USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 419 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 37 THR OG1 : rot 180:sc= -1.02 USER MOD Set 1.2: A 41 ASN : amide:sc= -4.75 K(o=-5.8,f=-3.6) USER MOD Single : A 1 ALA N :NH3+ -166:sc= 0.00568 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 154:sc= -0.209 (180deg=-1.16) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 6 LYS NZ :NH3+ 136:sc= 0.251 (180deg=-0.0652) USER MOD Single : A 8 THR OG1 : rot 180:sc=0.000393 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0153 (180deg=-0.207) USER MOD Single : A 12 ASN : amide:sc= -0.574 K(o=-0.57,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -99:sc=-0.00336 (180deg=-0.344) USER MOD Single : A 18 ASN : amide:sc= -2.7! C(o=-2.7!,f=-4.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0821) USER MOD Single : A 33 ASN : amide:sc= -1 K(o=-1,f=-7.1!) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.616 (180deg=-0.798) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.014) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -1.47! C(o=-1.5!,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.586 -1.644 -0.149 1.00 73.31 N ATOM 2 CA ALA A 1 1.509 -0.688 -0.747 1.00 1.13 C ATOM 3 C ALA A 1 2.957 -1.108 -0.520 1.00 64.05 C ATOM 4 O ALA A 1 3.588 -0.701 0.455 1.00 11.44 O ATOM 5 CB ALA A 1 1.267 0.704 -0.181 1.00 73.32 C ATOM 0 H1 ALA A 1 -0.374 -1.473 -0.512 1.00 73.31 H new ATOM 0 H2 ALA A 1 0.881 -2.611 -0.393 1.00 73.31 H new ATOM 0 H3 ALA A 1 0.591 -1.531 0.885 1.00 73.31 H new ATOM 0 HA ALA A 1 1.327 -0.668 -1.822 1.00 1.13 H new ATOM 0 HB1 ALA A 1 1.963 1.408 -0.636 1.00 73.32 H new ATOM 0 HB2 ALA A 1 0.245 1.013 -0.399 1.00 73.32 H new ATOM 0 HB3 ALA A 1 1.420 0.690 0.898 1.00 73.32 H new ATOM 11 N LYS A 2 3.480 -1.926 -1.428 1.00 32.01 N ATOM 12 CA LYS A 2 4.855 -2.402 -1.328 1.00 55.25 C ATOM 13 C LYS A 2 5.538 -2.379 -2.692 1.00 2.22 C ATOM 14 O LYS A 2 6.369 -1.512 -2.966 1.00 34.10 O ATOM 15 CB LYS A 2 4.885 -3.820 -0.755 1.00 33.31 C ATOM 16 CG LYS A 2 4.856 -3.863 0.763 1.00 32.31 C ATOM 17 CD LYS A 2 5.899 -4.821 1.314 1.00 42.21 C ATOM 18 CE LYS A 2 5.544 -6.268 1.008 1.00 3.11 C ATOM 19 NZ LYS A 2 6.158 -6.732 -0.267 1.00 24.13 N ATOM 0 H LYS A 2 2.972 -2.273 -2.242 1.00 32.01 H new ATOM 0 HA LYS A 2 5.397 -1.735 -0.658 1.00 55.25 H new ATOM 0 HB2 LYS A 2 4.032 -4.378 -1.142 1.00 33.31 H new ATOM 0 HB3 LYS A 2 5.784 -4.326 -1.107 1.00 33.31 H new ATOM 0 HG2 LYS A 2 5.033 -2.863 1.160 1.00 32.31 H new ATOM 0 HG3 LYS A 2 3.866 -4.169 1.100 1.00 32.31 H new ATOM 0 HD2 LYS A 2 6.873 -4.586 0.885 1.00 42.21 H new ATOM 0 HD3 LYS A 2 5.985 -4.686 2.392 1.00 42.21 H new ATOM 0 HE2 LYS A 2 5.880 -6.905 1.826 1.00 3.11 H new ATOM 0 HE3 LYS A 2 4.461 -6.371 0.948 1.00 3.11 H new ATOM 0 HZ1 LYS A 2 6.282 -7.764 -0.237 1.00 24.13 H new ATOM 0 HZ2 LYS A 2 5.537 -6.481 -1.063 1.00 24.13 H new ATOM 0 HZ3 LYS A 2 7.084 -6.276 -0.393 1.00 24.13 H new ATOM 33 N TYR A 3 5.183 -3.335 -3.543 1.00 12.22 N ATOM 34 CA TYR A 3 5.763 -3.424 -4.877 1.00 60.45 C ATOM 35 C TYR A 3 4.673 -3.528 -5.940 1.00 32.44 C ATOM 36 O TYR A 3 3.530 -3.877 -5.642 1.00 72.32 O ATOM 37 CB TYR A 3 6.698 -4.632 -4.970 1.00 53.41 C ATOM 38 CG TYR A 3 8.063 -4.299 -5.528 1.00 1.11 C ATOM 39 CD1 TYR A 3 8.341 -4.461 -6.880 1.00 23.54 C ATOM 40 CD2 TYR A 3 9.075 -3.823 -4.704 1.00 21.15 C ATOM 41 CE1 TYR A 3 9.588 -4.160 -7.394 1.00 15.53 C ATOM 42 CE2 TYR A 3 10.324 -3.517 -5.209 1.00 73.21 C ATOM 43 CZ TYR A 3 10.575 -3.687 -6.555 1.00 21.24 C ATOM 44 OH TYR A 3 11.818 -3.385 -7.062 1.00 1.01 O ATOM 0 H TYR A 3 4.496 -4.059 -3.332 1.00 12.22 H new ATOM 0 HA TYR A 3 6.336 -2.514 -5.058 1.00 60.45 H new ATOM 0 HB2 TYR A 3 6.817 -5.066 -3.977 1.00 53.41 H new ATOM 0 HB3 TYR A 3 6.234 -5.393 -5.598 1.00 53.41 H new ATOM 0 HD1 TYR A 3 7.569 -4.828 -7.540 1.00 23.54 H new ATOM 0 HD2 TYR A 3 8.882 -3.690 -3.650 1.00 21.15 H new ATOM 0 HE1 TYR A 3 9.788 -4.294 -8.447 1.00 15.53 H new ATOM 0 HE2 TYR A 3 11.099 -3.147 -4.554 1.00 73.21 H new ATOM 0 HH TYR A 3 12.397 -3.063 -6.339 1.00 1.01 H new ATOM 54 N THR A 4 5.035 -3.223 -7.182 1.00 31.31 N ATOM 55 CA THR A 4 4.090 -3.281 -8.290 1.00 34.34 C ATOM 56 C THR A 4 4.208 -4.600 -9.045 1.00 43.23 C ATOM 57 O THR A 4 5.239 -4.888 -9.652 1.00 72.13 O ATOM 58 CB THR A 4 4.306 -2.117 -9.275 1.00 1.15 C ATOM 59 OG1 THR A 4 5.491 -1.393 -8.924 1.00 71.04 O ATOM 60 CG2 THR A 4 3.111 -1.176 -9.271 1.00 10.31 C ATOM 0 H THR A 4 5.977 -2.933 -7.446 1.00 31.31 H new ATOM 0 HA THR A 4 3.092 -3.201 -7.858 1.00 34.34 H new ATOM 0 HB THR A 4 4.417 -2.533 -10.276 1.00 1.15 H new ATOM 0 HG1 THR A 4 5.623 -0.655 -9.556 1.00 71.04 H new ATOM 0 HG21 THR A 4 3.287 -0.362 -9.974 1.00 10.31 H new ATOM 0 HG22 THR A 4 2.216 -1.723 -9.566 1.00 10.31 H new ATOM 0 HG23 THR A 4 2.973 -0.767 -8.270 1.00 10.31 H new ATOM 68 N GLY A 5 3.146 -5.398 -9.005 1.00 15.04 N ATOM 69 CA GLY A 5 3.152 -6.677 -9.690 1.00 54.14 C ATOM 70 C GLY A 5 2.007 -6.813 -10.674 1.00 53.55 C ATOM 71 O GLY A 5 1.119 -5.961 -10.728 1.00 1.14 O ATOM 0 H GLY A 5 2.281 -5.181 -8.510 1.00 15.04 H new ATOM 0 HA2 GLY A 5 4.098 -6.798 -10.219 1.00 54.14 H new ATOM 0 HA3 GLY A 5 3.093 -7.480 -8.955 1.00 54.14 H new ATOM 75 N LYS A 6 2.026 -7.885 -11.458 1.00 20.51 N ATOM 76 CA LYS A 6 0.982 -8.131 -12.446 1.00 44.22 C ATOM 77 C LYS A 6 0.659 -9.619 -12.538 1.00 40.42 C ATOM 78 O LYS A 6 1.559 -10.457 -12.599 1.00 73.24 O ATOM 79 CB LYS A 6 1.416 -7.607 -13.817 1.00 10.50 C ATOM 80 CG LYS A 6 1.910 -8.694 -14.755 1.00 42.35 C ATOM 81 CD LYS A 6 3.301 -9.170 -14.373 1.00 64.42 C ATOM 82 CE LYS A 6 4.357 -8.627 -15.324 1.00 24.33 C ATOM 83 NZ LYS A 6 5.729 -8.750 -14.758 1.00 22.45 N ATOM 0 H LYS A 6 2.754 -8.599 -11.428 1.00 20.51 H new ATOM 0 HA LYS A 6 0.084 -7.601 -12.128 1.00 44.22 H new ATOM 0 HB2 LYS A 6 0.576 -7.092 -14.282 1.00 10.50 H new ATOM 0 HB3 LYS A 6 2.207 -6.869 -13.681 1.00 10.50 H new ATOM 0 HG2 LYS A 6 1.218 -9.536 -14.734 1.00 42.35 H new ATOM 0 HG3 LYS A 6 1.922 -8.316 -15.777 1.00 42.35 H new ATOM 0 HD2 LYS A 6 3.529 -8.853 -13.355 1.00 64.42 H new ATOM 0 HD3 LYS A 6 3.329 -10.260 -14.381 1.00 64.42 H new ATOM 0 HE2 LYS A 6 4.305 -9.165 -16.270 1.00 24.33 H new ATOM 0 HE3 LYS A 6 4.146 -7.580 -15.541 1.00 24.33 H new ATOM 0 HZ1 LYS A 6 6.377 -9.100 -15.492 1.00 22.45 H new ATOM 0 HZ2 LYS A 6 6.052 -7.819 -14.426 1.00 22.45 H new ATOM 0 HZ3 LYS A 6 5.717 -9.417 -13.960 1.00 22.45 H new ATOM 97 N CYS A 7 -0.630 -9.940 -12.549 1.00 13.30 N ATOM 98 CA CYS A 7 -1.073 -11.326 -12.635 1.00 20.12 C ATOM 99 C CYS A 7 -1.934 -11.546 -13.875 1.00 72.31 C ATOM 100 O CYS A 7 -2.706 -10.673 -14.272 1.00 52.05 O ATOM 101 CB CYS A 7 -1.859 -11.711 -11.380 1.00 21.02 C ATOM 102 SG CYS A 7 -3.482 -12.465 -11.721 1.00 2.01 S ATOM 0 H CYS A 7 -1.387 -9.258 -12.499 1.00 13.30 H new ATOM 0 HA CYS A 7 -0.189 -11.960 -12.711 1.00 20.12 H new ATOM 0 HB2 CYS A 7 -1.263 -12.408 -10.791 1.00 21.02 H new ATOM 0 HB3 CYS A 7 -2.005 -10.821 -10.769 1.00 21.02 H new ATOM 107 N THR A 8 -1.797 -12.720 -14.483 1.00 63.54 N ATOM 108 CA THR A 8 -2.560 -13.056 -15.678 1.00 74.24 C ATOM 109 C THR A 8 -3.685 -14.033 -15.356 1.00 32.23 C ATOM 110 O THR A 8 -3.442 -15.137 -14.868 1.00 20.13 O ATOM 111 CB THR A 8 -1.660 -13.669 -16.767 1.00 64.40 C ATOM 112 OG1 THR A 8 -2.451 -14.062 -17.894 1.00 20.21 O ATOM 113 CG2 THR A 8 -0.903 -14.874 -16.228 1.00 2.11 C ATOM 0 H THR A 8 -1.164 -13.455 -14.167 1.00 63.54 H new ATOM 0 HA THR A 8 -2.986 -12.125 -16.051 1.00 74.24 H new ATOM 0 HB THR A 8 -0.938 -12.914 -17.077 1.00 64.40 H new ATOM 0 HG1 THR A 8 -1.870 -14.449 -18.582 1.00 20.21 H new ATOM 0 HG21 THR A 8 -0.274 -15.290 -17.015 1.00 2.11 H new ATOM 0 HG22 THR A 8 -0.279 -14.566 -15.389 1.00 2.11 H new ATOM 0 HG23 THR A 8 -1.613 -15.630 -15.893 1.00 2.11 H new ATOM 121 N LYS A 9 -4.918 -13.621 -15.632 1.00 22.22 N ATOM 122 CA LYS A 9 -6.082 -14.461 -15.373 1.00 44.40 C ATOM 123 C LYS A 9 -5.965 -15.793 -16.106 1.00 20.32 C ATOM 124 O LYS A 9 -6.614 -16.773 -15.739 1.00 42.00 O ATOM 125 CB LYS A 9 -7.361 -13.740 -15.803 1.00 75.31 C ATOM 126 CG LYS A 9 -8.632 -14.411 -15.310 1.00 1.22 C ATOM 127 CD LYS A 9 -9.199 -15.364 -16.349 1.00 22.05 C ATOM 128 CE LYS A 9 -10.682 -15.120 -16.578 1.00 54.23 C ATOM 129 NZ LYS A 9 -11.410 -16.380 -16.895 1.00 25.21 N ATOM 0 H LYS A 9 -5.137 -12.710 -16.035 1.00 22.22 H new ATOM 0 HA LYS A 9 -6.126 -14.659 -14.302 1.00 44.40 H new ATOM 0 HB2 LYS A 9 -7.333 -12.716 -15.432 1.00 75.31 H new ATOM 0 HB3 LYS A 9 -7.388 -13.684 -16.891 1.00 75.31 H new ATOM 0 HG2 LYS A 9 -8.423 -14.957 -14.390 1.00 1.22 H new ATOM 0 HG3 LYS A 9 -9.375 -13.651 -15.068 1.00 1.22 H new ATOM 0 HD2 LYS A 9 -8.660 -15.242 -17.288 1.00 22.05 H new ATOM 0 HD3 LYS A 9 -9.044 -16.393 -16.024 1.00 22.05 H new ATOM 0 HE2 LYS A 9 -11.116 -14.664 -15.688 1.00 54.23 H new ATOM 0 HE3 LYS A 9 -10.811 -14.411 -17.395 1.00 54.23 H new ATOM 0 HZ1 LYS A 9 -12.418 -16.171 -17.044 1.00 25.21 H new ATOM 0 HZ2 LYS A 9 -11.013 -16.803 -17.758 1.00 25.21 H new ATOM 0 HZ3 LYS A 9 -11.309 -17.048 -16.104 1.00 25.21 H new ATOM 143 N SER A 10 -5.133 -15.823 -17.142 1.00 51.11 N ATOM 144 CA SER A 10 -4.933 -17.035 -17.928 1.00 34.14 C ATOM 145 C SER A 10 -4.331 -18.144 -17.071 1.00 64.40 C ATOM 146 O SER A 10 -4.754 -19.298 -17.140 1.00 61.54 O ATOM 147 CB SER A 10 -4.025 -16.749 -19.125 1.00 5.45 C ATOM 148 OG SER A 10 -4.506 -17.387 -20.295 1.00 23.04 O ATOM 0 H SER A 10 -4.586 -15.022 -17.457 1.00 51.11 H new ATOM 0 HA SER A 10 -5.905 -17.367 -18.291 1.00 34.14 H new ATOM 0 HB2 SER A 10 -3.966 -15.673 -19.292 1.00 5.45 H new ATOM 0 HB3 SER A 10 -3.014 -17.094 -18.909 1.00 5.45 H new ATOM 0 HG SER A 10 -3.909 -17.187 -21.046 1.00 23.04 H new ATOM 154 N LYS A 11 -3.339 -17.786 -16.263 1.00 22.24 N ATOM 155 CA LYS A 11 -2.677 -18.749 -15.390 1.00 45.33 C ATOM 156 C LYS A 11 -3.093 -18.543 -13.937 1.00 54.05 C ATOM 157 O LYS A 11 -2.690 -19.297 -13.054 1.00 22.44 O ATOM 158 CB LYS A 11 -1.157 -18.623 -15.519 1.00 2.14 C ATOM 159 CG LYS A 11 -0.509 -19.789 -16.244 1.00 70.52 C ATOM 160 CD LYS A 11 -0.355 -20.996 -15.334 1.00 21.21 C ATOM 161 CE LYS A 11 1.080 -21.501 -15.316 1.00 33.23 C ATOM 162 NZ LYS A 11 1.547 -21.894 -16.674 1.00 52.32 N ATOM 0 H LYS A 11 -2.975 -16.836 -16.194 1.00 22.24 H new ATOM 0 HA LYS A 11 -2.981 -19.750 -15.698 1.00 45.33 H new ATOM 0 HB2 LYS A 11 -0.921 -17.700 -16.049 1.00 2.14 H new ATOM 0 HB3 LYS A 11 -0.722 -18.539 -14.523 1.00 2.14 H new ATOM 0 HG2 LYS A 11 -1.112 -20.060 -17.110 1.00 70.52 H new ATOM 0 HG3 LYS A 11 0.469 -19.487 -16.618 1.00 70.52 H new ATOM 0 HD2 LYS A 11 -0.661 -20.731 -14.322 1.00 21.21 H new ATOM 0 HD3 LYS A 11 -1.018 -21.793 -15.670 1.00 21.21 H new ATOM 0 HE2 LYS A 11 1.733 -20.724 -14.918 1.00 33.23 H new ATOM 0 HE3 LYS A 11 1.156 -22.356 -14.644 1.00 33.23 H new ATOM 0 HZ1 LYS A 11 2.333 -22.570 -16.589 1.00 52.32 H new ATOM 0 HZ2 LYS A 11 0.764 -22.338 -17.195 1.00 52.32 H new ATOM 0 HZ3 LYS A 11 1.870 -21.050 -17.188 1.00 52.32 H new ATOM 176 N ASN A 12 -3.905 -17.518 -13.699 1.00 4.52 N ATOM 177 CA ASN A 12 -4.377 -17.214 -12.353 1.00 2.31 C ATOM 178 C ASN A 12 -3.209 -17.117 -11.376 1.00 32.14 C ATOM 179 O ASN A 12 -3.261 -17.666 -10.276 1.00 31.42 O ATOM 180 CB ASN A 12 -5.363 -18.284 -11.882 1.00 71.52 C ATOM 181 CG ASN A 12 -6.602 -17.688 -11.243 1.00 31.15 C ATOM 182 OD1 ASN A 12 -7.171 -16.720 -11.748 1.00 62.53 O ATOM 183 ND2 ASN A 12 -7.026 -18.265 -10.124 1.00 10.31 N ATOM 0 H ASN A 12 -4.250 -16.884 -14.420 1.00 4.52 H new ATOM 0 HA ASN A 12 -4.884 -16.250 -12.382 1.00 2.31 H new ATOM 0 HB2 ASN A 12 -5.657 -18.902 -12.730 1.00 71.52 H new ATOM 0 HB3 ASN A 12 -4.868 -18.940 -11.166 1.00 71.52 H new ATOM 0 HD21 ASN A 12 -7.854 -17.907 -9.648 1.00 10.31 H new ATOM 0 HD22 ASN A 12 -6.523 -19.066 -9.741 1.00 10.31 H new ATOM 190 N GLU A 13 -2.158 -16.414 -11.786 1.00 22.43 N ATOM 191 CA GLU A 13 -0.978 -16.246 -10.946 1.00 24.30 C ATOM 192 C GLU A 13 -0.357 -14.867 -11.149 1.00 54.11 C ATOM 193 O GLU A 13 -0.613 -14.200 -12.153 1.00 24.44 O ATOM 194 CB GLU A 13 0.055 -17.332 -11.256 1.00 32.45 C ATOM 195 CG GLU A 13 0.733 -17.161 -12.605 1.00 33.05 C ATOM 196 CD GLU A 13 1.402 -18.433 -13.087 1.00 20.31 C ATOM 197 OE1 GLU A 13 1.064 -19.516 -12.564 1.00 11.23 O ATOM 198 OE2 GLU A 13 2.263 -18.347 -13.987 1.00 4.23 O ATOM 0 H GLU A 13 -2.100 -15.952 -12.694 1.00 22.43 H new ATOM 0 HA GLU A 13 -1.289 -16.336 -9.905 1.00 24.30 H new ATOM 0 HB2 GLU A 13 0.815 -17.332 -10.475 1.00 32.45 H new ATOM 0 HB3 GLU A 13 -0.434 -18.306 -11.226 1.00 32.45 H new ATOM 0 HG2 GLU A 13 -0.005 -16.842 -13.341 1.00 33.05 H new ATOM 0 HG3 GLU A 13 1.477 -16.367 -12.535 1.00 33.05 H new ATOM 205 N CYS A 14 0.458 -14.444 -10.189 1.00 64.41 N ATOM 206 CA CYS A 14 1.115 -13.145 -10.260 1.00 1.20 C ATOM 207 C CYS A 14 2.632 -13.297 -10.190 1.00 71.21 C ATOM 208 O CYS A 14 3.150 -14.127 -9.442 1.00 42.33 O ATOM 209 CB CYS A 14 0.629 -12.242 -9.124 1.00 45.13 C ATOM 210 SG CYS A 14 0.805 -10.461 -9.463 1.00 44.34 S ATOM 0 H CYS A 14 0.679 -14.983 -9.352 1.00 64.41 H new ATOM 0 HA CYS A 14 0.857 -12.687 -11.215 1.00 1.20 H new ATOM 0 HB2 CYS A 14 -0.420 -12.461 -8.924 1.00 45.13 H new ATOM 0 HB3 CYS A 14 1.184 -12.485 -8.218 1.00 45.13 H new ATOM 215 N LYS A 15 3.339 -12.491 -10.974 1.00 53.44 N ATOM 216 CA LYS A 15 4.796 -12.533 -11.002 1.00 11.01 C ATOM 217 C LYS A 15 5.370 -11.197 -11.463 1.00 65.53 C ATOM 218 O LYS A 15 4.870 -10.589 -12.409 1.00 71.05 O ATOM 219 CB LYS A 15 5.277 -13.654 -11.926 1.00 54.24 C ATOM 220 CG LYS A 15 5.254 -13.280 -13.398 1.00 43.23 C ATOM 221 CD LYS A 15 3.838 -13.026 -13.888 1.00 23.41 C ATOM 222 CE LYS A 15 3.760 -13.056 -15.407 1.00 0.34 C ATOM 223 NZ LYS A 15 2.470 -13.625 -15.885 1.00 33.14 N ATOM 0 H LYS A 15 2.926 -11.799 -11.600 1.00 53.44 H new ATOM 0 HA LYS A 15 5.149 -12.729 -9.989 1.00 11.01 H new ATOM 0 HB2 LYS A 15 6.293 -13.933 -11.646 1.00 54.24 H new ATOM 0 HB3 LYS A 15 4.651 -14.533 -11.773 1.00 54.24 H new ATOM 0 HG2 LYS A 15 5.860 -12.388 -13.557 1.00 43.23 H new ATOM 0 HG3 LYS A 15 5.705 -14.081 -13.985 1.00 43.23 H new ATOM 0 HD2 LYS A 15 3.168 -13.779 -13.473 1.00 23.41 H new ATOM 0 HD3 LYS A 15 3.494 -12.058 -13.524 1.00 23.41 H new ATOM 0 HE2 LYS A 15 3.877 -12.045 -15.797 1.00 0.34 H new ATOM 0 HE3 LYS A 15 4.586 -13.648 -15.801 1.00 0.34 H new ATOM 0 HZ1 LYS A 15 2.456 -13.628 -16.925 1.00 33.14 H new ATOM 0 HZ2 LYS A 15 2.369 -14.599 -15.534 1.00 33.14 H new ATOM 0 HZ3 LYS A 15 1.682 -13.046 -15.530 1.00 33.14 H new ATOM 237 N TYR A 16 6.424 -10.748 -10.791 1.00 11.04 N ATOM 238 CA TYR A 16 7.066 -9.484 -11.131 1.00 51.03 C ATOM 239 C TYR A 16 8.563 -9.539 -10.844 1.00 43.33 C ATOM 240 O TYR A 16 9.036 -10.407 -10.111 1.00 62.41 O ATOM 241 CB TYR A 16 6.427 -8.336 -10.348 1.00 52.12 C ATOM 242 CG TYR A 16 6.793 -6.966 -10.874 1.00 62.52 C ATOM 243 CD1 TYR A 16 7.760 -6.194 -10.243 1.00 25.34 C ATOM 244 CD2 TYR A 16 6.172 -6.444 -12.002 1.00 33.33 C ATOM 245 CE1 TYR A 16 8.098 -4.942 -10.719 1.00 61.21 C ATOM 246 CE2 TYR A 16 6.504 -5.194 -12.486 1.00 71.00 C ATOM 247 CZ TYR A 16 7.467 -4.447 -11.841 1.00 45.22 C ATOM 248 OH TYR A 16 7.800 -3.200 -12.320 1.00 22.23 O ATOM 0 H TYR A 16 6.852 -11.241 -10.007 1.00 11.04 H new ATOM 0 HA TYR A 16 6.925 -9.310 -12.198 1.00 51.03 H new ATOM 0 HB2 TYR A 16 5.343 -8.448 -10.375 1.00 52.12 H new ATOM 0 HB3 TYR A 16 6.729 -8.407 -9.303 1.00 52.12 H new ATOM 0 HD1 TYR A 16 8.256 -6.579 -9.365 1.00 25.34 H new ATOM 0 HD2 TYR A 16 5.417 -7.026 -12.509 1.00 33.33 H new ATOM 0 HE1 TYR A 16 8.852 -4.355 -10.216 1.00 61.21 H new ATOM 0 HE2 TYR A 16 6.012 -4.804 -13.365 1.00 71.00 H new ATOM 0 HH TYR A 16 7.265 -3.002 -13.116 1.00 22.23 H new ATOM 258 N LYS A 17 9.305 -8.603 -11.427 1.00 63.45 N ATOM 259 CA LYS A 17 10.749 -8.541 -11.235 1.00 22.11 C ATOM 260 C LYS A 17 11.100 -7.678 -10.027 1.00 63.11 C ATOM 261 O LYS A 17 10.620 -6.553 -9.896 1.00 31.22 O ATOM 262 CB LYS A 17 11.428 -7.984 -12.488 1.00 41.40 C ATOM 263 CG LYS A 17 12.639 -8.786 -12.932 1.00 75.42 C ATOM 264 CD LYS A 17 13.476 -8.020 -13.942 1.00 51.03 C ATOM 265 CE LYS A 17 14.398 -7.022 -13.259 1.00 53.41 C ATOM 266 NZ LYS A 17 13.890 -5.627 -13.378 1.00 43.41 N ATOM 0 H LYS A 17 8.930 -7.877 -12.037 1.00 63.45 H new ATOM 0 HA LYS A 17 11.110 -9.553 -11.054 1.00 22.11 H new ATOM 0 HB2 LYS A 17 10.703 -7.956 -13.302 1.00 41.40 H new ATOM 0 HB3 LYS A 17 11.734 -6.955 -12.298 1.00 41.40 H new ATOM 0 HG2 LYS A 17 13.251 -9.033 -12.064 1.00 75.42 H new ATOM 0 HG3 LYS A 17 12.311 -9.729 -13.370 1.00 75.42 H new ATOM 0 HD2 LYS A 17 14.068 -8.720 -14.531 1.00 51.03 H new ATOM 0 HD3 LYS A 17 12.820 -7.495 -14.636 1.00 51.03 H new ATOM 0 HE2 LYS A 17 14.499 -7.283 -12.206 1.00 53.41 H new ATOM 0 HE3 LYS A 17 15.393 -7.085 -13.700 1.00 53.41 H new ATOM 0 HZ1 LYS A 17 14.386 -5.142 -14.153 1.00 43.41 H new ATOM 0 HZ2 LYS A 17 12.870 -5.645 -13.578 1.00 43.41 H new ATOM 0 HZ3 LYS A 17 14.059 -5.119 -12.487 1.00 43.41 H new ATOM 280 N ASN A 18 11.942 -8.212 -9.148 1.00 62.43 N ATOM 281 CA ASN A 18 12.358 -7.490 -7.952 1.00 2.03 C ATOM 282 C ASN A 18 13.853 -7.189 -7.990 1.00 64.12 C ATOM 283 O ASN A 18 14.512 -7.391 -9.011 1.00 34.24 O ATOM 284 CB ASN A 18 12.022 -8.301 -6.698 1.00 51.35 C ATOM 285 CG ASN A 18 13.084 -9.335 -6.377 1.00 14.45 C ATOM 286 OD1 ASN A 18 13.822 -9.199 -5.401 1.00 33.54 O ATOM 287 ND2 ASN A 18 13.165 -10.374 -7.198 1.00 60.54 N ATOM 0 H ASN A 18 12.349 -9.142 -9.242 1.00 62.43 H new ATOM 0 HA ASN A 18 11.816 -6.545 -7.922 1.00 2.03 H new ATOM 0 HB2 ASN A 18 11.909 -7.625 -5.851 1.00 51.35 H new ATOM 0 HB3 ASN A 18 11.063 -8.800 -6.837 1.00 51.35 H new ATOM 0 HD21 ASN A 18 13.860 -11.102 -7.032 1.00 60.54 H new ATOM 0 HD22 ASN A 18 12.532 -10.445 -7.995 1.00 60.54 H new ATOM 294 N SER A 19 14.383 -6.705 -6.871 1.00 62.42 N ATOM 295 CA SER A 19 15.800 -6.373 -6.777 1.00 60.55 C ATOM 296 C SER A 19 16.665 -7.567 -7.173 1.00 52.51 C ATOM 297 O SER A 19 17.697 -7.410 -7.825 1.00 10.14 O ATOM 298 CB SER A 19 16.148 -5.926 -5.356 1.00 53.04 C ATOM 299 OG SER A 19 16.397 -4.532 -5.307 1.00 42.14 O ATOM 0 H SER A 19 13.852 -6.534 -6.017 1.00 62.42 H new ATOM 0 HA SER A 19 16.003 -5.554 -7.467 1.00 60.55 H new ATOM 0 HB2 SER A 19 15.329 -6.176 -4.682 1.00 53.04 H new ATOM 0 HB3 SER A 19 17.026 -6.468 -5.006 1.00 53.04 H new ATOM 0 HG SER A 19 16.615 -4.271 -4.388 1.00 42.14 H new ATOM 305 N ALA A 20 16.235 -8.759 -6.774 1.00 21.03 N ATOM 306 CA ALA A 20 16.968 -9.979 -7.087 1.00 73.45 C ATOM 307 C ALA A 20 16.949 -10.261 -8.586 1.00 