USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 429 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 48 HIS :FLIP no HD1:sc= -1.49 F(o=-3.2,f=-1.5) USER MOD Set 1.2: A 52 SER OG : rot -171:sc= 0 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 11 LYS NZ :NH3+ 156:sc= -0.0958 (180deg=-1.85!) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.589 K(o=-0.59,f=-1.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -3.89 K(o=-3.9,f=-8.2!) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot -91:sc= 1.31 USER MOD Single : A 36 GLN : amide:sc= -0.685 K(o=-0.68,f=-3.4!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.923 -2.023 -2.884 1.00 43.22 N ATOM 2 CA LEU A 1 2.268 -1.651 -4.252 1.00 2.31 C ATOM 3 C LEU A 1 2.093 -0.151 -4.469 1.00 24.02 C ATOM 4 O LEU A 1 3.071 0.587 -4.594 1.00 14.51 O ATOM 5 CB LEU A 1 1.402 -2.426 -5.246 1.00 53.21 C ATOM 6 CG LEU A 1 2.131 -3.020 -6.451 1.00 63.42 C ATOM 7 CD1 LEU A 1 2.646 -1.916 -7.362 1.00 30.33 C ATOM 8 CD2 LEU A 1 3.275 -3.914 -5.994 1.00 61.14 C ATOM 0 H1 LEU A 1 2.050 -3.048 -2.760 1.00 43.22 H new ATOM 0 H2 LEU A 1 2.541 -1.515 -2.220 1.00 43.22 H new ATOM 0 H3 LEU A 1 0.932 -1.772 -2.695 1.00 43.22 H new ATOM 0 HA LEU A 1 3.315 -1.904 -4.418 1.00 2.31 H new ATOM 0 HB2 LEU A 1 0.907 -3.236 -4.711 1.00 53.21 H new ATOM 0 HB3 LEU A 1 0.620 -1.761 -5.612 1.00 53.21 H new ATOM 0 HG LEU A 1 1.424 -3.628 -7.016 1.00 63.42 H new ATOM 0 HD11 LEU A 1 3.162 -2.358 -8.214 1.00 30.33 H new ATOM 0 HD12 LEU A 1 1.808 -1.316 -7.717 1.00 30.33 H new ATOM 0 HD13 LEU A 1 3.338 -1.281 -6.809 1.00 30.33 H new ATOM 0 HD21 LEU A 1 3.783 -4.328 -6.865 1.00 61.14 H new ATOM 0 HD22 LEU A 1 3.982 -3.328 -5.406 1.00 61.14 H new ATOM 0 HD23 LEU A 1 2.880 -4.726 -5.383 1.00 61.14 H new ATOM 20 N LYS A 2 0.842 0.294 -4.510 1.00 60.44 N ATOM 21 CA LYS A 2 0.537 1.706 -4.708 1.00 64.34 C ATOM 22 C LYS A 2 1.118 2.208 -6.026 1.00 44.12 C ATOM 23 O LYS A 2 0.458 2.164 -7.064 1.00 62.44 O ATOM 24 CB LYS A 2 1.089 2.535 -3.547 1.00 13.35 C ATOM 25 CG LYS A 2 0.911 4.032 -3.730 1.00 13.50 C ATOM 26 CD LYS A 2 2.232 4.772 -3.597 1.00 34.45 C ATOM 27 CE LYS A 2 2.335 5.914 -4.596 1.00 33.33 C ATOM 28 NZ LYS A 2 1.723 7.166 -4.071 1.00 41.25 N ATOM 0 H LYS A 2 0.022 -0.304 -4.409 1.00 60.44 H new ATOM 0 HA LYS A 2 -0.547 1.817 -4.743 1.00 64.34 H new ATOM 0 HB2 LYS A 2 0.594 2.229 -2.625 1.00 13.35 H new ATOM 0 HB3 LYS A 2 2.150 2.316 -3.427 1.00 13.35 H new ATOM 0 HG2 LYS A 2 0.479 4.231 -4.711 1.00 13.50 H new ATOM 0 HG3 LYS A 2 0.206 4.409 -2.989 1.00 13.50 H new ATOM 0 HD2 LYS A 2 2.331 5.163 -2.584 1.00 34.45 H new ATOM 0 HD3 LYS A 2 3.057 4.076 -3.752 1.00 34.45 H new ATOM 0 HE2 LYS A 2 3.383 6.094 -4.835 1.00 33.33 H new ATOM 0 HE3 LYS A 2 1.841 5.630 -5.525 1.00 33.33 H new ATOM 0 HZ1 LYS A 2 1.813 7.921 -4.781 1.00 41.25 H new ATOM 0 HZ2 LYS A 2 0.717 7.001 -3.867 1.00 41.25 H new ATOM 0 HZ3 LYS A 2 2.211 7.452 -3.198 1.00 41.25 H new ATOM 42 N VAL A 3 2.358 2.685 -5.978 1.00 24.23 N ATOM 43 CA VAL A 3 3.029 3.193 -7.168 1.00 42.02 C ATOM 44 C VAL A 3 2.342 4.449 -7.692 1.00 60.03 C ATOM 45 O VAL A 3 2.876 5.552 -7.585 1.00 11.10 O ATOM 46 CB VAL A 3 3.064 2.135 -8.287 1.00 42.33 C ATOM 47 CG1 VAL A 3 3.601 2.739 -9.576 1.00 70.02 C ATOM 48 CG2 VAL A 3 3.899 0.937 -7.862 1.00 5.33 C ATOM 0 H VAL A 3 2.918 2.730 -5.127 1.00 24.23 H new ATOM 0 HA VAL A 3 4.051 3.436 -6.876 1.00 42.02 H new ATOM 0 HB VAL A 3 2.046 1.792 -8.471 1.00 42.33 H new ATOM 0 HG11 VAL A 3 3.619 1.977 -10.355 1.00 70.02 H new ATOM 0 HG12 VAL A 3 2.958 3.562 -9.888 1.00 70.02 H new ATOM 0 HG13 VAL A 3 4.612 3.111 -9.410 1.00 70.02 H new ATOM 0 HG21 VAL A 3 3.913 0.200 -8.665 1.00 5.33 H new ATOM 0 HG22 VAL A 3 4.918 1.261 -7.649 1.00 5.33 H new ATOM 0 HG23 VAL A 3 3.466 0.491 -6.967 1.00 5.33 H new ATOM 58 N GLY A 4 1.153 4.273 -8.260 1.00 15.21 N ATOM 59 CA GLY A 4 0.411 5.401 -8.792 1.00 53.23 C ATOM 60 C GLY A 4 -0.933 4.994 -9.364 1.00 21.15 C ATOM 61 O GLY A 4 -1.454 5.645 -10.270 1.00 23.05 O ATOM 0 H GLY A 4 0.690 3.370 -8.361 1.00 15.21 H new ATOM 0 HA2 GLY A 4 0.258 6.136 -8.002 1.00 53.23 H new ATOM 0 HA3 GLY A 4 1.001 5.886 -9.569 1.00 53.23 H new ATOM 65 N PHE A 5 -1.496 3.913 -8.835 1.00 22.45 N ATOM 66 CA PHE A 5 -2.786 3.417 -9.299 1.00 52.34 C ATOM 67 C PHE A 5 -3.867 4.483 -9.140 1.00 71.51 C ATOM 68 O PHE A 5 -4.914 4.422 -9.786 1.00 3.44 O ATOM 69 CB PHE A 5 -3.180 2.156 -8.528 1.00 60.23 C ATOM 70 CG PHE A 5 -4.474 2.292 -7.777 1.00 64.42 C ATOM 71 CD1 PHE A 5 -4.515 2.940 -6.554 1.00 3.34 C ATOM 72 CD2 PHE A 5 -5.648 1.770 -8.295 1.00 14.15 C ATOM 73 CE1 PHE A 5 -5.703 3.067 -5.860 1.00 15.41 C ATOM 74 CE2 PHE A 5 -6.840 1.895 -7.606 1.00 31.53 C ATOM 75 CZ PHE A 5 -6.867 2.543 -6.386 1.00 75.24 C ATOM 0 H PHE A 5 -1.079 3.363 -8.084 1.00 22.45 H new ATOM 0 HA PHE A 5 -2.694 3.172 -10.357 1.00 52.34 H new ATOM 0 HB2 PHE A 5 -3.260 1.323 -9.226 1.00 60.23 H new ATOM 0 HB3 PHE A 5 -2.385 1.907 -7.825 1.00 60.23 H new ATOM 0 HD1 PHE A 5 -3.607 3.351 -6.137 1.00 3.34 H new ATOM 0 HD2 PHE A 5 -5.632 1.260 -9.247 1.00 14.15 H new ATOM 0 HE1 PHE A 5 -5.721 3.575 -4.907 1.00 15.41 H new ATOM 0 HE2 PHE A 5 -7.749 1.486 -8.021 1.00 31.53 H new ATOM 0 HZ PHE A 5 -7.797 2.639 -5.845 1.00 75.24 H new ATOM 85 N PHE A 6 -3.606 5.457 -8.275 1.00 41.12 N ATOM 86 CA PHE A 6 -4.556 6.536 -8.029 1.00 31.52 C ATOM 87 C PHE A 6 -4.846 7.309 -9.312 1.00 23.11 C ATOM 88 O PHE A 6 -5.949 7.818 -9.508 1.00 53.32 O ATOM 89 CB PHE A 6 -4.015 7.486 -6.958 1.00 73.33 C ATOM 90 CG PHE A 6 -4.728 7.372 -5.641 1.00 3.21 C ATOM 91 CD1 PHE A 6 -4.617 6.223 -4.875 1.00 71.54 C ATOM 92 CD2 PHE A 6 -5.507 8.415 -5.168 1.00 14.22 C ATOM 93 CE1 PHE A 6 -5.272 6.115 -3.663 1.00 52.32 C ATOM 94 CE2 PHE A 6 -6.165 8.314 -3.956 1.00 24.10 C ATOM 95 CZ PHE A 6 -6.046 7.163 -3.202 1.00 61.33 C ATOM 0 H PHE A 6 -2.745 5.522 -7.732 1.00 41.12 H new ATOM 0 HA PHE A 6 -5.487 6.093 -7.675 1.00 31.52 H new ATOM 0 HB2 PHE A 6 -2.955 7.284 -6.807 1.00 73.33 H new ATOM 0 HB3 PHE A 6 -4.096 8.511 -7.319 1.00 73.33 H new ATOM 0 HD1 PHE A 6 -4.011 5.402 -5.229 1.00 71.54 H new ATOM 0 HD2 PHE A 6 -5.602 9.318 -5.753 1.00 14.22 H new ATOM 0 HE1 PHE A 6 -5.179 5.213 -3.077 1.00 52.32 H new ATOM 0 