USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=23 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 -132:sc= -3.53! USER MOD Set 1.2: A 72 MET CE :methyl -163:sc= -0.656 (180deg=-0.591) USER MOD Set 2.1: A 34 SER OG : rot 156:sc= 2.4 USER MOD Set 2.2: A 41 TYR OH : rot -139:sc= -1.57! USER MOD Set 3.1: A 15 SER OG : rot 120:sc= -0.606 USER MOD Set 3.2: A 18 HIS : no HE2:sc= -4.52! C(o=-5.7!,f=-5.9!) USER MOD Set 3.3: A 23 SER OG : rot -163:sc= -0.552 USER MOD Single : A 1 MET CE :methyl 180:sc=-0.000857 (180deg=-0.000857) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0.276 (180deg=-0.093) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -0.0017 (180deg=-0.472) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 114:sc= -0.3 USER MOD Single : A 11 ASN :FLIP amide:sc= -1.76 F(o=-3.5!,f=-1.8) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= -0.635 USER MOD Single : A 19 TYR OH : rot 150:sc= -1.32 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.018) USER MOD Single : A 39 ASN :FLIP amide:sc= -10.8! C(o=-14!,f=-11!) USER MOD Single : A 42 MET CE :methyl -167:sc= -0.0296 (180deg=-0.401) USER MOD Single : A 46 THR OG1 : rot -147:sc= 0.11 USER MOD Single : A 47 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.4!) USER MOD Single : A 48 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.15) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 152:sc= -0.138 (180deg=-0.811) USER MOD Single : A 54 ASN : amide:sc= -3.3! C(o=-3.3!,f=-2.9!) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc=-0.00184 (180deg=-0.123) USER MOD Single : A 58 SER OG : rot 143:sc= 0.211 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 168:sc= -5.83! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.664 -11.733 -17.737 1.00 0.00 N ATOM 2 CA MET A 1 -16.389 -12.275 -17.213 1.00 0.00 C ATOM 3 C MET A 1 -16.207 -13.716 -17.671 1.00 0.00 C ATOM 4 O MET A 1 -17.164 -14.394 -17.990 1.00 0.00 O ATOM 5 CB MET A 1 -16.401 -12.249 -15.677 1.00 0.00 C ATOM 6 CG MET A 1 -16.844 -10.862 -15.203 1.00 0.00 C ATOM 7 SD MET A 1 -16.171 -9.431 -16.082 1.00 0.00 S ATOM 8 CE MET A 1 -16.489 -8.202 -14.792 1.00 0.00 C ATOM 0 H1 MET A 1 -17.717 -10.714 -17.536 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.710 -11.886 -18.765 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.462 -12.218 -17.279 1.00 0.00 H new ATOM 0 HA MET A 1 -15.572 -11.660 -17.590 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.079 -13.012 -15.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.409 -12.480 -15.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.931 -10.816 -15.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.581 -10.765 -14.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.145 -7.224 -15.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.558 -8.159 -14.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.955 -8.482 -13.884 1.00 0.00 H new ATOM 20 N LYS A 2 -14.976 -14.161 -17.697 1.00 0.00 N ATOM 21 CA LYS A 2 -14.703 -15.560 -18.132 1.00 0.00 C ATOM 22 C LYS A 2 -13.431 -16.090 -17.483 1.00 0.00 C ATOM 23 O LYS A 2 -13.467 -17.042 -16.729 1.00 0.00 O ATOM 24 CB LYS A 2 -14.514 -15.566 -19.659 1.00 0.00 C ATOM 25 CG LYS A 2 -15.839 -15.197 -20.337 1.00 0.00 C ATOM 26 CD LYS A 2 -15.768 -15.572 -21.821 1.00 0.00 C ATOM 27 CE LYS A 2 -16.919 -14.892 -22.567 1.00 0.00 C ATOM 28 NZ LYS A 2 -18.201 -15.079 -21.832 1.00 0.00 N ATOM 0 H LYS A 2 -14.153 -13.617 -17.437 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.539 -16.193 -17.836 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.737 -14.856 -19.943 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.184 -16.550 -19.992 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.665 -15.721 -19.856 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -16.032 -14.130 -20.228 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.812 -15.261 -22.242 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.831 -16.654 -21.939 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.709 -13.828 -22.679 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.005 -15.307 -23.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.999 -14.925 -22.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.245 -16.046 -21.