USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=34 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 65 SER OG : rot -64:sc= 1.02 USER MOD Set 1.2: A 66 THR OG1 : rot 18:sc= -0.421 USER MOD Set 2.1: A 58 SER OG : rot 180:sc= -2.13! USER MOD Set 2.2: A 86 THR OG1 : rot -150:sc= -0.473 USER MOD Set 3.1: A 35 THR OG1 : rot 92:sc= 1.71 USER MOD Set 3.2: A 50 SER OG : rot 25:sc= 0.351 USER MOD Set 4.1: A 12 SER OG : rot -96:sc= 2.06 USER MOD Set 4.2: A 14 ASN : amide:sc= -0.994 K(o=1.1,f=-10!) 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 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -3.57! C(o=-7.7!,f=-3.6!) USER MOD Single : A 7 THR OG1 : rot 98:sc= 1.31 USER MOD Single : A 8 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.0038) USER MOD Single : A 9 SER OG : rot 130:sc= 0.0405 USER MOD Single : A 10 GLN :FLIP amide:sc= -1.4! F(o=-1.9,f=-1.4!) USER MOD Single : A 15 SER OG : rot -86:sc= -2.92! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.204 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.898 USER MOD Single : A 23 THR OG1 : rot -63:sc= 1.04 USER MOD Single : A 24 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.67) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -130:sc= -3.42! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A 38 THR OG1 : rot -23:sc= 0.139! USER MOD Single : A 40 SER OG : rot -77:sc= -0.422 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.189 USER MOD Single : A 51 THR OG1 : rot 68:sc= 0.767 USER MOD Single : A 52 SER OG : rot 43:sc= -0.0419 USER MOD Single : A 53 THR OG1 : rot -64:sc= -1.21! USER MOD Single : A 55 SER OG : rot -83:sc= 0.787 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 77 SER OG : rot 174:sc= -1.69! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -5.35! C(o=-5.3!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 44.035 9.900 2.761 1.00 0.00 N ATOM 2 CA ASP A 1 45.468 9.568 2.998 1.00 0.00 C ATOM 3 C ASP A 1 45.579 8.364 3.940 1.00 0.00 C ATOM 4 O ASP A 1 44.656 7.584 4.070 1.00 0.00 O ATOM 5 CB ASP A 1 46.061 10.821 3.643 1.00 0.00 C ATOM 6 CG ASP A 1 46.891 11.581 2.607 1.00 0.00 C ATOM 7 OD1 ASP A 1 47.906 11.050 2.187 1.00 0.00 O ATOM 8 OD2 ASP A 1 46.498 12.679 2.252 1.00 0.00 O ATOM 0 H1 ASP A 1 43.969 10.717 2.121 1.00 0.00 H new ATOM 0 H2 ASP A 1 43.556 9.084 2.330 1.00 0.00 H new ATOM 0 H3 ASP A 1 43.578 10.131 3.666 1.00 0.00 H new ATOM 0 HA ASP A 1 45.992 9.300 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 1 45.264 11.459 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 1 46.684 10.545 4.494 1.00 0.00 H new ATOM 15 N GLY A 2 46.698 8.197 4.595 1.00 0.00 N ATOM 16 CA GLY A 2 46.847 7.032 5.515 1.00 0.00 C ATOM 17 C GLY A 2 47.369 7.499 6.876 1.00 0.00 C ATOM 18 O GLY A 2 46.926 8.493 7.416 1.00 0.00 O ATOM 0 H GLY A 2 47.509 8.812 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 2 45.887 6.531 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 2 47.534 6.304 5.084 1.00 0.00 H new ATOM 22 N SER A 3 48.309 6.782 7.436 1.00 0.00 N ATOM 23 CA SER A 3 48.862 7.172 8.766 1.00 0.00 C ATOM 24 C SER A 3 49.565 8.532 8.669 1.00 0.00 C ATOM 25 O SER A 3 49.724 9.230 9.651 1.00 0.00 O ATOM 26 CB SER A 3 49.862 6.068 9.113 1.00 0.00 C ATOM 27 OG SER A 3 49.156 4.866 9.391 1.00 0.00 O ATOM 0 H SER A 3 48.718 5.941 7.028 1.00 0.00 H new ATOM 0 HA SER A 3 48.087 7.273 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 3 50.553 5.914 8.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 50.459 6.361 9.977 1.00 0.00 H new ATOM 0 HG SER A 3 49.794 4.156 9.612 1.00 0.00 H new ATOM 33 N CYS A 4 49.978 8.911 7.492 1.00 0.00 N ATOM 34 CA CYS A 4 50.666 10.226 7.316 1.00 0.00 C ATOM 35 C CYS A 4 51.180 10.349 5.880 1.00 0.00 C ATOM 36 O CYS A 4 50.971 11.346 5.218 1.00 0.00 O ATOM 37 CB CYS A 4 51.831 10.231 8.315 1.00 0.00 C ATOM 38 SG CYS A 4 52.632 8.606 8.360 1.00 0.00 S ATOM 0 H CYS A 4 49.869 8.365 6.638 1.00 0.00 H new ATOM 0 HA CYS A 4 49.996 11.067 7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 4 52.557 10.994 8.033 1.00 0.00 H new ATOM 0 HB3 CYS A 4 51.465 10.491 9.308 1.00 0.00 H new ATOM 43 N THR A 5 51.839 9.334 5.393 1.00 0.00 N ATOM 44 CA THR A 5 52.359 9.371 3.996 1.00 0.00 C ATOM 45 C THR A 5 52.182 7.986 3.361 1.00 0.00 C ATOM 46 O THR A 5 53.018 7.114 3.495 1.00 0.00 O ATOM 47 CB THR A 5 53.841 9.771 4.133 1.00 0.00 C ATOM 48 OG1 THR A 5 53.976 11.157 3.845 1.00 0.00 O ATOM 49 CG2 THR A 5 54.728 8.971 3.168 1.00 0.00 C ATOM 0 H THR A 5 52.041 8.475 5.905 1.00 0.00 H new ATOM 0 HA THR A 5 51.834 10.076 3.351 1.00 0.00 H new ATOM 0 HB THR A 5 54.161 9.556 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 5 54.916 11.419 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 5 55.767 9.277 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 5 54.635 7.907 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 5 54.412 9.160 2.142 1.00 0.00 H new ATOM 57 N ASN A 6 51.090 7.775 2.681 1.00 0.00 N ATOM 58 CA ASN A 6 50.852 6.448 2.048 1.00 0.00 C ATOM 59 C ASN A 6 49.468 6.421 1.401 1.00 0.00 C ATOM 60 O ASN A 6 48.458 6.444 2.075 1.00 0.00 O ATOM 61 CB ASN A 6 50.921 5.442 3.197 1.00 0.00 C ATOM 62 CG ASN A 6 51.876 4.309 2.823 1.00 0.00 C ATOM 63 OD1 ASN A 6 51.632 3.101 3.252 1.00 0.00 O flip ATOM 64 ND2 ASN A 6 52.854 4.523 2.135 1.00 0.00 N flip ATOM 0 H ASN A 6 50.352 8.464 2.536 1.00 0.00 H new ATOM 0 HA ASN A 6 51.579 6.225 1.267 1.00 0.00 H new ATOM 0 HB2 ASN A 6 51.263 5.935 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 6 49.929 5.042 3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 6 53.045 5.467 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 6 53.484 3.759 1.893 1.00 0.00 H new ATOM 71 N THR A 7 49.414 6.371 0.100 1.00 0.00 N ATOM 72 CA THR A 7 48.092 6.342 -0.587 1.00 0.00 C ATOM 73 C THR A 7 47.755 4.916 -1.025 1.00 0.00 C ATOM 74 O THR A 7 48.324 4.395 -1.963 1.00 0.00 O ATOM 75 CB THR A 7 48.259 7.259 -1.799 1.00 0.00 C ATOM 76 OG1 THR A 7 49.535 7.040 -2.384 1.00 0.00 O ATOM 77 CG2 THR A 7 48.140 8.717 -1.351 1.00 0.00 C ATOM 0 H THR A 7 50.226 6.349 -0.517 1.00 0.00 H new ATOM 0 HA THR A 7 47.279 6.670 0.061 1.00 0.00 H new ATOM 0 HB THR A 7 47.484 7.042 -2.534 1.00 0.00 H new ATOM 0 HG1 THR A 7 49.445 6.434 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 7 48.259 9.373 -2.213 1.00 0.00 H new ATOM 0 HG22 THR A 7 47.160 8.881 -0.902 1.00 0.00 H new ATOM 0 HG23 THR A 7 48.916 8.937 -0.618 1.00 0.00 H new ATOM 85 N ASN A 8 46.828 4.284 -0.356 1.00 0.00 N ATOM 86 CA ASN A 8 46.443 2.892 -0.733 1.00 0.00 C ATOM 87 C ASN A 8 47.576 1.910 -0.408 1.00 0.00 C ATOM 88 O ASN A 8 47.526 0.752 -0.772 1.00 0.00 O ATOM 89 CB ASN A 8 46.194 2.942 -2.242 1.00 0.00 C ATOM 90 CG ASN A 8 44.765 2.486 -2.539 1.00 0.00 C ATOM 91 OD1 ASN A 8 44.055 3.125 -3.292 1.00 0.00 O ATOM 92 ND2 ASN A 8 44.309 1.403 -1.973 1.00 0.00 N ATOM 0 H ASN A 8 46.319 4.673 0.438 1.00 0.00 H new ATOM 0 HA ASN A 8 45.566 2.550 -0.184 1.00 0.00 H new ATOM 0 HB2 ASN A 8 46.348 3.955 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 8 46.907 2.301 -2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 8 43.356 1.091 -2.162 1.00 0.00 H new ATOM 0 HD22 ASN A 8 44.905 0.868 -1.342 1.00 0.00 H new ATOM 99 N SER A 9 48.596 2.359 0.274 1.00 0.00 N ATOM 100 CA SER A 9 49.725 1.442 0.615 1.00 0.00 C ATOM 101 C SER A 9 49.754 1.170 2.122 1.00 0.00 C ATOM 102 O SER A 9 48.849 1.531 2.848 1.00 0.00 O ATOM 103 CB SER A 9 50.985 2.195 0.189 1.00 0.00 C ATOM 104 OG SER A 9 51.523 1.588 -0.978 1.00 0.00 O ATOM 0 H SER A 9 48.697 3.317 0.609 1.00 0.00 H new ATOM 0 HA SER A 9 49.634 0.476 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 9 50.749 3.241 -0.007 1.00 0.00 H new ATOM 0 HB3 SER A 9 51.721 2.180 0.993 1.00 0.00 H new ATOM 0 HG SER A 9 51.693 2.275 -1.656 1.00 0.00 H new ATOM 110 N GLN A 10 50.796 0.541 2.596 1.00 0.00 N ATOM 111 CA GLN A 10 50.902 0.251 4.056 1.00 0.00 C ATOM 112 C GLN A 10 52.355 0.429 4.502 1.00 0.00 C ATOM 113 O GLN A 10 53.189 -0.433 4.303 1.00 0.00 O ATOM 114 CB GLN A 10 50.462 -1.206 4.216 1.00 0.00 C ATOM 115 CG GLN A 10 49.628 -1.349 5.492 1.00 0.00 C ATOM 116 CD GLN A 10 50.197 -2.478 6.353 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.676 -2.204 7.535 1.00 0.00 O flip ATOM 118 NE2 GLN A 10 50.207 -3.622 5.945 1.00 0.00 N flip ATOM 0 H GLN A 10 51.581 0.214 2.033 1.00 0.00 H new ATOM 0 HA GLN A 10 50.288 0.918 4.661 1.00 0.00 H new ATOM 0 HB2 GLN A 10 49.878 -1.518 3.350 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.334 -1.858 4.264 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.636 -0.413 6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.589 -1.560 5.238 1.00 0.00 H new ATOM 0 HE21 GLN A 10 49.833 -3.837 5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 10 50.590 -4.368 6.526 1.00 0.00 H new ATOM 127 N LEU A 11 52.666 1.549 5.092 1.00 0.00 N ATOM 128 CA LEU A 11 54.066 1.796 5.535 1.00 0.00 C ATOM 129 C LEU A 11 54.244 1.354 6.990 1.00 0.00 C ATOM 130 O LEU A 11 54.930 1.990 7.762 1.00 0.00 O ATOM 131 CB LEU A 11 54.244 3.315 5.395 1.00 0.00 C ATOM 132 CG LEU A 11 55.722 3.739 5.526 1.00 0.00 C ATOM 133 CD1 LEU A 11 56.674 