USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot -120:sc= -1.55 USER MOD Set 1.2: A 72 MET CE :methyl -167:sc= -0.166 (180deg=-0.635) USER MOD Set 2.1: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 36 GLN : amide:sc=-0.00545 K(o=-4.9,f=-4.2!) USER MOD Set 3.2: A 39 ASN : amide:sc= -4.94! K(o=-4.9!,f=-0.94) USER MOD Set 4.1: A 34 SER OG : rot 95:sc= 0.924! USER MOD Set 4.2: A 41 TYR OH : rot -131:sc= -2.04! USER MOD Set 5.1: A 19 TYR OH : rot -59:sc= -2.55! USER MOD Set 5.2: A 32 LYS NZ :NH3+ 155:sc= -0.329 (180deg=-1.38!) USER MOD Set 6.1: A 15 SER OG : rot 170:sc= 0.0104 USER MOD Set 6.2: A 18 HIS : no HD1:sc= -4.21! K(o=-4.2!,f=-2.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.133 (180deg=-0.867) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 95:sc= 0.239 USER MOD Single : A 6 TYR OH : rot 99:sc= 0.855 USER MOD Single : A 11 ASN : amide:sc= -1.99 K(o=-2,f=-4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -70:sc= 1.15 USER MOD Single : A 23 SER OG : rot -150:sc= -2.27 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.33) USER MOD Single : A 47 ASN : amide:sc= -3.04! C(o=-3!,f=-4.7!) USER MOD Single : A 48 GLN : amide:sc= -4.4! C(o=-4.4!,f=-5.3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -7.28! C(o=-7.3!,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= -0.707 (180deg=-1.42) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.08! K(o=-1.1!,f=-0.13) USER MOD Single : A 66 LYS NZ :NH3+ -95:sc= -7.93! (180deg=-8.61!) USER MOD Single : A 68 TYR OH : rot -56:sc= -1.78! USER MOD Single : A 73 MET CE :methyl -153:sc= -1.3 (180deg=-2.78!) USER MOD Single : A 74 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.827 -24.204 -18.233 1.00 0.00 N ATOM 2 CA MET A 1 -15.291 -22.845 -17.868 1.00 0.00 C ATOM 3 C MET A 1 -14.428 -22.283 -16.747 1.00 0.00 C ATOM 4 O MET A 1 -14.932 -21.716 -15.798 1.00 0.00 O ATOM 5 CB MET A 1 -16.748 -22.901 -17.379 1.00 0.00 C ATOM 6 CG MET A 1 -16.888 -24.017 -16.340 1.00 0.00 C ATOM 7 SD MET A 1 -18.497 -24.204 -15.533 1.00 0.00 S ATOM 8 CE MET A 1 -18.105 -25.697 -14.586 1.00 0.00 C ATOM 0 H1 MET A 1 -15.614 -24.738 -18.655 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.049 -24.133 -18.920 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.492 -24.697 -17.381 1.00 0.00 H new ATOM 0 HA MET A 1 -15.218 -22.208 -18.749 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.035 -21.944 -16.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.419 -23.083 -18.218 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.642 -24.962 -16.825 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.139 -23.852 -15.565 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.975 -25.996 -14.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.833 -26.501 -15.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.270 -25.494 -13.915 1.00 0.00 H new ATOM 20 N LYS A 2 -13.136 -22.450 -16.874 1.00 0.00 N ATOM 21 CA LYS A 2 -12.227 -21.929 -15.820 1.00 0.00 C ATOM 22 C LYS A 2 -12.015 -20.425 -15.977 1.00 0.00 C ATOM 23 O LYS A 2 -12.263 -19.864 -17.025 1.00 0.00 O ATOM 24 CB LYS A 2 -10.869 -22.646 -15.947 1.00 0.00 C ATOM 25 CG LYS A 2 -10.093 -22.488 -14.634 1.00 0.00 C ATOM 26 CD LYS A 2 -8.813 -23.326 -14.696 1.00 0.00 C ATOM 27 CE LYS A 2 -8.221 -23.442 -13.290 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.903 -24.135 -13.333 1.00 0.00 N ATOM 0 H LYS A 2 -12.679 -22.920 -17.655 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.673 -22.114 -14.843 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.021 -23.702 -16.169 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.298 -22.225 -16.774 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.847 -21.439 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.709 -22.807 -13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.031 -24.317 -15.095 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.093 -22.863 -15.370 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.102 -22.449 -12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.906 -23.992 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.516 -24.205 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.025 -25.090 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.246 -23.595 -13.932 1.00 0.00 H new ATOM 42 N GLU A 3 -11.558 -19.805 -14.924 1.00 0.00 N ATOM 43 CA GLU A 3 -11.318 -18.339 -14.973 1.00 0.00 C ATOM 44 C GLU A 3 -10.608 -17.888 -13.710 1.00 0.00 C ATOM 45 O GLU A 3 -9.988 -18.681 -13.048 1.00 0.00 O ATOM 46 CB GLU A 3 -12.707 -17.621 -15.082 1.00 0.00 C ATOM 47 CG GLU A 3 -12.588 -16.390 -16.005 1.00 0.00 C ATOM 48 CD GLU A 3 -12.628 -16.841 -17.469 1.00 0.00 C ATOM 49 OE1 GLU A 3 -13.669 -17.353 -17.849 1.00 0.00 O ATOM 50 OE2 GLU A 3 -11.617 -16.648 -18.123 1.00 0.00 O ATOM 0 H GLU A 3 -11.341 -20.252 -14.033 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.693 -18.090 -15.831 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.454 -18.311 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.047 -17.314 -14.093 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.402 -15.693 -15.806 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.658 -15.859 -15.802 1.00 0.00 H new ATOM 57 N THR A 4 -10.711 -16.601 -13.456 1.00 0.00 N ATOM 58 CA THR A 4 -10.075 -15.939 -12.234 1.00 0.00 C ATOM 59 C THR A 4 -9.283 -14.715 -12.640 1.00 0.00 C ATOM 60 O THR A 4 -8.421 -14.783 -13.487 1.00 0.00 O ATOM 61 CB THR A 4 -9.099 -16.901 -11.487 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.907 -17.938 -10.966 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.517 -16.248 -10.219 1.00 0.00 C ATOM 0 H THR A 4 -11.222 -15.952 -14.055 1.00 0.00 H new ATOM 0 HA THR A 4 -10.898 -15.669 -11.572 1.00 0.00 H new ATOM 0 HB THR A 4 -8.308 -17.198 -12.176 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.909 -18.695 -11.588 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.842 -16.948 -9.726 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.968 -15.347 -10.493 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.328 -15.986 -9.539 1.00 0.00 H new ATOM 71 N ARG A 5 -9.610 -13.601 -12.038 1.00 0.00 N ATOM 72 CA ARG A 5 -8.887 -12.340 -12.359 1.00 0.00 C ATOM 73 C ARG A 5 -7.853 -12.123 -11.300 1.00 0.00 C ATOM 74 O ARG A 5 -7.717 -12.934 -10.405 1.00 0.00 O ATOM 75 CB ARG A 5 -9.887 -11.176 -12.379 1.00 0.00 C ATOM 76 CG ARG A 5 -11.120 -11.599 -13.193 1.00 0.00 C ATOM 77 CD ARG A 5 -10.673 -12.065 -14.585 1.00 0.00 C ATOM 78 NE ARG A 5 -11.847 -12.058 -15.503 1.00 0.00 N ATOM 79 CZ ARG A 5 -11.650 -12.080 -16.795 1.00 0.00 C ATOM 80 NH1 ARG A 5 -10.437 -12.255 -17.245 1.00 0.00 N ATOM 81 NH2 ARG A 5 -12.671 -11.924 -17.592 1.00 0.00 N ATOM 0 H ARG A 5 -10.347 -13.513 -11.338 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.408 -12.401 -13.336 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.178 -10.911 -11.363 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.428 -10.291 -12.820 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.650 -12.402 -12.681 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.815 -10.764 -13.282 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.892 -11.408 -14.968 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.247 -13.067 -14.527 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.795 -12.036 -15.127 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.663 -12.372 -16.592 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -10.264 -12.275 -18.250 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.605 -11.788 -17.204 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.536 -11.938 -18.603 1.00 0.00 H new ATOM 95 N TYR A 6 -7.137 -11.047 -11.386 1.00 0.00 N ATOM 96 CA TYR A 6 -6.082 -10.798 -10.348 1.00 0.00 C ATOM 97 C TYR A 6 -5.930 -9.304 -10.034 1.00 0.00 C ATOM 98 O TYR A 6 -6.650 -8.486 -10.571 1.00 0.00 O ATOM 99 CB TYR A 6 -4.772 -11.375 -10.931 1.00 0.00 C ATOM 100 CG TYR A 6 -5.118 -12.658 -11.729 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.366 -13.853 -11.070 1.00 0.00 C ATOM 102 CD2 TYR A 6 -5.246 -12.621 -13.104 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.737 -14.983 -11.780 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.610 -13.751 -13.808 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.857 -14.939 -13.152 1.00 0.00 C ATOM 106 OH TYR A 6 -6.218 -16.067 -13.860 1.00 0.00 O ATOM 0 H TYR A 6 -7.224 -10.334 -12.111 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.348 -11.273 -9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.290 -10.643 -11.579 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.069 -11.604 -10.130 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.269 -13.903 -9.996 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.059 -11.698 -13.634 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.934 -15.906 -11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.702 -13.705 -14.883 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.174 -16.029 -14.070 1.00 0.00 H new ATOM 116 N CYS A 7 -4.986 -8.963 -9.160 1.00 0.00 N ATOM 117 CA CYS A 7 -4.813 -7.524 -8.826 1.00 0.00 C ATOM 118 C CYS