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.255 -14.396 -21.049 1.00 0.00 H new ATOM 42 N GLU A 3 -12.323 -15.462 -17.787 1.00 0.00 N ATOM 43 CA GLU A 3 -11.034 -15.916 -17.195 1.00 0.00 C ATOM 44 C GLU A 3 -10.841 -15.325 -15.795 1.00 0.00 C ATOM 45 O GLU A 3 -11.471 -14.350 -15.435 1.00 0.00 O ATOM 46 CB GLU A 3 -9.873 -15.446 -18.114 1.00 0.00 C ATOM 47 CG GLU A 3 -10.212 -14.078 -18.726 1.00 0.00 C ATOM 48 CD GLU A 3 -10.653 -13.113 -17.624 1.00 0.00 C ATOM 49 OE1 GLU A 3 -9.768 -12.475 -17.079 1.00 0.00 O ATOM 50 OE2 GLU A 3 -11.849 -13.069 -17.390 1.00 0.00 O ATOM 0 H GLU A 3 -12.258 -14.661 -18.415 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.043 -17.003 -17.113 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -8.948 -15.379 -17.541 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.705 -16.177 -18.905 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.343 -13.677 -19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.005 -14.187 -19.466 1.00 0.00 H new ATOM 57 N THR A 4 -9.973 -15.935 -15.035 1.00 0.00 N ATOM 58 CA THR A 4 -9.719 -15.437 -13.658 1.00 0.00 C ATOM 59 C THR A 4 -9.012 -14.089 -13.682 1.00 0.00 C ATOM 60 O THR A 4 -8.086 -13.888 -14.437 1.00 0.00 O ATOM 61 CB THR A 4 -8.804 -16.452 -12.946 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.560 -17.642 -12.863 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.549 -16.054 -11.480 1.00 0.00 C ATOM 0 H THR A 4 -9.431 -16.754 -15.309 1.00 0.00 H new ATOM 0 HA THR A 4 -10.672 -15.321 -13.142 1.00 0.00 H new ATOM 0 HB THR A 4 -7.859 -16.525 -13.484 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.030 -18.336 -12.418 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.900 -16.793 -11.010 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.069 -15.076 -11.447 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.497 -16.011 -10.944 1.00 0.00 H new ATOM 71 N ARG A 5 -9.478 -13.175 -12.861 1.00 0.00 N ATOM 72 CA ARG A 5 -8.837 -11.825 -12.817 1.00 0.00 C ATOM 73 C ARG A 5 -7.859 -11.808 -11.674 1.00 0.00 C ATOM 74 O ARG A 5 -7.772 -12.759 -10.925 1.00 0.00 O ATOM 75 CB ARG A 5 -9.906 -10.729 -12.592 1.00 0.00 C ATOM 76 CG ARG A 5 -11.107 -10.955 -13.542 1.00 0.00 C ATOM 77 CD ARG A 5 -10.753 -10.437 -14.941 1.00 0.00 C ATOM 78 NE ARG A 5 -11.893 -10.719 -15.868 1.00 0.00 N ATOM 79 CZ ARG A 5 -12.862 -9.847 -15.989 1.00 0.00 C ATOM 80 NH1 ARG A 5 -13.069 -8.996 -15.022 1.00 0.00 N ATOM 81 NH2 ARG A 5 -13.586 -9.856 -17.075 1.00 0.00 N ATOM 0 H ARG A 5 -10.266 -13.306 -12.227 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.331 -11.627 -13.762 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -10.244 -10.747 -11.556 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.472 -9.745 -12.769 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.355 -12.015 -13.587 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.988 -10.437 -13.162 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.552 -9.366 -14.906 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.845 -10.920 -15.303 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.915 -11.587 -16.403 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.480 -9.017 -14.189 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.819 -8.309 -15.099 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.392 -10.535 -17.811 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.345 -9.184 -17.187 1.00 0.00 H new ATOM 95 N TYR A 6 -7.145 -10.738 -11.535 1.00 0.00 N ATOM 96 CA TYR A 6 -6.149 -10.666 -10.418 1.00 0.00 C ATOM 97 C TYR A 6 -5.912 -9.217 -9.982 1.00 0.00 C ATOM 98 O TYR A 6 -6.458 -8.305 -10.570 1.00 0.00 O ATOM 99 CB TYR A 6 -4.826 -11.273 -10.952 1.00 0.00 C ATOM 100 CG TYR A 6 -5.139 -12.437 -11.900 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.387 -13.698 -11.398 1.00 0.00 C ATOM 102 CD2 TYR A 6 -5.187 -12.242 -13.267 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.675 -14.743 -12.242 1.00 0.00 C ATOM 104 CE2 TYR A 6 -5.471 -13.292 -14.113 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.717 -14.552 -13.607 1.00 0.00 C ATOM 106 OH TYR A 6 -5.993 -15.603 -14.454 1.00 0.00 O ATOM 0 H TYR A 6 -7.198 -9.913 -12.133 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.519 -11.212 -9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.249 -10.510 -11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.213 -11.622 -10.121 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.354 -13.865 -10.332 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.001 -11.260 -13.675 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.870 -15.723 -11.833 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.501 -13.128 -15.180 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.854 -15.449 -14.897 1.00 0.00 H new ATOM 116 N CYS A 7 -5.096 -9.015 -8.955 1.00 0.00 N ATOM 117 CA CYS A 7 -4.860 -7.622 -8.529 1.00 0.00 C ATOM 118 C CYS A 7 -4.257 -6.852 -9.663 1.00 0.00 C ATOM 119 O CYS A 7 -3.302 -7.279 -10.280 1.00 0.00 O ATOM 120 CB CYS A 7 -3.956 -7.547 -7.260 1.00 0.00 C ATOM 121 SG CYS A 7 -4.125 -6.037 -6.252 1.00 0.00 S ATOM 0 H CYS A 7 -4.610 -9.738 -8.425 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.818 -7.177 -8.258 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.176 -8.408 -6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.916 -7.638 -7.572 1.00 0.00 H new ATOM 126 N ALA A 8 -4.840 -5.723 -9.921 1.00 0.00 N ATOM 127 CA ALA A 8 -4.355 -4.869 -11.014 1.00 0.00 C ATOM 128 C ALA A 8 -2.822 -4.876 -11.142 1.00 0.00 C ATOM 129 O ALA A 8 -2.313 -4.858 -12.241 1.00 0.00 O ATOM 130 CB ALA A 8 -4.856 -3.430 -10.765 1.00 0.00 C ATOM 0 H ALA A 8 -5.643 -5.356 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.745 -5.264 -11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.506 -2.779 -11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.946 -3.423 -10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.470 -3.070 -9.811 1.00 0.00 H new ATOM 136 N VAL A 9 -2.101 -4.937 -10.029 1.00 0.00 N ATOM 137 CA VAL A 9 -0.589 -4.941 -10.158 1.00 0.00 C ATOM 138 C VAL A 9 0.157 -5.479 -8.911 1.00 0.00 C ATOM 139 O VAL A 9 1.102 -6.233 -9.032 1.00 0.00 O ATOM 140 CB VAL A 9 -0.123 -3.454 -10.353 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.421 -3.360 -10.179 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.511 -2.955 -11.762 1.00 0.00 C ATOM 0 H VAL A 9 -2.471 -4.982 -9.080 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.351 -5.599 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.614 -2.831 -9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.740 -2.327 -10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.696 -3.696 -9.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.910 -3.991 -10.921 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.183 -1.923 -11.886 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.031 -3.581 -12.515 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.593 -3.008 -11.882 1.00 0.00 H new ATOM 152 N CYS A 10 -0.279 -5.081 -7.764 1.00 0.00 N ATOM 153 CA CYS A 10 0.400 -5.543 -6.508 1.00 0.00 C ATOM 154 C CYS A 10 0.644 -7.065 -6.405 1.00 0.00 C ATOM 155 O CYS A 10 1.757 -7.506 -6.614 1.00 0.00 O ATOM 156 CB CYS A 10 -0.418 -5.042 -5.281 1.00 0.00 C ATOM 157 SG CYS A 10 -0.997 -6.258 -4.077 1.00 0.00 S ATOM 0 H CYS A 10 -1.074 -4.457 -7.626 1.00 0.00 H new ATOM 0 HA CYS A 10 1.400 -5.109 -6.529 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.195 -4.314 -4.749 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.290 -4.509 -5.659 1.00 0.00 H new ATOM 162 N ASN A 11 -0.377 -7.845 -6.094 1.00 0.00 N ATOM 163 CA ASN A 11 -0.168 -9.328 -5.976 1.00 0.00 C ATOM 164 C ASN A 11 -0.789 -10.101 -7.116 1.00 0.00 C ATOM 165 O ASN A 11 -0.183 -10.266 -8.157 1.00 0.00 O ATOM 166 CB ASN A 11 -0.817 -9.786 -4.655 1.00 0.00 C ATOM 167 CG ASN A 11 -0.690 -11.307 -4.522 1.00 0.00 C ATOM 168 OD1 ASN A 11 0.211 -11.930 -5.230 1.00 0.00 O flip ATOM 169 ND2 ASN A 11 -1.408 -11.938 -3.773 1.00 0.00 N flip ATOM 0 H ASN A 11 -1.329 -7.522 -5.920 1.00 0.00 H new ATOM 0 HA ASN A 11 0.904 -9.525 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.333 -9.295 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.867 -9.495 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.114 -11.456 -3.217 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.305 -12.950 -3.700 1.00 0.00 H new ATOM 176 N ASP A 12 -1.998 -10.546 -6.915 1.00 0.00 N ATOM 177 CA ASP A 12 -2.660 -11.310 -7.969 1.00 0.00 C ATOM 178 C ASP A 12 -4.108 -11.604 -7.580 1.00 0.00 C ATOM 179 O ASP A 12 -4.827 -10.715 -7.176 1.00 0.00 O ATOM 