USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 631 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -111:sc= 0.38 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -54:sc= 1.09 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -128:sc= 0.591 USER MOD Single : A 24 ASN : amide:sc= -3.34! C(o=-3.3!,f=-4.6!) USER MOD Single : A 26 ASN : amide:sc= -0.394 K(o=-0.39,f=-4.5!) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00828 F(o=-1.4!,f=-0.0083) USER MOD Single : A 38 MET CE :methyl -120:sc= -1.33 (180deg=-3.06!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.4) USER MOD Single : A 47 ASN : amide:sc= 0.495 X(o=0.49,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.283 K(o=0.28,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= -0.0523 (180deg=-0.197) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.674 15.174 5.872 1.00 25.24 N ATOM 2 CA MET A 1 -5.873 14.335 4.944 1.00 53.02 C ATOM 3 C MET A 1 -6.757 13.723 3.852 1.00 23.11 C ATOM 4 O MET A 1 -7.771 13.087 4.147 1.00 3.24 O ATOM 5 CB MET A 1 -5.165 13.210 5.716 1.00 75.15 C ATOM 6 CG MET A 1 -4.243 12.357 4.851 1.00 11.20 C ATOM 7 SD MET A 1 -3.565 10.945 5.738 1.00 25.01 S ATOM 8 CE MET A 1 -2.443 10.274 4.512 1.00 51.44 C ATOM 0 H1 MET A 1 -6.051 15.576 6.601 1.00 25.24 H new ATOM 0 H2 MET A 1 -7.127 15.944 5.340 1.00 25.24 H new ATOM 0 H3 MET A 1 -7.405 14.589 6.325 1.00 25.24 H new ATOM 0 HA MET A 1 -5.129 14.978 4.474 1.00 53.02 H new ATOM 0 HB2 MET A 1 -4.584 13.648 6.527 1.00 75.15 H new ATOM 0 HB3 MET A 1 -5.917 12.567 6.174 1.00 75.15 H new ATOM 0 HG2 MET A 1 -4.794 12.003 3.980 1.00 11.20 H new ATOM 0 HG3 MET A 1 -3.425 12.975 4.481 1.00 11.20 H new ATOM 0 HE1 MET A 1 -1.947 9.392 4.917 1.00 51.44 H new ATOM 0 HE2 MET A 1 -3.003 9.997 3.619 1.00 51.44 H new ATOM 0 HE3 MET A 1 -1.695 11.024 4.254 1.00 51.44 H new ATOM 20 N ASP A 2 -6.369 13.908 2.594 1.00 64.24 N ATOM 21 CA ASP A 2 -7.095 13.314 1.468 1.00 2.24 C ATOM 22 C ASP A 2 -6.121 12.711 0.442 1.00 75.02 C ATOM 23 O ASP A 2 -5.160 13.361 0.021 1.00 12.22 O ATOM 24 CB ASP A 2 -7.998 14.364 0.807 1.00 30.12 C ATOM 25 CG ASP A 2 -8.929 13.755 -0.227 1.00 22.52 C ATOM 26 OD1 ASP A 2 -9.631 12.775 0.110 1.00 11.42 O ATOM 27 OD2 ASP A 2 -8.983 14.257 -1.368 1.00 55.24 O ATOM 0 H ASP A 2 -5.557 14.464 2.325 1.00 64.24 H new ATOM 0 HA ASP A 2 -7.720 12.507 1.849 1.00 2.24 H new ATOM 0 HB2 ASP A 2 -8.589 14.866 1.573 1.00 30.12 H new ATOM 0 HB3 ASP A 2 -7.379 15.125 0.332 1.00 30.12 H new ATOM 32 N VAL A 3 -6.363 11.461 0.056 1.00 71.21 N ATOM 33 CA VAL A 3 -5.484 10.749 -0.876 1.00 21.42 C ATOM 34 C VAL A 3 -6.055 10.757 -2.303 1.00 34.31 C ATOM 35 O VAL A 3 -7.177 10.307 -2.539 1.00 41.31 O ATOM 36 CB VAL A 3 -5.259 9.283 -0.424 1.00 43.13 C ATOM 37 CG1 VAL A 3 -4.316 8.550 -1.384 1.00 64.31 C ATOM 38 CG2 VAL A 3 -4.726 9.239 1.012 1.00 51.31 C ATOM 0 H VAL A 3 -7.164 10.915 0.374 1.00 71.21 H new ATOM 0 HA VAL A 3 -4.529 11.274 -0.875 1.00 21.42 H new ATOM 0 HB VAL A 3 -6.220 8.768 -0.446 1.00 43.13 H new ATOM 0 HG11 VAL A 3 -4.175 7.524 -1.043 1.00 64.31 H new ATOM 0 HG12 VAL A 3 -4.748 8.544 -2.385 1.00 64.31 H new ATOM 0 HG13 VAL A 3 -3.353 9.060 -1.408 1.00 64.31 H new ATOM 0 HG21 VAL A 3 -4.574 8.202 1.312 1.00 51.31 H new ATOM 0 HG22 VAL A 3 -3.778 9.775 1.065 1.00 51.31 H new ATOM 0 HG23 VAL A 3 -5.446 9.709 1.682 1.00 51.31 H new ATOM 48 N GLU A 4 -5.274 11.275 -3.247 1.00 54.04 N ATOM 49 CA GLU A 4 -5.668 11.301 -4.659 1.00 65.04 C ATOM 50 C GLU A 4 -4.843 10.300 -5.486 1.00 75.03 C ATOM 51 O GLU A 4 -3.666 10.061 -5.195 1.00 13.12 O ATOM 52 CB GLU A 4 -5.494 12.715 -5.231 1.00 14.34 C ATOM 53 CG GLU A 4 -6.461 13.747 -4.658 1.00 73.25 C ATOM 54 CD GLU A 4 -6.283 15.123 -5.283 1.00 31.42 C ATOM 55 OE1 GLU A 4 -6.451 15.246 -6.517 1.00 42.02 O ATOM 56 OE2 GLU A 4 -5.972 16.087 -4.550 1.00 1.44 O ATOM 0 H GLU A 4 -4.359 11.685 -3.061 1.00 54.04 H new ATOM 0 HA GLU A 4 -6.717 11.012 -4.719 1.00 65.04 H new ATOM 0 HB2 GLU A 4 -4.473 13.047 -5.043 1.00 14.34 H new ATOM 0 HB3 GLU A 4 -5.622 12.675 -6.313 1.00 14.34 H new ATOM 0 HG2 GLU A 4 -7.485 13.409 -4.818 1.00 73.25 H new ATOM 0 HG3 GLU A 4 -6.314 13.819 -3.580 1.00 73.25 H new ATOM 63 N PRO A 5 -5.448 9.707 -6.536 1.00 0.13 N ATOM 64 CA PRO A 5 -4.755 8.742 -7.407 1.00 24.14 C ATOM 65 C PRO A 5 -3.539 9.362 -8.124 1.00 54.10 C ATOM 66 O PRO A 5 -3.689 10.110 -9.095 1.00 14.32 O ATOM 67 CB PRO A 5 -5.837 8.323 -8.419 1.00 0.04 C ATOM 68 CG PRO A 5 -6.857 9.413 -8.374 1.00 75.54 C ATOM 69 CD PRO A 5 -6.846 9.925 -6.960 1.00 20.42 C ATOM 0 HA PRO A 5 -4.345 7.905 -6.841 1.00 24.14 H new ATOM 0 HB2 PRO A 5 -5.419 8.215 -9.420 1.00 0.04 H new ATOM 0 HB3 PRO A 5 -6.276 7.362 -8.151 1.00 0.04 H new ATOM 0 HG2 PRO A 5 -6.612 10.207 -9.079 1.00 75.54 H new ATOM 0 HG3 PRO A 5 -7.843 9.037 -8.646 1.00 75.54 H new ATOM 0 HD2 PRO A 5 -7.123 10.978 -6.910 1.00 20.42 H new ATOM 0 HD3 PRO A 5 -7.548 9.381 -6.329 1.00 20.42 H new ATOM 77 N GLY A 6 -2.340 9.058 -7.624 1.00 61.44 N ATOM 78 CA GLY A 6 -1.108 9.603 -8.193 1.00 34.13 C ATOM 79 C GLY A 6 -0.196 10.247 -7.149 1.00 33.04 C ATOM 80 O GLY A 6 0.980 10.491 -7.416 1.00 51.54 O ATOM 0 H GLY A 6 -2.197 8.438 -6.827 1.00 61.44 H new ATOM 0 HA2 GLY A 6 -0.564 8.805 -8.698 1.00 34.13 H new ATOM 0 HA3 GLY A 6 -1.362 10.344 -8.951 1.00 34.13 H new ATOM 84 N LYS A 7 -0.733 10.516 -5.958 1.00 13.14 N ATOM 85 CA LYS A 7 0.033 11.191 -4.897 1.00 50.12 C ATOM 86 C LYS A 7 1.027 10.245 -4.189 1.00 13.21 C ATOM 87 O LYS A 7 0.776 9.047 -4.044 1.00 1.11 O ATOM 88 CB LYS A 7 -0.919 11.806 -3.862 1.00 60.45 C ATOM 89 CG LYS A 7 -1.928 12.814 -4.424 1.00 13.10 C ATOM 90 CD LYS A 7 -1.275 14.098 -4.955 1.00 72.51 C ATOM 91 CE LYS A 7 -0.817 13.972 -6.408 1.00 0.51 C ATOM 92 NZ LYS A 7 -0.263 15.247 -6.930 1.00 32.14 N ATOM 0 H LYS A 7 -1.691 10.280 -5.700 1.00 13.14 H new ATOM 0 HA LYS A 7 0.615 11.976 -5.380 1.00 50.12 H new ATOM 0 HB2 LYS A 7 -1.467 11.001 -3.372 1.00 60.45 H new ATOM 0 HB3 LYS A 7 -0.325 12.300 -3.093 1.00 60.45 H new ATOM 0 HG2 LYS A 7 -2.492 12.342 -5.229 1.00 13.10 H new ATOM 0 HG3 LYS A 7 -2.643 13.075 -3.644 1.00 13.10 H new ATOM 0 HD2 LYS A 7 -1.984 14.922 -4.872 1.00 72.51 H new ATOM 0 HD3 LYS A 7 -0.419 14.350 -4.329 1.00 72.51 H new ATOM 0 HE2 LYS A 7 -0.061 13.191 -6.483 1.00 0.51 H new ATOM 0 HE3 LYS A 7 -1.658 13.662 -7.028 1.00 0.51 H new ATOM 0 HZ1 LYS A 7 0.035 15.117 -7.918 1.00 32.14 H new ATOM 0 HZ2 LYS A 7 -0.992 15.987 -6.883 1.00 32.14 H new ATOM 0 HZ3 LYS A 7 0.556 15.531 -6.355 1.00 32.14 H new ATOM 106 N PHE A 8 2.150 10.811 -3.744 1.00 41.01 N ATOM 107 CA PHE A 8 3.199 10.059 -3.035 1.00 33.34 C ATOM 108 C PHE A 8 3.010 10.154 -1.506 1.00 4.11 C ATOM 109 O PHE A 8 2.965 11.254 -0.951 1.00 33.51 O ATOM 110 CB PHE A 8 4.590 10.619 -3.397 1.00 15.14 C ATOM 111 CG PHE A 8 5.001 10.490 -4.853 1.00 2.13 C ATOM 112 CD1 PHE A 8 4.064 10.523 -5.881 1.00 63.12 C ATOM 113 CD2 PHE A 8 6.343 10.359 -5.190 1.00 55.55 C ATOM 114 CE1 PHE A 8 4.458 10.427 -7.203 1.00 62.51 C ATOM 115 CE2 PHE A 8 6.738 10.260 -6.511 1.00 44.20 C ATOM 116 CZ PHE A 8 5.795 10.294 -7.518 1.00 32.23 C ATOM 0 H PHE A 8 2.362 11.802 -3.862 1.00 41.01 H new ATOM 0 HA PHE A 8 3.124 9.016 -3.341 1.00 33.34 H new ATOM 0 HB2 PHE A 8 4.617 11.674 -3.125 1.00 15.14 H new ATOM 0 HB3 PHE A 8 5.335 10.112 -2.784 1.00 15.14 H new ATOM 0 HD1 PHE A 8 3.015 10.625 -5.643 1.00 63.12 H new ATOM 0 HD2 PHE A 8 7.088 10.334 -4.408 1.00 55.55 H new ATOM 0 HE1 PHE A 8 3.719 10.456 -7.990 1.00 62.51 H new ATOM 0 HE2 PHE A 8 7.785 10.156 -6.755 1.00 44.20 H new ATOM 0 HZ PHE A 8 6.103 10.217 -8.550 1.00 32.23 H new ATOM 126 N TYR A 9 2.921 9.009 -0.826 1.00 42.33 N ATOM 127 CA TYR A 9 2.759 8.980 0.639 1.00 53.10 C ATOM 128 C TYR A 9 3.624 7.888 1.291 1.00 51.23 C ATOM 129 O TYR A 9 4.069 6.952 0.630 1.00 52.32 O ATOM 130 CB TYR A 9 1.291 8.734 1.021 1.00 33.22 C ATOM 131 CG TYR A 9 0.341 9.870 0.682 1.00 12.40 C ATOM 132 CD1 TYR A 9 0.374 11.066 1.394 1.00 50.45 C ATOM 133 CD2 TYR A 9 -0.598 9.742 -0.338 1.00 5.14 C ATOM 134 CE1 TYR A 9 -0.497 12.098 1.097 1.00 25.15 C ATOM 135 CE2 TYR A 9 -1.472 10.768 -0.636 1.00 31.44 C ATOM 136 CZ TYR A 9 -1.419 11.944 0.082 1.00 53.01 C ATOM 137 OH TYR A 9 -2.291 12.969 -0.214 1.00 23.24 O ATOM 0 H TYR A 9 2.958 8.087 -1.261 1.00 42.33 H new ATOM 0 HA TYR A 9 3.083 9.954 1.007 1.00 53.10 H new ATOM 0 HB2 TYR A 9 0.947 7.830 0.518 1.00 33.22 H new ATOM 0 HB3 TYR A 9 1.237 8.543 2.093 1.00 33.22 H new ATOM 0 HD1 TYR A 9 1.092 11.190 2.191 1.00 50.45 H new ATOM 0 HD2 TYR A 9 -0.643 8.824 -0.906 1.00 5.14 H new ATOM 0 HE1 TYR A 9 -0.456 13.021 1.657 1.00 25.15 H new ATOM 0 HE2 TYR A 9 -2.195 10.650 -1.429 1.00 31.44 H new ATOM 0 HH TYR A 9 -3.202 