45.21 C ATOM 308 O ALA A 20 17.909 -10.797 -9.139 1.00 30.04 O ATOM 309 CB ALA A 20 16.385 -11.157 -6.320 1.00 52.02 C ATOM 0 H ALA A 20 15.383 -8.906 -6.233 1.00 21.03 H new ATOM 0 HA ALA A 20 18.005 -9.838 -6.782 1.00 73.45 H new ATOM 0 HB1 ALA A 20 16.942 -12.061 -6.564 1.00 52.02 H new ATOM 0 HB2 ALA A 20 16.455 -10.965 -5.249 1.00 52.02 H new ATOM 0 HB3 ALA A 20 15.339 -11.290 -6.597 1.00 52.02 H new ATOM 315 N GLY A 21 15.850 -9.896 -9.239 1.00 1.21 N ATOM 316 CA GLY A 21 15.728 -10.118 -10.668 1.00 34.12 C ATOM 317 C GLY A 21 15.187 -11.496 -10.996 1.00 11.31 C ATOM 318 O GLY A 21 14.862 -11.786 -12.148 1.00 5.24 O ATOM 0 H GLY A 21 15.042 -9.451 -8.804 1.00 1.21 H new ATOM 0 HA2 GLY A 21 15.070 -9.361 -11.095 1.00 34.12 H new ATOM 0 HA3 GLY A 21 16.704 -9.993 -11.137 1.00 34.12 H new ATOM 322 N LYS A 22 15.091 -12.349 -9.982 1.00 14.33 N ATOM 323 CA LYS A 22 14.586 -13.704 -10.167 1.00 21.23 C ATOM 324 C LYS A 22 13.071 -13.701 -10.346 1.00 64.13 C ATOM 325 O LYS A 22 12.329 -13.338 -9.434 1.00 23.14 O ATOM 326 CB LYS A 22 14.967 -14.580 -8.971 1.00 13.34 C ATOM 327 CG LYS A 22 14.454 -16.006 -9.073 1.00 51.30 C ATOM 328 CD LYS A 22 13.253 -16.233 -8.170 1.00 50.32 C ATOM 329 CE LYS A 22 13.624 -17.054 -6.945 1.00 70.32 C ATOM 330 NZ LYS A 22 12.746 -16.745 -5.783 1.00 74.11 N ATOM 0 H LYS A 22 15.357 -12.126 -9.023 1.00 14.33 H new ATOM 0 HA LYS A 22 15.040 -14.114 -11.069 1.00 21.23 H new ATOM 0 HB2 LYS A 22 16.053 -14.599 -8.877 1.00 13.34 H new ATOM 0 HB3 LYS A 22 14.576 -14.127 -8.060 1.00 13.34 H new ATOM 0 HG2 LYS A 22 14.180 -16.222 -10.106 1.00 51.30 H new ATOM 0 HG3 LYS A 22 15.250 -16.700 -8.803 1.00 51.30 H new ATOM 0 HD2 LYS A 22 12.846 -15.272 -7.856 1.00 50.32 H new ATOM 0 HD3 LYS A 22 12.468 -16.744 -8.728 1.00 50.32 H new ATOM 0 HE2 LYS A 22 13.551 -18.115 -7.183 1.00 70.32 H new ATOM 0 HE3 LYS A 22 14.662 -16.858 -6.678 1.00 70.32 H new ATOM 0 HZ1 LYS A 22 13.031 -17.325 -4.968 1.00 74.11 H new ATOM 0 HZ2 LYS A 22 12.835 -15.738 -5.539 1.00 74.11 H new ATOM 0 HZ3 LYS A 22 11.758 -16.956 -6.029 1.00 74.11 H new ATOM 344 N ASP A 23 12.620 -14.109 -11.527 1.00 54.01 N ATOM 345 CA ASP A 23 11.193 -14.156 -11.825 1.00 52.32 C ATOM 346 C ASP A 23 10.474 -15.124 -10.891 1.00 12.54 C ATOM 347 O ASP A 23 10.713 -16.331 -10.925 1.00 70.13 O ATOM 348 CB ASP A 23 10.967 -14.570 -13.280 1.00 44.22 C ATOM 349 CG ASP A 23 11.851 -15.729 -13.696 1.00 24.22 C ATOM 350 OD1 ASP A 23 11.479 -16.889 -13.418 1.00 4.21 O ATOM 351 OD2 ASP A 23 12.915 -15.477 -14.300 1.00 32.24 O ATOM 0 H ASP A 23 13.221 -14.412 -12.293 1.00 54.01 H new ATOM 0 HA ASP A 23 10.782 -13.158 -11.671 1.00 52.32 H new ATOM 0 HB2 ASP A 23 9.922 -14.846 -13.418 1.00 44.22 H new ATOM 0 HB3 ASP A 23 11.160 -13.718 -13.931 1.00 44.22 H new ATOM 356 N THR A 24 9.592 -14.585 -10.054 1.00 73.41 N ATOM 357 CA THR A 24 8.839 -15.400 -9.108 1.00 65.24 C ATOM 358 C THR A 24 7.345 -15.349 -9.405 1.00 42.34 C ATOM 359 O THR A 24 6.744 -14.274 -9.434 1.00 23.43 O ATOM 360 CB THR A 24 9.079 -14.942 -7.657 1.00 61.24 C ATOM 361 OG1 THR A 24 8.272 -15.713 -6.761 1.00 34.13 O ATOM 362 CG2 THR A 24 8.756 -13.464 -7.496 1.00 33.50 C ATOM 0 H THR A 24 9.382 -13.588 -10.012 1.00 73.41 H new ATOM 0 HA THR A 24 9.194 -16.424 -9.221 1.00 65.24 H new ATOM 0 HB THR A 24 10.132 -15.095 -7.420 1.00 61.24 H new ATOM 0 HG1 THR A 24 8.431 -15.417 -5.840 1.00 34.13 H new ATOM 0 HG21 THR A 24 8.933 -13.163 -6.463 1.00 33.50 H new ATOM 0 HG22 THR A 24 9.393 -12.878 -8.159 1.00 33.50 H new ATOM 0 HG23 THR A 24 7.710 -13.290 -7.750 1.00 33.50 H new ATOM 370 N PHE A 25 6.750 -16.516 -9.626 1.00 32.23 N ATOM 371 CA PHE A 25 5.324 -16.604 -9.921 1.00 5.21 C ATOM 372 C PHE A 25 4.634 -17.587 -8.980 1.00 54.32 C ATOM 373 O PHE A 25 5.197 -18.623 -8.626 1.00 14.13 O ATOM 374 CB PHE A 25 5.108 -17.033 -11.374 1.00 24.14 C ATOM 375 CG PHE A 25 5.506 -18.456 -11.644 1.00 34.25 C ATOM 376 CD1 PHE A 25 4.578 -19.480 -11.538 1.00 23.23 C ATOM 377 CD2 PHE A 25 6.807 -18.770 -12.003 1.00 15.04 C ATOM 378 CE1 PHE A 25 4.940 -20.791 -11.786 1.00 4.12 C ATOM 379 CE2 PHE A 25 7.174 -20.079 -12.252 1.00 43.43 C ATOM 380 CZ PHE A 25 6.240 -21.090 -12.143 1.00 25.44 C ATOM 0 H PHE A 25 7.233 -17.414 -9.607 1.00 32.23 H new ATOM 0 HA PHE A 25 4.885 -15.617 -9.772 1.00 5.21 H new ATOM 0 HB2 PHE A 25 4.057 -16.903 -11.630 1.00 24.14 H new ATOM 0 HB3 PHE A 25 5.679 -16.374 -12.028 1.00 24.14 H new ATOM 0 HD1 PHE A 25 3.560 -19.251 -11.258 1.00 23.23 H new ATOM 0 HD2 PHE A 25 7.542 -17.983 -12.089 1.00 15.04 H new ATOM 0 HE1 PHE A 25 4.207 -21.580 -11.701 1.00 4.12 H new ATOM 0 HE2 PHE A 25 8.191 -20.311 -12.532 1.00 43.43 H new ATOM 0 HZ PHE A 25 6.526 -22.113 -12.337 1.00 25.44 H new ATOM 390 N ILE A 26 3.411 -17.253 -8.580 1.00 24.44 N ATOM 391 CA ILE A 26 2.644 -18.106 -7.681 1.00 35.12 C ATOM 392 C ILE A 26 1.176 -18.160 -8.093 1.00 45.45 C ATOM 393 O ILE A 26 0.520 -17.127 -8.229 1.00 33.04 O ATOM 394 CB ILE A 26 2.738 -17.617 -6.223 1.00 73.14 C ATOM 395 CG1 ILE A 26 1.936 -18.538 -5.301 1.00 2.32 C ATOM 396 CG2 ILE A 26 2.240 -16.184 -6.113 1.00 2.45 C ATOM 397 CD1 ILE A 26 2.780 -19.222 -4.249 1.00 23.42 C ATOM 0 H ILE A 26 2.931 -16.399 -8.864 1.00 24.44 H new ATOM 0 HA ILE A 26 3.076 -19.105 -7.749 1.00 35.12 H new ATOM 0 HB ILE A 26 3.782 -17.643 -5.912 1.00 73.14 H new ATOM 0 HG12 ILE A 26 1.156 -17.957 -4.809 1.00 2.32 H new ATOM 0 HG13 ILE A 26 1.436 -19.296 -5.904 1.00 2.32 H new ATOM 0 HG21 ILE A 26 2.312 -15.852 -5.077 1.00 2.45 H new ATOM 0 HG22 ILE A 26 2.849 -15.538 -6.745 1.00 2.45 H new ATOM 0 HG23 ILE A 26 1.201 -16.134 -6.438 1.00 2.45 H new ATOM 0 HD11 ILE A 26 2.146 -19.859 -3.632 1.00 23.42 H new ATOM 0 HD12 ILE A 26 3.543 -19.831 -4.734 1.00 23.42 H new ATOM 0 HD13 ILE A 26 3.260 -18.470 -3.622 1.00 23.42 H new ATOM 409 N LYS A 27 0.667 -19.371 -8.291 1.00 10.30 N ATOM 410 CA LYS A 27 -0.724 -19.561 -8.685 1.00 62.32 C ATOM 411 C LYS A 27 -1.650 -19.463 -7.477 1.00 70.13 C ATOM 412 O LYS A 27 -1.308 -19.909 -6.382 1.00 21.32 O ATOM 413 CB LYS A 27 -0.900 -20.920 -9.368 1.00 14.35 C ATOM 414 CG LYS A 27 -0.817 -22.096 -8.411 1.00 32.43 C ATOM 415 CD LYS A 27 0.027 -23.222 -8.984 1.00 