USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 603 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 52 SER OG : rot -97:sc= 0.773 USER MOD Set 1.2: A 55 SER OG : rot 44:sc= 1.07 USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot -1:sc= 0.393 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 86:sc= -0.0502 USER MOD Single : A 6 ASN : amide:sc= -20.1! C(o=-20!,f=-27!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.861! USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 9 SER OG : rot 132:sc= -3.64! USER MOD Single : A 10 GLN : amide:sc= -0.0372 X(o=-0.037,f=-0.17) USER MOD Single : A 12 SER OG : rot -74:sc= -1.74! USER MOD Single : A 14 ASN :FLIP amide:sc= -1.26 F(o=-3.3!,f=-1.3) USER MOD Single : A 15 SER OG : rot 63:sc= -5.21! USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= -0.0545 (180deg=-0.471) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0976) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00395 USER MOD Single : A 21 THR OG1 : rot -59:sc= 0.407 USER MOD Single : A 23 THR OG1 : rot 9:sc= 1.15 USER MOD Single : A 24 ASN :FLIP amide:sc=-0.00489 F(o=-0.82,f=-0.0049) USER MOD Single : A 26 TYR OH : rot -9:sc= 0.00634 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 110:sc= -3.97! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 56:sc= -0.916! USER MOD Single : A 36 THR OG1 : rot -170:sc= 0 USER MOD Single : A 38 THR OG1 : rot -130:sc=-0.00973 USER MOD Single : A 40 SER OG : rot -7:sc= 0.519 USER MOD Single : A 46 THR OG1 : rot -8:sc= 0.694 USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 94:sc= 1.35 USER MOD Single : A 51 THR OG1 : rot -170:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -4.5! USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 0.00121 (180deg=0) USER MOD Single : A 65 SER OG : rot -41:sc= 0.914! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -48:sc= -2.01 USER MOD Single : A 81 LYS NZ :NH3+ -159:sc= -8.93! (180deg=-9.58!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.366 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -7.93! C(o=-7.9!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 48.425 4.779 2.330 1.00 0.00 N ATOM 2 CA ASP A 1 47.644 6.005 2.665 1.00 0.00 C ATOM 3 C ASP A 1 46.327 6.022 1.885 1.00 0.00 C ATOM 4 O ASP A 1 45.256 5.974 2.456 1.00 0.00 O ATOM 5 CB ASP A 1 48.537 7.172 2.241 1.00 0.00 C ATOM 6 CG ASP A 1 47.727 8.470 2.255 1.00 0.00 C ATOM 7 OD1 ASP A 1 46.943 8.665 1.341 1.00 0.00 O ATOM 8 OD2 ASP A 1 47.905 9.246 3.180 1.00 0.00 O ATOM 0 H1 ASP A 1 49.317 4.778 2.865 1.00 0.00 H new ATOM 0 H2 ASP A 1 47.871 3.935 2.580 1.00 0.00 H new ATOM 0 H3 ASP A 1 48.633 4.767 1.311 1.00 0.00 H new ATOM 0 HA ASP A 1 47.386 6.055 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 1 49.388 7.256 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 1 48.938 6.992 1.243 1.00 0.00 H new ATOM 15 N GLY A 2 46.398 6.092 0.583 1.00 0.00 N ATOM 16 CA GLY A 2 45.148 6.113 -0.230 1.00 0.00 C ATOM 17 C GLY A 2 45.152 4.940 -1.211 1.00 0.00 C ATOM 18 O GLY A 2 44.532 3.922 -0.979 1.00 0.00 O ATOM 0 H GLY A 2 47.265 6.135 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 2 44.277 6.051 0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 2 45.072 7.054 -0.774 1.00 0.00 H new ATOM 22 N SER A 3 45.846 5.074 -2.307 1.00 0.00 N ATOM 23 CA SER A 3 45.888 3.966 -3.304 1.00 0.00 C ATOM 24 C SER A 3 47.063 4.166 -4.265 1.00 0.00 C ATOM 25 O SER A 3 46.921 4.059 -5.466 1.00 0.00 O ATOM 26 CB SER A 3 44.559 4.060 -4.054 1.00 0.00 C ATOM 27 OG SER A 3 44.304 5.418 -4.387 1.00 0.00 O ATOM 0 H SER A 3 46.386 5.903 -2.556 1.00 0.00 H new ATOM 0 HA SER A 3 46.023 2.991 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 44.594 3.452 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 43.751 3.667 -3.437 1.00 0.00 H new ATOM 0 HG SER A 3 43.453 5.482 -4.870 1.00 0.00 H new ATOM 33 N CYS A 4 48.222 4.458 -3.743 1.00 0.00 N ATOM 34 CA CYS A 4 49.406 4.669 -4.623 1.00 0.00 C ATOM 35 C CYS A 4 49.558 3.500 -5.599 1.00 0.00 C ATOM 36 O CYS A 4 49.706 3.692 -6.788 1.00 0.00 O ATOM 37 CB CYS A 4 50.601 4.733 -3.672 1.00 0.00 C ATOM 38 SG CYS A 4 51.623 6.168 -4.087 1.00 0.00 S ATOM 0 H CYS A 4 48.401 4.560 -2.744 1.00 0.00 H new ATOM 0 HA CYS A 4 49.315 5.573 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 4 50.256 4.805 -2.641 1.00 0.00 H new ATOM 0 HB3 CYS A 4 51.190 3.819 -3.748 1.00 0.00 H new ATOM 43 N THR A 5 49.540 2.289 -5.102 1.00 0.00 N ATOM 44 CA THR A 5 49.698 1.099 -5.988 1.00 0.00 C ATOM 45 C THR A 5 51.148 0.990 -6.450 1.00 0.00 C ATOM 46 O THR A 5 51.506 0.090 -7.183 1.00 0.00 O ATOM 47 CB THR A 5 48.770 1.329 -7.188 1.00 0.00 C ATOM 48 OG1 THR A 5 47.528 1.851 -6.735 1.00 0.00 O ATOM 49 CG2 THR A 5 48.536 -0.002 -7.914 1.00 0.00 C ATOM 0 H THR A 5 49.422 2.074 -4.112 1.00 0.00 H new ATOM 0 HA THR A 5 49.445 0.174 -5.470 1.00 0.00 H new ATOM 0 HB THR A 5 49.231 2.040 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 5 47.589 2.827 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 5 47.877 0.160 -8.767 1.00 0.00 H new ATOM 0 HG22 THR A 5 49.489 -0.399 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 5 48.075 -0.714 -7.229 1.00 0.00 H new ATOM 57 N ASN A 6 51.992 1.895 -6.026 1.00 0.00 N ATOM 58 CA ASN A 6 53.413 1.821 -6.453 1.00 0.00 C ATOM 59 C ASN A 6 53.452 1.545 -7.961 1.00 0.00 C ATOM 60 O ASN A 6 54.316 0.859 -8.468 1.00 0.00 O ATOM 61 CB ASN A 6 53.979 0.646 -5.641 1.00 0.00 C ATOM 62 CG ASN A 6 55.285 0.159 -6.256 1.00 0.00 C ATOM 63 OD1 ASN A 6 55.288 -0.722 -7.094 1.00 0.00 O ATOM 64 ND2 ASN A 6 56.405 0.689 -5.861 1.00 0.00 N ATOM 0 H ASN A 6 51.758 2.673 -5.409 1.00 0.00 H new ATOM 0 HA ASN A 6 53.986 2.732 -6.283 1.00 0.00 H new ATOM 0 HB2 ASN A 6 54.148 0.956 -4.610 1.00 0.00 H new ATOM 0 HB3 ASN A 6 53.255 -0.169 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 6 57.289 0.366 -6.254 1.00 0.00 H new ATOM 0 HD22 ASN A 6 56.400 1.428 -5.158 1.00 0.00 H new ATOM 71 N THR A 7 52.492 2.061 -8.682 1.00 0.00 N ATOM 72 CA THR A 7 52.443 1.804 -10.146 1.00 0.00 C ATOM 73 C THR A 7 52.092 0.333 -10.362 1.00 0.00 C ATOM 74 O THR A 7 52.919 -0.461 -10.766 1.00 0.00 O ATOM 75 CB THR A 7 53.848 2.114 -10.668 1.00 0.00 C ATOM 76 OG1 THR A 7 54.445 3.106 -9.845 1.00 0.00 O ATOM 77 CG2 THR A 7 53.760 2.630 -12.107 1.00 0.00 C ATOM 0 H THR A 7 51.742 2.648 -8.318 1.00 0.00 H new ATOM 0 HA THR A 7 51.699 2.410 -10.664 1.00 0.00 H new ATOM 0 HB THR A 7 54.452 1.207 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 7 55.346 3.306 -10.175 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.762 2.850 -12.477 1.00 0.00 H new ATOM 0 HG22 THR A 7 53.299 1.870 -12.738 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.157 3.537 -12.132 1.00 0.00 H new ATOM 85 N ASN A 8 50.876 -0.037 -10.064 1.00 0.00 N ATOM 86 CA ASN A 8 50.465 -1.461 -10.221 1.00 0.00 C ATOM 87 C ASN A 8 51.212 -2.330 -9.204 1.00 0.00 C ATOM 88 O ASN A 8 52.313 -2.779 -9.450 1.00 0.00 O ATOM 89 CB ASN A 8 50.863 -1.847 -11.642 1.00 0.00 C ATOM 90 CG ASN A 8 49.607 -2.115 -12.470 1.00 0.00 C ATOM 91 OD1 ASN A 8 48.847 -3.015 -12.170 1.00 0.00 O ATOM 92 ND2 ASN A 8 49.351 -1.366 -13.507 1.00 0.00 N ATOM 0 H ASN A 8 50.148 0.588 -9.718 1.00 0.00 H new ATOM 0 HA ASN A 8 49.397 -1.602 -10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 8 51.447 -1.047 -12.097 1.00 0.00 H new ATOM 0 HB3 ASN A 8 51.496 -2.734 -11.625 1.00 0.00 H new ATOM 0 HD21 ASN A 8 48.514 -1.536 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 8 49.988 -0.610 -13.760 1.00 0.00 H new ATOM 99 N SER A 9 50.626 -2.564 -8.060 1.00 0.00 N ATOM 100 CA SER A 9 51.315 -3.397 -7.031 1.00 0.00 C ATOM 101 C SER A 9 50.337 -3.789 -5.919 1.00 0.00 C ATOM 102 O SER A 9 49.194 -4.117 -6.173 1.00 0.00 O ATOM 103 CB SER A 9 52.415 -2.495 -6.477 1.00 0.00 C ATOM 104 OG SER A 9 51.879 -1.697 -5.431 1.00 0.00 O ATOM 0 H SER A 9 49.705 -2.216 -7.794 1.00 0.00 H new ATOM 0 HA SER A 9 51.709 -4.325 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 9 53.243 -3.098 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 9 52.814 -1.860 -7.268 1.00 0.00 H new ATOM 0 HG SER A 9 52.475 -1.733 -4.654 1.00 0.00 H new ATOM 110 N GLN A 10 50.774 -3.757 -4.688 1.00 0.00 N ATOM 111 CA GLN A 10 49.866 -4.127 -3.566 1.00 0.00 C ATOM 112 C GLN A 10 49.832 -3.007 -2.524 1.00 0.00 C ATOM 113 O GLN A 10 48.780 -2.610 -2.062 1.00 0.00 O ATOM 114 CB GLN A 10 50.472 -5.395 -2.966 1.00 0.00 C ATOM 115 CG GLN A 10 49.578 -6.593 -3.289 1.00 0.00 C ATOM 116 CD GLN A 10 50.086 -7.281 -4.559 1.00 0.00 C ATOM 117 OE1 GLN A 10 49.891 -6.788 -5.651 1.00 0.00 O ATOM 118 NE2 GLN A 10 50.736 -8.408 -4.458 1.00 0.00 N ATOM 0 H GLN A 10 51.719 -3.491 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 10 48.840 -4.284 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 10 51.473 -5.557 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 10 50.575 -5.286 -1.886 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.579 -7.296 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.548 -6.265 -3.428 1.00 0.00 H new ATOM 0 HE21 GLN A 10 50.900 -8.822 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 10 51.080 -8.875 -5.297 1.00 0.00 H new ATOM 127 N LEU A 11 50.975 -2.496 -2.150 1.00 0.00 N ATOM 128 CA LEU A 11 51.010 -1.403 -1.134 1.00 0.00 C ATOM 129 C LEU A 11 50.005 -1.696 -0.020 1.00 0.00 C ATOM 130 O LEU A 11 48.883 -1.231 -0.043 1.00 0.00 O ATOM 131 CB LEU A 11 50.620 -0.136 -1.898 1.00 0.00 C ATOM 132 CG LEU A 11 50.932 1.098 -1.048 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.339 0.980 -0.460 1.00 0.00 C ATOM 134 CD2 LEU A 11 50.851 2.350 -1.926 1.00 0.00 C ATOM 0 H LEU A 11 51.886 -2.788 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 11 51.988 -1.303 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.165 -0.087 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.558 -0.161 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 11 50.208 1.170 -0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 11 52.556 1.861 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.399 0.088 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.066 0.906 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.073 3.231 -1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.575 2.273 -2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 11 49.848 2.438 -2.343 1.00 0.00 H new ATOM 146 N SER A 12 50.396 -2.470 0.954 1.00 0.00 N ATOM 147 CA SER A 12 49.458 -2.798 2.063 1.00 0.00 C ATOM 148 C SER A 12 48.740 -1.533 2.539 1.00 0.00 C ATOM 149 O SER A 12 49.139 -0.428 2.232 1.00 0.00 O ATOM 150 CB SER A 12 50.336 -3.367 3.174 1.00 0.00 C ATOM 151 OG SER A 12 51.270 -2.378 3.585 1.00 0.00 O ATOM 0 H SER A 12 51.323 -2.889 1.030 1.00 0.00 H new ATOM 0 HA SER A 12 48.687 -3.504 1.755 1.00 0.00 H new ATOM 0 HB2 SER A 12 49.720 -3.676 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 12 50.860 -4.255 2.821 1.00 0.00 H new ATOM 0 HG SER A 12 51.967 -2.283 2.903 1.00 0.00 H new ATOM 157 N ALA A 13 47.683 -1.689 3.285 1.00 0.00 N ATOM 158 CA ALA A 13 46.938 -0.498 3.778 1.00 0.00 C ATOM 159 C ALA A 13 47.716 0.186 4.905 1.00 0.00 C ATOM 160 O ALA A 13 47.422 1.303 5.284 1.00 0.00 O ATOM 161 CB ALA A 13 45.612 -1.050 4.300 1.00 0.00 C ATOM 0 H ALA A 13 47.303 -2.590 3.575 1.00 0.00 H new ATOM 0 HA ALA A 13 46.791 0.249 2.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.003 -0.231 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.081 -1.549 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.805 -1.764 5.101 1.00 0.00 H new ATOM 167 N ASN A 14 48.701 -0.474 5.449 1.00 0.00 N ATOM 168 CA ASN A 14 49.487 0.145 6.554 1.00 0.00 C ATOM 169 C ASN A 14 50.730 0.847 6.000 1.00 0.00 C ATOM 170 O ASN A 14 51.442 1.520 6.718 1.00 0.00 O ATOM 171 CB ASN A 14 49.890 -1.022 7.458 1.00 0.00 C ATOM 172 CG ASN A 14 50.562 -0.476 8.719 1.00 0.00 C ATOM 173 OD1 ASN A 14 51.777 -0.008 8.645 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 49.976 -0.477 9.783 1.00 0.00 N flip ATOM 0 H ASN A 14 48.995 -1.412 5.178 1.00 0.00 H new ATOM 0 HA ASN A 14 48.912 0.900 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.012 -1.610 7.725 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.571 -1.689 6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 14 49.026 -0.843 9.841 1.00 0.00 H new ATOM 0 HD22 ASN A 14 50.434 -0.112 10.618 1.00 0.00 H new ATOM 181 N SER A 15 50.996 0.701 4.729 1.00 0.00 N ATOM 182 CA SER A 15 52.192 1.370 4.144 1.00 0.00 C ATOM 183 C SER A 15 51.934 2.873 4.004 1.00 0.00 C ATOM 184 O SER A 15 50.901 3.374 4.404 1.00 0.00 O ATOM 185 CB SER A 15 52.377 0.723 2.771 1.00 0.00 C ATOM 186 OG SER A 15 53.175 1.571 1.957 1.00 0.00 O ATOM 0 H SER A 15 50.440 0.151 4.075 1.00 0.00 H new ATOM 0 HA SER A 15 53.079 1.256 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.853 -0.252 2.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.408 0.556 2.301 1.00 0.00 H new ATOM 0 HG SER A 15 54.065 1.664 2.356 1.00 0.00 H new ATOM 192 N LYS A 16 52.863 3.597 3.443 1.00 0.00 N ATOM 193 CA LYS A 16 52.667 5.066 3.283 1.00 0.00 C ATOM 194 C LYS A 16 53.243 5.535 1.946 1.00 0.00 C ATOM 195 O LYS A 16 54.362 5.213 1.594 1.00 0.00 O ATOM 196 CB LYS A 16 53.435 5.696 4.447 1.00 0.00 C ATOM 197 CG LYS A 16 53.125 7.192 4.512 1.00 0.00 C ATOM 198 CD LYS A 16 54.428 7.975 4.697 1.00 0.00 C ATOM 199 CE LYS A 16 55.023 8.304 3.327 1.00 0.00 C ATOM 200 NZ LYS A 16 54.192 9.426 2.807 1.00 0.00 N ATOM 0 H LYS A 16 53.749 3.236 3.089 1.00 0.00 H new ATOM 0 HA LYS A 16 51.613 5.345 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.155 5.215 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.506 5.541 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.623 7.510 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.444 7.398 5.338 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.237 8.893 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 16 55.137 7.389 5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 16 56.070 8.594 3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.983 7.442 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.796 9.165 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.417 9.621 3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.782 10.276 2.704 1.00 0.00 H new ATOM 214 N CYS A 17 52.491 6.294 1.197 1.00 0.00 N ATOM 215 CA CYS A 17 53.000 6.781 -0.117 1.00 0.00 C ATOM 216 C CYS A 17 52.609 8.246 -0.327 1.00 0.00 C ATOM 217 O CYS A 17 51.696 8.753 0.295 1.00 0.00 O ATOM 218 CB CYS A 17 52.324 5.889 -1.157 1.00 0.00 C ATOM 219 SG CYS A 17 53.142 6.102 -2.757 1.00 0.00 S ATOM 0 H CYS A 17 51.547 6.598 1.437 1.00 0.00 H new ATOM 0 HA CYS A 17 54.087 6.732 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 17 52.376 4.846 -0.846 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.268 6.145 -1.240 1.00 0.00 H new ATOM 224 N GLU A 18 53.294 8.929 -1.202 1.00 0.00 N ATOM 225 CA GLU A 18 52.966 10.361 -1.456 1.00 0.00 C ATOM 226 C GLU A 18 53.786 10.885 -2.641 1.00 0.00 C ATOM 227 O GLU A 18 53.348 10.843 -3.773 1.00 0.00 O ATOM 228 CB GLU A 18 53.345 11.089 -0.165 1.00 0.00 C ATOM 229 CG GLU A 18 53.093 12.589 -0.331 1.00 0.00 C ATOM 230 CD GLU A 18 53.530 13.323 0.938 1.00 0.00 C ATOM 231 OE1 GLU A 18 53.986 12.661 1.855 1.00 0.00 O ATOM 232 OE2 GLU A 18 53.401 14.536 0.971 1.00 0.00 O ATOM 0 H GLU A 18 54.068 8.557 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 18 51.916 10.511 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 18 52.760 10.701 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 18 54.394 10.910 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 18 53.644 12.968 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 18 52.036 12.772 -0.524 1.00 0.00 H new ATOM 239 N LYS A 19 54.971 11.376 -2.393 1.00 0.00 N ATOM 240 CA LYS A 19 55.809 11.894 -3.514 1.00 0.00 C ATOM 241 C LYS A 19 57.063 11.028 -3.678 1.00 0.00 C ATOM 242 O LYS A 19 58.159 11.439 -3.354 1.00 0.00 O ATOM 243 CB LYS A 19 56.191 13.317 -3.104 1.00 0.00 C ATOM 244 CG LYS A 19 55.224 14.309 -3.752 1.00 0.00 C ATOM 245 CD LYS A 19 56.006 15.508 -4.291 1.00 0.00 C ATOM 246 CE LYS A 19 55.463 15.894 -5.668 1.00 0.00 C ATOM 247 NZ LYS A 19 54.136 16.513 -5.396 1.00 0.00 N ATOM 0 H LYS A 19 55.394 11.441 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 19 55.280 11.875 -4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 19 56.158 13.416 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.213 13.534 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.678 13.824 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.485 14.642 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 19 55.919 16.350 -3.605 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.066 15.262 -4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 19 56.129 16.593 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 19 55.367 15.021 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 53.821 17.042 -6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 53.444 15.768 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 54.215 17.162 -4.587 1.00 0.00 H new ATOM 261 N SER A 20 56.907 9.833 -4.177 1.00 0.00 N ATOM 262 CA SER A 20 58.088 8.941 -4.360 1.00 0.00 C ATOM 263 C SER A 20 58.277 8.611 -5.843 1.00 0.00 C ATOM 264 O SER A 20 57.714 9.249 -6.711 1.00 0.00 O ATOM 265 CB SER A 20 57.758 7.667 -3.577 1.00 0.00 C ATOM 266 OG SER A 20 56.496 7.810 -2.939 1.00 0.00 O ATOM 0 H SER A 20 56.013 9.435 -4.466 1.00 0.00 H new ATOM 0 HA SER A 20 59.009 9.409 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 20 57.741 6.809 -4.250 1.00 0.00 H new ATOM 0 HB3 SER A 20 58.532 7.474 -2.834 1.00 0.00 H new ATOM 0 HG SER A 20 56.287 6.993 -2.440 1.00 0.00 H new ATOM 272 N THR A 21 59.058 7.610 -6.132 1.00 0.00 N ATOM 273 CA THR A 21 59.286 7.211 -7.548 1.00 0.00 C ATOM 274 C THR A 21 59.558 5.712 -7.583 1.00 0.00 C ATOM 275 O THR A 21 60.616 5.267 -7.981 1.00 0.00 O ATOM 276 CB THR A 21 60.518 7.997 -7.996 1.00 0.00 C ATOM 277 OG1 THR A 21 60.865 7.616 -9.320 1.00 0.00 O ATOM 278 CG2 THR A 21 61.683 7.699 -7.052 1.00 0.00 C ATOM 0 H THR A 21 59.553 7.046 -5.442 1.00 0.00 H new ATOM 0 HA THR A 21 58.435 7.417 -8.198 1.00 0.00 H new ATOM 0 HB THR A 21 60.299 9.065 -7.973 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.042 6.653 -9.347 1.00 0.00 H new ATOM 0 HG21 THR A 21 62.562 8.259 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 21 61.414 7.993 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 21 61.905 6.632 -7.074 1.00 0.00 H new ATOM 286 N LEU A 22 58.616 4.931 -7.136 1.00 0.00 N ATOM 287 CA LEU A 22 58.825 3.460 -7.103 1.00 0.00 C ATOM 288 C LEU A 22 58.492 2.817 -8.451 1.00 0.00 C ATOM 289 O LEU A 22 58.254 3.484 -9.439 1.00 0.00 O ATOM 290 CB LEU A 22 57.872 2.941 -6.027 1.00 0.00 C ATOM 291 CG LEU A 22 57.911 3.844 -4.791 1.00 0.00 C ATOM 292 CD1 LEU A 22 57.066 3.212 -3.683 1.00 0.00 C ATOM 293 CD2 LEU A 22 59.352 3.987 -4.300 1.00 0.00 C ATOM 0 H LEU A 22 57.710 5.249 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 22 59.866 3.216 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 22 56.857 2.900 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 22 58.148 1.924 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 22 57.517 4.827 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 22 57.089 3.850 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 22 56.037 3.105 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.469 2.231 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 22 59.375 4.630 -3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 22 59.747 3.005 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 22 59.963 4.428 -5.088 1.00 0.00 H new ATOM 305 N THR A 23 58.478 1.515 -8.482 1.00 0.00 N ATOM 306 CA THR A 23 58.166 0.781 -9.739 1.00 0.00 C ATOM 307 C THR A 23 57.851 -0.679 -9.396 1.00 0.00 C ATOM 308 O THR A 23 58.736 -1.469 -9.135 1.00 0.00 O ATOM 309 CB THR A 23 59.441 0.890 -10.586 1.00 0.00 C ATOM 310 OG1 THR A 23 59.449 2.141 -11.262 1.00 0.00 O ATOM 311 CG2 THR A 23 59.487 -0.243 -11.613 1.00 0.00 C ATOM 0 H THR A 23 58.672 0.919 -7.677 1.00 0.00 H new ATOM 0 HA THR A 23 57.304 1.182 -10.272 1.00 0.00 H new ATOM 0 HB THR A 23 60.312 0.815 -9.935 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.721 2.702 -10.921 1.00 0.00 H new ATOM 0 HG21 THR A 23 60.395 -0.157 -12.209 1.00 0.00 H new ATOM 0 HG22 THR A 23 59.482 -1.203 -11.096 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.617 -0.178 -12.266 1.00 0.00 H new ATOM 319 N ASN A 24 56.594 -1.032 -9.370 1.00 0.00 N ATOM 320 CA ASN A 24 56.215 -2.434 -9.021 1.00 0.00 C ATOM 321 C ASN A 24 56.734 -2.778 -7.619 1.00 0.00 C ATOM 322 O ASN A 24 57.921 -2.757 -7.368 1.00 0.00 O ATOM 323 CB ASN A 24 56.892 -3.315 -10.073 1.00 0.00 C ATOM 324 CG ASN A 24 55.954 -3.487 -11.271 1.00 0.00 C ATOM 325 OD1 ASN A 24 55.060 -2.568 -11.521 1.00 0.00 O flip ATOM 326 ND2 ASN A 24 56.035 -4.466 -11.983 1.00 0.00 N flip ATOM 0 H ASN A 24 55.812 -0.410 -9.575 1.00 0.00 H new ATOM 0 HA ASN A 24 55.135 -2.579 -9.013 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.830 -2.862 -10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.137 -4.288 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 24 56.734 -5.183 -11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.405 -4.572 -12.778 1.00 0.00 H new ATOM 333 N CYS A 25 55.856 -3.093 -6.705 1.00 0.00 N ATOM 334 CA CYS A 25 56.313 -3.434 -5.325 1.00 0.00 C ATOM 335 C CYS A 25 55.146 -3.981 -4.497 1.00 0.00 C ATOM 336 O CYS A 25 54.218 -4.564 -5.019 1.00 0.00 O ATOM 337 CB CYS A 25 56.822 -2.114 -4.736 1.00 0.00 C ATOM 338 SG CYS A 25 58.480 -2.363 -4.044 1.00 0.00 S ATOM 0 H CYS A 25 54.847 -3.129 -6.852 1.00 0.00 H new ATOM 0 HA CYS A 25 57.085 -4.203 -5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 25 56.850 -1.345 -5.508 1.00 0.00 H new ATOM 0 HB3 CYS A 25 56.141 -1.762 -3.961 1.00 0.00 H new ATOM 343 N TYR A 26 55.193 -3.797 -3.209 1.00 0.00 N ATOM 344 CA TYR A 26 54.095 -4.300 -2.334 1.00 0.00 C ATOM 345 C TYR A 26 54.098 -3.506 -1.027 1.00 0.00 C ATOM 346 O TYR A 26 53.071 -3.105 -0.519 1.00 0.00 O ATOM 347 CB TYR A 26 54.435 -5.768 -2.082 1.00 0.00 C ATOM 348 CG TYR A 26 53.451 -6.356 -1.098 1.00 0.00 C ATOM 349 CD1 TYR A 26 53.591 -6.096 0.270 1.00 0.00 C ATOM 350 CD2 TYR A 26 52.403 -7.165 -1.555 1.00 0.00 C ATOM 351 CE1 TYR A 26 52.680 -6.643 1.183 1.00 0.00 C ATOM 352 CE2 TYR A 26 51.494 -7.712 -0.643 1.00 0.00 C ATOM 353 CZ TYR A 26 51.633 -7.452 0.727 1.00 0.00 C ATOM 354 OH TYR A 26 50.738 -7.993 1.627 1.00 0.00 O ATOM 0 H TYR A 26 55.949 -3.317 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 26 53.106 -4.193 -2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 26 54.404 -6.325 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 26 55.449 -5.855 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 26 54.401 -5.474 0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 26 52.297 -7.366 -2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 26 52.786 -6.440 2.239 1.00 0.00 H new ATOM 0 HE2 TYR A 26 50.685 -8.335 -0.995 1.00 0.00 H new ATOM 0 HH TYR A 26 51.056 -7.835 2.540 1.00 0.00 H new ATOM 364 N VAL A 27 55.264 -3.264 -0.503 1.00 0.00 N ATOM 365 CA VAL A 27 55.392 -2.477 0.756 1.00 0.00 C ATOM 366 C VAL A 27 54.292 -2.817 1.764 1.00 0.00 C ATOM 367 O VAL A 27 53.182 -2.331 1.675 1.00 0.00 O ATOM 368 CB VAL A 27 55.262 -1.021 0.324 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.710 -0.116 1.475 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.140 -0.772 -0.909 1.00 0.00 C ATOM 0 H VAL A 27 56.149 -3.582 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 27 56.337 -2.694 1.254 1.00 0.00 H new ATOM 0 HB VAL A 27 54.225 -0.801 0.071 1.00 0.00 H new ATOM 0 HG11 VAL A 27 55.620 0.928 1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.081 -0.298 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.748 -0.333 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.047 0.269 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.180 -0.986 -0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.818 -1.422 -1.723 1.00 0.00 H new ATOM 380 N ASP A 28 54.603 -3.616 2.747 1.00 0.00 N ATOM 381 CA ASP A 28 53.586 -3.946 3.784 1.00 0.00 C ATOM 382 C ASP A 28 53.668 -2.893 4.897 1.00 0.00 C ATOM 383 O ASP A 28 53.690 -1.708 4.629 1.00 0.00 O ATOM 384 CB ASP A 28 53.977 -5.329 4.305 1.00 0.00 C ATOM 385 CG ASP A 28 52.734 -6.041 4.842 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.125 -5.517 5.759 1.00 0.00 O ATOM 387 OD2 ASP A 28 52.412 -7.099 4.326 1.00 0.00 O ATOM 0 H ASP A 28 55.515 -4.054 2.877 1.00 0.00 H new ATOM 0 HA ASP A 28 52.565 -3.949 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 28 54.429 -5.916 3.506 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.724 -5.235 5.093 1.00 0.00 H new ATOM 392 N LYS A 29 53.737 -3.299 6.135 1.00 0.00 N ATOM 393 CA LYS A 29 53.846 -2.292 7.230 1.00 0.00 C ATOM 394 C LYS A 29 55.145 -1.506 7.058 1.00 0.00 C ATOM 395 O LYS A 29 56.145 -1.804 7.676 1.00 0.00 O ATOM 396 CB LYS A 29 53.884 -3.110 8.521 1.00 0.00 C ATOM 397 CG LYS A 29 52.482 -3.171 9.128 1.00 0.00 C ATOM 398 CD LYS A 29 52.278 -4.523 9.813 1.00 0.00 C ATOM 399 CE LYS A 29 51.285 -4.363 10.965 1.00 0.00 C ATOM 400 NZ LYS A 29 49.943 -4.521 10.339 1.00 0.00 N ATOM 0 H LYS A 29 53.723 -4.274 6.435 1.00 0.00 H new ATOM 0 HA LYS A 29 53.023 -1.578 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.247 -4.117 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 29 54.579 -2.659 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.351 -2.364 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 29 51.732 -3.029 8.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 51.905 -5.254 9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 29 53.229 -4.901 10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 29 51.452 -5.114 11.737 1.00 0.00 H new ATOM 0 HE3 LYS A 29 51.386 -3.388 11.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 49.207 -4.424 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 49.810 -3.789 9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 49.873 -5.461 9.899 1.00 0.00 H new ATOM 414 N SER A 30 55.152 -0.516 6.210 1.00 0.00 N ATOM 415 CA SER A 30 56.409 0.256 6.001 1.00 0.00 C ATOM 416 C SER A 30 56.113 1.715 5.648 1.00 0.00 C ATOM 417 O SER A 30 55.038 2.056 5.195 1.00 0.00 O ATOM 418 CB SER A 30 57.099 -0.445 4.833 1.00 0.00 C ATOM 419 OG SER A 30 57.696 -1.650 5.295 1.00 0.00 O ATOM 0 H SER A 30 54.351 -0.210 5.658 1.00 0.00 H new ATOM 0 HA SER A 30 57.024 0.281 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.377 -0.662 4.046 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.857 0.207 4.399 1.00 0.00 H new ATOM 0 HG SER A 30 57.204 -2.418 4.936 1.00 0.00 H new ATOM 425 N GLU A 31 57.078 2.570 5.843 1.00 0.00 N ATOM 426 CA GLU A 31 56.891 4.011 5.511 1.00 0.00 C ATOM 427 C GLU A 31 57.910 4.411 4.446 1.00 0.00 C ATOM 428 O GLU A 31 59.104 4.366 4.669 1.00 0.00 O ATOM 429 CB GLU A 31 57.150 4.763 6.817 1.00 0.00 C ATOM 430 CG GLU A 31 55.820 5.219 7.417 1.00 0.00 C ATOM 431 CD GLU A 31 55.996 5.472 8.915 1.00 0.00 C ATOM 432 OE1 GLU A 31 56.811 4.794 9.518 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.314 6.341 9.434 1.00 0.00 O ATOM 0 H GLU A 31 57.995 2.331 6.221 1.00 0.00 H new ATOM 0 HA GLU A 31 55.898 4.231 5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.677 4.119 7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.792 5.624 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.478 6.128 6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.056 4.460 7.253 1.00 0.00 H new ATOM 440 N VAL A 32 57.454 4.775 3.282 1.00 0.00 N ATOM 441 CA VAL A 32 58.404 5.146 2.198 1.00 0.00 C ATOM 442 C VAL A 32 58.224 6.613 1.785 1.00 0.00 C ATOM 443 O VAL A 32 57.177 7.200 