USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 5 TYR OH : rot 84:sc= -0.261 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.412 X(o=0.15,f=-0.015) USER MOD Single : A 1 VAL N :NH3+ 138:sc= -0.356 (180deg=-0.544) USER MOD Single : A 8 LYS NZ :NH3+ 150:sc= 0.383 (180deg=-0.183) USER MOD Single : A 11 ASN : amide:sc= -1.86 K(o=-1.9,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0583 USER MOD Single : A 20 GLN : amide:sc= -0.249 K(o=-0.25,f=-2.7!) USER MOD Single : A 23 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -81:sc= 0.84 USER MOD Single : A 29 ASN : amide:sc= 0.601 K(o=0.6,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -67:sc= 0.57 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.54 K(o=-0.54,f=-1.1) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0124) USER MOD Single : A 64 GLN : amide:sc= -0.0222 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA VAL A 1 2.094 -0.002 -1.242 1.00 12.15 C ATOM 3 C VAL A 1 2.613 1.393 -1.569 1.00 41.52 C ATOM 4 O VAL A 1 2.061 2.395 -1.114 1.00 11.20 O ATOM 5 CB VAL A 1 1.246 -0.513 -2.422 1.00 2.42 C ATOM 6 CG1 VAL A 1 0.974 -2.002 -2.278 1.00 74.25 C ATOM 7 CG2 VAL A 1 -0.055 0.269 -2.520 1.00 72.11 C ATOM 0 H1 VAL A 1 0.480 -0.590 -0.114 1.00 3.00 H new ATOM 0 H2 VAL A 1 1.915 -0.382 0.769 1.00 3.00 H new ATOM 0 H3 VAL A 1 1.045 0.973 0.231 1.00 3.00 H new ATOM 0 HA VAL A 1 2.939 -0.675 -1.093 1.00 12.15 H new ATOM 0 HB VAL A 1 1.806 -0.358 -3.344 1.00 2.42 H new ATOM 0 HG11 VAL A 1 0.374 -2.345 -3.121 1.00 74.25 H new ATOM 0 HG12 VAL A 1 1.919 -2.545 -2.261 1.00 74.25 H new ATOM 0 HG13 VAL A 1 0.434 -2.185 -1.349 1.00 74.25 H new ATOM 0 HG21 VAL A 1 -0.642 -0.105 -3.359 1.00 72.11 H new ATOM 0 HG22 VAL A 1 -0.623 0.148 -1.597 1.00 72.11 H new ATOM 0 HG23 VAL A 1 0.166 1.325 -2.674 1.00 72.11 H new ATOM 17 N ARG A 2 3.678 1.451 -2.362 1.00 50.43 N ATOM 18 CA ARG A 2 4.273 2.724 -2.751 1.00 11.41 C ATOM 19 C ARG A 2 5.000 2.599 -4.086 1.00 43.54 C ATOM 20 O ARG A 2 5.536 1.541 -4.416 1.00 54.03 O ATOM 21 CB ARG A 2 5.244 3.208 -1.672 1.00 51.33 C ATOM 22 CG ARG A 2 6.508 2.371 -1.571 1.00 62.30 C ATOM 23 CD ARG A 2 6.251 1.059 -0.846 1.00 73.25 C ATOM 24 NE ARG A 2 7.491 0.413 -0.426 1.00 3.22 N ATOM 25 CZ ARG A 2 7.535 -0.635 0.389 1.00 73.11 C ATOM 26 NH1 ARG A 2 6.412 -1.154 0.868 1.00 43.42 N ATOM 27 NH2 ARG A 2 8.703 -1.167 0.726 1.00 74.22 N ATOM 0 H ARG A 2 4.147 0.631 -2.748 1.00 50.43 H new ATOM 0 HA ARG A 2 3.470 3.453 -2.861 1.00 11.41 H new ATOM 0 HB2 ARG A 2 5.519 4.242 -1.880 1.00 51.33 H new ATOM 0 HB3 ARG A 2 4.736 3.201 -0.708 1.00 51.33 H new ATOM 0 HG2 ARG A 2 6.891 2.167 -2.571 1.00 62.30 H new ATOM 0 HG3 ARG A 2 7.278 2.935 -1.044 1.00 62.30 H new ATOM 0 HD2 ARG A 2 5.625 1.244 0.027 1.00 73.25 H new ATOM 0 HD3 ARG A 2 5.696 0.387 -1.500 1.00 73.25 H new ATOM 0 HE ARG A 2 8.372 0.787 -0.778 1.00 3.22 H new ATOM 0 HH11 ARG A 2 5.512 -0.748 0.611 1.00 43.42 H new ATOM 0 HH12 ARG A 2 6.448 -1.959 1.494 1.00 43.42 H new ATOM 0 HH21 ARG A 2 9.569 -0.771 0.359 1.00 74.22 H new ATOM 0 HH22 ARG A 2 8.735 -1.972 1.352 1.00 74.22 H new ATOM 41 N ASP A 3 5.015 3.686 -4.850 1.00 51.30 N ATOM 42 CA ASP A 3 5.677 3.699 -6.149 1.00 72.04 C ATOM 43 C ASP A 3 7.188 3.569 -5.991 1.00 4.25 C ATOM 44 O ASP A 3 7.749 3.948 -4.963 1.00 21.14 O ATOM 45 CB ASP A 3 5.339 4.985 -6.905 1.00 5.30 C ATOM 46 CG ASP A 3 3.923 5.458 -6.641 1.00 23.43 C ATOM 47 OD1 ASP A 3 2.978 4.700 -6.947 1.00 2.45 O ATOM 48 OD2 ASP A 3 3.760 6.584 -6.127 1.00 61.12 O ATOM 0 H ASP A 3 4.576 4.570 -4.592 1.00 51.30 H new ATOM 0 HA ASP A 3 5.316 2.845 -6.721 1.00 72.04 H new ATOM 0 HB2 ASP A 3 6.040 5.768 -6.616 1.00 5.30 H new ATOM 0 HB3 ASP A 3 5.470 4.819 -7.974 1.00 5.30 H new ATOM 53 N ALA A 4 7.842 3.030 -7.015 1.00 12.43 N ATOM 54 CA ALA A 4 9.288 2.851 -6.989 1.00 42.51 C ATOM 55 C ALA A 4 9.789 2.242 -8.294 1.00 62.10 C ATOM 56 O ALA A 4 9.018 2.041 -9.233 1.00 3.11 O ATOM 57 CB ALA A 4 9.691 1.980 -5.808 1.00 44.54 C ATOM 0 H ALA A 4 7.393 2.710 -7.873 1.00 12.43 H new ATOM 0 HA ALA A 4 9.749 3.832 -6.876 1.00 42.51 H new ATOM 0 HB1 ALA A 4 10.774 1.855 -5.801 1.00 44.54 H new ATOM 0 HB2 ALA A 4 9.375 2.456 -4.880 1.00 44.54 H new ATOM 0 HB3 ALA A 4 9.213 1.004 -5.896 1.00 44.54 H new ATOM 63 N TYR A 5 11.084 1.950 -8.346 1.00 40.44 N ATOM 64 CA TYR A 5 11.688 1.367 -9.538 1.00 64.40 C ATOM 65 C TYR A 5 11.761 -0.153 -9.423 1.00 42.02 C ATOM 66 O TYR A 5 12.744 -0.702 -8.925 1.00 63.44 O ATOM 67 CB TYR A 5 13.089 1.940 -9.758 1.00 42.22 C ATOM 68 CG TYR A 5 13.142 3.021 -10.814 1.00 52.03 C ATOM 69 CD1 TYR A 5 12.813 2.745 -12.136 1.00 22.31 C ATOM 70 CD2 TYR A 5 13.521 4.318 -10.491 1.00 72.01 C ATOM 71 CE1 TYR A 5 12.860 3.729 -13.104 1.00 64.34 C ATOM 72 CE2 TYR A 5 13.569 5.309 -11.453 1.00 24.43 C ATOM 73 CZ TYR A 5 13.239 5.009 -12.758 1.00 14.02 C ATOM 74 OH TYR A 5 13.287 5.993 -13.719 1.00 21.31 O ATOM 0 H TYR A 5 11.735 2.107 -7.577 1.00 40.44 H new ATOM 0 HA TYR A 5 11.061 1.620 -10.393 1.00 64.40 H new ATOM 0 HB2 TYR A 5 13.459 2.345 -8.816 1.00 42.22 H new ATOM 0 HB3 TYR A 5 13.762 1.132 -10.043 1.00 42.22 H new ATOM 0 HD1 TYR A 5 12.515 1.744 -12.411 1.00 22.31 H new ATOM 0 HD2 TYR A 5 13.783 4.556 -9.471 1.00 72.01 H new ATOM 0 HE1 TYR A 5 12.601 3.497 -14.127 1.00 64.34 H new ATOM 0 HE2 TYR A 5 13.863 6.313 -11.184 1.00 24.43 H new ATOM 0 HH TYR A 5 12.392 6.374 -13.843 1.00 21.31 H new ATOM 84 N ILE A 6 10.714 -0.826 -9.888 1.00 13.41 N ATOM 85 CA ILE A 6 10.659 -2.281 -9.840 1.00 33.35 C ATOM 86 C ILE A 6 11.829 -2.901 -10.596 1.00 33.11 C ATOM 87 O ILE A 6 12.278 -2.368 -11.610 1.00 1.43 O ATOM 88 CB ILE A 6 9.340 -2.815 -10.430 1.00 0.31 C ATOM 89 CG1 ILE A 6 9.352 -4.344 -10.462 1.00 64.45 C ATOM 90 CG2 ILE A 6 9.118 -2.252 -11.826 1.00 5.53 C ATOM 91 CD1 ILE A 6 7.981 -4.956 -10.649 1.00 44.11 C ATOM 0 H ILE A 6 9.892 -0.386 -10.302 1.00 13.41 H new ATOM 0 HA ILE A 6 10.718 -2.564 -8.789 1.00 33.35 H new ATOM 0 HB ILE A 6 8.517 -2.491 -9.793 1.00 0.31 H new ATOM 0 HG12 ILE A 6 10.003 -4.677 -11.270 1.00 64.45 H new ATOM 0 HG13 ILE A 6 9.783 -4.715 -9.532 1.00 64.45 H new ATOM 0 HG21 ILE A 6 8.182 -2.638 -12.230 1.00 5.53 H new ATOM 0 HG22 ILE A 6 9.070 -1.164 -11.776 1.00 5.53 H new ATOM 0 HG23 ILE A 6 9.943 -2.549 -12.474 1.00 5.53 H new ATOM 0 HD11 ILE A 6 8.066 -6.043 -10.662 1.00 44.11 H new ATOM 0 HD12 ILE A 6 7.332 -4.653 -9.827 1.00 44.11 H new ATOM 0 HD13 ILE A 6 7.556 -4.614 -11.593 1.00 44.11 H new ATOM 103 N ALA A 7 12.317 -4.032 -10.097 1.00 35.04 N ATOM 104 CA ALA A 7 13.432 -4.727 -10.727 1.00 73.22 C ATOM 105 C ALA A 7 13.403 -6.217 -10.404 1.00 62.20 C ATOM 106 O ALA A 7 12.519 -6.692 -9.691 1.00 11.22 O ATOM 107 CB ALA A 7 14.753 -4.115 -10.286 1.00 52.41 C ATOM 0 H ALA A 7 