A 7 -4.251 -6.760 -9.986 1.00 0.00 C ATOM 119 O CYS A 7 -3.365 -7.216 -10.682 1.00 0.00 O ATOM 120 CB CYS A 7 -3.911 -7.341 -7.560 1.00 0.00 C ATOM 121 SG CYS A 7 -4.281 -5.874 -6.538 1.00 0.00 S ATOM 0 H CYS A 7 -4.355 -9.609 -8.686 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.801 -7.121 -8.601 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.005 -8.230 -6.936 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.871 -7.286 -7.881 1.00 0.00 H new ATOM 126 N ALA A 8 -4.791 -5.596 -10.170 1.00 0.00 N ATOM 127 CA ALA A 8 -4.352 -4.734 -11.265 1.00 0.00 C ATOM 128 C ALA A 8 -2.827 -4.774 -11.452 1.00 0.00 C ATOM 129 O ALA A 8 -2.355 -4.877 -12.565 1.00 0.00 O ATOM 130 CB ALA A 8 -4.802 -3.300 -10.927 1.00 0.00 C ATOM 0 H ALA A 8 -5.534 -5.207 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.793 -5.081 -12.199 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.492 -2.624 -11.724 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.887 -3.273 -10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.346 -2.987 -9.988 1.00 0.00 H new ATOM 136 N VAL A 9 -2.078 -4.726 -10.362 1.00 0.00 N ATOM 137 CA VAL A 9 -0.576 -4.759 -10.514 1.00 0.00 C ATOM 138 C VAL A 9 0.157 -5.161 -9.216 1.00 0.00 C ATOM 139 O VAL A 9 1.108 -5.918 -9.246 1.00 0.00 O ATOM 140 CB VAL A 9 -0.112 -3.304 -10.880 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.429 -3.177 -10.713 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.501 -2.975 -12.338 1.00 0.00 C ATOM 0 H VAL A 9 -2.427 -4.667 -9.405 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.334 -5.500 -11.276 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.605 -2.601 -10.209 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.741 -2.164 -10.969 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.702 -3.390 -9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.926 -3.888 -11.373 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.175 -1.964 -12.582 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.020 -3.684 -13.012 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.583 -3.044 -12.450 1.00 0.00 H new ATOM 152 N CYS A 10 -0.302 -4.650 -8.123 1.00 0.00 N ATOM 153 CA CYS A 10 0.350 -4.968 -6.810 1.00 0.00 C ATOM 154 C CYS A 10 0.679 -6.453 -6.598 1.00 0.00 C ATOM 155 O CYS A 10 1.832 -6.812 -6.590 1.00 0.00 O ATOM 156 CB CYS A 10 -0.563 -4.470 -5.658 1.00 0.00 C ATOM 157 SG CYS A 10 -1.120 -5.685 -4.420 1.00 0.00 S ATOM 0 H CYS A 10 -1.103 -4.021 -8.067 1.00 0.00 H new ATOM 0 HA CYS A 10 1.310 -4.452 -6.816 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.033 -3.676 -5.132 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.449 -4.019 -6.105 1.00 0.00 H new ATOM 162 N ASN A 11 -0.328 -7.295 -6.419 1.00 0.00 N ATOM 163 CA ASN A 11 -0.040 -8.755 -6.201 1.00 0.00 C ATOM 164 C ASN A 11 -0.630 -9.634 -7.284 1.00 0.00 C ATOM 165 O ASN A 11 -0.027 -9.822 -8.321 1.00 0.00 O ATOM 166 CB ASN A 11 -0.656 -9.157 -4.845 1.00 0.00 C ATOM 167 CG ASN A 11 -0.456 -10.659 -4.614 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.326 -11.462 -4.886 1.00 0.00 O ATOM 169 ND2 ASN A 11 0.676 -11.078 -4.114 1.00 0.00 N ATOM 0 H ASN A 11 -1.315 -7.037 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 11 1.040 -8.898 -6.222 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.189 -8.590 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.719 -8.915 -4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.825 -12.074 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.410 -10.409 -3.884 1.00 0.00 H new ATOM 176 N ASP A 12 -1.814 -10.131 -7.042 1.00 0.00 N ATOM 177 CA ASP A 12 -2.448 -10.998 -8.040 1.00 0.00 C ATOM 178 C ASP A 12 -3.858 -11.384 -7.585 1.00 0.00 C ATOM 179 O ASP A 12 -4.692 -10.530 -7.375 1.00 0.00 O ATOM 180 CB ASP A 12 -1.600 -12.289 -8.182 1.00 0.00 C ATOM 181 CG ASP A 12 -2.154 -13.141 -9.325 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.021 -12.690 -10.450 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.680 -14.196 -9.007 1.00 0.00 O ATOM 0 H ASP A 12 -2.357 -9.967 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.510 -10.469 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.559 -12.033 -8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.620 -12.854 -7.250 1.00 0.00 H new ATOM 188 N TYR A 13 -4.087 -12.671 -7.411 1.00 0.00 N ATOM 189 CA TYR A 13 -5.435 -13.135 -6.971 1.00 0.00 C ATOM 190 C TYR A 13 -6.112 -12.154 -6.029 1.00 0.00 C ATOM 191 O TYR A 13 -5.872 -12.146 -4.839 1.00 0.00 O ATOM 192 CB TYR A 13 -5.307 -14.446 -6.236 1.00 0.00 C ATOM 193 CG TYR A 13 -4.695 -15.520 -7.147 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.430 -16.070 -8.179 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.421 -15.995 -6.910 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.905 -17.085 -8.950 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.893 -17.007 -7.685 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.632 -17.561 -8.712 1.00 0.00 C ATOM 199 OH TYR A 13 -3.104 -18.571 -9.490 1.00 0.00 O ATOM 0 H TYR A 13 -3.399 -13.410 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.038 -13.232 -7.874 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.684 -14.314 -5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.288 -14.772 -5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.424 -15.702 -8.384 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.832 -15.571 -6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.495 -17.511 -9.747 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.895 -17.369 -7.487 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.197 -18.781 -9.183 1.00 0.00 H new ATOM 209 N ALA A 14 -6.943 -11.355 -6.595 1.00 0.00 N ATOM 210 CA ALA A 14 -7.682 -10.340 -5.795 1.00 0.00 C ATOM 211 C ALA A 14 -8.939 -10.955 -5.182 1.00 0.00 C ATOM 212 O ALA A 14 -9.592 -11.777 -5.794 1.00 0.00 O ATOM 213 CB ALA A 14 -8.087 -9.182 -6.744 1.00 0.00 C ATOM 0 H ALA A 14 -7.154 -11.352 -7.593 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.048 -9.975 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.631 -8.424 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.192 -8.738 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.723 -9.569 -7.540 1.00 0.00 H new ATOM 219 N SER A 15 -9.255 -10.545 -3.984 1.00 0.00 N ATOM 220 CA SER A 15 -10.463 -11.096 -3.321 1.00 0.00 C ATOM 221 C SER A 15 -11.709 -10.873 -4.176 1.00 0.00 C ATOM 222 O SER A 15 -12.669 -11.611 -4.075 1.00 0.00 O ATOM 223 CB SER A 15 -10.645 -10.380 -1.971 1.00 0.00 C ATOM 224 OG SER A 15 -10.399 -9.015 -2.266 1.00 0.00 O ATOM 0 H SER A 15 -8.732 -9.858 -3.442 1.00 0.00 H new ATOM 0 HA SER A 15 -10.332 -12.169 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.650 -10.527 -1.574 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.948 -10.758 -1.223 1.00 0.00 H new ATOM 0 HG SER A 15 -10.650 -8.463 -1.496 1.00 0.00 H new ATOM 230 N GLY A 16 -11.675 -9.855 -5.003 1.00 0.00 N ATOM 231 CA GLY A 16 -12.864 -9.576 -5.872 1.00 0.00 C ATOM 232 C GLY A 16 -12.944 -8.090 -6.228 1.00 0.00 C ATOM 233 O GLY A 16 -12.086 -7.310 -5.864 1.00 0.00 O ATOM 0 H GLY A 16 -10.889 -9.214 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.800 -10.170 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.775 -9.880 -5.357 1.00 0.00 H new ATOM 237 N TYR A 17 -13.982 -7.734 -6.936 1.00 0.00 N ATOM 238 CA TYR A 17 -14.154 -6.312 -7.334 1.00 0.00 C ATOM 239 C TYR A 17 -14.456 -5.448 -6.108 1.00 0.00 C ATOM 240 O TYR A 17 -14.912 -5.939 -5.096 1.00 0.00 O ATOM 241 CB TYR A 17 -15.352 -6.237 -8.354 1.00 0.00 C ATOM 242 CG TYR A 17 -14.900 -5.598 -9.688 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.755 -6.033 -10.332 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.649 -4.595 -10.271 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.370 -5.475 -11.533 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.263 -4.038 -11.473 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.120 -4.474 -12.114 1.00 0.00 C ATOM 248 OH TYR A 17 -13.735 -3.916 -13.316 1.00 0.00 O ATOM 0 H TYR A 17 -14.716 -8.367 -7.254 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.238 -5.938 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.741 -7.238 -8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.166 -5.653 -7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.157 -6.817 -9.890 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.545 -4.243 -9.782 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.473 -5.825 -12.023 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.860 -3.255 -11.916 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.922 -3.384 -13.184 1.00 0.00 H new ATOM 258 N HIS A 18 -14.195 -4.171 -6.230 1.00 0.00 N ATOM 259 CA HIS A 18 -14.457 -3.252 -5.087 1.00 0.00 C ATOM 260 C HIS A 18 -14.776 -1.852 -5.576 1.00 0.00 C ATOM 261 O HIS A 18 -15.694 -1.218 -5.094 1.00 0.00 O ATOM 262 CB HIS A 18 -13.183 -3.165 -4.235 1.00 0.00 C ATOM 263 CG HIS A 18 -12.852 -4.537 -3.651 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.760 -5.125 -3.795 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.629 -5.381 -2.883 