1.979 1.00 0.00 O ATOM 444 CB VAL A 32 58.040 4.203 1.055 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.038 4.375 -0.084 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.089 2.756 1.560 1.00 0.00 C ATOM 0 H VAL A 32 56.466 4.832 3.034 1.00 0.00 H new ATOM 0 HA VAL A 32 59.447 5.053 2.502 1.00 0.00 H new ATOM 0 HB VAL A 32 57.037 4.434 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.778 3.701 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.010 5.405 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.041 4.142 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 32 57.830 2.078 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.094 2.529 1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.378 2.631 2.377 1.00 0.00 H new ATOM 456 N TYR A 33 59.244 7.214 1.222 1.00 0.00 N ATOM 457 CA TYR A 33 59.132 8.644 0.805 1.00 0.00 C ATOM 458 C TYR A 33 59.717 8.853 -0.602 1.00 0.00 C ATOM 459 O TYR A 33 58.994 9.076 -1.552 1.00 0.00 O ATOM 460 CB TYR A 33 59.941 9.419 1.846 1.00 0.00 C ATOM 461 CG TYR A 33 59.121 9.572 3.106 1.00 0.00 C ATOM 462 CD1 TYR A 33 59.009 8.505 4.007 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.469 10.783 3.373 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.247 8.649 5.173 1.00 0.00 C ATOM 465 CE2 TYR A 33 57.706 10.926 4.538 1.00 0.00 C ATOM 466 CZ TYR A 33 57.595 9.859 5.438 1.00 0.00 C ATOM 467 OH TYR A 33 56.843 10.000 6.587 1.00 0.00 O ATOM 0 H TYR A 33 60.146 6.777 1.034 1.00 0.00 H new ATOM 0 HA TYR A 33 58.095 8.976 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 33 60.870 8.894 2.065 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.214 10.399 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 33 59.511 7.571 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 33 58.555 11.607 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 33 58.162 7.827 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.203 11.859 4.743 1.00 0.00 H new ATOM 0 HH TYR A 33 56.459 10.901 6.618 1.00 0.00 H new ATOM 477 N GLY A 34 61.017 8.790 -0.744 1.00 0.00 N ATOM 478 CA GLY A 34 61.634 8.994 -2.094 1.00 0.00 C ATOM 479 C GLY A 34 62.384 7.727 -2.516 1.00 0.00 C ATOM 480 O GLY A 34 63.476 7.784 -3.048 1.00 0.00 O ATOM 0 H GLY A 34 61.677 8.607 0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.861 9.231 -2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.319 9.842 -2.067 1.00 0.00 H new ATOM 484 N THR A 35 61.808 6.585 -2.274 1.00 0.00 N ATOM 485 CA THR A 35 62.473 5.299 -2.642 1.00 0.00 C ATOM 486 C THR A 35 62.134 4.918 -4.094 1.00 0.00 C ATOM 487 O THR A 35 61.322 5.553 -4.736 1.00 0.00 O ATOM 488 CB THR A 35 61.884 4.303 -1.639 1.00 0.00 C ATOM 489 OG1 THR A 35 62.583 4.407 -0.409 1.00 0.00 O ATOM 490 CG2 THR A 35 61.993 2.877 -2.167 1.00 0.00 C ATOM 0 H THR A 35 60.894 6.483 -1.832 1.00 0.00 H new ATOM 0 HA THR A 35 63.561 5.337 -2.598 1.00 0.00 H new ATOM 0 HB THR A 35 60.830 4.538 -1.490 1.00 0.00 H new ATOM 0 HG1 THR A 35 62.543 5.332 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.569 2.186 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.447 2.794 -3.107 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.041 2.630 -2.334 1.00 0.00 H new ATOM 498 N THR A 36 62.762 3.896 -4.626 1.00 0.00 N ATOM 499 CA THR A 36 62.478 3.495 -6.039 1.00 0.00 C ATOM 500 C THR A 36 61.766 2.134 -6.091 1.00 0.00 C ATOM 501 O THR A 36 61.239 1.740 -7.112 1.00 0.00 O ATOM 502 CB THR A 36 63.853 3.406 -6.705 1.00 0.00 C ATOM 503 OG1 THR A 36 64.628 4.538 -6.336 1.00 0.00 O ATOM 504 CG2 THR A 36 63.686 3.375 -8.226 1.00 0.00 C ATOM 0 H THR A 36 63.456 3.325 -4.144 1.00 0.00 H new ATOM 0 HA THR A 36 61.820 4.206 -6.539 1.00 0.00 H new ATOM 0 HB THR A 36 64.357 2.496 -6.379 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.443 4.568 -6.879 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.666 3.312 -8.698 1.00 0.00 H new ATOM 0 HG22 THR A 36 63.090 2.507 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 36 63.183 4.284 -8.555 1.00 0.00 H new ATOM 512 N CYS A 37 61.749 1.421 -4.995 1.00 0.00 N ATOM 513 CA CYS A 37 61.072 0.083 -4.956 1.00 0.00 C ATOM 514 C CYS A 37 61.244 -0.651 -6.288 1.00 0.00 C ATOM 515 O CYS A 37 60.287 -0.922 -6.985 1.00 0.00 O ATOM 516 CB CYS A 37 59.593 0.391 -4.706 1.00 0.00 C ATOM 517 SG CYS A 37 58.998 -0.561 -3.284 1.00 0.00 S ATOM 0 H CYS A 37 62.178 1.708 -4.115 1.00 0.00 H new ATOM 0 HA CYS A 37 61.495 -0.562 -4.186 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.460 1.457 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.006 0.145 -5.591 1.00 0.00 H new ATOM 522 N THR A 38 62.455 -0.970 -6.648 1.00 0.00 N ATOM 523 CA THR A 38 62.683 -1.681 -7.937 1.00 0.00 C ATOM 524 C THR A 38 62.060 -3.080 -7.893 1.00 0.00 C ATOM 525 O THR A 38 62.742 -4.070 -7.711 1.00 0.00 O ATOM 526 CB THR A 38 64.203 -1.768 -8.078 1.00 0.00 C ATOM 527 OG1 THR A 38 64.755 -0.458 -8.051 1.00 0.00 O ATOM 528 CG2 THR A 38 64.554 -2.446 -9.401 1.00 0.00 C ATOM 0 H THR A 38 63.296 -0.770 -6.107 1.00 0.00 H new ATOM 0 HA THR A 38 62.226 -1.163 -8.780 1.00 0.00 H new ATOM 0 HB THR A 38 64.614 -2.351 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.365 -0.344 -8.809 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.638 -2.508 -9.502 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.130 -3.450 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.146 -1.864 -10.227 1.00 0.00 H new ATOM 536 N GLY A 39 60.768 -3.168 -8.066 1.00 0.00 N ATOM 537 CA GLY A 39 60.097 -4.500 -8.043 1.00 0.00 C ATOM 538 C GLY A 39 60.482 -5.257 -6.769 1.00 0.00 C ATOM 539 O GLY A 39 60.634 -6.462 -6.772 1.00 0.00 O ATOM 0 H GLY A 39 60.148 -2.374 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.015 -4.373 -8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.386 -5.078 -8.921 1.00 0.00 H new ATOM 543 N SER A 40 60.635 -4.559 -5.676 1.00 0.00 N ATOM 544 CA SER A 40 61.003 -5.235 -4.397 1.00 0.00 C ATOM 545 C SER A 40 59.793 -5.265 -3.459 1.00 0.00 C ATOM 546 O SER A 40 58.679 -5.509 -3.879 1.00 0.00 O ATOM 547 CB SER A 40 62.123 -4.380 -3.807 1.00 0.00 C ATOM 548 OG SER A 40 61.604 -3.103 -3.453 1.00 0.00 O ATOM 0 H SER A 40 60.521 -3.547 -5.613 1.00 0.00 H new ATOM 0 HA SER A 40 61.319 -6.268 -4.545 1.00 0.00 H new ATOM 0 HB2 SER A 40 62.546 -4.869 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.931 -4.269 -4.530 1.00 0.00 H new ATOM 0 HG SER A 40 60.681 -3.025 -3.774 1.00 0.00 H new ATOM 554 N ARG A 41 59.999 -5.017 -2.195 1.00 0.00 N ATOM 555 CA ARG A 41 58.853 -5.032 -1.242 1.00 0.00 C ATOM 556 C ARG A 41 59.347 -4.814 0.192 1.00 0.00 C ATOM 557 O ARG A 41 60.478 -5.112 0.523 1.00 0.00 O ATOM 558 CB ARG A 41 58.229 -6.422 -1.392 1.00 0.00 C ATOM 559 CG ARG A 41 57.353 -6.727 -0.173 1.00 0.00 C ATOM 560 CD ARG A 41 56.455 -7.930 -0.469 1.00 0.00 C ATOM 561 NE ARG A 41 56.029 -8.423 0.871 1.00 0.00 N ATOM 562 CZ ARG A 41 56.674 -9.403 1.445 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.653 -10.596 0.918 1.00 0.00 N ATOM 564 NH2 ARG A 41 57.338 -9.189 2.548 1.00 0.00 N ATOM 0 H ARG A 41 60.907 -4.805 -1.782 1.00 0.00 H new ATOM 0 HA ARG A 41 58.135 -4.239 -1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.631 -6.467 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 41 59.012 -7.175 -1.487 1.00 0.00 H new ATOM 0 HG2 ARG A 41 57.980 -6.934 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 41 56.743 -5.858 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 41 55.597 -7.643 -1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.994 -8.700 -1.021 1.00 0.00 H new ATOM 0 HE ARG A 41 55.232 -7.994 1.341 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.133 -10.764 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.157 -11.361 1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 41 57.353 -8.257 2.961 1.00 0.00 H new ATOM 0 HH22 ARG A 41 57.842 -9.954 2.997 1.00 0.00 H new ATOM 578 N PHE A 42 58.501 -4.304 1.044 1.00 0.00 N ATOM 579 CA PHE A 42 58.909 -4.074 2.459 1.00 0.00 C ATOM 580 C PHE A 42 58.007 -4.875 3.398 1.00 0.00 C ATOM 581 O PHE A 42 56.990 -5.404 2.996 1.00 0.00 O ATOM 582 CB PHE A 42 58.716 -2.577 2.698 1.00 0.00 C ATOM 583 CG PHE A 42 59.453 -1.792 1.643 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.625 -2.307 1.079 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.965 -0.546 1.233 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.311 -1.576 0.102 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.649 0.185 0.257 1.00 0.00 C ATOM 588 CZ PHE A 42 60.822 -0.330 -0.308 1.00 0.00 C ATOM 0 H PHE A 42 57.542 -4.036 0.821 1.00 0.00 H new ATOM 0 HA PHE A 42 59.937 -4.387 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.655 -2.329 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.083 -2.307 3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.000 -3.268 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 42 58.061 -0.149 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.216 -1.972 -0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.273 1.146 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.351 0.235 -1.062 1.00 0.00 H new ATOM 598 N ASP A 43 58.365 -4.962 4.647 1.00 0.00 N ATOM 599 CA ASP A 43 57.522 -5.721 5.610 1.00 0.00 C ATOM 600 C ASP A 43 57.834 -5.280 7.037 1.00 0.00 C ATOM 601 O ASP A 43 