2.567 5.249 1.00 0.00 C ATOM 134 CD2 LEU A 11 56.004 4.858 4.521 1.00 0.00 C ATOM 0 H LEU A 11 52.010 2.305 5.287 1.00 0.00 H new ATOM 0 HA LEU A 11 54.801 1.241 4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 11 53.859 3.637 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 11 53.653 3.821 6.158 1.00 0.00 H new ATOM 0 HG LEU A 11 55.892 4.079 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 11 57.706 2.904 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 11 56.482 1.766 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 11 56.511 2.198 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 57.046 5.167 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 11 55.811 4.497 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 11 55.356 5.708 4.732 1.00 0.00 H new ATOM 146 N SER A 12 53.625 0.270 7.372 1.00 0.00 N ATOM 147 CA SER A 12 53.754 -0.204 8.779 1.00 0.00 C ATOM 148 C SER A 12 53.269 0.887 9.737 1.00 0.00 C ATOM 149 O SER A 12 53.317 2.061 9.428 1.00 0.00 O ATOM 150 CB SER A 12 55.246 -0.473 8.972 1.00 0.00 C ATOM 151 OG SER A 12 55.449 -1.131 10.217 1.00 0.00 O ATOM 0 H SER A 12 53.036 -0.307 6.771 1.00 0.00 H new ATOM 0 HA SER A 12 53.157 -1.094 8.979 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.624 -1.089 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.802 0.464 8.948 1.00 0.00 H new ATOM 0 HG SER A 12 55.684 -0.470 10.902 1.00 0.00 H new ATOM 157 N ALA A 13 52.796 0.514 10.891 1.00 0.00 N ATOM 158 CA ALA A 13 52.303 1.540 11.853 1.00 0.00 C ATOM 159 C ALA A 13 53.447 2.031 12.745 1.00 0.00 C ATOM 160 O ALA A 13 53.227 2.538 13.827 1.00 0.00 O ATOM 161 CB ALA A 13 51.237 0.821 12.680 1.00 0.00 C ATOM 0 H ALA A 13 52.729 -0.452 11.211 1.00 0.00 H new ATOM 0 HA ALA A 13 51.903 2.421 11.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 50.821 1.510 13.416 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.442 0.470 12.022 1.00 0.00 H new ATOM 0 HB3 ALA A 13 51.686 -0.030 13.192 1.00 0.00 H new ATOM 167 N ASN A 14 54.667 1.890 12.301 1.00 0.00 N ATOM 168 CA ASN A 14 55.815 2.356 13.132 1.00 0.00 C ATOM 169 C ASN A 14 57.052 2.624 12.264 1.00 0.00 C ATOM 170 O ASN A 14 58.160 2.684 12.758 1.00 0.00 O ATOM 171 CB ASN A 14 56.085 1.217 14.114 1.00 0.00 C ATOM 172 CG ASN A 14 56.283 -0.089 13.342 1.00 0.00 C ATOM 173 OD1 ASN A 14 56.760 -0.079 12.224 1.00 0.00 O ATOM 174 ND2 ASN A 14 55.937 -1.219 13.893 1.00 0.00 N ATOM 0 H ASN A 14 54.918 1.475 11.404 1.00 0.00 H new ATOM 0 HA ASN A 14 55.589 3.293 13.641 1.00 0.00 H new ATOM 0 HB2 ASN A 14 56.972 1.438 14.708 1.00 0.00 H new ATOM 0 HB3 ASN A 14 55.252 1.118 14.810 1.00 0.00 H new ATOM 0 HD21 ASN A 14 56.067 -2.094 13.386 1.00 0.00 H new ATOM 0 HD22 ASN A 14 55.537 -1.227 14.831 1.00 0.00 H new ATOM 181 N SER A 15 56.878 2.803 10.979 1.00 0.00 N ATOM 182 CA SER A 15 58.057 3.087 10.104 1.00 0.00 C ATOM 183 C SER A 15 58.129 4.590 9.822 1.00 0.00 C ATOM 184 O SER A 15 57.513 5.385 10.505 1.00 0.00 O ATOM 185 CB SER A 15 57.813 2.305 8.814 1.00 0.00 C ATOM 186 OG SER A 15 56.971 3.065 7.958 1.00 0.00 O ATOM 0 H SER A 15 55.978 2.765 10.500 1.00 0.00 H new ATOM 0 HA SER A 15 58.999 2.794 10.567 1.00 0.00 H new ATOM 0 HB2 SER A 15 58.760 2.094 8.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 57.350 1.344 9.039 1.00 0.00 H new ATOM 0 HG SER A 15 56.033 2.897 8.188 1.00 0.00 H new ATOM 192 N LYS A 16 58.863 4.988 8.822 1.00 0.00 N ATOM 193 CA LYS A 16 58.956 6.443 8.503 1.00 0.00 C ATOM 194 C LYS A 16 58.188 6.732 7.215 1.00 0.00 C ATOM 195 O LYS A 16 58.567 6.297 6.146 1.00 0.00 O ATOM 196 CB LYS A 16 60.447 6.728 8.316 1.00 0.00 C ATOM 197 CG LYS A 16 60.666 8.236 8.153 1.00 0.00 C ATOM 198 CD LYS A 16 61.013 8.850 9.511 1.00 0.00 C ATOM 199 CE LYS A 16 61.298 10.345 9.347 1.00 0.00 C ATOM 200 NZ LYS A 16 62.113 10.705 10.538 1.00 0.00 N ATOM 0 H LYS A 16 59.402 4.373 8.212 1.00 0.00 H new ATOM 0 HA LYS A 16 58.529 7.068 9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.008 6.360 9.175 1.00 0.00 H new ATOM 0 HB3 LYS A 16 60.821 6.199 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.470 8.423 7.441 1.00 0.00 H new ATOM 0 HG3 LYS A 16 59.768 8.703 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 16 60.189 8.702 10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 16 61.883 8.349 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 16 61.838 10.546 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 16 60.374 10.923 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 62.352 11.717 10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 61.570 10.507 11.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 62.988 10.143 10.543 1.00 0.00 H new ATOM 214 N CYS A 17 57.106 7.452 7.308 1.00 0.00 N ATOM 215 CA CYS A 17 56.317 7.749 6.083 1.00 0.00 C ATOM 216 C CYS A 17 56.680 9.131 5.533 1.00 0.00 C ATOM 217 O CYS A 17 56.043 10.124 5.827 1.00 0.00 O ATOM 218 CB CYS A 17 54.854 7.688 6.529 1.00 0.00 C ATOM 219 SG CYS A 17 54.531 8.965 7.772 1.00 0.00 S ATOM 0 H CYS A 17 56.736 7.845 8.174 1.00 0.00 H new ATOM 0 HA CYS A 17 56.517 7.042 5.278 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.197 7.830 5.671 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.632 6.704 6.941 1.00 0.00 H new ATOM 224 N GLU A 18 57.699 9.200 4.725 1.00 0.00 N ATOM 225 CA GLU A 18 58.099 10.509 4.140 1.00 0.00 C ATOM 226 C GLU A 18 57.727 10.538 2.654 1.00 0.00 C ATOM 227 O GLU A 18 58.077 9.650 1.903 1.00 0.00 O ATOM 228 CB GLU A 18 59.615 10.588 4.325 1.00 0.00 C ATOM 229 CG GLU A 18 59.968 11.879 5.066 1.00 0.00 C ATOM 230 CD GLU A 18 60.409 12.939 4.056 1.00 0.00 C ATOM 231 OE1 GLU A 18 59.547 13.616 3.523 1.00 0.00 O ATOM 232 OE2 GLU A 18 61.602 13.053 3.830 1.00 0.00 O ATOM 0 H GLU A 18 58.273 8.405 4.444 1.00 0.00 H new ATOM 0 HA GLU A 18 57.599 11.353 4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 18 59.970 9.724 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 60.113 10.564 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 18 59.106 12.235 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 18 60.765 11.692 5.785 1.00 0.00 H new ATOM 239 N LYS A 19 57.010 11.543 2.227 1.00 0.00 N ATOM 240 CA LYS A 19 56.603 11.616 0.793 1.00 0.00 C ATOM 241 C LYS A 19 55.566 10.533 0.485 1.00 0.00 C ATOM 242 O LYS A 19 55.825 9.353 0.626 1.00 0.00 O ATOM 243 CB LYS A 19 57.883 11.375 -0.005 1.00 0.00 C ATOM 244 CG LYS A 19 57.893 12.283 -1.236 1.00 0.00 C ATOM 245 CD LYS A 19 59.326 12.429 -1.747 1.00 0.00 C ATOM 246 CE LYS A 19 59.467 13.748 -2.511 1.00 0.00 C ATOM 247 NZ LYS A 19 60.563 13.508 -3.492 1.00 0.00 N ATOM 0 H LYS A 19 56.688 12.317 2.809 1.00 0.00 H new ATOM 0 HA LYS A 19 56.149 12.575 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 19 58.755 11.577 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.943 10.330 -0.310 1.00 0.00 H new ATOM 0 HG2 LYS A 19 57.258 11.863 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 19 57.484 13.261 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 60.025 12.405 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 19 59.578 11.592 -2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.538 14.014 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 19 59.712 14.570 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 60.720 14.368 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 61.437 13.263 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 60.299 12.725 -4.123 1.00 0.00 H new ATOM 261 N SER A 20 54.392 10.923 0.072 1.00 0.00 N ATOM 262 CA SER A 20 53.337 9.916 -0.238 1.00 0.00 C ATOM 263 C SER A 20 53.827 8.946 -1.316 1.00 0.00 C ATOM 264 O SER A 20 54.563 9.315 -2.209 1.00 0.00 O ATOM 265 CB SER A 20 52.143 10.725 -0.750 1.00 0.00 C ATOM 266 OG SER A 20 52.371 12.109 -0.517 1.00 0.00 O ATOM 0 H SER A 20 54.117 11.896 -0.064 1.00 0.00 H new ATOM 0 HA SER A 20 53.077 9.317 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 20 51.998 10.544 -1.815 1.00 0.00 H new ATOM 0 HB3 SER A 20 51.231 10.406 -0.245 1.00 0.00 H new ATOM 0 HG SER A 20 51.607 12.626 -0.847 1.00 0.00 H new ATOM 272 N THR A 21 53.420 7.709 -1.238 1.00 0.00 N ATOM 273 CA THR A 21 53.855 6.714 -2.259 1.00 0.00 C ATOM 274 C THR A 21 52.851 6.674 -3.415 1.00 0.00 C ATOM 275 O THR A 21 52.245 7.670 -3.760 1.00 0.00 O ATOM 276 CB THR A 21 53.871 5.374 -1.522 1.00 0.00 C ATOM 277 OG1 THR A 21 54.395 4.369 -2.378 1.00 0.00 O ATOM 278 CG2 THR A 21 52.446 5.003 -1.109 1.00 0.00 C ATOM 0 H THR A 21 52.805 7.344 -0.511 1.00 0.00 H new ATOM 0 HA THR A 21 54.827 6.958 -2.687 1.00 0.00 H new ATOM 0 HB THR A 21 54.497 5.455 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 21 54.407 3.510 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 21 52.456 4.048 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 21 52.045 5.774 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 21 51.819 4.922 -1.997 1.00 0.00 H new ATOM 286 N LEU A 22 52.666 5.527 -4.008 1.00 0.00 N ATOM 287 CA LEU A 22 51.695 5.415 -5.135 1.00 0.00 C ATOM 288 C LEU A 22 50.494 4.571 -4.697 1.00 0.00 C ATOM 289 O LEU A 22 49.463 5.090 -4.319 1.00 0.00 O ATOM 290 CB LEU A 22 52.469 4.717 -6.255 1.00 0.00 C ATOM 291 CG LEU