21.34 C ATOM 416 CE LYS A 27 0.077 -24.416 -8.042 1.00 73.25 C ATOM 417 NZ LYS A 27 1.324 -25.210 -8.219 1.00 61.21 N ATOM 0 H LYS A 27 1.197 -20.236 -8.185 1.00 10.30 H new ATOM 0 HA LYS A 27 -0.988 -18.771 -9.388 1.00 62.32 H new ATOM 0 HB2 LYS A 27 -1.865 -20.941 -9.873 1.00 14.35 H new ATOM 0 HB3 LYS A 27 -0.135 -21.033 -10.137 1.00 14.35 H new ATOM 0 HG2 LYS A 27 -0.391 -21.766 -7.464 1.00 32.43 H new ATOM 0 HG3 LYS A 27 -1.820 -22.464 -8.198 1.00 32.43 H new ATOM 0 HD2 LYS A 27 -0.383 -23.532 -9.945 1.00 21.34 H new ATOM 0 HD3 LYS A 27 1.039 -22.861 -9.170 1.00 21.34 H new ATOM 0 HE2 LYS A 27 0.011 -24.068 -7.011 1.00 73.25 H new ATOM 0 HE3 LYS A 27 -0.788 -25.055 -8.219 1.00 73.25 H new ATOM 0 HZ1 LYS A 27 1.320 -26.014 -7.560 1.00 61.21 H new ATOM 0 HZ2 LYS A 27 1.375 -25.563 -9.196 1.00 61.21 H new ATOM 0 HZ3 LYS A 27 2.149 -24.608 -8.025 1.00 61.21 H new ATOM 431 N CYS A 28 -2.825 -18.878 -7.684 1.00 42.43 N ATOM 432 CA CYS A 28 -3.801 -18.722 -6.613 1.00 54.42 C ATOM 433 C CYS A 28 -5.089 -19.473 -6.938 1.00 33.24 C ATOM 434 O CYS A 28 -5.512 -19.562 -8.090 1.00 61.35 O ATOM 435 CB CYS A 28 -4.106 -17.240 -6.385 1.00 14.14 C ATOM 436 SG CYS A 28 -2.631 -16.172 -6.359 1.00 25.42 S ATOM 0 H CYS A 28 -3.124 -18.504 -8.585 1.00 42.43 H new ATOM 0 HA CYS A 28 -3.375 -19.143 -5.702 1.00 54.42 H new ATOM 0 HB2 CYS A 28 -4.778 -16.894 -7.170 1.00 14.14 H new ATOM 0 HB3 CYS A 28 -4.637 -17.131 -5.439 1.00 14.14 H new ATOM 441 N PRO A 29 -5.729 -20.027 -5.897 1.00 30.21 N ATOM 442 CA PRO A 29 -6.978 -20.780 -6.045 1.00 70.13 C ATOM 443 C PRO A 29 -8.154 -19.884 -6.417 1.00 54.12 C ATOM 444 O PRO A 29 -7.970 -18.740 -6.834 1.00 22.13 O ATOM 445 CB PRO A 29 -7.190 -21.393 -4.659 1.00 1.55 C ATOM 446 CG PRO A 29 -6.466 -20.482 -3.728 1.00 21.13 C ATOM 447 CD PRO A 29 -5.283 -19.961 -4.495 1.00 44.23 C ATOM 0 HA PRO A 29 -6.917 -21.516 -6.846 1.00 70.13 H new ATOM 0 HB2 PRO A 29 -8.250 -21.453 -4.410 1.00 1.55 H new ATOM 0 HB3 PRO A 29 -6.793 -22.407 -4.609 1.00 1.55 H new ATOM 0 HG2 PRO A 29 -7.110 -19.665 -3.402 1.00 21.13 H new ATOM 0 HG3 PRO A 29 -6.147 -21.014 -2.832 1.00 21.13 H new ATOM 0 HD2 PRO A 29 -5.031 -18.942 -4.201 1.00 44.23 H new ATOM 0 HD3 PRO A 29 -4.395 -20.570 -4.327 1.00 44.23 H new ATOM 455 N LYS A 30 -9.365 -20.410 -6.264 1.00 23.21 N ATOM 456 CA LYS A 30 -10.573 -19.658 -6.582 1.00 4.13 C ATOM 457 C LYS A 30 -11.311 -19.251 -5.310 1.00 65.13 C ATOM 458 O LYS A 30 -12.455 -18.800 -5.362 1.00 71.41 O ATOM 459 CB LYS A 30 -11.495 -20.489 -7.476 1.00 34.11 C ATOM 460 CG LYS A 30 -10.939 -20.729 -8.869 1.00 3.15 C ATOM 461 CD LYS A 30 -11.019 -19.476 -9.725 1.00 31.14 C ATOM 462 CE LYS A 30 -12.440 -19.217 -10.201 1.00 11.32 C ATOM 463 NZ LYS A 30 -13.056 -18.055 -9.502 1.00 1.21 N ATOM 0 H LYS A 30 -9.536 -21.355 -5.921 1.00 23.21 H new ATOM 0 HA LYS A 30 -10.279 -18.754 -7.115 1.00 4.13 H new ATOM 0 HB2 LYS A 30 -11.681 -21.451 -6.998 1.00 34.11 H new ATOM 0 HB3 LYS A 30 -12.457 -19.984 -7.560 1.00 34.11 H new ATOM 0 HG2 LYS A 30 -9.902 -21.055 -8.796 1.00 3.15 H new ATOM 0 HG3 LYS A 30 -11.494 -21.535 -9.349 1.00 3.15 H new ATOM 0 HD2 LYS A 30 -10.664 -18.619 -9.152 1.00 31.14 H new ATOM 0 HD3 LYS A 30 -10.359 -19.579 -10.586 1.00 31.14 H new ATOM 0 HE2 LYS A 30 -12.435 -19.034 -11.275 1.00 11.32 H new ATOM 0 HE3 LYS A 30 -13.047 -20.106 -10.032 1.00 11.32 H new ATOM 0 HZ1 LYS A 30 -14.092 -18.127 -9.556 1.00 1.21 H new ATOM 0 HZ2 LYS A 30 -12.761 -18.053 -8.505 1.00 1.21 H new ATOM 0 HZ3 LYS A 30 -12.746 -17.172 -9.956 1.00 1.21 H new ATOM 477 N PHE A 31 -10.648 -19.412 -4.170 1.00 4.43 N ATOM 478 CA PHE A 31 -11.241 -19.060 -2.885 1.00 21.43 C ATOM 479 C PHE A 31 -11.033 -17.581 -2.576 1.00 3.41 C ATOM 480 O PHE A 31 -10.324 -16.878 -3.298 1.00 34.53 O ATOM 481 CB PHE A 31 -10.637 -19.916 -1.769 1.00 45.32 C ATOM 482 CG PHE A 31 -11.635 -20.338 -0.730 1.00 11.34 C ATOM 483 CD1 PHE A 31 -11.606 -19.788 0.542 1.00 41.43 C ATOM 484 CD2 PHE A 31 -12.603 -21.285 -1.024 1.00 4.04 C ATOM 485 CE1 PHE A 31 -12.524 -20.173 1.501 1.00 64.43 C ATOM 486 CE2 PHE A 31 -13.523 -21.674 -0.069 1.00 31.31 C ATOM 487 CZ PHE A 31 -13.483 -21.119 1.195 1.00 2.20 C ATOM 0 H PHE A 31 -9.700 -19.784 -4.110 1.00 4.43 H new ATOM 0 HA PHE A 31 -12.312 -19.253 -2.943 1.00 21.43 H new ATOM 0 HB2 PHE A 31 -10.184 -20.805 -2.209 1.00 45.32 H new ATOM 0 HB3 PHE A 31 -9.836 -19.356 -1.286 1.00 45.32 H new ATOM 0 HD1 PHE A 31 -10.857 -19.050 0.787 1.00 41.43 H new ATOM 0 HD2 PHE A 31 -12.639 -21.724 -2.010 1.00 4.04 H new ATOM 0 HE1 PHE A 31 -12.492 -19.735 2.488 1.00 64.43 H new ATOM 0 HE2 PHE A 31 -14.273 -22.412 -0.311 1.00 31.31 H new ATOM 0 HZ PHE A 31 -14.200 -21.424 1.943 1.00 2.20 H new ATOM 497 N ASP A 32 -11.655 -17.114 -1.499 1.00 73.02 N ATOM 498 CA ASP A 32 -11.539 -15.718 -1.093 1.00 62.24 C ATOM 499 C ASP A 32 -10.078 -15.335 -0.877 1.00 70.22 C ATOM 500 O ASP A 32 -9.236 -16.190 -0.605 1.00 40.24 O ATOM 501 CB ASP A 32 -12.339 -15.468 0.186 1.00 71.32 C ATOM 502 CG ASP A 32 -13.764 -15.037 -0.098 1.00 55.10 C ATOM 503 OD1 ASP A 32 -14.016 -13.814 -0.147 1.00 32.50 O ATOM 504 OD2 ASP A 32 -14.628 -15.922 -0.272 1.00 51.30 O ATOM 0 H ASP A 32 -12.245 -17.682 -0.891 1.00 73.02 H new ATOM 0 HA ASP A 32 -11.945 -15.098 -1.892 1.00 62.24 H new ATOM 0 HB2 ASP A 32 -12.350 -16.377 0.788 1.00 71.32 H new ATOM 0 HB3 ASP A 32 -11.841 -14.700 0.778 1.00 71.32 H new ATOM 509 N ASN A 33 -9.785 -14.045 -1.001 1.00 53.33 N ATOM 510 CA ASN A 33 -8.426 -13.549 -0.821 1.00 43.41 C ATOM 511 C ASN A 33 -7.450 -14.296 -1.724 1.00 63.34 C ATOM 512 O ASN A 33 -6.245 -14.322 -1.470 1.00 34.03 O ATOM 513 CB ASN A 33 -7.998 -13.692 0.641 1.00 64.43 C ATOM 514 CG ASN A 33 -6.809 -12.815 0.984 1.00 30.40 C ATOM 515 OD1 ASN A 33 -6.242 -12.152 0.116 1.00 10.40 O ATOM 516 ND2 ASN A 33 -6.426 -12.809 2.256 1.00 71.45 N ATOM 0 H ASN A 33 -10.471 -13.324 -1.225 1.00 53.33 H new ATOM 0 HA ASN A 33 -8.412 -12.494 -1.095 1.00 43.41 H new ATOM 0 HB2 ASN A 33 -8.836 -13.433 1.289 1.00 64.43 H new ATOM 0 HB3 ASN A 33 -7.748 -14.734 0.843 1.00 64.43 H new ATOM 0 HD21 ASN A 33 -5.632 -12.239 2.547 1.00 71.45 H new ATOM 0 HD22 ASN A 33 -6.926 -13.375 2.942 1.00 71.45 