180 CB ASP A 12 -1.909 -12.651 -8.153 1.00 0.00 C ATOM 181 CG ASP A 12 -2.339 -13.298 -9.470 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.148 -12.645 -10.483 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.833 -14.412 -9.391 1.00 0.00 O ATOM 0 H ASP A 12 -2.542 -10.406 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.650 -10.733 -8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.832 -12.480 -8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.125 -13.319 -7.319 1.00 0.00 H new ATOM 188 N TYR A 13 -4.498 -12.868 -7.683 1.00 0.00 N ATOM 189 CA TYR A 13 -5.901 -13.254 -7.327 1.00 0.00 C ATOM 190 C TYR A 13 -6.489 -12.372 -6.241 1.00 0.00 C ATOM 191 O TYR A 13 -6.265 -12.573 -5.063 1.00 0.00 O ATOM 192 CB TYR A 13 -5.933 -14.682 -6.823 1.00 0.00 C ATOM 193 CG TYR A 13 -5.192 -15.622 -7.786 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.842 -16.184 -8.874 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.881 -15.977 -7.539 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.194 -17.092 -9.684 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.233 -16.883 -8.355 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.885 -17.446 -9.433 1.00 0.00 C ATOM 199 OH TYR A 13 -3.236 -18.352 -10.247 1.00 0.00 O ATOM 0 H TYR A 13 -3.904 -13.636 -7.996 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.492 -13.138 -8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.475 -14.733 -5.835 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.967 -15.010 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.864 -15.908 -9.089 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.358 -15.542 -6.700 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.716 -17.530 -10.522 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.208 -17.153 -8.148 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.320 -18.484 -9.924 1.00 0.00 H new ATOM 209 N ALA A 14 -7.224 -11.424 -6.674 1.00 0.00 N ATOM 210 CA ALA A 14 -7.869 -10.480 -5.732 1.00 0.00 C ATOM 211 C ALA A 14 -9.059 -11.141 -5.036 1.00 0.00 C ATOM 212 O ALA A 14 -9.748 -11.957 -5.615 1.00 0.00 O ATOM 213 CB ALA A 14 -8.355 -9.259 -6.546 1.00 0.00 C ATOM 0 H ALA A 14 -7.418 -11.247 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.156 -10.177 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.836 -8.544 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.503 -8.784 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.069 -9.586 -7.302 1.00 0.00 H new ATOM 219 N SER A 15 -9.275 -10.771 -3.804 1.00 0.00 N ATOM 220 CA SER A 15 -10.407 -11.361 -3.046 1.00 0.00 C ATOM 221 C SER A 15 -11.745 -11.088 -3.730 1.00 0.00 C ATOM 222 O SER A 15 -12.704 -11.806 -3.522 1.00 0.00 O ATOM 223 CB SER A 15 -10.431 -10.725 -1.649 1.00 0.00 C ATOM 224 OG SER A 15 -10.367 -9.330 -1.903 1.00 0.00 O ATOM 0 H SER A 15 -8.717 -10.087 -3.293 1.00 0.00 H new ATOM 0 HA SER A 15 -10.266 -12.441 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.338 -10.990 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.588 -11.059 -1.044 1.00 0.00 H new ATOM 0 HG SER A 15 -11.165 -8.894 -1.537 1.00 0.00 H new ATOM 230 N GLY A 16 -11.791 -10.061 -4.534 1.00 0.00 N ATOM 231 CA GLY A 16 -13.074 -9.745 -5.231 1.00 0.00 C ATOM 232 C GLY A 16 -12.997 -8.387 -5.924 1.00 0.00 C ATOM 233 O GLY A 16 -11.943 -7.791 -6.015 1.00 0.00 O ATOM 0 H GLY A 16 -11.011 -9.436 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.294 -10.520 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.893 -9.745 -4.512 1.00 0.00 H new ATOM 237 N TYR A 17 -14.126 -7.926 -6.400 1.00 0.00 N ATOM 238 CA TYR A 17 -14.149 -6.608 -7.093 1.00 0.00 C ATOM 239 C TYR A 17 -14.150 -5.451 -6.103 1.00 0.00 C ATOM 240 O TYR A 17 -14.794 -5.504 -5.075 1.00 0.00 O ATOM 241 CB TYR A 17 -15.428 -6.530 -7.976 1.00 0.00 C ATOM 242 CG TYR A 17 -15.157 -5.638 -9.208 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.166 -5.964 -10.112 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.897 -4.490 -9.418 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.916 -5.157 -11.204 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.647 -3.684 -10.510 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.655 -4.012 -11.411 1.00 0.00 C ATOM 248 OH TYR A 17 -14.406 -3.205 -12.504 1.00 0.00 O ATOM 0 H TYR