12.706 0.035 1.00 23.24 H new ATOM 147 N LYS A 10 3.858 8.021 2.595 1.00 1.12 N ATOM 148 CA LYS A 10 4.508 6.963 3.379 1.00 2.44 C ATOM 149 C LYS A 10 3.467 6.189 4.201 1.00 2.24 C ATOM 150 O LYS A 10 2.710 6.778 4.977 1.00 51.02 O ATOM 151 CB LYS A 10 5.583 7.545 4.315 1.00 14.32 C ATOM 152 CG LYS A 10 6.222 6.496 5.229 1.00 34.31 C ATOM 153 CD LYS A 10 7.254 7.096 6.185 1.00 2.43 C ATOM 154 CE LYS A 10 8.485 7.620 5.452 1.00 21.20 C ATOM 155 NZ LYS A 10 9.558 8.033 6.395 1.00 10.33 N ATOM 0 H LYS A 10 3.609 8.850 3.135 1.00 1.12 H new ATOM 0 HA LYS A 10 4.992 6.281 2.680 1.00 2.44 H new ATOM 0 HB2 LYS A 10 6.361 8.016 3.715 1.00 14.32 H new ATOM 0 HB3 LYS A 10 5.136 8.327 4.928 1.00 14.32 H new ATOM 0 HG2 LYS A 10 5.442 6.000 5.807 1.00 34.31 H new ATOM 0 HG3 LYS A 10 6.701 5.731 4.618 1.00 34.31 H new ATOM 0 HD2 LYS A 10 6.795 7.909 6.748 1.00 2.43 H new ATOM 0 HD3 LYS A 10 7.559 6.340 6.908 1.00 2.43 H new ATOM 0 HE2 LYS A 10 8.866 6.847 4.784 1.00 21.20 H new ATOM 0 HE3 LYS A 10 8.203 8.469 4.829 1.00 21.20 H new ATOM 0 HZ1 LYS A 10 10.377 8.383 5.858 1.00 10.33 H new ATOM 0 HZ2 LYS A 10 9.203 8.788 7.016 1.00 10.33 H new ATOM 0 HZ3 LYS A 10 9.846 7.217 6.972 1.00 10.33 H new ATOM 169 N GLY A 11 3.427 4.872 4.025 1.00 50.43 N ATOM 170 CA GLY A 11 2.477 4.042 4.756 1.00 30.43 C ATOM 171 C GLY A 11 3.144 2.906 5.518 1.00 55.04 C ATOM 172 O GLY A 11 4.304 2.578 5.270 1.00 14.44 O ATOM 0 H GLY A 11 4.037 4.360 3.387 1.00 50.43 H new ATOM 0 HA2 GLY A 11 1.922 4.666 5.457 1.00 30.43 H new ATOM 0 HA3 GLY A 11 1.752 3.626 4.056 1.00 30.43 H new ATOM 176 N VAL A 12 2.407 2.300 6.446 1.00 21.00 N ATOM 177 CA VAL A 12 2.938 1.200 7.255 1.00 43.43 C ATOM 178 C VAL A 12 2.203 -0.124 6.967 1.00 42.05 C ATOM 179 O VAL A 12 0.973 -0.162 6.856 1.00 21.11 O ATOM 180 CB VAL A 12 2.860 1.529 8.769 1.00 72.03 C ATOM 181 CG1 VAL A 12 1.411 1.685 9.232 1.00 51.11 C ATOM 182 CG2 VAL A 12 3.596 0.469 9.586 1.00 5.53 C ATOM 0 H VAL A 12 1.441 2.550 6.658 1.00 21.00 H new ATOM 0 HA VAL A 12 3.985 1.078 6.976 1.00 43.43 H new ATOM 0 HB VAL A 12 3.355 2.486 8.934 1.00 72.03 H new ATOM 0 HG11 VAL A 12 1.392 1.915 10.297 1.00 51.11 H new ATOM 0 HG12 VAL A 12 0.937 2.495 8.677 1.00 51.11 H new ATOM 0 HG13 VAL A 12 0.869 0.756 9.052 1.00 51.11 H new ATOM 0 HG21 VAL A 12 3.531 0.716 10.646 1.00 5.53 H new ATOM 0 HG22 VAL A 12 3.140 -0.506 9.412 1.00 5.53 H new ATOM 0 HG23 VAL A 12 4.643 0.439 9.284 1.00 5.53 H new ATOM 192 N VAL A 13 2.971 -1.206 6.827 1.00 64.21 N ATOM 193 CA VAL A 13 2.405 -2.538 6.579 1.00 54.14 C ATOM 194 C VAL A 13 1.643 -3.061 7.809 1.00 44.22 C ATOM 195 O VAL A 13 2.233 -3.293 8.867 1.00 71.41 O ATOM 196 CB VAL A 13 3.506 -3.561 6.198 1.00 74.40 C ATOM 197 CG1 VAL A 13 2.903 -4.942 5.934 1.00 23.32 C ATOM 198 CG2 VAL A 13 4.304 -3.073 4.988 1.00 61.44 C ATOM 0 H VAL A 13 3.989 -1.188 6.881 1.00 64.21 H new ATOM 0 HA VAL A 13 1.712 -2.431 5.745 1.00 54.14 H new ATOM 0 HB VAL A 13 4.190 -3.651 7.042 1.00 74.40 H new ATOM 0 HG11 VAL A 13 3.696 -5.641 5.669 1.00 23.32 H new ATOM 0 HG12 VAL A 13 2.394 -5.294 6.831 1.00 23.32 H new ATOM 0 HG13 VAL A 13 2.188 -4.876 5.114 1.00 23.32 H new ATOM 0 HG21 VAL A 13 5.071 -3.806 4.738 1.00 61.44 H new ATOM 0 HG22 VAL A 13 3.634 -2.945 4.138 1.00 61.44 H new ATOM 0 HG23 VAL A 13 4.777 -2.120 5.224 1.00 61.44 H new ATOM 208 N THR A 14 0.334 -3.249 7.657 1.00 73.52 N ATOM 209 CA THR A 14 -0.520 -3.724 8.756 1.00 14.41 C ATOM 210 C THR A 14 -0.562 -5.255 8.828 1.00 43.55 C ATOM 211 O THR A 14 -0.460 -5.836 9.909 1.00 40.05 O ATOM 212 CB THR A 14 -1.966 -3.194 8.620 1.00 53.30 C ATOM 213 OG1 THR A 14 -2.565 -3.682 7.406 1.00 40.01 O ATOM 214 CG2 THR A 14 -1.989 -1.667 8.628 1.00 41.43 C ATOM 0 H THR A 14 -0.164 -3.081 6.783 1.00 73.52 H new ATOM 0 HA THR A 14 -0.076 -3.337 9.673 1.00 14.41 H new ATOM 0 HB THR A 14 -2.539 -3.556 9.474 1.00 53.30 H new ATOM 0 HG1 THR A 14 -1.988 -3.462 6.645 1.00 40.01 H new ATOM 0 HG21 THR A 14 -3.017 -1.318 8.531 1.00 41.43 H new ATOM 0 HG22 THR A 14 -1.569 -1.302 9.565 1.00 41.43 H new ATOM 0 HG23 THR A 14 -1.398 -1.290 7.794 1.00 41.43 H new ATOM 222 N ARG A 15 -0.721 -5.905 7.678 1.00 61.21 N ATOM 223 CA ARG A 15 -0.769 -7.370 7.622 1.00 25.42 C ATOM 224 C ARG A 15 -0.328 -7.907 6.251 1.00 42.10 C ATOM 225 O ARG A 15 -0.542 -7.268 5.216 1.00 72.34 O ATOM 226 CB ARG A 15 -2.182 -7.874 7.958 1.00 31.12 C ATOM 227 CG ARG A 15 -3.291 -7.242 7.119 1.00 72.24 C ATOM 228 CD ARG A 15 -4.658 -7.805 7.485 1.00 2.01 C ATOM 229 NE ARG A 15 -5.748 -7.137 6.772 1.00 24.04 N ATOM 230 CZ ARG A 15 -6.955 -7.627 6.654 1.00 50.32 C ATOM 231 NH1 ARG A 15 -7.252 -8.770 7.191 1.00 4.11 N ATOM 232 NH2 ARG A 15 -7.870 -6.966 6.019 1.00 34.00 N ATOM 0 H ARG A 15 -0.819 -5.445 6.773 1.00 61.21 H new ATOM 0 HA ARG A 15 -0.067 -7.747 8.366 1.00 25.42 H new ATOM 0 HB2 ARG A 15 -2.211 -8.955 7.822 1.00 31.12 H new ATOM 0 HB3 ARG A 15 -2.384 -7.679 9.011 1.00 31.12 H new ATOM 0 HG2 ARG A 15 -3.290 -6.162 7.267 1.00 72.24 H new ATOM 0 HG3 ARG A 15 -3.095 -7.419 6.062 1.00 72.24 H new ATOM 0 HD2 ARG A 15 -4.680 -8.871 7.260 1.00 2.01 H new ATOM 0 HD3 ARG A 15 -4.814 -7.703 8.559 1.00 2.01 H new ATOM 0 HE ARG A 15 -5.554 -6.233 6.340 1.00 24.04 H new ATOM 0 HH11 ARG A 15 -6.543 -9.290 7.708 1.00 4.11 H new ATOM 0 HH12 ARG A 15 -8.195 -9.148 7.097 1.00 4.11 H new ATOM 0 HH21 ARG A 15 -7.651 -6.059 5.608 1.00 34.00 H new ATOM 0 HH22 ARG A 15 -8.810 -7.353 5.930 1.00 34.00 H new ATOM 246 N ILE A 16 0.293 -9.086 6.262 1.00 63.34 N ATOM 247 CA ILE A 16 0.772 -9.741 5.038 1.00 14.34 C ATOM 248 C ILE A 16 -0.248 -10.779 4.532 1.00 44.20 C ATOM 249 O ILE A 16 -0.754 -11.593 5.304 1.00 51.03 O ATOM 250 CB ILE A 16 2.133 -10.451 5.284 1.00 71.01 C ATOM 251 CG1 ILE A 16 3.181 -9.457 5.823 1.00 22.32 C ATOM 252 CG2 ILE A 16 2.639 -11.123 4.004 1.00 71.21 C ATOM 253 CD1 ILE A 16 3.521 -8.338 4.861 1.00 4.25 C ATOM 0 H ILE A 16 0.479 -9.615 7.114 1.00 63.34 H new ATOM 0 HA ILE A 16 0.900 -8.964 4.285 1.00 14.34 H new ATOM 0 HB ILE A 16 1.976 -11.224 6.036 1.00 71.01 H new ATOM 0 HG12 ILE A 16 2.811 -9.024 6.752 1.00 22.32 H new ATOM 0 HG13 ILE A 16 4.093 -10.003 6.066 1.00 22.32 H new ATOM 0 HG21 ILE A 16 3.592 -11.613 4.203 1.00 71.21 H new ATOM 0 HG22 ILE A 16 1.913 -11.864 3.671 1.00 71.21 H new ATOM 0 HG23 ILE A 16 2.772 -10.371 3.226 1.00 71.21 H new ATOM 0 HD11 ILE A 16 4.265 -7.682 5.314 1.00 4.25 H new ATOM 0 HD12 ILE A 16 3.922 -8.760 3.940 1.00 4.25 H new ATOM 0 HD13 ILE A 16 2.621 -7.765 4.636 1.00 4.25 H new ATOM 265 N GLU A 17 -0.537 -10.748 3.235 1.00 52.33 N ATOM 266 CA GLU A 17 -1.487 -11.686 2.620 1.00 34.03 C ATOM 267 C GLU A 17 -0.832 -12.462 1.462 1.00 12.13 C ATOM 268 O GLU A 17 0.260 -12.118 1.006 1.00 10.53 O ATOM 269 CB GLU A 17 -2.718 -10.924 2.105 1.00 42.12 C ATOM 270 CG GLU A 17 -3.587 -10.314 3.205 1.00 14.52 C ATOM 271 CD GLU A 17 -4.361 -11.360 3.992 1.00 2.31 C ATOM 272 OE1 GLU A 17 -5.294 -11.963 3.417 1.00 21.11 O ATOM 273 OE2 GLU A 17 -4.043 -11.590 5.177 1.00 41.11 O ATOM 0 H GLU A 17 -0.127 -10.081 2.581 1.00 52.33 H new ATOM 0 HA GLU A 17 -1.795 -12.403 3.381 1.00 34.03 H new ATOM 0 HB2 GLU A 17 -2.385 -10.129 1.438 1.00 42.12 H new ATOM 0 HB3 GLU A 17 -3.329 -11.604 1.511 1.00 42.12 H new ATOM 0 HG2 GLU A 17 -2.955 -9.746 3.888 1.00 14.52 H new ATOM 0 HG3 GLU A 17 -4.288 -9.609 2.759 1.00 14.52 H new ATOM 280 N LYS A 18 -1.516 -13.496 0.973 1.00 10.22 N ATOM 281 CA LYS A 18 -0.997 -14.328 -0.125 1.00 51.21 C ATOM 282 C LYS A 18 -1.231 -13.679 -1.503 1.00 42.15 C ATOM 283 O LYS A 18 -0.979 -14.288 -2.542 1.00 11.34 O ATOM 284 CB LYS A 18 -1.656 -15.712 -0.080 1.00 22.54 C ATOM 285 CG LYS A 18 -1.440 -16.455 1.236 1.00 55.01 C ATOM 286 CD LYS A 18 -2.101 -17.831 1.221 1.00 54.43 C ATOM 287 CE LYS A 18 -1.897 -18.575 2.537 1.00 12.53 C ATOM 288 NZ LYS A 18 -2.505 -19.933 2.508 1.00 24.23 N ATOM 0 H LYS A 18 -2.433 -13.782 1.317 1.00 10.22 H new ATOM 0 HA LYS A 18 0.080 -14.425 0.012 1.00 51.21 H new ATOM 0 HB2 LYS A 18 -2.727 -15.600 -0.252 1.00 22.54 H new ATOM 0 HB3 LYS A 18 -1.264 -16.318 -0.897 1.00 22.54 H new ATOM 0 HG2 LYS A 18 -0.371 -16.566 1.420 1.00 55.01 H new ATOM 0 HG3 LYS A 18 -1.845 -15.865 2.058 1.00 55.01 H new ATOM 0 HD2 LYS A 18 -3.168 -17.719 1.029 1.00 54.43 H new ATOM 0 HD3 LYS A 18 -1.690 -18.422 0.402 1.00 54.43 H new ATOM 0 HE2 LYS A 18 -0.830 -18.659 2.744 1.00 12.53 H new ATOM 0 HE3 LYS A 18 -2.335 -17.998 3.352 1.00 12.53 H new ATOM 0 HZ1 LYS A 18 -2.344 -20.405 3.421 1.00 24.23 H new ATOM 0 HZ2 LYS A 18 -3.527 -19.852 2.336 1.00 24.23 H new ATOM 0 HZ3 LYS A 18 -2.069 -20.492 1.747 1.00 24.23 H new ATOM 302 N TYR A 19 -1.725 -12.445 -1.503 1.00 0.41 N ATOM 303 CA TYR A 19 -1.968 -11.695 -2.744 1.00 42.34 C ATOM 304 