58.466 -5.989 7.794 1.00 0.00 O ATOM 602 CB ASP A 43 57.894 -7.188 5.402 1.00 0.00 C ATOM 603 CG ASP A 43 56.644 -8.059 5.548 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.783 -7.697 6.334 1.00 0.00 O ATOM 605 OD2 ASP A 43 56.570 -9.071 4.874 1.00 0.00 O ATOM 0 H ASP A 43 59.205 -4.540 5.043 1.00 0.00 H new ATOM 0 HA ASP A 43 56.457 -5.552 5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.333 -7.326 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.647 -7.490 6.130 1.00 0.00 H new ATOM 610 N GLY A 44 57.394 -4.111 7.411 1.00 0.00 N ATOM 611 CA GLY A 44 57.667 -3.628 8.789 1.00 0.00 C ATOM 612 C GLY A 44 58.897 -2.719 8.779 1.00 0.00 C ATOM 613 O GLY A 44 59.811 -2.897 9.560 1.00 0.00 O ATOM 0 H GLY A 44 56.859 -3.472 6.823 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.804 -3.084 9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.833 -4.474 9.456 1.00 0.00 H new ATOM 617 N VAL A 45 58.943 -1.753 7.899 1.00 0.00 N ATOM 618 CA VAL A 45 60.139 -0.861 7.861 1.00 0.00 C ATOM 619 C VAL A 45 59.727 0.616 7.828 1.00 0.00 C ATOM 620 O VAL A 45 58.595 0.968 8.096 1.00 0.00 O ATOM 621 CB VAL A 45 60.893 -1.244 6.575 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.771 -2.750 6.330 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.305 -0.496 5.373 1.00 0.00 C ATOM 0 H VAL A 45 58.216 -1.545 7.215 1.00 0.00 H new ATOM 0 HA VAL A 45 60.759 -0.985 8.749 1.00 0.00 H new ATOM 0 HB VAL A 45 61.942 -0.972 6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.307 -3.015 5.418 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.200 -3.292 7.173 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.720 -3.017 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 45 60.847 -0.776 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.253 -0.758 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.396 0.578 5.533 1.00 0.00 H new ATOM 633 N THR A 46 60.651 1.472 7.493 1.00 0.00 N ATOM 634 CA THR A 46 60.356 2.931 7.421 1.00 0.00 C ATOM 635 C THR A 46 61.415 3.609 6.552 1.00 0.00 C ATOM 636 O THR A 46 62.120 4.496 6.990 1.00 0.00 O ATOM 637 CB THR A 46 60.434 3.432 8.864 1.00 0.00 C ATOM 638 OG1 THR A 46 59.366 2.869 9.616 1.00 0.00 O ATOM 639 CG2 THR A 46 60.325 4.958 8.883 1.00 0.00 C ATOM 0 H THR A 46 61.612 1.219 7.263 1.00 0.00 H new ATOM 0 HA THR A 46 59.381 3.146 6.983 1.00 0.00 H new ATOM 0 HB THR A 46 61.386 3.133 9.303 1.00 0.00 H new ATOM 0 HG1 THR A 46 58.751 2.402 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.381 5.314 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.143 5.388 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.374 5.260 8.445 1.00 0.00 H new ATOM 647 N ILE A 47 61.537 3.184 5.323 1.00 0.00 N ATOM 648 CA ILE A 47 62.557 3.786 4.421 1.00 0.00 C ATOM 649 C ILE A 47 62.132 5.192 4.004 1.00 0.00 C ATOM 650 O ILE A 47 61.042 5.639 4.304 1.00 0.00 O ATOM 651 CB ILE A 47 62.597 2.854 3.209 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.622 3.365 2.196 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.215 2.811 2.555 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.007 2.231 1.245 1.00 0.00 C ATOM 0 H ILE A 47 60.972 2.444 4.905 1.00 0.00 H new ATOM 0 HA ILE A 47 63.532 3.883 4.899 1.00 0.00 H new ATOM 0 HB ILE A 47 62.881 1.853 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.207 4.201 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.507 3.736 2.713 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.242 2.147 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.484 2.442 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 47 60.933 3.814 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.738 2.594 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.439 1.409 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.119 1.881 0.718 1.00 0.00 H new ATOM 666 N THR A 48 62.987 5.894 3.315 1.00 0.00 N ATOM 667 CA THR A 48 62.637 7.272 2.878 1.00 0.00 C ATOM 668 C THR A 48 63.083 7.488 1.430 1.00 0.00 C ATOM 669 O THR A 48 62.360 7.196 0.500 1.00 0.00 O ATOM 670 CB THR A 48 63.407 8.189 3.830 1.00 0.00 C ATOM 671 OG1 THR A 48 64.607 7.546 4.233 1.00 0.00 O ATOM 672 CG2 THR A 48 62.547 8.483 5.058 1.00 0.00 C ATOM 0 H THR A 48 63.914 5.572 3.036 1.00 0.00 H new ATOM 0 HA THR A 48 61.565 7.465 2.909 1.00 0.00 H new ATOM 0 HB THR A 48 63.647 9.124 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 48 65.103 8.132 4.842 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.094 9.136 5.737 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.625 8.973 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.308 7.549 5.567 1.00 0.00 H new ATOM 680 N THR A 49 64.270 7.991 1.231 1.00 0.00 N ATOM 681 CA THR A 49 64.755 8.215 -0.160 1.00 0.00 C ATOM 682 C THR A 49 65.906 7.259 -0.474 1.00 0.00 C ATOM 683 O THR A 49 67.030 7.667 -0.667 1.00 0.00 O ATOM 684 CB THR A 49 65.233 9.667 -0.186 1.00 0.00 C ATOM 685 OG1 THR A 49 64.107 10.532 -0.187 1.00 0.00 O ATOM 686 CG2 THR A 49 66.063 9.904 -1.448 1.00 0.00 C ATOM 0 H THR A 49 64.923 8.256 1.968 1.00 0.00 H new ATOM 0 HA THR A 49 63.980 8.033 -0.905 1.00 0.00 H new ATOM 0 HB THR A 49 65.845 9.869 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.410 11.464 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.405 10.939 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.925 9.237 -1.447 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.451 9.706 -2.328 1.00 0.00 H new ATOM 694 N SER A 50 65.635 5.985 -0.521 1.00 0.00 N ATOM 695 CA SER A 50 66.720 5.005 -0.814 1.00 0.00 C ATOM 696 C SER A 50 66.544 4.411 -2.214 1.00 0.00 C ATOM 697 O SER A 50 65.441 4.175 -2.666 1.00 0.00 O ATOM 698 CB SER A 50 66.558 3.920 0.248 1.00 0.00 C ATOM 699 OG SER A 50 67.031 2.683 -0.268 1.00 0.00 O ATOM 0 H SER A 50 64.711 5.579 -0.370 1.00 0.00 H new ATOM 0 HA SER A 50 67.708 5.465 -0.791 1.00 0.00 H new ATOM 0 HB2 SER A 50 67.114 4.189 1.146 1.00 0.00 H new ATOM 0 HB3 SER A 50 65.511 3.830 0.536 1.00 0.00 H new ATOM 0 HG SER A 50 67.969 2.559 -0.012 1.00 0.00 H new ATOM 705 N THR A 51 67.627 4.172 -2.901 1.00 0.00 N ATOM 706 CA THR A 51 67.528 3.596 -4.275 1.00 0.00 C ATOM 707 C THR A 51 67.595 2.065 -4.231 1.00 0.00 C ATOM 708 O THR A 51 67.916 1.425 -5.213 1.00 0.00 O ATOM 709 CB THR A 51 68.737 4.150 -5.022 1.00 0.00 C ATOM 710 OG1 THR A 51 69.012 5.467 -4.567 1.00 0.00 O ATOM 711 CG2 THR A 51 68.446 4.174 -6.523 1.00 0.00 C ATOM 0 H THR A 51 68.576 4.350 -2.572 1.00 0.00 H new ATOM 0 HA THR A 51 66.585 3.857 -4.755 1.00 0.00 H new ATOM 0 HB THR A 51 69.602 3.514 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.682 5.881 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.311 4.570 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.239 3.162 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.580 4.807 -6.716 1.00 0.00 H new ATOM 719 N SER A 52 67.300 1.479 -3.103 1.00 0.00 N ATOM 720 CA SER A 52 67.347 -0.012 -2.988 1.00 0.00 C ATOM 721 C SER A 52 66.833 -0.671 -4.269 1.00 0.00 C ATOM 722 O SER A 52 65.759 -0.365 -4.747 1.00 0.00 O ATOM 723 CB SER A 52 66.428 -0.344 -1.813 1.00 0.00 C ATOM 724 OG SER A 52 67.025 -1.364 -1.023 1.00 0.00 O ATOM 0 H SER A 52 67.027 1.968 -2.251 1.00 0.00 H new ATOM 0 HA SER A 52 68.363 -0.377 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 52 66.256 0.546 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 52 65.456 -0.674 -2.179 1.00 0.00 H new ATOM 0 HG SER A 52 66.652 -2.234 -1.276 1.00 0.00 H new ATOM 730 N THR A 53 67.591 -1.575 -4.831 1.00 0.00 N ATOM 731 CA THR A 53 67.135 -2.248 -6.080 1.00 0.00 C ATOM 732 C THR A 53 66.821 -3.720 -5.800 1.00 0.00 C ATOM 733 O THR A 53 67.708 -4.543 -5.700 1.00 0.00 O ATOM 734 CB THR A 53 68.308 -2.126 -7.055 1.00 0.00 C ATOM 735 OG1 THR A 53 68.780 -0.784 -7.061 1.00 0.00 O ATOM 736 CG2 THR A 53 67.847 -2.523 -8.460 1.00 0.00 C ATOM 0 H THR A 53 68.501 -1.875 -4.481 1.00 0.00 H new ATOM 0 HA THR A 53 66.227 -1.798 -6.482 1.00 0.00 H new ATOM 0 HB THR A 53 69.115 -2.789 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.532 -0.705 -7.684 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.682 -2.436 -9.155 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.490 -3.553 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 53 67.040 -1.863 -8.778 1.00 0.00 H new ATOM 744 N GLY A 54 65.567 -4.055 -5.668 1.00 0.00 N ATOM 745 CA GLY A 54 65.203 -5.472 -5.391 1.00 0.00 C ATOM 746 C GLY A 54 65.823 -5.903 -4.063 1.00 0.00 C ATOM 747 O GLY A 54 66.827 -6.587 -4.030 1.00 0.00 O ATOM 0 H GLY A 54 64.780 -3.410 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.119 -5.580 -5.351 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.558 -6.115 -6.197 1.00 0.00 H new ATOM 751 N SER A 55 65.238 -5.505 -2.968 1.00 0.00 N ATOM 752 CA SER A 55 65.798 -5.889 -1.640 1.00 0.00 C ATOM 753 C SER A 55 64.673 -6.023 -0.610 1.00 0.00 C ATOM 754 O SER A 55 63.925 -5.095 -0.369 1.00 0.00 O ATOM 755 CB SER A 55 66.737 -4.745 -1.263 1.00 0.00 C ATOM 756 OG SER A 55 66.138 -3.507 -1.618 1.00 0.00 O ATOM 0 H SER A 55 64.396 -4.930 -2.934 1.00 0.00 H new ATOM 0 HA SER A 55 66.315 -6.848 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.945 -4.768 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.692 -4.860 -1.776 1.00 0.00 H new ATOM 0 HG SER A 55 65.196 -3.511 -1.349 