A 22 53.013 5.766 -7.227 1.00 0.00 C ATOM 292 CD1 LEU A 22 54.410 6.203 -6.784 1.00 0.00 C ATOM 293 CD2 LEU A 22 53.090 5.164 -8.632 1.00 0.00 C ATOM 0 H LEU A 22 53.145 4.661 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 22 51.308 6.382 -5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 22 53.289 4.133 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 22 51.818 4.020 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 22 52.350 6.631 -7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 22 54.795 6.950 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 22 54.357 6.631 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 22 55.075 5.340 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 22 53.477 5.909 -9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.753 4.299 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 22 52.095 4.854 -8.950 1.00 0.00 H new ATOM 305 N THR A 23 50.621 3.272 -4.738 1.00 0.00 N ATOM 306 CA THR A 23 49.489 2.399 -4.314 1.00 0.00 C ATOM 307 C THR A 23 49.881 0.924 -4.446 1.00 0.00 C ATOM 308 O THR A 23 49.062 0.082 -4.756 1.00 0.00 O ATOM 309 CB THR A 23 48.340 2.737 -5.266 1.00 0.00 C ATOM 310 OG1 THR A 23 47.337 1.737 -5.166 1.00 0.00 O ATOM 311 CG2 THR A 23 48.861 2.797 -6.702 1.00 0.00 C ATOM 0 H THR A 23 51.459 2.778 -5.046 1.00 0.00 H new ATOM 0 HA THR A 23 49.212 2.563 -3.273 1.00 0.00 H new ATOM 0 HB THR A 23 47.919 3.705 -4.996 1.00 0.00 H new ATOM 0 HG1 THR A 23 47.706 0.874 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 23 48.040 3.038 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 23 49.631 3.565 -6.778 1.00 0.00 H new ATOM 0 HG23 THR A 23 49.284 1.831 -6.976 1.00 0.00 H new ATOM 319 N ASN A 24 51.127 0.607 -4.216 1.00 0.00 N ATOM 320 CA ASN A 24 51.563 -0.815 -4.332 1.00 0.00 C ATOM 321 C ASN A 24 52.832 -1.057 -3.508 1.00 0.00 C ATOM 322 O ASN A 24 53.859 -1.433 -4.034 1.00 0.00 O ATOM 323 CB ASN A 24 51.850 -1.021 -5.822 1.00 0.00 C ATOM 324 CG ASN A 24 50.617 -1.615 -6.505 1.00 0.00 C ATOM 325 OD1 ASN A 24 50.099 -2.628 -6.080 1.00 0.00 O ATOM 326 ND2 ASN A 24 50.124 -1.024 -7.562 1.00 0.00 N ATOM 0 H ASN A 24 51.859 1.268 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 24 50.807 -1.506 -3.958 1.00 0.00 H new ATOM 0 HB2 ASN A 24 52.113 -0.071 -6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 24 52.704 -1.686 -5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 24 49.305 -1.414 -8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 24 50.558 -0.173 -7.920 1.00 0.00 H new ATOM 333 N CYS A 25 52.770 -0.853 -2.220 1.00 0.00 N ATOM 334 CA CYS A 25 53.981 -1.080 -1.378 1.00 0.00 C ATOM 335 C CYS A 25 53.579 -1.389 0.061 1.00 0.00 C ATOM 336 O CYS A 25 53.086 -0.544 0.780 1.00 0.00 O ATOM 337 CB CYS A 25 54.766 0.227 -1.437 1.00 0.00 C ATOM 338 SG CYS A 25 55.949 0.168 -2.807 1.00 0.00 S ATOM 0 H CYS A 25 51.940 -0.541 -1.716 1.00 0.00 H new ATOM 0 HA CYS A 25 54.569 -1.926 -1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 25 54.084 1.067 -1.569 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.292 0.389 -0.496 1.00 0.00 H new ATOM 343 N TYR A 26 53.805 -2.595 0.487 1.00 0.00 N ATOM 344 CA TYR A 26 53.460 -2.971 1.885 1.00 0.00 C ATOM 345 C TYR A 26 54.735 -2.952 2.727 1.00 0.00 C ATOM 346 O TYR A 26 55.739 -3.525 2.357 1.00 0.00 O ATOM 347 CB TYR A 26 52.886 -4.385 1.794 1.00 0.00 C ATOM 348 CG TYR A 26 51.386 -4.334 1.973 1.00 0.00 C ATOM 349 CD1 TYR A 26 50.556 -4.099 0.868 1.00 0.00 C ATOM 350 CD2 TYR A 26 50.826 -4.526 3.241 1.00 0.00 C ATOM 351 CE1 TYR A 26 49.167 -4.055 1.034 1.00 0.00 C ATOM 352 CE2 TYR A 26 49.436 -4.483 3.407 1.00 0.00 C ATOM 353 CZ TYR A 26 48.606 -4.247 2.303 1.00 0.00 C ATOM 354 OH TYR A 26 47.236 -4.203 2.463 1.00 0.00 O ATOM 0 H TYR A 26 54.216 -3.342 -0.074 1.00 0.00 H new ATOM 0 HA TYR A 26 52.746 -2.289 2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.133 -4.827 0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 26 53.333 -5.020 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 26 50.988 -3.952 -0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 26 51.466 -4.707 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 26 48.527 -3.873 0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 26 49.004 -4.632 4.386 1.00 0.00 H new ATOM 0 HH TYR A 26 47.012 -4.357 3.404 1.00 0.00 H new ATOM 364 N VAL A 27 54.720 -2.283 3.842 1.00 0.00 N ATOM 365 CA VAL A 27 55.956 -2.225 4.670 1.00 0.00 C ATOM 366 C VAL A 27 55.681 -2.699 6.099 1.00 0.00 C ATOM 367 O VAL A 27 54.554 -2.719 6.554 1.00 0.00 O ATOM 368 CB VAL A 27 56.359 -0.748 4.675 1.00 0.00 C ATOM 369 CG1 VAL A 27 57.815 -0.606 5.126 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.201 -0.163 3.268 1.00 0.00 C ATOM 0 H VAL A 27 53.916 -1.778 4.215 1.00 0.00 H new ATOM 0 HA VAL A 27 56.738 -2.871 4.271 1.00 0.00 H new ATOM 0 HB VAL A 27 55.714 -0.207 5.367 1.00 0.00 H new ATOM 0 HG11 VAL A 27 58.094 0.448 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 27 57.926 -1.012 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.463 -1.153 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.489 0.888 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.840 -0.709 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.162 -0.252 2.952 1.00 0.00 H new ATOM 380 N ASP A 28 56.712 -3.063 6.811 1.00 0.00 N ATOM 381 CA ASP A 28 56.535 -3.524 8.217 1.00 0.00 C ATOM 382 C ASP A 28 57.780 -3.164 9.031 1.00 0.00 C ATOM 383 O ASP A 28 58.862 -3.651 8.771 1.00 0.00 O ATOM 384 CB ASP A 28 56.371 -5.044 8.122 1.00 0.00 C ATOM 385 CG ASP A 28 55.547 -5.544 9.310 1.00 0.00 C ATOM 386 OD1 ASP A 28 54.801 -4.752 9.861 1.00 0.00 O ATOM 387 OD2 ASP A 28 55.679 -6.707 9.650 1.00 0.00 O ATOM 0 H ASP A 28 57.676 -3.061 6.477 1.00 0.00 H new ATOM 0 HA ASP A 28 55.680 -3.060 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.878 -5.309 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 28 57.349 -5.526 8.115 1.00 0.00 H new ATOM 392 N LYS A 29 57.644 -2.307 10.008 1.00 0.00 N ATOM 393 CA LYS A 29 58.834 -1.918 10.820 1.00 0.00 C ATOM 394 C LYS A 29 59.968 -1.467 9.896 1.00 0.00 C ATOM 395 O LYS A 29 60.998 -2.105 9.810 1.00 0.00 O ATOM 396 CB LYS A 29 59.231 -3.187 11.574 1.00 0.00 C ATOM 397 CG LYS A 29 58.186 -3.482 12.649 1.00 0.00 C ATOM 398 CD LYS A 29 58.368 -4.910 13.169 1.00 0.00 C ATOM 399 CE LYS A 29 57.577 -5.084 14.467 1.00 0.00 C ATOM 400 NZ LYS A 29 58.539 -5.700 15.422 1.00 0.00 N ATOM 0 H LYS A 29 56.767 -1.862 10.278 1.00 0.00 H new ATOM 0 HA LYS A 29 58.623 -1.092 11.499 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.306 -4.026 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.213 -3.061 12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 58.284 -2.771 13.469 1.00 0.00 H new ATOM 0 HG3 LYS A 29 57.184 -3.359 12.239 1.00 0.00 H new ATOM 0 HD2 LYS A 29 58.025 -5.627 12.423 1.00 0.00 H new ATOM 0 HD3 LYS A 29 59.425 -5.113 13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 29 57.210 -4.127 14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 29 56.706 -5.722 14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 58.070 -5.851 16.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 58.866 -6.613 15.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 59.354 -5.067 15.551 1.00 0.00 H new ATOM 414 N SER A 30 59.785 -0.382 9.193 1.00 0.00 N ATOM 415 CA SER A 30 60.854 0.088 8.267 1.00 0.00 C ATOM 416 C SER A 30 61.102 1.587 8.428 1.00 0.00 C ATOM 417 O SER A 30 60.592 2.226 9.329 1.00 0.00 O ATOM 418 CB SER A 30 60.310 -0.199 6.872 1.00 0.00 C ATOM 419 OG SER A 30 59.678 -1.473 6.866 1.00 0.00 O ATOM 0 H SER A 30 58.945 0.197 9.220 1.00 0.00 H new ATOM 0 HA SER A 30 61.804 -0.409 8.463 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.599 0.574 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.119 -0.179 6.142 1.00 0.00 H new ATOM 0 HG SER A 30 60.014 -2.001 6.112 1.00 0.00 H new ATOM 425 N GLU A 31 61.876 2.149 7.542 1.00 0.00 N ATOM 426 CA GLU A 31 62.164 3.611 7.599 1.00 0.00 C ATOM 427 C GLU A 31 62.240 4.158 6.172 1.00 0.00 C ATOM 428 O GLU A 31 63.236 4.005 5.494 1.00 0.00 O ATOM 429 CB GLU A 31 63.521 3.726 8.297 1.00 0.00 C ATOM 430 CG GLU A 31 63.667 5.125 8.897 1.00 0.00 C ATOM 431 CD GLU A 31 64.691 5.927 8.089 1.00 0.00 C ATOM 432 OE1 GLU A 31 65.157 5.413 7.085 1.00 0.00 O ATOM 433 OE2 GLU A 31 64.989 7.040 8.488 1.00 0.00 O ATOM 0 H GLU A 31 62.326 1.653 6.773 1.00 0.00 H new ATOM 0 HA GLU A 31 61.398 4.176 8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 31 63.605 2.972 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 31 64.325 3.538 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 31 62.704 5.636 8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 31 63.985 5.054 9.937 1.00 0.00 H new ATOM 440 N VAL A 32 61.187 4.766 5.698 1.00 0.00 N ATOM 441 CA VAL A 32 61.195 5.285 4.303 1.00 0.00 C ATOM 442 C VAL A 32 61.340 6.809 4.267 1.00 0.00 C ATOM 443 O VAL A 32 60.897 7.514 5.152 1.00 0.00 O ATOM 444 CB VAL A 32 59.838 4.867 3.739 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.675 5.426 2.323 1.00 0.00 C ATOM 446 CG2 VAL A 32 59.751 3.338 3.703 1.00 0.00 C ATOM 0 H