C TYR A 19 -1.441 -10.254 -2.641 1.00 31.44 C ATOM 305 O TYR A 19 -1.672 -9.429 -3.527 1.00 43.40 O ATOM 306 CB TYR A 19 -3.471 -11.695 -3.069 1.00 53.32 C ATOM 307 CG TYR A 19 -4.357 -11.351 -1.883 1.00 61.23 C ATOM 308 CD1 TYR A 19 -4.668 -10.029 -1.571 1.00 54.42 C ATOM 309 CD2 TYR A 19 -4.878 -12.354 -1.071 1.00 0.21 C ATOM 310 CE1 TYR A 19 -5.471 -9.722 -0.486 1.00 51.15 C ATOM 311 CE2 TYR A 19 -5.678 -12.053 0.013 1.00 15.42 C ATOM 312 CZ TYR A 19 -5.972 -10.738 0.301 1.00 31.35 C ATOM 313 OH TYR A 19 -6.761 -10.441 1.389 1.00 34.54 O ATOM 0 H TYR A 19 -1.968 -11.935 -0.654 1.00 0.41 H new ATOM 0 HA TYR A 19 -1.426 -12.188 -3.551 1.00 42.34 H new ATOM 0 HB2 TYR A 19 -3.660 -10.981 -3.870 1.00 53.32 H new ATOM 0 HB3 TYR A 19 -3.751 -12.678 -3.446 1.00 53.32 H new ATOM 0 HD1 TYR A 19 -4.276 -9.232 -2.185 1.00 54.42 H new ATOM 0 HD2 TYR A 19 -4.652 -13.387 -1.293 1.00 0.21 H new ATOM 0 HE1 TYR A 19 -5.704 -8.693 -0.257 1.00 51.15 H new ATOM 0 HE2 TYR A 19 -6.072 -12.845 0.633 1.00 15.42 H new ATOM 0 HH TYR A 19 -6.402 -10.886 2.185 1.00 34.54 H new ATOM 323 N GLY A 20 -0.716 -9.968 -1.561 1.00 1.33 N ATOM 324 CA GLY A 20 -0.197 -8.624 -1.327 1.00 75.40 C ATOM 325 C GLY A 20 -0.118 -8.280 0.155 1.00 23.41 C ATOM 326 O GLY A 20 -0.320 -9.141 1.006 1.00 25.21 O ATOM 0 H GLY A 20 -0.476 -10.646 -0.838 1.00 1.33 H new ATOM 0 HA2 GLY A 20 0.795 -8.539 -1.770 1.00 75.40 H new ATOM 0 HA3 GLY A 20 -0.835 -7.898 -1.832 1.00 75.40 H new ATOM 330 N ALA A 21 0.183 -7.025 0.465 1.00 73.01 N ATOM 331 CA ALA A 21 0.259 -6.560 1.854 1.00 30.11 C ATOM 332 C ALA A 21 -0.616 -5.317 2.074 1.00 44.51 C ATOM 333 O ALA A 21 -0.504 -4.333 1.341 1.00 60.02 O ATOM 334 CB ALA A 21 1.708 -6.260 2.228 1.00 3.25 C ATOM 0 H ALA A 21 0.380 -6.303 -0.228 1.00 73.01 H new ATOM 0 HA ALA A 21 -0.119 -7.354 2.498 1.00 30.11 H new ATOM 0 HB1 ALA A 21 1.753 -5.915 3.261 1.00 3.25 H new ATOM 0 HB2 ALA A 21 2.306 -7.165 2.121 1.00 3.25 H new ATOM 0 HB3 ALA A 21 2.101 -5.485 1.570 1.00 3.25 H new ATOM 340 N PHE A 22 -1.484 -5.363 3.080 1.00 74.35 N ATOM 341 CA PHE A 22 -2.354 -4.223 3.392 1.00 34.43 C ATOM 342 C PHE A 22 -1.576 -3.126 4.127 1.00 71.11 C ATOM 343 O PHE A 22 -1.000 -3.359 5.193 1.00 71.22 O ATOM 344 CB PHE A 22 -3.561 -4.666 4.229 1.00 64.11 C ATOM 345 CG PHE A 22 -4.613 -5.394 3.433 1.00 63.32 C ATOM 346 CD1 PHE A 22 -5.602 -4.685 2.770 1.00 63.44 C ATOM 347 CD2 PHE A 22 -4.616 -6.778 3.347 1.00 61.35 C ATOM 348 CE1 PHE A 22 -6.573 -5.340 2.038 1.00 21.15 C ATOM 349 CE2 PHE A 22 -5.585 -7.437 2.617 1.00 24.22 C ATOM 350 CZ PHE A 22 -6.563 -6.718 1.961 1.00 24.01 C ATOM 0 H PHE A 22 -1.607 -6.170 3.692 1.00 74.35 H new ATOM 0 HA PHE A 22 -2.718 -3.817 2.448 1.00 34.43 H new ATOM 0 HB2 PHE A 22 -3.215 -5.313 5.036 1.00 64.11 H new ATOM 0 HB3 PHE A 22 -4.011 -3.789 4.694 1.00 64.11 H new ATOM 0 HD1 PHE A 22 -5.614 -3.607 2.826 1.00 63.44 H new ATOM 0 HD2 PHE A 22 -3.852 -7.347 3.857 1.00 61.35 H new ATOM 0 HE1 PHE A 22 -7.339 -4.775 1.527 1.00 21.15 H new ATOM 0 HE2 PHE A 22 -5.577 -8.515 2.559 1.00 24.22 H new ATOM 0 HZ PHE A 22 -7.320 -7.233 1.388 1.00 24.01 H new ATOM 360 N ILE A 23 -1.575 -1.929 3.555 1.00 73.34 N ATOM 361 CA ILE A 23 -0.818 -0.801 4.098 1.00 4.41 C ATOM 362 C ILE A 23 -1.734 0.397 4.389 1.00 64.25 C ATOM 363 O ILE A 23 -2.539 0.792 3.547 1.00 50.23 O ATOM 364 CB ILE A 23 0.302 -0.362 3.113 1.00 2.31 C ATOM 365 CG1 ILE A 23 1.326 -1.495 2.924 1.00 61.24 C ATOM 366 CG2 ILE A 23 0.988 0.912 3.601 1.00 12.51 C ATOM 367 CD1 ILE A 23 2.458 -1.148 1.979 1.00 62.40 C ATOM 0 H ILE A 23 -2.095 -1.710 2.705 1.00 73.34 H new ATOM 0 HA ILE A 23 -0.367 -1.135 5.032 1.00 4.41 H new ATOM 0 HB ILE A 23 -0.156 -0.148 2.148 1.00 2.31 H new ATOM 0 HG12 ILE A 23 1.745 -1.759 3.895 1.00 61.24 H new ATOM 0 HG13 ILE A 23 0.810 -2.379 2.548 1.00 61.24 H new ATOM 0 HG21 ILE A 23 1.767 1.199 2.895 1.00 12.51 H new ATOM 0 HG22 ILE A 23 0.254 1.714 3.677 1.00 12.51 H new ATOM 0 HG23 ILE A 23 1.433 0.734 4.580 1.00 12.51 H new ATOM 0 HD11 ILE A 23 3.137 -1.996 1.898 1.00 62.40 H new ATOM 0 HD12 ILE A 23 2.052 -0.913 0.995 1.00 62.40 H new ATOM 0 HD13 ILE A 23 3.001 -0.284 2.363 1.00 62.40 H new ATOM 379 N ASN A 24 -1.614 0.964 5.585 1.00 11.20 N ATOM 380 CA ASN A 24 -2.369 2.171 5.940 1.00 31.53 C ATOM 381 C ASN A 24 -1.448 3.400 5.957 1.00 33.32 C ATOM 382 O ASN A 24 -0.381 3.385 6.576 1.00 43.43 O ATOM 383 CB ASN A 24 -3.061 2.010 7.299 1.00 44.43 C ATOM 384 CG ASN A 24 -4.123 0.922 7.289 1.00 31.43 C ATOM 385 OD1 ASN A 24 -4.683 0.585 6.251 1.00 33.22 O ATOM 386 ND2 ASN A 24 -4.423 0.379 8.449 1.00 14.41 N ATOM 0 H ASN A 24 -1.006 0.613 6.325 1.00 11.20 H new ATOM 0 HA ASN A 24 -3.137 2.319 5.181 1.00 31.53 H new ATOM 0 HB2 ASN A 24 -2.314 1.776 8.058 1.00 44.43 H new ATOM 0 HB3 ASN A 24 -3.519 2.957 7.584 1.00 44.43 H new ATOM 0 HD21 ASN A 24 -5.140 -0.345 8.503 1.00 14.41 H new ATOM 0 HD22 ASN A 24 -3.939 0.681 9.294 1.00 14.41 H new ATOM 393 N LEU A 25 -1.861 4.460 5.265 1.00 4.41 N ATOM 394 CA LEU A 25 -1.080 5.705 5.218 1.00 24.11 C ATOM 395 C LEU A 25 -1.321 6.557 6.469 1.00 74.42 C ATOM 396 O LEU A 25 -0.531 7.443 6.794 1.00 1.34 O ATOM 397 CB LEU A 25 -1.452 6.528 3.977 1.00 41.51 C ATOM 398 CG LEU A 25 -1.354 5.792 2.633 1.00 10.22 C ATOM 399 CD1 LEU A 25 -1.745 6.717 1.482 1.00 54.32 C ATOM 400 CD2 LEU A 25 0.048 5.223 2.419 1.00 11.10 C ATOM 0 H LEU A 25 -2.728 4.487 4.729 1.00 4.41 H new ATOM 0 HA LEU A 25 -0.027 5.427 5.173 1.00 24.11 H new ATOM 0 HB2 LEU A 25 -2.473 6.891 4.097 1.00 41.51 H new ATOM 0 HB3 LEU A 25 -0.805 7.404 3.938 1.00 41.51 H new ATOM 0 HG LEU A 25 -2.054 4.957 2.654 1.00 10.22 H new ATOM 0 HD11 LEU A 25 -1.669 6.176 0.539 1.00 54.32 H new ATOM 0 HD12 LEU A 25 -2.770 7.059 1.622 1.00 54.32 H new ATOM 0 HD13 LEU A 25 -1.075 7.577 1.462 1.00 54.32 H new ATOM 0 HD21 LEU A 25 0.089 4.707 1.460 1.00 11.10 H new ATOM 0 HD22 LEU A 25 0.775 6.035 2.426 1.00 11.10 H new ATOM 0 HD23 LEU A 25 0.282 4.520 3.219 1.00 11.10 H new ATOM 412 N ASN A 26 -2.422 6.281 7.161 1.00 52.45 N ATOM 413 CA ASN A 26 -2.861 7.110 8.286 1.00 3.54 C ATOM 414 C ASN A 26 -4.006 6.427 9.055 1.00 1.51 C ATOM 415 O ASN A 26 -4.659 5.524 8.538 1.00 53.55 O ATOM 416 CB ASN A 26 -3.311 8.482 7.750 1.00 14.43 C ATOM 417 CG ASN A 26 -3.825 9.423 8.824 1.00 43.01 C ATOM 418 OD1 ASN A 26 -3.417 9.365 9.976 1.00 33.24 O ATOM 419 ND2 ASN A 26 -4.731 10.301 8.447 1.00 75.11 N ATOM 0 H ASN A 26 -3.031 5.487 6.964 1.00 52.45 H new ATOM 0 HA ASN A 26 -2.032 7.244 8.980 1.00 3.54 H new ATOM 0 HB2 ASN A 26 -2.472 8.954 7.238 1.00 14.43 H new ATOM 0 HB3 ASN A 26 -4.094 8.332 7.007 1.00 14.43 H new ATOM 0 HD21 ASN A 26 -5.115 10.960 9.124 1.00 75.11 H new ATOM 0 HD22 ASN A 26 -5.049 10.322 7.478 1.00 75.11 H new ATOM 426 N GLU A 27 -4.243 6.887 10.282 1.00 71.11 N ATOM 427 CA GLU A 27 -5.325 6.383 11.141 1.00 41.24 C ATOM 428 C GLU A 27 -6.685 6.292 10.409 1.00 55.15 C ATOM 429 O GLU A 27 -7.528 5.466 10.750 1.00 5.44 O ATOM 430 CB GLU A 27 -5.448 7.312 12.359 1.00 54.34 C ATOM 431 CG GLU A 27 -6.552 6.941 13.345 1.00 64.05 C ATOM 432 CD GLU A 27 -6.687 7.955 14.471 1.00 71.13 C ATOM 433 OE1 GLU A 27 -7.402 8.964 14.287 1.00 34.43 O ATOM 434 OE2 GLU A 27 -6.070 7.758 15.539 1.00 2.15 O ATOM 0 H GLU A 27 -3.688 7.625 10.716 1.00 71.11 H new ATOM 0 HA GLU A 27 -5.070 5.367 11.444 1.00 41.24 H new ATOM 0 HB2 GLU A 27 -4.496 7.319 12.889 1.00 54.34 H new ATOM 0 HB3 GLU A 27 -5.624 8.328 12.006 1.00 54.34 H new ATOM 0 HG2 GLU A 27 -7.500 6.864 12.813 1.00 64.05 H new ATOM 0 HG3 GLU A 27 -6.343 5.958 13.768 1.00 64.05 H new ATOM 441 N GLN A 28 -6.900 7.154 9.414 1.00 61.13 N ATOM 442 CA GLN A 28 -8.175 7.186 8.674 1.00 41.20 C ATOM 443 C GLN A 28 -8.018 6.785 7.191 1.00 2.22 C ATOM 444 O GLN A 28 -8.929 7.001 6.389 1.00 73.22 O ATOM 445 CB GLN A 28 -8.789 8.592 8.768 1.00 33.24 C ATOM 446 CG GLN A 28 -9.107 9.049 10.192 1.00 45.52 C ATOM 447 CD GLN A 28 -10.172 8.199 10.869 1.00 23.24 C ATOM 448 OE1 GLN A 28 -9.757 7.152 11.551 1.00 45.52 O flip ATOM 449 NE2 GLN A 28 -11.363 8.477 10.773 1.00 2.10 N flip ATOM 0 H GLN A 28 -6.214 7.840 9.098 1.00 61.13 H new ATOM 0 HA GLN A 28 -8.834 6.450 9.136 1.00 41.20 H new ATOM 0 HB2 GLN A 28 -8.101 9.306 8.315 1.00 33.24 H new ATOM 0 HB3 GLN A 28 -9.706 8.615 8.179 1.00 33.24 H new ATOM 0 HG2 GLN A 28 -8.195 9.021 10.788 1.00 45.52 H new ATOM 0 HG3 GLN A 28 -9.440 10.087 10.168 1.00 45.52 H new ATOM 0 HE21 GLN A 28 -11.654 9.295 10.238 1.00 2.10 H new ATOM 0 HE22 GLN A 28 -12.062 7.890 11.229 1.00 2.10 H new ATOM 458 N VAL A 29 -6.876 6.188 6.829 1.00 2.43 N ATOM 459 CA VAL A 29 -6.605 5.806 5.424 1.00 22.33 C ATOM 460 C VAL A 29 -6.212 4.318 5.283 1.00 44.31 C ATOM 461 O VAL A 29 -5.223 3.869 5.864 1.00 74.43 