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.755 -6.246 -3.205 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.912 -6.501 -2.590 1.00 0.00 N ATOM 0 H HIS A 18 -13.814 -3.729 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.303 -3.638 -4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.352 -2.809 -4.844 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.322 -2.442 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.642 -5.185 -2.566 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.910 -6.919 -3.200 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.186 -7.318 -2.045 1.00 0.00 H new ATOM 275 N TYR A 19 -14.008 -1.391 -6.537 1.00 0.00 N ATOM 276 CA TYR A 19 -14.237 -0.021 -7.088 1.00 0.00 C ATOM 277 C TYR A 19 -14.349 -0.075 -8.603 1.00 0.00 C ATOM 278 O TYR A 19 -15.075 0.692 -9.202 1.00 0.00 O ATOM 279 CB TYR A 19 -12.993 0.833 -6.723 1.00 0.00 C ATOM 280 CG TYR A 19 -12.920 1.155 -5.191 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.058 1.128 -4.364 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.676 1.388 -4.584 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.945 1.308 -3.010 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.606 1.565 -3.211 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.732 1.526 -2.429 1.00 0.00 C ATOM 286 OH TYR A 19 -12.639 1.702 -1.066 1.00 0.00 O ATOM 0 H TYR A 19 -13.235 -1.905 -6.961 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.156 0.399 -6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.090 0.302 -7.024 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.017 1.765 -7.287 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.032 0.964 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.778 1.429 -5.183 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.831 1.277 -2.394 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.646 1.737 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.182 2.472 -0.798 1.00 0.00 H new ATOM 296 N GLY A 20 -13.632 -0.978 -9.195 1.00 0.00 N ATOM 297 CA GLY A 20 -13.686 -1.095 -10.675 1.00 0.00 C ATOM 298 C GLY A 20 -12.567 -2.003 -11.165 1.00 0.00 C ATOM 299 O GLY A 20 -12.212 -1.985 -12.326 1.00 0.00 O ATOM 0 H GLY A 20 -13.013 -1.638 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.652 -1.496 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.591 -0.109 -11.130 1.00 0.00 H new ATOM 303 N VAL A 21 -12.032 -2.784 -10.263 1.00 0.00 N ATOM 304 CA VAL A 21 -10.931 -3.705 -10.650 1.00 0.00 C ATOM 305 C VAL A 21 -10.880 -4.900 -9.756 1.00 0.00 C ATOM 306 O VAL A 21 -11.337 -4.871 -8.632 1.00 0.00 O ATOM 307 CB VAL A 21 -9.574 -2.972 -10.462 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.413 -1.875 -11.532 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.551 -2.344 -9.060 1.00 0.00 C ATOM 0 H VAL A 21 -12.310 -2.822 -9.282 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.107 -4.011 -11.681 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.752 -3.680 -10.568 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.459 -1.367 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.441 -2.327 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.225 -1.154 -11.439 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.605 -1.824 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.373 -1.635 -8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.659 -3.127 -8.309 1.00 0.00 H new ATOM 319 N TRP A 22 -10.317 -5.932 -10.267 1.00 0.00 N ATOM 320 CA TRP A 22 -10.206 -7.166 -9.459 1.00 0.00 C ATOM 321 C TRP A 22 -8.988 -6.963 -8.609 1.00 0.00 C ATOM 322 O TRP A 22 -7.976 -7.561 -8.835 1.00 0.00 O ATOM 323 CB TRP A 22 -9.983 -8.373 -10.383 1.00 0.00 C ATOM 324 CG TRP A 22 -11.179 -8.530 -11.315 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.172 -8.185 -12.584 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.343 -9.005 -10.958 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.420 -8.472 -12.999 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.233 -9.002 -12.015 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.741 -9.468 -9.723 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.520 -9.465 -11.833 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.028 -9.931 -9.542 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.917 -9.929 -10.597 1.00 0.00 C ATOM 0 H TRP A 22 -9.926 -5.984 -11.208 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.103 -7.353 -8.869 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.071 -8.235 -10.964 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.849 -9.278 -9.790 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.357 -7.769 -13.158 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.738 -8.312 -13.955 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.046 -9.469 -8.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.216 -9.464 -12.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.340 -10.295 -8.574 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.924 -10.291 -10.455 1.00 0.00 H new ATOM 343 N SER A 23 -9.126 -6.090 -7.635 1.00 0.00 N ATOM 344 CA SER A 23 -7.995 -5.775 -6.717 1.00 0.00 C ATOM 345 C SER A 23 -8.147 -6.413 -5.349 1.00 0.00 C ATOM 346 O SER A 23 -9.229 -6.508 -4.808 1.00 0.00 O ATOM 347 CB SER A 23 -7.960 -4.242 -6.583 1.00 0.00 C ATOM 348 OG SER A 23 -7.603 -3.804 -7.883 1.00 0.00 O ATOM 0 H SER A 23 -9.987 -5.580 -7.440 1.00 0.00 H new ATOM 0 HA SER A 23 -7.070 -6.178 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.927 -3.844 -6.277 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.233 -3.921 -5.837 1.00 0.00 H new ATOM 0 HG SER A 23 -7.105 -2.962 -7.819 1.00 0.00 H new ATOM 354 N CYS A 24 -7.029 -6.840 -4.823 1.00 0.00 N ATOM 355 CA CYS A 24 -7.027 -7.487 -3.489 1.00 0.00 C ATOM 356 C CYS A 24 -7.517 -6.545 -2.401 1.00 0.00 C ATOM 357 O CYS A 24 -7.426 -5.339 -2.523 1.00 0.00 O ATOM 358 CB CYS A 24 -5.581 -7.908 -3.175 1.00 0.00 C ATOM 359 SG CYS A 24 -4.412 -6.603 -2.699 1.00 0.00 S ATOM 0 H CYS A 24 -6.114 -6.765 -5.268 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.701 -8.343 -3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.612 -8.642 -2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.180 -8.415 -4.053 1.00 0.00 H new ATOM 364 N GLU A 25 -8.033 -7.124 -1.346 1.00 0.00 N ATOM 365 CA GLU A 25 -8.539 -6.297 -0.228 1.00 0.00 C ATOM 366 C GLU A 25 -7.424 -5.453 0.366 1.00 0.00 C ATOM 367 O GLU A 25 -7.648 -4.341 0.796 1.00 0.00 O ATOM 368 CB GLU A 25 -9.085 -7.234 0.861 1.00 0.00 C ATOM 369 CG GLU A 25 -9.906 -6.416 1.861 1.00 0.00 C ATOM 370 CD GLU A 25 -10.574 -7.363 2.861 1.00 0.00 C ATOM 371 OE1 GLU A 25 -11.471 -8.066 2.424 1.00 0.00 O ATOM 372 OE2 GLU A 25 -10.150 -7.329 4.004 1.00 0.00 O ATOM 0 H GLU A 25 -8.122 -8.132 -1.218 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.319 -5.633 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.704 -8.011 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.263 -7.736 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.263 -5.710 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.661 -5.831 1.336 1.00 0.00 H new ATOM 379 N GLY A 26 -6.237 -5.996 0.383 1.00 0.00 N ATOM 380 CA GLY A 26 -5.096 -5.225 0.950 1.00 0.00 C ATOM 381 C GLY A 26 -5.039 -3.841 0.310 1.00 0.00 C ATOM 382 O GLY A 26 -4.956 -2.840 0.993 1.00 0.00 O ATOM 0 H GLY A 26 -6.010 -6.927 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.209 -5.132 2.030 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.161 -5.757 0.772 1.00 0.00 H new ATOM 386 N CYS A 27 -5.089 -3.812 -0.993 1.00 0.00 N ATOM 387 CA CYS A 27 -5.041 -2.509 -1.694 1.00 0.00 C ATOM 388 C CYS A 27 -6.220 -1.656 -1.282 1.00 0.00 C ATOM 389 O CYS A 27 -6.062 -0.539 -0.893 1.00 0.00 O ATOM 390 CB CYS A 27 -5.117 -2.768 -3.220 1.00 0.00 C ATOM 391 SG CYS A 27 -3.590 -3.204 -4.065 1.00 0.00 S ATOM 0 H CYS A 27 -5.161 -4.632 -1.596 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.117 -1.990 -1.438 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.836 -3.569 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.520 -1.873 -3.694 1.00 0.00 H new ATOM 396 N LYS A 28 -7.380 -2.201 -1.389 1.00 0.00 N ATOM 397 CA LYS A 28 -8.579 -1.427 -1.005 1.00 0.00 C ATOM 398 C LYS A 28 -8.405 -0.853 0.395 1.00 0.00 C ATOM 399 O LYS A 28 -8.755 0.274 0.647 1.00 0.00 O ATOM 400 CB LYS A 28 -9.790 -2.403 -1.033 1.00 0.00 C ATOM 401 CG LYS A 28 -11.030 -1.774 -0.368 1.00 0.00 C ATOM 402 CD LYS A 28 -12.171 -2.795 -0.407 1.00 0.00 C ATOM 403 CE LYS A 28 -13.433 -2.172 0.194 1.00 0.00 C ATOM 404 NZ LYS A 28 -14.577 -3.121 0.099 1.00 0.00 N ATOM 0 H LYS A 28 -7.556 -3.148 -1.725 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.737 -0.596 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.023 -2.668 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.527 -3.327 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.807 -1.494 0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.319 -0.862 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.360 -3.106 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.893 -3.689 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.255 -1.910 1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.675 -1.247 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.426 -2.684 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.756 -3.351 -0.