1.00 0.00 H new ATOM 762 N ARG A 56 64.544 -7.170 0.000 1.00 0.00 N ATOM 763 CA ARG A 56 63.466 -7.355 1.012 1.00 0.00 C ATOM 764 C ARG A 56 63.803 -6.581 2.285 1.00 0.00 C ATOM 765 O ARG A 56 64.632 -6.993 3.072 1.00 0.00 O ATOM 766 CB ARG A 56 63.436 -8.857 1.296 1.00 0.00 C ATOM 767 CG ARG A 56 61.995 -9.298 1.563 1.00 0.00 C ATOM 768 CD ARG A 56 61.751 -10.668 0.925 1.00 0.00 C ATOM 769 NE ARG A 56 62.236 -11.652 1.933 1.00 0.00 N ATOM 770 CZ ARG A 56 61.862 -12.900 1.856 1.00 0.00 C ATOM 771 NH1 ARG A 56 60.614 -13.221 2.055 1.00 0.00 N ATOM 772 NH2 ARG A 56 62.740 -13.824 1.578 1.00 0.00 N ATOM 0 H ARG A 56 65.137 -7.985 -0.158 1.00 0.00 H new ATOM 0 HA ARG A 56 62.503 -6.989 0.658 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.844 -9.406 0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 56 64.063 -9.088 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.812 -9.348 2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.298 -8.566 1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.694 -10.818 0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 56 62.292 -10.767 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 56 62.859 -11.351 2.682 1.00 0.00 H new ATOM 0 HH11 ARG A 56 59.929 -12.497 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 56 60.322 -14.197 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 56 63.715 -13.570 1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 56 62.451 -14.800 1.517 1.00 0.00 H new ATOM 786 N ILE A 57 63.165 -5.466 2.496 1.00 0.00 N ATOM 787 CA ILE A 57 63.451 -4.674 3.721 1.00 0.00 C ATOM 788 C ILE A 57 62.632 -5.219 4.895 1.00 0.00 C ATOM 789 O ILE A 57 62.544 -4.607 5.942 1.00 0.00 O ATOM 790 CB ILE A 57 63.038 -3.242 3.378 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.602 -2.864 2.005 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.599 -2.291 4.434 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.129 -2.928 2.046 1.00 0.00 C ATOM 0 H ILE A 57 62.460 -5.070 1.875 1.00 0.00 H new ATOM 0 HA ILE A 57 64.499 -4.724 4.017 1.00 0.00 H new ATOM 0 HB ILE A 57 61.951 -3.169 3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.219 -3.543 1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.277 -1.861 1.730 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.308 -1.268 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.204 -2.561 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.686 -2.364 4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.531 -2.659 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.502 -2.231 2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.444 -3.940 2.302 1.00 0.00 H new ATOM 805 N SER A 58 62.038 -6.371 4.729 1.00 0.00 N ATOM 806 CA SER A 58 61.229 -6.966 5.836 1.00 0.00 C ATOM 807 C SER A 58 61.948 -6.780 7.178 1.00 0.00 C ATOM 808 O SER A 58 63.161 -6.764 7.242 1.00 0.00 O ATOM 809 CB SER A 58 61.136 -8.452 5.495 1.00 0.00 C ATOM 810 OG SER A 58 59.877 -8.726 4.897 1.00 0.00 O ATOM 0 H SER A 58 62.077 -6.927 3.875 1.00 0.00 H new ATOM 0 HA SER A 58 60.249 -6.498 5.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 61.941 -8.730 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.259 -9.051 6.397 1.00 0.00 H new ATOM 0 HG SER A 58 59.820 -9.679 4.678 1.00 0.00 H new ATOM 816 N GLY A 59 61.214 -6.648 8.251 1.00 0.00 N ATOM 817 CA GLY A 59 61.871 -6.473 9.577 1.00 0.00 C ATOM 818 C GLY A 59 60.898 -5.813 10.555 1.00 0.00 C ATOM 819 O GLY A 59 59.967 -5.147 10.150 1.00 0.00 O ATOM 0 H GLY A 59 60.194 -6.654 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.191 -7.440 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.766 -5.860 9.471 1.00 0.00 H new ATOM 823 N PRO A 60 61.155 -6.018 11.817 1.00 0.00 N ATOM 824 CA PRO A 60 60.300 -5.432 12.875 1.00 0.00 C ATOM 825 C PRO A 60 60.609 -3.941 13.030 1.00 0.00 C ATOM 826 O PRO A 60 60.881 -3.462 14.112 1.00 0.00 O ATOM 827 CB PRO A 60 60.704 -6.198 14.130 1.00 0.00 C ATOM 828 CG PRO A 60 62.100 -6.673 13.865 1.00 0.00 C ATOM 829 CD PRO A 60 62.257 -6.811 12.371 1.00 0.00 C ATOM 0 HA PRO A 60 59.234 -5.510 12.661 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.666 -5.558 15.012 1.00 0.00 H new ATOM 0 HB3 PRO A 60 60.031 -7.035 14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.828 -5.966 14.263 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.280 -7.628 14.359 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.224 -6.436 12.036 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.193 -7.853 12.059 1.00 0.00 H new ATOM 837 N GLY A 61 60.573 -3.206 11.953 1.00 0.00 N ATOM 838 CA GLY A 61 60.873 -1.749 12.036 1.00 0.00 C ATOM 839 C GLY A 61 62.098 -1.437 11.176 1.00 0.00 C ATOM 840 O GLY A 61 62.736 -0.414 11.334 1.00 0.00 O ATOM 0 H GLY A 61 60.349 -3.551 11.020 1.00 0.00 H new ATOM 0 HA2 GLY A 61 60.016 -1.169 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 61 61.058 -1.462 13.071 1.00 0.00 H new ATOM 844 N CYS A 62 62.430 -2.313 10.264 1.00 0.00 N ATOM 845 CA CYS A 62 63.613 -2.076 9.384 1.00 0.00 C ATOM 846 C CYS A 62 63.666 -0.607 8.956 1.00 0.00 C ATOM 847 O CYS A 62 62.708 -0.066 8.440 1.00 0.00 O ATOM 848 CB CYS A 62 63.389 -2.981 8.171 1.00 0.00 C ATOM 849 SG CYS A 62 64.984 -3.523 7.512 1.00 0.00 S ATOM 0 H CYS A 62 61.931 -3.185 10.090 1.00 0.00 H new ATOM 0 HA CYS A 62 64.555 -2.294 9.887 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.790 -3.846 8.456 1.00 0.00 H new ATOM 0 HB3 CYS A 62 62.831 -2.445 7.403 1.00 0.00 H new ATOM 854 N LYS A 63 64.778 0.044 9.168 1.00 0.00 N ATOM 855 CA LYS A 63 64.890 1.478 8.778 1.00 0.00 C ATOM 856 C LYS A 63 65.806 1.639 7.563 1.00 0.00 C ATOM 857 O LYS A 63 66.806 0.963 7.431 1.00 0.00 O ATOM 858 CB LYS A 63 65.511 2.168 9.991 1.00 0.00 C ATOM 859 CG LYS A 63 64.804 1.708 11.266 1.00 0.00 C ATOM 860 CD LYS A 63 65.474 0.438 11.797 1.00 0.00 C ATOM 861 CE LYS A 63 65.794 0.618 13.283 1.00 0.00 C ATOM 862 NZ LYS A 63 65.239 -0.593 13.948 1.00 0.00 N ATOM 0 H LYS A 63 65.614 -0.356 9.595 1.00 0.00 H new ATOM 0 HA LYS A 63 63.922 1.900 8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 63 66.574 1.934 10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.427 3.250 9.888 1.00 0.00 H new ATOM 0 HG2 LYS A 63 64.844 2.494 12.020 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.751 1.517 11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 63 64.816 -0.420 11.656 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.388 0.234 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 63 66.868 0.701 13.448 1.00 0.00 H new ATOM 0 HE3 LYS A 63 65.340 1.527 13.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 65.657 -0.691 14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 64.207 -0.500 14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 65.466 -1.435 13.381 1.00 0.00 H new ATOM 876 N ILE A 64 65.481 2.549 6.685 1.00 0.00 N ATOM 877 CA ILE A 64 66.337 2.785 5.488 1.00 0.00 C ATOM 878 C ILE A 64 66.356 4.284 5.175 1.00 0.00 C ATOM 879 O ILE A 64 65.323 4.903 5.019 1.00 0.00 O ATOM 880 CB ILE A 64 65.681 2.018 4.337 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.599 0.522 4.677 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.520 2.208 3.073 1.00 0.00 C ATOM 883 CD1 ILE A 64 66.986 -0.114 4.557 1.00 0.00 C ATOM 0 H ILE A 64 64.654 3.143 6.746 1.00 0.00 H new ATOM 0 HA ILE A 64 67.363 2.454 5.647 1.00 0.00 H new ATOM 0 HB ILE A 64 64.672 2.398 4.177 1.00 0.00 H new ATOM 0 HG12 ILE A 64 65.215 0.390 5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 64 64.901 0.024 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.061 1.665 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 64 66.572 3.269 2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.526 1.826 3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 64 66.922 -1.175 4.799 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.353 0.004 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.672 0.375 5.249 1.00 0.00 H new ATOM 895 N SER A 65 67.515 4.877 5.093 1.00 0.00 N ATOM 896 CA SER A 65 67.573 6.338 4.802 1.00 0.00 C ATOM 897 C SER A 65 68.618 6.631 3.725 1.00 0.00 C ATOM 898 O SER A 65 69.784 6.325 3.874 1.00 0.00 O ATOM 899 CB SER A 65 67.964 6.987 6.126 1.00 0.00 C ATOM 900 OG SER A 65 69.327 7.390 6.074 1.00 0.00 O ATOM 0 H SER A 65 68.418 4.418 5.214 1.00 0.00 H new ATOM 0 HA SER A 65 66.625 6.720 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 65 67.326 7.849 6.323 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.813 6.285 6.946 1.00 0.00 H new ATOM 0 HG SER A 65 69.856 6.698 5.625 1.00 0.00 H new ATOM 906 N THR A 66 68.198 7.224 2.642 1.00 0.00 N ATOM 907 CA THR A 66 69.145 7.549 1.535 1.00 0.00 C ATOM 908 C THR A 66 70.183 6.441 1.354 1.00 0.00 C ATOM 909 O THR A 66 71.373 6.686 1.343 1.00 0.00 O ATOM 910 CB THR A 66 69.822 8.856 1.939 1.00 0.00 C ATOM 911 OG1 THR A 66 68.836 9.791 2.354 1.00 0.00 O ATOM 912 CG2 THR A 66 70.581 9.409 0.733 1.00 0.00 C ATOM 0 H THR A 66 67.231 7.500 2.474 1.00 0.00 H new ATOM 0 HA THR A 66 68.622 7.641 0.583 1.00 0.00 H new ATOM 0 HB THR A 66 70.515 8.679 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.270 10.630 2.615 1.00 0.00 H new ATOM 0 HG21 THR A 66 71.070 10.344 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.332 8.687 