VAL A 32 60.323 4.925 6.216 1.00 0.00 H new ATOM 0 HA VAL A 32 62.035 4.893 3.730 1.00 0.00 H new ATOM 0 HB VAL A 32 59.044 5.261 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 32 58.706 5.126 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.735 6.514 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.468 5.036 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.783 3.038 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 32 60.545 2.943 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 32 59.862 2.943 4.713 1.00 0.00 H new ATOM 456 N TYR A 33 61.947 7.315 3.228 1.00 0.00 N ATOM 457 CA TYR A 33 62.122 8.788 3.086 1.00 0.00 C ATOM 458 C TYR A 33 61.586 9.214 1.715 1.00 0.00 C ATOM 459 O TYR A 33 60.611 8.672 1.235 1.00 0.00 O ATOM 460 CB TYR A 33 63.632 9.026 3.192 1.00 0.00 C ATOM 461 CG TYR A 33 63.896 10.143 4.175 1.00 0.00 C ATOM 462 CD1 TYR A 33 64.029 9.854 5.538 1.00 0.00 C ATOM 463 CD2 TYR A 33 64.008 11.466 3.725 1.00 0.00 C ATOM 464 CE1 TYR A 33 64.275 10.886 6.453 1.00 0.00 C ATOM 465 CE2 TYR A 33 64.253 12.498 4.640 1.00 0.00 C ATOM 466 CZ TYR A 33 64.387 12.208 6.004 1.00 0.00 C ATOM 467 OH TYR A 33 64.630 13.223 6.906 1.00 0.00 O ATOM 0 H TYR A 33 62.334 6.763 2.462 1.00 0.00 H new ATOM 0 HA TYR A 33 61.586 9.362 3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 33 64.133 8.114 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 33 64.040 9.283 2.215 1.00 0.00 H new ATOM 0 HD1 TYR A 33 63.942 8.835 5.885 1.00 0.00 H new ATOM 0 HD2 TYR A 33 63.905 11.689 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 33 64.378 10.662 7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 33 64.339 13.517 4.294 1.00 0.00 H new ATOM 0 HH TYR A 33 64.680 14.078 6.430 1.00 0.00 H new ATOM 477 N GLY A 34 62.207 10.164 1.071 1.00 0.00 N ATOM 478 CA GLY A 34 61.713 10.588 -0.271 1.00 0.00 C ATOM 479 C GLY A 34 61.906 9.437 -1.263 1.00 0.00 C ATOM 480 O GLY A 34 62.711 9.512 -2.170 1.00 0.00 O ATOM 0 H GLY A 34 63.029 10.662 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.660 10.863 -0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.255 11.471 -0.609 1.00 0.00 H new ATOM 484 N THR A 35 61.172 8.371 -1.095 1.00 0.00 N ATOM 485 CA THR A 35 61.309 7.205 -2.017 1.00 0.00 C ATOM 486 C THR A 35 60.011 7.011 -2.807 1.00 0.00 C ATOM 487 O THR A 35 58.953 7.450 -2.401 1.00 0.00 O ATOM 488 CB THR A 35 61.581 6.015 -1.088 1.00 0.00 C ATOM 489 OG1 THR A 35 62.966 5.972 -0.778 1.00 0.00 O ATOM 490 CG2 THR A 35 61.172 4.705 -1.766 1.00 0.00 C ATOM 0 H THR A 35 60.479 8.256 -0.355 1.00 0.00 H new ATOM 0 HA THR A 35 62.102 7.331 -2.754 1.00 0.00 H new ATOM 0 HB THR A 35 60.997 6.136 -0.175 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.133 6.478 0.044 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.371 3.870 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 35 60.108 4.734 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.745 4.576 -2.684 1.00 0.00 H new ATOM 498 N THR A 36 60.084 6.359 -3.936 1.00 0.00 N ATOM 499 CA THR A 36 58.849 6.145 -4.747 1.00 0.00 C ATOM 500 C THR A 36 58.474 4.662 -4.769 1.00 0.00 C ATOM 501 O THR A 36 59.217 3.814 -4.315 1.00 0.00 O ATOM 502 CB THR A 36 59.175 6.645 -6.164 1.00 0.00 C ATOM 503 OG1 THR A 36 58.346 5.967 -7.096 1.00 0.00 O ATOM 504 CG2 THR A 36 60.642 6.378 -6.508 1.00 0.00 C ATOM 0 H THR A 36 60.939 5.967 -4.331 1.00 0.00 H new ATOM 0 HA THR A 36 57.998 6.681 -4.326 1.00 0.00 H new ATOM 0 HB THR A 36 58.996 7.719 -6.208 1.00 0.00 H new ATOM 0 HG1 THR A 36 58.547 6.282 -8.002 1.00 0.00 H new ATOM 0 HG21 THR A 36 60.851 6.739 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 36 61.283 6.897 -5.796 1.00 0.00 H new ATOM 0 HG23 THR A 36 60.838 5.307 -6.459 1.00 0.00 H new ATOM 512 N CYS A 37 57.318 4.347 -5.284 1.00 0.00 N ATOM 513 CA CYS A 37 56.879 2.923 -5.329 1.00 0.00 C ATOM 514 C CYS A 37 56.318 2.583 -6.713 1.00 0.00 C ATOM 515 O CYS A 37 55.622 3.370 -7.324 1.00 0.00 O ATOM 516 CB CYS A 37 55.791 2.821 -4.259 1.00 0.00 C ATOM 517 SG CYS A 37 55.040 1.174 -4.305 1.00 0.00 S ATOM 0 H CYS A 37 56.656 5.016 -5.677 1.00 0.00 H new ATOM 0 HA CYS A 37 57.697 2.226 -5.147 1.00 0.00 H new ATOM 0 HB2 CYS A 37 56.218 3.009 -3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.030 3.583 -4.427 1.00 0.00 H new ATOM 522 N THR A 38 56.615 1.414 -7.211 1.00 0.00 N ATOM 523 CA THR A 38 56.103 1.019 -8.554 1.00 0.00 C ATOM 524 C THR A 38 56.037 -0.509 -8.663 1.00 0.00 C ATOM 525 O THR A 38 55.998 -1.062 -9.745 1.00 0.00 O ATOM 526 CB THR A 38 57.123 1.582 -9.544 1.00 0.00 C ATOM 527 OG1 THR A 38 57.306 2.972 -9.299 1.00 0.00 O ATOM 528 CG2 THR A 38 56.622 1.365 -10.975 1.00 0.00 C ATOM 0 H THR A 38 57.192 0.714 -6.745 1.00 0.00 H new ATOM 0 HA THR A 38 55.098 1.396 -8.743 1.00 0.00 H new ATOM 0 HB THR A 38 58.076 1.068 -9.418 1.00 0.00 H new ATOM 0 HG1 THR A 38 56.516 3.331 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 38 57.350 1.767 -11.680 1.00 0.00 H new ATOM 0 HG22 THR A 38 56.491 0.298 -11.157 1.00 0.00 H new ATOM 0 HG23 THR A 38 55.668 1.875 -11.108 1.00 0.00 H new ATOM 536 N GLY A 39 56.028 -1.193 -7.550 1.00 0.00 N ATOM 537 CA GLY A 39 55.969 -2.684 -7.591 1.00 0.00 C ATOM 538 C GLY A 39 57.030 -3.264 -6.655 1.00 0.00 C ATOM 539 O GLY A 39 57.982 -3.875 -7.089 1.00 0.00 O ATOM 0 H GLY A 39 56.059 -0.785 -6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.979 -3.027 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 39 56.135 -3.037 -8.609 1.00 0.00 H new ATOM 543 N SER A 40 56.875 -3.079 -5.373 1.00 0.00 N ATOM 544 CA SER A 40 57.883 -3.619 -4.412 1.00 0.00 C ATOM 545 C SER A 40 57.220 -3.923 -3.062 1.00 0.00 C ATOM 546 O SER A 40 56.034 -3.729 -2.882 1.00 0.00 O ATOM 547 CB SER A 40 58.912 -2.499 -4.257 1.00 0.00 C ATOM 548 OG SER A 40 58.928 -2.048 -2.909 1.00 0.00 O ATOM 0 H SER A 40 56.095 -2.578 -4.948 1.00 0.00 H new ATOM 0 HA SER A 40 58.333 -4.548 -4.762 1.00 0.00 H new ATOM 0 HB2 SER A 40 59.901 -2.858 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 40 58.668 -1.673 -4.925 1.00 0.00 H new ATOM 0 HG SER A 40 58.155 -1.467 -2.749 1.00 0.00 H new ATOM 554 N ARG A 41 57.987 -4.382 -2.108 1.00 0.00 N ATOM 555 CA ARG A 41 57.415 -4.683 -0.762 1.00 0.00 C ATOM 556 C ARG A 41 58.464 -4.409 0.319 1.00 0.00 C ATOM 557 O ARG A 41 59.624 -4.741 0.170 1.00 0.00 O ATOM 558 CB ARG A 41 57.055 -6.172 -0.795 1.00 0.00 C ATOM 559 CG ARG A 41 56.990 -6.721 0.636 1.00 0.00 C ATOM 560 CD ARG A 41 55.881 -6.007 1.415 1.00 0.00 C ATOM 561 NE ARG A 41 54.908 -7.082 1.766 1.00 0.00 N ATOM 562 CZ ARG A 41 55.034 -7.743 2.885 1.00 0.00 C ATOM 563 NH1 ARG A 41 55.928 -8.689 2.987 1.00 0.00 N ATOM 564 NH2 ARG A 41 54.268 -7.458 3.903 1.00 0.00 N ATOM 0 H ARG A 41 58.987 -4.562 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 41 56.545 -4.066 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 41 56.096 -6.313 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.798 -6.723 -1.373 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.800 -7.794 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.948 -6.577 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.274 -5.523 2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.411 -5.230 0.812 1.00 0.00 H new ATOM 0 HE ARG A 41 54.142 -7.301 1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.528 -8.912 2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 41 56.027 -9.205 3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 41 53.570 -6.718 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 41 54.367 -7.975 4.777 1.00 0.00 H new ATOM 578 N PHE A 42 58.066 -3.812 1.407 1.00 0.00 N ATOM 579 CA PHE A 42 59.052 -3.533 2.491 1.00 0.00 C ATOM 580 C PHE A 42 58.778 -4.421 3.708 1.00 0.00 C ATOM 581 O PHE A 42 57.708 -4.974 3.866 1.00 0.00 O ATOM 582 CB PHE A 42 58.855 -2.063 2.854 1.00 0.00 C ATOM 583 CG PHE A 42 59.610 -1.198 1.876 1.00 0.00 C ATOM 584 CD1 PHE A 42 59.402 -1.355 0.500 1.00 0.00 C ATOM 585 CD2 PHE A 42 60.516 -0.240 2.344 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.103 -0.554 -0.408 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.216 0.559 1.434 1.00 0.00 C ATOM 588 CZ PHE A 42 61.012 0.403 0.059 1.00 0.00 C ATOM 0 H PHE A 42 57.111 -3.507 1.593 1.00 0.00 H new ATOM 0 HA PHE A 42 60.073 -3.739 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.795 -1.812 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.208 -1.877 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 42 58.701 -2.094 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 42 60.674 -0.118 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 42 59.943 -0.674 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 42 61.916 1.298 1.794 1.00 0.00 H new ATOM 0 HZ PHE A 42 61.555 1.020 -0.642 1.00 0.00 H new ATOM 598 N ASP A 43 59.748 -4.558 4.565 1.00 0.00 N ATOM 599 CA ASP A 43 59.578 -5.407 5.778 1.00 0.00 C ATOM 600 C ASP A 43 60.865 -5.358 6.600 1.00 0.00 C ATOM 601 O ASP A 43 61.903 -5.814 6.162 1.00 0.00 O ATOM 602 CB ASP A 43 59.337 -6.817 5.241 1.00 0.00 C ATOM 603 CG ASP A 43 58.384 -7.564 6.176 1.00 0.00 C ATOM 604 OD1 ASP A 43 58.833 -7.991 7.227 1.00 0.00 O ATOM 605 OD2 ASP A 43 