HE2 PHE A 6 -6.771 9.134 -3.600 1.00 24.10 H new ATOM 0 HZ PHE A 6 -6.557 7.082 -2.254 1.00 61.33 H new ATOM 105 N LYS A 7 -3.846 7.393 -10.183 1.00 51.22 N ATOM 106 CA LYS A 7 -3.991 8.103 -11.448 1.00 50.24 C ATOM 107 C LYS A 7 -5.116 7.501 -12.285 1.00 24.14 C ATOM 108 O LYS A 7 -5.615 8.132 -13.217 1.00 21.54 O ATOM 109 CB LYS A 7 -2.678 8.061 -12.234 1.00 33.11 C ATOM 110 CG LYS A 7 -2.712 8.871 -13.519 1.00 22.45 C ATOM 111 CD LYS A 7 -1.424 9.652 -13.719 1.00 13.33 C ATOM 112 CE LYS A 7 -1.241 10.710 -12.641 1.00 53.23 C ATOM 113 NZ LYS A 7 -0.690 11.977 -13.196 1.00 42.41 N ATOM 0 H LYS A 7 -2.926 6.978 -10.036 1.00 51.22 H new ATOM 0 HA LYS A 7 -4.242 9.140 -11.226 1.00 50.24 H new ATOM 0 HB2 LYS A 7 -1.873 8.434 -11.601 1.00 33.11 H new ATOM 0 HB3 LYS A 7 -2.441 7.025 -12.474 1.00 33.11 H new ATOM 0 HG2 LYS A 7 -2.870 8.204 -14.367 1.00 22.45 H new ATOM 0 HG3 LYS A 7 -3.556 9.560 -13.494 1.00 22.45 H new ATOM 0 HD2 LYS A 7 -0.576 8.967 -13.706 1.00 13.33 H new ATOM 0 HD3 LYS A 7 -1.434 10.128 -14.700 1.00 13.33 H new ATOM 0 HE2 LYS A 7 -2.199 10.910 -12.162 1.00 53.23 H new ATOM 0 HE3 LYS A 7 -0.572 10.330 -11.869 1.00 53.23 H new ATOM 0 HZ1 LYS A 7 -0.580 12.672 -12.431 1.00 42.41 H new ATOM 0 HZ2 LYS A 7 0.236 11.792 -13.631 1.00 42.41 H new ATOM 0 HZ3 LYS A 7 -1.341 12.353 -13.915 1.00 42.41 H new ATOM 127 N ARG A 8 -5.510 6.278 -11.944 1.00 53.33 N ATOM 128 CA ARG A 8 -6.576 5.592 -12.664 1.00 33.42 C ATOM 129 C ARG A 8 -7.813 6.477 -12.778 1.00 14.50 C ATOM 130 O ARG A 8 -8.459 6.527 -13.824 1.00 32.32 O ATOM 131 CB ARG A 8 -6.936 4.283 -11.958 1.00 53.00 C ATOM 132 CG ARG A 8 -7.948 3.440 -12.717 1.00 12.22 C ATOM 133 CD ARG A 8 -9.375 3.832 -12.365 1.00 21.42 C ATOM 134 NE ARG A 8 -10.281 2.686 -12.398 1.00 43.52 N ATOM 135 CZ ARG A 8 -11.604 2.797 -12.447 1.00 4.12 C ATOM 136 NH1 ARG A 8 -12.172 3.995 -12.468 1.00 23.10 N ATOM 137 NH2 ARG A 8 -12.361 1.708 -12.475 1.00 30.01 N ATOM 0 H ARG A 8 -5.107 5.743 -11.175 1.00 53.33 H new ATOM 0 HA ARG A 8 -6.217 5.369 -13.669 1.00 33.42 H new ATOM 0 HB2 ARG A 8 -6.028 3.699 -11.809 1.00 53.00 H new ATOM 0 HB3 ARG A 8 -7.334 4.511 -10.969 1.00 53.00 H new ATOM 0 HG2 ARG A 8 -7.791 3.558 -13.789 1.00 12.22 H new ATOM 0 HG3 ARG A 8 -7.791 2.386 -12.486 1.00 12.22 H new ATOM 0 HD2 ARG A 8 -9.393 4.280 -11.372 1.00 21.42 H new ATOM 0 HD3 ARG A 8 -9.725 4.591 -13.064 1.00 21.42 H new ATOM 0 HE ARG A 8 -9.876 1.750 -12.383 1.00 43.52 H new ATOM 0 HH11 ARG A 8 -11.593 4.834 -12.447 1.00 23.10 H new ATOM 0 HH12 ARG A 8 -13.188 4.077 -12.506 1.00 23.10 H new ATOM 0 HH21 ARG A 8 -11.927 0.785 -12.459 1.00 30.01 H new ATOM 0 HH22 ARG A 8 -13.377 1.794 -12.513 1.00 30.01 H new ATOM 151 N ASN A 9 -8.137 7.175 -11.694 1.00 53.21 N ATOM 152 CA ASN A 9 -9.298 8.059 -11.672 1.00 64.52 C ATOM 153 C ASN A 9 -8.982 9.388 -12.351 1.00 72.11 C ATOM 154 O ASN A 9 -9.799 9.924 -13.101 1.00 13.12 O ATOM 155 CB ASN A 9 -9.751 8.304 -10.232 1.00 20.44 C ATOM 156 CG ASN A 9 -9.699 7.045 -9.387 1.00 4.20 C ATOM 157 OD1 ASN A 9 -9.975 5.947 -9.871 1.00 10.50 O ATOM 158 ND2 ASN A 9 -9.343 7.200 -8.117 1.00 20.41 N ATOM 0 H ASN A 9 -7.612 7.146 -10.820 1.00 53.21 H new ATOM 0 HA ASN A 9 -10.104 7.573 -12.221 1.00 64.52 H new ATOM 0 HB2 ASN A 9 -9.118 9.068 -9.780 1.00 20.44 H new ATOM 0 HB3 ASN A 9 -10.769 8.694 -10.236 1.00 20.44 H new ATOM 0 HD21 ASN A 9 -9.290 6.390 -7.500 1.00 20.41 H new ATOM 0 HD22 ASN A 9 -9.123 8.129 -7.759 1.00 20.41 H new ATOM 165 N LEU A 10 -7.792 9.914 -12.084 1.00 13.51 N ATOM 166 CA LEU A 10 -7.367 11.181 -12.669 1.00 53.42 C ATOM 167 C LEU A 10 -7.403 11.116 -14.193 1.00 3.43 C ATOM 168 O LEU A 10 -7.632 12.123 -14.863 1.00 50.40 O ATOM 169 CB LEU A 10 -5.957 11.537 -12.195 1.00 52.32 C ATOM 170 CG LEU A 10 -5.422 12.898 -12.644 1.00 23.54 C ATOM 171 CD1 LEU A 10 -6.514 13.953 -12.568 1.00 73.41 C ATOM 172 CD2 LEU A 10 -4.225 13.305 -11.797 1.00 1.14 C ATOM 0 H LEU A 10 -7.104 9.483 -11.466 1.00 13.51 H new ATOM 0 HA LEU A 10 -8.060 11.956 -12.340 1.00 53.42 H new ATOM 0 HB2 LEU A 10 -5.942 11.505 -11.106 1.00 52.32 H new ATOM 0 HB3 LEU A 10 -5.272 10.766 -12.546 1.00 52.32 H new ATOM 0 HG LEU A 10 -5.098 12.815 -13.681 1.00 23.54 H new ATOM 0 HD11 LEU A 10 -6.114 14.914 -12.891 1.00 73.41 H new ATOM 0 HD12 LEU A 10 -7.342 13.667 -13.217 1.00 73.41 H new ATOM 0 HD13 LEU A 10 -6.870 14.035 -11.541 1.00 73.41 H new ATOM 0 HD21 LEU A 10 -3.857 14.275 -12.130 1.00 1.14 H new ATOM 0 HD22 LEU A 10 -4.525 13.370 -10.751 1.00 1.14 H new ATOM 0 HD23 LEU A 10 -3.435 12.562 -11.903 1.00 1.14 H new ATOM 184 N LYS A 11 -7.176 9.924 -14.734 1.00 53.43 N ATOM 185 CA LYS A 11 -7.185 9.725 -16.179 1.00 14.43 C ATOM 186 C LYS A 11 -8.571 9.308 -16.662 1.00 2.33 C ATOM 187 O LYS A 11 -8.927 9.531 -17.818 1.00 72.32 O ATOM 188 CB LYS A 11 -6.155 8.666 -16.575 1.00 30.52 C ATOM 189 CG LYS A 11 -5.128 9.161 -17.578 1.00 71.35 C ATOM 190 CD LYS A 11 -4.546 10.502 -17.165 1.00 60.00 C ATOM 191 CE LYS A 11 -3.927 10.437 -15.777 1.00 14.10 C ATOM 192 NZ LYS A 11 -3.557 11.788 -15.271 1.00 64.23 N ATOM 0 H LYS A 11 -6.983 9.081 -14.194 1.00 53.43 H new ATOM 0 HA LYS A 11 -6.924 10.671 -16.653 1.00 14.43 H new ATOM 0 HB2 LYS A 11 -5.639 8.321 -15.679 1.00 30.52 H new ATOM 0 HB3 LYS A 11 -6.675 7.805 -16.995 1.00 30.52 H new ATOM 0 HG2 LYS A 11 -4.326 8.428 -17.671 1.00 71.35 H new ATOM 0 HG3 LYS A 11 -5.592 9.252 -18.560 1.00 71.35 H new ATOM 0 HD2 LYS A 11 -3.790 10.810 -17.888 1.00 60.00 H new ATOM 0 HD3 LYS A 11 -5.329 11.260 -17.180 1.00 60.00 H new ATOM 0 HE2 LYS A 11 -4.630 9.971 -15.087 1.00 14.10 H new ATOM 0 HE3 LYS A 11 -3.040 9.804 -15.804 1.00 14.10 H new ATOM 0 HZ1 LYS A 11 -3.529 11.774 -14.231 1.00 64.23 H new ATOM 0 HZ2 LYS A 11 -2.621 12.052 -15.639 1.00 64.23 H new ATOM 0 HZ3 LYS A 11 -4.262 12.483 -15.589 1.00 64.23 H new ATOM 206 N GLU A 12 -9.347 8.704 -15.768 1.00 33.03 N ATOM 207 CA GLU A 12 -10.694 8.257 -16.104 1.00 42.03 C ATOM 208 C GLU A 12 -11.475 9.364 -16.806 1.00 41.14 C ATOM 209 O GLU A 12 -12.388 9.096 -17.588 1.00 11.44 O ATOM 210 CB GLU A 12 -11.438 7.814 -14.843 1.00 72.42 C ATOM 211 CG GLU A 12 -12.208 8.934 -14.165 1.00 2.41 C ATOM 212 CD GLU A 12 -13.648 9.019 -14.632 1.00 1.20 C ATOM 213 OE1 GLU