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.883 9.591 -0.084 1.00 0.00 H new ATOM 920 N CYS A 67 69.743 5.226 1.190 1.00 0.00 N ATOM 921 CA CYS A 67 70.709 4.109 0.983 1.00 0.00 C ATOM 922 C CYS A 67 70.463 3.475 -0.382 1.00 0.00 C ATOM 923 O CYS A 67 69.462 2.822 -0.604 1.00 0.00 O ATOM 924 CB CYS A 67 70.447 3.100 2.106 1.00 0.00 C ATOM 925 SG CYS A 67 71.927 2.091 2.358 1.00 0.00 S ATOM 0 H CYS A 67 68.759 4.957 1.190 1.00 0.00 H new ATOM 0 HA CYS A 67 71.743 4.452 1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 67 70.187 3.622 3.027 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.599 2.465 1.850 1.00 0.00 H new ATOM 930 N ILE A 68 71.365 3.668 -1.301 1.00 0.00 N ATOM 931 CA ILE A 68 71.174 3.078 -2.653 1.00 0.00 C ATOM 932 C ILE A 68 70.891 1.581 -2.527 1.00 0.00 C ATOM 933 O ILE A 68 69.814 1.118 -2.840 1.00 0.00 O ATOM 934 CB ILE A 68 72.492 3.325 -3.394 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.530 4.773 -3.889 1.00 0.00 C ATOM 936 CG2 ILE A 68 72.593 2.380 -4.593 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.882 5.705 -2.728 1.00 0.00 C ATOM 0 H ILE A 68 72.222 4.206 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 68 70.332 3.520 -3.185 1.00 0.00 H new ATOM 0 HB ILE A 68 73.327 3.144 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.266 4.876 -4.687 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.563 5.049 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 68 73.531 2.558 -5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 68 72.561 1.347 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 68 71.758 2.561 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 68 72.908 6.735 -3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 68 72.130 5.611 -1.945 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.859 5.434 -2.327 1.00 0.00 H new ATOM 949 N ILE A 69 71.851 0.824 -2.073 1.00 0.00 N ATOM 950 CA ILE A 69 71.644 -0.646 -1.928 1.00 0.00 C ATOM 951 C ILE A 69 71.234 -1.251 -3.275 1.00 0.00 C ATOM 952 O ILE A 69 70.738 -0.561 -4.143 1.00 0.00 O ATOM 953 CB ILE A 69 70.514 -0.803 -0.910 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.717 0.174 0.253 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.507 -2.236 -0.376 1.00 0.00 C ATOM 956 CD1 ILE A 69 69.575 0.009 1.259 1.00 0.00 C ATOM 0 H ILE A 69 72.773 1.160 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 69 72.551 -1.156 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 69 69.562 -0.587 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 69 71.674 -0.015 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.744 1.198 -0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.702 -2.350 0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 69 70.352 -2.931 -1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.462 -2.450 0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.717 0.703 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.625 0.219 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 69 69.569 -1.013 1.638 1.00 0.00 H new ATOM 968 N THR A 70 71.430 -2.530 -3.464 1.00 0.00 N ATOM 969 CA THR A 70 71.042 -3.149 -4.768 1.00 0.00 C ATOM 970 C THR A 70 71.113 -4.679 -4.698 1.00 0.00 C ATOM 971 O THR A 70 72.178 -5.260 -4.685 1.00 0.00 O ATOM 972 CB THR A 70 72.066 -2.621 -5.777 1.00 0.00 C ATOM 973 OG1 THR A 70 71.772 -1.265 -6.086 1.00 0.00 O ATOM 974 CG2 THR A 70 72.013 -3.460 -7.055 1.00 0.00 C ATOM 0 H THR A 70 71.838 -3.168 -2.780 1.00 0.00 H new ATOM 0 HA THR A 70 70.017 -2.898 -5.041 1.00 0.00 H new ATOM 0 HB THR A 70 73.064 -2.688 -5.345 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.972 -0.984 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.743 -3.081 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.243 -4.499 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 70 71.015 -3.399 -7.489 1.00 0.00 H new ATOM 982 N GLY A 71 69.986 -5.339 -4.673 1.00 0.00 N ATOM 983 CA GLY A 71 70.000 -6.829 -4.626 1.00 0.00 C ATOM 984 C GLY A 71 70.125 -7.308 -3.180 1.00 0.00 C ATOM 985 O GLY A 71 70.640 -8.375 -2.913 1.00 0.00 O ATOM 0 H GLY A 71 69.060 -4.912 -4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.086 -7.223 -5.070 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.832 -7.211 -5.217 1.00 0.00 H new ATOM 989 N GLY A 72 69.653 -6.533 -2.246 1.00 0.00 N ATOM 990 CA GLY A 72 69.741 -6.952 -0.820 1.00 0.00 C ATOM 991 C GLY A 72 71.101 -6.551 -0.247 1.00 0.00 C ATOM 992 O GLY A 72 71.479 -6.962 0.832 1.00 0.00 O ATOM 0 H GLY A 72 69.210 -5.628 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.941 -6.486 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.605 -8.030 -0.739 1.00 0.00 H new ATOM 996 N VAL A 73 71.843 -5.754 -0.964 1.00 0.00 N ATOM 997 CA VAL A 73 73.185 -5.326 -0.468 1.00 0.00 C ATOM 998 C VAL A 73 73.237 -3.802 -0.346 1.00 0.00 C ATOM 999 O VAL A 73 72.782 -3.103 -1.224 1.00 0.00 O ATOM 1000 CB VAL A 73 74.156 -5.785 -1.547 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.940 -7.269 -1.839 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.894 -4.970 -2.813 1.00 0.00 C ATOM 0 H VAL A 73 71.579 -5.378 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 73 73.416 -5.742 0.512 1.00 0.00 H new ATOM 0 HB VAL A 73 75.183 -5.638 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.637 -7.593 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 73 74.111 -7.847 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.918 -7.427 -2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.581 -5.286 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.868 -5.131 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 73 74.046 -3.911 -2.602 1.00 0.00 H new ATOM 1012 N PRO A 74 73.801 -3.339 0.738 1.00 0.00 N ATOM 1013 CA PRO A 74 73.921 -1.880 0.969 1.00 0.00 C ATOM 1014 C PRO A 74 75.063 -1.288 0.136 1.00 0.00 C ATOM 1015 O PRO A 74 76.130 -1.858 0.031 1.00 0.00 O ATOM 1016 CB PRO A 74 74.241 -1.779 2.454 1.00 0.00 C ATOM 1017 CG PRO A 74 74.875 -3.088 2.812 1.00 0.00 C ATOM 1018 CD PRO A 74 74.369 -4.124 1.837 1.00 0.00 C ATOM 0 HA PRO A 74 73.022 -1.333 0.685 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.916 -0.947 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 74 73.338 -1.606 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.961 -3.013 2.762 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.622 -3.369 3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 74 75.175 -4.770 1.489 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.619 -4.768 2.295 1.00 0.00 H new ATOM 1026 N ALA A 75 74.845 -0.141 -0.451 1.00 0.00 N ATOM 1027 CA ALA A 75 75.916 0.497 -1.270 1.00 0.00 C ATOM 1028 C ALA A 75 76.487 1.713 -0.531 1.00 0.00 C ATOM 1029 O ALA A 75 75.862 2.240 0.368 1.00 0.00 O ATOM 1030 CB ALA A 75 75.222 0.928 -2.563 1.00 0.00 C ATOM 0 H ALA A 75 73.971 0.382 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 75 76.750 -0.178 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 75 75.946 1.408 -3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.803 0.053 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.422 1.631 -2.330 1.00 0.00 H new ATOM 1036 N PRO A 76 77.660 2.117 -0.937 1.00 0.00 N ATOM 1037 CA PRO A 76 78.324 3.284 -0.306 1.00 0.00 C ATOM 1038 C PRO A 76 77.622 4.582 -0.715 1.00 0.00 C ATOM 1039 O PRO A 76 77.508 4.894 -1.884 1.00 0.00 O ATOM 1040 CB PRO A 76 79.745 3.232 -0.862 1.00 0.00 C ATOM 1041 CG PRO A 76 79.627 2.487 -2.155 1.00 0.00 C ATOM 1042 CD PRO A 76 78.469 1.532 -2.012 1.00 0.00 C ATOM 0 HA PRO A 76 78.299 3.256 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.145 4.234 -1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.420 2.724 -0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.458 3.176 -2.983 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.548 1.946 -2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 76 77.902 1.450 -2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.808 0.528 -1.756 1.00 0.00 H new ATOM 1050 N SER A 77 77.147 5.339 0.236 1.00 0.00 N ATOM 1051 CA SER A 77 76.449 6.611 -0.109 1.00 0.00 C ATOM 1052 C SER A 77 76.894 7.739 0.826 1.00 0.00 C ATOM 1053 O SER A 77 76.392 8.844 0.762 1.00 0.00 O ATOM 1054 CB SER A 77 74.964 6.308 0.084 1.00 0.00 C ATOM 1055 OG SER A 77 74.201 7.102 -0.814 1.00 0.00 O ATOM 0 H SER A 77 77.211 5.133 1.233 1.00 0.00 H new ATOM 0 HA SER A 77 76.673 6.941 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.771 5.250 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.669 6.517 1.112 1.00 0.00 H new ATOM 0 HG SER A 77 74.504 8.033 -0.766 1.00 0.00 H new ATOM 1061 N ALA A 78 77.833 7.474 1.693 1.00 0.00 N ATOM 1062 CA ALA A 78 78.307 8.538 2.626 1.00 0.00 C ATOM 1063 C ALA A 78 77.115 9.182 3.341 1.00 0.00 C ATOM 1064 O ALA A 78 77.183 10.307 3.796 1.00 0.00 O ATOM 1065 CB ALA A 78 79.013 9.561 1.733 1.00 0.00 C ATOM 0 H ALA A 78 78.292 6.569 1.796 1.00 0.00 H new ATOM 0 HA ALA A 78 78.968 8.146 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 78 79.392 10.379 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.843 9.081 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.307 9.953 1.001 1.00 0.00 H new ATOM 1071 N ALA A 79 76.024 8.476 3.442 1.00 0.00 N ATOM 1072 CA ALA A 79 74.825 9.040 4.127 1.00 0.00 C ATOM 1073 C ALA A 79 73.883 7.909 