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.349 -3.992 0.619 1.00 0.00 H new ATOM 418 N ALA A 29 -7.869 -1.646 1.277 1.00 0.00 N ATOM 419 CA ALA A 29 -7.666 -1.160 2.665 1.00 0.00 C ATOM 420 C ALA A 29 -6.663 -0.018 2.685 1.00 0.00 C ATOM 421 O ALA A 29 -6.951 1.063 3.157 1.00 0.00 O ATOM 422 CB ALA A 29 -7.113 -2.322 3.508 1.00 0.00 C ATOM 0 H ALA A 29 -7.565 -2.603 1.098 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.615 -0.804 3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.956 -1.986 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.825 -3.147 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.165 -2.658 3.088 1.00 0.00 H new ATOM 428 N PHE A 30 -5.503 -0.285 2.171 1.00 0.00 N ATOM 429 CA PHE A 30 -4.451 0.760 2.138 1.00 0.00 C ATOM 430 C PHE A 30 -4.915 1.933 1.332 1.00 0.00 C ATOM 431 O PHE A 30 -4.733 3.077 1.699 1.00 0.00 O ATOM 432 CB PHE A 30 -3.214 0.154 1.424 1.00 0.00 C ATOM 433 CG PHE A 30 -2.164 1.257 1.148 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.334 2.147 0.088 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.055 1.402 1.973 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.419 3.160 -0.134 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.143 2.418 1.745 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.329 3.294 0.695 1.00 0.00 C ATOM 0 H PHE A 30 -5.236 -1.184 1.771 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.220 1.084 3.153 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.776 -0.629 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.518 -0.312 0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.188 2.044 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.904 0.719 2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.560 3.845 -0.957 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.716 2.525 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.383 4.087 0.523 1.00 0.00 H new ATOM 448 N PHE A 31 -5.503 1.616 0.253 1.00 0.00 N ATOM 449 CA PHE A 31 -6.010 2.649 -0.642 1.00 0.00 C ATOM 450 C PHE A 31 -7.145 3.443 -0.006 1.00 0.00 C ATOM 451 O PHE A 31 -7.213 4.636 -0.166 1.00 0.00 O ATOM 452 CB PHE A 31 -6.510 1.922 -1.895 1.00 0.00 C ATOM 453 CG PHE A 31 -6.954 2.932 -2.963 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.124 3.947 -3.364 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.232 2.875 -3.466 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.563 4.897 -4.231 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.700 3.831 -4.341 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.855 4.852 -4.734 1.00 0.00 C ATOM 0 H PHE A 31 -5.661 0.658 -0.061 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.224 3.368 -0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.719 1.287 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.343 1.269 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.113 3.992 -2.988 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.882 2.065 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.900 5.695 -4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.712 3.783 -4.714 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.197 5.607 -5.426 1.00 0.00 H new ATOM 468 N LYS A 32 -7.998 2.770 0.728 1.00 0.00 N ATOM 469 CA LYS A 32 -9.138 3.488 1.381 1.00 0.00 C ATOM 470 C LYS A 32 -8.623 4.472 2.413 1.00 0.00 C ATOM 471 O LYS A 32 -9.192 5.528 2.611 1.00 0.00 O ATOM 472 CB LYS A 32 -10.052 2.442 2.086 1.00 0.00 C ATOM 473 CG LYS A 32 -11.117 1.947 1.093 1.00 0.00 C ATOM 474 CD LYS A 32 -11.923 0.790 1.719 1.00 0.00 C ATOM 475 CE LYS A 32 -13.020 1.354 2.637 1.00 0.00 C ATOM 476 NZ LYS A 32 -13.894 2.302 1.888 1.00 0.00 N ATOM 0 H LYS A 32 -7.956 1.766 0.902 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.698 4.034 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.455 1.604 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.530 2.889 2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.786 2.765 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.640 1.612 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.371 0.181 0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.259 0.139 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.620 0.538 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.565 1.864 3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.829 2.345 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.463 3.248 1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.001 1.974 0.907 1.00 0.00 H new ATOM 490 N ARG A 33 -7.557 4.110 3.052 1.00 0.00 N ATOM 491 CA ARG A 33 -6.982 5.006 4.080 1.00 0.00 C ATOM 492 C ARG A 33 -6.071 6.045 3.440 1.00 0.00 C ATOM 493 O ARG A 33 -5.667 6.999 4.073 1.00 0.00 O ATOM 494 CB ARG A 33 -6.133 4.127 5.014 1.00 0.00 C ATOM 495 CG ARG A 33 -5.857 4.872 6.343 1.00 0.00 C ATOM 496 CD ARG A 33 -7.025 4.649 7.319 1.00 0.00 C ATOM 497 NE ARG A 33 -6.671 5.262 8.645 1.00 0.00 N ATOM 498 CZ ARG A 33 -6.938 4.617 9.757 1.00 0.00 C ATOM 499 NH1 ARG A 33 -6.151 3.643 10.125 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.981 4.970 10.457 1.00 0.00 N ATOM 0 H ARG A 33 -7.058 3.232 2.908 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.780 5.524 4.612 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.652 3.190 5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.191 3.872 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.928 4.513 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.728 5.938 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.937 5.099 6.926 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.221 3.583 7.436 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.224 6.178 8.681 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.345 3.395 9.552 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.342 3.130 10.986 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.574 5.736 10.138 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.203 4.480 11.323 1.00 0.00 H new ATOM 514 N SER A 34 -5.771 5.834 2.182 1.00 0.00 N ATOM 515 CA SER A 34 -4.873 6.792 1.450 1.00 0.00 C ATOM 516 C SER A 34 -5.511 7.492 0.249 1.00 0.00 C ATOM 517 O SER A 34 -4.841 8.252 -0.416 1.00 0.00 O ATOM 518 CB SER A 34 -3.735 5.961 0.901 1.00 0.00 C ATOM 519 OG SER A 34 -3.082 5.446 2.051 1.00 0.00 O ATOM 0 H SER A 34 -6.105 5.045 1.629 1.00 0.00 H new ATOM 0 HA SER A 34 -4.593 7.572 2.158 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.102 5.159 0.261 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.058 6.565 0.298 1.00 0.00 H new ATOM 0 HG SER A 34 -3.430 4.552 2.252 1.00 0.00 H new ATOM 525 N ILE A 35 -6.754 7.233 -0.034 1.00 0.00 N ATOM 526 CA ILE A 35 -7.371 7.933 -1.230 1.00 0.00 C ATOM 527 C ILE A 35 -7.011 9.404 -1.281 1.00 0.00 C ATOM 528 O ILE A 35 -7.242 10.055 -2.279 1.00 0.00 O ATOM 529 CB ILE A 35 -8.917 7.819 -1.235 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.378 6.423 -0.821 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.416 8.099 -2.685 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.033 5.414 -1.932 1.00 0.00 C ATOM 0 H ILE A 35 -7.363 6.595 0.478 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.961 7.426 -2.104 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.325 8.537 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.895 6.131 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.452 6.424 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.503 8.025 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.112 9.101 -2.987 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.983 7.367 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.363 4.419 -1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.537 5.702 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.955 5.406 -2.094 1.00 0.00 H new ATOM 544 N GLN A 36 -6.486 9.928 -0.220 1.00 0.00 N ATOM 545 CA GLN A 36 -6.130 11.347 -0.267 1.00 0.00 C ATOM 546 C GLN A 36 -4.931 11.512 -1.174 1.00 0.00 C ATOM 547 O GLN A 36 -4.059 10.666 -1.214 1.00 0.00 O ATOM 548 CB GLN A 36 -5.752 11.834 1.127 1.00 0.00 C ATOM 549 CG GLN A 36 -6.960 11.697 2.056 1.00 0.00 C ATOM 550 CD GLN A 36 -6.508 11.899 3.504 1.00 0.00 C ATOM 551 OE1 GLN A 36 -5.393 11.580 3.868 1.00 0.00 O ATOM 552 NE2 GLN A 36 -7.340 12.427 4.359 1.00 0.00 N ATOM 0 H GLN A 36 -6.294 9.443 0.656 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.979 11.923 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.914 11.253 1.513 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.427 12.873 1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.720 12.433 1.794 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.414 10.713 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.277 12.697 4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.054 12.570 5.327 1.00 0.00 H new ATOM 561 N GLY A 37 -4.900 12.583 -1.881 1.00 0.00 N ATOM 562 CA GLY A 37 -3.748 12.825 -2.808 1.00 0.00 C ATOM 563 C GLY A 37 -2.693 13.637 -2.080 1.00 0.00 