O ATOM 462 CB VAL A 29 -5.477 6.678 4.809 1.00 4.45 C ATOM 463 CG1 VAL A 29 -5.206 6.280 3.358 1.00 51.05 C ATOM 464 CG2 VAL A 29 -5.822 8.163 4.909 1.00 0.44 C ATOM 0 H VAL A 29 -6.125 5.957 7.479 1.00 2.43 H new ATOM 0 HA VAL A 29 -7.537 5.973 4.885 1.00 22.33 H new ATOM 0 HB VAL A 29 -4.567 6.502 5.382 1.00 4.45 H new ATOM 0 HG11 VAL A 29 -4.412 6.906 2.951 1.00 51.05 H new ATOM 0 HG12 VAL A 29 -4.900 5.235 3.319 1.00 51.05 H new ATOM 0 HG13 VAL A 29 -6.113 6.415 2.768 1.00 51.05 H new ATOM 0 HG21 VAL A 29 -5.017 8.754 4.472 1.00 0.44 H new ATOM 0 HG22 VAL A 29 -6.749 8.358 4.370 1.00 0.44 H new ATOM 0 HG23 VAL A 29 -5.946 8.438 5.956 1.00 0.44 H new ATOM 474 N ARG A 30 -6.978 3.577 4.475 1.00 41.23 N ATOM 475 CA ARG A 30 -6.742 2.137 4.246 1.00 43.22 C ATOM 476 C ARG A 30 -6.319 1.855 2.789 1.00 24.33 C ATOM 477 O ARG A 30 -6.926 2.368 1.847 1.00 5.13 O ATOM 478 CB ARG A 30 -8.025 1.353 4.579 1.00 10.44 C ATOM 479 CG ARG A 30 -8.010 -0.110 4.132 1.00 41.11 C ATOM 480 CD ARG A 30 -9.337 -0.803 4.430 1.00 3.42 C ATOM 481 NE ARG A 30 -9.439 -2.108 3.780 1.00 42.43 N ATOM 482 CZ ARG A 30 -10.467 -2.904 3.899 1.00 32.24 C ATOM 483 NH1 ARG A 30 -11.465 -2.582 4.657 1.00 74.11 N ATOM 484 NH2 ARG A 30 -10.497 -4.019 3.248 1.00 73.45 N ATOM 0 H ARG A 30 -7.776 3.951 3.961 1.00 41.23 H new ATOM 0 HA ARG A 30 -5.927 1.816 4.895 1.00 43.22 H new ATOM 0 HB2 ARG A 30 -8.188 1.389 5.656 1.00 10.44 H new ATOM 0 HB3 ARG A 30 -8.873 1.854 4.112 1.00 10.44 H new ATOM 0 HG2 ARG A 30 -7.804 -0.162 3.063 1.00 41.11 H new ATOM 0 HG3 ARG A 30 -7.202 -0.637 4.639 1.00 41.11 H new ATOM 0 HD2 ARG A 30 -9.446 -0.927 5.507 1.00 3.42 H new ATOM 0 HD3 ARG A 30 -10.159 -0.169 4.097 1.00 3.42 H new ATOM 0 HE ARG A 30 -8.660 -2.416 3.198 1.00 42.43 H new ATOM 0 HH11 ARG A 30 -11.453 -1.699 5.168 1.00 74.11 H new ATOM 0 HH12 ARG A 30 -12.264 -3.211 4.743 1.00 74.11 H new ATOM 0 HH21 ARG A 30 -9.718 -4.277 2.642 1.00 73.45 H new ATOM 0 HH22 ARG A 30 -11.299 -4.642 3.340 1.00 73.45 H new ATOM 498 N GLY A 31 -5.280 1.032 2.604 1.00 12.45 N ATOM 499 CA GLY A 31 -4.833 0.685 1.253 1.00 53.53 C ATOM 500 C GLY A 31 -4.221 -0.714 1.133 1.00 54.13 C ATOM 501 O GLY A 31 -4.107 -1.449 2.115 1.00 41.23 O ATOM 0 H GLY A 31 -4.743 0.602 3.357 1.00 12.45 H new ATOM 0 HA2 GLY A 31 -5.681 0.758 0.572 1.00 53.53 H new ATOM 0 HA3 GLY A 31 -4.098 1.420 0.926 1.00 53.53 H new ATOM 505 N LEU A 32 -3.818 -1.074 -0.089 1.00 52.33 N ATOM 506 CA LEU A 32 -3.263 -2.405 -0.380 1.00 14.23 C ATOM 507 C LEU A 32 -2.133 -2.329 -1.425 1.00 42.23 C ATOM 508 O LEU A 32 -2.275 -1.688 -2.465 1.00 24.34 O ATOM 509 CB LEU A 32 -4.380 -3.336 -0.887 1.00 54.42 C ATOM 510 CG LEU A 32 -3.935 -4.747 -1.321 1.00 52.02 C ATOM 511 CD1 LEU A 32 -3.309 -5.510 -0.156 1.00 31.20 C ATOM 512 CD2 LEU A 32 -5.114 -5.525 -1.903 1.00 34.23 C ATOM 0 H LEU A 32 -3.865 -0.458 -0.901 1.00 52.33 H new ATOM 0 HA LEU A 32 -2.842 -2.803 0.543 1.00 14.23 H new ATOM 0 HB2 LEU A 32 -5.127 -3.438 -0.100 1.00 54.42 H new ATOM 0 HB3 LEU A 32 -4.872 -2.855 -1.733 1.00 54.42 H new ATOM 0 HG LEU A 32 -3.176 -4.637 -2.096 1.00 52.02 H new ATOM 0 HD11 LEU A 32 -3.005 -6.501 -0.492 1.00 31.20 H new ATOM 0 HD12 LEU A 32 -2.437 -4.967 0.208 1.00 31.20 H new ATOM 0 HD13 LEU A 32 -4.038 -5.607 0.649 1.00 31.20 H new ATOM 0 HD21 LEU A 32 -4.781 -6.518 -2.204 1.00 34.23 H new ATOM 0 HD22 LEU A 32 -5.897 -5.617 -1.150 1.00 34.23 H new ATOM 0 HD23 LEU A 32 -5.506 -4.995 -2.771 1.00 34.23 H new ATOM 524 N LEU A 33 -1.016 -2.992 -1.134 1.00 23.00 N ATOM 525 CA LEU A 33 0.135 -3.055 -2.047 1.00 72.31 C ATOM 526 C LEU A 33 0.307 -4.486 -2.594 1.00 51.42 C ATOM 527 O LEU A 33 0.369 -5.446 -1.827 1.00 55.22 O ATOM 528 CB LEU A 33 1.399 -2.606 -1.295 1.00 4.13 C ATOM 529 CG LEU A 33 2.719 -2.666 -2.084 1.00 65.33 C ATOM 530 CD1 LEU A 33 2.645 -1.819 -3.352 1.00 20.33 C ATOM 531 CD2 LEU A 33 3.883 -2.218 -1.199 1.00 1.35 C ATOM 0 H LEU A 33 -0.878 -3.502 -0.261 1.00 23.00 H new ATOM 0 HA LEU A 33 -0.034 -2.390 -2.894 1.00 72.31 H new ATOM 0 HB2 LEU A 33 1.249 -1.581 -0.956 1.00 4.13 H new ATOM 0 HB3 LEU A 33 1.505 -3.224 -0.404 1.00 4.13 H new ATOM 0 HG LEU A 33 2.888 -3.699 -2.388 1.00 65.33 H new ATOM 0 HD11 LEU A 33 3.592 -1.882 -3.887 1.00 20.33 H new ATOM 0 HD12 LEU A 33 1.842 -2.189 -3.990 1.00 20.33 H new ATOM 0 HD13 LEU A 33 2.447 -0.781 -3.085 1.00 20.33 H new ATOM 0 HD21 LEU A 33 4.812 -2.265 -1.768 1.00 1.35 H new ATOM 0 HD22 LEU A 33 3.713 -1.194 -0.865 1.00 1.35 H new ATOM 0 HD23 LEU A 33 3.955 -2.875 -0.332 1.00 1.35 H new ATOM 543 N ARG A 34 0.381 -4.630 -3.917 1.00 22.44 N ATOM 544 CA ARG A 34 0.397 -5.962 -4.549 1.00 32.12 C ATOM 545 C ARG A 34 1.709 -6.234 -5.322 1.00 2.13 C ATOM 546 O ARG A 34 2.333 -5.314 -5.849 1.00 14.24 O ATOM 547 CB ARG A 34 -0.827 -6.096 -5.467 1.00 71.14 C ATOM 548 CG ARG A 34 -2.155 -5.987 -4.716 1.00 55.11 C ATOM 549 CD ARG A 34 -3.364 -6.065 -5.645 1.00 53.22 C ATOM 550 NE ARG A 34 -3.394 -7.305 -6.422 1.00 44.31 N ATOM 551 CZ ARG A 34 -4.318 -8.225 -6.318 1.00 54.51 C ATOM 552 NH1 ARG A 34 -5.271 -8.119 -5.450 1.00 72.02 N ATOM 553 NH2 ARG A 34 -4.278 -9.268 -7.080 1.00 2.20 N ATOM 0 H ARG A 34 0.431 -3.851 -4.573 1.00 22.44 H new ATOM 0 HA ARG A 34 0.350 -6.715 -3.762 1.00 32.12 H new ATOM 0 HB2 ARG A 34 -0.785 -5.322 -6.233 1.00 71.14 H new ATOM 0 HB3 ARG A 34 -0.785 -7.056 -5.981 1.00 71.14 H new ATOM 0 HG2 ARG A 34 -2.217 -6.786 -3.978 1.00 55.11 H new ATOM 0 HG3 ARG A 34 -2.182 -5.045 -4.169 1.00 55.11 H new ATOM 0 HD2 ARG A 34 -4.277 -5.987 -5.055 1.00 53.22 H new ATOM 0 HD3 ARG A 34 -3.351 -5.214 -6.326 1.00 53.22 H new ATOM 0 HE ARG A 34 -2.641 -7.463 -7.092 1.00 44.31 H new ATOM 0 HH11 ARG A 34 -5.311 -7.308 -4.832 1.00 72.02 H new ATOM 0 HH12 ARG A 34 -5.983 -8.846 -5.383 1.00 72.02 H new ATOM 0 HH21 ARG A 34 -3.526 -9.373 -7.762 1.00 2.20 H new ATOM 0 HH22 ARG A 34 -4.998 -9.986 -7.000 1.00 2.20 H new ATOM 567 N PRO A 35 2.146 -7.522 -5.387 1.00 43.50 N ATOM 568 CA PRO A 35 3.437 -7.922 -5.989 1.00 23.44 C ATOM 569 C PRO A 35 3.713 -7.335 -7.387 1.00 15.23 C ATOM 570 O PRO A 35 4.858 -7.001 -7.698 1.00 21.32 O ATOM 571 CB PRO A 35 3.367 -9.460 -6.058 1.00 24.12 C ATOM 572 CG PRO A 35 1.977 -9.836 -5.650 1.00 61.14 C ATOM 573 CD PRO A 35 1.429 -8.686 -4.850 1.00 74.12 C ATOM 0 HA PRO A 35 4.258 -7.537 -5.384 1.00 23.44 H new ATOM 0 HB2 PRO A 35 3.586 -9.814 -7.065 1.00 24.12 H new ATOM 0 HB3 PRO A 35 4.103 -9.913 -5.394 1.00 24.12 H new ATOM 0 HG2 PRO A 35 1.356 -10.028 -6.525 1.00 61.14 H new ATOM 0 HG3 PRO A 35 1.983 -10.751 -5.057 1.00 61.14 H new ATOM 0 HD2 PRO A 35 0.351 -8.587 -4.977 1.00 74.12 H new ATOM 0 HD3 PRO A 35 1.614 -8.815 -3.784 1.00 74.12 H new ATOM 581 N ARG A 36 2.687 -7.213 -8.233 1.00 61.34 N ATOM 582 CA ARG A 36 2.879 -6.653 -9.584 1.00 11.35 C ATOM 583 C ARG A 36 3.394 -5.206 -9.530 1.00 13.22 C ATOM 584 O ARG A 36 4.052 -4.733 -10.457 1.00 21.12 O ATOM 585 CB ARG A 36 1.576 -6.705 -10.392 1.00 52.33 C ATOM 586 CG ARG A 36 1.150 -8.111 -10.800 1.00 63.10 C ATOM 587 CD ARG A 36 -0.092 -8.087 -11.687 1.00 21.02 C ATOM 588 NE ARG A 36 0.114 -7.287 -12.895 1.00 31.23 N ATOM 589 CZ ARG A 36 -0.722 -7.227 -13.896 1.00 63.51 C ATOM 590 NH1 ARG A 36 -1.832 -7.897 -13.871 1.00 53.23 N ATOM 591 NH2 ARG A 36 -0.446 -6.487 -14.920 1.00 5.34 N ATOM 0 H ARG A 36 1.729 -7.488 -8.017 1.00 61.34 H new ATOM 0 HA ARG A 36 3.630 -7.269 -10.079 1.00 11.35 H new ATOM 0 HB2 ARG A 36 0.778 -6.252 -9.803 1.00 52.33 H new ATOM 0 HB3 ARG A 36 1.694 -6.098 -11.290 1.00 52.33 H new ATOM 0 HG2 ARG A 36 1.967 -8.600 -11.330 1.00 63.10 H new ATOM 0 HG3 ARG A 36 0.949 -8.704 -9.908 1.00 63.10 H new ATOM 0 HD2 ARG A 36 -0.357 -9.106 -11.968 1.00 21.02 H new ATOM 0 HD3 ARG A 36 -0.933 -7.683 -11.123 1.00 21.02 H new ATOM 0 HE ARG A 36 0.971 -6.738 -12.959 1.00 31.23 H new ATOM 0 HH11 ARG A 36 -2.059 -8.478 -13.064 1.00 53.23 H new ATOM 0 HH12 ARG A 36 -2.478 -7.843 -14.658 1.00 53.23 H new ATOM 0 HH21 ARG A 36 0.423 -5.953 -14.944 1.00 5.34 H new ATOM 0 HH22 ARG A 36 -1.097 -6.438 -15.704 1.00 5.34 H new ATOM 605 N ASP A 37 3.092 -4.516 -8.438 1.00 71.21 N ATOM 606 CA ASP A 37 3.494 -3.122 -8.257 1.00 40.41 C ATOM 607 C ASP A 37 4.787 -3.004 -7.428 1.00 13.14 C ATOM 608 O ASP A 37 5.225 -1.904 -7.095 1.00 3.44 O ATOM 609 CB ASP A 37 2.351 -2.364 -7.580 1.00 63.13 C ATOM 610 CG ASP A 37 1.035 -2.576 -8.308 1.00 55.52 C ATOM 611 OD1 ASP A 37 0.828 -1.943 -9.365 1.00 12.22 O ATOM 612 OD2 ASP A 37 0.215 -3.396 -7.846 1.00 72.35 O ATOM 0 H ASP A 37 2.564 -4.902 -7.655 1.00 71.21 H new ATOM 0 HA ASP A 37 3.703 -2.687 -9.234 1.00 40.41 H new ATOM 0 HB2 ASP A 37 2.254 -2.697 -6.547 1.00 63.13 H new ATOM 0 HB3 ASP A 37 2.585 -1.300 -7.552 1.00 63.13 H new ATOM 617 N MET A 38 