USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=24 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 36 GLN : amide:sc= -1.92! K(o=-6.2!,f=-0.053) USER MOD Set 1.2: A 39 ASN : amide:sc= -4.32! K(o=-6.2!,f=-0.053) USER MOD Set 2.1: A 34 SER OG : rot 93:sc= 0.728 USER MOD Set 2.2: A 41 TYR OH : rot -142:sc= -1.51! USER MOD Set 3.1: A 32 LYS NZ :NH3+ -155:sc= -0.219 (180deg=-1.02) USER MOD Set 3.2: A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.483 (180deg=-0.488) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0964) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= 0.165 (180deg=-0.593) USER MOD Single : A 4 THR OG1 : rot 103:sc= -0.0666! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -3.56! C(o=-3.6!,f=-4.4!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -86:sc= 1.05 USER MOD Single : A 18 HIS : no HE2:sc= -7.46! C(o=-7.5!,f=-11!) USER MOD Single : A 19 TYR OH : rot 15:sc= -0.567 USER MOD Single : A 23 SER OG : rot 90:sc= -2.4 USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= -0.808 (180deg=-4.05!) USER MOD Single : A 38 HIS : no HD1:sc= -0.687 K(o=-0.69,f=-0.11) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -5.21! C(o=-5.2!,f=-4.5!) USER MOD Single : A 48 GLN : amide:sc= -1.78! K(o=-1.8!,f=-0.035) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.73! C(o=-2.7!,f=-4.6!) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.0509 (180deg=-0.378) USER MOD Single : A 58 SER OG : rot 180:sc= -0.428 USER MOD Single : A 60 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.83) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.0352 (180deg=-0.158) USER MOD Single : A 67 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 68 TYR OH : rot -66:sc= -2.36! USER MOD Single : A 72 MET CE :methyl 166:sc= -1.08 (180deg=-1.31) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.811 -22.506 -15.913 1.00 0.00 N ATOM 2 CA MET A 1 -11.802 -22.615 -17.391 1.00 0.00 C ATOM 3 C MET A 1 -10.907 -21.535 -17.988 1.00 0.00 C ATOM 4 O MET A 1 -10.145 -21.790 -18.900 1.00 0.00 O ATOM 5 CB MET A 1 -13.229 -22.426 -17.937 1.00 0.00 C ATOM 6 CG MET A 1 -13.243 -22.740 -19.435 1.00 0.00 C ATOM 7 SD MET A 1 -14.857 -22.844 -20.248 1.00 0.00 S ATOM 8 CE MET A 1 -15.128 -21.066 -20.440 1.00 0.00 C ATOM 0 H1 MET A 1 -12.281 -23.340 -15.506 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.833 -22.454 -15.563 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.325 -21.647 -15.631 1.00 0.00 H new ATOM 0 HA MET A 1 -11.425 -23.601 -17.664 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.922 -23.081 -17.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.564 -21.403 -17.765 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.657 -21.975 -19.945 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.728 -23.689 -19.585 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.183 -20.878 -20.642 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.837 -20.553 -19.523 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.528 -20.694 -21.270 1.00 0.00 H new ATOM 20 N LYS A 2 -11.015 -20.346 -17.459 1.00 0.00 N ATOM 21 CA LYS A 2 -10.180 -19.233 -17.979 1.00 0.00 C ATOM 22 C LYS A 2 -10.371 -17.980 -17.133 1.00 0.00 C ATOM 23 O LYS A 2 -9.837 -16.932 -17.437 1.00 0.00 O ATOM 24 CB LYS A 2 -10.620 -18.927 -19.421 1.00 0.00 C ATOM 25 CG LYS A 2 -12.140 -18.722 -19.453 1.00 0.00 C ATOM 26 CD LYS A 2 -12.564 -18.301 -20.864 1.00 0.00 C ATOM 27 CE LYS A 2 -13.988 -17.736 -20.816 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.018 -16.463 -20.043 1.00 0.00 N ATOM 0 H LYS A 2 -11.643 -20.101 -16.693 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.131 -19.526 -17.944 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.113 -18.034 -19.787 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.338 -19.747 -20.082 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.649 -19.643 -19.167 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.431 -17.959 -18.731 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.876 -17.552 -21.255 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.522 -19.156 -21.539 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.351 -17.562 -21.829 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.659 -18.463 -20.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.785 -15.858 -20.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.180 -16.671 -19.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.109 -15.969 -20.152 1.00 0.00 H new ATOM 42 N GLU A 3 -11.135 -18.115 -16.082 1.00 0.00 N ATOM 43 CA GLU A 3 -11.384 -16.950 -15.194 1.00 0.00 C ATOM 44 C GLU A 3 -10.248 -16.744 -14.209 1.00 0.00 C ATOM 45 O GLU A 3 -9.206 -17.350 -14.326 1.00 0.00 O ATOM 46 CB GLU A 3 -12.672 -17.220 -14.403 1.00 0.00 C ATOM 47 CG GLU A 3 -13.843 -17.340 -15.378 1.00 0.00 C ATOM 48 CD GLU A 3 -14.204 -15.950 -15.907 1.00 0.00 C ATOM 49 OE1 GLU A 3 -14.270 -15.056 -15.079 1.00 0.00 O ATOM 50 OE2 GLU A 3 -14.394 -15.860 -17.109 1.00 0.00 O ATOM 0 H GLU A 3 -11.595 -18.981 -15.803 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.468 -16.054 -15.810 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.571 -18.137 -13.822 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.854 -16.412 -13.694 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.577 -17.999 -16.205 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.703 -17.786 -14.879 1.00 0.00 H new ATOM 57 N THR A 4 -10.500 -15.864 -13.267 1.00 0.00 N ATOM 58 CA THR A 4 -9.496 -15.519 -12.191 1.00 0.00 C ATOM 59 C THR A 4 -8.715 -14.275 -12.538 1.00 0.00 C ATOM 60 O THR A 4 -7.936 -14.264 -13.471 1.00 0.00 O ATOM 61 CB THR A 4 -8.479 -16.662 -11.970 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.229 -17.858 -12.016 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.910 -16.607 -10.539 1.00 0.00 C ATOM 0 H THR A 4 -11.381 -15.355 -13.192 1.00 0.00 H new ATOM 0 HA THR A 4 -10.077 -15.356 -11.283 1.00 0.00 H new ATOM 0 HB THR A 4 -7.678 -16.592 -12.706 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.098 -18.293 -12.884 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.196 -17.419 -10.400 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.409 -15.652 -10.383 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.723 -16.712 -9.820 1.00 0.00 H new ATOM 71 N ARG A 5 -8.943 -13.237 -11.773 1.00 0.00 N ATOM 72 CA ARG A 5 -8.230 -11.949 -12.010 1.00 0.00 C ATOM 73 C ARG A 5 -7.467 -11.602 -10.781 1.00 0.00 C ATOM 74 O ARG A 5 -7.789 -12.050 -9.697 1.00 0.00 O ATOM 75 CB ARG A 5 -9.239 -10.834 -12.354 1.00 0.00 C ATOM 76 CG ARG A 5 -10.499 -11.451 -13.012 1.00 0.00 C ATOM 77 CD ARG A 5 -11.502 -11.951 -11.927 1.00 0.00 C ATOM 78 NE ARG A 5 -10.822 -12.052 -10.605 1.00 0.00 N ATOM 79 CZ ARG A 5 -11.531 -12.291 -9.536 1.00 0.00 C ATOM 80 NH1 ARG A 5 -12.688 -12.883 -9.666 1.00 0.00 N ATOM 81 NH2 ARG A 5 -11.065 -11.928 -8.375 1.00 0.00 N ATOM 0 H ARG A 5 -9.597 -13.229 -10.990 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.546 -12.051 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.518 -10.292 -11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.781 -10.112 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.983 -10.709 -13.647 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.209 -12.281 -13.656 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.346 -11.265 -11.858 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.903 -12.923 -12.213 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.811 -11.935 -10.536 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.023 -13.150 -10.592 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.256 -13.078 -8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.159 -11.464 -8.312 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.606 -12.107 -7.529 1.00 0.00 H new ATOM 95 N TYR A 6 -6.466 -10.807 -10.960 1.00 0.00 N ATOM 96 CA TYR A 6 -5.614 -10.394 -9.802 1.00 0.00 C ATOM 97 C TYR A 6 -5.608 -8.879 -9.624 1.00 0.00 C ATOM 98 O TYR A 6 -6.207 -8.154 -10.393 1.00 0.00 O ATOM 99 CB TYR A 6 -4.165 -10.904 -10.088 1.00 0.00 C ATOM 100 CG TYR A 6 -4.207 -12.130 -11.050 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.080 -13.193 -10.828 1.00 0.00 C ATOM 102 CD2 TYR A 6 -3.372 -12.183 -12.147 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.107 -14.273 -11.681 1.00 0.00 C ATOM 104 CE2 TYR A 6 -3.401 -13.270 -13.002 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.268 -14.322 -12.774 1.00 0.00 C ATOM 106 OH TYR A 6 -4.294 -15.407 -13.627 1.00 0.00 O ATOM 0 H TYR A 6 -6.190 -10.416 -11.861 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.010 -10.822 -8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.571 -10.105 -10.531 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.678 -11.182 -9.153 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.744 -13.169 -9.976 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.690 -11.368 -12.340 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.790 -15.088 -11.493 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.740 -13.297 -13.856 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.639 -15.275 -14.344 1.00 0.00 H new ATOM 116 N CYS A 7 -4.926 -8.434 -8.604 1.00 0.00 N ATOM 117 CA CYS A 7 -4.863 -6.988 -8.350 1.00 0.00 C ATOM 118 C CYS A 7 -4.460 -6.220 -9.587 1.00 0.00 C ATOM 119 O CYS A 7 -3.851 -6.759 -10.490 1.00 0.00 O ATOM 120 CB CYS A 7 -3.862 -6.719 -7.219 1.00 0.00 C ATOM 121 SG CYS A 7 -4.087 -5.208 -6.272 1.00 0.00 S ATOM 0 H CYS A 7 -4.414 -9.017 -7.942 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.857 -6.647 -8.061 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.898 -7.561 -6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.861 -6.703 -7.650 1.00 0.00 H new ATOM 126 N ALA A 8 -4.808 -4.967 -9.608 1.00 0.00 N ATOM 127 CA ALA A 8 -4.457 -4.141 -10.785 1.00 0.00 C ATOM 128 C ALA A 8 -2.940 -3.916 -10.918 1.00 0.00 C ATOM 129 O ALA A 8 -2.464 -3.616 -11.994 1.00 0.00 O ATOM 130 CB ALA A 8 -5.143 -2.776 -10.648 1.00 0.00 C ATOM 0 H ALA A 8 -5.316 -4.485 -8.867 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.793 -4.674 -11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.894 -2.155 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.223 -2.915 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.800 -2.286 -9.736 1.00 0.00 H new ATOM 136 N VAL A 9 -2.194 -4.060 -9.830 1.00 0.00 N ATOM 137 CA VAL A 9 -0.698 -3.844 -9.938 1.00 0.00 C ATOM 138 C VAL A 9 0.109 -4.777 -9.035 1.00 0.00 C ATOM 139 O VAL A 9 0.858 -5.598 -9.513 1.00 0.00 O ATOM 140 CB VAL A 9 -0.377 -2.384 -9.532 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.167 -2.176 -9.525 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.024 -1.425 -10.547 1.00 0.00 C ATOM 0 H VAL A 9 -2.541 -4.309 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.417 -4.056 -10.970 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.772 -2.182 -8.536 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.394 -1.149 -9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.623 -2.861 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.565 -2.372 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.802 -0.395 -10.267 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.625 -1.625 -11.542 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.104 -1.575 -10.552 1.00 0.00 H new ATOM 152 N CYS A 10 -0.045 -4.630 -7.754 1.00 0.00 N ATOM 153 CA CYS A 10 0.721 -5.510 -6.822 1.00 0.00 C ATOM 154 C CYS A 10 0.696 -6.980 -7.287 1.00 0.00 C ATOM 155 O CYS A 10 1.539 -7.760 -6.898 1.00 0.00 O ATOM 156 CB CYS A 10 0.114 -5.373 -5.405 1.00 0.00 C ATOM 157 SG CYS A 10 -0.988 -6.674 -4.826 1.00 0.00 S ATOM 0 H CYS A 10 -0.660 -3.948 -7.310 1.00 0.00 H new ATOM 0 HA CYS A 10 1.765 -5.198 -6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.938 -5.293 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.433 -4.431 -5.366 1.00 0.00 H new ATOM 162 N ASN A 11 -0.287 -7.322 -8.100 1.00 0.00 N ATOM 163 CA ASN A 11 -0.401 -8.725 -8.619 1.00 0.00 C ATOM 164 C ASN A 11 -0.734 -9.724 -7.533 1.00 0.00 C ATOM 165 O ASN A 11 0.135 -10.369 -6.982 1.00 0.00 O ATOM 166 CB ASN A 11 0.927 -9.150 -9.286 1.00 0.00 C ATOM 167 CG ASN A 11 1.414 -8.042 -10.215 1.00 0.00 C ATOM 168 OD1 ASN A 11 0.649 -7.460 -10.957 1.00 0.00 O ATOM 169 ND2 ASN A 11 2.679 -7.722 -10.211 1.00 0.00 N ATOM 0 H ASN A 11 -1.015 -6.685 -8.424 1.00 0.00 H new ATOM 0 HA ASN A 11 -1.218 -8.725 -9.341 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.679 -9.355 -8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.784 -10.073 -9.849 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.021 -6.986 -10.829 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.326 -8.208 -9.590 1.00 0.00 H new ATOM 176 N ASP A 12 -1.994 -9.831 -7.249 1.00 0.00 N ATOM 177 CA ASP A 12 -2.442 -10.787 -6.200 1.00 0.00 C ATOM 178 C ASP A 12 -3.875 -11.215 -6.501 1.00 0.00 C ATOM 179 O ASP A 12 -4.661 -10.436 -6.988 1.00 0.00 O ATOM 180 CB ASP A 12 -2.394 -10.072 -4.812 1.00 0.00 C ATOM 181 CG ASP A 12 -1.154 -10.528 -4.028 1.00 0.00 C ATOM 182 OD1 ASP A 12 -0.190 -10.875 -4.692 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.243 -10.501 -2.812 1.00 0.00 O ATOM 0 H ASP A 12 -2.739 -9.298 -7.697 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.793 -11.663 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.369 -8.991 -4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.297 -10.300 -4.245 1.00 0.00 H new ATOM 188 N TYR A 13 -4.197 -12.430 -6.202 1.00 0.00 N ATOM 189 CA TYR A 13 -5.578 -12.872 -6.485 1.00 0.00 C ATOM 190 C TYR A 13 -6.555 -11.997 -5.734 1.00 0.00 C ATOM 191 O TYR A 13 -6.607 -12.015 -4.520 1.00 0.00 O ATOM 192 CB TYR A 13 -5.757 -14.319 -6.032 1.00 0.00 C ATOM 193 CG TYR A 13 -4.893 -15.244 -6.904 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.244 -15.514 -8.219 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.760 -15.835 -6.383 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.473 -16.362 -8.987 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.991 -16.681 -7.155 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.341 -16.951 -8.462 1.00 0.00 C ATOM 199 OH TYR A 13 -2.573 -17.799 -9.233 1.00 0.00 O ATOM 0 H TYR A 13 -3.580 -13.125 -5.782 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.764 -12.796 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.473 -14.420 -4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.806 -14.607 -6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.126 -15.058 -8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.473 -15.633 -5.362 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.758 -16.567 -10.008 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.107 -17.136 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.813 -18.123 -8.705 1.00 0.00 H new ATOM 209 N ALA A 14 -7.315 -11.241 -6.468 1.00 0.00 N ATOM 210 CA ALA A 14 -8.304 -10.345 -5.818 1.00 0.00 C ATOM 211 C ALA A 14 -9.563 -11.102 -5.437 1.00 0.00 C ATOM 212 O ALA A 14 -10.046 -11.931 -6.182 1.00 0.00 O ATOM 213 CB ALA A 14 -8.660 -9.225 -6.812 1.00 0.00 C ATOM 0 H ALA A 14 -7.295 -11.204 -7.487 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.872 -9.934 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.387 -8.552 -6.357 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.760 -8.667 -7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.086 -9.662 -7.715 1.00 0.00 H new ATOM 219 N SER A 15 -10.071 -10.803 -4.276 1.00 0.00 N ATOM 220 CA SER A 15 -11.299 -11.489 -3.818 1.00 0.00 C ATOM 221 C SER A 15 -12.470 -11.178 -4.738 1.00 0.00 C ATOM 222 O SER A 15 -13.453 -11.890 -4.754 1.00 0.00 O ATOM 223 CB SER A 15 -11.630 -10.993 -2.401 1.00 0.00 C ATOM 224 OG SER A 15 -10.520 -11.411 -1.620 1.00 0.00 O ATOM 0 H SER A 15 -9.687 -10.114 -3.629 1.00 0.00 H new ATOM 0 HA SER A 15 -11.131 -12.566 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.750 -9.910 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.561 -11.426 -2.034 1.00 0.00 H new ATOM 0 HG SER A 15 -10.650 -11.130 -0.690 1.00 0.00 H new ATOM 230 N GLY A 16 -12.348 -10.114 -5.491 1.00 0.00 N ATOM 231 CA GLY A 16 -13.459 -9.745 -6.421 1.00 0.00 C ATOM 232 C GLY A 16 -13.419 -8.251 -6.758 1.00 0.00 C ATOM 233 O GLY A 16 -12.416 -7.591 -6.574 1.00 0.00 O ATOM 0 H GLY A 16 -11.539 -9.492 -5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.381 -10.330 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.417 -9.993 -5.965 1.00 0.00 H new ATOM 237 N TYR A 17 -14.526 -7.752 -7.253 1.00 0.00 N ATOM 238 CA TYR A 17 -14.602 -6.305 -7.618 1.00 0.00 C ATOM 239 C TYR A 17 -15.046 -5.466 -6.411 1.00 0.00 C ATOM 240 O TYR A 17 -16.163 -5.583 -5.949 1.00 0.00 O ATOM 241 CB TYR A 17 -15.661 -6.163 -8.775 1.00 0.00 C ATOM 242 CG TYR A 17 -15.039 -5.481 -10.015 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.857 -5.943 -10.561 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.677 -4.414 -10.620 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.327 -5.356 -11.690 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.145 -3.827 -11.750 1.00 0.00 C ATOM 247 CZ TYR A 17 -13.966 -4.294 -12.293 1.00 0.00 C ATOM 248 OH TYR A 17 -13.434 -3.706 -13.423 1.00 0.00 O ATOM 0 H TYR A 17 -15.379 -8.285 -7.419 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.622 -5.948 -7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -16.040 -7.148 -9.049 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.513 -5.580 -8.424 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.343 -6.773 -10.099 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.600 -4.037 -10.205 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.403 -5.731 -12.105 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.656 -2.996 -12.213 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.778 -3.027 -13.160 1.00 0.00 H new ATOM 258 N HIS A 18 -14.152 -4.635 -5.926 1.00 0.00 N ATOM 259 CA HIS A 18 -14.491 -3.770 -4.747 1.00 0.00 C ATOM 260 C HIS A 18 -13.977 -2.353 -4.988 1.00 0.00 C ATOM 261 O HIS A 18 -14.013 -1.517 -4.109 1.00 0.00 O ATOM 262 CB HIS A 18 -13.818 -4.359 -3.449 1.00 0.00 C ATOM 263 CG HIS A 18 -13.295 -5.771 -3.711 1.00 0.00 C ATOM 264 ND1 HIS A 18 -12.080 -6.085 -3.841 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.998 -6.956 -3.808 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.955 -7.345 -4.003 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.127 -7.980 -3.998 1.00 0.00 N ATOM 0 H HIS A 18 -13.207 -4.518 -6.293 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.573 -3.746 -4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.998 -3.714 -3.133 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -14.541 -4.378 -2.634 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -11.304 -5.423 -3.820 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -15.072 -7.053 -3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.004 -7.842 -4.130 1.00 0.00 H new ATOM 275 N TYR A 19 -13.514 -2.113 -6.188 1.00 0.00 N ATOM 276 CA TYR A 19 -12.990 -0.762 -6.517 1.00 0.00 C ATOM 277 C TYR A 19 -13.093 -0.516 -8.019 1.00 0.00 C ATOM 278 O TYR A 19 -12.419 0.340 -8.557 1.00 0.00 O ATOM 279 CB TYR A 19 -11.488 -0.729 -6.101 1.00 0.00 C ATOM 280 CG TYR A 19 -11.377 -0.250 -4.664 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.468 -1.148 -3.638 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.288 1.085 -4.376 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.489 -0.724 -2.334 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.317 1.516 -3.064 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.415 0.610 -2.036 1.00 0.00 C ATOM 286 OH TYR A 19 -11.436 1.034 -0.726 1.00 0.00 O ATOM 0 H TYR A 19 -13.478 -2.793 -6.948 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.563 0.004 -5.994 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.049 -1.722 -6.201 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -10.930 -0.066 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.524 -2.204 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.195 1.804 -5.177 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.564 -1.448 -1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.262 2.572 -2.845 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.268 0.272 -0.133 1.00 0.00 H new ATOM 296 N GLY A 20 -13.952 -1.256 -8.667 1.00 0.00 N ATOM 297 CA GLY A 20 -14.106 -1.078 -10.139 1.00 0.00 C ATOM 298 C GLY A 20 -13.002 -1.870 -10.830 1.00 0.00 C ATOM 299 O GLY A 20 -12.852 -1.837 -12.035 1.00 0.00 O ATOM 0 H GLY A 20 -14.548 -1.969 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.086 -1.428 -10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.040 -0.023 -10.404 1.00 0.00 H new ATOM 303 N VAL A 21 -12.250 -2.567 -10.020 1.00 0.00 N ATOM 304 CA VAL A 21 -11.132 -3.392 -10.539 1.00 0.00 C ATOM 305 C VAL A 21 -10.921 -4.581 -9.636 1.00 0.00 C ATOM 306 O VAL A 21 -11.108 -4.492 -8.438 1.00 0.00 O ATOM 307 CB VAL A 21 -9.822 -2.545 -10.507 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.724 -1.659 -11.756 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.835 -1.666 -9.255 1.00 0.00 C ATOM 0 H VAL A 21 -12.369 -2.597 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.368 -3.717 -11.552 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.961 -3.214 -10.489 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.804 -1.075 -11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.718 -2.286 -12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.580 -0.985 -11.792 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.924 -1.068 -9.221 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.702 -1.005 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.889 -2.297 -8.368 1.00 0.00 H new ATOM 319 N TRP A 22 -10.538 -5.670 -10.205 1.00 0.00 N ATOM 320 CA TRP A 22 -10.314 -6.856 -9.347 1.00 0.00 C ATOM 321 C TRP A 22 -9.111 -6.540 -8.473 1.00 0.00 C ATOM 322 O TRP A 22 -8.011 -6.946 -8.765 1.00 0.00 O ATOM 323 CB TRP A 22 -10.003 -8.088 -10.223 1.00 0.00 C ATOM 324 CG TRP A 22 -11.028 -8.222 -11.348 1.00 0.00 C ATOM 325 CD1 TRP A 22 -10.805 -7.840 -12.583 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.220 -8.756 -11.222 1.00 0.00 C ATOM 327 NE1 TRP A 22 -11.939 -8.165 -13.230 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.893 -8.755 -12.430 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.828 -9.288 -10.101 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.165 -9.281 -12.516 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.104 -9.815 -10.190 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.770 -9.810 -11.398 1.00 0.00 C ATOM 0 H TRP A 22 -10.371 -5.797 -11.203 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.197 -7.077 -8.747 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.002 -7.997 -10.645 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -10.010 -8.988 -9.609 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.918 -7.374 -12.986 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.080 -7.990 -14.225 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.307 -9.292 -9.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.687 -9.278 -13.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.579 -10.230 -9.313 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.766 -10.221 -11.467 1.00 0.00 H new ATOM 343 N SER A 23 -9.358 -5.812 -7.404 1.00 0.00 N ATOM 344 CA SER A 23 -8.246 -5.424 -6.467 1.00 0.00 C ATOM 345 C SER A 23 -8.140 -6.344 -5.271 1.00 0.00 C ATOM 346 O SER A 23 -9.085 -6.971 -4.886 1.00 0.00 O ATOM 347 CB SER A 23 -8.524 -3.968 -5.975 1.00 0.00 C ATOM 348 OG SER A 23 -9.769 -3.636 -6.555 1.00 0.00 O ATOM 0 H SER A 23 -10.282 -5.469 -7.139 1.00 0.00 H new ATOM 0 HA SER A 23 -7.301 -5.498 -7.006 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.566 -3.917 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.740 -3.283 -6.297 1.00 0.00 H new ATOM 0 HG SER A 23 -10.493 -3.894 -5.947 1.00 0.00 H new ATOM 354 N CYS A 24 -6.965 -6.397 -4.702 1.00 0.00 N ATOM 355 CA CYS A 24 -6.768 -7.281 -3.509 1.00 0.00 C ATOM 356 C CYS A 24 -7.140 -6.557 -2.217 1.00 0.00 C ATOM 357 O CYS A 24 -6.967 -5.361 -2.092 1.00 0.00 O ATOM 358 CB CYS A 24 -5.295 -7.713 -3.447 1.00 0.00 C ATOM 359 SG CYS A 24 -4.127 -6.585 -2.673 1.00 0.00 S ATOM 0 H CYS A 24 -6.142 -5.876 -5.004 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.417 -8.151 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.246 -8.664 -2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.957 -7.899 -4.466 1.00 0.00 H new ATOM 364 N GLU A 25 -7.646 -7.315 -1.279 1.00 0.00 N ATOM 365 CA GLU A 25 -8.052 -6.727 0.026 1.00 0.00 C ATOM 366 C GLU A 25 -6.992 -5.796 0.602 1.00 0.00 C ATOM 367 O GLU A 25 -7.301 -4.713 1.053 1.00 0.00 O ATOM 368 CB GLU A 25 -8.279 -7.882 1.015 1.00 0.00 C ATOM 369 CG GLU A 25 -9.079 -7.366 2.212 1.00 0.00 C ATOM 370 CD GLU A 25 -9.097 -8.436 3.305 1.00 0.00 C ATOM 371 OE1 GLU A 25 -8.027 -8.686 3.836 1.00 0.00 O ATOM 372 OE2 GLU A 25 -10.180 -8.943 3.548 1.00 0.00 O ATOM 0 H GLU A 25 -7.795 -8.320 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.955 -6.138 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.816 -8.695 0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.323 -8.286 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.633 -6.447 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.097 -7.124 1.907 1.00 0.00 H new ATOM 379 N GLY A 26 -5.770 -6.227 0.583 1.00 0.00 N ATOM 380 CA GLY A 26 -4.687 -5.363 1.133 1.00 0.00 C ATOM 381 C GLY A 26 -4.694 -3.995 0.465 1.00 0.00 C ATOM 382 O GLY A 26 -4.932 -2.992 1.110 1.00 0.00 O ATOM 0 H GLY A 26 -5.470 -7.130 0.216 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.819 -5.248 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.720 -5.842 0.980 1.00 0.00 H new ATOM 386 N CYS A 27 -4.438 -3.971 -0.810 1.00 0.00 N ATOM 387 CA CYS A 27 -4.433 -2.666 -1.506 1.00 0.00 C ATOM 388 C CYS A 27 -5.748 -1.947 -1.282 1.00 0.00 C ATOM 389 O CYS A 27 -5.775 -0.762 -1.120 1.00 0.00 O ATOM 390 CB CYS A 27 -4.228 -2.899 -3.009 1.00 0.00 C ATOM 391 SG CYS A 27 -2.583 -3.424 -3.538 1.00 0.00 S ATOM 0 H CYS A 27 -4.236 -4.786 -1.390 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.624 -2.052 -1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.946 -3.651 -3.337 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.474 -1.975 -3.532 1.00 0.00 H new ATOM 396 N LYS A 28 -6.819 -2.680 -1.279 1.00 0.00 N ATOM 397 CA LYS A 28 -8.130 -2.026 -1.061 1.00 0.00 C ATOM 398 C LYS A 28 -8.111 -1.311 0.294 1.00 0.00 C ATOM 399 O LYS A 28 -8.507 -0.170 0.402 1.00 0.00 O ATOM 400 CB LYS A 28 -9.247 -3.151 -1.120 1.00 0.00 C ATOM 401 CG LYS A 28 -10.138 -3.166 0.156 1.00 0.00 C ATOM 402 CD LYS A 28 -11.329 -4.098 -0.075 1.00 0.00 C ATOM 403 CE LYS A 28 -12.073 -4.294 1.246 1.00 0.00 C ATOM 404 NZ LYS A 28 -11.146 -4.804 2.295 1.00 0.00 N ATOM 0 H LYS A 28 -6.845 -3.690 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.341 -1.279 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.875 -2.991 -1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.773 -4.125 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.558 -3.503 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.487 -2.159 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.998 -3.675 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.986 -5.058 -0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.511 -3.349 1.567 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.895 -4.996 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.583 -5.613 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.254 -5.105 1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.953 -4.050 2.984 1.00 0.00 H new ATOM 418 N ALA A 29 -7.645 -2.001 1.290 1.00 0.00 N ATOM 419 CA ALA A 29 -7.586 -1.392 2.639 1.00 0.00 C ATOM 420 C ALA A 29 -6.684 -0.163 2.620 1.00 0.00 C ATOM 421 O ALA A 29 -7.084 0.918 3.004 1.00 0.00 O ATOM 422 CB ALA A 29 -6.998 -2.445 3.609 1.00 0.00 C ATOM 0 H ALA A 29 -7.303 -2.960 1.228 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.583 -1.087 2.956 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.942 -2.024 4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.638 -3.327 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.998 -2.727 3.278 1.00 0.00 H new ATOM 428 N PHE A 30 -5.489 -0.365 2.170 1.00 0.00 N ATOM 429 CA PHE A 30 -4.517 0.754 2.101 1.00 0.00 C ATOM 430 C PHE A 30 -5.055 1.873 1.256 1.00 0.00 C ATOM 431 O PHE A 30 -4.992 3.032 1.617 1.00 0.00 O ATOM 432 CB PHE A 30 -3.253 0.203 1.413 1.00 0.00 C ATOM 433 CG PHE A 30 -2.254 1.335 1.113 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.440 2.178 0.019 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.142 1.519 1.918 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.529 3.182 -0.254 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.236 2.523 1.636 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.432 3.352 0.555 1.00 0.00 C ATOM 0 H PHE A 30 -5.137 -1.265 1.843 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.316 1.135 3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.782 -0.543 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.528 -0.300 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.301 2.046 -0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.983 0.875 2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.680 3.832 -1.103 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.630 2.658 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.278 4.138 0.342 1.00 0.00 H new ATOM 448 N PHE A 31 -5.571 1.501 0.145 1.00 0.00 N ATOM 449 CA PHE A 31 -6.127 2.500 -0.773 1.00 0.00 C ATOM 450 C PHE A 31 -7.297 3.263 -0.149 1.00 0.00 C ATOM 451 O PHE A 31 -7.415 4.447 -0.343 1.00 0.00 O ATOM 452 CB PHE A 31 -6.600 1.756 -2.033 1.00 0.00 C ATOM 453 CG PHE A 31 -6.994 2.762 -3.100 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.067 3.640 -3.589 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.287 2.814 -3.574 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.408 4.551 -4.520 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.656 3.743 -4.518 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.709 4.619 -4.999 1.00 0.00 C ATOM 0 H PHE A 31 -5.634 0.534 -0.174 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.360 3.237 -1.010 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.806 1.108 -2.405 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.448 1.115 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.051 3.602 -3.225 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.020 2.116 -3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.662 5.235 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.674 3.785 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.977 5.354 -5.744 1.00 0.00 H new ATOM 468 N LYS A 32 -8.121 2.578 0.608 1.00 0.00 N ATOM 469 CA LYS A 32 -9.290 3.277 1.244 1.00 0.00 C ATOM 470 C LYS A 32 -8.829 4.305 2.262 1.00 0.00 C ATOM 471 O LYS A 32 -9.465 5.322 2.452 1.00 0.00 O ATOM 472 CB LYS A 32 -10.186 2.208 1.952 1.00 0.00 C ATOM 473 CG LYS A 32 -11.672 2.585 1.803 1.00 0.00 C ATOM 474 CD LYS A 32 -12.534 1.437 2.331 1.00 0.00 C ATOM 475 CE LYS A 32 -14.000 1.876 2.347 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.163 3.119 3.152 1.00 0.00 N ATOM 0 H LYS A 32 -8.040 1.582 0.812 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.853 3.799 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.006 1.225 1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.923 2.142 3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.885 3.500 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.907 2.782 0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.413 0.556 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.214 1.158 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.346 2.048 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.619 1.082 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.138 3.175 3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.500 3.103 3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.965 3.947 2.555 1.00 0.00 H new ATOM 490 N ARG A 33 -7.737 4.026 2.895 1.00 0.00 N ATOM 491 CA ARG A 33 -7.220 4.980 3.909 1.00 0.00 C ATOM 492 C ARG A 33 -6.319 6.015 3.266 1.00 0.00 C ATOM 493 O ARG A 33 -5.925 6.977 3.895 1.00 0.00 O ATOM 494 CB ARG A 33 -6.380 4.181 4.899 1.00 0.00 C ATOM 495 CG ARG A 33 -5.946 5.094 6.057 1.00 0.00 C ATOM 496 CD ARG A 33 -5.481 4.230 7.233 1.00 0.00 C ATOM 497 NE ARG A 33 -6.668 3.558 7.836 1.00 0.00 N ATOM 498 CZ ARG A 33 -6.523 2.860 8.930 1.00 0.00 C ATOM 499 NH1 ARG A 33 -5.531 3.139 9.730 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.376 1.905 9.185 1.00 0.00 N ATOM 0 H ARG A 33 -7.178 3.184 2.759 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.057 5.487 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.955 3.338 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.504 3.769 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.140 5.753 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.775 5.731 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.759 3.487 6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.978 4.846 7.978 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.585 3.643 7.398 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.884 3.892 9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.403 2.604 10.589 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.139 1.715 8.535 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.280 1.349 10.034 1.00 0.00 H new ATOM 514 N SER A 34 -6.010 5.795 2.013 1.00 0.00 N ATOM 515 CA SER A 34 -5.116 6.755 1.276 1.00 0.00 C ATOM 516 C SER A 34 -5.749 7.391 0.034 1.00 0.00 C ATOM 517 O SER A 34 -5.084 8.142 -0.649 1.00 0.00 O ATOM 518 CB SER A 34 -3.935 5.945 0.792 1.00 0.00 C ATOM 519 OG SER A 34 -3.270 5.540 1.980 1.00 0.00 O ATOM 0 H SER A 34 -6.334 4.997 1.466 1.00 0.00 H new ATOM 0 HA SER A 34 -4.874 7.567 1.962 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.257 5.085 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.281 6.539 0.154 1.00 0.00 H new ATOM 0 HG SER A 34 -3.596 4.657 2.253 1.00 0.00 H new ATOM 525 N ILE A 35 -6.986 7.086 -0.264 1.00 0.00 N ATOM 526 CA ILE A 35 -7.604 7.721 -1.500 1.00 0.00 C ATOM 527 C ILE A 35 -7.257 9.195 -1.616 1.00 0.00 C ATOM 528 O ILE A 35 -7.469 9.792 -2.651 1.00 0.00 O ATOM 529 CB ILE A 35 -9.148 7.591 -1.511 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.599 6.208 -1.042 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.644 7.815 -2.980 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.268 5.157 -2.113 1.00 0.00 C ATOM 0 H ILE A 35 -7.587 6.452 0.262 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.184 7.177 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.568 8.331 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.104 5.953 -0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.671 6.213 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.730 7.728 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.348 8.809 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.199 7.064 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.593 4.174 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.784 5.407 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.192 5.143 -2.289 1.00 0.00 H new ATOM 544 N GLN A 36 -6.765 9.780 -0.573 1.00 0.00 N ATOM 545 CA GLN A 36 -6.424 11.199 -0.693 1.00 0.00 C ATOM 546 C GLN A 36 -5.245 11.321 -1.637 1.00 0.00 C ATOM 547 O GLN A 36 -4.379 10.469 -1.660 1.00 0.00 O ATOM 548 CB GLN A 36 -6.021 11.755 0.667 1.00 0.00 C ATOM 549 CG GLN A 36 -7.196 11.619 1.638 1.00 0.00 C ATOM 550 CD GLN A 36 -6.761 12.087 3.028 1.00 0.00 C ATOM 551 OE1 GLN A 36 -7.550 12.151 3.950 1.00 0.00 O ATOM 552 NE2 GLN A 36 -5.515 12.423 3.222 1.00 0.00 N ATOM 0 H GLN A 36 -6.590 9.346 0.333 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.284 11.755 -1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.154 11.217 1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.731 12.802 0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.041 12.213 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.531 10.582 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.847 12.372 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.209 12.737 4.143 1.00 0.00 H new ATOM 561 N GLY A 37 -5.223 12.361 -2.392 1.00 0.00 N ATOM 562 CA GLY A 37 -4.087 12.552 -3.355 1.00 0.00 C ATOM 563 C GLY A 37 -3.041 13.464 -2.731 1.00 