C ATOM 564 O GLY A 37 -1.620 13.154 -1.772 1.00 0.00 O ATOM 0 H GLY A 37 -5.613 13.312 -1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.329 11.877 -3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.085 13.357 -3.698 1.00 0.00 H new ATOM 568 N HIS A 38 -3.030 14.863 -1.826 1.00 0.00 N ATOM 569 CA HIS A 38 -2.087 15.760 -1.119 1.00 0.00 C ATOM 570 C HIS A 38 -1.862 15.286 0.316 1.00 0.00 C ATOM 571 O HIS A 38 -2.532 15.722 1.232 1.00 0.00 O ATOM 572 CB HIS A 38 -2.696 17.173 -1.088 1.00 0.00 C ATOM 573 CG HIS A 38 -3.319 17.484 -2.450 1.00 0.00 C ATOM 574 ND1 HIS A 38 -2.674 17.709 -3.495 1.00 0.00 N ATOM 575 CD2 HIS A 38 -4.650 17.579 -2.810 1.00 0.00 C ATOM 576 CE1 HIS A 38 -3.444 17.934 -4.476 1.00 0.00 C ATOM 577 NE2 HIS A 38 -4.731 17.872 -4.137 1.00 0.00 N ATOM 0 H HIS A 38 -3.923 15.285 -2.079 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.130 15.758 -1.640 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.452 17.239 -0.306 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.927 17.908 -0.850 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.490 17.443 -2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.096 18.152 -5.475 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.558 18.008 -4.718 1.00 0.00 H new ATOM 585 N ASN A 39 -0.919 14.399 0.481 1.00 0.00 N ATOM 586 CA ASN A 39 -0.615 13.867 1.841 1.00 0.00 C ATOM 587 C ASN A 39 0.863 13.540 1.950 1.00 0.00 C ATOM 588 O ASN A 39 1.538 13.389 0.950 1.00 0.00 O ATOM 589 CB ASN A 39 -1.436 12.594 2.055 1.00 0.00 C ATOM 590 CG ASN A 39 -1.554 12.313 3.559 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.613 12.432 4.142 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.492 11.941 4.220 1.00 0.00 N ATOM 0 H ASN A 39 -0.344 14.018 -0.270 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.867 14.612 2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.427 12.709 1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.960 11.752 1.552 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.554 11.752 5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.400 11.839 3.736 1.00 0.00 H new ATOM 599 N ASP A 40 1.350 13.435 3.153 1.00 0.00 N ATOM 600 CA ASP A 40 2.794 13.117 3.313 1.00 0.00 C ATOM 601 C ASP A 40 3.024 11.652 3.125 1.00 0.00 C ATOM 602 O ASP A 40 2.862 10.859 4.032 1.00 0.00 O ATOM 603 CB ASP A 40 3.257 13.488 4.689 1.00 0.00 C ATOM 604 CG ASP A 40 2.893 14.947 4.985 1.00 0.00 C ATOM 605 OD1 ASP A 40 2.154 15.496 4.184 1.00 0.00 O ATOM 606 OD2 ASP A 40 3.377 15.431 5.996 1.00 0.00 O ATOM 0 H ASP A 40 0.822 13.553 4.018 1.00 0.00 H new ATOM 0 HA ASP A 40 3.349 13.683 2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.795 12.832 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.335 13.349 4.769 1.00 0.00 H new ATOM 611 N TYR A 41 3.396 11.327 1.948 1.00 0.00 N ATOM 612 CA TYR A 41 3.667 9.897 1.586 1.00 0.00 C ATOM 613 C TYR A 41 5.137 9.728 1.254 1.00 0.00 C ATOM 614 O TYR A 41 5.943 9.453 2.118 1.00 0.00 O ATOM 615 CB TYR A 41 2.815 9.529 0.321 1.00 0.00 C ATOM 616 CG TYR A 41 1.413 9.051 0.756 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.698 9.753 1.694 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.893 7.866 0.269 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.499 9.290 2.159 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.325 7.386 0.738 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.025 8.104 1.694 1.00 0.00 C ATOM 622 OH TYR A 41 -2.203 7.632 2.200 1.00 0.00 O ATOM 0 H TYR A 41 3.534 11.992 1.187 1.00 0.00 H new ATOM 0 HA TYR A 41 3.405 9.249 2.422 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.727 10.396 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.315 8.747 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.089 10.687 2.070 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.436 7.310 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.040 9.860 2.900 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.724 6.457 0.358 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.099 6.689 2.447 1.00 0.00 H new ATOM 632 N MET A 42 5.457 9.921 0.005 1.00 0.00 N ATOM 633 CA MET A 42 6.869 9.780 -0.430 1.00 0.00 C ATOM 634 C MET A 42 7.407 8.389 -0.095 1.00 0.00 C ATOM 635 O MET A 42 7.105 7.822 0.935 1.00 0.00 O ATOM 636 CB MET A 42 7.733 10.877 0.290 1.00 0.00 C ATOM 637 CG MET A 42 8.017 12.025 -0.689 1.00 0.00 C ATOM 638 SD MET A 42 9.006 13.416 -0.077 1.00 0.00 S ATOM 639 CE MET A 42 9.726 13.909 -1.664 1.00 0.00 C ATOM 0 H MET A 42 4.798 10.171 -0.733 1.00 0.00 H new ATOM 0 HA MET A 42 6.924 9.910 -1.511 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.206 11.254 1.167 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.669 10.445 0.643 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.524 11.608 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.061 12.418 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.382 14.766 -1.515 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.300 13.079 -2.076 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.929 14.178 -2.357 1.00 0.00 H new ATOM 649 N CYS A 43 8.192 7.871 -0.985 1.00 0.00 N ATOM 650 CA CYS A 43 8.771 6.526 -0.765 1.00 0.00 C ATOM 651 C CYS A 43 9.944 6.603 0.246 1.00 0.00 C ATOM 652 O CYS A 43 10.576 7.635 0.365 1.00 0.00 O ATOM 653 CB CYS A 43 9.302 6.043 -2.121 1.00 0.00 C ATOM 654 SG CYS A 43 8.091 5.872 -3.457 1.00 0.00 S ATOM 0 H CYS A 43 8.460 8.322 -1.860 1.00 0.00 H new ATOM 0 HA CYS A 43 8.019 5.847 -0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.075 6.737 -2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.783 5.076 -1.973 1.00 0.00 H new ATOM 659 N PRO A 44 10.213 5.507 0.980 1.00 0.00 N ATOM 660 CA PRO A 44 11.313 5.503 1.959 1.00 0.00 C ATOM 661 C PRO A 44 12.697 5.658 1.283 1.00 0.00 C ATOM 662 O PRO A 44 13.691 5.198 1.809 1.00 0.00 O ATOM 663 CB PRO A 44 11.216 4.108 2.664 1.00 0.00 C ATOM 664 CG PRO A 44 10.138 3.277 1.891 1.00 0.00 C ATOM 665 CD PRO A 44 9.422 4.251 0.923 1.00 0.00 C ATOM 0 HA PRO A 44 11.223 6.340 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.180 3.600 2.647 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.936 4.224 3.711 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.603 2.459 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.426 2.830 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.393 3.849 -0.090 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.390 4.421 1.228 1.00 0.00 H new ATOM 673 N ALA A 45 12.737 6.296 0.139 1.00 0.00 N ATOM 674 CA ALA A 45 14.038 6.476 -0.554 1.00 0.00 C ATOM 675 C ALA A 45 13.965 7.670 -1.395 1.00 0.00 C ATOM 676 O ALA A 45 14.959 8.313 -1.667 1.00 0.00 O ATOM 677 CB ALA A 45 14.297 5.260 -1.438 1.00 0.00 C ATOM 0 H ALA A 45 11.928 6.695 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 45 14.840 6.584 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.250 5.381 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.329 4.362 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.497 5.167 -2.173 1.00 0.00 H new ATOM 683 N THR A 46 12.795 7.951 -1.821 1.00 0.00 N ATOM 684 CA THR A 46 12.609 9.119 -2.655 1.00 0.00 C ATOM 685 C THR A 46 13.570 9.090 -3.845 1.00 0.00 C ATOM 686 O THR A 46 14.498 9.869 -3.924 1.00 0.00 O ATOM 687 CB THR A 46 12.890 10.350 -1.761 1.00 0.00 C ATOM 688 OG1 THR A 46 11.668 10.597 -1.095 1.00 0.00 O ATOM 689 CG2 THR A 46 13.136 11.637 -2.588 1.00 0.00 C ATOM 0 H THR A 46 11.952 7.413 -1.623 1.00 0.00 H new ATOM 0 HA THR A 46 11.598 9.152 -3.061 1.00 0.00 H new ATOM 0 HB THR A 46 13.758 10.145 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.769 11.371 -0.502 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.328 12.472 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.997 11.491 -3.240 1.00 0.00 H new ATOM 0 HG23 THR A 46 12.256 11.855 -3.193 1.00 0.00 H new ATOM 697 N ASN A 47 13.334 8.175 -4.744 1.00 0.00 N ATOM 698 CA ASN A 47 14.221 8.074 -5.937 1.00 0.00 C ATOM 699 C ASN A 47 13.503 7.400 -7.099 1.00 0.00 C ATOM 700 O ASN A 47 14.098 6.646 -7.841 1.00 0.00 O ATOM 701 CB ASN A 47 15.446 7.226 -5.557 1.00 0.00 C ATOM 702 CG ASN A 47 16.347 8.030 -4.616 1.00 0.00 C ATOM 703 OD1 ASN A 47 16.588 9.202 -4.821 1.00 0.00 O ATOM 704 ND2 ASN A 47 16.864 7.437 -3.573 1.00 0.00 N ATOM 0 H ASN A 47 12.572 7.498 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 47 14.514 9.078 -6.246 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.127 6.303 -5.073 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.998 6.942 -6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 47 17.466 7.959 -2.936 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.665 6.452 -3.395 1.00 0.00 H new ATOM 711 N GLN A 48 12.233 7.688 -7.240 1.00 0.00 N ATOM 712 CA GLN A 48 11.459 7.070 -8.350 1.00 0.00 C ATOM 713 C GLN A 48 11.480 5.547 -8.234 1.00 0.00 C ATOM 714 O GLN A 48 12.451 4.971 -7.786 1.00 0.00 O ATOM 715 CB GLN A 48 12.115 7.493 -9.689 1.00 0.00 C ATOM 716 CG GLN A 48 11.101 7.353 -10.833 1.00 0.00 C ATOM 717 CD GLN A 48 10.863 5.870 -11.125 1.00 0.00 C ATOM 718 OE1 GLN A 48 9.741 5.413 -11.200 1.00 0.00 O ATOM 719 NE2 GLN A 48 11.892 5.087 -11.297 