11.957 -4.486 -9.258 1.00 35.04 H new ATOM 0 HA ALA A 7 13.335 -4.614 -11.807 1.00 73.22 H new ATOM 0 HB1 ALA A 7 15.577 -4.644 -10.765 1.00 52.41 H new ATOM 0 HB2 ALA A 7 14.781 -3.064 -10.574 1.00 52.41 H new ATOM 0 HB3 ALA A 7 14.849 -4.198 -9.203 1.00 52.41 H new ATOM 113 N LYS A 8 14.376 -6.951 -10.934 1.00 31.44 N ATOM 114 CA LYS A 8 14.464 -8.388 -10.702 1.00 35.25 C ATOM 115 C LYS A 8 15.817 -8.762 -10.106 1.00 44.44 C ATOM 116 O LYS A 8 16.861 -8.241 -10.501 1.00 51.02 O ATOM 117 CB LYS A 8 14.241 -9.151 -12.009 1.00 64.34 C ATOM 118 CG LYS A 8 14.491 -10.645 -11.892 1.00 14.01 C ATOM 119 CD LYS A 8 14.580 -11.305 -13.258 1.00 11.52 C ATOM 120 CE LYS A 8 15.803 -12.202 -13.365 1.00 3.14 C ATOM 121 NZ LYS A 8 15.821 -13.245 -12.302 1.00 13.23 N ATOM 0 H LYS A 8 15.115 -6.574 -11.527 1.00 31.44 H new ATOM 0 HA LYS A 8 13.686 -8.664 -9.990 1.00 35.25 H new ATOM 0 HB2 LYS A 8 13.217 -8.988 -12.345 1.00 64.34 H new ATOM 0 HB3 LYS A 8 14.897 -8.740 -12.776 1.00 64.34 H new ATOM 0 HG2 LYS A 8 15.416 -10.818 -11.343 1.00 14.01 H new ATOM 0 HG3 LYS A 8 13.688 -11.105 -11.316 1.00 14.01 H new ATOM 0 HD2 LYS A 8 13.680 -11.892 -13.439 1.00 11.52 H new ATOM 0 HD3 LYS A 8 14.621 -10.538 -14.032 1.00 11.52 H new ATOM 0 HE2 LYS A 8 15.817 -12.681 -14.344 1.00 3.14 H new ATOM 0 HE3 LYS A 8 16.706 -11.595 -13.294 1.00 3.14 H new ATOM 0 HZ1 LYS A 8 16.309 -14.093 -12.656 1.00 13.23 H new ATOM 0 HZ2 LYS A 8 16.322 -12.881 -11.467 1.00 13.23 H new ATOM 0 HZ3 LYS A 8 14.845 -13.491 -12.040 1.00 13.23 H new ATOM 135 N PRO A 9 15.803 -9.686 -9.135 1.00 31.13 N ATOM 136 CA PRO A 9 17.022 -10.151 -8.466 1.00 71.12 C ATOM 137 C PRO A 9 17.903 -10.990 -9.386 1.00 3.44 C ATOM 138 O PRO A 9 17.433 -11.534 -10.384 1.00 32.03 O ATOM 139 CB PRO A 9 16.490 -11.004 -7.312 1.00 1.24 C ATOM 140 CG PRO A 9 15.147 -11.462 -7.766 1.00 42.40 C ATOM 141 CD PRO A 9 14.596 -10.349 -8.614 1.00 75.11 C ATOM 0 HA PRO A 9 17.653 -9.322 -8.146 1.00 71.12 H new ATOM 0 HB2 PRO A 9 17.148 -11.849 -7.108 1.00 1.24 H new ATOM 0 HB3 PRO A 9 16.420 -10.425 -6.391 1.00 1.24 H new ATOM 0 HG2 PRO A 9 15.223 -12.387 -8.337 1.00 42.40 H new ATOM 0 HG3 PRO A 9 14.496 -11.664 -6.916 1.00 42.40 H new ATOM 0 HD2 PRO A 9 13.968 -10.731 -9.419 1.00 75.11 H new ATOM 0 HD3 PRO A 9 13.982 -9.664 -8.029 1.00 75.11 H new ATOM 149 N GLU A 10 19.184 -11.089 -9.042 1.00 34.14 N ATOM 150 CA GLU A 10 19.707 -10.431 -7.850 1.00 42.35 C ATOM 151 C GLU A 10 20.082 -8.982 -8.150 1.00 65.31 C ATOM 152 O GLU A 10 21.010 -8.716 -8.913 1.00 11.50 O ATOM 153 CB GLU A 10 20.927 -11.186 -7.318 1.00 41.51 C ATOM 154 CG GLU A 10 20.897 -11.409 -5.815 1.00 54.44 C ATOM 155 CD GLU A 10 19.904 -12.479 -5.404 1.00 53.55 C ATOM 156 OE1 GLU A 10 19.509 -13.287 -6.271 1.00 1.34 O ATOM 157 OE2 GLU A 10 19.522 -12.507 -4.216 1.00 33.23 O ATOM 0 H GLU A 10 19.877 -11.618 -9.571 1.00 34.14 H new ATOM 0 HA GLU A 10 18.926 -10.436 -7.090 1.00 42.35 H new ATOM 0 HB2 GLU A 10 20.993 -12.152 -7.819 1.00 41.51 H new ATOM 0 HB3 GLU A 10 21.829 -10.631 -7.577 1.00 41.51 H new ATOM 0 HG2 GLU A 10 21.893 -11.692 -5.473 1.00 54.44 H new ATOM 0 HG3 GLU A 10 20.644 -10.473 -5.317 1.00 54.44 H new ATOM 164 N ASN A 11 19.354 -8.051 -7.544 1.00 12.24 N ATOM 165 CA ASN A 11 19.609 -6.629 -7.746 1.00 33.13 C ATOM 166 C ASN A 11 19.907 -6.333 -9.212 1.00 72.14 C ATOM 167 O ASN A 11 21.036 -6.001 -9.573 1.00 64.21 O ATOM 168 CB ASN A 11 20.779 -6.170 -6.873 1.00 71.52 C ATOM 169 CG ASN A 11 20.649 -4.721 -6.447 1.00 12.01 C ATOM 170 OD1 ASN A 11 19.547 -4.174 -6.396 1.00 1.21 O ATOM 171 ND2 ASN A 11 21.777 -4.092 -6.138 1.00 53.33 N ATOM 0 H ASN A 11 18.582 -8.255 -6.909 1.00 12.24 H new ATOM 0 HA ASN A 11 18.712 -6.080 -7.458 1.00 33.13 H new ATOM 0 HB2 ASN A 11 20.838 -6.802 -5.987 1.00 71.52 H new ATOM 0 HB3 ASN A 11 21.712 -6.302 -7.421 1.00 71.52 H new ATOM 0 HD21 ASN A 11 21.752 -3.116 -5.844 1.00 53.33 H new ATOM 0 HD22 ASN A 11 22.668 -4.585 -6.195 1.00 53.33 H new ATOM 178 N CYS A 12 18.886 -6.455 -10.054 1.00 51.02 N ATOM 179 CA CYS A 12 19.037 -6.201 -11.482 1.00 13.32 C ATOM 180 C CYS A 12 17.871 -5.372 -12.013 1.00 34.01 C ATOM 181 O CYS A 12 16.710 -5.646 -11.707 1.00 0.32 O ATOM 182 CB CYS A 12 19.130 -7.521 -12.249 1.00 73.02 C ATOM 183 SG CYS A 12 20.801 -7.909 -12.862 1.00 11.21 S ATOM 0 H CYS A 12 17.945 -6.728 -9.772 1.00 51.02 H new ATOM 0 HA CYS A 12 19.958 -5.637 -11.630 1.00 13.32 H new ATOM 0 HB2 CYS A 12 18.796 -8.330 -11.600 1.00 73.02 H new ATOM 0 HB3 CYS A 12 18.443 -7.487 -13.095 1.00 73.02 H new ATOM 188 N VAL A 13 18.188 -4.357 -12.811 1.00 31.50 N ATOM 189 CA VAL A 13 17.168 -3.489 -13.386 1.00 75.33 C ATOM 190 C VAL A 13 16.482 -4.158 -14.572 1.00 72.22 C ATOM 191 O VAL A 13 16.947 -5.181 -15.076 1.00 10.02 O ATOM 192 CB VAL A 13 17.767 -2.146 -13.844 1.00 75.23 C ATOM 193 CG1 VAL A 13 18.434 -1.434 -12.678 1.00 44.21 C ATOM 194 CG2 VAL A 13 18.752 -2.363 -14.982 1.00 64.52 C ATOM 0 H VAL A 13 19.144 -4.116 -13.074 1.00 31.50 H new ATOM 0 HA VAL A 13 16.433 -3.302 -12.603 1.00 75.33 H new ATOM 0 HB VAL A 13 16.959 -1.513 -14.210 1.00 75.23 H new ATOM 0 HG11 VAL A 13 18.851 -0.487 -13.021 1.00 44.21 H new ATOM 0 HG12 VAL A 13 17.697 -1.244 -11.898 1.00 44.21 H new ATOM 0 HG13 VAL A 13 19.233 -2.059 -12.279 1.00 44.21 H new ATOM 0 HG21 VAL A 13 19.166 -1.404 -15.293 1.00 64.52 H new ATOM 0 HG22 VAL A 13 19.559 -3.014 -14.646 1.00 64.52 H new ATOM 0 HG23 VAL A 13 18.239 -2.827 -15.824 1.00 64.52 H new ATOM 204 N TYR A 14 15.374 -3.574 -15.014 1.00 52.02 N ATOM 205 CA TYR A 14 14.622 -4.114 -16.141 1.00 31.45 C ATOM 206 C TYR A 14 14.495 -3.082 -17.257 1.00 1.15 C ATOM 207 O TYR A 14 13.633 -2.205 -17.210 1.00 73.41 O ATOM 208 CB TYR A 14 13.232 -4.563 -15.685 1.00 42.30 C ATOM 209 CG TYR A 14 13.032 -6.060 -15.737 1.00 73.55 C ATOM 210 CD1 TYR A 14 13.348 -6.784 -16.881 1.00 55.43 C ATOM 211 CD2 TYR A 14 12.526 -6.752 -14.644 1.00 73.31 C ATOM 212 CE1 TYR A 14 13.165 -8.152 -16.934 1.00 64.02 C ATOM 213 CE2 TYR A 14 12.342 -8.121 -14.688 1.00 13.35 C ATOM 214 CZ TYR A 14 12.663 -8.816 -15.835 1.00 32.03 C ATOM 215 OH TYR A 14 12.480 -10.179 -15.882 1.00 74.04 O ATOM 0 H TYR A 14 14.976 -2.726 -14.609 1.00 52.02 H new ATOM 0 HA TYR A 14 15.166 -4.975 -16.529 1.00 31.45 H new ATOM 0 HB2 TYR A 14 13.064 -4.218 -14.665 1.00 42.30 H new ATOM 0 HB3 TYR A 14 12.481 -4.083 -16.312 1.00 42.30 H new ATOM 0 HD1 TYR A 14 13.743 -6.268 -17.743 1.00 55.43 H new ATOM 0 HD2 TYR A 14 12.272 -6.211 -13.744 1.00 73.31 H new ATOM 0 HE1 TYR A 14 13.414 -8.699 -17.832 1.00 64.02 H new ATOM 0 HE2 TYR A 14 11.949 -8.644 -13.829 1.00 13.35 H new ATOM 0 HH TYR A 14 12.120 -10.490 -15.025 1.00 74.04 H new ATOM 225 N GLU A 15 15.361 -3.194 -18.259 1.00 21.11 N ATOM 226 CA GLU A 15 15.346 -2.270 -19.387 1.00 65.41 C ATOM 227 C GLU A 15 13.998 -2.303 -20.100 1.00 35.42 C ATOM 228 O GLU A 15 13.359 -3.352 -20.196 1.00 51.22 O ATOM 229 CB GLU A 15 16.465 -2.616 -20.372 1.00 72.35 C ATOM 230 CG GLU A 15 16.278 -3.959 -21.059 1.00 13.12 C ATOM 231 CD GLU A 15 17.317 -4.215 -22.133 1.00 53.22 C ATOM 232 OE1 GLU A 15 18.143 -3.313 -22.387 1.00 74.44 O ATOM 233 OE2 GLU A 15 17.304 -5.317 -22.720 1.00 35.43 O ATOM 0 H GLU A 15 16.081 -3.914 -18.313 1.00 21.11 H new ATOM 0 HA GLU A 15 15.508 -1.263 -19.002 1.00 65.41 H new ATOM 0 HB2 GLU A 15 16.525 -1.835 -21.130 1.00 72.35 H new ATOM 0 HB3 GLU A 15 17.417 -2.618 -19.841 1.00 72.35 H new ATOM 0 HG2 GLU A 15 16.327 -4.754 -20.314 1.00 13.12 H new ATOM 0 HG3 GLU A 15 15.284 -4.000 -21.504 1.00 13.12 H new ATOM 240 N CYS A 16 13.570 -1.148 -20.597 1.00 55.12 N ATOM 241 CA CYS A 16 12.297 -1.042 -21.300 1.00 73.13 C ATOM 242 C CYS A 16 12.483 -0.390 -22.667 1.00 51.51 C ATOM 243 O CYS A 16 13.608 -0.197 -23.127 1.00 33.31 O ATOM 244 CB CYS A 16 11.297 -0.235 -20.470 1.00 30.14 C ATOM 245 SG CYS A 16 9.696 -1.067 -20.219 1.00 72.00 S ATOM 0 H CYS A 16 14.086 -0.271 -20.526 1.00 55.12 H new ATOM 0 HA CYS A 16 11.907 -2.049 -21.447 1.00 73.13 H new ATOM 0 HB2 CYS A 16 11.739 -0.020 -19.497 1.00 30.14 H new ATOM 0 HB3 CYS A 16 11.124 0.723 -20.960 1.00 30.14 H new ATOM 250 N GLY A 17 11.370 -0.051 -23.312 1.00 4.34 N ATOM 251 CA GLY A 17 11.432 0.577 -24.619 1.00 21.42 C ATOM 252 C GLY A 17 11.407 -0.434 -25.748 1.00 41.25 C ATOM 253 O GLY A 17 11.154 -0.080 -26.901 1.00 30.35 O ATOM 0 H GLY A 17 10.427 -0.200 -22.953 1.00 4.34 H new ATOM 0 HA2 GLY A 17 10.592 1.262 -24.730 1.00 21.42 H new ATOM 0 HA3 GLY A 17 12.341 1.174 -24.689 1.00 21.42 H new ATOM 257 N ILE A 18 11.672 -1.694 -25.419 1.00 52.43 N ATOM 258 CA ILE A 18 11.679 -2.758 -26.416 1.00 0.45 C ATOM 259 C ILE A 18 10.556 -3.757 -26.160 1.00 63.42 C ATOM 260 O ILE A 18 9.997 -4.333 -27.095 1.00 1.24 O ATOM 261 CB ILE A 18 13.025 -3.506 -26.430 1.00 33.54 C ATOM 262 CG1 ILE A 18 14.184 -2.515 -26.547 1.00 51.24 C ATOM 263 CG2 ILE A 18 13.061 -4.510 -27.573 1.00 14.32 C ATOM 264 CD1 ILE A 18 15.105 -2.517 -25.348 1.00 0.25 C ATOM 0 H ILE A 18 11.885 -2.003 -24.470 1.00 52.43 H new ATOM 0 HA ILE A 18 11.526 -2.285 -27.386 1.00 0.45 H new ATOM 0 HB ILE A 18 13.131 -4.050 -25.491 1.00 33.54 H new ATOM 0 HG12 ILE A 18 14.763 -2.750 -27.440 1.00 51.24 H new ATOM 0 HG13 ILE A 18 13.781 -1.512 -26.683 1.00 51.24 H new ATOM 0 HG21 ILE A 18 14.019 -5.031 -27.570 1.00 14.32 H new ATOM 0 HG22 ILE A 18 12.255 -5.233 -27.448 1.00 14.32 H new ATOM 0 HG23 ILE A 18 12.936 -3.987 -28.521 1.00 14.32 H new ATOM 0 HD11 ILE A 18 15.903 -1.790 -25.501 1.00 0.25 H new ATOM 0 HD12 ILE A 18 14.540 -2.252 -24.454 1.00 0.25 H new ATOM 0 HD13 ILE A 18 15.537 -3.510 -25.223 1.00 0.25 H new ATOM 276 N THR A 19 10.229 -3.959 -24.888 1.00 32.14 N ATOM 277 CA THR A 19 9.172 -4.889 -24.508 1.00 42.44 C ATOM 278 C THR A 19 7.838 -4.169 -24.349 1.00 10.24 C ATOM 279 O THR A 19 6.796 -4.676 -24.763 1.00 41.23 O ATOM 280 CB THR A 19 9.510 -5.617 -23.194 1.00 61.30 C ATOM 281 OG1 THR A 19 10.302 -4.770 -22.354 1.00 22.30 O ATOM 282 CG2 THR A 19 10.261 -6.911 -23.470 1.00 73.32 C ATOM 0 H THR A 19 10.681 -3.491 -24.103 1.00 32.14 H new ATOM 0 HA THR A 19 9.092 -5.623 -25.310 1.00 42.44 H new ATOM 0 HB THR A 19 8.575 -5.859 -22.688 1.00 61.30 H new ATOM 0 HG1 THR A 19 10.511 -5.240 -21.520 1.00 22.30 H new ATOM 0 HG21 THR A 19 10.489 -7.408 -22.527 1.00 73.32 H new ATOM 0 HG22 THR A 19 9.644 -7.566 -24.085 1.00 73.32 H new ATOM 0 HG23 THR A 19 11.189 -6.688 -23.996 1.00 73.32 H new ATOM 290 N GLN A 20 7.878 -2.985 -23.746 1.00 0.11 N ATOM 291 CA GLN A 20 6.671 -2.196 -23.532 1.00 14.00 C ATOM 292 C GLN A 20 5.589 -3.029 -22.852 1.00 24.15 C ATOM 293 O GLN A 20 4.458 -3.105 -23.330 1.00 73.52 O ATOM 294 CB GLN A 20 6.149 -1.651 -24.863 1.00 23.40 C ATOM 295 CG GLN A 20 5.082 -0.580 -24.706 1.00 22.20 C ATOM 296 CD GLN A 20 5.664 0.778 -24.369 1.00 2.45 C ATOM 297 OE1 GLN A 20 6.391 0.929 -23.386 1.00 34.44 O ATOM 298 NE2 GLN A 20 5.348 1.777 -25.184 1.00 52.40 N ATOM 0 H GLN A 20 8.733 -2.551 -23.397 1.00 0.11 H new ATOM 0 HA GLN A 20 6.925 -1.361 -22.880 1.00 14.00 H new ATOM 0 HB2 GLN A 20 6.984 -1.240 -25.430 1.00 23.40 H new ATOM 0 HB3 GLN A 20 5.741 -2.475 -25.449 1.00 23.40 H new ATOM 0 HG2 GLN A 20 4.508 -0.506 -25.630 1.00 22.20 H new ATOM 0 HG3 GLN A 20 4.386 -0.878 -23.922 1.00 22.20 H new ATOM 0 HE21 GLN A 20 4.742 1.608 -25.987 1.00 52.40 H new ATOM 0 HE22 GLN A 20 5.711 2.714 -25.007 1.00 52.40 H new ATOM 307 N ASP A 21 5.946 -3.652 -21.734 1.00 15.15 N ATOM 308 CA ASP A 21 5.005 -4.479 -20.986 1.00 63.35 C ATOM 309 C ASP A 21 5.193 -4.294 -19.484 1.00 1.10 C ATOM 310 O ASP A 21 4.872 -5.181 -18.693 1.00 72.41 O ATOM 311 CB ASP A 21 5.183 -5.952 -21.357 1.00 62.53 C ATOM 312 CG ASP A 21 3.879 -6.608 -21.767 1.00 41.25 C ATOM 313 OD1 ASP A 21 3.056 -5.933 -22.420 1.00 13.44 O ATOM 314 OD2 ASP A 21 3.681 -7.796 -21.436 1.00 4.44 O ATOM 0 H ASP A 21 6.879 -3.600 -21.326 1.00 15.15 H new ATOM 0 HA ASP A 21 3.995 -4.165 -21.248 1.00 63.35 H new ATOM 0 HB2 ASP A 21 5.900 -6.034 -22.174 1.00 62.53 H new ATOM 0 HB3 ASP A 21 5.605 -6.489 -20.508 1.00 62.53 H new ATOM 319 N CYS A 22 5.716 -3.135 -19.097 1.00 23.42 N ATOM 320 CA CYS A 22 5.949 -2.833 -17.690 1.00 31.02 C ATOM 321 C CYS A 22 4.636 -2.823 -16.911 1.00 43.34 C ATOM 322 O CYS A 22 4.558 -3.343 -15.799 1.00 43.04 O ATOM 323 CB CYS A 22 6.650 -1.481 -17.546 1.00 43.13 C ATOM 324 SG CYS A 22 8.135 -1.299 -18.587 1.00 34.23 S ATOM 0 H CYS A 22 5.986 -2.390 -19.739 1.00 23.42 H new ATOM 0 HA CYS A 22 6.590 -3.613 -17.278 1.00 31.02 H new ATOM 0 HB2 CYS A 22 5.944 -0.689 -17.797 1.00 43.13 H new ATOM 0 HB3 CYS A 22 6.931 -1.339 -16.503 1.00 43.13 H new ATOM 329 N ASN A 23 3.607 -2.226 -17.505 1.00 65.41 N ATOM 330 CA ASN A 23 2.298 -2.148 -16.868 1.00 0.32 C ATOM 331 C ASN A 23 1.757 -3.541 -16.563 1.00 20.25 C ATOM 332 O ASN A 23 1.168 -3.773 -15.507 1.00 21.35 O ATOM 333 CB ASN A 23 1.316 -1.392 -17.765 1.00 74.31 C ATOM 334 CG ASN A 23 0.324 -0.565 -16.969 1.00 64.24 C ATOM 335 OD1 ASN A 23 0.064 0.593 -17.294 1.00 52.32 O ATOM 336 ND2 ASN A 23 -0.233 -1.158 -15.920 1.00 74.44 N ATOM 0 H ASN A 23 3.655 -1.790 -18.426 1.00 65.41 H new ATOM 0 HA ASN A 23 2.411 -1.608 -15.928 1.00 0.32 H new ATOM 0 HB2 ASN A 23 1.872 -0.739 -18.438 1.00 74.31 H new ATOM 0 HB3 ASN A 23 0.774 -2.104 -18.387 1.00 74.31 H new ATOM 0 HD21 ASN A 23 -0.907 -0.651 -15.346 1.00 74.44 H new ATOM 0 HD22 ASN A 23 0.013 -2.120 -15.688 1.00 74.44 H new ATOM 343 N LYS A 24 1.961 -4.466 -17.494 1.00 64.31 N ATOM 344 CA LYS A 24 1.497 -5.838 -17.326 1.00 33.13 C ATOM 345 C LYS A 24 2.285 -6.549 -16.230 1.00 61.04 C ATOM 346 O LYS A 24 1.706 -7.105 -15.296 1.00 63.31 O ATOM 347 CB LYS A 24 1.625 -6.607 -18.642 1.00 64.25 C ATOM 348 CG LYS A 24 0.568 -7.683 -18.825 1.00 3.44 C ATOM 349 CD LYS A 24 1.194 -9.035 -19.119 1.00 61.52 C ATOM 350 CE LYS A 24 0.309 -9.872 -20.030 1.00 63.34 C ATOM 351 NZ LYS A 24 -0.948 -10.292 -19.351 1.00 5.34 N ATOM 0 H LYS A 24 2.445 -4.290 -18.374 1.00 64.31 H new ATOM 0 HA LYS A 24 0.448 -5.806 -17.032 1.00 33.13 H new ATOM 0 HB2 LYS A 24 1.562 -5.903 -19.472 1.00 64.25 H new ATOM 0 HB3 LYS A 24 2.612 -7.068 -18.689 1.00 64.25 H new ATOM 0 HG2 LYS A 24 -0.042 -7.752 -17.924 1.00 3.44 H new ATOM 0 HG3 LYS A 24 -0.099 -7.404 -19.641 1.00 3.44 H new ATOM 0 HD2 LYS A 24 2.168 -8.892 -19.587 1.00 61.52 H new ATOM 0 HD3 LYS A 24 1.365 -9.569 -18.184 1.00 61.52 H new ATOM 0 HE2 LYS A 24 0.064 -9.299 -20.925 1.00 63.34 H new ATOM 0 HE3 LYS A 24 0.857 -10.755 -20.357 1.00 63.34 H new ATOM 0 HZ1 LYS A 24 -1.523 -10.860 -20.005 1.00 5.34 H new ATOM 0 HZ2 LYS A 24 -0.716 -10.860 -18.511 1.00 5.34 H new ATOM 0 HZ3 LYS A 24 -1.484 -9.449 -19.061 1.00 5.34 H new ATOM 365 N LEU A 25 3.608 -6.526 -16.350 1.00 71.02 N ATOM 366 CA LEU A 25 4.476 -7.167 -15.369 1.00 22.32 C ATOM 367 C LEU A 25 4.238 -6.596 -13.975 1.00 34.02 C ATOM 368 O LEU A 25 4.129 -7.338 -12.998 1.00 64.12 O ATOM 369 CB LEU A 25 5.943 -6.987 -15.762 1.00 45.10 C ATOM 370 CG LEU A 25 6.933 -7.964 -15.127 1.00 65.23 C ATOM 371 CD1 LEU A 25 7.141 -9.173 -16.027 1.00 4.24 C ATOM 372 CD2 LEU A 25 8.259 -7.273 -14.845 1.00 43.53 C ATOM 0 H LEU A 25 4.103 -6.070 -17.117 1.00 71.02 H new ATOM 0 HA LEU A 25 4.239 -8.231 -15.351 1.00 22.32 H new ATOM 0 HB2 LEU A 25 6.021 -7.075 -16.846 1.00 45.10 H new ATOM 0 HB3 LEU A 25 6.246 -5.973 -15.501 1.00 45.10 H new ATOM 0 HG LEU A 25 6.517 -8.308 -14.180 1.00 65.23 H new ATOM 0 HD11 LEU A 25 7.849 -9.857 -15.559 1.00 4.24 H new ATOM 0 HD12 LEU A 25 6.189 -9.682 -16.178 1.00 4.24 H new ATOM 0 HD13 LEU A 25 7.535 -8.847 -16.990 1.00 4.24 H new ATOM 0 HD21 LEU A 25 8.951 -7.984 -14.393 1.00 43.53 H new ATOM 0 HD22 LEU A 25 8.680 -6.900 -15.778 1.00 43.53 H new ATOM 0 HD23 LEU A 25 8.097 -6.440 -14.161 1.00 43.53 H new ATOM 384 N CYS A 26 4.154 -5.273 -13.890 1.00 2.43 N ATOM 385 CA CYS A 26 3.926 -4.601 -12.616 1.00 43.52 C ATOM 386 C CYS A 26 2.594 -5.027 -12.007 1.00 54.31 C ATOM 387 O CYS A 26 2.535 -5.470 -10.859 1.00 44.44 O ATOM 388 CB CYS A 26 3.951 -3.082 -12.805 1.00 70.52 C ATOM 389 SG CYS A 26 5.610 -2.342 -12.663 1.00 75.43 S ATOM 0 H CYS A 26 4.240 -4.644 -14.689 1.00 2.43 H new ATOM 0 HA CYS A 26 4.726 -4.889 -11.934 1.00 43.52 H new ATOM 0 HB2 CYS A 26 3.541 -2.842 -13.786 1.00 70.52 H new ATOM 0 HB3 CYS A 26 3.296 -2.624 -12.064 1.00 70.52 H new ATOM 394 N THR A 27 1.523 -4.890 -12.784 1.00 64.10 N ATOM 395 CA THR A 27 0.191 -5.260 -12.322 1.00 45.41 C ATOM 396 C THR A 27 0.156 -6.708 -11.849 1.00 31.14 C ATOM 397 O THR A 27 -0.295 -6.997 -10.741 1.00 4.15 O ATOM 398 CB THR A 27 -0.861 -5.068 -13.431 1.00 2.35 C ATOM 399 OG1 THR A 27 -0.412 -5.682 -14.644 1.00 33.55 O ATOM 400 CG2 THR A 27 -1.128 -3.590 -13.674 1.00 4.15 C ATOM 0 H THR A 27 1.553 -4.525 -13.736 1.00 64.10 H new ATOM 0 HA THR A 27 -0.048 -4.602 -11.486 1.00 45.41 H new ATOM 0 HB THR A 27 -1.788 -5.540 -13.107 1.00 2.35 H new ATOM 0 HG1 THR A 27 0.220 -5.086 -15.098 1.00 33.55 H new ATOM 0 HG21 THR A 27 -1.874 -3.480 -14.461 1.00 4.15 H new ATOM 0 HG22 THR A 27 -1.498 -3.131 -12.757 1.00 4.15 H new ATOM 0 HG23 THR A 27 -0.204 -3.099 -13.978 1.00 4.15 H new ATOM 408 N GLU A 28 0.634 -7.615 -12.695 1.00 43.41 N ATOM 409 CA GLU A 28 0.656 -9.034 -12.361 1.00 43.13 C ATOM 410 C GLU A 28 1.398 -9.273 -11.049 1.00 51.22 C ATOM 411 O GLU A 28 0.953 -10.049 -10.205 1.00 61.42 O ATOM 412 CB GLU A 28 1.316 -9.835 -13.486 1.00 11.12 C ATOM 413 CG GLU A 28 0.376 -10.815 -14.168 1.00 12.43 C ATOM 414 CD GLU A 28 0.108 -12.048 -13.327 1.00 11.43 C ATOM 415 OE1 GLU A 28 0.978 -12.407 -12.506 1.00 72.54 O ATOM 416 OE2 GLU A 28 -0.973 -12.653 -13.489 1.00 44.53 O ATOM 0 H GLU A 28 1.011 -7.392 -13.616 1.00 43.41 H new ATOM 0 HA GLU A 28 -0.374 -9.369 -12.242 1.00 43.13 H new ATOM 0 HB2 GLU A 28 1.709 -9.143 -14.231 1.00 11.12 H new ATOM 0 HB3 GLU A 28 2.166 -10.383 -13.080 1.00 11.12 H new ATOM 0 HG2 GLU A 28 -0.568 -10.316 -14.385 1.00 12.43 H new ATOM 0 HG3 GLU A 28 0.804 -11.118 -15.124 1.00 12.43 H new ATOM 423 N ASN A 29 2.532 -8.599 -10.886 1.00 60.12 N ATOM 424 CA ASN A 29 3.337 -8.738 -9.678 1.00 32.40 C ATOM 425 C ASN A 29 2.531 -8.357 -8.440 1.00 54.53 C ATOM 426 O ASN A 29 2.831 -8.796 -7.331 1.00 52.11 O ATOM 427 CB ASN A 29 4.591 -7.867 -9.772 1.00 70.13 C ATOM 428 CG ASN A 29 5.831 -8.673 -10.108 1.00 30.01 C ATOM 429 OD1 ASN A 29 6.573 -9.090 -9.219 1.00 22.33 O ATOM 430 ND2 ASN A 29 6.061 -8.895 -11.397 1.00 31.42 N ATOM 0 H ASN A 29 2.914 -7.951 -11.575 1.00 60.12 H new ATOM 0 HA ASN A 29 3.635 -9.783 -9.589 1.00 32.40 H new ATOM 0 HB2 ASN A 29 4.442 -7.101 -10.533 1.00 70.13 H new ATOM 0 HB3 ASN A 29 4.743 -7.350 -8.825 1.00 70.13 H new ATOM 0 HD21 ASN A 29 6.880 -9.431 -11.684 1.00 31.42 H new ATOM 0 HD22 ASN A 29 5.418 -8.530 -12.100 1.00 31.42 H new ATOM 437 N GLY A 30 1.504 -7.535 -8.639 1.00 61.14 N ATOM 438 CA GLY A 30 0.670 -7.108 -7.531 1.00 70.13 C ATOM 439 C GLY A 30 0.658 -5.602 -7.362 1.00 13.23 C ATOM 440 O GLY A 30 0.056 -5.081 -6.423 1.00 30.10 O ATOM 0 H GLY A 30 1.235 -7.158 -9.548 1.00 61.14 H new ATOM 0 HA2 GLY A 30 -0.349 -7.461 -7.690 1.00 70.13 H new ATOM 0 HA3 GLY A 30 1.028 -7.571 -6.611 1.00 70.13 H new ATOM 444 N ALA A 31 1.325 -4.900 -8.272 1.00 23.04 N ATOM 445 CA ALA A 31 1.388 -3.445 -8.219 1.00 4.34 C ATOM 446 C ALA A 31 0.116 -2.819 -8.780 1.00 30.23 C ATOM 447 O ALA A 31 -0.579 -3.428 -9.592 1.00 34.43 O ATOM 448 CB ALA A 31 2.606 -2.941 -8.979 1.00 62.22 C ATOM 0 H ALA A 31 1.829 -5.316 -9.055 1.00 23.04 H new ATOM 0 HA ALA A 31 1.477 -3.148 -7.174 1.00 4.34 H new ATOM 0 HB1 ALA A 31 2.640 -1.853 -8.931 1.00 62.22 H new ATOM 0 HB2 ALA A 31 3.510 -3.353 -8.531 1.00 62.22 H new ATOM 0 HB3 ALA A 31 2.541 -3.256 -10.020 1.00 62.22 H new ATOM 454 N GLU A 32 -0.182 -1.600 -8.341 1.00 34.45 N ATOM 455 CA GLU A 32 -1.373 -0.894 -8.799 1.00 21.20 C ATOM 456 C GLU A 32 -1.249 -0.519 -10.273 1.00 33.20 C ATOM 457 O GLU A 32 -2.217 -0.602 -11.029 1.00 13.22 O ATOM 458 CB GLU A 32 -1.602 0.364 -7.959 1.00 22.02 C ATOM 459 CG GLU A 32 -3.011 0.922 -8.070 1.00 3.11 C ATOM 460 CD GLU A 32 -3.143 1.957 -9.170 1.00 72.24 C ATOM 461 OE1 GLU A 32 -2.193 2.743 -9.364 1.00 1.34 O ATOM 462 OE2 GLU A 32 -4.198 1.979 -9.839 1.00 11.32 O ATOM 0 H GLU A 32 0.384 -1.081 -7.670 1.00 34.45 H new ATOM 0 HA GLU A 32 -2.227 -1.561 -8.682 1.00 21.20 H new ATOM 0 HB2 GLU A 32 -1.392 0.136 -6.914 1.00 22.02 H new ATOM 0 HB3 GLU A 32 -0.891 1.131 -8.267 1.00 22.02 H new ATOM 0 HG2 GLU A 32 -3.707 0.105 -8.259 1.00 3.11 H new ATOM 0 HG3 GLU A 32 -3.296 1.370 -7.118 1.00 3.11 H new ATOM 469 N SER A 33 -0.051 -0.106 -10.674 1.00 32.20 N ATOM 470 CA SER A 33 0.199 0.286 -12.056 1.00 21.00 C ATOM 471 C SER A 33 1.685 0.188 -12.388 1.00 1.22 C ATOM 472 O SER A 33 2.494 -0.217 -11.554 1.00 35.32 O ATOM 473 CB SER A 33 -0.297 1.712 -12.301 1.00 50.24 C ATOM 474 OG SER A 33 -1.198 1.758 -13.394 1.00 61.24 O ATOM 0 H SER A 33 0.762 -0.034 -10.062 1.00 32.20 H new ATOM 0 HA SER A 33 -0.347 -0.398 -12.706 1.00 21.00 H new ATOM 0 HB2 SER A 33 -0.789 2.088 -11.404 1.00 50.24 H new ATOM 0 HB3 SER A 33 0.552 2.367 -12.498 1.00 50.24 H new ATOM 0 HG SER A 33 -1.502 2.680 -13.529 1.00 61.24 H new ATOM 480 N GLY A 34 2.037 0.563 -13.614 1.00 3.21 N ATOM 481 CA GLY A 34 3.425 0.511 -14.036 1.00 32.41 C ATOM 482 C GLY A 34 3.602 0.885 -15.494 1.00 71.21 C ATOM 483 O GLY A 34 2.658 0.808 -16.281 1.00 62.30 O ATOM 0 H GLY A 34 1.386 0.902 -14.322 1.00 3.21 H new ATOM 0 HA2 GLY A 34 4.015 1.186 -13.417 1.00 32.41 H new ATOM 0 HA3 GLY A 34 3.814 -0.494 -13.872 1.00 32.41 H new ATOM 487 N TYR A 35 4.813 1.293 -15.855 1.00 63.34 N ATOM 488 CA TYR A 35 5.110 1.685 -17.228 1.00 70.41 C ATOM 489 C TYR A 35 6.615 1.711 -17.474 1.00 5.22 C ATOM 490 O TYR A 35 7.406 1.361 -16.597 1.00 41.31 O ATOM 491 CB TYR A 35 4.508 3.058 -17.530 1.00 3.10 C ATOM 492 CG TYR A 35 4.708 4.064 -16.419 1.00 42.11 C ATOM 493 CD1 TYR A 35 5.982 4.485 -16.057 1.00 62.42 C ATOM 494 CD2 TYR A 35 3.624 4.593 -15.731 1.00 13.43 C ATOM 495 CE1 TYR A 35 6.170 5.403 -15.042 1.00 51.04 C ATOM 496 CE2 TYR A 35 3.802 5.513 -14.716 1.00 12.33 C ATOM 497 CZ TYR A 35 5.077 5.915 -14.375 1.00 73.21 C ATOM 498 OH TYR A 35 5.258 6.830 -13.364 1.00 24.14 O ATOM 0 H TYR A 35 5.605 1.361 -15.216 1.00 63.34 H new ATOM 0 HA TYR A 35 4.665 0.946 -17.894 1.00 70.41 H new ATOM 0 HB2 TYR A 35 4.953 3.447 -18.446 1.00 3.10 H new ATOM 0 HB3 TYR A 35 3.440 2.944 -17.718 1.00 3.10 H new ATOM 0 HD1 TYR A 35 6.840 4.087 -16.578 1.00 62.42 H new ATOM 0 HD2 TYR A 35 2.624 4.280 -15.994 1.00 13.43 H new ATOM 0 HE1 TYR A 35 7.167 5.718 -14.772 1.00 51.04 H new ATOM 0 HE2 TYR A 35 2.948 5.915 -14.192 1.00 12.33 H new ATOM 0 HH TYR A 35 5.707 6.397 -12.608 1.00 24.14 H new ATOM 508 N CYS A 36 7.005 2.130 -18.673 1.00 62.23 N ATOM 509 CA CYS A 36 8.415 2.204 -19.037 1.00 71.52 C ATOM 510 C CYS A 36 8.972 3.600 -18.775 1.00 21.32 C ATOM 511 O CYS A 36 8.651 4.550 -19.487 1.00 50.34 O ATOM 512 CB CYS A 36 8.603 1.836 -20.510 1.00 53.15 C ATOM 513 SG CYS A 36 8.239 0.093 -20.894 1.00 73.13 S ATOM 0 H CYS A 36 6.364 2.424 -19.410 1.00 62.23 H new ATOM 0 HA CYS A 36 8.962 1.492 -18.419 1.00 71.52 H new ATOM 0 HB2 CYS A 36 7.960 2.473 -21.117 1.00 53.15 H new ATOM 0 HB3 CYS A 36 9.631 2.053 -20.799 1.00 53.15 H new ATOM 518 N GLN A 37 9.808 3.714 -17.748 1.00 63.30 N ATOM 519 CA GLN A 37 10.410 4.993 -17.392 1.00 14.34 C ATOM 520 C GLN A 37 11.648 5.268 -18.239 1.00 34.11 C ATOM 521 O GLN A 37 12.760 4.888 -17.871 1.00 55.54 O ATOM 522 CB GLN A 37 10.779 5.012 -15.907 1.00 73.42 C ATOM 523 CG GLN A 37 10.034 6.068 -15.108 1.00 54.50 C ATOM 524 CD GLN A 37 10.638 7.450 -15.261 1.00 45.13 C ATOM 525 OE1 GLN A 37 11.859 7.610 -15.256 1.00 4.00 O ATOM 526 NE2 GLN A 37 9.785 8.458 -15.399 1.00 42.22 N ATOM 0 H GLN A 37 10.084 2.936 -17.148 1.00 63.30 H new ATOM 0 HA GLN A 37 9.678 5.776 -17.587 1.00 14.34 H new ATOM 0 HB2 GLN A 37 10.573 4.031 -15.478 1.00 73.42 H new ATOM 0 HB3 GLN A 37 11.851 5.184 -15.810 1.00 73.42 H new ATOM 0 HG2 GLN A 37 8.993 6.093 -15.429 1.00 54.50 H new ATOM 0 HG3 GLN A 37 10.036 5.789 -14.054 1.00 54.50 H new ATOM 0 HE21 GLN A 37 8.781 8.280 -15.398 1.00 42.22 H new ATOM 0 HE22 GLN A 37 10.134 9.410 -15.506 1.00 42.22 H new ATOM 535 N TRP A 38 11.447 5.928 -19.373 1.00 40.44 N ATOM 536 CA TRP A 38 12.548 6.253 -20.273 1.00 51.24 C ATOM 537 C TRP A 38 13.229 7.551 -19.854 1.00 24.14 C ATOM 538 O TRP A 38 12.909 8.624 -20.363 1.00 3.12 O ATOM 539 CB TRP A 38 12.040 6.371 -21.711 1.00 43.34 C ATOM 540 CG TRP A 38 12.379 5.183 -22.560 1.00 40.43 C ATOM 541 CD1 TRP A 38 12.572 3.900 -22.135 1.00 15.13 C ATOM 542 CD2 TRP A 38 12.567 5.170 -23.980 1.00 10.15 C ATOM 543 NE1 TRP A 38 12.868 3.090 -23.204 1.00 71.30 N ATOM 544 CE2 TRP A 38 12.870 3.844 -24.347 1.00 44.51 C ATOM 545 CE3 TRP A 38 12.507 6.148 -24.976 1.00 15.12 C ATOM 546 CZ2 TRP A 38 13.113 3.476 -25.667 1.00 62.55 C ATOM 547 CZ3 TRP A 38 12.748 5.780 -26.286 1.00 1.32 C ATOM 548 CH2 TRP A 38 13.048 4.453 -26.622 1.00 54.54 C ATOM 0 H TRP A 38 10.533 6.249 -19.692 1.00 40.44 H new ATOM 0 HA TRP A 38 13.279 5.447 -20.218 1.00 51.24 H new ATOM 0 HB2 TRP A 38 10.958 6.502 -21.697 1.00 43.34 H new ATOM 0 HB3 TRP A 38 12.463 7.266 -22.166 1.00 43.34 H new ATOM 0 HD1 TRP A 38 12.502 3.570 -21.109 1.00 15.13 H new ATOM 0 HE1 TRP A 38 13.056 2.089 -23.154 1.00 71.30 H new ATOM 0 HE3 TRP A 38 12.276 7.173 -24.727 1.00 15.12 H new ATOM 0 HZ2 TRP A 38 13.345 2.454 -25.928 1.00 62.55 H new ATOM 0 HZ3 TRP A 38 12.704 6.528 -27.064 1.00 1.32 H new ATOM 0 HH2 TRP A 38 13.231 4.197 -27.655 1.00 54.54 H new ATOM 559 N GLY A 39 14.172 7.445 -18.921 1.00 55.22 N ATOM 560 CA GLY A 39 14.883 8.619 -18.449 1.00 62.43 C ATOM 561 C GLY A 39 14.948 8.688 -16.937 1.00 12.05 C ATOM 562 O GLY A 39 14.429 9.623 -16.328 1.00 43.33 O ATOM 0 H GLY A 39 14.455 6.568 -18.485 1.00 55.22 H new ATOM 0 HA2 GLY A 39 15.895 8.614 -18.853 1.00 62.43 H new ATOM 0 HA3 GLY A 39 14.392 9.515 -18.830 1.00 62.43 H new ATOM 566 N GLY A 40 15.586 7.693 -16.326 1.00 55.45 N ATOM 567 CA GLY A 40 15.703 7.664 -14.880 1.00 75.33 C ATOM 568 C GLY A 40 17.133 7.838 -14.411 1.00 23.43 C ATOM 569 O GLY A 40 18.044 8.011 -15.221 1.00 1.34 O ATOM 0 H GLY A 40 16.023 6.907 -16.807 1.00 55.45 H new ATOM 0 HA2 GLY A 40 15.085 8.454 -14.453 1.00 75.33 H new ATOM 0 HA3 GLY A 40 15.314 6.717 -14.506 1.00 75.33 H new ATOM 573 N LYS A 41 17.333 7.793 -13.098 1.00 31.42 N ATOM 574 CA LYS A 41 18.663 7.947 -12.520 1.00 33.31 C ATOM 575 C LYS A 41 19.637 6.938 -13.120 1.00 32.44 C ATOM 576 O LYS A 41 20.807 7.248 -13.345 1.00 12.11 O ATOM 577 CB LYS A 41 18.604 7.774 -11.000 1.00 41.15 C ATOM 578 CG LYS A 41 19.403 8.817 -10.239 1.00 3.04 C ATOM 579 CD LYS A 41 18.657 10.138 -10.152 1.00 61.11 C ATOM 580 CE LYS A 41 17.724 10.173 -8.951 1.00 43.53 C ATOM 581 NZ LYS A 41 16.304 10.360 -9.358 1.00 31.13 N ATOM 0 H LYS A 41 16.590 7.651 -12.414 1.00 31.42 H new ATOM 0 HA LYS A 41 19.019 8.951 -12.752 1.00 33.31 H new ATOM 0 HB2 LYS A 41 17.564 7.819 -10.678 1.00 41.15 H new ATOM 0 HB3 LYS A 41 18.976 6.783 -10.741 1.00 41.15 H new ATOM 0 HG2 