A 12 -14.005 8.297 -15.586 1.00 61.23 O ATOM 214 OE2 GLU A 12 -14.418 9.807 -14.044 1.00 44.31 O ATOM 0 H GLU A 12 -9.067 8.513 -14.806 1.00 33.03 H new ATOM 0 HA GLU A 12 -10.609 7.409 -16.783 1.00 42.03 H new ATOM 0 HB2 GLU A 12 -12.131 7.014 -15.103 1.00 72.42 H new ATOM 0 HB3 GLU A 12 -10.721 7.398 -14.136 1.00 72.42 H new ATOM 0 HG2 GLU A 12 -12.189 8.782 -13.086 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -11.710 9.883 -14.362 1.00 2.41 H new ATOM 221 N LYS A 13 -11.110 10.610 -16.522 1.00 64.50 N ATOM 222 CA LYS A 13 -11.774 11.759 -17.125 1.00 62.12 C ATOM 223 C LYS A 13 -11.235 12.024 -18.527 1.00 54.44 C ATOM 224 O LYS A 13 -11.988 12.385 -19.433 1.00 61.11 O ATOM 225 CB LYS A 13 -11.584 13.001 -16.251 1.00 23.51 C ATOM 226 CG LYS A 13 -10.136 13.444 -16.131 1.00 30.03 C ATOM 227 CD LYS A 13 -9.864 14.103 -14.789 1.00 53.40 C ATOM 228 CE LYS A 13 -8.952 15.312 -14.936 1.00 73.33 C ATOM 229 NZ LYS A 13 -9.639 16.575 -14.550 1.00 0.33 N ATOM 0 H LYS A 13 -10.357 10.849 -15.877 1.00 64.50 H new ATOM 0 HA LYS A 13 -12.838 11.534 -17.200 1.00 62.12 H new ATOM 0 HB2 LYS A 13 -12.173 13.820 -16.665 1.00 23.51 H new ATOM 0 HB3 LYS A 13 -11.977 12.798 -15.255 1.00 23.51 H new ATOM 0 HG2 LYS A 13 -9.480 12.583 -16.254 1.00 30.03 H new ATOM 0 HG3 LYS A 13 -9.900 14.142 -16.935 1.00 30.03 H new ATOM 0 HD2 LYS A 13 -10.806 14.410 -14.336 1.00 53.40 H new ATOM 0 HD3 LYS A 13 -9.406 13.380 -14.114 1.00 53.40 H new ATOM 0 HE2 LYS A 13 -8.066 15.176 -14.316 1.00 73.33 H new ATOM 0 HE3 LYS A 13 -8.610 15.386 -15.968 1.00 73.33 H new ATOM 0 HZ1 LYS A 13 -8.984 17.375 -14.664 1.00 0.33 H new ATOM 0 HZ2 LYS A 13 -10.470 16.718 -15.159 1.00 0.33 H new ATOM 0 HZ3 LYS A 13 -9.943 16.515 -13.557 1.00 0.33 H new ATOM 243 N ILE A 14 -9.931 11.843 -18.700 1.00 25.45 N ATOM 244 CA ILE A 14 -9.293 12.060 -19.992 1.00 54.23 C ATOM 245 C ILE A 14 -9.961 11.227 -21.081 1.00 51.43 C ATOM 246 O ILE A 14 -10.250 11.727 -22.168 1.00 65.43 O ATOM 247 CB ILE A 14 -7.793 11.716 -19.946 1.00 30.44 C ATOM 248 CG1 ILE A 14 -6.998 12.883 -19.357 1.00 65.31 C ATOM 249 CG2 ILE A 14 -7.285 11.370 -21.337 1.00 74.15 C ATOM 250 CD1 ILE A 14 -7.294 13.141 -17.896 1.00 72.45 C ATOM 0 H ILE A 14 -9.294 11.546 -17.960 1.00 25.45 H new ATOM 0 HA ILE A 14 -9.406 13.119 -20.225 1.00 54.23 H new ATOM 0 HB ILE A 14 -7.655 10.846 -19.304 1.00 30.44 H new ATOM 0 HG12 ILE A 14 -5.933 12.682 -19.473 1.00 65.31 H new ATOM 0 HG13 ILE A 14 -7.216 13.785 -19.928 1.00 65.31 H new ATOM 0 HG21 ILE A 14 -6.223 11.129 -21.287 1.00 74.15 H new ATOM 0 HG22 ILE A 14 -7.834 10.511 -21.722 1.00 74.15 H new ATOM 0 HG23 ILE A 14 -7.433 12.222 -22.001 1.00 74.15 H new ATOM 0 HD11 ILE A 14 -6.695 13.982 -17.546 1.00 72.45 H new ATOM 0 HD12 ILE A 14 -8.352 13.374 -17.775 1.00 72.45 H new ATOM 0 HD13 ILE A 14 -7.049 12.253 -17.313 1.00 72.45 H new ATOM 262 N GLU A 15 -10.205 9.956 -20.780 1.00 72.34 N ATOM 263 CA GLU A 15 -10.840 9.054 -21.734 1.00 53.02 C ATOM 264 C GLU A 15 -12.076 9.700 -22.354 1.00 34.05 C ATOM 265 O GLU A 15 -12.555 9.270 -23.403 1.00 23.14 O ATOM 266 CB GLU A 15 -11.226 7.741 -21.050 1.00 13.24 C ATOM 267 CG GLU A 15 -12.532 7.819 -20.277 1.00 73.40 C ATOM 268 CD GLU A 15 -12.610 6.798 -19.158 1.00 43.11 C ATOM 269 OE1 GLU A 15 -11.634 6.039 -18.980 1.00 2.34 O ATOM 270 OE2 GLU A 15 -13.645 6.758 -18.462 1.00 32.24 O ATOM 0 H GLU A 15 -9.973 9.528 -19.884 1.00 72.34 H new ATOM 0 HA GLU A 15 -10.124 8.844 -22.528 1.00 53.02 H new ATOM 0 HB2 GLU A 15 -11.306 6.958 -21.804 1.00 13.24 H new ATOM 0 HB3 GLU A 15 -10.427 7.447 -20.369 1.00 13.24 H new ATOM 0 HG2 GLU A 15 -12.643 8.820 -19.859 1.00 73.40 H new ATOM 0 HG3 GLU A 15 -13.365 7.665 -20.963 1.00 73.40 H new ATOM 277 N ALA A 16 -12.588 10.735 -21.696 1.00 34.15 N ATOM 278 CA ALA A 16 -13.767 11.441 -22.181 1.00 52.42 C ATOM 279 C ALA A 16 -13.507 12.941 -22.279 1.00 71.21 C ATOM 280 O ALA A 16 -14.252 13.668 -22.935 1.00 2.45 O ATOM 281 CB ALA A 16 -14.957 11.168 -21.273 1.00 54.54 C ATOM 0 H ALA A 16 -12.204 11.103 -20.825 1.00 34.15 H new ATOM 0 HA ALA A 16 -13.995 11.072 -23.181 1.00 52.42 H new ATOM 0 HB1 ALA A 16 -15.830 11.702 -21.648 1.00 54.54 H new ATOM 0 HB2 ALA A 16 -15.165 10.098 -21.257 1.00 54.54 H new ATOM 0 HB3 ALA A 16 -14.729 11.508 -20.263 1.00 54.54 H new ATOM 287 N GLY A 17 -12.445 13.397 -21.622 1.00 20.11 N ATOM 288 CA GLY A 17 -12.106 14.808 -21.647 1.00 74.24 C ATOM 289 C GLY A 17 -11.377 15.206 -22.915 1.00 52.21 C ATOM 290 O GLY A 17 -11.944 15.156 -24.007 1.00 0.31 O ATOM 0 H GLY A 17 -11.813 12.814 -21.073 1.00 20.11 H new ATOM 0 HA2 GLY A 17 -13.017 15.399 -21.554 1.00 74.24 H new ATOM 0 HA3 GLY A 17 -11.483 15.044 -20.784 1.00 74.24 H new ATOM 294 N ARG A 18 -10.117 15.604 -22.771 1.00 55.41 N ATOM 295 CA ARG A 18 -9.311 16.016 -23.914 1.00 1.03 C ATOM 296 C ARG A 18 -7.849 15.627 -23.715 1.00 42.33 C ATOM 297 O ARG A 18 -6.966 16.110 -24.423 1.00 60.23 O ATOM 298 CB ARG A 18 -9.424 17.527 -24.127 1.00 23.31 C ATOM 299 CG ARG A 18 -9.095 18.343 -22.888 1.00 21.14 C ATOM 300 CD ARG A 18 -8.018 19.378 -23.172 1.00 12.41 C ATOM 301 NE ARG A 18 -7.189 19.642 -21.999 1.00 13.41 N ATOM 302 CZ ARG A 18 -6.154 20.475 -22.003 1.00 31.12 C ATOM 303 NH1 ARG A 18 -5.823 21.121 -23.112 1.00 51.12 N ATOM 304 NH2 ARG A 18 -5.448 20.663 -20.895 1.00 70.42 N ATOM 0 H ARG A 18 -9.633 15.650 -21.875 1.00 55.41 H new ATOM 0 HA ARG A 18 -9.689 15.503 -24.798 1.00 1.03 H new ATOM 0 HB2 ARG A 18 -8.754 17.823 -24.935 1.00 23.31 H new ATOM 0 HB3 ARG A 18 -10.437 17.765 -24.450 1.00 23.31 H new ATOM 0 HG2 ARG A 18 -9.995 18.842 -22.530 1.00 21.14 H new ATOM 0 HG3 ARG A 18 -8.761 17.678 -22.091 1.00 21.14 H new ATOM 0 HD2 ARG A 18 -7.388 19.030 -23.990 1.00 12.41 H new ATOM 0 HD3 ARG A 18 -8.485 20.306 -23.502 1.00 12.41 H new ATOM 0 HE ARG A 18 -7.417 19.161 -21.129 1.00 13.41 H new ATOM 0 HH11 ARG A 18 -6.363 20.979 -23.965 1.00 51.12 H new ATOM 0 HH12 ARG A 18 -5.028 21.760 -23.112 1.00 51.12 H new ATOM 0 HH21 ARG A 18 -5.700 20.168 -20.040 1.00 70.42 H new ATOM 0 HH22 ARG A 18 -4.654 21.303 -20.899 1.00 70.42 H new ATOM 318 N GLY A 19 -7.601 14.751 -22.746 1.00 43.41 N ATOM 319 CA GLY A 19 -6.245 14.313 -22.471 1.00 43.34 C ATOM 320 C GLY A 19 -5.295 15.473 -22.246 1.00 51.15 C ATOM 321 O GLY A 19 -5.690 16.635 -22.340 1.00 42.53 O ATOM 0 H GLY A 19 -8.315 14.337 -22.147 1.00 43.41 H new ATOM 0 HA2 GLY A 19 -6.245 13.672 -21.590 1.00 43.34 H new ATOM 0 HA3 GLY A 19 -5.885 13.709 -23.304 1.00 43.34 H new ATOM 325 N VAL A 20 -4.039 15.158 -21.947 1.00 21.01 N ATOM 326 CA VAL A 20 -3.030 16.183 -21.707 1.00 60.21 C ATOM 327 C VAL A 20 -2.403 16.653 -23.015 1.00 25.15 C ATOM 328 O VAL A 20 -2.521 17.814 -23.407 1.00 30.13 O ATOM 329 CB VAL A 20 -1.919 15.669 -20.773 1.00 24.52 C ATOM 330 CG1 VAL A 20 -0.612 16.399 -21.044 1.00 72.23 C ATOM 331 CG2 VAL A 20 -2.333 15.823 -19.317 1.00 41.23 C ATOM 0 H VAL A 20 -3.696 14.201 -21.865 1.00 21.01 H new ATOM 0 HA VAL A 20 -3.537 17.021 -21.229 1.00 60.21 H new ATOM 0 HB VAL A 20 -1.763 14.609 -20.973 1.00 24.52 H new ATOM 0 HG11 VAL A 20 0.161 16.022 -20.374 1.00 72.23 H new ATOM 0 HG12 VAL A 20 -0.309 16.232 -22.078 1.00 72.23 H new ATOM 0 HG13 VAL A 20 -0.750 17.467 -20.874 1.00 72.23 H new ATOM 0 HG21 VAL A 20 -1.536 15.455 -18.671 1.00 41.23 H new ATOM 0 HG22 VAL A 20 -2.518 16.875 -19.101 1.00 41.23 H new ATOM 0 HG23 VAL A 20 -3.242 15.250 -19.135 1.00 41.23 H new ATOM 341 N PRO A 21 -1.718 15.731 -23.708 1.00 33.44 N ATOM 342 CA PRO A 21 -1.059 16.027 -24.983 1.00 21.11 C ATOM 343 C PRO A 21 -2.058 16.274 -26.108 1.00 62.44 C ATOM 344 O PRO A 21 -1.954 17.258 -26.838 1.00 42.42 O ATOM 345 CB PRO A 21 -0.241 14.763 -25.261 1.00 40.43 C ATOM 346 CG PRO A 21 -0.954 13.681 -24.526 1.00 42.15 C ATOM 347 CD PRO A 21 -1.536 14.327 -23.300 1.00 11.40 C ATOM 0 HA PRO A 21 -0.460 16.936 -24.931 1.00 21.11 H new ATOM 0 HB2 PRO A 21 -0.192 14.550 -26.329 1.00 40.43 H new ATOM 0 HB3 PRO A 21 0.785 14.870 -24.910 1.00 40.43 H new ATOM 0 HG2 PRO A 21 -1.737 13.240 -25.143 1.00 42.15 H new ATOM 0 HG3 PRO A 21 -0.270 12.877 -24.256 1.00 42.15 H new ATOM 0 HD2 PRO A 21 -2.481 13.866 -23.013 1.00 11.40 H new ATOM 0 HD3 PRO A 21 -0.867 14.241 -22.444 1.00 11.40 H new ATOM 355 N ASN A 22 -3.026 15.373 -26.243 1.00 24.45 N ATOM 356 CA ASN A 22 -4.044 15.493 -27.280 1.00 4.01 C ATOM 357 C ASN A 22 -3.498 16.239 -28.494 1.00 2.03 C ATOM 358 O ASN A 22 -3.617 17.460 -28.591 1.00 30.45 O ATOM 359 CB ASN A 22 -5.275 16.218 -26.733 1.00 72.22 C ATOM 360 CG ASN A 22 -4.909 17.381 -25.832 1.00 22.24 C ATOM 361 OD1 ASN A 22 -4.658 17.202 -24.640 1.00 24.42 O ATOM 362 ND2 ASN A 22 -4.877 18.581 -26.398 1.00 52.43 N ATOM 0 H ASN A 22 -3.127 14.552 -25.647 1.00 24.45 H new ATOM 0 HA ASN A 22 -4.331 14.489 -27.592 1.00 4.01 H new ATOM 0 HB2 ASN A 22 -5.878 16.582 -27.565 1.00 72.22 H new ATOM 0 HB3 ASN A 22 -5.892 15.512 -26.177 1.00 72.22 H new ATOM 0 HD21 ASN A 22 -4.637 19.401 -25.841 1.00 52.43 H new ATOM 0 HD22 ASN A 22 -5.092 18.683 -27.390 1.00 52.43 H new ATOM 369 N GLY A 23 -2.898 15.495 -29.419 1.00 15.24 N ATOM 370 CA GLY A 23 -2.344 16.103 -30.614 1.00 63.31 C ATOM 371 C GLY A 23 -1.213 15.286 -31.208 1.00 1.41 C ATOM 372 O GLY A 23 -0.808 15.513 -32.349 1.00 21.34 O ATOM 0 H GLY A 23 -2.786 14.483 -29.362 1.00 15.24 H new ATOM 0 HA2 GLY A 23 -3.133 16.221 -31.357 1.00 63.31 H new ATOM 0 HA3 GLY A 23 -1.980 17.102 -30.375 1.00 63.31 H new ATOM 376 N ILE A 24 -0.701 14.336 -30.433 1.00 41.20 N ATOM 377 CA ILE A 24 0.390 13.485 -30.889 1.00 64.54 C ATOM 378 C ILE A 24 -0.130 12.133 -31.367 1.00 22.14 C ATOM 379 O ILE A 24 -1.265 11.744 -31.091 1.00 52.43 O ATOM 380 CB ILE A 24 1.431 13.258 -29.777 1.00 32.23 C ATOM 381 CG1 ILE A 24 0.757 13.294 -28.403 1.00 70.24 C ATOM 382 CG2 ILE A 24 2.532 14.304 -29.860 1.00 10.20 C ATOM 383 CD1 ILE A 24 1.658 12.841 -27.276 1.00 61.32 C ATOM 0 H ILE A 24 -1.024 14.137 -29.486 1.00 41.20 H new ATOM 0 HA ILE A 24 0.867 14.003 -31.721 1.00 64.54 H new ATOM 0 HB ILE A 24 1.880 12.275 -29.915 1.00 32.23 H new ATOM 0 HG12 ILE A 24 0.418 14.310 -28.200 1.00 70.24 H new ATOM 0 HG13 ILE A 24 -0.130 12.660 -28.426 1.00 70.24 H new ATOM 0 HG21 ILE A 24 3.260 14.130 -29.067 1.00 10.20 H new ATOM 0 HG22 ILE A 24 3.027 14.235 -30.829 1.00 10.20 H new ATOM 0 HG23 ILE A 24 2.099 15.298 -29.743 1.00 10.20 H new ATOM 0 HD11 ILE A 24 1.115 12.893 -26.333 1.00 61.32 H new ATOM 0 HD12 ILE A 24 1.977 11.814 -27.455 1.00 61.32 H new ATOM 0 HD13 ILE A 24 2.533 13.489 -27.227 1.00 61.32 H new ATOM 395 N PRO A 25 0.720 11.397 -32.098 1.00 72.32 N ATOM 396 CA PRO A 25 0.369 10.075 -32.627 1.00 51.44 C ATOM 397 C PRO A 25 0.250 9.024 -31.529 1.00 55.22 C ATOM 398 O PRO A 25 0.366 7.827 -31.788 1.00 74.31 O ATOM 399 CB PRO A 25 1.537 9.745 -33.559 1.00 63.23 C ATOM 400 CG PRO A 25 2.682 10.535 -33.026 1.00 63.03 C ATOM 401 CD PRO A 25 2.089 11.797 -32.465 1.00 14.22 C ATOM 0 HA PRO A 25 -0.602 10.079 -33.123 1.00 51.44 H new ATOM 0 HB2 PRO A 25 1.757 8.677 -33.555 1.00 63.23 H new ATOM 0 HB3 PRO A 25 1.311 10.020 -34.589 1.00 63.23 H new ATOM 0 HG2 PRO A 25 3.215 9.978 -32.255 1.00 63.03 H new ATOM 0 HG3 PRO A 25 3.402 10.759 -33.813 1.00 63.03 H new ATOM 0 HD2 PRO A 25 2.649 12.154 -31.601 1.00 14.22 H new ATOM 0 HD3 PRO A 25 2.089 12.602 -33.200 1.00 14.22 H new ATOM 409 N ALA A 26 0.017 9.480 -30.303 1.00 13.12 N ATOM 410 CA ALA A 26 -0.121 8.578 -29.166 1.00 1.31 C ATOM 411 C ALA A 26 -1.258 7.586 -29.387 1.00 4.03 C ATOM 412 O ALA A 26 -1.269 6.502 -28.804 1.00 42.31 O ATOM 413 CB ALA A 26 -0.351 9.371 -27.888 1.00 2.40 C ATOM 0 H ALA A 26 -0.080 10.469 -30.071 1.00 13.12 H new ATOM 0 HA ALA A 26 0.806 8.013 -29.068 1.00 1.31 H new ATOM 0 HB1 ALA A 26 -0.452 8.685 -27.047 1.00 2.40 H new ATOM 0 HB2 ALA A 26 0.496 10.035 -27.714 1.00 2.40 H new ATOM 0 HB3 ALA A 26 -1.262 9.962 -27.986 1.00 2.40 H new ATOM 419 N GLU A 27 -2.212 7.965 -30.231 1.00 71.30 N ATOM 420 CA GLU A 27 -3.354 7.107 -30.526 1.00 41.35 C ATOM 421 C GLU A 27 -2.894 5.722 -30.969 1.00 65.45 C ATOM 422 O GLU A 27 -3.471 4.708 -30.575 1.00 52.33 O ATOM 423 CB GLU A 27 -4.226 7.739 -31.614 1.00 33.35 C ATOM 424 CG GLU A 27 -3.431 8.457 -32.691 1.00 14.11 C ATOM 425 CD GLU A 27 -3.988 8.221 -34.082 1.00 22.04 C ATOM 426 OE1 GLU A 27 -4.374 7.071 -34.378 1.00 33.12 O ATOM 427 OE2 GLU A 27 -4.037 9.185 -34.873 1.00 44.24 O ATOM 0 H GLU A 27 -2.217 8.859 -30.722 1.00 71.30 H new ATOM 0 HA GLU A 27 -3.942 7.001 -29.614 1.00 41.35 H new ATOM 0 HB2 GLU A 27 -4.832 6.962 -32.079 1.00 33.35 H new ATOM 0 HB3 GLU A 27 -4.915 8.446 -31.151 1.00 33.35 H new ATOM 0 HG2 GLU A 27 -3.427 9.527 -32.482 1.00 14.11 H new ATOM 0 HG3 GLU A 27 -2.394 8.121 -32.657 1.00 14.11 H new ATOM 434 N ASP A 28 -1.851 5.686 -31.792 1.00 4.14 N ATOM 435 CA ASP A 28 -1.311 4.426 -32.289 1.00 34.44 C ATOM 436 C ASP A 28 -0.761 3.581 -31.144 1.00 35.33 C ATOM 437 O ASP A 28 -0.809 2.351 -31.188 1.00 12.44 O ATOM 438 CB ASP A 28 -0.212 4.688 -33.319 1.00 72.43 C ATOM 439 CG ASP A 28 -0.563 5.819 -34.265 1.00 52.22 C ATOM 440 OD1 ASP A 28 -1.765 6.004 -34.550 1.00 34.15 O ATOM 441 OD2 ASP A 28 0.364 6.521 -34.720 1.00 70.44 O ATOM 0 H ASP A 28 -1.363 6.516 -32.129 1.00 4.14 H new ATOM 0 HA ASP A 28 -2.122 3.875 -32.766 1.00 34.44 H new ATOM 0 HB2 ASP A 28 0.717 4.926 -32.802 1.00 72.43 H new ATOM 0 HB3 ASP A 28 -0.033 3.780 -33.894 1.00 72.43 H new ATOM 446 N SER A 29 -0.239 4.248 -30.120 1.00 44.53 N ATOM 447 CA SER A 29 0.325 3.559 -28.966 1.00 2.03 C ATOM 448 C SER A 29 -0.778 3.069 -28.033 1.00 55.31 C ATOM 449 O SER A 29 -0.707 1.965 -27.496 1.00 65.52 O ATOM 450 CB SER A 29 1.276 4.486 -28.206 1.00 65.31 C ATOM 451 OG SER A 29 1.823 5.471 -29.066 1.00 23.24 O ATOM 0 H SER A 29 -0.195 5.266 -30.066 1.00 44.53 H new ATOM 0 HA SER A 29 0.882 2.695 -29.327 1.00 2.03 H new ATOM 0 HB2 SER A 29 0.742 4.969 -27.388 1.00 65.31 H new ATOM 0 HB3 SER A 29 2.080 3.901 -27.760 1.00 65.31 H new ATOM 0 HG SER A 29 2.426 6.052 -28.556 1.00 23.24 H new ATOM 457 N GLU A 30 -1.799 3.901 -27.846 1.00 62.20 N ATOM 458 CA GLU A 30 -2.917 3.553 -26.978 1.00 14.13 C ATOM 459 C GLU A 30 -3.595 2.270 -27.451 1.00 1.14 C ATOM 460 O GLU A 30 -4.188 1.541 -26.656 1.00 65.42 O ATOM 461 CB GLU A 30 -3.935 4.695 -26.937 1.00 41.25 C ATOM 462 CG GLU A 30 -3.897 5.499 -25.648 1.00 74.43 C ATOM 463 CD GLU A 30 -2.670 6.383 -25.548 1.00 10.41 C ATOM 464 OE1 GLU A 30 -2.692 7.495 -26.118 1.00 33.44 O ATOM 465 OE2 GLU A 30 -1.688 5.965 -24.900 1.00 42.13 O ATOM 0 H GLU A 30 -1.874 4.819 -28.284 1.00 62.20 H new ATOM 0 HA GLU A 30 -2.526 3.388 -25.974 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -3.752 5.364 -27.778 1.00 41.25 H new ATOM 0 HB3 GLU A 30 -4.936 4.283 -27.069 1.00 41.25 H new ATOM 0 HG2 GLU A 30 -4.792 6.118 -25.584 1.00 74.43 H new ATOM 0 HG3 GLU A 30 -3.919 4.817 -24.798 1.00 74.43 H new ATOM 472 N GLN A 31 -3.502 2.003 -28.749 1.00 54.24 N ATOM 473 CA GLN A 31 -4.107 0.810 -29.328 1.00 74.44 C ATOM 474 C GLN A 31 -3.705 -0.438 -28.548 1.00 52.42 C ATOM 475 O GLN A 31 -4.539 -1.297 -28.258 1.00 2.34 O ATOM 476 CB GLN A 31 -3.696 0.663 -30.794 1.00 43.43 C ATOM 477 CG GLN A 31 -3.882 -0.743 -31.341 1.00 41.22 C ATOM 478 CD GLN A 31 -4.371 -0.751 -32.776 1.00 41.11 C ATOM 479 OE1 GLN A 31 -3.595 -0.967 -33.707 1.00 43.44 O ATOM 480 NE2 GLN A 31 -5.664 -0.515 -32.962 1.00 74.44 N ATOM 0 H GLN A 31 -3.014 2.596 -29.420 1.00 54.24 H new ATOM 0 HA GLN A 31 -5.190 0.919 -29.271 1.00 74.44 H new ATOM 0 HB2 GLN A 31 -4.279 1.359 -31.397 1.00 43.43 H new ATOM 0 HB3 GLN A 31 -2.650 0.949 -30.900 1.00 43.43 H new ATOM 0 HG2 GLN A 31 -2.936 -1.280 -31.281 1.00 41.22 H new ATOM 0 HG3 GLN A 31 -4.594 -1.281 -30.715 1.00 41.22 H new ATOM 0 HE21 GLN A 31 -6.271 -0.341 -32.161 1.00 74.44 H new ATOM 0 HE22 GLN A 31 -6.050 -0.508 -33.906 1.00 74.44 H new ATOM 489 N LEU A 32 -2.423 -0.531 -28.212 1.00 75.30 N ATOM 490 CA LEU A 32 -1.910 -1.674 -27.465 1.00 61.42 C ATOM 491 C LEU A 32 -2.009 -1.432 -25.962 1.00 41.05 C ATOM 492 O LEU A 32 -2.247 -2.359 -25.189 1.00 11.33 O ATOM 493 CB LEU A 32 -0.457 -1.951 -27.854 1.00 23.40 C ATOM 494 CG LEU A 32 -0.237 -2.561 -29.239 1.00 20.31 C ATOM 495 CD1 LEU A 32 0.209 -1.495 -30.227 1.00 54.22 C ATOM 496 CD2 LEU A 32 0.784 -3.687 -29.170 1.00 25.21 C ATOM 0 H LEU A 32 -1.720 0.171 -28.445 1.00 75.30 H new ATOM 0 HA LEU A 32 -2.519 -2.543 -27.715 1.00 61.42 H new ATOM 0 HB2 LEU A 32 0.098 -1.014 -27.799 1.00 23.40 H new ATOM 0 HB3 LEU A 32 -0.024 -2.621 -27.111 1.00 23.40 H new ATOM 0 HG LEU A 32 -1.183 -2.976 -29.586 1.00 20.31 H new ATOM 0 HD11 LEU A 32 0.361 -1.948 -31.207 1.00 54.22 H new ATOM 0 HD12 LEU A 32 -0.556 -0.722 -30.299 1.00 54.22 H new ATOM 0 HD13 LEU A 32 1.143 -1.050 -29.885 1.00 54.22 H new ATOM 0 HD21 LEU A 32 0.928 -4.109 -30.165 1.00 25.21 H new ATOM 0 HD22 LEU A 32 1.732 -3.296 -28.801 1.00 25.21 H new ATOM 0 HD23 LEU A 32 0.424 -4.463 -28.495 1.00 25.21 H new ATOM 508 N ALA A 33 -1.826 -0.180 -25.557 1.00 54.51 N ATOM 509 CA ALA A 33 -1.899 0.186 -24.148 1.00 34.42 C ATOM 510 C ALA A 33 -3.260 -0.170 -23.559 1.00 13.45 C ATOM 511 O ALA A 33 -3.351 -0.662 -22.434 1.00 40.00 O ATOM 512 CB ALA A 33 -1.617 1.670 -23.972 1.00 11.30 C ATOM 0 H ALA A 33 -1.626 0.598 -26.185 1.00 54.51 H new ATOM 0 HA ALA A 33 -1.140 -0.382 -23.611 1.00 34.42 H new ATOM 0 HB1 ALA A 33 -1.675 1.929 -22.915 1.00 11.30 H new ATOM 0 HB2 ALA A 33 -0.619 1.898 -24.347 1.00 11.30 H new ATOM 0 HB3 ALA A 33 -2.354 2.249 -24.528 1.00 11.30 H new ATOM 518 N SER A 34 -4.316 0.084 -24.325 1.00 13.22 N ATOM 519 CA SER A 34 -5.673 -0.205 -23.876 1.00 54.32 C ATOM 520 C SER A 34 -5.818 -1.675 -23.495 1.00 51.02 C ATOM 521 O SER A 34 -6.436 -2.008 -22.485 1.00 25.14 O ATOM 522 CB SER A 34 -6.682 0.152 -24.970 1.00 64.01 C ATOM 523 OG SER A 34 -6.149 -0.105 -26.258 1.00 1.50 O ATOM 0 H SER A 34 -4.258 0.489 -25.259 1.00 13.22 H new ATOM 0 HA SER A 34 -5.874 0.403 -22.994 1.00 54.32 H new ATOM 0 HB2 SER A 34 -7.596 -0.425 -24.829 1.00 64.01 H new ATOM 0 HB3 SER A 34 -6.954 1.204 -24.889 1.00 64.01 H new ATOM 0 HG SER A 34 -5.698 0.698 -26.591 1.00 1.50 H new ATOM 529 N GLY A 35 -5.243 -2.551 -24.313 1.00 73.44 N ATOM 530 CA GLY A 35 -5.319 -3.976 -24.046 1.00 52.25 C ATOM 531 C GLY A 35 -4.550 -4.374 -22.802 1.00 73.34 C ATOM 532 O GLY A 35 -4.926 -5.320 -22.110 1.00 63.02 O ATOM 0 H GLY A 35 -4.726 -2.300 -25.156 1.00 73.44 H new ATOM 0 HA2 GLY A 35 -6.364 -4.266 -23.932 1.00 52.25 H new ATOM 0 HA3 GLY A 35 -4.927 -4.525 -24.903 1.00 52.25 H new ATOM 536 N GLN A 36 -3.471 -3.653 -22.519 1.00 42.53 N ATOM 537 CA GLN A 36 -2.646 -3.938 -21.351 1.00 72.42 C ATOM 538 C GLN A 36 -3.378 -3.571 -20.065 1.00 34.12 C ATOM 539 O