57.224 -7.697 5.826 1.00 0.00 O ATOM 0 H ASP A 43 60.662 -4.114 4.477 1.00 0.00 H new ATOM 0 HA ASP A 43 58.761 -5.078 6.420 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.914 -6.768 4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.282 -7.354 5.163 1.00 0.00 H new ATOM 610 N GLY A 44 60.822 -4.790 7.771 1.00 0.00 N ATOM 611 CA GLY A 44 62.068 -4.702 8.578 1.00 0.00 C ATOM 612 C GLY A 44 63.165 -4.139 7.678 1.00 0.00 C ATOM 613 O GLY A 44 64.129 -4.805 7.361 1.00 0.00 O ATOM 0 H GLY A 44 59.989 -4.387 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 44 61.917 -4.059 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 44 62.350 -5.685 8.955 1.00 0.00 H new ATOM 617 N VAL A 45 63.005 -2.920 7.240 1.00 0.00 N ATOM 618 CA VAL A 45 64.020 -2.311 6.332 1.00 0.00 C ATOM 619 C VAL A 45 64.149 -0.810 6.605 1.00 0.00 C ATOM 620 O VAL A 45 63.169 -0.108 6.754 1.00 0.00 O ATOM 621 CB VAL A 45 63.458 -2.556 4.925 1.00 0.00 C ATOM 622 CG1 VAL A 45 64.015 -1.520 3.940 1.00 0.00 C ATOM 623 CG2 VAL A 45 63.845 -3.963 4.463 1.00 0.00 C ATOM 0 H VAL A 45 62.215 -2.318 7.472 1.00 0.00 H new ATOM 0 HA VAL A 45 65.014 -2.737 6.466 1.00 0.00 H new ATOM 0 HB VAL A 45 62.372 -2.463 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 45 63.607 -1.707 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 45 63.732 -0.519 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 45 65.102 -1.597 3.907 1.00 0.00 H new ATOM 0 HG21 VAL A 45 63.447 -4.140 3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 45 64.931 -4.053 4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 45 63.433 -4.699 5.153 1.00 0.00 H new ATOM 633 N THR A 46 65.352 -0.312 6.649 1.00 0.00 N ATOM 634 CA THR A 46 65.546 1.146 6.884 1.00 0.00 C ATOM 635 C THR A 46 66.199 1.780 5.654 1.00 0.00 C ATOM 636 O THR A 46 67.398 1.711 5.472 1.00 0.00 O ATOM 637 CB THR A 46 66.473 1.242 8.093 1.00 0.00 C ATOM 638 OG1 THR A 46 65.869 0.589 9.202 1.00 0.00 O ATOM 639 CG2 THR A 46 66.710 2.714 8.427 1.00 0.00 C ATOM 0 H THR A 46 66.210 -0.851 6.532 1.00 0.00 H new ATOM 0 HA THR A 46 64.606 1.668 7.061 1.00 0.00 H new ATOM 0 HB THR A 46 67.426 0.763 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 46 66.463 0.648 9.979 1.00 0.00 H new ATOM 0 HG21 THR A 46 67.372 2.789 9.290 1.00 0.00 H new ATOM 0 HG22 THR A 46 67.170 3.211 7.573 1.00 0.00 H new ATOM 0 HG23 THR A 46 65.758 3.193 8.657 1.00 0.00 H new ATOM 647 N ILE A 47 65.418 2.381 4.801 1.00 0.00 N ATOM 648 CA ILE A 47 65.989 3.006 3.573 1.00 0.00 C ATOM 649 C ILE A 47 65.798 4.526 3.609 1.00 0.00 C ATOM 650 O ILE A 47 65.160 5.055 4.496 1.00 0.00 O ATOM 651 CB ILE A 47 65.189 2.388 2.429 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.713 2.754 2.601 1.00 0.00 C ATOM 653 CG2 ILE A 47 65.343 0.870 2.465 1.00 0.00 C ATOM 654 CD1 ILE A 47 63.138 3.220 1.261 1.00 0.00 C ATOM 0 H ILE A 47 64.407 2.467 4.900 1.00 0.00 H new ATOM 0 HA ILE A 47 67.060 2.831 3.472 1.00 0.00 H new ATOM 0 HB ILE A 47 65.555 2.766 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.155 1.892 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.608 3.542 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 47 64.772 0.427 1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.395 0.608 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 47 64.971 0.489 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.087 3.480 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.689 4.094 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.228 2.418 0.528 1.00 0.00 H new ATOM 666 N THR A 48 66.345 5.235 2.654 1.00 0.00 N ATOM 667 CA THR A 48 66.183 6.717 2.653 1.00 0.00 C ATOM 668 C THR A 48 65.522 7.186 1.348 1.00 0.00 C ATOM 669 O THR A 48 64.894 6.418 0.645 1.00 0.00 O ATOM 670 CB THR A 48 67.612 7.272 2.779 1.00 0.00 C ATOM 671 OG1 THR A 48 67.570 8.526 3.444 1.00 0.00 O ATOM 672 CG2 THR A 48 68.239 7.456 1.394 1.00 0.00 C ATOM 0 H THR A 48 66.892 4.854 1.882 1.00 0.00 H new ATOM 0 HA THR A 48 65.541 7.063 3.463 1.00 0.00 H new ATOM 0 HB THR A 48 68.216 6.566 3.349 1.00 0.00 H new ATOM 0 HG1 THR A 48 68.479 8.882 3.528 1.00 0.00 H new ATOM 0 HG21 THR A 48 69.250 7.849 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 48 68.276 6.495 0.881 1.00 0.00 H new ATOM 0 HG23 THR A 48 67.638 8.155 0.812 1.00 0.00 H new ATOM 680 N THR A 49 65.671 8.441 1.021 1.00 0.00 N ATOM 681 CA THR A 49 65.068 8.966 -0.240 1.00 0.00 C ATOM 682 C THR A 49 65.667 8.239 -1.445 1.00 0.00 C ATOM 683 O THR A 49 66.705 8.616 -1.955 1.00 0.00 O ATOM 684 CB THR A 49 65.452 10.447 -0.272 1.00 0.00 C ATOM 685 OG1 THR A 49 64.676 11.157 0.683 1.00 0.00 O ATOM 686 CG2 THR A 49 65.191 11.015 -1.666 1.00 0.00 C ATOM 0 H THR A 49 66.185 9.128 1.573 1.00 0.00 H new ATOM 0 HA THR A 49 63.988 8.821 -0.277 1.00 0.00 H new ATOM 0 HB THR A 49 66.510 10.552 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.922 12.105 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 49 65.465 12.070 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.788 10.471 -2.398 1.00 0.00 H new ATOM 0 HG23 THR A 49 64.134 10.910 -1.909 1.00 0.00 H new ATOM 694 N SER A 50 65.031 7.198 -1.902 1.00 0.00 N ATOM 695 CA SER A 50 65.580 6.452 -3.070 1.00 0.00 C ATOM 696 C SER A 50 64.464 6.040 -4.026 1.00 0.00 C ATOM 697 O SER A 50 63.325 5.876 -3.638 1.00 0.00 O ATOM 698 CB SER A 50 66.238 5.213 -2.467 1.00 0.00 C ATOM 699 OG SER A 50 65.397 4.685 -1.451 1.00 0.00 O ATOM 0 H SER A 50 64.159 6.832 -1.520 1.00 0.00 H new ATOM 0 HA SER A 50 66.278 7.059 -3.647 1.00 0.00 H new ATOM 0 HB2 SER A 50 66.408 4.464 -3.240 1.00 0.00 H new ATOM 0 HB3 SER A 50 67.213 5.470 -2.052 1.00 0.00 H new ATOM 0 HG SER A 50 64.470 4.954 -1.621 1.00 0.00 H new ATOM 705 N THR A 51 64.791 5.854 -5.276 1.00 0.00 N ATOM 706 CA THR A 51 63.757 5.431 -6.257 1.00 0.00 C ATOM 707 C THR A 51 63.806 3.912 -6.411 1.00 0.00 C ATOM 708 O THR A 51 63.999 3.389 -7.490 1.00 0.00 O ATOM 709 CB THR A 51 64.125 6.125 -7.575 1.00 0.00 C ATOM 710 OG1 THR A 51 65.208 5.437 -8.189 1.00 0.00 O ATOM 711 CG2 THR A 51 64.524 7.579 -7.308 1.00 0.00 C ATOM 0 H THR A 51 65.729 5.977 -5.658 1.00 0.00 H new ATOM 0 HA THR A 51 62.748 5.700 -5.944 1.00 0.00 H new ATOM 0 HB THR A 51 63.261 6.110 -8.240 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.910 4.550 -8.479 1.00 0.00 H new ATOM 0 HG21 THR A 51 64.784 8.064 -8.249 1.00 0.00 H new ATOM 0 HG22 THR A 51 63.689 8.106 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 51 65.384 7.603 -6.638 1.00 0.00 H new ATOM 719 N SER A 52 63.641 3.202 -5.327 1.00 0.00 N ATOM 720 CA SER A 52 63.686 1.715 -5.389 1.00 0.00 C ATOM 721 C SER A 52 62.317 1.124 -5.047 1.00 0.00 C ATOM 722 O SER A 52 61.688 1.501 -4.079 1.00 0.00 O ATOM 723 CB SER A 52 64.716 1.309 -4.338 1.00 0.00 C ATOM 724 OG SER A 52 65.426 0.164 -4.792 1.00 0.00 O ATOM 0 H SER A 52 63.476 3.591 -4.399 1.00 0.00 H new ATOM 0 HA SER A 52 63.947 1.354 -6.384 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.408 2.131 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 52 64.220 1.092 -3.392 1.00 0.00 H new ATOM 0 HG SER A 52 65.647 0.271 -5.741 1.00 0.00 H new ATOM 730 N THR A 53 61.858 0.190 -5.830 1.00 0.00 N ATOM 731 CA THR A 53 60.537 -0.435 -5.550 1.00 0.00 C ATOM 732 C THR A 53 60.247 -1.524 -6.586 1.00 0.00 C ATOM 733 O THR A 53 59.453 -1.348 -7.488 1.00 0.00 O ATOM 734 CB THR A 53 59.509 0.701 -5.638 1.00 0.00 C ATOM 735 OG1 THR A 53 58.223 0.153 -5.901 1.00 0.00 O ATOM 736 CG2 THR A 53 59.886 1.673 -6.757 1.00 0.00 C ATOM 0 H THR A 53 62.342 -0.168 -6.654 1.00 0.00 H new ATOM 0 HA THR A 53 60.507 -0.912 -4.570 1.00 0.00 H new ATOM 0 HB THR A 53 59.495 1.241 -4.691 1.00 0.00 H new ATOM 0 HG1 THR A 53 58.224 -0.275 -6.783 1.00 0.00 H new ATOM 0 HG21 THR A 53 59.148 2.473 -6.808 1.00 0.00 H new ATOM 0 HG22 THR A 53 60.869 2.098 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 53 59.910 1.141 -7.708 1.00 0.00 H new ATOM 744 N GLY A 54 60.889 -2.653 -6.452 1.00 0.00 N ATOM 745 CA GLY A 54 60.660 -3.769 -7.411 1.00 0.00 C ATOM 746 C GLY A 54 60.438 -5.064 -6.623 1.00 0.00 C ATOM 747 O GLY A 54 59.396 -5.683 -6.701 1.00 0.00 O ATOM 0 H GLY A 54 61.566 -2.850 -5.715 1.00 0.00 H new ATOM 0 HA2 GLY A 54 59.794 -3.556 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 54 61.516 -3.875 -8.077 1.00 0.00 H new ATOM 751 N SER A 55 61.419 -5.473 -5.865 1.00 0.00 N ATOM 752 CA SER A 55 61.286 -6.725 -5.066 1.00 0.00 C ATOM 753 C SER A 55 61.033 -6.403 -3.591 1.00 0.00 C ATOM 754 O SER A 55 60.601 -5.322 -3.243 1.00 0.00 O ATOM 755 CB SER A 55 62.627 -7.434 -5.230 1.00 0.00 C ATOM 756 OG SER A 55 63.673 -6.565 -4.815 1.00 0.00 O ATOM 0 H SER A 55 62.312 -4.991 -5.764 1.00 0.00 H new ATOM 0 HA SER A 55 60.448 -7.336 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 55 62.642 -8.349 -4.638 1.00 0.00 H new ATOM 0 HB3 SER A 55 62.772 -7.725 -6.270 1.00 0.00 H new ATOM 0 HG SER A 55 63.901 -5.955 -5.547 1.00 0.00 H new ATOM 762 N ARG A 56 61.298 -7.342 -2.722 1.00 0.00 N ATOM 763 CA ARG A 56 61.077 -7.109 -1.264 1.00 0.00 C ATOM 764 C ARG A 56 62.413 -7.146 -0.514 1.00 0.00 C ATOM 765 O ARG A 56 63.136 -8.121 -0.576 1.00 0.00 O ATOM 766 CB ARG A 56 60.179 -8.269 -0.824 1.00 0.00 C ATOM 767 CG ARG A 56 59.965 -8.221 0.693 1.00 0.00 C ATOM 768 CD ARG A 56 60.523 -9.500 1.327 1.00 0.00 C ATOM 769 NE ARG A 56 59.712 -9.703 2.562 1.00 0.00 N ATOM 770 CZ ARG A 56 60.098 -10.566 3.464 1.00 0.00 C ATOM 771 NH1 ARG A 56 61.157 -10.328 4.190 1.00 0.00 N ATOM 772 NH2 ARG A 56 59.421 -11.668 3.642 1.00 0.00 N ATOM 0 H ARG A 56 61.660 -8.265 -2.960 1.00 0.00 H new ATOM 0 HA ARG A 56 60.628 -6.138 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 56 59.219 -8.211 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 56 60.634 -9.219 -1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 56 60.462 -7.347 1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 56 58.903 -8.124 0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 56 60.431 -10.349 0.650 1.00 0.00 H new ATOM 0 HD3 ARG A 56 61.582 -9.394 1.563 1.00 0.00 H new ATOM 0 HE ARG A 56 58.855 -9.168 2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 56 61.686 -9.466 4.054 1.00 0.00 H new ATOM 0 HH12 ARG A 56 61.456 -11.004 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 56 58.592 -11.854 3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 56 59.721 -12.343 4.346 1.00 0.00 H new ATOM 786 N ILE A 57 62.749 -6.102 0.200 1.00 0.00 N ATOM 787 CA ILE A 57 64.040 -6.105 0.952 1.00 0.00 C ATOM 788 C ILE A 57 63.789 -6.459 2.419 1.00 0.00 C ATOM 789 O ILE A 57 62.678 -6.393 2.905 1.00 0.00 O ATOM 790 CB ILE A 57 64.595 -4.681 0.856 1.00 0.00 C ATOM 791 CG1 ILE A 57 65.120 -4.422 -0.565 1.00 0.00 C ATOM 792 CG2 ILE A 57 65.740 -4.526 1.866 1.00 0.00 C ATOM 793 CD1 ILE A 57 66.228 -3.360 -0.530 1.00 0.00 C ATOM 0 H ILE A 57 62.190 -5.254 0.295 1.00 0.00 H new ATOM 0 HA ILE A 57 64.736 -6.837 0.541 1.00 0.00 H new ATOM 0 HB ILE A 57 63.806 -3.963 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 57 65.505 -5.347 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 57 64.305 -4.088 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 57 66.143 -3.515 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 57 65.364 -4.708 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 57 66.527 -5.245 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 57 66.594 -3.183 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.829 -2.432 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 57 67.048 -3.710 0.097 1.00 0.00 H new ATOM 805 N SER A 58 64.819 -6.826 3.126 1.00 0.00 N ATOM 806 CA SER A 58 64.650 -7.176 4.568 1.00 0.00 C ATOM 807 C SER A 58 65.903 -6.772 5.347 1.00 0.00 C ATOM 808 O SER A 58 66.992 -6.744 4.812 1.00 0.00 O ATOM 809 CB SER A 58 64.457 -8.692 4.600 1.00 0.00 C ATOM 810 OG SER A 58 64.524 -9.208 3.277 1.00 0.00 O ATOM 0 H SER A 58 65.772 -6.900 2.770 1.00 0.00 H new ATOM 0 HA SER A 58 63.806 -6.659 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 58 65.225 -9.154 5.221 1.00 0.00 H new ATOM 0 HB3 SER A 58 63.494 -8.937 5.049 1.00 0.00 H new ATOM 0 HG SER A 58 64.402 -10.180 3.298 1.00 0.00 H new ATOM 816 N GLY A 59 65.765 -6.460 6.607 1.00 0.00 N ATOM 817 CA GLY A 59 66.964 -6.065 7.395 1.00 0.00 C ATOM 818 C GLY A 59 66.542 -5.280 8.632 1.00 0.00 C ATOM 819 O GLY A 59 66.030 -4.183 8.524 1.00 0.00 O ATOM 0 H GLY A 59 64.883 -6.462 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.523 -6.953 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 59 67.630 -5.460 6.780 1.00 0.00 H new ATOM 823 N PRO A 60 66.803 -5.849 9.778 1.00 0.00 N ATOM 824 CA PRO A 60 66.473 -5.162 11.043 1.00 0.00 C ATOM 825 C PRO A 60 67.483 -4.029 11.264 1.00 0.00 C ATOM 826 O PRO A 60 67.391 -3.263 12.204 1.00 0.00 O ATOM 827 CB PRO A 60 66.610 -6.259 12.096 1.00 0.00 C ATOM 828 CG PRO A 60 67.550 -7.260 11.501 1.00 0.00 C ATOM 829 CD PRO A 60 67.421 -7.161 10.000 1.00 0.00 C ATOM 0 HA PRO A 60 65.482 -4.708 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 60 67.001 -5.860 13.032 1.00 0.00 H new ATOM 0 HB3 PRO A 60 65.644 -6.711 12.321 1.00 0.00 H new ATOM 0 HG2 PRO A 60 68.575 -7.057 11.813 1.00 0.00 H new ATOM 0 HG3 PRO A 60 67.306 -8.266 11.842 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.393 -7.231 9.511 1.00 0.00 H new ATOM 0 HD3 PRO A 60 66.804 -7.965 9.599 1.00 0.00 H new ATOM 837 N GLY A 61 68.438 -3.915 10.377 1.00 0.00 N ATOM 838 CA GLY A 61 69.458 -2.840 10.479 1.00 0.00 C ATOM 839 C GLY A 61 70.006 -2.576 9.076 1.00 0.00 C ATOM 840 O GLY A 61 71.141 -2.179 8.904 1.00 0.00 O ATOM 0 H GLY A 61 68.552 -4.534 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 61 69.016 -1.933 10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 61 70.261 -3.139 11.152 1.00 0.00 H new ATOM 844 N CYS A 62 69.202 -2.811 8.065 1.00 0.00 N ATOM 845 CA CYS A 62 69.668 -2.596 6.663 1.00 0.00 C ATOM 846 C CYS A 62 69.780 -1.097 6.352 1.00 0.00 C ATOM 847 O CYS A 62 69.102 -0.277 6.937 1.00 0.00 O ATOM 848 CB CYS A 62 68.577 -3.251 5.805 1.00 0.00 C ATOM 849 SG CYS A 62 68.611 -2.585 4.119 1.00 0.00 S ATOM 0 H CYS A 62 68.242 -3.143 8.154 1.00 0.00 H new ATOM 0 HA CYS A 62 70.656 -3.018 6.479 1.00 0.00 H new ATOM 0 HB2 CYS A 62 68.725 -4.331 5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 62 67.599 -3.074 6.253 1.00 0.00 H new ATOM 854 N LYS A 63 70.633 -0.741 5.425 1.00 0.00 N ATOM 855 CA LYS A 63 70.788 0.698 5.064 1.00 0.00 C ATOM 856 C LYS A 63 70.955 0.844 3.550 1.00 0.00 C ATOM 857 O LYS A 63 71.960 0.458 2.988 1.00 0.00 O ATOM 858 CB LYS A 63 72.055 1.155 5.787 1.00 0.00 C ATOM 859 CG LYS A 63 71.705 2.273 6.772 1.00 0.00 C ATOM 860 CD LYS A 63 71.819 1.748 8.205 1.00 0.00 C ATOM 861 CE LYS A 63 72.000 2.925 9.167 1.00 0.00 C ATOM 862 NZ LYS A 63 72.845 2.397 10.275 1.00 0.00 N ATOM 0 H LYS A 63 71.228 -1.385 4.904 1.00 0.00 H new ATOM 0 HA LYS A 63 69.920 1.292 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 63 72.506 0.317 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.791 1.509 5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 72.376 3.120 6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 63 70.693 2.633 6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.925 1.183 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 72.664 1.064 8.287 1.00 0.00 H new ATOM 0 HE2 LYS A 63 72.482 3.768 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 63 71.039 3.281 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 73.011 3.149 10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 72.358 1.600 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 73.756 2.073 9.892 1.00 0.00 H new ATOM 876 N ILE A 64 69.981 1.401 2.884 1.00 0.00 N ATOM 877 CA ILE A 64 70.093 1.570 1.410 1.00 0.00 C ATOM 878 C ILE A 64 70.408 3.034 1.093 1.00 0.00 C ATOM 879 O ILE A 64 70.313 3.891 1.950 1.00 0.00 O ATOM 880 CB ILE A 64 68.720 1.142 0.863 1.00 0.00 C ATOM 881 CG1 ILE A 64 68.897 0.480 -0.502 1.00 0.00 C ATOM 882 CG2 ILE A 64 67.782 2.349 0.722 1.00 0.00 C ATOM 883 CD1 ILE A 64 67.525 0.082 -1.040 1.00 0.00 C ATOM 0 H ILE A 64 69.114 1.745 3.297 1.00 0.00 H new ATOM 0 HA ILE A 64 70.891 0.978 0.962 1.00 0.00 H new ATOM 0 HB ILE A 64 68.276 0.437 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 64 69.388 1.165 -1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 64 69.537 -0.398 -0.415 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.819 2.018 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.639 2.815 1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.221 3.073 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 64 67.640 -0.392 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.052 -0.617 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 64 66.902 0.971 -1.140 1.00 0.00 H new ATOM 895 N SER A 65 70.784 3.338 -0.116 1.00 0.00 N ATOM 896 CA SER A 65 71.099 4.760 -0.432 1.00 0.00 C ATOM 897 C SER A 65 70.682 5.119 -1.861 1.00 0.00 C ATOM 898 O SER A 65 71.371 4.821 -2.816 1.00 0.00 O ATOM 899 CB SER A 65 72.614 4.877 -0.269 1.00 0.00 C ATOM 900 OG SER A 65 73.139 5.687 -1.312 1.00 0.00 O ATOM 0 H SER A 65 70.886 2.679 -0.887 1.00 0.00 H new ATOM 0 HA SER A 65 70.559 5.444 0.222 1.00 0.00 H new ATOM 0 HB2 SER A 65 72.854 5.313 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 65 73.071 3.888 -0.296 1.00 0.00 H new ATOM 0 HG SER A 65 72.987 5.248 -2.175 1.00 0.00 H new ATOM 906 N THR A 66 69.559 5.770 -2.005 1.00 0.00 N ATOM 907 CA THR A 66 69.084 6.174 -3.362 1.00 0.00 C ATOM 908 C THR A 66 69.203 5.010 -4.345 1.00 0.00 C ATOM 909 O THR A 66 69.833 5.117 -5.378 1.00 0.00 O ATOM 910 CB THR A 66 69.992 7.334 -3.777 1.00 0.00 C ATOM 911 OG1 THR A 66 71.340 6.889 -3.836 1.00 0.00 O ATOM 912 CG2 THR A 66 69.869 8.467 -2.756 1.00 0.00 C ATOM 0 H THR A 66 68.946 6.041 -1.236 1.00 0.00 H new ATOM 0 HA THR A 66 68.034 6.465 -3.356 1.00 0.00 H new ATOM 0 HB THR A 66 69.691 7.696 -4.760 1.00 0.00 H new ATOM 0 HG1 THR A 66 71.360 5.910 -3.878 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.515 9.294 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 66 68.835 8.811 -2.717 1.00 0.00 H new ATOM 0 HG23 THR A 66 70.169 8.105 -1.773 1.00 0.00 H new ATOM 920 N CYS A 67 68.593 3.901 -4.034 1.00 0.00 N ATOM 921 CA CYS A 67 68.654 2.727 -4.950 1.00 0.00 C ATOM 922 C CYS A 67 67.600 2.861 -6.052 1.00 