LYS A 41 19.616 8.452 -9.234 1.00 3.04 H new ATOM 0 HG3 LYS A 41 20.363 8.972 -10.732 1.00 3.04 H new ATOM 0 HD2 LYS A 41 19.373 10.957 -10.082 1.00 61.11 H new ATOM 0 HD3 LYS A 41 18.082 10.293 -11.065 1.00 61.11 H new ATOM 0 HE2 LYS A 41 17.821 9.245 -8.388 1.00 43.53 H new ATOM 0 HE3 LYS A 41 18.020 10.983 -8.284 1.00 43.53 H new ATOM 0 HZ1 LYS A 41 15.700 10.379 -8.512 1.00 31.13 H new ATOM 0 HZ2 LYS A 41 16.206 11.258 -9.873 1.00 31.13 H new ATOM 0 HZ3 LYS A 41 16.013 9.574 -9.974 1.00 31.13 H new ATOM 595 N TYR A 42 19.147 5.730 -13.377 1.00 13.22 N ATOM 596 CA TYR A 42 19.975 4.675 -13.950 1.00 15.43 C ATOM 597 C TYR A 42 19.595 4.415 -15.404 1.00 64.33 C ATOM 598 O TYR A 42 19.793 3.316 -15.922 1.00 41.41 O ATOM 599 CB TYR A 42 19.833 3.388 -13.136 1.00 11.24 C ATOM 600 CG TYR A 42 20.335 3.512 -11.715 1.00 11.13 C ATOM 601 CD1 TYR A 42 21.680 3.741 -11.450 1.00 34.12 C ATOM 602 CD2 TYR A 42 19.465 3.400 -10.637 1.00 60.52 C ATOM 603 CE1 TYR A 42 22.143 3.854 -10.153 1.00 41.13 C ATOM 604 CE2 TYR A 42 19.919 3.513 -9.338 1.00 23.14 C ATOM 605 CZ TYR A 42 21.259 3.740 -9.101 1.00 20.13 C ATOM 606 OH TYR A 42 21.716 3.852 -7.807 1.00 73.05 O ATOM 0 H TYR A 42 18.181 5.457 -13.198 1.00 13.22 H new ATOM 0 HA TYR A 42 21.014 5.004 -13.918 1.00 15.43 H new ATOM 0 HB2 TYR A 42 18.784 3.094 -13.117 1.00 11.24 H new ATOM 0 HB3 TYR A 42 20.379 2.589 -13.637 1.00 11.24 H new ATOM 0 HD1 TYR A 42 22.375 3.832 -12.272 1.00 34.12 H new ATOM 0 HD2 TYR A 42 18.415 3.221 -10.819 1.00 60.52 H new ATOM 0 HE1 TYR A 42 23.192 4.031 -9.964 1.00 41.13 H new ATOM 0 HE2 TYR A 42 19.229 3.424 -8.512 1.00 23.14 H new ATOM 0 HH TYR A 42 20.966 3.749 -7.185 1.00 73.05 H new ATOM 616 N GLY A 43 19.049 5.435 -16.059 1.00 1.22 N ATOM 617 CA GLY A 43 18.651 5.298 -17.448 1.00 31.15 C ATOM 618 C GLY A 43 17.218 4.826 -17.596 1.00 21.21 C ATOM 619 O GLY A 43 16.384 5.071 -16.726 1.00 54.51 O ATOM 0 H GLY A 43 18.875 6.354 -15.652 1.00 1.22 H new ATOM 0 HA2 GLY A 43 18.769 6.257 -17.953 1.00 31.15 H new ATOM 0 HA3 GLY A 43 19.316 4.592 -17.946 1.00 31.15 H new ATOM 623 N ASN A 44 16.932 4.147 -18.702 1.00 51.23 N ATOM 624 CA ASN A 44 15.589 3.642 -18.963 1.00 30.42 C ATOM 625 C ASN A 44 15.323 2.368 -18.165 1.00 50.35 C ATOM 626 O ASN A 44 16.086 1.406 -18.240 1.00 44.13 O ATOM 627 CB ASN A 44 15.405 3.369 -20.457 1.00 62.30 C ATOM 628 CG ASN A 44 16.469 2.440 -21.010 1.00 72.12 C ATOM 629 OD1 ASN A 44 16.353 1.218 -20.913 1.00 2.10 O ATOM 630 ND2 ASN A 44 17.512 3.017 -21.594 1.00 43.15 N ATOM 0 H ASN A 44 17.612 3.934 -19.432 1.00 51.23 H new ATOM 0 HA ASN A 44 14.874 4.403 -18.649 1.00 30.42 H new ATOM 0 HB2 ASN A 44 14.421 2.931 -20.625 1.00 62.30 H new ATOM 0 HB3 ASN A 44 15.431 4.313 -21.002 1.00 62.30 H new ATOM 0 HD21 ASN A 44 18.259 2.443 -21.985 1.00 43.15 H new ATOM 0 HD22 ASN A 44 17.566 4.034 -21.652 1.00 43.15 H new ATOM 637 N ALA A 45 14.234 2.371 -17.403 1.00 25.21 N ATOM 638 CA ALA A 45 13.866 1.216 -16.594 1.00 31.41 C ATOM 639 C ALA A 45 12.359 1.163 -16.367 1.00 31.31 C ATOM 640 O ALA A 45 11.688 2.195 -16.343 1.00 33.22 O ATOM 641 CB ALA A 45 14.601 1.248 -15.262 1.00 64.44 C ATOM 0 H ALA A 45 13.592 3.160 -17.329 1.00 25.21 H new ATOM 0 HA ALA A 45 14.158 0.316 -17.136 1.00 31.41 H new ATOM 0 HB1 ALA A 45 14.316 0.379 -14.668 1.00 64.44 H new ATOM 0 HB2 ALA A 45 15.676 1.230 -15.439 1.00 64.44 H new ATOM 0 HB3 ALA A 45 14.338 2.158 -14.723 1.00 64.44 H new ATOM 647 N CYS A 46 11.832 -0.046 -16.202 1.00 23.05 N ATOM 648 CA CYS A 46 10.404 -0.234 -15.978 1.00 21.34 C ATOM 649 C CYS A 46 10.000 0.265 -14.593 1.00 61.52 C ATOM 650 O CYS A 46 10.377 -0.320 -13.577 1.00 43.44 O ATOM 651 CB CYS A 46 10.033 -1.711 -16.128 1.00 24.11 C ATOM 652 SG CYS A 46 9.689 -2.221 -17.843 1.00 4.43 S ATOM 0 H CYS A 46 12.373 -0.910 -16.219 1.00 23.05 H new ATOM 0 HA CYS A 46 9.865 0.347 -16.726 1.00 21.34 H new ATOM 0 HB2 CYS A 46 10.847 -2.321 -15.735 1.00 24.11 H new ATOM 0 HB3 CYS A 46 9.155 -1.918 -15.516 1.00 24.11 H new ATOM 657 N TRP A 47 9.231 1.347 -14.562 1.00 23.10 N ATOM 658 CA TRP A 47 8.776 1.924 -13.303 1.00 13.55 C ATOM 659 C TRP A 47 7.502 1.240 -12.819 1.00 20.00 C ATOM 660 O TRP A 47 6.699 0.762 -13.621 1.00 41.42 O ATOM 661 CB TRP A 47 8.533 3.426 -13.465 1.00 34.23 C ATOM 662 CG TRP A 47 7.943 4.067 -12.245 1.00 50.21 C ATOM 663 CD1 TRP A 47 6.620 4.306 -12.003 1.00 23.33 C ATOM 664 CD2 TRP A 47 8.656 4.554 -11.103 1.00 22.51 C ATOM 665 NE1 TRP A 47 6.468 4.911 -10.779 1.00 3.14 N ATOM 666 CE2 TRP A 47 7.702 5.073 -10.206 1.00 42.32 C ATOM 667 CE3 TRP A 47 10.007 4.599 -10.749 1.00 64.43 C ATOM 668 CZ2 TRP A 47 8.059 5.631 -8.981 1.00 54.24 C ATOM 669 CZ3 TRP A 47 10.360 5.153 -9.533 1.00 74.05 C ATOM 670 CH2 TRP A 47 9.389 5.662 -8.661 1.00 13.50 C ATOM 0 H TRP A 47 8.910 1.842 -15.394 1.00 23.10 H new ATOM 0 HA TRP A 47 9.556 1.767 -12.558 1.00 13.55 H new ATOM 0 HB2 TRP A 47 9.477 3.916 -13.704 1.00 34.23 H new ATOM 0 HB3 TRP A 47 7.866 3.590 -14.311 1.00 34.23 H new ATOM 0 HD1 TRP A 47 5.812 4.056 -12.675 1.00 23.33 H new ATOM 0 HE1 TRP A 47 5.580 5.194 -10.364 1.00 3.14 H new ATOM 0 HE3 TRP A 47 10.762 4.208 -11.414 1.00 64.43 H new ATOM 0 HZ2 TRP A 47 7.313 6.025 -8.307 1.00 54.24 H new ATOM 0 HZ3 TRP A 47 11.402 5.194 -9.250 1.00 74.05 H new ATOM 0 HH2 TRP A 47 9.696 6.087 -7.717 1.00 13.50 H new ATOM 681 N CYS A 48 7.322 1.196 -11.503 1.00 63.41 N ATOM 682 CA CYS A 48 6.146 0.569 -10.912 1.00 51.22 C ATOM 683 C CYS A 48 5.393 1.555 -10.024 1.00 11.31 C ATOM 684 O CYS A 48 6.002 2.352 -9.309 1.00 54.33 O ATOM 685 CB CYS A 48 6.552 -0.661 -10.098 1.00 0.43 C ATOM 686 SG CYS A 48 5.904 -2.233 -10.752 1.00 4.33 S ATOM 0 H CYS A 48 7.976 1.587 -10.825 1.00 63.41 H new ATOM 0 HA CYS A 48 5.485 0.258 -11.721 1.00 51.22 H new ATOM 0 HB2 CYS A 48 7.640 -0.716 -10.061 1.00 0.43 H new ATOM 0 HB3 CYS A 48 6.204 -0.536 -9.073 1.00 0.43 H new ATOM 691 N ILE A 49 4.067 1.495 -10.074 1.00 74.23 N ATOM 692 CA ILE A 49 3.231 2.381 -9.274 1.00 31.14 C ATOM 693 C ILE A 49 2.504 1.609 -8.178 1.00 13.23 C ATOM 694 O ILE A 49 1.731 0.692 -8.457 1.00 10.24 O ATOM 695 CB ILE A 49 2.194 3.115 -10.144 1.00 34.02 C ATOM 696 CG1 ILE A 49 2.884 3.823 -11.311 1.00 64.12 C ATOM 697 CG2 ILE A 49 1.407 4.111 -9.304 1.00 23.50 C ATOM 698 CD1 ILE A 49 1.926 4.540 -12.236 1.00 34.13 C ATOM 0 H ILE A 49 3.548 0.842 -10.661 1.00 74.23 H new ATOM 0 HA ILE A 49 3.895 3.115 -8.819 1.00 31.14 H new ATOM 0 HB ILE A 49 1.498 2.381 -10.549 1.00 34.02 H new ATOM 0 HG12 ILE A 49 3.601 4.542 -10.916 1.00 64.12 H new ATOM 0 HG13 ILE A 49 3.451 3.090 -11.886 1.00 64.12 H new ATOM 0 HG21 ILE A 49 0.678 4.622 -9.933 1.00 23.50 H new ATOM 0 HG22 ILE A 49 0.889 3.583 -8.504 1.00 23.50 H new ATOM 0 HG23 ILE A 49 2.090 4.843 -8.873 1.00 