0.00 C ATOM 564 O GLY A 37 -1.982 13.027 -2.327 1.00 0.00 O ATOM 0 H GLY A 37 -5.931 13.095 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.642 11.589 -3.605 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.454 12.985 -4.286 1.00 0.00 H new ATOM 568 N HIS A 38 -3.373 14.718 -2.673 1.00 0.00 N ATOM 569 CA HIS A 38 -2.435 15.704 -2.083 1.00 0.00 C ATOM 570 C HIS A 38 -2.133 15.363 -0.625 1.00 0.00 C ATOM 571 O HIS A 38 -2.673 15.964 0.283 1.00 0.00 O ATOM 572 CB HIS A 38 -3.096 17.091 -2.143 1.00 0.00 C ATOM 573 CG HIS A 38 -2.033 18.170 -1.925 1.00 0.00 C ATOM 574 ND1 HIS A 38 -1.822 19.129 -2.696 1.00 0.00 N ATOM 575 CD2 HIS A 38 -1.125 18.319 -0.895 1.00 0.00 C ATOM 576 CE1 HIS A 38 -0.885 19.869 -2.272 1.00 0.00 C ATOM 577 NE2 HIS A 38 -0.374 19.432 -1.121 1.00 0.00 N ATOM 0 H HIS A 38 -4.255 15.104 -3.009 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.500 15.689 -2.643 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.582 17.233 -3.108 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.872 17.170 -1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.026 17.658 -0.046 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.539 20.754 -2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.380 19.827 -0.559 1.00 0.00 H new ATOM 585 N ASN A 39 -1.270 14.399 -0.432 1.00 0.00 N ATOM 586 CA ASN A 39 -0.900 13.984 0.955 1.00 0.00 C ATOM 587 C ASN A 39 0.580 13.650 1.021 1.00 0.00 C ATOM 588 O ASN A 39 1.195 13.352 0.016 1.00 0.00 O ATOM 589 CB ASN A 39 -1.719 12.739 1.317 1.00 0.00 C ATOM 590 CG ASN A 39 -1.800 12.607 2.844 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.844 12.790 3.439 1.00 0.00 O ATOM 592 ND2 ASN A 39 -0.724 12.294 3.510 1.00 0.00 N ATOM 0 H ASN A 39 -0.804 13.880 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.108 14.795 1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.721 12.814 0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.257 11.849 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.761 12.204 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.155 12.139 3.016 1.00 0.00 H new ATOM 599 N ASP A 40 1.133 13.702 2.198 1.00 0.00 N ATOM 600 CA ASP A 40 2.581 13.384 2.322 1.00 0.00 C ATOM 601 C ASP A 40 2.769 11.903 2.287 1.00 0.00 C ATOM 602 O ASP A 40 2.504 11.207 3.247 1.00 0.00 O ATOM 603 CB ASP A 40 3.118 13.897 3.631 1.00 0.00 C ATOM 604 CG ASP A 40 2.780 15.381 3.779 1.00 0.00 C ATOM 605 OD1 ASP A 40 3.120 16.108 2.862 1.00 0.00 O ATOM 606 OD2 ASP A 40 2.199 15.703 4.803 1.00 0.00 O ATOM 0 H ASP A 40 0.656 13.946 3.066 1.00 0.00 H new ATOM 0 HA ASP A 40 3.112 13.857 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.689 13.332 4.458 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.198 13.754 3.674 1.00 0.00 H new ATOM 611 N TYR A 41 3.222 11.448 1.176 1.00 0.00 N ATOM 612 CA TYR A 41 3.457 9.981 0.985 1.00 0.00 C ATOM 613 C TYR A 41 4.910 9.716 0.608 1.00 0.00 C ATOM 614 O TYR A 41 5.562 10.543 0.001 1.00 0.00 O ATOM 615 CB TYR A 41 2.537 9.490 -0.188 1.00 0.00 C ATOM 616 CG TYR A 41 1.152 9.047 0.357 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.427 9.860 1.200 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.650 7.804 0.040 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.767 9.442 1.730 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.557 7.368 0.572 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.274 8.192 1.426 1.00 0.00 C ATOM 622 OH TYR A 41 -2.459 7.768 1.982 1.00 0.00 O ATOM 0 H TYR A 41 3.449 12.026 0.367 1.00 0.00 H new ATOM 0 HA TYR A 41 3.232 9.454 1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.409 10.290 -0.917 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.013 8.659 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.804 10.841 1.447 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.201 7.161 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.317 10.096 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.936 6.389 0.321 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.398 6.813 2.193 1.00 0.00 H new ATOM 632 N MET A 42 5.383 8.569 0.980 1.00 0.00 N ATOM 633 CA MET A 42 6.780 8.213 0.662 1.00 0.00 C ATOM 634 C MET A 42 7.062 8.351 -0.834 1.00 0.00 C ATOM 635 O MET A 42 6.294 8.935 -1.572 1.00 0.00 O ATOM 636 CB MET A 42 7.036 6.735 1.130 1.00 0.00 C ATOM 637 CG MET A 42 8.415 6.629 1.803 1.00 0.00 C ATOM 638 SD MET A 42 8.969 4.979 2.308 1.00 0.00 S ATOM 639 CE MET A 42 8.346 5.030 4.009 1.00 0.00 C ATOM 0 H MET A 42 4.859 7.860 1.493 1.00 0.00 H new ATOM 0 HA MET A 42 7.451 8.896 1.183 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.257 6.425 1.827 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.986 6.060 0.275 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.157 7.039 1.118 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.409 7.268 2.686 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.584 4.093 4.512 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.813 5.857 4.543 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.265 5.170 3.997 1.00 0.00 H new ATOM 649 N CYS A 43 8.164 7.797 -1.232 1.00 0.00 N ATOM 650 CA CYS A 43 8.583 7.851 -2.671 1.00 0.00 C ATOM 651 C CYS A 43 8.175 9.178 -3.340 1.00 0.00 C ATOM 652 O CYS A 43 7.354 9.194 -4.235 1.00 0.00 O ATOM 653 CB CYS A 43 7.911 6.691 -3.425 1.00 0.00 C ATOM 654 SG CYS A 43 7.988 5.051 -2.653 1.00 0.00 S ATOM 0 H CYS A 43 8.809 7.299 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 43 9.669 7.772 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.862 6.946 -3.573 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.365 6.622 -4.413 1.00 0.00 H new ATOM 659 N PRO A 44 8.767 10.281 -2.883 1.00 0.00 N ATOM 660 CA PRO A 44 8.454 11.593 -3.445 1.00 0.00 C ATOM 661 C PRO A 44 8.919 11.675 -4.908 1.00 0.00 C ATOM 662 O PRO A 44 9.984 12.179 -5.203 1.00 0.00 O ATOM 663 CB PRO A 44 9.236 12.614 -2.549 1.00 0.00 C ATOM 664 CG PRO A 44 10.099 11.775 -1.542 1.00 0.00 C ATOM 665 CD PRO A 44 9.765 10.279 -1.791 1.00 0.00 C ATOM 0 HA PRO A 44 7.383 11.797 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.871 13.255 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.545 13.266 -2.014 1.00 0.00 H new ATOM 0 HG2 PRO A 44 11.162 11.963 -1.696 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.871 12.055 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.656 9.718 -2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.364 9.810 -0.892 1.00 0.00 H new ATOM 673 N ALA A 45 8.107 11.166 -5.791 1.00 0.00 N ATOM 674 CA ALA A 45 8.472 11.201 -7.220 1.00 0.00 C ATOM 675 C ALA A 45 7.320 10.768 -8.022 1.00 0.00 C ATOM 676 O ALA A 45 7.190 11.104 -9.183 1.00 0.00 O ATOM 677 CB ALA A 45 9.616 10.226 -7.446 1.00 0.00 C ATOM 0 H ALA A 45 7.210 10.730 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 45 8.765 12.210 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.901 10.237 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.470 10.519 -6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.298 9.221 -7.167 1.00 0.00 H new ATOM 683 N THR A 46 6.493 10.014 -7.402 1.00 0.00 N ATOM 684 CA THR A 46 5.309 9.530 -8.099 1.00 0.00 C ATOM 685 C THR A 46 5.731 8.717 -9.324 1.00 0.00 C ATOM 686 O THR A 46 4.924 8.339 -10.147 1.00 0.00 O ATOM 687 CB THR A 46 4.465 10.794 -8.493 1.00 0.00 C ATOM 688 OG1 THR A 46 3.409 10.827 -7.555 1.00 0.00 O ATOM 689 CG2 THR A 46 3.743 10.649 -9.854 1.00 0.00 C ATOM 0 H THR A 46 6.588 9.710 -6.433 1.00 0.00 H new ATOM 0 HA THR A 46 4.708 8.870 -7.474 1.00 0.00 H new ATOM 0 HB THR A 46 5.131 11.656 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.833 11.599 -7.737 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.179 11.557 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.480 10.488 -10.641 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.062 9.799 -9.816 1.00 0.00 H new ATOM 697 N ASN A 47 6.995 8.435 -9.386 1.00 0.00 N ATOM 698 CA ASN A 47 7.520 7.651 -10.532 1.00 0.00 C ATOM 699 C ASN A 47 8.915 7.116 -10.218 1.00 0.00 C ATOM 700 O ASN A 47 9.878 7.468 -10.871 1.00 0.00 O ATOM 701 CB ASN A 47 7.607 8.580 -11.763 1.00 0.00 C ATOM 702 CG ASN A 47 6.217 8.736 -12.384 1.00 0.00 C ATOM 703 OD1 ASN A 47 5.703 9.829 -12.515 1.00 0.00 O ATOM 704 ND2 ASN A 47 5.577 7.671 -12.782 1.00 0.00 N ATOM 0 H ASN A 47 7.690 8.713 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 47 6.855 6.810 -10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.997 9.555 -11.470 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.300 8.167 -12.496 1.00 0.00 H new ATOM 0 HD21 ASN A 47 4.651 7.759 -13.200 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.003 6.750 -12.675 1.00 0.00 H new ATOM 711 N GLN A 48 8.997 6.276 -9.221 1.00 0.00 N ATOM 712 CA GLN A 48 10.320 5.702 -8.843 1.00 0.00 C ATOM 713 C GLN A 48 10.141 4.334 -8.209 1.00 0.00 C ATOM 714 O GLN A 48 9.074 4.007 -7.729 1.00 0.00 O ATOM 715 CB GLN A 48 10.981 6.639 -7.820 1.00 0.00 C ATOM 716 CG GLN A 48 12.419 6.178 -7.574 1.00 0.00 C ATOM 717 CD GLN A 48 13.175 7.266 -6.809 1.00 0.00 C ATOM 718 OE1 GLN A 48 14.347 7.133 -6.514 1.00 0.00 O ATOM 719 NE2 GLN A 48 12.544 8.356 -6.468 1.00 0.00 N ATOM 0 H GLN A 48 