5.401 -4.142 -7.110 1.00 53.14 N ATOM 618 CA MET A 38 6.620 -4.170 -6.291 1.00 62.05 C ATOM 619 C MET A 38 7.888 -4.229 -7.157 1.00 54.32 C ATOM 620 O MET A 38 8.100 -5.182 -7.905 1.00 51.00 O ATOM 621 CB MET A 38 6.587 -5.371 -5.335 1.00 42.13 C ATOM 622 CG MET A 38 5.407 -5.347 -4.376 1.00 62.44 C ATOM 623 SD MET A 38 5.401 -3.883 -3.329 1.00 72.40 S ATOM 624 CE MET A 38 6.798 -4.208 -2.260 1.00 61.53 C ATOM 0 H MET A 38 5.076 -5.062 -7.406 1.00 53.14 H new ATOM 0 HA MET A 38 6.650 -3.245 -5.716 1.00 62.05 H new ATOM 0 HB2 MET A 38 6.552 -6.290 -5.919 1.00 42.13 H new ATOM 0 HB3 MET A 38 7.513 -5.394 -4.760 1.00 42.13 H new ATOM 0 HG2 MET A 38 4.479 -5.386 -4.946 1.00 62.44 H new ATOM 0 HG3 MET A 38 5.434 -6.238 -3.749 1.00 62.44 H new ATOM 0 HE1 MET A 38 6.463 -4.243 -1.224 1.00 61.53 H new ATOM 0 HE2 MET A 38 7.247 -5.164 -2.529 1.00 61.53 H new ATOM 0 HE3 MET A 38 7.537 -3.415 -2.375 1.00 61.53 H new ATOM 634 N ILE A 39 8.737 -3.207 -7.042 1.00 75.31 N ATOM 635 CA ILE A 39 9.983 -3.140 -7.817 1.00 52.43 C ATOM 636 C ILE A 39 11.144 -3.891 -7.127 1.00 32.34 C ATOM 637 O ILE A 39 11.526 -4.983 -7.552 1.00 31.41 O ATOM 638 CB ILE A 39 10.397 -1.665 -8.071 1.00 3.55 C ATOM 639 CG1 ILE A 39 9.279 -0.910 -8.812 1.00 74.44 C ATOM 640 CG2 ILE A 39 11.711 -1.586 -8.849 1.00 52.51 C ATOM 641 CD1 ILE A 39 8.933 -1.486 -10.170 1.00 12.54 C ATOM 0 H ILE A 39 8.587 -2.412 -6.420 1.00 75.31 H new ATOM 0 HA ILE A 39 9.784 -3.631 -8.769 1.00 52.43 H new ATOM 0 HB ILE A 39 10.553 -1.188 -7.104 1.00 3.55 H new ATOM 0 HG12 ILE A 39 8.383 -0.910 -8.191 1.00 74.44 H new ATOM 0 HG13 ILE A 39 9.580 0.130 -8.937 1.00 74.44 H new ATOM 0 HG21 ILE A 39 11.975 -0.541 -9.012 1.00 52.51 H new ATOM 0 HG22 ILE A 39 12.501 -2.076 -8.280 1.00 52.51 H new ATOM 0 HG23 ILE A 39 11.595 -2.085 -9.811 1.00 52.51 H new ATOM 0 HD11 ILE A 39 8.137 -0.895 -10.624 1.00 12.54 H new ATOM 0 HD12 ILE A 39 9.814 -1.461 -10.811 1.00 12.54 H new ATOM 0 HD13 ILE A 39 8.599 -2.517 -10.053 1.00 12.54 H new ATOM 653 N SER A 40 11.689 -3.316 -6.052 1.00 30.34 N ATOM 654 CA SER A 40 12.892 -3.872 -5.395 1.00 24.45 C ATOM 655 C SER A 40 12.559 -4.779 -4.199 1.00 4.51 C ATOM 656 O SER A 40 13.455 -5.370 -3.593 1.00 53.31 O ATOM 657 CB SER A 40 13.806 -2.731 -4.926 1.00 33.30 C ATOM 658 OG SER A 40 14.214 -1.919 -6.017 1.00 30.53 O ATOM 0 H SER A 40 11.324 -2.470 -5.614 1.00 30.34 H new ATOM 0 HA SER A 40 13.398 -4.488 -6.139 1.00 24.45 H new ATOM 0 HB2 SER A 40 13.282 -2.120 -4.191 1.00 33.30 H new ATOM 0 HB3 SER A 40 14.683 -3.145 -4.429 1.00 33.30 H new ATOM 0 HG SER A 40 14.794 -1.199 -5.690 1.00 30.53 H new ATOM 664 N LEU A 41 11.278 -4.901 -3.858 1.00 71.15 N ATOM 665 CA LEU A 41 10.870 -5.682 -2.679 1.00 43.11 C ATOM 666 C LEU A 41 9.986 -6.889 -3.043 1.00 21.44 C ATOM 667 O LEU A 41 9.128 -6.815 -3.924 1.00 23.42 O ATOM 668 CB LEU A 41 10.147 -4.781 -1.663 1.00 51.33 C ATOM 669 CG LEU A 41 11.037 -3.762 -0.924 1.00 61.50 C ATOM 670 CD1 LEU A 41 10.217 -2.953 0.078 1.00 34.21 C ATOM 671 CD2 LEU A 41 12.201 -4.464 -0.224 1.00 61.21 C ATOM 0 H LEU A 41 10.507 -4.476 -4.372 1.00 71.15 H new ATOM 0 HA LEU A 41 11.782 -6.077 -2.231 1.00 43.11 H new ATOM 0 HB2 LEU A 41 9.358 -4.237 -2.183 1.00 51.33 H new ATOM 0 HB3 LEU A 41 9.661 -5.416 -0.922 1.00 51.33 H new ATOM 0 HG LEU A 41 11.448 -3.075 -1.663 1.00 61.50 H new ATOM 0 HD11 LEU A 41 10.865 -2.240 0.588 1.00 34.21 H new ATOM 0 HD12 LEU A 41 9.428 -2.414 -0.448 1.00 34.21 H new ATOM 0 HD13 LEU A 41 9.771 -3.626 0.810 1.00 34.21 H new ATOM 0 HD21 LEU A 41 12.815 -3.725 0.291 1.00 61.21 H new ATOM 0 HD22 LEU A 41 11.812 -5.180 0.500 1.00 61.21 H new ATOM 0 HD23 LEU A 41 12.807 -4.988 -0.963 1.00 61.21 H new ATOM 683 N ARG A 42 10.231 -8.004 -2.354 1.00 23.30 N ATOM 684 CA ARG A 42 9.431 -9.231 -2.488 1.00 41.31 C ATOM 685 C ARG A 42 8.452 -9.367 -1.309 1.00 34.01 C ATOM 686 O ARG A 42 8.775 -8.964 -0.190 1.00 35.01 O ATOM 687 CB ARG A 42 10.372 -10.449 -2.498 1.00 72.13 C ATOM 688 CG ARG A 42 11.302 -10.522 -3.708 1.00 0.30 C ATOM 689 CD ARG A 42 10.557 -10.917 -4.976 1.00 3.20 C ATOM 690 NE ARG A 42 10.073 -12.294 -4.897 1.00 43.03 N ATOM 691 CZ ARG A 42 9.710 -13.012 -5.921 1.00 70.43 C ATOM 692 NH1 ARG A 42 9.731 -12.523 -7.119 1.00 72.21 N ATOM 693 NH2 ARG A 42 9.327 -14.230 -5.735 1.00 24.41 N ATOM 0 H ARG A 42 10.994 -8.086 -1.682 1.00 23.30 H new ATOM 0 HA ARG A 42 8.864 -9.181 -3.418 1.00 41.31 H new ATOM 0 HB2 ARG A 42 10.977 -10.432 -1.591 1.00 72.13 H new ATOM 0 HB3 ARG A 42 9.770 -11.357 -2.463 1.00 72.13 H new ATOM 0 HG2 ARG A 42 11.782 -9.554 -3.856 1.00 0.30 H new ATOM 0 HG3 ARG A 42 12.095 -11.244 -3.513 1.00 0.30 H new ATOM 0 HD2 ARG A 42 9.716 -10.241 -5.132 1.00 3.20 H new ATOM 0 HD3 ARG A 42 11.217 -10.809 -5.837 1.00 3.20 H new ATOM 0 HE ARG A 42 10.015 -12.723 -3.974 1.00 43.03 H new ATOM 0 HH11 ARG A 42 10.035 -11.562 -7.272 1.00 72.21 H new ATOM 0 HH12 ARG A 42 9.443 -13.099 -7.910 1.00 72.21 H new ATOM 0 HH21 ARG A 42 9.311 -14.621 -4.793 1.00 24.41 H new ATOM 0 HH22 ARG A 42 9.040 -14.802 -6.530 1.00 24.41 H new ATOM 707 N LEU A 43 7.271 -9.951 -1.544 1.00 4.14 N ATOM 708 CA LEU A 43 6.333 -10.250 -0.445 1.00 31.12 C ATOM 709 C LEU A 43 7.009 -11.121 0.630 1.00 43.10 C ATOM 710 O LEU A 43 6.658 -11.069 1.810 1.00 54.24 O ATOM 711 CB LEU A 43 5.079 -10.971 -0.965 1.00 35.24 C ATOM 712 CG LEU A 43 4.204 -10.178 -1.949 1.00 42.34 C ATOM 713 CD1 LEU A 43 2.968 -10.990 -2.333 1.00 53.14 C ATOM 714 CD2 LEU A 43 3.801 -8.829 -1.354 1.00 51.44 C ATOM 0 H LEU A 43 6.941 -10.224 -2.470 1.00 4.14 H new ATOM 0 HA LEU A 43 6.037 -9.298 -0.004 1.00 31.12 H new ATOM 0 HB2 LEU A 43 5.391 -11.895 -1.451 1.00 35.24 H new ATOM 0 HB3 LEU A 43 4.465 -11.252 -0.109 1.00 35.24 H new ATOM 0 HG LEU A 43 4.787 -9.987 -2.850 1.00 42.34 H new ATOM 0 HD11 LEU A 43 2.358 -10.416 -3.030 1.00 53.14 H new ATOM 0 HD12 LEU A 43 3.277 -11.923 -2.805 1.00 53.14 H new ATOM 0 HD13 LEU A 43 2.386 -11.211 -1.439 1.00 53.14 H new ATOM 0 HD21 LEU A 43 3.182 -8.286 -2.069 1.00 51.44 H new ATOM 0 HD22 LEU A 43 3.237 -8.990 -0.435 1.00 51.44 H new ATOM 0 HD23 LEU A 43 4.696 -8.247 -1.133 1.00 51.44 H new ATOM 726 N GLU A 44 7.985 -11.912 0.196 1.00 50.21 N ATOM 727 CA GLU A 44 8.745 -12.804 1.077 1.00 10.33 C ATOM 728 C GLU A 44 9.571 -12.025 2.115 1.00 22.22 C ATOM 729 O GLU A 44 9.903 -12.546 3.183 1.00 65.04 O ATOM 730 CB GLU A 44 9.687 -13.658 0.218 1.00 41.55 C ATOM 731 CG GLU A 44 8.995 -14.349 -0.955 1.00 21.21 C ATOM 732 CD GLU A 44 9.976 -15.010 -1.909 1.00 3.50 C ATOM 733 OE1 GLU A 44 10.518 -16.085 -1.573 1.00 62.01 O ATOM 734 OE2 GLU A 44 10.225 -14.446 -2.996 1.00 64.21 O ATOM 0 H GLU A 44 8.276 -11.955 -0.781 1.00 50.21 H new ATOM 0 HA GLU A 44 8.037 -13.429 1.621 1.00 10.33 H new ATOM 0 HB2 GLU A 44 10.487 -13.025 -0.166 1.00 41.55 H new ATOM 0 HB3 GLU A 44 10.154 -14.414 0.849 1.00 41.55 H new ATOM 0 HG2 GLU A 44 8.304 -15.101 -0.572 1.00 21.21 H new ATOM 0 HG3 GLU A 44 8.399 -13.618 -1.502 1.00 21.21 H new ATOM 741 N ASN A 45 9.900 -10.774 1.793 1.00 63.11 N ATOM 742 CA ASN A 45 10.797 -9.965 2.629 1.00 61.42 C ATOM 743 C ASN A 45 10.044 -8.890 3.432 1.00 30.15 C ATOM 744 O ASN A 45 10.638 -8.211 4.267 1.00 1.23 O ATOM 745 CB ASN A 45 11.858 -9.287 1.752 1.00 0.11 C ATOM 746 CG ASN A 45 12.550 -10.252 0.806 1.00 73.14 C ATOM 747 OD1 ASN A 45 12.687 -11.438 1.087 1.00 62.30 O ATOM 748 ND2 ASN A 45 12.997 -9.748 -0.323 1.00 1.03 N ATOM 0 H ASN A 45 9.560 -10.295 0.959 1.00 63.11 H new ATOM 0 HA ASN A 45 11.267 -10.644 3.341 1.00 61.42 H new ATOM 0 HB2 ASN A 45 11.389 -8.492 1.172 1.00 0.11 H new ATOM 0 HB3 ASN A 45 12.604 -8.816 2.392 1.00 0.11 H new ATOM 0 HD21 ASN A 45 13.474 -10.348 -0.996 1.00 1.03 H new ATOM 0 HD22 ASN A 45 12.867 -8.757 -0.526 1.00 1.03 H new ATOM 755 N LEU A 46 8.747 -8.728 3.176 1.00 11.32 N ATOM 756 CA LEU A 46 7.968 -7.663 3.823 1.00 15.13 C ATOM 757 C LEU A 46 7.605 -8.021 5.273 1.00 32.22 C ATOM 758 O LEU A 46 7.225 -9.155 5.573 1.00 51.25 O ATOM 759 CB LEU A 46 6.696 -7.359 3.018 1.00 10.32 C ATOM 760 CG LEU A 46 6.920 -6.978 1.543 1.00 34.25 C ATOM 761 CD1 LEU A 46 5.619 -6.501 0.899 1.00 14.10 C ATOM 762 CD2 LEU A 46 8.014 -5.919 1.413 1.00 0.13 C ATOM 0 H LEU A 46 8.214 -9.312 2.532 1.00 11.32 H new ATOM 0 HA LEU A 46 8.595 -6.772 3.848 1.00 15.13 H new ATOM 0 HB2 LEU A 46 6.046 -8.233 3.055 1.00 10.32 H new ATOM 0 HB3 LEU A 46 6.163 -6.545 3.508 1.00 10.32 H new ATOM 0 HG LEU A 46 7.251 -7.870 1.011 1.00 34.25 H new ATOM 0 HD11 LEU A 46 5.804 -6.238 -0.143 1.00 14.10 H new ATOM 0 HD12 LEU A 46 4.876 -7.298 0.946 1.00 14.10 H new ATOM 0 HD13 LEU A 46 5.248 -5.627 1.434 1.00 14.10 H new ATOM 0 HD21 LEU A 46 8.153 -5.667 0.362 1.00 0.13 H new ATOM 0 HD22 LEU A 46 7.723 -5.025 1.965 1.00 0.13 H new ATOM 0 HD23 LEU A 46 8.947 -6.308 1.819 1.00 0.13 H new ATOM 774 N ASN A 47 7.715 -7.038 6.166 1.00 22.23 N ATOM 775 CA ASN A 47 7.456 -7.246 7.596 1.00 11.04 C ATOM 776 C ASN A 47 6.295 -6.374 8.093 1.00 44.23 C ATOM 777 O ASN A 47 6.141 -5.223 7.679 1.00 24.24 O ATOM 778 CB ASN A 47 8.714 -6.917 8.406 1.00 11.04 C ATOM 779 CG ASN A 47 9.937 -7.647 7.891 1.00 41.31 C ATOM 780 OD1 ASN A 47 10.257 -8.743 8.337 1.00 54.24 O ATOM 781 ND2 ASN A 47 10.625 -7.049 6.945 1.00 1.14 N ATOM 0 H ASN A 47 7.983 -6.084 5.925 1.00 22.23 H new ATOM 0 HA ASN A 47 7.183 -8.292 7.733 1.00 11.04 H new ATOM 0 HB2 ASN A 47 8.894 -5.843 8.373 1.00 11.04 H new ATOM 0 HB3 ASN A 47 8.550 -7.180 9.451 1.00 11.04 H new ATOM 0 HD21 ASN A 47 11.455 -7.497 6.557 1.00 1.14 H new ATOM 0 HD22 ASN A 47 10.329 -6.137 6.598 1.00 1.14 H new ATOM 788 N VAL A 48 5.484 -6.927 8.991 1.00 72.32 N ATOM 789 CA VAL A 48 4.428 -6.150 9.641 1.00 23.33 C ATOM 790 C VAL A 48 5.041 -5.006 10.465 1.00 64.44 C ATOM 791 O VAL A 48 5.733 -5.242 11.458 1.00 72.24 O ATOM 792 CB VAL A 48 3.549 -7.037 10.559 1.00 15.14 C ATOM 793 CG1 VAL A 48 2.474 -6.203 11.259 1.00 52.23 C ATOM 794 CG2 VAL A 48 2.921 -8.179 9.760 1.00 2.30 C ATOM 0 H VAL A 48 5.535 -7.902 9.285 1.00 72.32 H new ATOM 0 HA VAL A 48 3.793 -5.738 8.856 1.00 23.33 H new ATOM 0 HB VAL A 48 4.188 -7.470 11.328 1.00 15.14 H new ATOM 0 HG11 VAL A 48 1.871 -6.849 11.897 1.00 52.23 H new ATOM 0 HG12 VAL A 48 2.949 -5.433 11.867 1.00 52.23 H new ATOM 0 HG13 VAL A 48 1.835 -5.732 10.512 1.00 52.23 H new ATOM 0 HG21 VAL A 48 2.307 -8.791 10.421 1.00 2.30 H new ATOM 0 HG22 VAL A 48 2.299 -7.768 8.965 1.00 2.30 H new ATOM 0 HG23 VAL A 48 3.708 -8.794 9.323 1.00 2.30 H new ATOM 804 N GLY A 49 4.791 -3.770 10.044 1.00 52.11 N ATOM 805 CA GLY A 49 5.397 -2.615 10.700 1.00 40.01 C ATOM 806 C GLY A 49 6.391 -1.863 9.814 1.00 15.31 C ATOM 807 O GLY A 49 6.941 -0.835 10.223 1.00 52.45 O ATOM 0 H GLY A 49 4.180 -3.543 9.260 1.00 52.11 H new ATOM 0 HA2 GLY A 49 4.609 -1.929 11.012 1.00 40.01 H new ATOM 0 HA3 GLY A 49 5.907 -2.947 11.604 1.00 40.01 H new ATOM 811 N ASP A 50 6.646 -2.375 8.607 1.00 71.12 N ATOM 812 CA ASP A 50 7.497 -1.673 7.638 1.00 5.15 C ATOM 813 C ASP A 50 6.832 -0.381 7.139 1.00 61.35 C ATOM 814 O ASP A 50 5.728 -0.405 6.594 1.00 20.10 O ATOM 815 CB ASP A 50 7.851 -2.582 6.445 1.00 41.11 C ATOM 816 CG ASP A 50 9.095 -3.421 6.692 1.00 33.30 C ATOM 817 OD1 ASP A 50 10.033 -2.916 7.346 1.00 14.44 O ATOM 818 OD2 ASP A 50 9.158 -4.564 6.198 1.00 42.10 O ATOM 0 H ASP A 50 6.279 -3.268 8.277 1.00 71.12 H new ATOM 0 HA ASP A 50 8.419 -1.406 8.155 1.00 5.15 H new ATOM 0 HB2 ASP A 50 7.009 -3.242 6.235 1.00 41.11 H new ATOM 0 HB3 ASP A 50 8.003 -1.967 5.558 1.00 41.11 H new ATOM 823 N GLU A 51 7.515 0.742 7.340 1.00 63.34 N ATOM 824 CA GLU A 51 7.034 2.046 6.880 1.00 33.43 C ATOM 825 C GLU A 51 7.687 2.418 5.540 1.00 32.12 C ATOM 826 O GLU A 51 8.833 2.878 5.489 1.00 32.30 O ATOM 827 CB GLU A 51 7.317 3.113 7.944 1.00 62.41 C ATOM 828 CG GLU A 51 6.658 2.812 9.288 1.00 35.11 C ATOM 829 CD GLU A 51 7.031 3.810 10.372 1.00 35.13 C ATOM 830 OE1 GLU A 51 8.147 3.699 10.926 1.00 54.02 O ATOM 831 OE2 GLU A 51 6.211 4.702 10.683 1.00 31.13 O ATOM 0 H GLU A 51 8.413 0.777 7.823 1.00 63.34 H new ATOM 0 HA GLU A 51 5.957 1.992 6.724 1.00 33.43 H new ATOM 0 HB2 GLU A 51 8.394 3.198 8.086 1.00 62.41 H new ATOM 0 HB3 GLU A 51 6.965 4.079 7.583 1.00 62.41 H new ATOM 0 HG2 GLU A 51 5.575 2.809 9.162 1.00 35.11 H new ATOM 0 HG3 GLU A 51 6.944 1.811 9.610 1.00 35.11 H new ATOM 838 N ILE A 52 6.950 2.198 4.456 1.00 72.24 N ATOM 839 CA ILE A 52 7.482 2.362 3.097 1.00 75.21 C ATOM 840 C ILE A 52 6.793 3.515 2.343 1.00 10.21 C ATOM 841 O ILE A 52 5.593 3.746 2.499 1.00 15.43 O ATOM 842 CB ILE A 52 7.314 1.048 2.286 1.00 45.55 C ATOM 843 CG1 ILE A 52 7.922 -0.135 3.061 1.00 22.41 C ATOM 844 CG2 ILE A 52 7.962 1.178 0.905 1.00 11.22 C ATOM 845 CD1 ILE A 52 7.714 -1.480 2.396 1.00 12.31 C ATOM 0 H ILE A 52 5.974 1.903 4.488 1.00 72.24 H new ATOM 0 HA ILE A 52 8.540 2.603 3.196 1.00 75.21 H new ATOM 0 HB ILE A 52 6.250 0.861 2.144 1.00 45.55 H new ATOM 0 HG12 ILE A 52 8.991 0.036 3.184 1.00 22.41 H new ATOM 0 HG13 ILE A 52 7.486 -0.164 4.060 1.00 22.41 H new ATOM 0 HG21 ILE A 52 7.833 0.247 0.353 1.00 11.22 H new ATOM 0 HG22 ILE A 52 7.490 1.993 0.357 1.00 11.22 H new ATOM 0 HG23 ILE A 52 9.026 1.387 1.020 1.00 11.22 H new ATOM 0 HD11 ILE A 52 8.171 -2.261 3.004 1.00 12.31 H new ATOM 0 HD12 ILE A 52 6.646 -1.676 2.297 1.00 12.31 H new ATOM 0 HD13 ILE A 52 8.175 -1.473 1.408 1.00 12.31 H new ATOM 857 N ILE A 53 7.564 4.242 1.536 1.00 11.24 N ATOM 858 CA ILE A 53 7.019 5.317 0.701 1.00 74.20 C ATOM 859 C ILE A 53 6.463 4.754 -0.621 1.00 43.44 C ATOM 860 O ILE A 53 7.210 4.241 -1.453 1.00 72.42 O ATOM 861 CB ILE A 53 8.096 6.390 0.395 1.00 32.43 C ATOM 862 CG1 ILE A 53 8.673 6.956 1.709 1.00 13.11 C ATOM 863 CG2 ILE A 53 7.518 7.510 -0.474 1.00 52.14 C ATOM 864 CD1 ILE A 53 9.781 7.973 1.512 1.00 63.13 C ATOM 0 H ILE A 53 8.571 4.107 1.441 1.00 11.24 H new ATOM 0 HA ILE A 53 6.208 5.785 1.260 1.00 74.20 H new ATOM 0 HB ILE A 53 8.905 5.919 -0.163 1.00 32.43 H new ATOM 0 HG12 ILE A 53 7.867 7.419 2.278 1.00 13.11 H new ATOM 0 HG13 ILE A 53 9.054 6.131 2.311 1.00 13.11 H new ATOM 0 HG21 ILE A 53 8.292 8.251 -0.675 1.00 52.14 H new ATOM 0 HG22 ILE A 53 7.161 7.093 -1.416 1.00 52.14 H new ATOM 0 HG23 ILE A 53 6.688 7.985 0.049 1.00 52.14 H new ATOM 0 HD11 ILE A 53 10.132 8.322 2.483 1.00 63.13 H new ATOM 0 HD12 ILE A 53 10.607 7.511 0.972 1.00 63.13 H new ATOM 0 HD13 ILE A 53 9.401 8.819 0.939 1.00 63.13 H new ATOM 876 N VAL A 54 5.147 4.852 -0.803 1.00 30.33 N ATOM 877 CA VAL A 54 4.475 4.295 -1.985 1.00 50.21 C ATOM 878 C VAL A 54 3.613 5.345 -2.708 1.00 44.40 C ATOM 879 O VAL A 54 3.318 6.414 -2.167 1.00 72.14 O ATOM 880 CB VAL A 54 3.579 3.088 -1.599 1.00 72.24 C ATOM 881 CG1 VAL A 54 4.422 1.921 -1.082 1.00 44.23 C ATOM 882 CG2 VAL A 54 2.530 3.499 -0.564 1.00 3.41 C ATOM 0 H VAL A 54 4.519 5.314 -0.145 1.00 30.33 H new ATOM 0 HA VAL A 54 5.264 3.966 -2.662 1.00 50.21 H new ATOM 0 HB VAL A 54 3.059 2.755 -2.498 1.00 72.24 H new ATOM 0 HG11 VAL A 54 3.769 1.089 -0.819 1.00 44.23 H new ATOM 0 HG12 VAL A 54 5.119 1.604 -1.858 1.00 44.23 H new ATOM 0 HG13 VAL A 54 4.980 2.237 -0.200 1.00 44.23 H new ATOM 0 HG21 VAL A 54 1.914 2.637 -0.309 1.00 3.41 H new ATOM 0 HG22 VAL A 54 3.028 3.867 0.333 1.00 3.41 H new ATOM 0 HG23 VAL A 54 1.900 4.286 -0.978 1.00 3.41 H new ATOM 892 N GLN A 55 3.211 5.032 -3.941 1.00 11.12 N ATOM 893 CA GLN A 55 2.335 5.917 -4.720 1.00 14.42 C ATOM 894 C GLN A 55 0.919 5.330 -4.833 1.00 41.41 C ATOM 895 O GLN A 55 0.751 4.143 -5.118 1.00 3.40 O ATOM 896 CB GLN A 55 2.917 6.140 -6.122 1.00 62.44 C ATOM 897 CG GLN A 55 2.132 7.141 -6.965 1.00 32.01 C ATOM 898 CD GLN A 55 2.723 7.345 -8.350 1.00 44.03 C ATOM 899 OE1 GLN A 55 3.313 6.441 -8.933 1.00 70.13 O ATOM 900 NE2 GLN A 55 2.586 8.544 -8.880 1.00 33.32 N ATOM 0 H GLN A 55 3.476 4.174 -4.424 1.00 11.12 H new ATOM 0 HA GLN A 55 2.273 6.873 -4.200 1.00 14.42 H new ATOM 0 HB2 GLN A 55 3.946 6.488 -6.027 1.00 62.44 H new ATOM 0 HB3 GLN A 55 2.951 5.185 -6.647 1.00 62.44 H new ATOM 0 HG2 GLN A 55 1.102 6.797 -7.063 1.00 32.01 H new ATOM 0 HG3 GLN A 55 2.100 8.099 -6.445 1.00 32.01 H new ATOM 0 HE21 GLN A 55 2.090 9.274 -8.369 1.00 33.32 H new ATOM 0 HE22 GLN A 55 2.976 8.742 -9.801 1.00 33.32 H new ATOM 909 N ALA A 56 -0.092 6.163 -4.612 1.00 53.24 N ATOM 910 CA ALA A 56 -1.487 5.723 -4.714 1.00 44.55 C ATOM 911 C ALA A 56 -1.925 5.580 -6.180 1.00 50.12 C ATOM 912 O ALA A 56 -2.142 6.574 -6.869 1.00 62.12 O ATOM 913 CB ALA A 56 -2.400 6.700 -3.978 1.00 54.22 C ATOM 0 H ALA A 56 0.023 7.145 -4.361 1.00 53.24 H new ATOM 0 HA ALA A 56 -1.566 4.741 -4.248 1.00 44.55 H new ATOM 0 HB1 ALA A 56 -3.434 6.364 -4.060 1.00 54.22 H new ATOM 0 HB2 ALA A 56 -2.115 6.743 -2.927 1.00 54.22 H new ATOM 0 HB3 ALA A 56 -2.305 7.691 -4.421 1.00 54.22 H new ATOM 919 N ILE A 57 -2.040 4.339 -6.653 1.00 74.03 N ATOM 920 CA ILE A 57 -2.483 4.062 -8.026 1.00 65.03 C ATOM 921 C ILE A 57 -3.910 4.585 -8.265 1.00 60.13 C ATOM 922 O ILE A 57 -4.112 5.571 -8.978 1.00 13.32 O ATOM 923 CB ILE A 57 -2.449 2.544 -8.338 1.00 15.42 C ATOM 924 CG1 ILE A 57 -1.085 1.946 -7.967 1.00 22.41 C ATOM 925 CG2 ILE A 57 -2.766 2.287 -9.813 1.00 22.40 C ATOM 926 CD1 ILE A 57 -1.013 0.444 -8.144 1.00 50.04 C ATOM 0 H ILE A 57 -1.832 3.504 -6.105 1.00 74.03 H new ATOM 0 HA ILE A 57 -1.790 4.579 -8.689 1.00 65.03 H new ATOM 0 HB ILE A 57 -3.214 2.055 -7.734 1.00 15.42 H new ATOM 0 HG12 ILE A 57 -0.314 2.413 -8.580 1.00 22.41 H new ATOM 0 HG13 ILE A 57 -0.860 2.192 -6.929 1.00 22.41 