A 17 -15.025 -8.403 -6.338 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.250 -6.524 -7.704 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.722 -7.530 -8.296 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.257 -6.124 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.580 -6.859 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.678 -4.221 -8.722 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -13.136 -5.425 -11.901 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.233 -2.789 -10.660 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.020 -2.442 -12.494 1.00 0.00 H new ATOM 258 N HIS A 18 -13.422 -4.418 -6.446 1.00 0.00 N ATOM 259 CA HIS A 18 -13.345 -3.226 -5.558 1.00 0.00 C ATOM 260 C HIS A 18 -13.293 -1.954 -6.391 1.00 0.00 C ATOM 261 O HIS A 18 -12.499 -1.841 -7.299 1.00 0.00 O ATOM 262 CB HIS A 18 -12.059 -3.317 -4.722 1.00 0.00 C ATOM 263 CG HIS A 18 -12.093 -4.584 -3.866 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.139 -5.376 -3.727 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.119 -5.104 -3.099 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.442 -6.340 -2.961 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.693 -6.253 -2.507 1.00 0.00 N ATOM 0 H HIS A 18 -12.877 -4.352 -7.306 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.224 -3.200 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.188 -3.331 -5.377 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.964 -2.438 -4.085 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.229 -5.262 -4.174 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.101 -4.668 -2.988 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.764 -7.141 -2.705 1.00 0.00 H new ATOM 275 N TYR A 19 -14.154 -1.034 -6.061 1.00 0.00 N ATOM 276 CA TYR A 19 -14.205 0.260 -6.801 1.00 0.00 C ATOM 277 C TYR A 19 -14.426 0.025 -8.302 1.00 0.00 C ATOM 278 O TYR A 19 -15.513 0.239 -8.800 1.00 0.00 O ATOM 279 CB TYR A 19 -12.856 1.027 -6.579 1.00 0.00 C ATOM 280 CG TYR A 19 -12.715 1.514 -5.103 1.00 0.00 C ATOM 281 CD1 TYR A 19 -13.825 1.890 -4.333 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.465 1.475 -4.473 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.688 2.190 -3.001 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.362 1.781 -3.127 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.467 2.138 -2.393 1.00 0.00 C ATOM 286 OH TYR A 19 -12.345 2.434 -1.056 1.00 0.00 O ATOM 0 H TYR A 19 -14.831 -1.122 -5.304 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.040 0.851 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.019 0.375 -6.830 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.807 1.883 -7.252 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.800 1.944 -4.794 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.583 1.207 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.558 2.471 -2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.396 1.738 -2.646 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.601 1.923 -0.675 1.00 0.00 H new ATOM 296 N GLY A 20 -13.406 -0.409 -9.003 1.00 0.00 N ATOM 297 CA GLY A 20 -13.589 -0.649 -10.477 1.00 0.00 C ATOM 298 C GLY A 20 -12.556 -1.649 -11.012 1.00 0.00 C ATOM 299 O GLY A 20 -12.129 -1.548 -12.140 1.00 0.00 O ATOM 0 H GLY A 20 -12.475 -0.605 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.594 -1.027 -10.664 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.498 0.294 -11.015 1.00 0.00 H new ATOM 303 N VAL A 21 -12.193 -2.600 -10.192 1.00 0.00 N ATOM 304 CA VAL A 21 -11.188 -3.619 -10.629 1.00 0.00 C ATOM 305 C VAL A 21 -11.231 -4.825 -9.717 1.00 0.00 C ATOM 306 O VAL A 21 -12.019 -4.895 -8.801 1.00 0.00 O ATOM 307 CB VAL A 21 -9.757 -3.019 -10.483 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.496 -1.954 -11.563 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.657 -2.380 -9.107 1.00 0.00 C ATOM 0 H VAL A 21 -12.546 -2.717 -9.242 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.415 -3.899 -11.658 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.015 -3.809 -10.602 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.491 -1.550 -11.440 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.587 -2.407 -12.550 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.225 -1.150 -11.464 