GLN A 36 -3.046 -4.065 -18.988 1.00 62.31 O ATOM 540 CB GLN A 36 -1.324 -3.174 -21.435 1.00 64.41 C ATOM 541 CG GLN A 36 -0.402 -3.673 -22.536 1.00 63.12 C ATOM 542 CD GLN A 36 0.764 -2.738 -22.789 1.00 65.10 C ATOM 543 OE1 GLN A 36 0.630 -1.518 -22.689 1.00 21.24 O ATOM 544 NE2 GLN A 36 1.918 -3.306 -23.119 1.00 64.32 N ATOM 0 H GLN A 36 -3.147 -2.867 -23.082 1.00 42.53 H new ATOM 0 HA GLN A 36 -2.439 -5.008 -21.337 1.00 72.42 H new ATOM 0 HB2 GLN A 36 -1.534 -2.117 -21.600 1.00 64.41 H new ATOM 0 HB3 GLN A 36 -0.808 -3.251 -20.478 1.00 64.41 H new ATOM 0 HG2 GLN A 36 -0.021 -4.658 -22.267 1.00 63.12 H new ATOM 0 HG3 GLN A 36 -0.973 -3.793 -23.457 1.00 63.12 H new ATOM 0 HE21 GLN A 36 1.985 -4.321 -23.191 1.00 64.32 H new ATOM 0 HE22 GLN A 36 2.738 -2.727 -23.301 1.00 64.32 H new ATOM 553 N GLU A 37 -4.376 -2.701 -20.185 1.00 52.13 N ATOM 554 CA GLU A 37 -5.154 -2.267 -19.031 1.00 32.12 C ATOM 555 C GLU A 37 -5.841 -3.454 -18.361 1.00 14.41 C ATOM 556 O GLU A 37 -6.265 -3.369 -17.209 1.00 30.44 O ATOM 557 CB GLU A 37 -6.198 -1.230 -19.452 1.00 22.34 C ATOM 558 CG GLU A 37 -5.637 -0.124 -20.329 1.00 51.12 C ATOM 559 CD GLU A 37 -6.680 0.913 -20.698 1.00 51.04 C ATOM 560 OE1 GLU A 37 -7.865 0.710 -20.361 1.00 70.31 O ATOM 561 OE2 GLU A 37 -6.311 1.928 -21.325 1.00 4.31 O ATOM 0 H GLU A 37 -4.665 -2.283 -21.070 1.00 52.13 H new ATOM 0 HA GLU A 37 -4.470 -1.813 -18.314 1.00 32.12 H new ATOM 0 HB2 GLU A 37 -7.003 -1.734 -19.987 1.00 22.34 H new ATOM 0 HB3 GLU A 37 -6.638 -0.786 -18.559 1.00 22.34 H new ATOM 0 HG2 GLU A 37 -4.813 0.364 -19.809 1.00 51.12 H new ATOM 0 HG3 GLU A 37 -5.226 -0.560 -21.239 1.00 51.12 H new ATOM 568 N ALA A 38 -5.948 -4.558 -19.092 1.00 73.13 N ATOM 569 CA ALA A 38 -6.582 -5.762 -18.570 1.00 32.04 C ATOM 570 C ALA A 38 -5.940 -6.195 -17.256 1.00 1.51 C ATOM 571 O ALA A 38 -6.510 -6.985 -16.505 1.00 53.13 O ATOM 572 CB ALA A 38 -6.505 -6.886 -19.592 1.00 42.14 C ATOM 0 H ALA A 38 -5.604 -4.644 -20.048 1.00 73.13 H new ATOM 0 HA ALA A 38 -7.630 -5.535 -18.375 1.00 32.04 H new ATOM 0 HB1 ALA A 38 -6.983 -7.779 -19.188 1.00 42.14 H new ATOM 0 HB2 ALA A 38 -7.016 -6.583 -20.506 1.00 42.14 H new ATOM 0 HB3 ALA A 38 -5.461 -7.103 -19.816 1.00 42.14 H new ATOM 578 N GLY A 39 -4.748 -5.671 -16.985 1.00 30.15 N ATOM 579 CA GLY A 39 -4.048 -6.016 -15.761 1.00 44.12 C ATOM 580 C GLY A 39 -4.994 -6.294 -14.610 1.00 62.31 C ATOM 581 O GLY A 39 -5.600 -5.375 -14.060 1.00 11.21 O ATOM 0 H GLY A 39 -4.255 -5.015 -17.590 1.00 30.15 H new ATOM 0 HA2 GLY A 39 -3.427 -6.894 -15.937 1.00 44.12 H new ATOM 0 HA3 GLY A 39 -3.378 -5.201 -15.488 1.00 44.12 H new ATOM 585 N ASP A 40 -5.122 -7.565 -14.246 1.00 71.31 N ATOM 586 CA ASP A 40 -6.002 -7.963 -13.153 1.00 51.42 C ATOM 587 C ASP A 40 -5.648 -7.215 -11.871 1.00 61.33 C ATOM 588 O ASP A 40 -6.506 -6.637 -11.203 1.00 64.43 O ATOM 589 CB ASP A 40 -5.912 -9.472 -12.920 1.00 41.51 C ATOM 590 CG ASP A 40 -7.250 -10.164 -13.089 1.00 63.40 C ATOM 591 OD1 ASP A 40 -7.788 -10.149 -14.216 1.00 32.01 O ATOM 592 OD2 ASP A 40 -7.758 -10.723 -12.095 1.00 2.14 O ATOM 0 H ASP A 40 -4.628 -8.338 -14.692 1.00 71.31 H new ATOM 0 HA ASP A 40 -7.024 -7.707 -13.431 1.00 51.42 H new ATOM 0 HB2 ASP A 40 -5.193 -9.902 -13.617 1.00 41.51 H new ATOM 0 HB3 ASP A 40 -5.533 -9.660 -11.915 1.00 41.51 H new ATOM 597 N PRO A 41 -4.354 -7.227 -11.518 1.00 11.35 N ATOM 598 CA PRO A 41 -3.857 -6.555 -10.313 1.00 61.21 C ATOM 599 C PRO A 41 -3.912 -5.036 -10.432 1.00 12.13 C ATOM 600 O PRO A 41 -4.170 -4.497 -11.507 1.00 1.51 O ATOM 601 CB PRO A 41 -2.405 -7.031 -10.215 1.00 74.31 C ATOM 602 CG PRO A 41 -2.025 -7.378 -11.613 1.00 73.12 C ATOM 603 CD PRO A 41 -3.277 -7.896 -12.266 1.00 50.44 C ATOM 0 HA PRO A 41 -4.459 -6.793 -9.436 1.00 61.21 H new ATOM 0 HB2 PRO A 41 -1.759 -6.251 -9.811 1.00 74.31 H new ATOM 0 HB3 PRO A 41 -2.315 -7.893 -9.555 1.00 74.31 H new ATOM 0 HG2 PRO A 41 -1.642 -6.505 -12.141 1.00 73.12 H new ATOM 0 HG3 PRO A 41 -1.237 -8.131 -11.628 1.00 73.12 H new ATOM 0 HD2 PRO A 41 -3.310 -7.647 -13.327 1.00 50.44 H new ATOM 0 HD3 PRO A 41 -3.350 -8.981 -12.191 1.00 50.44 H new ATOM 611 N GLY A 42 -3.668 -4.351 -9.319 1.00 10.52 N ATOM 612 CA GLY A 42 -3.695 -2.900 -9.320 1.00 42.52 C ATOM 613 C GLY A 42 -2.379 -2.296 -9.769 1.00 41.15 C ATOM 614 O GLY A 42 -2.325 -1.129 -10.159 1.00 5.31 O ATOM 0 H GLY A 42 -3.452 -4.775 -8.417 1.00 10.52 H new ATOM 0 HA2 GLY A 42 -4.493 -2.555 -9.978 1.00 42.52 H new ATOM 0 HA3 GLY A 42 -3.932 -2.543 -8.318 1.00 42.52 H new ATOM 618 N CYS A 43 -1.316 -3.091 -9.714 1.00 40.42 N ATOM 619 CA CYS A 43 0.007 -2.627 -10.117 1.00 2.25 C ATOM 620 C CYS A 43 0.012 -2.202 -11.581 1.00 63.03 C ATOM 621 O CYS A 43 0.913 -1.491 -12.030 1.00 32.23 O ATOM 622 CB CYS A 43 1.047 -3.725 -9.888 1.00 13.03 C ATOM 623 SG CYS A 43 0.925 -5.109 -11.044 1.00 72.34 S ATOM 0 H CYS A 43 -1.344 -4.059 -9.395 1.00 40.42 H new ATOM 0 HA CYS A 43 0.263 -1.761 -9.506 1.00 2.25 H new ATOM 0 HB2 CYS A 43 2.043 -3.289 -9.964 1.00 13.03 H new ATOM 0 HB3 CYS A 43 0.942 -4.104 -8.871 1.00 13.03 H new ATOM 0 HG CYS A 43 1.847 -5.984 -10.772 1.00 72.34 H new ATOM 629 N LEU A 44 -0.998 -2.643 -12.323 1.00 65.12 N ATOM 630 CA LEU A 44 -1.109 -2.310 -13.739 1.00 73.21 C ATOM 631 C LEU A 44 -1.869 -1.002 -13.933 1.00 12.25 C ATOM 632 O LEU A 44 -1.785 -0.372 -14.987 1.00 61.11 O ATOM 633 CB LEU A 44 -1.813 -3.439 -14.495 1.00 14.44 C ATOM 634 CG LEU A 44 -0.903 -4.450 -15.192 1.00 2.20 C ATOM 635 CD1 LEU A 44 -1.055 -5.827 -14.565 1.00 13.11 C ATOM 636 CD2 LEU A 44 -1.208 -4.503 -16.682 1.00 22.52 C ATOM 0 H LEU A 44 -1.751 -3.232 -11.968 1.00 65.12 H new ATOM 0 HA LEU A 44 -0.102 -2.186 -14.138 1.00 73.21 H new ATOM 0 HB2 LEU A 44 -2.450 -3.977 -13.793 1.00 14.44 H new ATOM 0 HB3 LEU A 44 -2.469 -2.994 -15.244 1.00 14.44 H new ATOM 0 HG LEU A 44 0.131 -4.128 -15.064 1.00 2.20 H new ATOM 0 HD11 LEU A 44 -0.399 -6.533 -15.075 1.00 13.11 H new ATOM 0 HD12 LEU A 44 -0.786 -5.778 -13.510 1.00 13.11 H new ATOM 0 HD13 LEU A 44 -2.089 -6.158 -14.661 1.00 13.11 H new ATOM 0 HD21 LEU A 44 -0.551 -5.228 -17.162 1.00 22.52 H new ATOM 0 HD22 LEU A 44 -2.246 -4.800 -16.831 1.00 22.52 H new ATOM 0 HD23 LEU A 44 -1.046 -3.519 -17.122 1.00 22.52 H new ATOM 648 