1.00 0.00 N ATOM 0 H GLN A 48 11.706 8.320 -6.638 1.00 0.00 H new ATOM 0 HA GLN A 48 10.422 7.404 -8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.463 8.524 -9.624 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.989 6.873 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.162 7.837 -10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 48 11.473 7.855 -11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.837 5.466 -11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 48 11.752 4.096 -11.493 1.00 0.00 H new ATOM 728 N CYS A 49 10.408 4.916 -8.635 1.00 0.00 N ATOM 729 CA CYS A 49 10.370 3.434 -8.544 1.00 0.00 C ATOM 730 C CYS A 49 8.986 2.892 -8.915 1.00 0.00 C ATOM 731 O CYS A 49 7.999 3.598 -8.850 1.00 0.00 O ATOM 732 CB CYS A 49 10.709 3.040 -7.073 1.00 0.00 C ATOM 733 SG CYS A 49 10.386 4.282 -5.792 1.00 0.00 S ATOM 0 H CYS A 49 9.571 5.358 -9.015 1.00 0.00 H new ATOM 0 HA CYS A 49 11.091 3.007 -9.242 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.144 2.142 -6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.765 2.774 -7.028 1.00 0.00 H new ATOM 738 N THR A 50 8.955 1.636 -9.301 1.00 0.00 N ATOM 739 CA THR A 50 7.664 0.986 -9.689 1.00 0.00 C ATOM 740 C THR A 50 7.461 -0.274 -8.862 1.00 0.00 C ATOM 741 O THR A 50 8.367 -1.072 -8.722 1.00 0.00 O ATOM 742 CB THR A 50 7.743 0.599 -11.169 1.00 0.00 C ATOM 743 OG1 THR A 50 8.080 1.790 -11.849 1.00 0.00 O ATOM 744 CG2 THR A 50 6.356 0.223 -11.711 1.00 0.00 C ATOM 0 H THR A 50 9.774 1.032 -9.363 1.00 0.00 H new ATOM 0 HA THR A 50 6.835 1.673 -9.516 1.00 0.00 H new ATOM 0 HB THR A 50 8.440 -0.229 -11.297 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.149 1.610 -12.810 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.438 -0.048 -12.764 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.963 -0.623 -11.148 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.682 1.073 -11.607 1.00 0.00 H new ATOM 752 N ILE A 51 6.276 -0.443 -8.322 1.00 0.00 N ATOM 753 CA ILE A 51 6.024 -1.662 -7.498 1.00 0.00 C ATOM 754 C ILE A 51 5.662 -2.863 -8.369 1.00 0.00 C ATOM 755 O ILE A 51 5.474 -2.735 -9.562 1.00 0.00 O ATOM 756 CB ILE A 51 4.885 -1.340 -6.477 1.00 0.00 C ATOM 757 CG1 ILE A 51 5.137 -2.114 -5.184 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.475 -1.748 -7.035 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.990 -1.868 -4.205 1.00 0.00 C ATOM 0 H ILE A 51 5.488 0.198 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 51 6.934 -1.932 -6.962 1.00 0.00 H new ATOM 0 HB ILE A 51 4.890 -0.265 -6.298 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.224 -3.179 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.081 -1.800 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.709 -1.509 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.276 -1.200 -7.956 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.460 -2.819 -7.239 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.173 -2.421 -3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.924 -0.803 -3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.053 -2.204 -4.650 1.00 0.00 H new ATOM 771 N ASP A 52 5.571 -4.012 -7.747 1.00 0.00 N ATOM 772 CA ASP A 52 5.229 -5.234 -8.517 1.00 0.00 C ATOM 773 C ASP A 52 4.673 -6.321 -7.607 1.00 0.00 C ATOM 774 O ASP A 52 3.711 -6.973 -7.950 1.00 0.00 O ATOM 775 CB ASP A 52 6.511 -5.763 -9.180 1.00 0.00 C ATOM 776 CG ASP A 52 6.982 -4.769 -10.243 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.214 -4.561 -11.168 1.00 0.00 O ATOM 778 OD2 ASP A 52 8.083 -4.274 -10.071 1.00 0.00 O ATOM 0 H ASP A 52 5.718 -4.151 -6.747 1.00 0.00 H new ATOM 0 HA ASP A 52 4.472 -4.980 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.289 -5.906 -8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.324 -6.736 -9.634 1.00 0.00 H new ATOM 783 N LYS A 53 5.293 -6.504 -6.461 1.00 0.00 N ATOM 784 CA LYS A 53 4.798 -7.554 -5.525 1.00 0.00 C ATOM 785 C LYS A 53 5.533 -7.517 -4.182 1.00 0.00 C ATOM 786 O LYS A 53 6.732 -7.704 -4.121 1.00 0.00 O ATOM 787 CB LYS A 53 5.045 -8.933 -6.166 1.00 0.00 C ATOM 788 CG LYS A 53 4.238 -9.989 -5.411 1.00 0.00 C ATOM 789 CD LYS A 53 4.371 -11.330 -6.133 1.00 0.00 C ATOM 790 CE LYS A 53 3.487 -12.365 -5.437 1.00 0.00 C ATOM 791 NZ LYS A 53 3.668 -13.707 -6.058 1.00 0.00 N ATOM 0 H LYS A 53 6.107 -5.978 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 53 3.739 -7.372 -5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.753 -8.917 -7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.107 -9.178 -6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.599 -10.076 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.190 -9.694 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.076 -11.225 -7.177 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.410 -11.659 -6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.737 -12.411 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.442 -12.064 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.061 -14.398 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.408 -13.662 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.662 -13.999 -5.971 1.00 0.00 H new ATOM 805 N ASN A 54 4.793 -7.273 -3.127 1.00 0.00 N ATOM 806 CA ASN A 54 5.420 -7.220 -1.786 1.00 0.00 C ATOM 807 C ASN A 54 4.348 -7.331 -0.703 1.00 0.00 C ATOM 808 O ASN A 54 4.017 -8.416 -0.266 1.00 0.00 O ATOM 809 CB ASN A 54 6.173 -5.879 -1.638 1.00 0.00 C ATOM 810 CG ASN A 54 5.419 -4.783 -2.386 1.00 0.00 C ATOM 811 OD1 ASN A 54 4.205 -4.766 -2.430 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.100 -3.850 -2.988 1.00 0.00 N ATOM 0 H ASN A 54 3.786 -7.110 -3.145 1.00 0.00 H new ATOM 0 HA ASN A 54 6.117 -8.051 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.265 -5.617 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.185 -5.973 -2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.614 -3.109 -3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.119 -3.860 -2.954 1.00 0.00 H new ATOM 819 N ARG A 55 3.821 -6.208 -0.299 1.00 0.00 N ATOM 820 CA ARG A 55 2.774 -6.226 0.749 1.00 0.00 C ATOM 821 C ARG A 55 2.165 -4.848 0.924 1.00 0.00 C ATOM 822 O ARG A 55 1.195 -4.499 0.280 1.00 0.00 O ATOM 823 CB ARG A 55 3.423 -6.691 2.080 1.00 0.00 C ATOM 824 CG ARG A 55 2.338 -6.841 3.153 1.00 0.00 C ATOM 825 CD ARG A 55 2.999 -7.192 4.488 1.00 0.00 C ATOM 826 NE ARG A 55 1.944 -7.613 5.455 1.00 0.00 N ATOM 827 CZ ARG A 55 1.467 -8.828 5.397 1.00 0.00 C ATOM 828 NH1 ARG A 55 1.720 -9.555 4.343 1.00 0.00 N ATOM 829 NH2 ARG A 55 0.754 -9.273 6.394 1.00 0.00 N ATOM 0 H ARG A 55 4.072 -5.284 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 55 1.977 -6.910 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.938 -7.640 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.172 -5.968 2.404 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.771 -5.915 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.631 -7.620 2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.725 -7.993 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.544 -6.332 4.876 1.00 0.00 H new ATOM 0 HE ARG A 55 1.598 -6.958 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.282 -9.172 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.356 -10.506 4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.577 -8.675 7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.373 -10.219 6.367 1.00 0.00 H new ATOM 843 N ARG A 56 2.749 -4.107 1.776 1.00 0.00 N ATOM 844 CA ARG A 56 2.254 -2.726 2.048 1.00 0.00 C ATOM 845 C ARG A 56 3.203 -1.995 2.989 1.00 0.00 C ATOM 846 O ARG A 56 2.828 -1.037 3.633 1.00 0.00 O ATOM 847 CB ARG A 56 0.854 -2.813 2.716 1.00 0.00 C ATOM 848 CG ARG A 56 0.957 -3.507 4.128 1.00 0.00 C ATOM 849 CD ARG A 56 0.551 -2.517 5.237 1.00 0.00 C ATOM 850 NE ARG A 56 -0.881 -2.150 5.056 1.00 0.00 N ATOM 851 CZ ARG A 56 -1.801 -3.058 5.224 1.00 0.00 C ATOM 852 NH1 ARG A 56 -1.859 -3.694 6.362 1.00 0.00 N ATOM 853 NH2 ARG A 56 -2.631 -3.303 4.249 1.00 0.00 N ATOM 0 H ARG A 56 3.567 -4.385 2.318 1.00 0.00 H new ATOM 0 HA ARG A 56 2.196 -2.180 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.434 -1.813 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.174 -3.376 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.311 -4.384 4.159 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.976 -3.856 4.297 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.704 -2.967 6.218 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.177 -1.626 5.194 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.140 -1.196 4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.191 -3.477 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.572 -4.408 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.554 -2.788 3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.357 -4.010 4.363 1.00 0.00 H new ATOM 867 N LYS A 57 4.432 -2.465 3.048 1.00 0.00 N ATOM 868 CA LYS A 57 5.444 -1.816 3.946 1.00 0.00 C ATOM 869 C LYS A 57 6.767 -1.625 3.220 1.00 0.00 C ATOM 870 O LYS A 57 7.767 -1.278 3.814 1.00 0.00 O ATOM 871 CB LYS A 57 5.662 -2.733 5.176 1.00 0.00 C ATOM 872 CG LYS A 57 6.177 -1.892 6.354 1.00 0.00 C ATOM 873 CD LYS A 57 6.781 -2.819 7.414 1.00 0.00 C ATOM 874 CE LYS A 57 5.717 -3.816 7.878 1.00 0.00 C ATOM 875 NZ LYS A 57 4.409 -3.131 8.074 1.00 0.00 N ATOM 0 H LYS A 57 4.775 -3.265 2.516 1.00 0.00 H new ATOM 0 HA LYS A 57 5.078 -0.836 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.728 -3.225 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.378 -3.519 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.926 -1.181 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.361 -1.311 6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.639 -3.350 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.143 -2.235 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.610 -4.612 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.032 -4.285 8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.823 -3.683 8.