H new ATOM 523 N LYS A 34 -7.977 -14.904 -2.782 1.00 14.22 N ATOM 524 CA LYS A 34 -7.154 -15.651 -3.725 1.00 54.14 C ATOM 525 C LYS A 34 -7.664 -15.472 -5.152 1.00 31.50 C ATOM 526 O LYS A 34 -7.590 -16.391 -5.968 1.00 61.14 O ATOM 527 CB LYS A 34 -7.143 -17.137 -3.359 1.00 0.33 C ATOM 528 CG LYS A 34 -6.657 -17.411 -1.946 1.00 42.21 C ATOM 529 CD LYS A 34 -5.145 -17.297 -1.845 1.00 21.51 C ATOM 530 CE LYS A 34 -4.592 -18.187 -0.742 1.00 1.11 C ATOM 531 NZ LYS A 34 -4.869 -19.627 -0.999 1.00 75.13 N ATOM 0 H LYS A 34 -8.972 -14.894 -3.008 1.00 14.22 H new ATOM 0 HA LYS A 34 -6.137 -15.262 -3.669 1.00 54.14 H new ATOM 0 HB2 LYS A 34 -8.150 -17.538 -3.472 1.00 0.33 H new ATOM 0 HB3 LYS A 34 -6.506 -17.672 -4.064 1.00 0.33 H new ATOM 0 HG2 LYS A 34 -7.123 -16.707 -1.257 1.00 42.21 H new ATOM 0 HG3 LYS A 34 -6.969 -18.410 -1.640 1.00 42.21 H new ATOM 0 HD2 LYS A 34 -4.694 -17.573 -2.798 1.00 21.51 H new ATOM 0 HD3 LYS A 34 -4.869 -16.261 -1.650 1.00 21.51 H new ATOM 0 HE2 LYS A 34 -3.516 -18.034 -0.657 1.00 1.11 H new ATOM 0 HE3 LYS A 34 -5.031 -17.898 0.213 1.00 1.11 H new ATOM 0 HZ1 LYS A 34 -4.323 -20.210 -0.333 1.00 75.13 H new ATOM 0 HZ2 LYS A 34 -5.884 -19.814 -0.871 1.00 75.13 H new ATOM 0 HZ3 LYS A 34 -4.594 -19.865 -1.973 1.00 75.13 H new ATOM 545 N LYS A 35 -8.180 -14.284 -5.447 1.00 34.24 N ATOM 546 CA LYS A 35 -8.700 -13.983 -6.775 1.00 70.33 C ATOM 547 C LYS A 35 -7.607 -13.407 -7.669 1.00 42.33 C ATOM 548 O LYS A 35 -6.677 -12.758 -7.190 1.00 5.11 O ATOM 549 CB LYS A 35 -9.867 -12.998 -6.678 1.00 43.30 C ATOM 550 CG LYS A 35 -9.430 -11.547 -6.573 1.00 10.22 C ATOM 551 CD LYS A 35 -10.621 -10.616 -6.414 1.00 63.23 C ATOM 552 CE LYS A 35 -10.294 -9.443 -5.503 1.00 62.01 C ATOM 553 NZ LYS A 35 -11.521 -8.837 -4.917 1.00 54.35 N ATOM 0 H LYS A 35 -8.249 -13.513 -4.783 1.00 34.24 H new ATOM 0 HA LYS A 35 -9.055 -14.913 -7.218 1.00 70.33 H new ATOM 0 HB2 LYS A 35 -10.504 -13.115 -7.555 1.00 43.30 H new ATOM 0 HB3 LYS A 35 -10.473 -13.250 -5.808 1.00 43.30 H new ATOM 0 HG2 LYS A 35 -8.759 -11.429 -5.722 1.00 10.22 H new ATOM 0 HG3 LYS A 35 -8.867 -11.270 -7.464 1.00 10.22 H new ATOM 0 HD2 LYS A 35 -10.927 -10.244 -7.392 1.00 63.23 H new ATOM 0 HD3 LYS A 35 -11.466 -11.171 -6.006 1.00 63.23 H new ATOM 0 HE2 LYS A 35 -9.636 -9.778 -4.701 1.00 62.01 H new ATOM 0 HE3 LYS A 35 -9.749 -8.686 -6.067 1.00 62.01 H new ATOM 0 HZ1 LYS A 35 -11.256 -8.041 -4.302 1.00 54.35 H new ATOM 0 HZ2 LYS A 35 -12.138 -8.494 -5.681 1.00 54.35 H new ATOM 0 HZ3 LYS A 35 -12.028 -9.552 -4.358 1.00 54.35 H new ATOM 567 N CYS A 36 -7.726 -13.646 -8.971 1.00 23.21 N ATOM 568 CA CYS A 36 -6.749 -13.150 -9.933 1.00 22.24 C ATOM 569 C CYS A 36 -7.419 -12.274 -10.987 1.00 35.13 C ATOM 570 O CYS A 36 -8.512 -12.583 -11.464 1.00 12.43 O ATOM 571 CB CYS A 36 -6.028 -14.319 -10.608 1.00 53.31 C ATOM 572 SG CYS A 36 -4.254 -14.029 -10.901 1.00 22.03 S ATOM 0 H CYS A 36 -8.490 -14.181 -9.384 1.00 23.21 H new ATOM 0 HA CYS A 36 -6.020 -12.545 -9.394 1.00 22.24 H new ATOM 0 HB2 CYS A 36 -6.142 -15.209 -9.989 1.00 53.31 H new ATOM 0 HB3 CYS A 36 -6.513 -14.530 -11.561 1.00 53.31 H new ATOM 577 N THR A 37 -6.757 -11.179 -11.347 1.00 12.13 N ATOM 578 CA THR A 37 -7.288 -10.257 -12.343 1.00 34.31 C ATOM 579 C THR A 37 -6.227 -9.891 -13.374 1.00 73.23 C ATOM 580 O THR A 37 -5.138 -10.464 -13.390 1.00 63.41 O ATOM 581 CB THR A 37 -7.819 -8.968 -11.689 1.00 1.42 C ATOM 582 OG1 THR A 37 -8.018 -9.176 -10.286 1.00 41.31 O ATOM 583 CG2 THR A 37 -9.127 -8.533 -12.333 1.00 2.33 C ATOM 0 H THR A 37 -5.851 -10.909 -10.963 1.00 12.13 H new ATOM 0 HA THR A 37 -8.112 -10.769 -12.840 1.00 34.31 H new ATOM 0 HB THR A 37 -7.080 -8.181 -11.838 1.00 1.42 H new ATOM 0 HG1 THR A 37 -8.354 -8.351 -9.877 1.00 41.31 H new ATOM 0 HG21 THR A 37 -9.482 -7.621 -11.854 1.00 2.33 H new ATOM 0 HG22 THR A 37 -8.965 -8.347 -13.395 1.00 2.33 H new ATOM 0 HG23 THR A 37 -9.872 -9.320 -12.212 1.00 2.33 H new ATOM 591 N LYS A 38 -6.551 -8.932 -14.235 1.00 35.21 N ATOM 592 CA LYS A 38 -5.626 -8.487 -15.270 1.00 24.04 C ATOM 593 C LYS A 38 -4.267 -8.138 -14.670 1.00 50.14 C ATOM 594 O LYS A 38 -4.171 -7.769 -13.500 1.00 3.32 O ATOM 595 CB LYS A 38 -6.197 -7.273 -16.006 1.00 60.43 C ATOM 596 CG LYS A 38 -6.229 -7.438 -17.516 1.00 5.20 C ATOM 597 CD LYS A 38 -5.685 -6.207 -18.222 1.00 64.33 C ATOM 598 CE LYS A 38 -6.565 -4.991 -17.980 1.00 40.21 C ATOM 599 NZ LYS A 38 -6.177 -3.844 -18.847 1.00 73.04 N ATOM 0 H LYS A 38 -7.449 -8.448 -14.236 1.00 35.21 H new ATOM 0 HA LYS A 38 -5.492 -9.304 -15.979 1.00 24.04 H new ATOM 0 HB2 LYS A 38 -7.209 -7.084 -15.648 1.00 60.43 H new ATOM 0 HB3 LYS A 38 -5.602 -6.394 -15.757 1.00 60.43 H new ATOM 0 HG2 LYS A 38 -5.642 -8.311 -17.800 1.00 5.20 H new ATOM 0 HG3 LYS A 38 -7.253 -7.623 -17.841 1.00 5.20 H new ATOM 0 HD2 LYS A 38 -4.674 -6.002 -17.870 1.00 64.33 H new ATOM 0 HD3 LYS A 38 -5.617 -6.401 -19.292 1.00 64.33 H new ATOM 0 HE2 LYS A 38 -7.606 -5.253 -18.169 1.00 40.21 H new ATOM 0 HE3 LYS A 38 -6.495 -4.695 -16.933 1.00 40.21 H new ATOM 0 HZ1 LYS A 38 -6.801 -3.035 -18.652 1.00 73.04 H new ATOM 0 HZ2 LYS A 38 -5.191 -3.577 -18.649 1.00 73.04 H new ATOM 0 HZ3 LYS A 38 -6.268 -4.118 -19.846 1.00 73.04 H new ATOM 613 N ASP A 39 -3.221 -8.256 -15.480 1.00 44.31 N ATOM 614 CA ASP A 39 -1.867 -7.950 -15.030 1.00 55.13 C ATOM 615 C ASP A 39 -1.793 -6.541 -14.450 1.00 50.13 C ATOM 616 O ASP A 39 -1.390 -6.352 -13.303 1.00 51.14 O ATOM 617 CB ASP A 39 -0.878 -8.091 -16.188 1.00 71.11 C ATOM 618 CG ASP A 39 -1.475 -7.665 -17.515 1.00 10.11 C ATOM 619 OD1 ASP A 39 -1.308 -6.485 -17.890 1.00 21.15 O ATOM 620 OD2 ASP A 39 -2.109 -8.511 -18.179 1.00 65.32 O ATOM 0 H ASP A 39 -3.284 -8.561 -16.451 1.00 44.31 H new ATOM 0 HA ASP A 39 -1.601 -8.660 -14.247 1.00 55.13 H new ATOM 0 HB2 ASP A 39 0.007 -7.489 -15.981 1.00 71.11 H new ATOM 0 HB3 ASP A 39 -0.549 -9.128 -16.257 1.00 71.11 H new ATOM 625 N ASN A 40 -2.184 -5.555 -15.252 1.00 24.24 N ATOM 626 CA ASN A 40 -2.160 -4.163 -14.818 1.00 45.23 C ATOM 627 C ASN A 40 -3.417 -3.818 -14.026 1.00 3.03 C ATOM 628 O ASN A 40 -3.563 -2.702 -13.530 1.00 11.24 O ATOM 629 CB ASN A 40 -2.034 -3.233 -16.027 1.00 1.12 C ATOM 630 CG ASN A 