H new ATOM 0 HG21 ILE A 57 -2.737 1.215 -10.010 1.00 22.40 H new ATOM 0 HG22 ILE A 57 -3.759 2.671 -10.044 1.00 22.40 H new ATOM 0 HG23 ILE A 57 -2.028 2.791 -10.437 1.00 22.40 H new ATOM 0 HD11 ILE A 57 -0.021 0.092 -7.863 1.00 50.04 H new ATOM 0 HD12 ILE A 57 -1.760 -0.033 -7.510 1.00 50.04 H new ATOM 0 HD13 ILE A 57 -1.206 0.191 -9.186 1.00 50.04 H new ATOM 938 N ASP A 58 -4.891 3.915 -7.660 1.00 53.11 N ATOM 939 CA ASP A 58 -6.294 4.337 -7.735 1.00 72.44 C ATOM 940 C ASP A 58 -6.916 4.411 -6.335 1.00 12.34 C ATOM 941 O ASP A 58 -6.685 3.546 -5.487 1.00 53.20 O ATOM 942 CB ASP A 58 -7.113 3.372 -8.602 1.00 30.33 C ATOM 943 CG ASP A 58 -6.640 3.323 -10.043 1.00 14.32 C ATOM 944 OD1 ASP A 58 -6.991 4.237 -10.823 1.00 70.11 O ATOM 945 OD2 ASP A 58 -5.929 2.369 -10.409 1.00 35.25 O ATOM 0 H ASP A 58 -4.740 3.071 -7.108 1.00 53.11 H new ATOM 0 HA ASP A 58 -6.313 5.327 -8.190 1.00 72.44 H new ATOM 0 HB2 ASP A 58 -7.058 2.371 -8.173 1.00 30.33 H new ATOM 0 HB3 ASP A 58 -8.161 3.672 -8.579 1.00 30.33 H new ATOM 950 N VAL A 59 -7.698 5.456 -6.093 1.00 21.10 N ATOM 951 CA VAL A 59 -8.443 5.594 -4.842 1.00 75.13 C ATOM 952 C VAL A 59 -9.909 5.204 -5.060 1.00 4.14 C ATOM 953 O VAL A 59 -10.671 5.952 -5.673 1.00 3.31 O ATOM 954 CB VAL A 59 -8.360 7.041 -4.294 1.00 35.13 C ATOM 955 CG1 VAL A 59 -9.133 7.178 -2.981 1.00 12.54 C ATOM 956 CG2 VAL A 59 -6.901 7.460 -4.111 1.00 0.01 C ATOM 0 H VAL A 59 -7.835 6.225 -6.749 1.00 21.10 H new ATOM 0 HA VAL A 59 -7.994 4.926 -4.107 1.00 75.13 H new ATOM 0 HB VAL A 59 -8.822 7.707 -5.023 1.00 35.13 H new ATOM 0 HG11 VAL A 59 -9.057 8.204 -2.620 1.00 12.54 H new ATOM 0 HG12 VAL A 59 -10.181 6.928 -3.148 1.00 12.54 H new ATOM 0 HG13 VAL A 59 -8.712 6.500 -2.239 1.00 12.54 H new ATOM 0 HG21 VAL A 59 -6.861 8.479 -3.726 1.00 0.01 H new ATOM 0 HG22 VAL A 59 -6.414 6.786 -3.406 1.00 0.01 H new ATOM 0 HG23 VAL A 59 -6.386 7.415 -5.071 1.00 0.01 H new ATOM 966 N ARG A 60 -10.295 4.024 -4.579 1.00 33.42 N ATOM 967 CA ARG A 60 -11.647 3.502 -4.812 1.00 22.30 C ATOM 968 C ARG A 60 -12.518 3.552 -3.540 1.00 70.53 C ATOM 969 O ARG A 60 -12.469 2.644 -2.704 1.00 31.03 O ATOM 970 CB ARG A 60 -11.553 2.060 -5.333 1.00 62.42 C ATOM 971 CG ARG A 60 -10.848 1.943 -6.687 1.00 31.22 C ATOM 972 CD ARG A 60 -10.616 0.489 -7.087 1.00 44.53 C ATOM 973 NE ARG A 60 -9.601 -0.158 -6.251 1.00 44.12 N ATOM 974 CZ ARG A 60 -9.776 -1.276 -5.599 1.00 15.03 C ATOM 975 NH1 ARG A 60 -10.911 -1.898 -5.636 1.00 11.13 N ATOM 976 NH2 ARG A 60 -8.803 -1.788 -4.924 1.00 4.32 N ATOM 0 H ARG A 60 -9.696 3.410 -4.027 1.00 33.42 H new ATOM 0 HA ARG A 60 -12.129 4.137 -5.555 1.00 22.30 H new ATOM 0 HB2 ARG A 60 -11.020 1.452 -4.602 1.00 62.42 H new ATOM 0 HB3 ARG A 60 -12.558 1.647 -5.419 1.00 62.42 H new ATOM 0 HG2 ARG A 60 -11.447 2.438 -7.451 1.00 31.22 H new ATOM 0 HG3 ARG A 60 -9.892 2.464 -6.644 1.00 31.22 H new ATOM 0 HD2 ARG A 60 -11.553 -0.062 -7.010 1.00 44.53 H new ATOM 0 HD3 ARG A 60 -10.306 0.446 -8.131 1.00 44.53 H new ATOM 0 HE ARG A 60 -8.692 0.298 -6.173 1.00 44.12 H new ATOM 0 HH11 ARG A 60 -11.685 -1.516 -6.180 1.00 11.13 H new ATOM 0 HH12 ARG A 60 -11.032 -2.770 -5.121 1.00 11.13 H new ATOM 0 HH21 ARG A 60 -7.897 -1.320 -4.900 1.00 4.32 H new ATOM 0 HH22 ARG A 60 -8.940 -2.661 -4.415 1.00 4.32 H new ATOM 990 N PRO A 61 -13.348 4.610 -3.385 1.00 71.14 N ATOM 991 CA PRO A 61 -14.274 4.737 -2.244 1.00 54.44 C ATOM 992 C PRO A 61 -15.362 3.652 -2.256 1.00 60.42 C ATOM 993 O PRO A 61 -15.922 3.304 -1.214 1.00 55.53 O ATOM 994 CB PRO A 61 -14.894 6.132 -2.431 1.00 54.52 C ATOM 995 CG PRO A 61 -14.723 6.437 -3.882 1.00 23.21 C ATOM 996 CD PRO A 61 -13.435 5.772 -4.292 1.00 32.32 C ATOM 0 HA PRO A 61 -13.763 4.616 -1.289 1.00 54.44 H new ATOM 0 HB2 PRO A 61 -15.946 6.138 -2.147 1.00 54.52 H new ATOM 0 HB3 PRO A 61 -14.392 6.874 -1.810 1.00 54.52 H new ATOM 0 HG2 PRO A 61 -15.562 6.055 -4.463 1.00 23.21 H new ATOM 0 HG3 PRO A 61 -14.679 7.513 -4.053 1.00 23.21 H new ATOM 0 HD2 PRO A 61 -13.456 5.465 -5.338 1.00 32.32 H new ATOM 0 HD3 PRO A 61 -12.582 6.440 -4.173 1.00 32.32 H new ATOM 1004 N GLU A 62 -15.642 3.118 -3.449 1.00 44.22 N ATOM 1005 CA GLU A 62 -16.610 2.028 -3.622 1.00 62.43 C ATOM 1006 C GLU A 62 -16.230 0.791 -2.786 1.00 70.35 C ATOM 1007 O GLU A 62 -17.098 0.091 -2.258 1.00 32.31 O ATOM 1008 CB GLU A 62 -16.692 1.643 -5.104 1.00 35.31 C ATOM 1009 CG GLU A 62 -15.384 1.094 -5.665 1.00 63.33 C ATOM 1010 CD GLU A 62 -15.465 0.737 -7.138 1.00 63.24 C ATOM 1011 OE1 GLU A 62 -16.342 -0.068 -7.507 1.00 31.30 O ATOM 1012 OE2 GLU A 62 -14.640 1.241 -7.927 1.00 75.34 O ATOM 0 H GLU A 62 -15.207 3.427 -4.318 1.00 44.22 H new ATOM 0 HA GLU A 62 -17.580 2.382 -3.274 1.00 62.43 H new ATOM 0 HB2 GLU A 62 -17.475 0.896 -5.234 1.00 35.31 H new ATOM 0 HB3 GLU A 62 -16.987 2.518 -5.683 1.00 35.31 H new ATOM 0 HG2 GLU A 62 -14.596 1.833 -5.520 1.00 63.33 H new ATOM 0 HG3 GLU A 62 -15.098 0.208 -5.099 1.00 63.33 H new ATOM 1019 N LYS A 63 -14.929 0.515 -2.691 1.00 44.40 N ATOM 1020 CA LYS A 63 -14.429 -0.607 -1.886 1.00 74.14 C ATOM 1021 C LYS A 63 -13.791 -0.105 -0.582 1.00 61.31 C ATOM 1022 O LYS A 63 -13.513 -0.891 0.325 1.00 64.11 O ATOM 1023 CB LYS A 63 -13.396 -1.430 -2.678 1.00 31.00 C ATOM 1024 CG LYS A 63 -13.885 -1.931 -4.038 1.00 44.54 C ATOM 1025 CD LYS A 63 -15.240 -2.632 -3.947 1.00 1.45 C ATOM 1026 CE LYS A 63 -15.626 -3.308 -5.261 1.00 63.10 C ATOM 1027 NZ LYS A 63 -15.619 -2.364 -6.413 1.00 53.12 N ATOM 0 H LYS A 63 -14.200 1.052 -3.161 1.00 44.40 H new ATOM 0 HA LYS A 63 -15.280 -1.242 -1.642 1.00 74.14 H new ATOM 0 HB2 LYS A 63 -12.505 -0.821 -2.829 1.00 31.00 H new ATOM 0 HB3 LYS A 63 -13.097 -2.288 -2.076 1.00 31.00 H new ATOM 0 HG2 LYS A 63 -13.960 -1.090 -4.727 1.00 44.54 H new ATOM 0 HG3 LYS A 63 -13.150 -2.620 -4.454 1.00 44.54 H new ATOM 0 HD2 LYS A 63 -15.210 -3.377 -3.152 1.00 1.45 H new ATOM 0 HD3 LYS A 63 -16.006 -1.906 -3.675 1.00 1.45 H new ATOM 0 HE2 LYS A 63 -14.934 -4.126 -5.462 1.00 63.10 H new ATOM 0 HE3 LYS A 63 -16.619 -3.747 -5.162 1.00 63.10 H new ATOM 0 HZ1 LYS A 63 -16.016 -2.835 -7.251 1.00 53.12 H new ATOM 0 HZ2 LYS A 63 -16.193 -1.529 -6.181 1.00 53.12 H new ATOM 0 HZ3 LYS A 63 -14.642 -2.068 -6.613 1.00 53.12 H new ATOM 1041 N ARG A 64 -13.558 1.210 -0.508 1.00 72.44 N ATOM 1042 CA ARG A 64 -12.884 1.841 0.637 1.00 23.31 C ATOM 1043 C ARG A 64 -11.441 1.329 0.785 1.00 52.54 C ATOM 1044 O ARG A 64 -10.852 1.375 1.864 1.00 2.21 O ATOM 1045 CB ARG A 64 -13.689 1.629 1.931 1.00 44.23 C ATOM 1046 CG ARG A 64 -15.103 2.204 1.853 1.00 55.00 C ATOM 1047 CD ARG A 64 -15.829 2.148 3.194 1.00 2.54 C ATOM 1048 NE ARG A 64 -15.148 2.933 4.220 1.00 34.44 N ATOM 1049 CZ ARG A 64 -15.432 4.175 4.511 1.00 55.11 C ATOM 1050 NH1 ARG A 64 -16.325 4.834 3.843 1.00 35.44 N ATOM 1051 NH2 ARG A 64 -14.798 4.767 5.465 1.00 14.30 N ATOM 0 H ARG A 64 -13.830 1.868 -1.238 1.00 72.44 H new ATOM 0 HA ARG A 64 -12.832 2.913 0.448 1.00 23.31 H new ATOM 0 HB2 ARG A 64 -13.748 0.562 2.146 1.00 44.23 H new ATOM 0 HB3 ARG A 64 -13.159 2.093 2.763 1.00 44.23 H new ATOM 0 HG2 ARG A 64 -15.053 3.238 1.513 1.00 55.00 H new ATOM 0 HG3 ARG A 64 -15.677 1.651 1.109 1.00 55.00 H new ATOM 0 HD2 ARG A 64 -16.847 2.518 3.071 1.00 2.54 H new ATOM 0 HD3 ARG A 64 -15.905 1.111 3.522 1.00 2.54 H new ATOM 0 HE ARG A 64 -14.400 2.481 4.745 1.00 34.44 H new ATOM 0 HH11 ARG A 64 -16.821 4.384 3.074 1.00 35.44 H new ATOM 0 HH12 ARG A 64 -16.532 5.803 4.086 1.00 35.44 H new ATOM 0 HH21 ARG A 64 -14.079 4.266 5.988 1.00 14.30 H new ATOM 0 HH22 ARG A 64 -15.015 5.736 5.697 1.00 14.30 H new ATOM 1065 N GLU A 65 -10.876 0.875 -0.334 1.00 2.51 N ATOM 1066 CA GLU A 65 -9.489 0.398 -0.393 1.00 75.43 C ATOM 1067 C GLU A 65 -8.713 1.169 -1.473 1.00 1.15 C ATOM 1068 O GLU A 65 -9.206 1.363 -2.590 1.00 12.33 O ATOM 1069 CB GLU A 65 -9.449 -1.115 -0.692 1.00 4.23 C ATOM 1070 CG GLU A 65 -10.147 -1.975 0.359 1.00 43.22 C ATOM 1071 CD GLU A 65 -10.125 -3.464 0.027 1.00 43.45 C ATOM 1072 OE1 GLU A 65 -10.841 -3.878 -0.916 1.00 73.12 O ATOM 1073 OE2 GLU A 65 -9.407 -4.229 0.710 1.00 52.43 O ATOM 0 H GLU A 65 -11.366 0.826 -1.228 1.00 2.51 H new ATOM 0 HA GLU A 65 -9.020 0.572 0.576 1.00 75.43 H new ATOM 0 HB2 GLU A 65 -9.914 -1.296 -1.661 1.00 4.23 H new ATOM 0 HB3 GLU A 65 -8.409 -1.431 -0.773 1.00 4.23 H new ATOM 0 HG2 GLU A 65 -9.668 -1.817 1.325 1.00 43.22 H new ATOM 0 HG3 GLU A 65 -11.182 -1.647 0.459 1.00 43.22 H new ATOM 1080 N ILE A 66 -7.509 1.621 -1.135 1.00 75.42 N ATOM 1081 CA ILE A 66 -6.667 2.368 -2.075 1.00 12.41 C ATOM 1082 C ILE A 66 -5.501 1.503 -2.575 1.00 45.42 C ATOM 1083 O ILE A 66 -4.813 0.858 -1.786 1.00 23.15 O ATOM 1084 CB ILE A 66 -6.100 3.655 -1.419 1.00 61.51 C ATOM 1085 CG1 ILE A 66 -7.243 4.521 -0.862 