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.570 -2.181 8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.919 -3.049 7.160 1.00 0.00 H new ATOM 889 N SER A 58 6.744 -1.857 1.942 1.00 0.00 N ATOM 890 CA SER A 58 7.990 -1.698 1.134 1.00 0.00 C ATOM 891 C SER A 58 8.079 -0.276 0.589 1.00 0.00 C ATOM 892 O SER A 58 8.931 0.491 0.990 1.00 0.00 O ATOM 893 CB SER A 58 7.947 -2.703 -0.046 1.00 0.00 C ATOM 894 OG SER A 58 9.313 -3.015 -0.280 1.00 0.00 O ATOM 0 H SER A 58 5.920 -2.150 1.417 1.00 0.00 H new ATOM 0 HA SER A 58 8.861 -1.891 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.372 -3.593 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.481 -2.264 -0.928 1.00 0.00 H new ATOM 0 HG SER A 58 9.380 -3.655 -1.019 1.00 0.00 H new ATOM 900 N CYS A 59 7.186 0.051 -0.326 1.00 0.00 N ATOM 901 CA CYS A 59 7.185 1.425 -0.925 1.00 0.00 C ATOM 902 C CYS A 59 5.760 2.019 -0.824 1.00 0.00 C ATOM 903 O CYS A 59 5.172 2.433 -1.798 1.00 0.00 O ATOM 904 CB CYS A 59 7.643 1.280 -2.415 1.00 0.00 C ATOM 905 SG CYS A 59 9.009 2.322 -2.974 1.00 0.00 S ATOM 0 H CYS A 59 6.462 -0.575 -0.680 1.00 0.00 H new ATOM 0 HA CYS A 59 7.862 2.099 -0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.924 0.240 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.783 1.483 -3.052 1.00 0.00 H new ATOM 910 N GLN A 60 5.281 2.067 0.395 1.00 0.00 N ATOM 911 CA GLN A 60 3.915 2.607 0.686 1.00 0.00 C ATOM 912 C GLN A 60 3.466 3.689 -0.278 1.00 0.00 C ATOM 913 O GLN A 60 2.315 3.738 -0.641 1.00 0.00 O ATOM 914 CB GLN A 60 3.931 3.201 2.114 1.00 0.00 C ATOM 915 CG GLN A 60 3.867 2.060 3.133 1.00 0.00 C ATOM 916 CD GLN A 60 4.263 2.588 4.516 1.00 0.00 C ATOM 917 OE1 GLN A 60 4.522 1.832 5.430 1.00 0.00 O ATOM 918 NE2 GLN A 60 4.320 3.879 4.710 1.00 0.00 N ATOM 0 H GLN A 60 5.791 1.748 1.219 1.00 0.00 H new ATOM 0 HA GLN A 60 3.212 1.781 0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.835 3.790 2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.085 3.875 2.250 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.860 1.643 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.537 1.253 2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.104 4.520 3.946 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.581 4.246 5.625 1.00 0.00 H new ATOM 927 N ALA A 61 4.355 4.524 -0.699 1.00 0.00 N ATOM 928 CA ALA A 61 3.911 5.598 -1.643 1.00 0.00 C ATOM 929 C ALA A 61 3.616 5.092 -3.055 1.00 0.00 C ATOM 930 O ALA A 61 2.710 5.587 -3.694 1.00 0.00 O ATOM 931 CB ALA A 61 4.963 6.716 -1.689 1.00 0.00 C ATOM 0 H ALA A 61 5.344 4.524 -0.448 1.00 0.00 H new ATOM 0 HA ALA A 61 2.967 5.982 -1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.636 7.495 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.087 7.140 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.914 6.307 -2.030 1.00 0.00 H new ATOM 937 N CYS A 62 4.357 4.134 -3.541 1.00 0.00 N ATOM 938 CA CYS A 62 4.050 3.661 -4.912 1.00 0.00 C ATOM 939 C CYS A 62 2.733 2.913 -4.907 1.00 0.00 C ATOM 940 O CYS A 62 2.046 2.899 -5.894 1.00 0.00 O ATOM 941 CB CYS A 62 5.167 2.714 -5.414 1.00 0.00 C ATOM 942 SG CYS A 62 6.724 3.459 -5.989 1.00 0.00 S ATOM 0 H CYS A 62 5.134 3.675 -3.066 1.00 0.00 H new ATOM 0 HA CYS A 62 3.985 4.524 -5.575 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.406 2.022 -4.606 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.759 2.120 -6.232 1.00 0.00 H new ATOM 947 N ARG A 63 2.393 2.284 -3.796 1.00 0.00 N ATOM 948 CA ARG A 63 1.104 1.553 -3.785 1.00 0.00 C ATOM 949 C ARG A 63 -0.001 2.521 -4.112 1.00 0.00 C ATOM 950 O ARG A 63 -0.809 2.276 -4.971 1.00 0.00 O ATOM 951 CB ARG A 63 0.815 0.987 -2.373 1.00 0.00 C ATOM 952 CG ARG A 63 1.775 -0.168 -2.049 1.00 0.00 C ATOM 953 CD ARG A 63 3.187 0.374 -1.700 1.00 0.00 C ATOM 954 NE ARG A 63 3.688 -0.349 -0.497 1.00 0.00 N ATOM 955 CZ ARG A 63 4.071 -1.594 -0.609 1.00 0.00 C ATOM 956 NH1 ARG A 63 3.254 -2.467 -1.136 1.00 0.00 N ATOM 957 NH2 ARG A 63 5.254 -1.926 -0.189 1.00 0.00 N ATOM 0 H ARG A 63 2.938 2.252 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 63 1.158 0.740 -4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.923 1.777 -1.629 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.216 0.637 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.385 -0.747 -1.212 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.840 -0.844 -2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.867 0.228 -2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.144 1.446 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 63 3.732 0.123 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.330 -2.174 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.540 -3.442 -1.229 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.867 -1.220 0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.571 -2.892 -0.268 1.00 0.00 H new ATOM 971 N LEU A 64 -0.018 3.611 -3.390 1.00 0.00 N ATOM 972 CA LEU A 64 -1.054 4.624 -3.630 1.00 0.00 C ATOM 973 C LEU A 64 -1.061 5.030 -5.072 1.00 0.00 C ATOM 974 O LEU A 64 -1.992 4.759 -5.800 1.00 0.00 O ATOM 975 CB LEU A 64 -0.716 5.881 -2.818 1.00 0.00 C ATOM 976 CG LEU A 64 -1.837 6.942 -2.979 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.217 6.331 -2.556 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.492 8.162 -2.064 1.00 0.00 C ATOM 0 H LEU A 64 0.646 3.832 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.019 4.204 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.599 5.622 -1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.236 6.294 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.905 7.260 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.998 7.082 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.443 5.472 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.170 6.014 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.268 8.921 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.434 7.834 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.533 8.583 -2.365 1.00 0.00 H new ATOM 990 N ARG A 65 0.002 5.687 -5.469 1.00 0.00 N ATOM 991 CA ARG A 65 0.099 6.136 -6.865 1.00 0.00 C ATOM 992 C ARG A 65 -0.277 5.012 -7.785 1.00 0.00 C ATOM 993 O ARG A 65 -0.966 5.215 -8.760 1.00 0.00 O ATOM 994 CB ARG A 65 1.574 6.567 -7.140 1.00 0.00 C ATOM 995 CG ARG A 65 1.748 8.063 -6.793 1.00 0.00 C ATOM 996 CD ARG A 65 1.362 8.935 -8.013 1.00 0.00 C ATOM 997 NE ARG A 65 0.331 8.216 -8.835 1.00 0.00 N ATOM 998 CZ ARG A 65 -0.509 8.906 -9.566 1.00 0.00 C ATOM 999 NH1 ARG A 65 -1.455 9.578 -8.971 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -0.371 8.898 -10.863 1.00 0.00 N ATOM 0 H ARG A 65 0.798 5.925 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.577 6.974 -7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.258 5.963 -6.544 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.825 6.394 -8.186 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.124 8.322 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.781 8.261 -6.506 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.970 9.895 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.244 9.144 -8.618 1.00 0.00 H new ATOM 0 HE ARG A 65 0.285 7.197 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.531 9.560 -7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -2.119 10.121 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.382 8.360 -11.292 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.016 9.429 -11.448 1.00 0.00 H new ATOM 1014 N LYS A 66 0.169 3.835 -7.462 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.174 2.719 -8.320 1.00 0.00 C ATOM 1016 C LYS A 66 -1.650 2.543 -8.266 1.00 0.00 C ATOM 1017 O LYS A 66 -2.277 2.339 -9.264 1.00 0.00 O ATOM 1018 CB LYS A 66 0.522 1.437 -7.809 1.00 0.00 C ATOM 1019 CG LYS A 66 1.995 1.431 -8.284 1.00 0.00 C ATOM 1020 CD LYS A 66 2.079 0.824 -9.705 1.00 0.00 C ATOM 1021 CE LYS A 66 3.347 1.334 -10.407 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.440 1.535 -9.420 1.00 0.00 N ATOM 0 H LYS A 66 0.746 3.617 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 66 0.152 2.908 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.479 1.395 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.004 0.554 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.391 2.447 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.608 0.852 