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.664 -1.951 -8.976 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.407 -1.594 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.829 -3.136 -8.341 1.00 0.00 H new ATOM 319 N TRP A 22 -10.362 -5.748 -9.994 1.00 0.00 N ATOM 320 CA TRP A 22 -10.283 -6.989 -9.172 1.00 0.00 C ATOM 321 C TRP A 22 -9.049 -6.858 -8.310 1.00 0.00 C ATOM 322 O TRP A 22 -8.037 -7.425 -8.616 1.00 0.00 O ATOM 323 CB TRP A 22 -10.104 -8.202 -10.111 1.00 0.00 C ATOM 324 CG TRP A 22 -11.382 -8.420 -10.917 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.568 -7.936 -12.125 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.434 -9.089 -10.501 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.811 -8.338 -12.445 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.433 -9.081 -11.460 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.643 -9.752 -9.305 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.626 -9.731 -11.226 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.841 -10.402 -9.075 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.829 -10.390 -10.035 1.00 0.00 C ATOM 0 H TRP A 22 -9.693 -5.699 -10.763 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.182 -7.126 -8.570 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.263 -8.033 -10.783 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.873 -9.094 -9.529 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.883 -7.352 -12.721 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.255 -8.114 -13.336 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.870 -9.762 -8.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.402 -9.723 -11.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.003 -10.920 -8.141 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.764 -10.898 -9.853 1.00 0.00 H new ATOM 343 N SER A 23 -9.160 -6.092 -7.229 1.00 0.00 N ATOM 344 CA SER A 23 -7.980 -5.894 -6.317 1.00 0.00 C ATOM 345 C SER A 23 -8.109 -6.638 -5.020 1.00 0.00 C ATOM 346 O SER A 23 -9.188 -6.947 -4.558 1.00 0.00 O ATOM 347 CB SER A 23 -7.837 -4.374 -6.008 1.00 0.00 C ATOM 348 OG SER A 23 -9.109 -3.834 -6.309 1.00 0.00 O ATOM 0 H SER A 23 -10.010 -5.604 -6.948 1.00 0.00 H new ATOM 0 HA SER A 23 -7.103 -6.287 -6.831 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.569 -4.204 -4.965 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.057 -3.916 -6.616 1.00 0.00 H new ATOM 0 HG SER A 23 -9.039 -2.860 -6.396 1.00 0.00 H new ATOM 354 N CYS A 24 -6.979 -6.894 -4.459 1.00 0.00 N ATOM 355 CA CYS A 24 -6.944 -7.622 -3.172 1.00 0.00 C ATOM 356 C CYS A 24 -7.368 -6.697 -2.031 1.00 0.00 C ATOM 357 O CYS A 24 -7.333 -5.491 -2.167 1.00 0.00 O ATOM 358 CB CYS A 24 -5.505 -8.097 -2.931 1.00 0.00 C ATOM 359 SG CYS A 24 -4.304 -6.857 -2.401 1.00 0.00 S ATOM 0 H CYS A 24 -6.068 -6.631 -4.835 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.629 -8.469 -3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.531 -8.885 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.140 -8.549 -3.853 1.00 0.00 H new ATOM 364 N GLU A 25 -7.759 -7.275 -0.928 1.00 0.00 N ATOM 365 CA GLU A 25 -8.187 -6.436 0.223 1.00 0.00 C ATOM 366 C GLU A 25 -7.045 -5.573 0.742 1.00 0.00 C ATOM 367 O GLU A 25 -7.233 -4.414 1.047 1.00 0.00 O ATOM 368 CB GLU A 25 -8.653 -7.364 1.355 1.00 0.00 C ATOM 369 CG GLU A 25 -9.684 -8.350 0.804 1.00 0.00 C ATOM 370 CD GLU A 25 -10.303 -9.134 1.964 1.00 0.00 C ATOM 371 OE1 GLU A 25 -9.693 -9.110 3.021 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.352 -9.712 1.728 1.00 0.00 O ATOM 0 H GLU A 25 -7.800 -8.283 -0.776 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.990 -5.778 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.803 -7.904 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.088 -6.779 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.460 -7.815 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.210 -9.034 0.099 1.00 0.00 H new ATOM 379 N GLY A 26 -5.883 -6.148 0.833 1.00 0.00 N ATOM 380 CA GLY A 26 -4.715 -5.363 1.333 1.00 0.00 C ATOM 381 C GLY A 26 -4.648 -3.998 0.645 1.00 0.00 C ATOM 382 O GLY A 26 -4.526 -2.979 1.295 1.00 0.00 O ATOM 0 H GLY A 26 -5.687 -7.118 0.587 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.795 -5.229 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.793 -5.915 1.148 1.00 0.00 H new ATOM 386 N CYS A 27 -4.731 -4.004 -0.657 1.00 0.00 N ATOM 387 CA CYS A 27 -4.673 -2.718 -1.388 1.00 0.00 C ATOM 388 C CYS A 27 -5.840 -1.847 -0.994 1.00 0.00 C ATOM 389 O CYS A 27 -5.675 -0.884 -0.291 1.00 0.00 O ATOM 390 CB CYS A 27 -4.753 -3.013 -2.906 1.00 0.00 C ATOM 391 SG CYS A 27 -3.235 -3.524 -3.730 1.00 0.00 S ATOM 0 H CYS A 27 -4.835 -4.837 -1.237 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.745 -2.201 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.499 -3.793 -3.059 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.122 -2.117 -3.405 1.00 0.00 H new ATOM 396 N LYS A 28 -7.007 -2.215 -1.452 1.00 0.00 N ATOM 397 CA LYS A 28 -8.224 -1.420 -1.117 1.00 0.00 C ATOM 398 C LYS A 28 -8.166 -0.906 0.313 1.00 0.00 C ATOM 399 O LYS A 28 -8.536 0.205 0.584 1.00 0.00 O ATOM 400 CB LYS A 28 -9.456 -2.332 -1.272 1.00 0.00 C ATOM 401 CG LYS A 28 -10.734 -1.478 -1.223 1.00 0.00 C ATOM 402 CD LYS A 28 -11.936 -2.379 -0.923 1.00 0.00 C ATOM 403 CE LYS A 28 -13.187 -1.512 -0.772 1.00 0.00 C ATOM 404 NZ LYS A 28 -14.413 -2.358 -0.803 1.00 0.00 N ATOM 0 H LYS A 28 -7.170 -3.030 -2.043 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.283 -0.563 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.404 -2.874 -2.216 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.473 -3.077 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.642 -0.709 -0.456 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.878 -0.965 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.074 -3.101 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.761 -2.948 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.143 -0.959 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.226 -0.775 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.254 -1.755 -0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.461 -2.866 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.381 -3.044 -0.022 1.00 0.00 H new ATOM 418 N ALA A 29 -7.687 -1.723 1.197 1.00 0.00 N ATOM 419 CA ALA A 29 -7.604 -1.278 2.600 1.00 0.00 C ATOM 420 C ALA A 29 -6.632 -0.125 2.709 1.00 0.00 C ATOM 421 O ALA A 29 -6.940 0.898 3.287 1.00 0.00 O ATOM 422 CB ALA A 29 -7.109 -2.454 3.465 1.00 0.00 C ATOM 0 H ALA A 29 -7.353 -2.669 1.010 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.585 -0.951 2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.043 -2.138 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.808 -3.286 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.125 -2.771 3.119 1.00 0.00 H new ATOM 428 N PHE A 30 -5.475 -0.306 2.155 1.00 0.00 N ATOM 429 CA PHE A 30 -4.478 0.776 2.217 1.00 0.00 C ATOM 430 C PHE A 30 -4.961 1.934 1.390 1.00 0.00 C ATOM 431 O PHE A 30 -5.083 3.047 1.858 1.00 0.00 O ATOM 432 CB PHE A 30 -3.144 0.270 1.588 1.00 0.00 C ATOM 433 CG PHE A 30 -2.287 1.488 1.132 1.00 0.00 C ATOM 434 CD1 PHE A 30 -1.704 2.339 2.065 1.00 0.00 C ATOM 435 CD2 PHE A 30 -2.154 1.788 -0.217 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.010 3.466 1.647 1.00 0.00 C ATOM 437 CE2 PHE A 30 -1.459 2.915 -0.618 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.890 3.744 0.321 1.00 0.00 C ATOM 0 H PHE A 30 -5.181 -1.151 1.666 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.329 1.077 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.591 -0.326 2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.354 -0.379 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.792 2.122 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.596 1.138 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.564 4.125 2.377 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.363 3.144 -1.669 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.345 4.621 0.003 1.00 0.00 H new ATOM 448 N PHE A 31 -5.225 1.631 0.168 1.00 0.00 N ATOM 449 CA PHE A 31 -5.696 2.650 -0.746 1.00 0.00 C ATOM 450 C PHE A 31 -6.844 3.442 -0.155 1.00 0.00 C ATOM 451 O PHE A 31 -6.866 4.627 -0.289 1.00 0.00 O ATOM 452 CB PHE A 31 -6.118 1.943 -2.036 1.00 0.00 C ATOM 453 CG PHE A 31 -6.662 2.961 -3.052 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.891 4.011 -3.484 1.00 0.00 C ATOM 455 CD2 PHE A 31 -7.964 2.874 -3.481 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.419 4.967 -4.313 