8.208 5.964 -8.654 1.00 0.00 H new ATOM 0 HA GLN A 48 10.938 5.601 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.973 7.664 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 48 10.419 6.632 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.423 5.248 -7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.915 5.973 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.561 8.474 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.034 9.090 -5.957 1.00 0.00 H new ATOM 728 N CYS A 49 11.197 3.561 -8.199 1.00 0.00 N ATOM 729 CA CYS A 49 11.109 2.203 -7.598 1.00 0.00 C ATOM 730 C CYS A 49 9.876 1.462 -8.129 1.00 0.00 C ATOM 731 O CYS A 49 9.113 1.993 -8.911 1.00 0.00 O ATOM 732 CB CYS A 49 11.030 2.336 -6.035 1.00 0.00 C ATOM 733 SG CYS A 49 10.396 3.889 -5.335 1.00 0.00 S ATOM 0 H CYS A 49 12.109 3.812 -8.579 1.00 0.00 H new ATOM 0 HA CYS A 49 11.995 1.630 -7.871 1.00 0.00 H new ATOM 0 HB2 CYS A 49 10.405 1.524 -5.663 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.032 2.176 -5.636 1.00 0.00 H new ATOM 738 N THR A 50 9.716 0.240 -7.700 1.00 0.00 N ATOM 739 CA THR A 50 8.542 -0.563 -8.162 1.00 0.00 C ATOM 740 C THR A 50 8.104 -1.540 -7.081 1.00 0.00 C ATOM 741 O THR A 50 8.925 -2.143 -6.420 1.00 0.00 O ATOM 742 CB THR A 50 8.961 -1.359 -9.402 1.00 0.00 C ATOM 743 OG1 THR A 50 9.421 -0.396 -10.329 1.00 0.00 O ATOM 744 CG2 THR A 50 7.740 -1.997 -10.080 1.00 0.00 C ATOM 0 H THR A 50 10.343 -0.238 -7.052 1.00 0.00 H new ATOM 0 HA THR A 50 7.714 0.109 -8.388 1.00 0.00 H new ATOM 0 HB THR A 50 9.685 -2.124 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.708 -0.845 -11.152 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.062 -2.557 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.247 -2.672 -9.380 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.043 -1.216 -10.384 1.00 0.00 H new ATOM 752 N ILE A 51 6.803 -1.680 -6.920 1.00 0.00 N ATOM 753 CA ILE A 51 6.274 -2.619 -5.879 1.00 0.00 C ATOM 754 C ILE A 51 5.793 -3.929 -6.519 1.00 0.00 C ATOM 755 O ILE A 51 5.695 -4.033 -7.726 1.00 0.00 O ATOM 756 CB ILE A 51 5.097 -1.906 -5.146 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.973 -2.460 -3.718 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.752 -2.149 -5.912 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.668 -1.979 -3.075 1.00 0.00 C ATOM 0 H ILE A 51 6.093 -1.187 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 51 7.063 -2.874 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 51 5.300 -0.836 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.996 -3.550 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.824 -2.135 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.939 -1.645 -5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.833 -1.752 -6.924 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.547 -3.219 -5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.592 -2.378 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.661 -0.890 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.821 -2.326 -3.667 1.00 0.00 H new ATOM 771 N ASP A 52 5.500 -4.900 -5.692 1.00 0.00 N ATOM 772 CA ASP A 52 5.026 -6.204 -6.224 1.00 0.00 C ATOM 773 C ASP A 52 4.240 -6.964 -5.154 1.00 0.00 C ATOM 774 O ASP A 52 3.391 -6.403 -4.491 1.00 0.00 O ATOM 775 CB ASP A 52 6.258 -7.035 -6.630 1.00 0.00 C ATOM 776 CG ASP A 52 7.096 -6.246 -7.637 1.00 0.00 C ATOM 777 OD1 ASP A 52 7.880 -5.436 -7.171 1.00 0.00 O ATOM 778 OD2 ASP A 52 6.904 -6.495 -8.815 1.00 0.00 O ATOM 0 H ASP A 52 5.569 -4.843 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 52 4.374 -6.033 -7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.856 -7.272 -5.750 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.943 -7.983 -7.066 1.00 0.00 H new ATOM 783 N LYS A 53 4.534 -8.230 -5.007 1.00 0.00 N ATOM 784 CA LYS A 53 3.814 -9.039 -3.989 1.00 0.00 C ATOM 785 C LYS A 53 4.398 -8.811 -2.599 1.00 0.00 C ATOM 786 O LYS A 53 5.531 -9.162 -2.335 1.00 0.00 O ATOM 787 CB LYS A 53 3.976 -10.523 -4.356 1.00 0.00 C ATOM 788 CG LYS A 53 3.004 -11.363 -3.516 1.00 0.00 C ATOM 789 CD LYS A 53 3.435 -12.834 -3.562 1.00 0.00 C ATOM 790 CE LYS A 53 3.444 -13.317 -5.016 1.00 0.00 C ATOM 791 NZ LYS A 53 3.466 -14.807 -5.070 1.00 0.00 N ATOM 0 H LYS A 53 5.238 -8.733 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 53 2.764 -8.746 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.778 -10.670 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.002 -10.844 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.994 -11.007 -2.486 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.989 -11.257 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.426 -12.948 -3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.752 -13.443 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.563 -12.941 -5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.315 -12.915 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.472 -15.118 -6.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.320 -15.159 -4.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.622 -15.184 -4.594 1.00 0.00 H new ATOM 805 N ASN A 54 3.611 -8.226 -1.729 1.00 0.00 N ATOM 806 CA ASN A 54 4.101 -7.967 -0.350 1.00 0.00 C ATOM 807 C ASN A 54 2.934 -7.903 0.626 1.00 0.00 C ATOM 808 O ASN A 54 2.539 -8.901 1.188 1.00 0.00 O ATOM 809 CB ASN A 54 4.828 -6.612 -0.339 1.00 0.00 C ATOM 810 CG ASN A 54 6.138 -6.732 -1.119 1.00 0.00 C ATOM 811 OD1 ASN A 54 6.852 -7.709 -1.008 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.490 -5.763 -1.919 1.00 0.00 N ATOM 0 H ASN A 54 2.656 -7.920 -1.918 1.00 0.00 H new ATOM 0 HA ASN A 54 4.771 -8.772 -0.049 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.196 -5.844 -0.785 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.030 -6.303 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.360 -5.828 -2.447 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.895 -4.940 -2.016 1.00 0.00 H new ATOM 819 N ARG A 55 2.408 -6.721 0.806 1.00 0.00 N ATOM 820 CA ARG A 55 1.260 -6.545 1.740 1.00 0.00 C ATOM 821 C ARG A 55 0.916 -5.069 1.858 1.00 0.00 C ATOM 822 O ARG A 55 0.014 -4.576 1.215 1.00 0.00 O ATOM 823 CB ARG A 55 1.661 -7.134 3.158 1.00 0.00 C ATOM 824 CG ARG A 55 0.798 -8.375 3.481 1.00 0.00 C ATOM 825 CD ARG A 55 1.475 -9.189 4.589 1.00 0.00 C ATOM 826 NE ARG A 55 2.738 -9.801 4.042 1.00 0.00 N ATOM 827 CZ ARG A 55 3.901 -9.494 4.570 1.00 0.00 C ATOM 828 NH1 ARG A 55 4.076 -8.297 5.060 1.00 0.00 N ATOM 829 NH2 ARG A 55 4.844 -10.398 4.588 1.00 0.00 N ATOM 0 H ARG A 55 2.725 -5.868 0.345 1.00 0.00 H new ATOM 0 HA ARG A 55 0.385 -7.074 1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.717 -7.404 3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.523 -6.375 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.198 -8.067 3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.673 -8.988 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.705 -8.549 5.441 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.803 -9.969 4.948 1.00 0.00 H new ATOM 0 HE ARG A 55 2.690 -10.455 3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.316 -7.617 5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.973 -8.041 5.474 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.671 -11.324 4.196 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.754 -10.178 4.994 1.00 0.00 H new ATOM 843 N ARG A 56 1.648 -4.420 2.665 1.00 0.00 N ATOM 844 CA ARG A 56 1.429 -2.964 2.884 1.00 0.00 C ATOM 845 C ARG A 56 2.492 -2.401 3.822 1.00 0.00 C ATOM 846 O ARG A 56 2.202 -1.586 4.675 1.00 0.00 O ATOM 847 CB ARG A 56 0.044 -2.752 3.531 1.00 0.00 C ATOM 848 CG ARG A 56 -0.018 -3.516 4.858 1.00 0.00 C ATOM 849 CD ARG A 56 -1.476 -3.625 5.312 1.00 0.00 C ATOM 850 NE ARG A 56 -1.518 -4.239 6.670 1.00 0.00 N ATOM 851 CZ ARG A 56 -2.671 -4.558 7.195 1.00 0.00 C ATOM 852 NH1 ARG A 56 -3.335 -5.563 6.692 1.00 0.00 N ATOM 853 NH2 ARG A 56 -3.118 -3.864 8.204 1.00 0.00 N ATOM 0 H ARG A 56 2.412 -4.825 3.205 1.00 0.00 H new ATOM 0 HA ARG A 56 1.487 -2.453 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.132 -1.690 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.741 -3.101 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.413 -4.510 4.739 1.00 0.00 H new ATOM 0 HG3 ARG A 56 0.573 -3.001 5.615 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.939 -2.638 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.045 -4.231 4.607 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.654 -4.409 7.185 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.952 -6.084 5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.237 -5.828 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.570 -3.086 8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.016 -4.099 8.626 1.00 0.00 H new ATOM 867 N LYS A 57 3.715 -2.848 3.643 1.00 0.00 N ATOM 868 CA LYS A 57 4.822 -2.353 4.517 1.00 0.00 C ATOM 869 C LYS A 57 6.126 -2.245 3.732 1.00 0.00 C ATOM 870 O LYS A 57 7.093 -2.916 4.030 1.00 0.00 O ATOM 871 CB LYS A 57 5.016 -3.358 5.663 1.00 0.00 C ATOM 872 CG LYS A 57 3.648 -3.725 6.241 1.00 0.00 C ATOM 873 CD LYS A 57 3.845 -4.552 7.512 1.00 0.00 C ATOM 874 CE LYS A 57 2.495 -5.117 7.956 1.00 0.00 C ATOM 875 NZ LYS A 57 2.039 -6.179 7.018 1.00 0.00 N ATOM 0 H LYS A 57 3.990 -3.529 2.935 1.00 0.00 H new ATOM 0 HA LYS A 57 4.563 -1.365 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.523 -4.252 5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.649 -2.927 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.080 -2.822 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.071 -4.291 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.550 -5.363 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.271 -3.933 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.579 -5.525 8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.755 -4.317 7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.340 -6.785 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.605 -5.740 6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.853 -6.755 6.723 1.00 0.00 H new ATOM 889 N SER A 58 6.121 -1.399 2.740 1.00 0.00 N ATOM 890 CA SER A 58 7.342 -1.222 1.916 1.00 0.00 C ATOM 891 C SER A 58 7.210 0.030 1.049 1.00 0.00 C ATOM 892 O SER A 58 7.313 1.137 1.539 1.00 0.00 O ATOM 893 CB SER A 58 7.501 -2.455 1.008 1.00 0.00 C ATOM 894 OG SER A 58 8.636 -2.157 0.210 1.00 0.00 O ATOM 0 H SER A 58 5.324 -0.824 2.467 1.00 0.00 H new ATOM 0 HA SER A 58 8.211 -1.113 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.652 -3.363 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.614 -2.615 0.395 1.00 0.00 H new ATOM 0 HG SER A 58 8.810 -2.902 -0.403 1.00 0.00 H new ATOM 900 N CYS A 59 6.983 -0.165 -0.228 1.00 0.00 N ATOM 901 CA CYS A 59 6.840 1.007 -1.135 1.00 0.00 C ATOM 902 C CYS A 59 5.405 1.538 -1.019 1.00 0.00 C ATOM 903 O CYS A 59 4.712 1.755 -1.994 1.00 0.00 O ATOM 904 CB CYS A 59 7.172 0.530 -2.592 1.00 0.00 C ATOM 905 SG CYS A 59 8.566 1.331 -3.440 1.00 0.00 S ATOM 0 H CYS A 59 6.892 -1.078 -0.674 1.00 0.00 H new ATOM 0 HA CYS A 59 7.521 1.816 -0.870 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.370 -0.541 -2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.281 0.671 -3.203 1.00 0.00 H new ATOM 910 N GLN A 60 5.017 1.734 0.202 1.00 0.00 N ATOM 911 CA GLN A 60 3.653 2.242 0.502 1.00 0.00 C ATOM 912 C GLN A 60 3.252 3.419 -0.376 1.00 0.00 C ATOM 913 O GLN A 60 2.139 3.482 -0.839 1.00 0.00 O ATOM 914 CB GLN A 60 3.642 2.701 1.983 1.00 0.00 C ATOM 915 CG GLN A 60 3.447 1.485 2.891 1.00 0.00 C ATOM 916 CD GLN A 60 3.727 1.887 4.340 1.00 0.00 C ATOM 917 OE1 GLN A 60 4.485 1.246 5.040 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.135 2.943 4.829 1.00 0.00 N ATOM 0 H GLN A 60 5.597 1.561 1.023 1.00 0.00 H new ATOM 0 HA GLN A 60 2.940 1.441 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.578 3.204 2.226 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.841 3.422 2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.430 1.106 2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.117 0.680 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.497 3.486 4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.310 3.225 5.793 1.00 0.00 H new ATOM 927 N ALA A 61 4.147 4.327 -0.605 1.00 0.00 N ATOM 928 CA ALA A 61 3.765 5.484 -1.455 1.00 0.00 C ATOM 929 C ALA A 61 3.556 5.109 -2.905 1.00 0.00 C ATOM 930 O ALA A 61 2.677 5.646 -3.549 1.00 0.00 O ATOM 931 CB ALA A 61 4.815 6.577 -1.331 1.00 0.00 C ATOM 0 H ALA A 61 5.104 4.325 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 61 2.804 5.850 -1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.533 7.425 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.884 6.899 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.781 6.192 -1.657 1.00 0.00 H new ATOM 937 N CYS A 62 4.336 4.210 -3.423 1.00 0.00 N ATOM 938 CA CYS A 62 4.116 3.853 -4.836 1.00 0.00 C ATOM 939 C CYS A 62 2.826 3.096 -4.911 1.00 0.00 C ATOM 940 O CYS A 62 2.154 3.131 -5.900 1.00 0.00 O ATOM 941 CB CYS A 62 5.270 2.958 -5.336 1.00 0.00 C ATOM 942 SG CYS A 62 6.781 3.772 -5.879 1.00 0.00 S ATOM 0 H CYS A 62 5.093 3.722 -2.944 1.00 0.00 H new ATOM 0 HA CYS A 62 4.078 4.748 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.530 2.267 -4.535 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.895 2.358 -6.165 1.00 0.00 H new ATOM 947 N ARG A 63 2.495 2.418 -3.836 1.00 0.00 N ATOM 948 CA ARG A 63 1.238 1.654 -3.836 1.00 0.00 C ATOM 949 C ARG A 63 0.103 2.585 -4.193 1.00 0.00 C ATOM 950 O ARG A 63 -0.655 2.331 -5.105 1.00 0.00 O ATOM 951 CB ARG A 63 0.996 1.085 -2.421 1.00 0.00 C ATOM 952 CG ARG A 63 -0.142 0.039 -2.465 1.00 0.00 C ATOM 953 CD ARG A 63 0.427 -1.332 -2.854 1.00 0.00 C ATOM 954 NE ARG A 63 1.220 -1.878 -1.698 1.00 0.00 N ATOM 955 CZ ARG A 63 0.731 -2.857 -0.974 1.00 0.00 C ATOM 956 NH1 ARG A 63 -0.470 -2.733 -0.477 1.00 0.00 N ATOM 957 NH2 ARG A 63 1.460 -3.922 -0.778 1.00 0.00 N ATOM 0 H ARG A 63 3.042 2.370 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 63 1.295 0.839 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.909 0.626 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.736 1.891 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.630 -0.022 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.902 0.345 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.382 -2.016 -3.113 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.061 -1.240 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 63 2.136 -1.488 -1.477 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.010 -1.886 -0.654 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.868 -3.483 0.088 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.393 -3.983 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.096 -4.693 -0.218 1.00 0.00 H new ATOM 971 N LEU A 64 0.008 3.658 -3.457 1.00 0.00 N ATOM 972 CA LEU A 64 -1.061 4.626 -3.729 1.00 0.00 C ATOM 973 C LEU A 64 -1.041 5.044 -5.184 1.00 0.00 C ATOM 974 O LEU A 64 -1.985 4.860 -5.913 1.00 0.00 O ATOM 975 CB LEU A 64 -0.805 5.892 -2.909 1.00 0.00 C ATOM 976 CG LEU A 64 -1.985 6.881 -3.100 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.333 6.194 -2.675 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.724 8.140 -2.218 1.00 0.00 C ATOM 0 H LEU A 64 0.629 3.896 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.014 4.160 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.696 5.639 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.129 6.359 -3.223 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.062 7.173 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.157 6.894 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.501 5.311 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.277 5.900 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.545 8.847 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.654 7.843 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.790 8.612 -2.525 1.00 0.00 H new ATOM 990 N ARG A 65 0.038 5.643 -5.569 1.00 0.00 N ATOM 991 CA ARG A 65 0.152 6.087 -6.962 1.00 0.00 C ATOM 992 C ARG A 65 -0.111 4.927 -7.887 1.00 0.00 C ATOM 993 O ARG A 65 -0.660 5.094 -8.957 1.00 0.00 O ATOM 994 CB ARG A 65 1.594 6.620 -7.180 1.00 0.00 C ATOM 995 CG ARG A 65 1.844 6.889 -8.702 1.00 0.00 C ATOM 996 CD ARG A 65 2.631 5.724 -9.322 1.00 0.00 C ATOM 997 NE ARG A 65 2.498 5.785 -10.806 1.00 0.00 N ATOM 998 CZ ARG A 65 3.354 5.141 -11.553 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.803 3.986 -11.144 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.732 5.673 -12.683 1.00 0.00 N ATOM 0 H ARG A 65 0.844 5.842 -4.976 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.575 6.871 -7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.740 7.538 -6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.318 5.896 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.892 7.011 -9.219 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.397 7.820 -8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.681 5.784 -9.035 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.252 4.773 -8.949 1.00 0.00 H new ATOM 0 HE ARG A 65 1.745 6.325 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.485 3.601 -10.255 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.472 3.468 -11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.360 6.578 -12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.400 5.184 -13.279 1.00 0.00 H new ATOM 1014 N LYS A 66 0.285 3.761 -7.462 1.00 0.00 N ATOM 1015 CA LYS A 66 0.059 2.582 -8.308 1.00 0.00 C ATOM 1016 C LYS A 66 -1.357 2.158 -8.148 1.00 0.00 C ATOM 1017 O LYS A 66 -1.840 1.384 -8.921 1.00 0.00 O ATOM 1018 CB LYS A 66 0.984 1.431 -7.877 1.00 0.00 C ATOM 1019 CG LYS A 66 2.393 1.692 -8.411 1.00 0.00 C ATOM 1020 CD LYS A 66 3.350 0.642 -7.841 1.00 0.00 C ATOM 1021 CE LYS A 66 4.766 0.885 -8.387 1.00 0.00 C ATOM 1022 NZ LYS A 66 4.923 0.249 -9.726 1.00 0.00 N ATOM 0 H LYS A 66 0.751 3.584 -6.572 1.00 0.00 H new ATOM 0 HA LYS A 66 0.272 2.831 -9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.003 1.351 -6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.607 0.483 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.395 1.650 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.722 2.692 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.355 0.693 -6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.012 -0.358 -8.112 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.955 1.956 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.504 0.478 -7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.817 0.561 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.932 -0.786 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.130 0.528 -10.338 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.002 2.641 -7.088 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.414 2.264 -6.880 1.00 0.00 C ATOM 1038 C CYS A 67 -4.261 3.161 -7.751 1.00 0.00 C ATOM 1039 O CYS A 67 -5.320 2.786 -8.168 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.813 2.455 -5.409 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.253 1.207 -4.224 1.00 0.00 S ATOM 0 H CYS A 67 -1.602 3.264 -6.387 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.560 1.215 -7.138 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.436 3.424 -5.081 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.901 2.503 -5.359 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.673 1.519 -3.034 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.786 4.368 -7.976 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.569 5.298 -8.836 1.00 0.00 C ATOM 1049 C TYR A 68 -4.241 4.978 -10.291 1.00 0.00 C ATOM 1050 O TYR A 68 -5.084 5.081 -11.160 1.00 0.00 O ATOM 1051 CB TYR A 68 -4.136 6.775 -8.570 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.511 7.279 -7.145 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.784 7.081 -6.601 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.591 8.033 -6.417 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -6.113 7.630 -5.364 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.940 8.584 -5.199 1.00 0.00 C ATOM 1057 CZ TYR A 68 -5.185 8.384 -4.668 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.491 8.913 -3.451 1.00 0.00 O ATOM 0 H TYR A 68 -2.909 4.737 -7.607 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.631 5.182 -8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.058 6.861 -8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.603 7.423 -9.312 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.515 6.500 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.597 8.188 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.096 7.467 -4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.220 9.181 -4.659 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.199 9.583 -3.554 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.001 4.593 -10.526 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.587 4.258 -11.913 1.00 0.00 C ATOM 1070 C GLU A 69 -3.539 3.250 -12.478 1.00 0.00 C ATOM 1071 O GLU A 69 -3.670 3.066 -13.672 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.178 3.653 -11.842 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.530 3.708 -13.226 1.00 0.00 C ATOM 1074 CD GLU A 69 -0.141 5.152 -13.546 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.353 5.794 -12.633 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -0.358 5.532 -14.685 1.00 0.00 O ATOM 0 H GLU A 69 -2.273 4.500 -9.818 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.591 5.144 -12.547 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.571 4.202 -11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.231 2.621 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.352 3.067 -13.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.222 3.330 -13.979 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.172 2.636 -11.582 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.172 1.595 -11.907 1.00 0.00 C ATOM 1085 C VAL A 70 -6.340 2.188 -12.614 1.00 0.00 C ATOM 1086 O VAL A 70 -6.772 1.747 -13.660 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.712 1.087 -10.567 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.773 -0.009 -10.766 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.585 0.561 -9.709 1.00 0.00 C ATOM 0 H VAL A 70 -4.049 2.803 -10.583 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.711 0.825 -12.526 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.185 1.930 -10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.134 -0.346 -9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.606 0.392 -11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.332 -0.850 -11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.986 0.204 -8.760 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.088 -0.260 -10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.867 1.359 -9.522 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.814 3.192 -11.995 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.985 3.939 -12.506 1.00 0.00 C ATOM 1101 C GLY A 71 -9.183 3.444 -11.709 1.00 0.00 C ATOM 1102 O GLY A 71 -10.269 3.286 -12.228 1.00 0.00 O ATOM 0 H GLY A 71 -6.434 3.552 -11.120 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.848 5.013 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.126 3.761 -13.572 1.00 0.00 H new ATOM 1106 N MET A 72 -8.938 3.209 -10.428 1.00 0.00 N ATOM 1107 CA MET A 72 -10.043 2.709 -9.535 1.00 0.00 C ATOM 1108 C MET A 72 -10.863 3.829 -8.983 1.00 0.00 C ATOM 1109 O MET A 72 -12.026 3.984 -9.289 1.00 0.00 O ATOM 1110 CB MET A 72 -9.466 1.900 -8.272 1.00 0.00 C ATOM 1111 CG MET A 72 -7.941 2.043 -8.117 1.00 0.00 C ATOM 1112 SD MET A 72 -7.272 2.037 -6.452 1.00 0.00 S ATOM 1113 CE MET A 72 -7.986 0.469 -5.971 1.00 0.00 C ATOM 0 H MET A 72 -8.035 3.340 -9.972 1.00 0.00 H new ATOM 0 HA MET A 72 -10.652 2.061 -10.165 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.954 2.256 -7.365 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.719 0.845 -8.376 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.469 1.232 -8.672 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.640 2.974 -8.597 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.513 0.120 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.056 0.592 -5.804 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.825 -0.262 -6.763 1.00 0.00 H new ATOM 1123 N MET A 73 -10.221 4.562 -8.168 1.00 0.00 N ATOM 1124 CA MET A 73 -10.868 5.707 -7.514 1.00 0.00 C ATOM 1125 C MET A 73 -11.940 5.148 -6.628 1.00 0.00 C ATOM 1126 O MET A 73 -12.774 4.391 -7.080 1.00 0.00 O ATOM 1127 CB MET A 73 -11.494 6.661 -8.548 1.00 0.00 C ATOM 1128 CG MET A 73 -10.490 6.937 -9.673 1.00 0.00 C ATOM 1129 SD MET A 73 -10.852 8.317 -10.787 1.00 0.00 S ATOM 1130 CE MET A 73 -10.198 9.636 -9.733 1.00 0.00 C ATOM 0 H MET A 73 -9.244 4.420 -7.913 1.00 0.00 H new ATOM 0 HA MET A 73 -10.134 6.281 -6.948 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.403 6.221 -8.959 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.781 7.596 -8.067 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.515 7.116 -9.219 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.400 6.032 -10.274 1.00 0.00 H new ATOM 0 HE1 MET A 73 -10.320 10.596 -10.234 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.740 9.648 -8.787 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.140 9.458 -9.543 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.897 5.506 -5.378 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.924 4.987 -4.429 1.00 0.00 C ATOM 1142 C LYS A 74 -14.306 4.853 -5.097 1.00 0.00 C ATOM 1143 O LYS A 74 -15.086 3.989 -4.750 1.00 0.00 O ATOM 1144 CB LYS A 74 -13.045 5.951 -3.223 1.00 0.00 C ATOM 1145 CG LYS A 74 -14.274 5.574 -2.374 1.00 0.00 C ATOM 1146 CD LYS A 74 -14.169 6.246 -0.999 1.00 0.00 C ATOM 1147 CE LYS A 74 -15.320 5.764 -0.113 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.073 6.132 1.309 1.00 0.00 N ATOM 0 H LYS A 74 -11.201 6.131 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.603 3.998 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.142 5.901 -2.614 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.136 6.979 -3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.188 5.890 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -14.332 4.492 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.212 6.005 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.207 7.330 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -16.257 6.206 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.427 4.683 -0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.847 5.768 1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.172 5.718 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.028 7.167 1.397 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.571 5.714 -6.043 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.885 5.655 -6.741 1.00 0.00 C ATOM 1164 C GLY A 75 -17.012 6.085 -5.799 1.00 0.00 C ATOM 1165 O GLY A 75 -18.144 6.031 -6.249 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.674 6.445 -4.683 1.00 0.00 O ATOM 0 H GLY A 75 -13.939 6.450 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.868 6.304 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.068 4.642 -7.098 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -2.924 -5.541 -4.325 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.396 3.477 -4.277 1.00 0.00 ZN