23.50 H new ATOM 0 HD11 ILE A 49 2.486 5.019 -13.040 1.00 34.13 H new ATOM 0 HD12 ILE A 49 1.224 3.822 -12.660 1.00 34.13 H new ATOM 0 HD13 ILE A 49 1.377 5.297 -11.676 1.00 34.13 H new ATOM 710 N LYS A 50 2.755 1.988 -6.929 1.00 72.31 N ATOM 711 CA LYS A 50 2.122 1.334 -5.789 1.00 44.42 C ATOM 712 C LYS A 50 2.542 -0.129 -5.699 1.00 64.21 C ATOM 713 O LYS A 50 1.841 -1.018 -6.184 1.00 42.05 O ATOM 714 CB LYS A 50 0.599 1.433 -5.899 1.00 42.02 C ATOM 715 CG LYS A 50 -0.021 2.400 -4.906 1.00 0.32 C ATOM 716 CD LYS A 50 -0.511 3.665 -5.591 1.00 3.24 C ATOM 717 CE LYS A 50 -1.477 4.439 -4.707 1.00 74.31 C ATOM 718 NZ LYS A 50 -2.594 5.032 -5.494 1.00 1.44 N ATOM 0 H LYS A 50 3.392 2.745 -6.680 1.00 72.31 H new ATOM 0 HA LYS A 50 2.448 1.844 -4.882 1.00 44.42 H new ATOM 0 HB2 LYS A 50 0.336 1.745 -6.910 1.00 42.02 H new ATOM 0 HB3 LYS A 50 0.167 0.444 -5.748 1.00 42.02 H new ATOM 0 HG2 LYS A 50 -0.854 1.915 -4.396 1.00 0.32 H new ATOM 0 HG3 LYS A 50 0.713 2.659 -4.143 1.00 0.32 H new ATOM 0 HD2 LYS A 50 0.341 4.297 -5.842 1.00 3.24 H new ATOM 0 HD3 LYS A 50 -1.002 3.405 -6.529 1.00 3.24 H new ATOM 0 HE2 LYS A 50 -1.883 3.775 -3.944 1.00 74.31 H new ATOM 0 HE3 LYS A 50 -0.938 5.231 -4.187 1.00 74.31 H new ATOM 0 HZ1 LYS A 50 -3.231 5.551 -4.856 1.00 1.44 H new ATOM 0 HZ2 LYS A 50 -2.209 5.685 -6.206 1.00 1.44 H new ATOM 0 HZ3 LYS A 50 -3.124 4.274 -5.970 1.00 1.44 H new ATOM 732 N LEU A 51 3.689 -0.373 -5.074 1.00 60.43 N ATOM 733 CA LEU A 51 4.202 -1.730 -4.919 1.00 32.30 C ATOM 734 C LEU A 51 4.183 -2.155 -3.454 1.00 72.21 C ATOM 735 O LEU A 51 4.550 -1.396 -2.557 1.00 51.22 O ATOM 736 CB LEU A 51 5.625 -1.825 -5.471 1.00 3.12 C ATOM 737 CG LEU A 51 6.039 -3.186 -6.031 1.00 31.30 C ATOM 738 CD1 LEU A 51 5.150 -3.574 -7.202 1.00 74.21 C ATOM 739 CD2 LEU A 51 7.501 -3.168 -6.452 1.00 40.24 C ATOM 0 H LEU A 51 4.281 0.351 -4.667 1.00 60.43 H new ATOM 0 HA LEU A 51 3.555 -2.403 -5.482 1.00 32.30 H new ATOM 0 HB2 LEU A 51 5.738 -1.081 -6.259 1.00 3.12 H new ATOM 0 HB3 LEU A 51 6.320 -1.555 -4.676 1.00 3.12 H new ATOM 0 HG LEU A 51 5.917 -3.932 -5.246 1.00 31.30 H new ATOM 0 HD11 LEU A 51 5.460 -4.545 -7.588 1.00 74.21 H new ATOM 0 HD12 LEU A 51 4.113 -3.629 -6.869 1.00 74.21 H new ATOM 0 HD13 LEU A 51 5.239 -2.826 -7.990 1.00 74.21 H new ATOM 0 HD21 LEU A 51 7.778 -4.145 -6.848 1.00 40.24 H new ATOM 0 HD22 LEU A 51 7.649 -2.410 -7.221 1.00 40.24 H new ATOM 0 HD23 LEU A 51 8.125 -2.936 -5.589 1.00 40.24 H new ATOM 751 N PRO A 52 3.747 -3.399 -3.204 1.00 51.30 N ATOM 752 CA PRO A 52 3.672 -3.954 -1.849 1.00 44.04 C ATOM 753 C PRO A 52 5.051 -4.212 -1.252 1.00 4.01 C ATOM 754 O PRO A 52 6.027 -4.405 -1.978 1.00 74.21 O ATOM 755 CB PRO A 52 2.920 -5.272 -2.047 1.00 62.43 C ATOM 756 CG PRO A 52 3.186 -5.651 -3.463 1.00 71.24 C ATOM 757 CD PRO A 52 3.294 -4.359 -4.225 1.00 13.25 C ATOM 0 HA PRO A 52 3.185 -3.270 -1.154 1.00 44.04 H new ATOM 0 HB2 PRO A 52 3.276 -6.038 -1.359 1.00 62.43 H new ATOM 0 HB3 PRO A 52 1.852 -5.150 -1.864 1.00 62.43 H new ATOM 0 HG2 PRO A 52 4.105 -6.231 -3.546 1.00 71.24 H new ATOM 0 HG3 PRO A 52 2.382 -6.271 -3.859 1.00 71.24 H new ATOM 0 HD2 PRO A 52 4.005 -4.436 -5.048 1.00 13.25 H new ATOM 0 HD3 PRO A 52 2.337 -4.065 -4.656 1.00 13.25 H new ATOM 765 N ASP A 53 5.125 -4.214 0.074 1.00 23.14 N ATOM 766 CA ASP A 53 6.385 -4.450 0.770 1.00 63.14 C ATOM 767 C ASP A 53 7.025 -5.756 0.307 1.00 11.41 C ATOM 768 O ASP A 53 8.221 -5.805 0.021 1.00 61.12 O ATOM 769 CB ASP A 53 6.159 -4.486 2.282 1.00 61.32 C ATOM 770 CG ASP A 53 7.394 -4.079 3.062 1.00 54.12 C ATOM 771 OD1 ASP A 53 8.169 -3.244 2.551 1.00 60.21 O ATOM 772 OD2 ASP A 53 7.585 -4.595 4.183 1.00 71.52 O ATOM 0 H ASP A 53 4.327 -4.055 0.689 1.00 23.14 H new ATOM 0 HA ASP A 53 7.062 -3.630 0.532 1.00 63.14 H new ATOM 0 HB2 ASP A 53 5.335 -3.821 2.539 1.00 61.32 H new ATOM 0 HB3 ASP A 53 5.861 -5.492 2.578 1.00 61.32 H new ATOM 777 N SER A 54 6.220 -6.811 0.238 1.00 52.05 N ATOM 778 CA SER A 54 6.708 -8.118 -0.185 1.00 62.33 C ATOM 779 C SER A 54 7.459 -8.016 -1.510 1.00 14.43 C ATOM 780 O SER A 54 8.353 -8.813 -1.793 1.00 51.43 O ATOM 781 CB SER A 54 5.544 -9.102 -0.321 1.00 0.33 C ATOM 782 OG SER A 54 5.759 -10.259 0.469 1.00 44.33 O ATOM 0 H SER A 54 5.227 -6.786 0.470 1.00 52.05 H new ATOM 0 HA SER A 54 7.397 -8.484 0.576 1.00 62.33 H new ATOM 0 HB2 SER A 54 4.616 -8.617 -0.017 1.00 0.33 H new ATOM 0 HB3 SER A 54 5.426 -9.388 -1.366 1.00 0.33 H new ATOM 0 HG SER A 54 5.001 -10.871 0.366 1.00 44.33 H new ATOM 788 N VAL A 55 7.088 -7.027 -2.318 1.00 35.52 N ATOM 789 CA VAL A 55 7.725 -6.818 -3.612 1.00 61.22 C ATOM 790 C VAL A 55 8.588 -5.562 -3.603 1.00 3.31 C ATOM 791 O VAL A 55 8.149 -4.474 -3.977 1.00 2.01 O ATOM 792 CB VAL A 55 6.682 -6.703 -4.740 1.00 11.24 C ATOM 793 CG1 VAL A 55 7.367 -6.624 -6.095 1.00 61.53 C ATOM 794 CG2 VAL A 55 5.712 -7.874 -4.690 1.00 4.03 C ATOM 0 H VAL A 55 6.350 -6.358 -2.099 1.00 35.52 H new ATOM 0 HA VAL A 55 8.356 -7.687 -3.798 1.00 61.22 H new ATOM 0 HB VAL A 55 6.114 -5.784 -4.594 1.00 11.24 H new ATOM 0 HG11 VAL A 55 6.614 -6.543 -6.879 1.00 61.53 H new ATOM 0 HG12 VAL A 55 8.016 -5.749 -6.124 1.00 61.53 H new ATOM 0 HG13 VAL A 55 7.962 -7.523 -6.255 1.00 61.53 H new ATOM 0 HG21 VAL A 55 4.982 -7.777 -5.494 1.00 4.03 H new ATOM 0 HG22 VAL A 55 6.262 -8.807 -4.810 1.00 4.03 H new ATOM 0 HG23 VAL A 55 5.196 -7.878 -3.730 1.00 4.03 H new ATOM 804 N PRO A 56 9.847 -5.712 -3.166 1.00 25.12 N ATOM 805 CA PRO A 56 10.800 -4.600 -3.098 1.00 41.00 C ATOM 806 C PRO A 56 11.233 -4.122 -4.480 1.00 30.50 C ATOM 807 O PRO A 56 10.809 -4.672 -5.497 1.00 41.44 O ATOM 808 CB PRO A 56 11.989 -5.197 -2.342 1.00 24.32 C ATOM 809 CG PRO A 56 11.904 -6.662 -2.598 1.00 63.33 C ATOM 810 CD PRO A 56 10.438 -6.980 -2.705 1.00 3.45 C ATOM 0 HA PRO A 56 10.368 -3.723 -2.616 1.00 41.00 H new ATOM 0 HB2 PRO A 56 12.933 -4.787 -2.701 1.00 24.32 H new ATOM 0 HB3 PRO A 56 11.931 -4.977 -1.276 1.00 24.32 H new ATOM 0 HG2 PRO A 56 12.429 -6.929 -3.515 1.00 63.33 H new ATOM 0 HG3 PRO A 56 12.368 -7.227 -1.789 1.00 63.33 H new ATOM 0 HD2 PRO A 56 10.253 -7.790 -3.411 1.00 3.45 H new ATOM 0 HD3 PRO A 56 10.023 -7.292 -1.746 1.00 3.45 H new ATOM 818 N ILE A 57 12.079 -3.098 -4.509 1.00 32.22 N ATOM 819 CA ILE A 57 12.570 -2.549 -5.766 1.00 53.35 C ATOM 820 C ILE A 57 14.086 -2.677 -5.868 1.00 72.51 C ATOM 821 O ILE A 57 14.734 -3.218 -4.972 1.00 64.44 O ATOM 822 CB ILE A 57 12.180 -1.067 -5.924 1.00 31.12 C ATOM 823 CG1 ILE A 57 12.340 -0.331 -4.592 1.00 13.00 C ATOM 824 CG2 ILE A 57 10.752 -0.946 -6.434 1.00 34.52 C ATOM 825 CD1 ILE A 57 13.782 -0.104 -4.196 1.00 70.32 C ATOM 0 H ILE A 57 12.439 -2.632 -3.676 1.00 32.22 H new ATOM 0 HA ILE A 57 12.105 -3.126 -6.565 1.00 53.35 H new ATOM 0 HB ILE A 57 12.846 -0.607 -6.655 1.00 31.12 H new ATOM 0 HG12 ILE A 57 11.833 0.632 -4.655 1.00 13.00 H new ATOM 0 HG13 ILE A 57 11.842 -0.902 -3.808 1.00 13.00 H new ATOM 0 HG21 ILE A 57 10.492 0.107 -6.540 1.00 34.52 H new ATOM 0 HG22 ILE A 57 10.668 -1.440 -7.402 1.00 34.52 H new ATOM 0 HG23 ILE A 57 10.071 -1.418 -5.726 1.00 34.52 H new ATOM 0 HD11 ILE A 57 13.819 0.423 -3.242 1.00 70.32 H new ATOM 0 HD12 ILE A 57 14.288 -1.064 -4.100 1.00 70.32 H new ATOM 0 HD13 ILE A 57 14.279 0.494 -4.960 1.00 70.32 H new ATOM 837 N ARG A 58 14.645 -2.175 -6.964 1.00 74.13 N ATOM 838 CA ARG A 58 16.085 -2.233 -7.183 1.00 31.31 C ATOM 839 C ARG A 58 16.827 -1.400 -6.142 1.00 51.10 C ATOM 840 O ARG A 58 16.512 -0.229 -5.929 1.00 74.11 O ATOM 841 CB ARG A 58 16.429 -1.737 -8.589 1.00 22.54 C ATOM 842 CG ARG A 58 17.453 -2.602 -9.306 1.00 30.33 C ATOM 843 CD ARG A 58 18.873 -2.218 -8.921 1.00 64.55 C ATOM 844 NE ARG A 58 19.866 -2.880 -9.764 1.00 50.33 N ATOM 845 CZ ARG A 58 21.169 -2.876 -9.506 1.00 30.21 C ATOM 846 NH1 ARG A 58 21.634 -2.250 -8.434 1.00 11.21 N ATOM 847 NH2 ARG A 58 22.010 -3.501 -10.321 1.00 12.24 N ATOM 0 H ARG A 58 14.122 -1.723 -7.714 1.00 74.13 H new ATOM 0 HA ARG A 58 16.401 -3.272 -7.084 1.00 31.31 H new ATOM 0 HB2 ARG A 58 15.517 -1.699 -9.185 1.00 22.54 H new ATOM 0 HB3 ARG A 58 16.809 -0.718 -8.523 1.00 22.54 H new ATOM 0 HG2 ARG A 58 17.280 -3.650 -9.063 1.00 30.33 H new ATOM 0 HG3 ARG A 58 17.327 -2.500 -10.384 1.00 30.33 H new ATOM 0 HD2 ARG A 58 18.991 -1.137 -9.002 1.00 64.55 H new ATOM 0 HD3 ARG A 58 19.050 -2.481 -7.878 1.00 64.55 H new ATOM 0 HE ARG A 58 19.541 -3.372 -10.596 1.00 50.33 H new ATOM 0 HH11 ARG A 58 20.991 -1.770 -7.805 1.00 11.21 H new ATOM 0 HH12 ARG A 58 22.635 -2.249 -8.238 1.00 11.21 H new ATOM 0 HH21 ARG A 58 21.656 -3.985 -11.146 1.00 12.24 H new ATOM 0 HH22 ARG A 58 23.010 -3.497 -10.122 1.00 12.24 H new ATOM 861 N VAL A 59 17.814 -2.012 -5.496 1.00 1.03 N ATOM 862 CA VAL A 59 18.602 -1.327 -4.478 1.00 35.05 C ATOM 863 C VAL A 59 19.966 -0.919 -5.020 1.00 64.25 C ATOM 864 O VAL A 59 20.472 -1.488 -5.989 1.00 2.55 O ATOM 865 CB VAL A 59 18.800 -2.212 -3.232 1.00 51.53 C ATOM 866 CG1 VAL A 59 17.526 -2.260 -2.403 1.00 73.21 C ATOM 867 CG2 VAL A 59 19.236 -3.611 -3.638 1.00 32.54 C ATOM 0 H VAL A 59 18.087 -2.981 -5.659 1.00 1.03 H new ATOM 0 HA VAL A 59 18.045 -0.433 -4.196 1.00 35.05 H new ATOM 0 HB VAL A 59 19.587 -1.775 -2.618 1.00 51.53 H new ATOM 0 HG11 VAL A 59 17.685 -2.890 -1.528 1.00 73.21 H new ATOM 0 HG12 VAL A 59 17.262 -1.252 -2.082 1.00 73.21 H new ATOM 0 HG13 VAL A 59 16.716 -2.673 -3.004 1.00 73.21 H new ATOM 0 HG21 VAL A 59 19.371 -4.223 -2.746 1.00 32.54 H new ATOM 0 HG22 VAL A 59 18.473 -4.060 -4.274 1.00 32.54 H new ATOM 0 HG23 VAL A 59 20.177 -3.554 -4.185 1.00 32.54 H new ATOM 877 N PRO A 60 20.579 0.090 -4.383 1.00 63.54 N ATOM 878 CA PRO A 60 21.895 0.596 -4.784 1.00 63.24 C ATOM 879 C PRO A 60 23.013 -0.399 -4.491 1.00 2.35 C ATOM 880 O PRO A 60 23.431 -0.557 -3.344 1.00 44.44 O ATOM 881 CB PRO A 60 22.064 1.857 -3.934 1.00 3.13 C ATOM 882 CG PRO A 60 21.204 1.627 -2.740 1.00 31.25 C ATOM 883 CD PRO A 60 20.035 0.813 -3.222 1.00 40.21 C ATOM 0 HA PRO A 60 21.952 0.778 -5.857 1.00 63.24 H new ATOM 0 HB2 PRO A 60 23.106 2.006 -3.649 1.00 3.13 H new ATOM 0 HB3 PRO A 60 21.753 2.747 -4.480 1.00 3.13 H new ATOM 0 HG2 PRO A 60 21.752 1.099 -1.960 1.00 31.25 H new ATOM 0 HG3 PRO A 60 20.871 2.572 -2.311 1.00 31.25 H new ATOM 0 HD2 PRO A 60 19.678 0.128 -2.453 1.00 40.21 H new ATOM 0 HD3 PRO A 60 19.193 1.446 -3.501 1.00 40.21 H new ATOM 891 N GLY A 61 23.494 -1.067 -5.534 1.00 71.54 N ATOM 892 CA GLY A 61 24.560 -2.038 -5.367 1.00 35.23 C ATOM 893 C GLY A 61 24.873 -2.783 -6.649 1.00 54.13 C ATOM 894 O GLY A 61 24.564 -2.309 -7.743 1.00 2.31 O ATOM 0 H GLY A 61 23.165 -0.953 -6.493 1.00 71.54 H new ATOM 0 HA2 GLY A 61 25.459 -1.530 -5.017 1.00 35.23 H new ATOM 0 HA3 GLY A 61 24.278 -2.753 -4.595 1.00 35.23 H new ATOM 898 N LYS A 62 25.489 -3.953 -6.517 1.00 52.41 N ATOM 899 CA LYS A 62 25.845 -4.765 -7.674 1.00 20.40 C ATOM 900 C LYS A 62 24.748 -5.779 -7.986 1.00 3.25 C ATOM 901 O LYS A 62 23.882 -6.047 -7.153 1.00 11.04 O ATOM 902 CB LYS A 62 27.169 -5.491 -7.425 1.00 20.41 C ATOM 903 CG LYS A 62 28.393 -4.627 -7.674 1.00 72.03 C ATOM 904 CD LYS A 62 29.598 -5.466 -8.064 1.00 61.24 C ATOM 905 CE LYS A 62 29.697 -5.632 -9.573 1.00 42.21 C ATOM 906 NZ LYS A 62 29.279 -6.992 -10.010 1.00 71.54 N ATOM 0 H LYS A 62 25.752 -4.360 -5.619 1.00 52.41 H new ATOM 0 HA LYS A 62 25.957 -4.102 -8.532 1.00 20.40 H new ATOM 0 HB2 LYS A 62 27.190 -5.848 -6.395 1.00 20.41 H new ATOM 0 HB3 LYS A 62 27.218 -6.370 -8.068 1.00 20.41 H new ATOM 0 HG2 LYS A 62 28.177 -3.909 -8.465 1.00 72.03 H new ATOM 0 HG3 LYS A 62 28.623 -4.053 -6.776 1.00 72.03 H new ATOM 0 HD2 LYS A 62 30.507 -4.996 -7.688 1.00 61.24 H new ATOM 0 HD3 LYS A 62 29.528 -6.446 -7.593 1.00 61.24 H new ATOM 0 HE2 LYS A 62 29.072 -4.885 -10.062 1.00 42.21 H new ATOM 0 HE3 LYS A 62 30.723 -5.447 -9.892 1.00 42.21 H new ATOM 0 HZ1 LYS A 62 29.425 -7.087 -11.035 1.00 71.54 H new ATOM 0 HZ2 LYS A 62 29.847 -7.707 -9.512 1.00 71.54 H new ATOM 0 HZ3 LYS A 62 28.273 -7.134 -9.789 1.00 71.54 H new ATOM 920 N CYS A 63 24.792 -6.340 -9.189 1.00 62.02 N ATOM 921 CA CYS A 63 23.803 -7.325 -9.611 1.00 3.22 C ATOM 922 C CYS A 63 24.382 -8.736 -9.552 1.00 54.23 C ATOM 923 O CYS A 63 25.564 -8.943 -9.821 1.00 25.40 O ATOM 924 CB CYS A 63 23.320 -7.018 -11.030 1.00 23.23 C ATOM 925 SG CYS A 63 22.183 -8.266 -11.714 1.00 14.33 S ATOM 0 H CYS A 63 25.503 -6.129 -9.890 1.00 62.02 H new ATOM 0 HA CYS A 63 22.956 -7.270 -8.927 1.00 3.22 H new ATOM 0 HB2 CYS A 63 22.822 -6.049 -11.031 1.00 23.23 H new ATOM 0 HB3 CYS A 63 24.186 -6.932 -11.687 1.00 23.23 H new ATOM 930 N GLN A 64 23.538 -9.701 -9.200 1.00 4.33 N ATOM 931 CA GLN A 64 23.966 -11.092 -9.106 1.00 0.53 C ATOM 932 C GLN A 64 22.877 -12.031 -9.613 1.00 22.32 C ATOM 933 O GLN A 64 21.807 -11.589 -10.033 1.00 21.52 O ATOM 934 CB GLN A 64 24.325 -11.440 -7.660 1.00 74.31 C ATOM 935 CG GLN A 64 25.732 -11.993 -7.499 1.00 13.44 C ATOM 936 CD GLN A 64 25.789 -13.499 -7.655 1.00 33.42 C ATOM 937 OE1 GLN A 64 26.353 -14.014 -8.621 1.00 55.00 O ATOM 938 NE2 GLN A 64 25.204 -14.216 -6.702 1.00 73.23 N ATOM 0 H GLN A 64 22.555 -9.545 -8.976 1.00 4.33 H new ATOM 0 HA GLN A 64 24.849 -11.218 -9.732 1.00 0.53 H new ATOM 0 HB2 GLN A 64 24.222 -10.547 -7.044 1.00 74.31 H new ATOM 0 HB3 GLN A 64 23.611 -12.172 -7.283 1.00 74.31 H new ATOM 0 HG2 GLN A 64 26.387 -11.530 -8.237 1.00 13.44 H new ATOM 0 HG3 GLN A 64 26.116 -11.719 -6.516 1.00 13.44 H new ATOM 0 HE21 GLN A 64 24.748 -13.748 -5.919 1.00 73.23 H new ATOM 0 HE22 GLN A 64 25.211 -15.235 -6.753 1.00 73.23 H new TER 947 GLN A 64