N LYS A 45 -2.610 -0.597 -12.907 1.00 1.35 N ATOM 649 CA LYS A 45 -3.383 0.639 -12.961 1.00 25.33 C ATOM 650 C LYS A 45 -2.478 1.834 -13.240 1.00 42.52 C ATOM 651 O LYS A 45 -2.774 2.685 -14.080 1.00 34.14 O ATOM 652 CB LYS A 45 -4.135 0.852 -11.645 1.00 73.44 C ATOM 653 CG LYS A 45 -5.613 1.151 -11.832 1.00 23.23 C ATOM 654 CD LYS A 45 -6.464 -0.089 -11.618 1.00 31.40 C ATOM 655 CE LYS A 45 -6.559 -0.926 -12.885 1.00 3.31 C ATOM 656 NZ LYS A 45 -7.139 -2.271 -12.619 1.00 64.43 N ATOM 0 H LYS A 45 -2.692 -1.107 -12.027 1.00 1.35 H new ATOM 0 HA LYS A 45 -4.103 0.553 -13.774 1.00 25.33 H new ATOM 0 HB2 LYS A 45 -4.028 -0.039 -11.027 1.00 73.44 H new ATOM 0 HB3 LYS A 45 -3.672 1.675 -11.101 1.00 73.44 H new ATOM 0 HG2 LYS A 45 -5.919 1.929 -11.132 1.00 23.23 H new ATOM 0 HG3 LYS A 45 -5.782 1.541 -12.836 1.00 23.23 H new ATOM 0 HD2 LYS A 45 -6.038 -0.690 -10.815 1.00 31.40 H new ATOM 0 HD3 LYS A 45 -7.464 0.205 -11.299 1.00 31.40 H new ATOM 0 HE2 LYS A 45 -7.173 -0.405 -13.619 1.00 3.31 H new ATOM 0 HE3 LYS A 45 -5.566 -1.038 -13.321 1.00 3.31 H new ATOM 0 HZ1 LYS A 45 -7.187 -2.810 -13.507 1.00 64.43 H new ATOM 0 HZ2 LYS A 45 -6.540 -2.779 -11.937 1.00 64.43 H new ATOM 0 HZ3 LYS A 45 -8.096 -2.165 -12.226 1.00 64.43 H new ATOM 670 N PRO A 46 -1.347 1.903 -12.522 1.00 62.55 N ATOM 671 CA PRO A 46 -0.375 2.989 -12.678 1.00 21.04 C ATOM 672 C PRO A 46 0.360 2.923 -14.012 1.00 1.10 C ATOM 673 O PRO A 46 0.856 3.935 -14.510 1.00 22.33 O ATOM 674 CB PRO A 46 0.599 2.762 -11.519 1.00 21.32 C ATOM 675 CG PRO A 46 0.496 1.306 -11.217 1.00 43.44 C ATOM 676 CD PRO A 46 -0.929 0.924 -11.505 1.00 33.34 C ATOM 0 HA PRO A 46 -0.853 3.968 -12.666 1.00 21.04 H new ATOM 0 HB2 PRO A 46 1.616 3.038 -11.797 1.00 21.32 H new ATOM 0 HB3 PRO A 46 0.331 3.366 -10.652 1.00 21.32 H new ATOM 0 HG2 PRO A 46 1.187 0.730 -11.833 1.00 43.44 H new ATOM 0 HG3 PRO A 46 0.752 1.104 -10.177 1.00 43.44 H new ATOM 0 HD2 PRO A 46 -1.004 -0.098 -11.877 1.00 33.34 H new ATOM 0 HD3 PRO A 46 -1.549 0.984 -10.611 1.00 33.34 H new ATOM 684 N LEU A 47 0.426 1.728 -14.587 1.00 64.51 N ATOM 685 CA LEU A 47 1.101 1.530 -15.865 1.00 71.25 C ATOM 686 C LEU A 47 0.148 1.784 -17.029 1.00 72.20 C ATOM 687 O LEU A 47 0.574 2.147 -18.126 1.00 75.52 O ATOM 688 CB LEU A 47 1.664 0.110 -15.953 1.00 41.31 C ATOM 689 CG LEU A 47 3.187 -0.013 -15.885 1.00 73.15 C ATOM 690 CD1 LEU A 47 3.832 0.691 -17.069 1.00 23.12 C ATOM 691 CD2 LEU A 47 3.710 0.555 -14.574 1.00 60.13 C ATOM 0 H LEU A 47 0.020 0.881 -14.189 1.00 64.51 H new ATOM 0 HA LEU A 47 1.922 2.244 -15.928 1.00 71.25 H new ATOM 0 HB2 LEU A 47 1.235 -0.480 -15.143 1.00 41.31 H new ATOM 0 HB3 LEU A 47 1.325 -0.337 -16.888 1.00 41.31 H new ATOM 0 HG LEU A 47 3.450 -1.070 -15.930 1.00 73.15 H new ATOM 0 HD11 LEU A 47 4.916 0.593 -17.004 1.00 23.12 H new ATOM 0 HD12 LEU A 47 3.482 0.238 -17.997 1.00 23.12 H new ATOM 0 HD13 LEU A 47 3.562 1.747 -17.056 1.00 23.12 H new ATOM 0 HD21 LEU A 47 4.795 0.459 -14.543 1.00 60.13 H new ATOM 0 HD22 LEU A 47 3.437 1.607 -14.499 1.00 60.13 H new ATOM 0 HD23 LEU A 47 3.273 0.006 -13.740 1.00 60.13 H new ATOM 703 N HIS A 48 -1.144 1.593 -16.782 1.00 32.24 N ATOM 704 CA HIS A 48 -2.159 1.804 -17.808 1.00 44.02 C ATOM 705 C HIS A 48 -2.581 3.269 -17.861 1.00 13.00 C ATOM 706 O HIS A 48 -2.765 3.833 -18.939 1.00 64.33 O ATOM 707 CB HIS A 48 -3.376 0.919 -17.541 1.00 75.03 C ATOM 708 CG HIS A 48 -4.647 1.689 -17.353 1.00 50.33 C ATOM 709 ND1 HIS A 48 -5.433 2.333 -18.248 1.00 71.14 N flip ATOM 710 CD2 HIS A 48 -5.245 1.866 -16.123 1.00 21.20 C flip ATOM 711 CE1 HIS A 48 -6.481 2.880 -17.550 1.00 42.00 C flip ATOM 712 NE2 HIS A 48 -6.345 2.583 -16.270 1.00 33.31 N flip ATOM 0 H HIS A 48 -1.513 1.292 -15.880 1.00 32.24 H new ATOM 0 HA HIS A 48 -1.728 1.534 -18.772 1.00 44.02 H new ATOM 0 HB2 HIS A 48 -3.500 0.226 -18.373 1.00 75.03 H new ATOM 0 HB3 HIS A 48 -3.190 0.318 -16.651 1.00 75.03 H new ATOM 0 HD2 HIS A 48 -4.872 1.479 -15.186 1.00 21.20 H new ATOM 0 HE1 HIS A 48 -7.286 3.459 -17.978 1.00 42.00 H new ATOM 0 HE2 HIS A 48 -6.981 2.860 -15.522 1.00 33.31 H new ATOM 720 N GLU A 49 -2.735 3.878 -16.689 1.00 42.45 N ATOM 721 CA GLU A 49 -3.138 5.277 -16.604 1.00 4.23 C ATOM 722 C GLU A 49 -2.185 6.167 -17.397 1.00 1.33 C ATOM 723 O GLU A 49 -2.598 7.161 -17.995 1.00 0.02 O ATOM 724 CB GLU A 49 -3.179 5.730 -15.143 1.00 15.31 C ATOM 725 CG GLU A 49 -1.902 5.432 -14.376 1.00 72.41 C ATOM 726 CD GLU A 49 -0.953 6.614 -14.341 1.00 20.42 C ATOM 727 OE1 GLU A 49 -0.928 7.385 -15.323 1.00 24.53 O ATOM 728 OE2 GLU A 49 -0.235 6.767 -13.330 1.00 54.41 O ATOM 0 H GLU A 49 -2.587 3.425 -15.787 1.00 42.45 H new ATOM 0 HA GLU A 49 -4.135 5.368 -17.034 1.00 4.23 H new ATOM 0 HB2 GLU A 49 -3.371 6.802 -15.109 1.00 15.31 H new ATOM 0 HB3 GLU A 49 -4.015 5.241 -14.643 1.00 15.31 H new ATOM 0 HG2 GLU A 49 -2.154 5.143 -13.356 1.00 72.41 H new ATOM 0 HG3 GLU A 49 -1.399 4.580 -14.833 1.00 72.41 H new ATOM 735 N LYS A 50 -0.907 5.804 -17.396 1.00 61.23 N ATOM 736 CA LYS A 50 0.106 6.567 -18.115 1.00 43.12 C ATOM 737 C LYS A 50 -0.285 6.747 -19.579 1.00 3.35 C ATOM 738 O LYS A 50 -0.137 7.832 -20.141 1.00 45.23 O ATOM 739 CB LYS A 50 1.464 5.867 -18.022 1.00 32.35 C ATOM 740 CG LYS A 50 2.296 5.981 -19.287 1.00 52.11 C ATOM 741 CD LYS A 50 2.652 7.427 -19.591 1.00 61.55 C ATOM 742 CE LYS A 50 3.997 7.807 -18.991 1.00 53.42 C ATOM 743 NZ LYS A 50 5.077 7.824 -20.016 1.00 60.31 N ATOM 0 H LYS A 50 -0.548 4.985 -16.905 1.00 61.23 H new ATOM 0 HA LYS A 50 0.179 7.551 -17.652 1.00 43.12 H new ATOM 0 HB2 LYS A 50 2.025 6.291 -17.189 1.00 32.35 H new ATOM 0 HB3 LYS A 50 1.305 4.813 -17.796 1.00 32.35 H new ATOM 0 HG2 LYS A 50 3.209 5.396 -19.177 1.00 52.11 H new ATOM 0 HG3 LYS A 50 1.744 5.557 -20.126 1.00 52.11 H new ATOM 0 HD2 LYS A 50 2.678 7.577 -20.670 1.00 61.55 H new ATOM 0 HD3 LYS A 50 1.877 8.084 -19.196 1.00 61.55 H new ATOM 0 HE2 LYS A 50 3.922 8.790 -18.526 1.00 53.42 H new ATOM 0 HE3 LYS A 50 4.256 7.100 -18.203 1.00 53.42 H new ATOM 0 HZ1 LYS A 50 5.977 8.087 -19.567 1.00 60.31 H new ATOM 0 HZ2 LYS A 50 5.166 6.880 -20.442 1.00 60.31 H new ATOM 0 HZ3 LYS A 50 4.843 8.517 -20.755 1.00 60.31 H new ATOM 757 N ASP A 51 -0.785 5.679 -20.188 1.00 74.42 N ATOM 758 CA