0.00 C ATOM 923 O CYS A 67 66.655 3.617 -5.935 1.00 0.00 O ATOM 924 CB CYS A 67 68.335 1.520 -4.067 1.00 0.00 C ATOM 925 SG CYS A 67 69.808 0.484 -3.880 1.00 0.00 S ATOM 0 H CYS A 67 68.052 3.756 -3.181 1.00 0.00 H new ATOM 0 HA CYS A 67 69.624 2.638 -5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 67 67.990 1.855 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 67 67.525 0.939 -4.509 1.00 0.00 H new ATOM 930 N ILE A 68 67.748 2.121 -7.115 1.00 0.00 N ATOM 931 CA ILE A 68 66.749 2.185 -8.220 1.00 0.00 C ATOM 932 C ILE A 68 65.925 0.895 -8.229 1.00 0.00 C ATOM 933 O ILE A 68 66.226 -0.040 -7.514 1.00 0.00 O ATOM 934 CB ILE A 68 67.575 2.318 -9.503 1.00 0.00 C ATOM 935 CG1 ILE A 68 68.256 3.689 -9.526 1.00 0.00 C ATOM 936 CG2 ILE A 68 66.657 2.190 -10.721 1.00 0.00 C ATOM 937 CD1 ILE A 68 69.184 3.782 -10.740 1.00 0.00 C ATOM 0 H ILE A 68 68.520 1.472 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 68 66.051 3.016 -8.114 1.00 0.00 H new ATOM 0 HB ILE A 68 68.329 1.531 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 68 67.505 4.478 -9.568 1.00 0.00 H new ATOM 0 HG13 ILE A 68 68.825 3.839 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 68 67.247 2.285 -11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 68 66.166 1.217 -10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 68 65.903 2.977 -10.693 1.00 0.00 H new ATOM 0 HD11 ILE A 68 69.668 4.759 -10.754 1.00 0.00 H new ATOM 0 HD12 ILE A 68 69.943 3.002 -10.678 1.00 0.00 H new ATOM 0 HD13 ILE A 68 68.603 3.651 -11.653 1.00 0.00 H new ATOM 949 N ILE A 69 64.887 0.838 -9.021 1.00 0.00 N ATOM 950 CA ILE A 69 64.042 -0.396 -9.066 1.00 0.00 C ATOM 951 C ILE A 69 64.920 -1.649 -8.972 1.00 0.00 C ATOM 952 O ILE A 69 65.791 -1.867 -9.790 1.00 0.00 O ATOM 953 CB ILE A 69 63.334 -0.341 -10.422 1.00 0.00 C ATOM 954 CG1 ILE A 69 62.206 0.694 -10.373 1.00 0.00 C ATOM 955 CG2 ILE A 69 62.744 -1.715 -10.745 1.00 0.00 C ATOM 956 CD1 ILE A 69 62.620 1.939 -11.162 1.00 0.00 C ATOM 0 H ILE A 69 64.586 1.591 -9.639 1.00 0.00 H new ATOM 0 HA ILE A 69 63.337 -0.441 -8.236 1.00 0.00 H new ATOM 0 HB ILE A 69 64.052 -0.060 -11.192 1.00 0.00 H new ATOM 0 HG12 ILE A 69 61.293 0.272 -10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 69 61.988 0.962 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 69 62.240 -1.677 -11.711 1.00 0.00 H new ATOM 0 HG22 ILE A 69 63.544 -2.455 -10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 69 62.028 -1.994 -9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 69 61.817 2.675 -11.127 1.00 0.00 H new ATOM 0 HD12 ILE A 69 63.522 2.365 -10.723 1.00 0.00 H new ATOM 0 HD13 ILE A 69 62.816 1.664 -12.199 1.00 0.00 H new ATOM 968 N THR A 70 64.704 -2.474 -7.980 1.00 0.00 N ATOM 969 CA THR A 70 65.539 -3.703 -7.851 1.00 0.00 C ATOM 970 C THR A 70 64.661 -4.946 -7.655 1.00 0.00 C ATOM 971 O THR A 70 64.763 -5.633 -6.658 1.00 0.00 O ATOM 972 CB THR A 70 66.419 -3.472 -6.618 1.00 0.00 C ATOM 973 OG1 THR A 70 67.185 -2.288 -6.800 1.00 0.00 O ATOM 974 CG2 THR A 70 67.360 -4.665 -6.433 1.00 0.00 C ATOM 0 H THR A 70 63.992 -2.351 -7.260 1.00 0.00 H new ATOM 0 HA THR A 70 66.131 -3.878 -8.749 1.00 0.00 H new ATOM 0 HB THR A 70 65.789 -3.366 -5.735 1.00 0.00 H new ATOM 0 HG1 THR A 70 66.606 -1.504 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 70 67.987 -4.502 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 70 66.773 -5.573 -6.296 1.00 0.00 H new ATOM 0 HG23 THR A 70 67.991 -4.771 -7.315 1.00 0.00 H new ATOM 982 N GLY A 71 63.815 -5.255 -8.602 1.00 0.00 N ATOM 983 CA GLY A 71 62.962 -6.472 -8.459 1.00 0.00 C ATOM 984 C GLY A 71 63.877 -7.692 -8.483 1.00 0.00 C ATOM 985 O GLY A 71 63.966 -8.393 -9.472 1.00 0.00 O ATOM 0 H GLY A 71 63.678 -4.723 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 71 62.399 -6.436 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 71 62.234 -6.525 -9.269 1.00 0.00 H new ATOM 989 N GLY A 72 64.592 -7.934 -7.417 1.00 0.00 N ATOM 990 CA GLY A 72 65.529 -9.084 -7.415 1.00 0.00 C ATOM 991 C GLY A 72 66.551 -8.823 -8.513 1.00 0.00 C ATOM 992 O GLY A 72 67.120 -9.728 -9.089 1.00 0.00 O ATOM 0 H GLY A 72 64.566 -7.388 -6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 72 66.019 -9.181 -6.446 1.00 0.00 H new ATOM 0 HA3 GLY A 72 64.996 -10.017 -7.597 1.00 0.00 H new ATOM 996 N VAL A 73 66.758 -7.570 -8.819 1.00 0.00 N ATOM 997 CA VAL A 73 67.717 -7.202 -9.901 1.00 0.00 C ATOM 998 C VAL A 73 68.656 -6.081 -9.434 1.00 0.00 C ATOM 999 O VAL A 73 68.430 -4.923 -9.722 1.00 0.00 O ATOM 1000 CB VAL A 73 66.826 -6.713 -11.047 1.00 0.00 C ATOM 1001 CG1 VAL A 73 66.230 -7.916 -11.779 1.00 0.00 C ATOM 1002 CG2 VAL A 73 65.687 -5.850 -10.485 1.00 0.00 C ATOM 0 H VAL A 73 66.301 -6.781 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 73 68.354 -8.037 -10.193 1.00 0.00 H new ATOM 0 HB VAL A 73 67.425 -6.121 -11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 73 65.596 -7.568 -12.594 1.00 0.00 H new ATOM 0 HG12 VAL A 73 67.034 -8.532 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 73 65.634 -8.507 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 73 65.055 -5.504 -11.303 1.00 0.00 H new ATOM 0 HG22 VAL A 73 65.090 -6.442 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 73 66.106 -4.991 -9.961 1.00 0.00 H new ATOM 1012 N PRO A 74 69.682 -6.470 -8.725 1.00 0.00 N ATOM 1013 CA PRO A 74 70.670 -5.490 -8.210 1.00 0.00 C ATOM 1014 C PRO A 74 71.630 -5.052 -9.322 1.00 0.00 C ATOM 1015 O PRO A 74 72.221 -3.992 -9.262 1.00 0.00 O ATOM 1016 CB PRO A 74 71.420 -6.275 -7.139 1.00 0.00 C ATOM 1017 CG PRO A 74 71.281 -7.712 -7.535 1.00 0.00 C ATOM 1018 CD PRO A 74 70.010 -7.844 -8.337 1.00 0.00 C ATOM 0 HA PRO A 74 70.207 -4.579 -7.831 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.468 -5.978 -7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.996 -6.096 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 74 72.140 -8.031 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 74 71.245 -8.351 -6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.155 -8.480 -9.210 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.211 -8.292 -7.746 1.00 0.00 H new ATOM 1026 N ALA A 75 71.795 -5.862 -10.332 1.00 0.00 N ATOM 1027 CA ALA A 75 72.726 -5.498 -11.442 1.00 0.00 C ATOM 1028 C ALA A 75 72.568 -4.023 -11.831 1.00 0.00 C ATOM 1029 O ALA A 75 73.535 -3.290 -11.876 1.00 0.00 O ATOM 1030 CB ALA A 75 72.331 -6.402 -12.611 1.00 0.00 C ATOM 0 H ALA A 75 71.326 -6.761 -10.438 1.00 0.00 H new ATOM 0 HA ALA A 75 73.768 -5.633 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 75 72.973 -6.192 -13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 75 72.446 -7.446 -12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 75 71.292 -6.213 -12.882 1.00 0.00 H new ATOM 1036 N PRO A 76 71.350 -3.634 -12.107 1.00 0.00 N ATOM 1037 CA PRO A 76 71.076 -2.231 -12.503 1.00 0.00 C ATOM 1038 C PRO A 76 71.228 -1.297 -11.301 1.00 0.00 C ATOM 1039 O PRO A 76 71.252 -0.091 -11.441 1.00 0.00 O ATOM 1040 CB PRO A 76 69.631 -2.271 -12.991 1.00 0.00 C ATOM 1041 CG PRO A 76 69.023 -3.449 -12.299 1.00 0.00 C ATOM 1042 CD PRO A 76 70.129 -4.446 -12.074 1.00 0.00 C ATOM 0 HA PRO A 76 71.763 -1.857 -13.262 1.00 0.00 H new ATOM 0 HB2 PRO A 76 69.104 -1.350 -12.740 1.00 0.00 H new ATOM 0 HB3 PRO A 76 69.583 -2.381 -14.074 1.00 0.00 H new ATOM 0 HG2 PRO A 76 68.574 -3.150 -11.352 1.00 0.00 H new ATOM 0 HG3 PRO A 76 68.228 -3.885 -12.905 1.00 0.00 H new ATOM 0 HD2 PRO A 76 70.016 -4.959 -11.119 1.00 0.00 H new ATOM 0 HD3 PRO A 76 70.139 -5.213 -12.848 1.00 0.00 H new ATOM 1050 N SER A 77 71.341 -1.844 -10.122 1.00 0.00 N ATOM 1051 CA SER A 77 71.502 -0.982 -8.916 1.00 0.00 C ATOM 1052 C SER A 77 72.896 -1.173 -8.323 1.00 0.00 C ATOM 1053 O SER A 77 73.170 -0.760 -7.214 1.00 0.00 O ATOM 1054 CB SER A 77 70.428 -1.455 -7.936 1.00 0.00 C ATOM 1055 OG SER A 77 70.876 -2.637 -7.283 1.00 0.00 O ATOM 0 H SER A 77 71.329 -2.848 -9.941 1.00 0.00 H new ATOM 0 HA SER A 77 71.395 0.078 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.221 -0.676 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.496 -1.650 -8.466 1.00 0.00 H new ATOM 0 HG SER A 77 70.235 -2.889 -6.586 1.00 0.00 H new ATOM 1061 N ALA A 78 73.786 -1.784 -9.058 1.00 0.00 N ATOM 1062 CA ALA A 78 75.166 -1.982 -8.537 1.00 0.00 C ATOM 1063 C ALA A 78 75.790 -0.621 -8.225 1.00 0.00 C ATOM 1064 O ALA A 78 76.792 -0.524 -7.544 1.00 0.00 O ATOM 1065 CB ALA A 78 75.921 -2.682 -9.668 1.00 0.00 C ATOM 0 H ALA A 78 73.616 -2.153 -9.994 1.00 0.00 H new ATOM 0 HA ALA A 78 75.193 -2.568 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 78 76.951 -2.864 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 78 75.437 -3.632 -9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 78 75.914 -2.050 -10.556 1.00 0.00 H new ATOM 1071 N ALA A 79 75.193 0.433 -8.716 1.00 0.00 N ATOM 1072 CA ALA A 79 75.728 1.799 -8.455 1.00 0.00 C ATOM 1073 C ALA A 79 75.182 2.330 -7.125 1.00 0.00 C ATOM 1074 O ALA A 79 75.726 3.248 -6.542 1.00 0.00 O ATOM 1075 CB ALA A 79 75.203 2.641 -9.617 1.00 0.00 C ATOM 0 H ALA A 79 74.351 0.404 -9.291 1.00 0.00 H new ATOM 0 HA ALA A 79 76.816 1.819 -8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 79 75.549 3.669 -9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.571 2.232 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.113 2.623 -9.616 1.00 0.00 H new ATOM 1081 N CYS A 80 74.111 1.760 -6.644 1.00 0.00 N ATOM 1082 CA CYS A 80 73.526 2.228 -5.354 1.00 0.00 C ATOM 1083 C CYS A 80 74.268 1.586 -4.175 1.00 0.00 C ATOM 1084 O CYS A 80 75.041 0.665 -4.347 1.00 0.00 O ATOM 1085 CB CYS A 80 72.066 1.768 -5.408 1.00 0.00 C ATOM 1086 SG CYS A 80 71.334 1.798 -3.753 1.00 0.00 S ATOM 0 H CYS A 80 73.614 0.988 -7.089 1.00 0.00 H new ATOM 0 HA CYS A 80 73.607 3.306 -5.217 1.00 0.00 H new ATOM 0 HB2 CYS A 80 71.498 2.416 -6.076 1.00 0.00 H new ATOM 0 HB3 CYS A 80 72.011 0.760 -5.819 1.00 0.00 H new ATOM 1091 N LYS A 81 74.045 2.070 -2.981 1.00 0.00 N ATOM 1092 CA LYS A 81 74.745 1.490 -1.798 1.00 0.00 C ATOM 1093 C LYS A 81 73.786 0.633 -0.968 1.00 0.00 C ATOM 1094 O LYS A 81 72.648 0.993 -0.738 1.00 0.00 O ATOM 1095 CB LYS A 81 75.229 2.694 -0.988 1.00 0.00 C ATOM 1096 CG LYS A 81 76.741 2.849 -1.162 1.00 0.00 C ATOM 1097 CD LYS A 81 77.021 3.884 -2.251 1.00 0.00 C ATOM 1098 CE LYS A 81 77.558 3.179 -3.499 1.00 0.00 C ATOM 1099 NZ LYS A 81 79.025 3.060 -3.275 1.00 0.00 N ATOM 0 H LYS A 81 73.409 2.841 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 81 75.568 0.839 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 81 74.719 3.598 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 81 74.985 2.559 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 81 77.197 3.161 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS A 81 77.188 1.892 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 81 76.109 4.429 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 81 77.745 4.616 -1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 81 77.098 2.199 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 81 77.342 3.753 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 79.463 2.586 -4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 79.437 4.008 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 79.201 2.503 -2.415 1.00 0.00 H new ATOM 1113 N ILE A 82 74.248 -0.499 -0.518 1.00 0.00 N ATOM 1114 CA ILE A 82 73.388 -1.397 0.301 1.00 0.00 C ATOM 1115 C ILE A 82 74.258 -2.150 1.311 1.00 0.00 C ATOM 1116 O ILE A 82 75.269 -2.726 0.961 1.00 0.00 O ATOM 1117 CB ILE A 82 72.768 -2.365 -0.704 1.00 0.00 C ATOM 1118 CG1 ILE A 82 71.660 -3.173 -0.022 1.00 0.00 C ATOM 1119 CG2 ILE A 82 73.847 -3.314 -1.225 1.00 0.00 C ATOM 1120 CD1 ILE A 82 70.295 -2.643 -0.463 1.00 0.00 C ATOM 0 H ILE A 82 75.193 -0.844 -0.684 1.00 0.00 H new ATOM 0 HA ILE A 82 72.627 -0.859 0.866 1.00 0.00 H new ATOM 0 HB ILE A 82 72.344 -1.803 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 82 71.753 -4.228 -0.281 1.00 0.00 H new ATOM 0 HG13 ILE A 82 71.757 -3.101 1.061 1.00 0.00 H new ATOM 0 HG21 ILE A 82 73.407 -4.006 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.634 -2.738 -1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.271 -3.875 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 82 69.507 -3.219 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 82 70.204 -1.594 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 82 70.200 -2.738 -1.545 1.00 0.00 H new ATOM 1132 N SER A 83 73.883 -2.142 2.561 1.00 0.00 N ATOM 1133 CA SER A 83 74.705 -2.854 3.582 1.00 0.00 C ATOM 1134 C SER A 83 73.807 -3.519 4.624 1.00 0.00 C ATOM 1135 O SER A 83 73.090 -2.864 5.354 1.00 0.00 O ATOM 1136 CB SER A 83 75.565 -1.766 4.222 1.00 0.00 C ATOM 1137 OG SER A 83 76.704 -2.364 4.831 1.00 0.00 O ATOM 0 H SER A 83 73.049 -1.677 2.918 1.00 0.00 H new ATOM 0 HA SER A 83 75.311 -3.647 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 83 75.879 -1.044 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 83 74.986 -1.219 4.966 1.00 0.00 H new ATOM 0 HG SER A 83 77.259 -1.668 5.241 1.00 0.00 H new ATOM 1143 N GLY A 84 73.840 -4.821 4.697 1.00 0.00 N ATOM 1144 CA GLY A 84 72.988 -5.532 5.689 1.00 0.00 C ATOM 1145 C GLY A 84 71.547 -5.553 5.185 1.00 0.00 C ATOM 1146 O GLY A 84 70.624 -5.222 5.903 1.00 0.00 O ATOM 0 H GLY A 84 74.420 -5.423 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 84 73.350 -6.550 5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 84 73.041 -5.033 6.657 1.00 0.00 H new ATOM 1150 N CYS A 85 71.345 -5.933 3.952 1.00 0.00 N ATOM 1151 CA CYS A 85 69.960 -5.967 3.402 1.00 0.00 C ATOM 1152 C CYS A 85 69.726 -7.260 2.619 1.00 0.00 C ATOM 1153 O CYS A 85 70.631 -7.807 2.020 1.00 0.00 O ATOM 1154 CB CYS A 85 69.882 -4.761 2.463 1.00 0.00 C ATOM 1155 SG CYS A 85 70.352 -3.263 3.360 1.00 0.00 S ATOM 0 H CYS A 85 72.078 -6.221 3.303 1.00 0.00 H new ATOM 0 HA CYS A 85 69.206 -5.931 4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 85 70.544 -4.909 1.609 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.871 -4.659 2.069 1.00 0.00 H new ATOM 1160 N THR A 86 68.513 -7.742 2.602 1.00 0.00 N ATOM 1161 CA THR A 86 68.220 -8.988 1.839 1.00 0.00 C ATOM 1162 C THR A 86 67.495 -8.624 0.544 1.00 0.00 C ATOM 1163 O THR A 86 66.974 -7.535 0.402 1.00 0.00 O ATOM 1164 CB THR A 86 67.314 -9.823 2.745 1.00 0.00 C ATOM 1165 OG1 THR A 86 67.340 -9.291 4.063 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.809 -11.270 2.765 1.00 0.00 C ATOM 0 H THR A 86 67.714 -7.328 3.082 1.00 0.00 H new ATOM 0 HA THR A 86 69.123 -9.537 1.572 1.00 0.00 H new ATOM 0 HB THR A 86 66.293 -9.795 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 86 67.193 -10.012 4.710 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.164 -11.866 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.786 -11.676 1.754 1.00 0.00 H new ATOM 0 HG23 THR A 86 68.830 -11.300 3.145 1.00 0.00 H new ATOM 1174 N PHE A 87 67.453 -9.517 -0.402 1.00 0.00 N ATOM 1175 CA PHE A 87 66.760 -9.200 -1.680 1.00 0.00 C ATOM 1176 C PHE A 87 65.829 -10.349 -2.079 1.00 0.00 C ATOM 1177 O PHE A 87 66.122 -11.507 -1.856 1.00 0.00 O ATOM 1178 CB PHE A 87 67.880 -9.035 -2.708 1.00 0.00 C ATOM 1179 CG PHE A 87 69.015 -8.230 -2.112 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.757 -7.026 -1.438 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.331 -8.690 -2.239 1.00 0.00 C ATOM 1182 CE1 PHE A 87 69.817 -6.288 -0.894 1.00 0.00 C ATOM 1183 CE2 PHE A 87 71.388 -7.951 -1.697 1.00 0.00 C ATOM 1184 CZ PHE A 87 71.132 -6.751 -1.025 1.00 0.00 C ATOM 0 H PHE A 87 67.866 -10.448 -0.347 1.00 0.00 H new ATOM 0 HA PHE A 87 66.142 -8.305 -1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 87 68.243 -10.013 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.497 -8.536 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.743 -6.669 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.531 -9.617 -2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 87 69.620 -5.362 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 87 72.403 -8.307 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 87 71.949 -6.181 -0.607 1.00 0.00 H new ATOM 1194 N SER A 88 64.707 -10.033 -2.664 1.00 0.00 N ATOM 1195 CA SER A 88 63.749 -11.098 -3.080 1.00 0.00 C ATOM 1196 C SER A 88 62.569 -10.470 -3.824 1.00 0.00 C ATOM 1197 O SER A 88 61.829 -9.682 -3.270 1.00 0.00 O ATOM 1198 CB SER A 88 63.286 -11.737 -1.773 1.00 0.00 C ATOM 1199 OG SER A 88 62.002 -12.317 -1.962 1.00 0.00 O ATOM 0 H SER A 88 64.410 -9.080 -2.873 1.00 0.00 H new ATOM 0 HA SER A 88 64.197 -11.830 -3.752 1.00 0.00 H new ATOM 0 HB2 SER A 88 63.998 -12.498 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 88 63.246 -10.988 -0.983 1.00 0.00 H new ATOM 0 HG SER A 88 61.703 -12.729 -1.125 1.00 0.00 H new ATOM 1205 N ALA A 89 62.401 -10.799 -5.079 1.00 0.00 N ATOM 1206 CA ALA A 89 61.281 -10.206 -5.874 1.00 0.00 C ATOM 1207 C ALA A 89 60.022 -10.057 -5.016 1.00 0.00 C ATOM 1208 O ALA A 89 59.837 -10.749 -4.034 1.00 0.00 O ATOM 1209 CB ALA A 89 61.040 -11.187 -7.021 1.00 0.00 C ATOM 0 H ALA A 89 62.992 -11.455 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 89 61.527 -9.208 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 89 60.230 -10.819 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 89 61.948 -11.280 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 89 60.770 -12.162 -6.615 1.00 0.00 H new ATOM 1215 N ASN A 90 59.158 -9.150 -5.382 1.00 0.00 N ATOM 1216 CA ASN A 90 57.912 -8.938 -4.594 1.00 0.00 C ATOM 1217 C ASN A 90 56.683 -9.182 -5.484 1.00 0.00 C ATOM 1218 O ASN A 90 56.792 -8.975 -6.681 1.00 0.00 O ATOM 1219 CB ASN A 90 58.010 -7.474 -4.113 1.00 0.00 C ATOM 1220 CG ASN A 90 56.764 -6.672 -4.513 1.00 0.00 C ATOM 1221 OD1 ASN A 90 56.023 -6.213 -3.666 1.00 0.00 O ATOM 1222 ND2 ASN A 90 56.503 -6.487 -5.779 1.00 0.00 N ATOM 1223 OXT ASN A 90 55.657 -9.569 -4.949 1.00 0.00 O ATOM 0 H ASN A 90 59.262 -8.545 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 90 57.806 -9.622 -3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 90 58.127 -7.452 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 90 58.898 -7.007 -4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 90 55.677 -5.957 -6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 90 57.125 -6.872 -6.490 1.00 0.00 H new TER 1230 ASN A 90