1.00 4.53 C ATOM 1086 CG2 ILE A 66 -5.262 4.449 -2.426 1.00 30.50 C ATOM 1087 CD1 ILE A 66 -6.775 5.751 -0.111 1.00 71.54 C ATOM 0 H ILE A 66 -7.090 1.484 -0.215 1.00 75.42 H new ATOM 0 HA ILE A 66 -7.297 2.647 -2.920 1.00 12.41 H new ATOM 0 HB ILE A 66 -5.453 3.365 -0.591 1.00 61.51 H new ATOM 0 HG12 ILE A 66 -7.883 4.833 -1.687 1.00 4.53 H new ATOM 0 HG13 ILE A 66 -7.855 3.912 -0.196 1.00 4.53 H new ATOM 0 HG21 ILE A 66 -4.873 5.348 -1.947 1.00 30.50 H new ATOM 0 HG22 ILE A 66 -4.431 3.834 -2.773 1.00 30.50 H new ATOM 0 HG23 ILE A 66 -5.884 4.731 -3.275 1.00 30.50 H new ATOM 0 HD11 ILE A 66 -7.640 6.308 0.250 1.00 71.54 H new ATOM 0 HD12 ILE A 66 -6.160 5.448 0.736 1.00 71.54 H new ATOM 0 HD13 ILE A 66 -6.189 6.383 -0.778 1.00 71.54 H new ATOM 1099 N ASP A 67 -5.276 1.500 -3.882 1.00 13.11 N ATOM 1100 CA ASP A 67 -4.218 0.682 -4.479 1.00 55.42 C ATOM 1101 C ASP A 67 -2.869 1.413 -4.424 1.00 53.52 C ATOM 1102 O ASP A 67 -2.768 2.577 -4.816 1.00 31.45 O ATOM 1103 CB ASP A 67 -4.574 0.348 -5.930 1.00 53.32 C ATOM 1104 CG ASP A 67 -5.973 -0.226 -6.056 1.00 73.33 C ATOM 1105 OD1 ASP A 67 -6.197 -1.371 -5.614 1.00 4.22 O ATOM 1106 OD2 ASP A 67 -6.858 0.469 -6.596 1.00 71.50 O ATOM 0 H ASP A 67 -5.809 2.053 -4.553 1.00 13.11 H new ATOM 0 HA ASP A 67 -4.132 -0.242 -3.908 1.00 55.42 H new ATOM 0 HB2 ASP A 67 -4.496 1.249 -6.539 1.00 53.32 H new ATOM 0 HB3 ASP A 67 -3.852 -0.367 -6.325 1.00 53.32 H new ATOM 1111 N PHE A 68 -1.839 0.735 -3.929 1.00 74.45 N ATOM 1112 CA PHE A 68 -0.505 1.336 -3.814 1.00 65.05 C ATOM 1113 C PHE A 68 0.500 0.677 -4.759 1.00 70.43 C ATOM 1114 O PHE A 68 0.364 -0.491 -5.120 1.00 65.11 O ATOM 1115 CB PHE A 68 0.014 1.238 -2.374 1.00 73.03 C ATOM 1116 CG PHE A 68 -0.824 1.986 -1.375 1.00 11.32 C ATOM 1117 CD1 PHE A 68 -1.356 3.228 -1.686 1.00 33.14 C ATOM 1118 CD2 PHE A 68 -1.074 1.449 -0.121 1.00 41.54 C ATOM 1119 CE1 PHE A 68 -2.121 3.918 -0.770 1.00 11.10 C ATOM 1120 CE2 PHE A 68 -1.838 2.137 0.798 1.00 54.12 C ATOM 1121 CZ PHE A 68 -2.364 3.371 0.473 1.00 73.34 C ATOM 0 H PHE A 68 -1.897 -0.229 -3.600 1.00 74.45 H new ATOM 0 HA PHE A 68 -0.606 2.384 -4.095 1.00 65.05 H new ATOM 0 HB2 PHE A 68 0.058 0.188 -2.084 1.00 73.03 H new ATOM 0 HB3 PHE A 68 1.034 1.621 -2.338 1.00 73.03 H new ATOM 0 HD1 PHE A 68 -1.169 3.660 -2.658 1.00 33.14 H new ATOM 0 HD2 PHE A 68 -0.667 0.483 0.138 1.00 41.54 H new ATOM 0 HE1 PHE A 68 -2.529 4.885 -1.025 1.00 11.10 H new ATOM 0 HE2 PHE A 68 -2.025 1.710 1.772 1.00 54.12 H new ATOM 0 HZ PHE A 68 -2.966 3.908 1.191 1.00 73.34 H new ATOM 1131 N LYS A 69 1.516 1.442 -5.146 1.00 44.40 N ATOM 1132 CA LYS A 69 2.584 0.946 -6.016 1.00 11.33 C ATOM 1133 C LYS A 69 3.963 1.313 -5.453 1.00 22.44 C ATOM 1134 O LYS A 69 4.141 2.387 -4.871 1.00 62.34 O ATOM 1135 CB LYS A 69 2.424 1.532 -7.427 1.00 31.44 C ATOM 1136 CG LYS A 69 3.519 1.115 -8.406 1.00 51.30 C ATOM 1137 CD LYS A 69 3.300 1.715 -9.794 1.00 24.43 C ATOM 1138 CE LYS A 69 3.245 3.238 -9.753 1.00 33.44 C ATOM 1139 NZ LYS A 69 3.099 3.825 -11.109 1.00 15.32 N ATOM 0 H LYS A 69 1.625 2.418 -4.869 1.00 44.40 H new ATOM 0 HA LYS A 69 2.510 -0.140 -6.064 1.00 11.33 H new ATOM 0 HB2 LYS A 69 1.458 1.226 -7.828 1.00 31.44 H new ATOM 0 HB3 LYS A 69 2.410 2.620 -7.357 1.00 31.44 H new ATOM 0 HG2 LYS A 69 4.489 1.432 -8.022 1.00 51.30 H new ATOM 0 HG3 LYS A 69 3.545 0.028 -8.480 1.00 51.30 H new ATOM 0 HD2 LYS A 69 4.105 1.399 -10.457 1.00 24.43 H new ATOM 0 HD3 LYS A 69 2.371 1.329 -10.214 1.00 24.43 H new ATOM 0 HE2 LYS A 69 2.409 3.554 -9.129 1.00 33.44 H new ATOM 0 HE3 LYS A 69 4.153 3.621 -9.288 1.00 33.44 H new ATOM 0 HZ1 LYS A 69 3.066 4.862 -11.037 1.00 15.32 H new ATOM 0 HZ2 LYS A 69 3.909 3.545 -11.698 1.00 15.32 H new ATOM 0 HZ3 LYS A 69 2.220 3.480 -11.544 1.00 15.32 H new ATOM 1153 N TYR A 70 4.936 0.426 -5.640 1.00 33.14 N ATOM 1154 CA TYR A 70 6.308 0.685 -5.204 1.00 70.51 C ATOM 1155 C TYR A 70 7.070 1.418 -6.315 1.00 14.02 C ATOM 1156 O TYR A 70 7.337 0.859 -7.375 1.00 62.23 O ATOM 1157 CB TYR A 70 7.018 -0.632 -4.846 1.00 25.00 C ATOM 1158 CG TYR A 70 8.373 -0.443 -4.181 1.00 24.50 C ATOM 1159 CD1 TYR A 70 9.509 -0.152 -4.931 1.00 31.12 C ATOM 1160 CD2 TYR A 70 8.515 -0.553 -2.801 1.00 71.43 C ATOM 1161 CE1 TYR A 70 10.740 0.024 -4.329 1.00 13.12 C ATOM 1162 CE2 TYR A 70 9.744 -0.378 -2.194 1.00 24.31 C ATOM 1163 CZ TYR A 70 10.851 -0.088 -2.961 1.00 3.41 C ATOM 1164 OH TYR A 70 12.075 0.087 -2.360 1.00 22.11 O ATOM 0 H TYR A 70 4.802 -0.479 -6.090 1.00 33.14 H new ATOM 0 HA TYR A 70 6.285 1.312 -4.312 1.00 70.51 H new ATOM 0 HB2 TYR A 70 6.376 -1.210 -4.181 1.00 25.00 H new ATOM 0 HB3 TYR A 70 7.149 -1.221 -5.754 1.00 25.00 H new ATOM 0 HD1 TYR A 70 9.426 -0.062 -6.004 1.00 31.12 H new ATOM 0 HD2 TYR A 70 7.650 -0.779 -2.194 1.00 71.43 H new ATOM 0 HE1 TYR A 70 11.610 0.248 -4.928 1.00 13.12 H new ATOM 0 HE2 TYR A 70 9.836 -0.468 -1.122 1.00 24.31 H new ATOM 0 HH TYR A 70 11.982 -0.024 -1.391 1.00 22.11 H new ATOM 1174 N ILE A 71 7.406 2.675 -6.065 1.00 52.21 N ATOM 1175 CA ILE A 71 8.039 3.529 -7.075 1.00 50.24 C ATOM 1176 C ILE A 71 9.520 3.803 -6.761 1.00 53.31 C ATOM 1177 O ILE A 71 9.925 3.833 -5.596 1.00 12.22 O ATOM 1178 CB ILE A 71 7.292 4.884 -7.188 1.00 4.53 C ATOM 1179 CG1 ILE A 71 7.171 5.539 -5.800 1.00 64.12 C ATOM 1180 CG2 ILE A 71 5.916 4.686 -7.823 1.00 70.41 C ATOM 1181 CD1 ILE A 71 6.496 6.892 -5.811 1.00 1.04 C ATOM 0 H ILE A 71 7.252 3.134 -5.167 1.00 52.21 H new ATOM 0 HA ILE A 71 7.982 2.989 -8.020 1.00 50.24 H new ATOM 0 HB ILE A 71 7.866 5.550 -7.833 1.00 4.53 H new ATOM 0 HG12 ILE A 71 6.613 4.872 -5.143 1.00 64.12 H new ATOM 0 HG13 ILE A 71 8.168 5.646 -5.373 1.00 64.12 H new ATOM 0 HG21 ILE A 71 5.406 5.647 -7.894 1.00 70.41 H new ATOM 0 HG22 ILE A 71 6.033 4.263 -8.821 1.00 70.41 H new ATOM 0 HG23 ILE A 71 5.326 4.007 -7.208 1.00 70.41 H new ATOM 0 HD11 ILE A 71 6.451 7.284 -4.795 1.00 1.04 H new ATOM 0 HD12 ILE A 71 7.065 7.577 -6.440 1.00 1.04 H new ATOM 0 HD13 ILE A 71 5.485 6.791 -6.206 1.00 1.04 H new ATOM 1193 N PRO A 72 10.354 3.994 -7.804 1.00 31.53 N ATOM 1194 CA PRO A 72 11.745 4.432 -7.625 1.00 54.22 C ATOM 1195 C PRO A 72 11.822 5.895 -7.155 1.00 70.05 C ATOM 1196 O PRO A 72 11.501 6.820 -7.905 1.00 55.32 O ATOM 1197 CB PRO A 72 12.352 4.270 -9.027 1.00 34.12 C ATOM 1198 CG PRO A 72 11.192 4.384 -9.959 1.00 40.24 C ATOM 1199 CD PRO A 72 10.015 3.788 -9.229 1.00 40.04 C ATOM 0 HA PRO A 72 12.270 3.859 -6.861 1.00 54.22 H new ATOM 0 HB2 PRO A 72 13.097 5.040 -9.227 1.00 34.12 H new ATOM 0 HB3 PRO A 72 12.852 3.307 -9.133 1.00 34.12 H new ATOM 0 HG2 PRO A 72 11.003 5.425 -10.221 1.00 40.24 H new ATOM 0 HG3 PRO A 72 11.385 3.851 -10.890 1.00 40.24 H new ATOM 0 HD2 PRO A 72 9.083 4.286 -9.496 1.00 40.04 H new ATOM 0 HD3 PRO A 72 9.890 2.731 -9.463 1.00 40.04 H new ATOM 1207 N LEU A 73 12.226 6.100 -5.904 1.00 64.11 N ATOM 1208 CA LEU A 73 12.280 7.445 -5.324 1.00 44.31 C ATOM 1209 C LEU A 73 13.434 8.259 -5.942 1.00 41.20 C ATOM 1210 O LEU A 73 14.591 8.137 -5.531 1.00 14.41 O ATOM 1211 CB LEU A 73 12.423 7.352 -3.789 1.00 63.40 C ATOM 1212 CG LEU A 73 11.892 8.559 -2.983 1.00 40.42 C ATOM 1213 CD1 LEU A 73 11.958 8.273 -1.484 1.00 42.23 C ATOM 1214 CD2 LEU A 73 12.662 9.838 -3.315 1.00 2.45 C ATOM 0 H LEU A 73 12.521 5.356 -5.271 1.00 64.11 H new ATOM 0 HA LEU A 73 11.350 7.965 -5.552 1.00 44.31 H new ATOM 0 HB2 LEU A 73 11.902 6.457 -3.449 1.00 63.40 H new ATOM 0 HB3 LEU A 73 13.478 7.217 -3.550 1.00 63.40 H new ATOM 0 HG LEU A 73 10.851 8.713 -3.267 1.00 40.42 H new ATOM 0 HD11 LEU A 73 11.580 9.134 -0.932 1.00 42.23 H new ATOM 0 HD12 LEU A 73 11.350 7.399 -1.253 1.00 42.23 H new ATOM 0 HD13 LEU A 73 12.992 8.082 -1.195 1.00 42.23 H new ATOM 0 HD21 LEU A 73 12.262 10.666 -2.730 1.00 2.45 H new ATOM 0 HD22 LEU A 73 13.716 9.701 -3.075 1.00 2.45 H new ATOM 0 HD23 LEU A 73 12.558 10.060 -4.377 1.00 2.45 H new ATOM 1226 N GLU A 74 13.105 9.070 -6.948 1.00 21.41 N ATOM 1227 CA GLU A 74 14.093 9.920 -7.633 1.00 10.54 C ATOM 1228 C GLU A 74 14.126 11.346 -7.035 1.00 54.24 C ATOM 1229 O GLU A 74 15.026 11.636 -6.215 1.00 38.15 O ATOM 1230 CB GLU A 74 13.773 9.985 -9.138 1.00 72.22 C ATOM 1231 CG GLU A 74 13.703 8.620 -9.823 1.00 31.45 C ATOM 1232 CD GLU A 74 15.033 7.878 -9.824 1.00 33.41 C ATOM 1233 OE1 GLU A 74 15.881 8.169 -10.698 1.00 42.30 O ATOM 1234 OE2 GLU A 74 15.234 6.984 -8.972 1.00 62.54 O ATOM 0 H GLU A 74 12.156 9.160 -7.312 1.00 21.41 H new ATOM 0 HA GLU A 74 15.078 9.476 -7.489 1.00 10.54 H new ATOM 0 HB2 GLU A 74 12.820 10.496 -9.274 1.00 72.22 H new ATOM 0 HB3 GLU A 74 14.533 10.589 -9.634 1.00 72.22 H new ATOM 0 HG2 GLU A 74 12.954 8.008 -9.322 1.00 31.45 H new ATOM 0 HG3 GLU A 74 13.369 8.754 -10.852 1.00 31.45 H new TER 1241 GLU A 74