ASP A 51 -1.200 5.720 -21.586 1.00 33.34 C ATOM 759 C ASP A 51 -2.559 6.398 -21.729 1.00 72.12 C ATOM 760 O ASP A 51 -2.931 6.842 -22.816 1.00 21.25 O ATOM 761 CB ASP A 51 -1.259 4.305 -22.164 1.00 43.24 C ATOM 762 CG ASP A 51 -0.234 3.380 -21.538 1.00 1.45 C ATOM 763 OD1 ASP A 51 0.911 3.339 -22.035 1.00 60.41 O ATOM 764 OD2 ASP A 51 -0.576 2.699 -20.549 1.00 15.12 O ATOM 0 H ASP A 51 -0.913 4.773 -19.736 1.00 74.42 H new ATOM 0 HA ASP A 51 -0.464 6.301 -22.142 1.00 33.34 H new ATOM 0 HB2 ASP A 51 -2.257 3.894 -22.010 1.00 43.24 H new ATOM 0 HB3 ASP A 51 -1.095 4.348 -23.241 1.00 43.24 H new ATOM 769 N SER A 52 -3.297 6.473 -20.626 1.00 42.30 N ATOM 770 CA SER A 52 -4.617 7.093 -20.630 1.00 21.10 C ATOM 771 C SER A 52 -4.507 8.604 -20.812 1.00 34.33 C ATOM 772 O SER A 52 -5.324 9.217 -21.498 1.00 0.32 O ATOM 773 CB SER A 52 -5.356 6.777 -19.328 1.00 61.42 C ATOM 774 OG SER A 52 -5.942 5.487 -19.375 1.00 4.13 O ATOM 0 H SER A 52 -3.003 6.112 -19.718 1.00 42.30 H new ATOM 0 HA SER A 52 -5.181 6.684 -21.468 1.00 21.10 H new ATOM 0 HB2 SER A 52 -4.662 6.835 -18.489 1.00 61.42 H new ATOM 0 HB3 SER A 52 -6.129 7.525 -19.154 1.00 61.42 H new ATOM 0 HG SER A 52 -6.524 5.363 -18.596 1.00 4.13 H new ATOM 780 N GLU A 53 -3.492 9.196 -20.191 1.00 43.02 N ATOM 781 CA GLU A 53 -3.276 10.635 -20.284 1.00 4.13 C ATOM 782 C GLU A 53 -3.126 11.071 -21.739 1.00 31.54 C ATOM 783 O GLU A 53 -3.623 12.124 -22.137 1.00 1.14 O ATOM 784 CB GLU A 53 -2.032 11.039 -19.489 1.00 21.42 C ATOM 785 CG GLU A 53 -2.141 12.409 -18.841 1.00 73.15 C ATOM 786 CD GLU A 53 -1.280 12.538 -17.600 1.00 51.12 C ATOM 787 OE1 GLU A 53 -1.270 11.592 -16.785 1.00 12.24 O ATOM 788 OE2 GLU A 53 -0.617 13.584 -17.444 1.00 4.31 O ATOM 0 H GLU A 53 -2.807 8.702 -19.619 1.00 43.02 H new ATOM 0 HA GLU A 53 -4.148 11.135 -19.861 1.00 4.13 H new ATOM 0 HB2 GLU A 53 -1.848 10.294 -18.715 1.00 21.42 H new ATOM 0 HB3 GLU A 53 -1.168 11.028 -20.153 1.00 21.42 H new ATOM 0 HG2 GLU A 53 -1.849 13.172 -19.562 1.00 73.15 H new ATOM 0 HG3 GLU A 53 -3.181 12.601 -18.578 1.00 73.15 H new ATOM 795 N SER A 54 -2.437 10.252 -22.527 1.00 73.23 N ATOM 796 CA SER A 54 -2.218 10.553 -23.937 1.00 41.50 C ATOM 797 C SER A 54 -3.396 10.082 -24.783 1.00 75.23 C ATOM 798 O SER A 54 -3.693 10.656 -25.830 1.00 43.12 O ATOM 799 CB SER A 54 -0.927 9.894 -24.427 1.00 34.33 C ATOM 800 OG SER A 54 -0.049 9.628 -23.347 1.00 31.31 O ATOM 0 H SER A 54 -2.021 9.375 -22.213 1.00 73.23 H new ATOM 0 HA SER A 54 -2.128 11.634 -24.042 1.00 41.50 H new ATOM 0 HB2 SER A 54 -1.163 8.965 -24.945 1.00 34.33 H new ATOM 0 HB3 SER A 54 -0.434 10.545 -25.149 1.00 34.33 H new ATOM 0 HG SER A 54 0.768 9.205 -23.686 1.00 31.31 H new ATOM 806 N GLY A 55 -4.066 9.030 -24.321 1.00 0.22 N ATOM 807 CA GLY A 55 -5.204 8.498 -25.046 1.00 74.24 C ATOM 808 C GLY A 55 -6.312 9.519 -25.218 1.00 22.35 C ATOM 809 O GLY A 55 -7.215 9.334 -26.032 1.00 51.40 O ATOM 0 H GLY A 55 -3.840 8.537 -23.457 1.00 0.22 H new ATOM 0 HA2 GLY A 55 -4.877 8.153 -26.027 1.00 74.24 H new ATOM 0 HA3 GLY A 55 -5.594 7.629 -24.516 1.00 74.24 H new ATOM 813 N GLY A 56 -6.243 10.599 -24.446 1.00 12.24 N ATOM 814 CA GLY A 56 -7.255 11.636 -24.530 1.00 2.34 C ATOM 815 C GLY A 56 -7.411 12.182 -25.935 1.00 64.33 C ATOM 816 O GLY A 56 -8.523 12.460 -26.381 1.00 0.31 O ATOM 0 H GLY A 56 -5.505 10.774 -23.764 1.00 12.24 H new ATOM 0 HA2 GLY A 56 -8.210 11.235 -24.191 1.00 2.34 H new ATOM 0 HA3 GLY A 56 -6.993 12.450 -23.854 1.00 2.34 H new ATOM 820 N GLY A 57 -6.291 12.336 -26.636 1.00 52.51 N ATOM 821 CA GLY A 57 -6.330 12.854 -27.991 1.00 70.55 C ATOM 822 C GLY A 57 -7.218 12.029 -28.902 1.00 32.55 C ATOM 823 O GLY A 57 -7.970 12.574 -29.710 1.00 2.12 O ATOM 0 H GLY A 57 -5.358 12.111 -26.290 1.00 52.51 H new ATOM 0 HA2 GLY A 57 -6.689 13.883 -27.973 1.00 70.55 H new ATOM 0 HA3 GLY A 57 -5.319 12.876 -28.397 1.00 70.55 H new ATOM 827 N LYS A 58 -7.132 10.709 -28.772 1.00 63.14 N ATOM 828 CA LYS A 58 -7.933 9.806 -29.590 1.00 31.44 C ATOM 829 C LYS A 58 -9.320 9.612 -28.986 1.00 34.02 C ATOM 830 O LYS A 58 -10.278 9.299 -29.694 1.00 3.20 O ATOM 831 CB LYS A 58 -7.232 8.452 -29.728 1.00 1.33 C ATOM 832 CG LYS A 58 -7.481 7.772 -31.062 1.00 71.44 C ATOM 833 CD LYS A 58 -7.225 6.276 -30.982 1.00 71.00 C ATOM 834 CE LYS A 58 -8.444 5.529 -30.464 1.00 33.24 C ATOM 835 NZ LYS A 58 -8.215 4.058 -30.417 1.00 12.22 N ATOM 0 H LYS A 58 -6.515 10.241 -28.108 1.00 63.14 H new ATOM 0 HA LYS A 58 -8.044 10.253 -30.578 1.00 31.44 H new ATOM 0 HB2 LYS A 58 -6.159 8.593 -29.596 1.00 1.33 H new ATOM 0 HB3 LYS A 58 -7.568 7.795 -28.926 1.00 1.33 H new ATOM 0 HG2 LYS A 58 -8.510 7.950 -31.376 1.00 71.44 H new ATOM 0 HG3 LYS A 58 -6.836 8.212 -31.822 1.00 71.44 H new ATOM 0 HD2 LYS A 58 -6.958 5.898 -31.969 1.00 71.00 H new ATOM 0 HD3 LYS A 58 -6.375 6.086 -30.327 1.00 71.00 H new ATOM 0 HE2 LYS A 58 -8.694 5.890 -29.466 1.00 33.24 H new ATOM 0 HE3 LYS A 58 -9.300 5.743 -31.104 1.00 33.24 H new ATOM 0 HZ1 LYS A 58 -9.069 3.585 -30.059 1.00 12.22 H new ATOM 0 HZ2 LYS A 58 -8.001 3.709 -31.373 1.00 12.22 H new ATOM 0 HZ3 LYS A 58 -7.414 3.851 -29.786 1.00 12.22 H new ATOM 849 N ASP A 59 -9.422 9.801 -27.675 1.00 3.21 N ATOM 850 CA ASP A 59 -10.693 9.650 -26.976 1.00 61.25 C ATOM 851 C ASP A 59 -11.602 10.846 -27.238 1.00 54.30 C ATOM 852 O ASP A 59 -12.820 10.703 -27.338 1.00 12.13 O ATOM 853 CB ASP A 59 -10.458 9.491 -25.474 1.00 3.15 C ATOM 854 CG ASP A 59 -10.649 8.062 -25.005 1.00 71.03 C ATOM 855 OD1 ASP A 59 -11.724 7.487 -25.279 1.00 24.45 O ATOM 856 OD2 ASP A 59 -9.724 7.518 -24.366 1.00 52.55 O ATOM 0 H ASP A 59 -8.639 10.059 -27.074 1.00 3.21 H new ATOM 0 HA ASP A 59 -11.184 8.754 -27.355 1.00 61.25 H new ATOM 0 HB2 ASP A 59 -9.447 9.818 -25.231 1.00 3.15 H new ATOM 0 HB3 ASP A 59 -11.143 10.143 -24.931 1.00 3.15 H new ATOM 861 N GLY A 60 -11.002 12.028 -27.347 1.00 64.51 N ATOM 862 CA GLY A 60 -11.773 13.232 -27.595 1.00 24.23 C ATOM 863 C GLY A 60 -11.952 13.511 -29.074 1.00 13.44 C ATOM 864 O GLY A 60 -11.447 14.508 -29.590 1.00 4.05 O ATOM 0 H GLY A 60 -9.995 12.173 -27.268 1.00 64.51 H new ATOM 0 HA2 GLY A 60 -12.752 13.136 -27.125 1.00 24.23 H new ATOM 0 HA3 GLY A 60 -11.276 14.081 -27.126 1.00 24.23 H new TER 868 GLY A 60