40 -0.611 -3.147 -16.545 1.00 73.41 C ATOM 631 OD1 ASN A 40 -0.167 -2.094 -17.001 1.00 11.54 O ATOM 632 ND2 ASN A 40 0.111 -4.260 -16.478 1.00 35.10 N ATOM 0 H ASN A 40 -2.521 -5.694 -16.205 1.00 24.24 H new ATOM 0 HA ASN A 40 -1.295 -4.025 -14.170 1.00 45.23 H new ATOM 0 HB2 ASN A 40 -2.687 -3.588 -16.824 1.00 1.12 H new ATOM 0 HB3 ASN A 40 -2.379 -2.236 -15.752 1.00 1.12 H new ATOM 0 HD21 ASN A 40 1.075 -4.264 -16.813 1.00 35.10 H new ATOM 0 HD22 ASN A 40 -0.298 -5.111 -16.092 1.00 35.10 H new ATOM 639 N ASN A 41 -4.321 -4.785 -13.911 1.00 31.12 N ATOM 640 CA ASN A 41 -5.566 -4.584 -13.178 1.00 72.24 C ATOM 641 C ASN A 41 -5.297 -3.987 -11.801 1.00 5.03 C ATOM 642 O ASN A 41 -5.331 -2.769 -11.622 1.00 23.32 O ATOM 643 CB ASN A 41 -6.317 -5.910 -13.034 1.00 42.41 C ATOM 644 CG ASN A 41 -7.627 -5.754 -12.286 1.00 4.23 C ATOM 645 OD1 ASN A 41 -8.635 -5.337 -12.856 1.00 45.24 O ATOM 646 ND2 ASN A 41 -7.617 -6.089 -11.001 1.00 11.22 N ATOM 0 H ASN A 41 -4.215 -5.715 -14.316 1.00 31.12 H new ATOM 0 HA ASN A 41 -6.182 -3.884 -13.743 1.00 72.24 H new ATOM 0 HB2 ASN A 41 -6.514 -6.322 -14.024 1.00 42.41 H new ATOM 0 HB3 ASN A 41 -5.685 -6.627 -12.510 1.00 42.41 H new ATOM 0 HD21 ASN A 41 -8.468 -6.005 -10.445 1.00 11.22 H new ATOM 0 HD22 ASN A 41 -6.758 -6.430 -10.570 1.00 11.22 H new ATOM 653 N LYS A 42 -5.028 -4.852 -10.829 1.00 63.50 N ATOM 654 CA LYS A 42 -4.750 -4.412 -9.467 1.00 21.50 C ATOM 655 C LYS A 42 -3.902 -5.441 -8.725 1.00 43.34 C ATOM 656 O LYS A 42 -4.075 -5.654 -7.525 1.00 74.42 O ATOM 657 CB LYS A 42 -6.058 -4.173 -8.710 1.00 20.04 C ATOM 658 CG LYS A 42 -6.730 -2.856 -9.057 1.00 5.31 C ATOM 659 CD LYS A 42 -7.697 -2.420 -7.970 1.00 14.42 C ATOM 660 CE LYS A 42 -9.004 -3.194 -8.044 1.00 15.12 C ATOM 661 NZ LYS A 42 -9.098 -4.227 -6.975 1.00 55.22 N ATOM 0 H LYS A 42 -4.997 -5.863 -10.960 1.00 63.50 H new ATOM 0 HA LYS A 42 -4.192 -3.477 -9.520 1.00 21.50 H new ATOM 0 HB2 LYS A 42 -6.747 -4.990 -8.925 1.00 20.04 H new ATOM 0 HB3 LYS A 42 -5.858 -4.198 -7.639 1.00 20.04 H new ATOM 0 HG2 LYS A 42 -5.972 -2.086 -9.201 1.00 5.31 H new ATOM 0 HG3 LYS A 42 -7.265 -2.957 -10.002 1.00 5.31 H new ATOM 0 HD2 LYS A 42 -7.239 -2.570 -6.992 1.00 14.42 H new ATOM 0 HD3 LYS A 42 -7.899 -1.353 -8.067 1.00 14.42 H new ATOM 0 HE2 LYS A 42 -9.841 -2.502 -7.955 1.00 15.12 H new ATOM 0 HE3 LYS A 42 -9.088 -3.672 -9.020 1.00 15.12 H new ATOM 0 HZ1 LYS A 42 -10.003 -4.733 -7.059 1.00 55.22 H new ATOM 0 HZ2 LYS A 42 -8.313 -4.902 -7.075 1.00 55.22 H new ATOM 0 HZ3 LYS A 42 -9.043 -3.768 -6.043 1.00 55.22 H new ATOM 675 N CYS A 43 -2.983 -6.074 -9.447 1.00 21.03 N ATOM 676 CA CYS A 43 -2.106 -7.079 -8.858 1.00 34.14 C ATOM 677 C CYS A 43 -0.961 -6.421 -8.093 1.00 35.33 C ATOM 678 O CYS A 43 -0.266 -5.552 -8.619 1.00 61.14 O ATOM 679 CB CYS A 43 -1.546 -7.998 -9.945 1.00 34.10 C ATOM 680 SG CYS A 43 -0.164 -9.048 -9.392 1.00 32.01 S ATOM 0 H CYS A 43 -2.826 -5.909 -10.441 1.00 21.03 H new ATOM 0 HA CYS A 43 -2.694 -7.672 -8.158 1.00 34.14 H new ATOM 0 HB2 CYS A 43 -2.348 -8.637 -10.314 1.00 34.10 H new ATOM 0 HB3 CYS A 43 -1.212 -7.388 -10.784 1.00 34.10 H new ATOM 685 N THR A 44 -0.771 -6.842 -6.846 1.00 62.42 N ATOM 686 CA THR A 44 0.288 -6.295 -6.008 1.00 2.30 C ATOM 687 C THR A 44 0.796 -7.333 -5.014 1.00 73.44 C ATOM 688 O THR A 44 0.126 -8.332 -4.748 1.00 0.51 O ATOM 689 CB THR A 44 -0.193 -5.053 -5.234 1.00 53.11 C ATOM 690 OG1 THR A 44 -1.574 -4.804 -5.518 1.00 55.33 O ATOM 691 CG2 THR A 44 0.634 -3.831 -5.603 1.00 41.10 C ATOM 0 H THR A 44 -1.337 -7.560 -6.395 1.00 62.42 H new ATOM 0 HA THR A 44 1.101 -6.007 -6.675 1.00 2.30 H new ATOM 0 HB THR A 44 -0.070 -5.246 -4.168 1.00 53.11 H new ATOM 0 HG1 THR A 44 -1.873 -4.014 -5.021 1.00 55.33 H new ATOM 0 HG21 THR A 44 0.276 -2.967 -5.044 1.00 41.10 H new ATOM 0 HG22 THR A 44 1.681 -4.013 -5.359 1.00 41.10 H new ATOM 0 HG23 THR A 44 0.539 -3.637 -6.671 1.00 41.10 H new ATOM 699 N VAL A 45 1.983 -7.092 -4.468 1.00 21.32 N ATOM 700 CA VAL A 45 2.580 -8.007 -3.501 1.00 52.44 C ATOM 701 C VAL A 45 2.503 -7.440 -2.088 1.00 53.43 C ATOM 702 O VAL A 45 3.112 -6.413 -1.786 1.00 61.50 O ATOM 703 CB VAL A 45 4.052 -8.303 -3.844 1.00 72.21 C ATOM 704 CG1 VAL A 45 4.828 -7.009 -4.032 1.00 10.44 C ATOM 705 CG2 VAL A 45 4.687 -9.164 -2.762 1.00 43.45 C ATOM 0 H VAL A 45 2.551 -6.271 -4.678 1.00 21.32 H new ATOM 0 HA VAL A 45 2.010 -8.935 -3.549 1.00 52.44 H new ATOM 0 HB VAL A 45 4.085 -8.856 -4.783 1.00 72.21 H new ATOM 0 HG11 VAL A 45 5.866 -7.239 -4.274 1.00 10.44 H new ATOM 0 HG12 VAL A 45 4.385 -6.434 -4.845 1.00 10.44 H new ATOM 0 HG13 VAL A 45 4.790 -6.425 -3.112 1.00 10.44 H new ATOM 0 HG21 VAL A 45 5.727 -9.364 -3.020 1.00 43.45 H new ATOM 0 HG22 VAL A 45 4.644 -8.639 -1.808 1.00 43.45 H new ATOM 0 HG23 VAL A 45 4.145 -10.107 -2.682 1.00 43.45 H new ATOM 715 N ASP A 46 1.750 -8.115 -1.226 1.00 42.54 N ATOM 716 CA ASP A 46 1.594 -7.679 0.157 1.00 61.24 C ATOM 717 C ASP A 46 1.597 -8.873 1.106 1.00 61.42 C ATOM 718 O ASP A 46 1.183 -9.974 0.739 1.00 42.32 O ATOM 719 CB ASP A 46 0.297 -6.885 0.320 1.00 4.15 C ATOM 720 CG ASP A 46 0.210 -5.714 -0.639 1.00 25.13 C ATOM 721 OD1 ASP A 46 -0.826 -5.583 -1.323 1.00 61.35 O ATOM 722 OD2 ASP A 46 1.178 -4.928 -0.704 1.00 24.11 O ATOM 0 H ASP A 46 1.238 -8.966 -1.460 1.00 42.54 H new ATOM 0 HA ASP A 46 2.438 -7.036 0.408 1.00 61.24 H new ATOM 0 HB2 ASP A 46 -0.554 -7.547 0.158 1.00 4.15 H new ATOM 0 HB3 ASP A 46 0.225 -6.518 1.344 1.00 4.15 H new ATOM 727 N THR A 47 2.068 -8.650 2.329 1.00 51.21 N ATOM 728 CA THR A 47 2.127 -9.707 3.330 1.00 23.12 C ATOM 729 C THR A 47 1.664 -9.202 4.692 1.00 45.53 C ATOM 730 O THR A 47 1.728 -9.923 5.687 1.00 23.22 O ATOM 731 CB THR A 47 3.553 -10.275 3.464 1.00 72.14 C ATOM 732 OG1 THR A 47 4.496 -9.377 2.868 1.00 12.13 O ATOM 733 CG2 THR A 47 3.656 -11.640 2.799 1.00 11.15 C ATOM 0 H THR A 47 2.414 -7.746 2.650 1.00 51.21 H new ATOM 0 HA THR A 47 1.458 -10.499 2.993 1.00 23.12 H new ATOM 0 HB THR A 47 3.778 -10.386 4.525 1.00 72.14 H new ATOM 0 HG1 THR A 47 5.400 -9.744 2.959 1.00 12.13 H new ATOM 0 HG21 THR A 47 4.671 -12.021 2.906 1.00 11.15 H new ATOM 0 HG22 THR A 47 2.958 -12.329 3.273 1.00 11.15 H new ATOM 0 HG23 