOM 0 HG23 THR A 86 22.795 -1.329 -4.302 1.00 0.00 H new ATOM 1185 N ASN A 87 21.650 -1.768 -7.036 1.00 0.00 N ATOM 1186 CA ASN A 87 20.484 -2.489 -7.533 1.00 0.00 C ATOM 1187 C ASN A 87 19.763 -3.208 -6.396 1.00 0.00 C ATOM 1188 O ASN A 87 20.226 -4.238 -5.905 1.00 0.00 O ATOM 1189 CB ASN A 87 20.901 -3.498 -8.605 1.00 0.00 C ATOM 1190 CG ASN A 87 19.713 -4.212 -9.220 1.00 0.00 C ATOM 1191 OD1 ASN A 87 18.574 -4.025 -8.794 1.00 0.00 O ATOM 1192 ND2 ASN A 87 19.976 -5.037 -10.228 1.00 0.00 N ATOM 0 H ASN A 87 22.358 -2.360 -6.601 1.00 0.00 H new ATOM 0 HA ASN A 87 19.800 -1.763 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 87 21.457 -2.983 -9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 87 21.576 -4.233 -8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 87 19.217 -5.546 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 87 20.936 -5.161 -10.548 1.00 0.00 H new ATOM 1199 N CYS A 88 18.627 -2.657 -5.982 1.00 0.00 N ATOM 1200 CA CYS A 88 17.841 -3.244 -4.904 1.00 0.00 C ATOM 1201 C CYS A 88 17.135 -4.513 -5.373 1.00 0.00 C ATOM 1202 O CYS A 88 16.804 -5.384 -4.570 1.00 0.00 O ATOM 1203 CB CYS A 88 16.812 -2.236 -4.388 1.00 0.00 C ATOM 1204 SG CYS A 88 17.416 -1.188 -3.025 1.00 0.00 S ATOM 0 H CYS A 88 18.230 -1.804 -6.377 1.00 0.00 H new ATOM 0 HA CYS A 88 18.521 -3.507 -4.094 1.00 0.00 H new ATOM 0 HB2 CYS A 88 16.501 -1.596 -5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 88 15.927 -2.776 -4.052 1.00 0.00 H new