4.544 1.00 0.00 C ATOM 1074 O ALA A 79 73.267 7.951 5.591 1.00 0.00 O ATOM 1075 CB ALA A 79 74.157 9.935 3.083 1.00 0.00 C ATOM 0 H ALA A 79 75.909 7.530 3.079 1.00 0.00 H new ATOM 0 HA ALA A 79 75.084 9.593 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 79 73.263 10.389 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 79 74.851 10.718 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.880 9.337 2.215 1.00 0.00 H new ATOM 1081 N CYS A 80 73.769 6.901 3.726 1.00 0.00 N ATOM 1082 CA CYS A 80 72.872 5.756 4.051 1.00 0.00 C ATOM 1083 C CYS A 80 72.949 5.406 5.541 1.00 0.00 C ATOM 1084 O CYS A 80 73.908 5.714 6.220 1.00 0.00 O ATOM 1085 CB CYS A 80 73.400 4.604 3.185 1.00 0.00 C ATOM 1086 SG CYS A 80 72.890 3.006 3.876 1.00 0.00 S ATOM 0 H CYS A 80 74.263 6.820 2.837 1.00 0.00 H new ATOM 0 HA CYS A 80 71.824 5.978 3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 80 73.023 4.704 2.167 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.487 4.652 3.128 1.00 0.00 H new ATOM 1091 N LYS A 81 71.939 4.751 6.043 1.00 0.00 N ATOM 1092 CA LYS A 81 71.928 4.355 7.481 1.00 0.00 C ATOM 1093 C LYS A 81 72.317 2.882 7.606 1.00 0.00 C ATOM 1094 O LYS A 81 72.768 2.272 6.659 1.00 0.00 O ATOM 1095 CB LYS A 81 70.482 4.556 7.933 1.00 0.00 C ATOM 1096 CG LYS A 81 69.570 3.566 7.195 1.00 0.00 C ATOM 1097 CD LYS A 81 69.396 2.293 8.029 1.00 0.00 C ATOM 1098 CE LYS A 81 69.909 1.083 7.237 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.881 0.842 6.190 1.00 0.00 N ATOM 0 H LYS A 81 71.113 4.470 5.514 1.00 0.00 H new ATOM 0 HA LYS A 81 72.629 4.935 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 81 70.403 4.406 9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.165 5.579 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.599 4.024 7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.998 3.319 6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 81 69.943 2.384 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.345 2.154 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 81 70.884 1.287 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 81 70.028 0.212 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 68.957 -0.137 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 67.934 0.996 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 69.032 1.498 5.397 1.00 0.00 H new ATOM 1113 N ILE A 82 72.129 2.298 8.759 1.00 0.00 N ATOM 1114 CA ILE A 82 72.471 0.854 8.929 1.00 0.00 C ATOM 1115 C ILE A 82 72.219 0.420 10.384 1.00 0.00 C ATOM 1116 O ILE A 82 72.886 -0.445 10.915 1.00 0.00 O ATOM 1117 CB ILE A 82 73.957 0.746 8.519 1.00 0.00 C ATOM 1118 CG1 ILE A 82 74.127 -0.453 7.582 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.868 0.566 9.740 1.00 0.00 C ATOM 1120 CD1 ILE A 82 73.458 -0.154 6.236 1.00 0.00 C ATOM 0 H ILE A 82 71.754 2.756 9.590 1.00 0.00 H new ATOM 0 HA ILE A 82 71.858 0.191 8.319 1.00 0.00 H new ATOM 0 HB ILE A 82 74.243 1.671 8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 82 75.186 -0.664 7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 82 73.684 -1.343 8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.905 0.494 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.757 1.421 10.406 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.591 -0.345 10.270 1.00 0.00 H new ATOM 0 HD11 ILE A 82 73.580 -1.009 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 82 72.396 0.035 6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 82 73.921 0.724 5.787 1.00 0.00 H new ATOM 1132 N SER A 83 71.247 1.010 11.029 1.00 0.00 N ATOM 1133 CA SER A 83 70.955 0.634 12.441 1.00 0.00 C ATOM 1134 C SER A 83 70.338 -0.771 12.511 1.00 0.00 C ATOM 1135 O SER A 83 71.034 -1.764 12.433 1.00 0.00 O ATOM 1136 CB SER A 83 69.966 1.690 12.929 1.00 0.00 C ATOM 1137 OG SER A 83 69.374 1.252 14.143 1.00 0.00 O ATOM 0 H SER A 83 70.644 1.735 10.639 1.00 0.00 H new ATOM 0 HA SER A 83 71.855 0.603 13.055 1.00 0.00 H new ATOM 0 HB2 SER A 83 70.477 2.640 13.082 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.196 1.860 12.176 1.00 0.00 H new ATOM 0 HG SER A 83 68.740 1.928 14.460 1.00 0.00 H new ATOM 1143 N GLY A 84 69.042 -0.867 12.665 1.00 0.00 N ATOM 1144 CA GLY A 84 68.401 -2.210 12.747 1.00 0.00 C ATOM 1145 C GLY A 84 67.604 -2.478 11.472 1.00 0.00 C ATOM 1146 O GLY A 84 66.502 -1.998 11.303 1.00 0.00 O ATOM 0 H GLY A 84 68.403 -0.075 12.737 1.00 0.00 H new ATOM 0 HA2 GLY A 84 69.162 -2.979 12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.744 -2.258 13.615 1.00 0.00 H new ATOM 1150 N CYS A 85 68.154 -3.245 10.572 1.00 0.00 N ATOM 1151 CA CYS A 85 67.428 -3.546 9.307 1.00 0.00 C ATOM 1152 C CYS A 85 68.036 -4.783 8.639 1.00 0.00 C ATOM 1153 O CYS A 85 68.712 -5.568 9.269 1.00 0.00 O ATOM 1154 CB CYS A 85 67.645 -2.309 8.432 1.00 0.00 C ATOM 1155 SG CYS A 85 66.118 -1.850 7.562 1.00 0.00 S ATOM 0 H CYS A 85 69.074 -3.676 10.658 1.00 0.00 H new ATOM 0 HA CYS A 85 66.371 -3.755 9.470 1.00 0.00 H new ATOM 0 HB2 CYS A 85 67.980 -1.476 9.050 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.435 -2.506 7.708 1.00 0.00 H new ATOM 1160 N THR A 86 67.809 -4.945 7.363 1.00 0.00 N ATOM 1161 CA THR A 86 68.376 -6.116 6.631 1.00 0.00 C ATOM 1162 C THR A 86 67.745 -6.209 5.246 1.00 0.00 C ATOM 1163 O THR A 86 66.611 -5.823 5.043 1.00 0.00 O ATOM 1164 CB THR A 86 68.010 -7.356 7.453 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.236 -8.520 6.669 1.00 0.00 O ATOM 1166 CG2 THR A 86 66.537 -7.293 7.860 1.00 0.00 C ATOM 0 H THR A 86 67.250 -4.311 6.791 1.00 0.00 H new ATOM 0 HA THR A 86 69.455 -6.026 6.507 1.00 0.00 H new ATOM 0 HB THR A 86 68.627 -7.391 8.351 1.00 0.00 H new ATOM 0 HG1 THR A 86 68.005 -9.316 7.191 1.00 0.00 H new ATOM 0 HG21 THR A 86 66.283 -8.177 8.444 1.00 0.00 H new ATOM 0 HG22 THR A 86 66.363 -6.400 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 86 65.914 -7.257 6.966 1.00 0.00 H new ATOM 1174 N PHE A 87 68.463 -6.727 4.294 1.00 0.00 N ATOM 1175 CA PHE A 87 67.886 -6.854 2.925 1.00 0.00 C ATOM 1176 C PHE A 87 67.935 -8.322 2.490 1.00 0.00 C ATOM 1177 O PHE A 87 68.868 -9.037 2.796 1.00 0.00 O ATOM 1178 CB PHE A 87 68.761 -6.002 1.989 1.00 0.00 C ATOM 1179 CG PHE A 87 69.395 -4.843 2.726 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.651 -4.096 3.651 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.734 -4.514 2.477 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.248 -3.023 4.326 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.328 -3.443 3.152 1.00 0.00 C ATOM 1184 CZ PHE A 87 70.587 -2.698 4.077 1.00 0.00 C ATOM 0 H PHE A 87 69.419 -7.067 4.400 1.00 0.00 H new ATOM 0 HA PHE A 87 66.849 -6.519 2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.540 -6.625 1.550 1.00 0.00 H new ATOM 0 HB3 PHE A 87 68.154 -5.623 1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.618 -4.348 3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 87 71.307 -5.088 1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.676 -2.447 5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.360 -3.190 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 87 71.048 -1.872 4.599 1.00 0.00 H new ATOM 1194 N SER A 88 66.939 -8.778 1.783 1.00 0.00 N ATOM 1195 CA SER A 88 66.935 -10.200 1.336 1.00 0.00 C ATOM 1196 C SER A 88 66.843 -10.273 -0.189 1.00 0.00 C ATOM 1197 O SER A 88 66.649 -11.327 -0.759 1.00 0.00 O ATOM 1198 CB SER A 88 65.691 -10.815 1.975 1.00 0.00 C ATOM 1199 OG SER A 88 65.929 -12.193 2.235 1.00 0.00 O ATOM 0 H SER A 88 66.129 -8.229 1.495 1.00 0.00 H new ATOM 0 HA SER A 88 67.845 -10.726 1.627 1.00 0.00 H new ATOM 0 HB2 SER A 88 65.449 -10.295 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 88 64.833 -10.701 1.312 1.00 0.00 H new ATOM 0 HG SER A 88 65.133 -12.590 2.646 1.00 0.00 H new ATOM 1205 N ALA A 89 66.979 -9.158 -0.853 1.00 0.00 N ATOM 1206 CA ALA A 89 66.897 -9.166 -2.340 1.00 0.00 C ATOM 1207 C ALA A 89 65.488 -9.567 -2.787 1.00 0.00 C ATOM 1208 O ALA A 89 65.286 -10.614 -3.369 1.00 0.00 O ATOM 1209 CB ALA A 89 67.925 -10.207 -2.789 1.00 0.00 C ATOM 0 H ALA A 89 67.143 -8.244 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 89 67.099 -8.186 -2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.925 -10.272 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 89 68.916 -9.913 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 89 67.667 -11.178 -2.367 1.00 0.00 H new ATOM 1215 N ASN A 90 64.512 -8.741 -2.518 1.00 0.00 N ATOM 1216 CA ASN A 90 63.115 -9.074 -2.925 1.00 0.00 C ATOM 1217 C ASN A 90 62.744 -8.317 -4.202 1.00 0.00 C ATOM 1218 O ASN A 90 63.368 -7.303 -4.466 1.00 0.00 O ATOM 1219 CB ASN A 90 62.236 -8.621 -1.755 1.00 0.00 C ATOM 1220 CG ASN A 90 60.768 -8.927 -2.066 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.169 -9.784 -1.445 1.00 0.00 O ATOM 1222 ND2 ASN A 90 60.158 -8.259 -3.006 1.00 0.00 N ATOM 1223 OXT ASN A 90 61.843 -8.763 -4.893 1.00 0.00 O ATOM 0 H ASN A 90 64.622 -7.850 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 90 62.990 -10.136 -3.137 1.00 0.00 H new ATOM 0 HB2 ASN A 90 62.539 -9.132 -0.841 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.366 -7.553 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 90 59.180 -8.456 -3.219 1.00 0.00 H new ATOM 0 HD22 ASN A 90 60.659 -7.540 -3.528 1.00 0.00 H new TER 1230 ASN A 90