THR A 47 3.413 -11.548 1.740 1.00 11.15 H new ATOM 741 N TYR A 48 1.198 -7.958 4.729 1.00 61.34 N ATOM 742 CA TYR A 48 0.726 -7.356 5.969 1.00 12.44 C ATOM 743 C TYR A 48 -0.677 -7.846 6.313 1.00 14.45 C ATOM 744 O TYR A 48 -0.973 -8.157 7.466 1.00 3.14 O ATOM 745 CB TYR A 48 0.732 -5.830 5.855 1.00 74.35 C ATOM 746 CG TYR A 48 2.103 -5.216 6.023 1.00 54.51 C ATOM 747 CD1 TYR A 48 2.610 -4.332 5.078 1.00 20.10 C ATOM 748 CD2 TYR A 48 2.891 -5.519 7.126 1.00 0.40 C ATOM 749 CE1 TYR A 48 3.862 -3.768 5.227 1.00 24.32 C ATOM 750 CE2 TYR A 48 4.144 -4.959 7.284 1.00 12.42 C ATOM 751 CZ TYR A 48 4.625 -4.084 6.332 1.00 22.31 C ATOM 752 OH TYR A 48 5.873 -3.525 6.485 1.00 23.43 O ATOM 0 H TYR A 48 1.137 -7.348 3.914 1.00 61.34 H new ATOM 0 HA TYR A 48 1.402 -7.656 6.769 1.00 12.44 H new ATOM 0 HB2 TYR A 48 0.332 -5.545 4.882 1.00 74.35 H new ATOM 0 HB3 TYR A 48 0.062 -5.415 6.608 1.00 74.35 H new ATOM 0 HD1 TYR A 48 2.015 -4.082 4.212 1.00 20.10 H new ATOM 0 HD2 TYR A 48 2.518 -6.204 7.873 1.00 0.40 H new ATOM 0 HE1 TYR A 48 4.241 -3.084 4.483 1.00 24.32 H new ATOM 0 HE2 TYR A 48 4.744 -5.205 8.148 1.00 12.42 H new ATOM 0 HH TYR A 48 6.278 -3.851 7.316 1.00 23.43 H new ATOM 762 N ASN A 49 -1.538 -7.912 5.303 1.00 13.31 N ATOM 763 CA ASN A 49 -2.911 -8.364 5.497 1.00 12.21 C ATOM 764 C ASN A 49 -3.034 -9.860 5.227 1.00 74.33 C ATOM 765 O ASN A 49 -4.137 -10.402 5.167 1.00 55.45 O ATOM 766 CB ASN A 49 -3.860 -7.589 4.580 1.00 2.23 C ATOM 767 CG ASN A 49 -5.278 -7.548 5.117 1.00 63.54 C ATOM 768 OD1 ASN A 49 -5.644 -8.330 5.994 1.00 23.25 O ATOM 769 ND2 ASN A 49 -6.084 -6.634 4.589 1.00 22.43 N ATOM 0 H ASN A 49 -1.309 -7.658 4.342 1.00 13.31 H new ATOM 0 HA ASN A 49 -3.186 -8.176 6.535 1.00 12.21 H new ATOM 0 HB2 ASN A 49 -3.491 -6.571 4.457 1.00 2.23 H new ATOM 0 HB3 ASN A 49 -3.862 -8.049 3.592 1.00 2.23 H new ATOM 0 HD21 ASN A 49 -7.050 -6.560 4.909 1.00 22.43 H new ATOM 0 HD22 ASN A 49 -5.737 -6.006 3.864 1.00 22.43 H new ATOM 776 N ASN A 50 -1.894 -10.523 5.065 1.00 4.31 N ATOM 777 CA ASN A 50 -1.873 -11.957 4.801 1.00 13.12 C ATOM 778 C ASN A 50 -2.460 -12.266 3.427 1.00 43.51 C ATOM 779 O ASN A 50 -2.607 -13.428 3.051 1.00 52.25 O ATOM 780 CB ASN A 50 -2.655 -12.706 5.882 1.00 73.53 C ATOM 781 CG ASN A 50 -3.479 -13.846 5.314 1.00 64.52 C ATOM 782 OD1 ASN A 50 -3.037 -14.995 5.292 1.00 64.30 O ATOM 783 ND2 ASN A 50 -4.683 -13.533 4.850 1.00 1.24 N ATOM 0 H ASN A 50 -0.972 -10.090 5.112 1.00 4.31 H new ATOM 0 HA ASN A 50 -0.835 -12.289 4.816 1.00 13.12 H new ATOM 0 HB2 ASN A 50 -1.959 -13.098 6.624 1.00 73.53 H new ATOM 0 HB3 ASN A 50 -3.313 -12.008 6.400 1.00 73.53 H new ATOM 0 HD21 ASN A 50 -5.282 -14.258 4.455 1.00 1.24 H new ATOM 0 HD22 ASN A 50 -5.009 -12.567 4.888 1.00 1.24 H new ATOM 790 N ALA A 51 -2.792 -11.216 2.682 1.00 24.11 N ATOM 791 CA ALA A 51 -3.359 -11.374 1.349 1.00 72.51 C ATOM 792 C ALA A 51 -2.290 -11.784 0.342 1.00 23.51 C ATOM 793 O ALA A 51 -1.151 -11.321 0.407 1.00 11.13 O ATOM 794 CB ALA A 51 -4.036 -10.086 0.907 1.00 53.50 C ATOM 0 H ALA A 51 -2.678 -10.247 2.980 1.00 24.11 H new ATOM 0 HA ALA A 51 -4.105 -12.168 1.391 1.00 72.51 H new ATOM 0 HB1 ALA A 51 -4.455 -10.219 -0.090 1.00 53.50 H new ATOM 0 HB2 ALA A 51 -4.835 -9.836 1.606 1.00 53.50 H new ATOM 0 HB3 ALA A 51 -3.304 -9.278 0.889 1.00 53.50 H new ATOM 800 N VAL A 52 -2.663 -12.657 -0.588 1.00 70.25 N ATOM 801 CA VAL A 52 -1.736 -13.130 -1.610 1.00 4.45 C ATOM 802 C VAL A 52 -1.659 -12.152 -2.777 1.00 74.32 C ATOM 803 O VAL A 52 -2.569 -11.350 -2.989 1.00 3.35 O ATOM 804 CB VAL A 52 -2.144 -14.516 -2.141 1.00 34.32 C ATOM 805 CG1 VAL A 52 -1.021 -15.124 -2.967 1.00 55.15 C ATOM 806 CG2 VAL A 52 -2.528 -15.435 -0.991 1.00 32.03 C ATOM 0 H VAL A 52 -3.601 -13.052 -0.655 1.00 70.25 H new ATOM 0 HA VAL A 52 -0.756 -13.205 -1.138 1.00 4.45 H new ATOM 0 HB VAL A 52 -3.014 -14.396 -2.787 1.00 34.32 H new ATOM 0 HG11 VAL A 52 -1.328 -16.103 -3.334 1.00 55.15 H new ATOM 0 HG12 VAL A 52 -0.798 -14.473 -3.813 1.00 55.15 H new ATOM 0 HG13 VAL A 52 -0.131 -15.231 -2.347 1.00 55.15 H new ATOM 0 HG21 VAL A 52 -2.814 -16.410 -1.385 1.00 32.03 H new ATOM 0 HG22 VAL A 52 -1.678 -15.550 -0.318 1.00 32.03 H new ATOM 0 HG23 VAL A 52 -3.367 -15.004 -0.445 1.00 32.03 H new ATOM 816 N ASP A 53 -0.569 -12.226 -3.533 1.00 34.11 N ATOM 817 CA ASP A 53 -0.374 -11.349 -4.681 1.00 55.23 C ATOM 818 C ASP A 53 -1.074 -11.907 -5.917 1.00 33.04 C ATOM 819 O ASP A 53 -0.527 -12.754 -6.624 1.00 34.05 O ATOM 820 CB ASP A 53 1.118 -11.167 -4.964 1.00 13.02 C ATOM 821 CG ASP A 53 1.974 -11.421 -3.739 1.00 11.34 C ATOM 822 OD1 ASP A 53 1.604 -10.942 -2.646 1.00 53.31 O ATOM 823 OD2 ASP A 53 3.014 -12.099 -3.872 1.00 53.21 O ATOM 0 H ASP A 53 0.193 -12.885 -3.371 1.00 34.11 H new ATOM 0 HA ASP A 53 -0.812 -10.379 -4.444 1.00 55.23 H new ATOM 0 HB2 ASP A 53 1.419 -11.846 -5.761 1.00 13.02 H new ATOM 0 HB3 ASP A 53 1.296 -10.154 -5.324 1.00 13.02 H new ATOM 828 N CYS A 54 -2.287 -11.428 -6.170 1.00 54.22 N ATOM 829 CA CYS A 54 -3.064 -11.879 -7.319 1.00 22.23 C ATOM 830 C CYS A 54 -4.177 -10.888 -7.646 1.00 43.05 C ATOM 831 O CYS A 54 -5.033 -10.601 -6.810 1.00 31.32 O ATOM 832 CB CYS A 54 -3.661 -13.261 -7.046 1.00 22.23 C ATOM 833 SG CYS A 54 -2.629 -14.645 -7.628 1.00 71.01 S ATOM 0 H CYS A 54 -2.754 -10.727 -5.595 1.00 54.22 H new ATOM 0 HA CYS A 54 -2.394 -11.942 -8.177 1.00 22.23 H new ATOM 0 HB2 CYS A 54 -3.824 -13.369 -5.974 1.00 22.23 H new ATOM 0 HB3 CYS A 54 -4.638 -13.324 -7.525 1.00 22.23 H new ATOM 838 N ASP A 55 -4.157 -10.369 -8.869 1.00 13.51 N ATOM 839 CA ASP A 55 -5.165 -9.410 -9.309 1.00 21.43 C ATOM 840 C ASP A 55 -4.807 -8.834 -10.675 1.00 72.21 C ATOM 841 O ASP A 55 -4.038 -9.431 -11.429 1.00 64.23 O ATOM 842 CB ASP A 55 -5.306 -8.282 -8.287 1.00 15.55 C ATOM 843 CG ASP A 55 -6.582 -8.392 -7.475 1.00 21.35 C ATOM 844 OD1 ASP A 55 -6.936 -7.411 -6.788 1.00 40.52 O ATOM 845 OD2 ASP A 55 -7.227 -9.460 -7.526 1.00 24.31 O ATOM 0 H ASP A 55 -3.455 -10.596 -9.573 1.00 13.51 H new ATOM 0 HA ASP A 55 -6.117 -9.934 -9.394 1.00 21.43 H new ATOM 0 HB2 ASP A 55 -4.448 -8.296 -7.614 1.00 15.55 H new ATOM 0 HB3 ASP A 55 -5.290 -7.323 -8.804 1.00 15.55 H new TER 850 ASP A 55