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.096 -0.264 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.196 1.099 -10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.662 0.619 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.134 2.272 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.453 2.529 -9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.281 0.921 -8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.352 1.296 -9.859 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.196 2.692 -7.086 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.638 2.534 -6.953 1.00 0.00 C ATOM 1038 C CYS A 67 -4.334 3.554 -7.811 1.00 0.00 C ATOM 1039 O CYS A 67 -5.299 3.257 -8.469 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.016 2.697 -5.474 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.849 1.292 -4.721 1.00 0.00 S ATOM 0 H CYS A 67 -1.694 2.914 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.949 1.544 -7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.108 2.904 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.659 3.572 -5.377 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.019 1.661 -4.290 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.863 4.754 -7.780 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.525 5.757 -8.616 1.00 0.00 C ATOM 1049 C TYR A 68 -4.218 5.397 -10.052 1.00 0.00 C ATOM 1050 O TYR A 68 -4.980 5.690 -10.950 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.947 7.169 -8.315 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.298 7.683 -6.873 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.568 7.508 -6.304 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.355 8.422 -6.158 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.870 8.064 -5.065 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.678 8.985 -4.928 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.923 8.805 -4.380 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.215 9.349 -3.157 1.00 0.00 O ATOM 0 H TYR A 68 -3.069 5.075 -7.226 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.598 5.773 -8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.864 7.144 -8.432 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.331 7.877 -9.050 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.317 6.937 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.364 8.558 -6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.850 7.916 -4.635 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.941 9.570 -4.398 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.011 9.916 -3.233 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.084 4.755 -10.243 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.705 4.361 -11.613 1.00 0.00 C ATOM 1070 C GLU A 69 -3.616 3.262 -12.074 1.00 0.00 C ATOM 1071 O GLU A 69 -3.939 3.145 -13.239 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.248 3.859 -11.614 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.674 3.976 -13.030 1.00 0.00 C ATOM 1074 CD GLU A 69 0.782 3.502 -13.030 1.00 0.00 C ATOM 1075 OE1 GLU A 69 1.129 2.824 -12.078 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.463 3.844 -13.982 1.00 0.00 O ATOM 0 H GLU A 69 -2.423 4.497 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.793 5.216 -12.284 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.649 4.445 -10.917 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.208 2.823 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.263 3.376 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.732 5.009 -13.373 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.008 2.474 -11.139 1.00 0.00 N ATOM 1084 CA VAL A 70 -4.919 1.346 -11.468 1.00 0.00 C ATOM 1085 C VAL A 70 -6.164 1.933 -12.034 1.00 0.00 C ATOM 1086 O VAL A 70 -6.976 1.264 -12.641 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.308 0.560 -10.163 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.436 -0.426 -10.474 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.120 -0.229 -9.624 1.00 0.00 C ATOM 0 H VAL A 70 -3.744 2.552 -10.157 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.429 0.667 -12.166 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.626 1.287 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.704 -0.970 -9.568 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.306 0.120 -10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.103 -1.131 -11.235 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.417 -0.763 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.787 -0.945 -10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.305 0.456 -9.389 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.274 3.187 -11.829 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.449 3.900 -12.324 1.00 0.00 C ATOM 1101 C GLY A 71 -8.650 3.465 -11.509 1.00 0.00 C ATOM 1102 O GLY A 71 -9.744 3.353 -12.025 1.00 0.00 O ATOM 0 H GLY A 71 -5.592 3.760 -11.333 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.303 4.977 -12.239 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.608 3.682 -13.380 1.00 0.00 H new ATOM 1106 N MET A 72 -8.431 3.220 -10.224 1.00 0.00 N ATOM 1107 CA MET A 72 -9.582 2.788 -9.384 1.00 0.00 C ATOM 1108 C MET A 72 -10.334 4.034 -8.936 1.00 0.00 C ATOM 1109 O MET A 72 -10.222 5.083 -9.538 1.00 0.00 O ATOM 1110 CB MET A 72 -9.062 2.023 -8.087 1.00 0.00 C ATOM 1111 CG MET A 72 -9.534 0.593 -8.195 1.00 0.00 C ATOM 1112 SD MET A 72 -9.577 -0.460 -6.730 1.00 0.00 S ATOM 1113 CE MET A 72 -8.072 0.112 -6.062 1.00 0.00 C ATOM 0 H MET A 72 -7.533 3.301 -9.747 1.00 0.00 H new ATOM 0 HA MET A 72 -10.224 2.122 -9.961 1.00 0.00 H new ATOM 0 HB2 MET A 72 -7.975 2.066 -8.025 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.452 2.490 -7.182 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.543 0.616 -8.607 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.900 0.098 -8.931 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.754 -0.553 -5.259 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.311 0.129 -6.842 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.209 1.118 -5.666 1.00 0.00 H new ATOM 1123 N MET A 73 -11.071 3.893 -7.896 1.00 0.00 N ATOM 1124 CA MET A 73 -11.828 5.023 -7.375 1.00 0.00 C ATOM 1125 C MET A 73 -12.611 4.583 -6.180 1.00 0.00 C ATOM 1126 O MET A 73 -13.475 3.743 -6.268 1.00 0.00 O ATOM 1127 CB MET A 73 -12.774 5.596 -8.445 1.00 0.00 C ATOM 1128 CG MET A 73 -13.424 4.461 -9.258 1.00 0.00 C ATOM 1129 SD MET A 73 -14.954 4.855 -10.142 1.00 0.00 S ATOM 1130 CE MET A 73 -15.474 3.154 -10.469 1.00 0.00 C ATOM 0 H MET A 73 -11.181 3.022 -7.376 1.00 0.00 H new ATOM 0 HA MET A 73 -11.130 5.810 -7.089 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.548 6.199 -7.969 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.220 6.257 -9.112 1.00 0.00 H new ATOM 0 HG2 MET A 73 -12.695 4.105 -9.985 1.00 0.00 H new ATOM 0 HG3 MET A 73 -13.628 3.633 -8.580 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.090 3.128 -11.368 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.595 2.526 -10.614 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.051 2.781 -9.623 1.00 0.00 H new ATOM 1140 N LYS A 74 -12.294 5.173 -5.084 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.982 4.832 -3.827 1.00 0.00 C ATOM 1142 C LYS A 74 -14.471 4.504 -4.054 1.00 0.00 C ATOM 1143 O LYS A 74 -15.021 3.619 -3.438 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.893 6.049 -2.883 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.043 7.338 -3.703 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.216 8.530 -2.749 1.00 0.00 C ATOM 1147 CE LYS A 74 -12.939 9.830 -3.510 1.00 0.00 C ATOM 1148 NZ LYS A 74 -13.756 9.893 -4.754 1.00 0.00 N ATOM 0 H LYS A 74 -11.574 5.891 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.501 3.951 -3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.674 5.994 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.938 6.047 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.166 7.486 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.903 7.262 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.227 8.541 -2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.533 8.437 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.168 10.686 -2.875 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.880 9.893 -3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.783 10.872 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.333 9.279 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.724 9.572 -4.550 1.00 0.00 H new ATOM 1162 N GLY A 75 -15.083 5.247 -4.925 1.00 0.00 N ATOM 1163 CA GLY A 75 -16.524 5.006 -5.214 1.00 0.00 C ATOM 1164 C GLY A 75 -17.396 5.571 -4.091 1.00 0.00 C ATOM 1165 O GLY A 75 -17.904 4.756 -3.339 1.00 0.00 O ATOM 1166 OXT GLY A 75 -17.505 6.785 -4.050 1.00 0.00 O ATOM 0 H GLY A 75 -14.653 6.009 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.794 5.472 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.706 3.937 -5.321 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.404 -5.469 -4.440 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.478 3.901 -4.561 1.00 0.00 ZN