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.504 3.827 -4.312 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.725 4.880 -4.733 1.00 0.00 C ATOM 0 H PHE A 31 -5.129 0.698 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.903 3.370 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.267 1.413 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.881 1.196 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.861 4.085 -3.169 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.574 2.043 -3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.805 5.794 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.533 3.750 -4.632 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.137 5.633 -5.389 1.00 0.00 H new ATOM 468 N LYS A 32 -7.768 2.788 0.520 1.00 0.00 N ATOM 469 CA LYS A 32 -8.905 3.573 1.106 1.00 0.00 C ATOM 470 C LYS A 32 -8.452 4.352 2.306 1.00 0.00 C ATOM 471 O LYS A 32 -8.792 5.508 2.468 1.00 0.00 O ATOM 472 CB LYS A 32 -10.054 2.619 1.520 1.00 0.00 C ATOM 473 CG LYS A 32 -11.371 3.404 1.552 1.00 0.00 C ATOM 474 CD LYS A 32 -12.523 2.449 1.870 1.00 0.00 C ATOM 475 CE LYS A 32 -13.844 3.220 1.812 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.952 2.408 2.390 1.00 0.00 N ATOM 0 H LYS A 32 -7.785 1.782 0.686 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.262 4.269 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.127 1.790 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.850 2.187 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.319 4.192 2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.541 3.890 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.537 1.626 1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.386 2.011 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.749 4.157 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.076 3.478 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.840 2.948 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.054 1.525 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.737 2.184 3.382 1.00 0.00 H new ATOM 490 N ARG A 33 -7.700 3.724 3.126 1.00 0.00 N ATOM 491 CA ARG A 33 -7.218 4.414 4.314 1.00 0.00 C ATOM 492 C ARG A 33 -6.321 5.560 3.892 1.00 0.00 C ATOM 493 O ARG A 33 -5.975 6.412 4.686 1.00 0.00 O ATOM 494 CB ARG A 33 -6.387 3.407 5.119 1.00 0.00 C ATOM 495 CG ARG A 33 -6.086 3.966 6.526 1.00 0.00 C ATOM 496 CD ARG A 33 -7.399 4.127 7.329 1.00 0.00 C ATOM 497 NE ARG A 33 -7.893 5.523 7.173 1.00 0.00 N ATOM 498 CZ ARG A 33 -7.252 6.498 7.757 1.00 0.00 C ATOM 499 NH1 ARG A 33 -6.752 6.303 8.947 1.00 0.00 N ATOM 500 NH2 ARG A 33 -7.130 7.637 7.130 1.00 0.00 N ATOM 0 H ARG A 33 -7.396 2.756 3.024 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.049 4.801 4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.927 2.464 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.454 3.195 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.408 3.296 7.054 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.582 4.929 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.148 3.420 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.226 3.904 8.382 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.725 5.715 6.615 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.865 5.399 9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.248 7.054 9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.532 7.753 6.200 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.632 8.411 7.570 1.00 0.00 H new ATOM 514 N SER A 34 -5.968 5.565 2.615 1.00 0.00 N ATOM 515 CA SER A 34 -5.073 6.654 2.089 1.00 0.00 C ATOM 516 C SER A 34 -5.713 7.617 1.042 1.00 0.00 C ATOM 517 O SER A 34 -5.941 8.769 1.349 1.00 0.00 O ATOM 518 CB SER A 34 -3.875 5.947 1.417 1.00 0.00 C ATOM 519 OG SER A 34 -3.015 5.624 2.499 1.00 0.00 O ATOM 0 H SER A 34 -6.259 4.870 1.927 1.00 0.00 H new ATOM 0 HA SER A 34 -4.815 7.287 2.938 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.190 5.054 0.877 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.381 6.598 0.695 1.00 0.00 H new ATOM 0 HG SER A 34 -2.444 4.868 2.248 1.00 0.00 H new ATOM 525 N ILE A 35 -6.040 7.104 -0.148 1.00 0.00 N ATOM 526 CA ILE A 35 -6.652 7.993 -1.231 1.00 0.00 C ATOM 527 C ILE A 35 -6.067 9.415 -1.168 1.00 0.00 C ATOM 528 O ILE A 35 -5.056 9.647 -0.539 1.00 0.00 O ATOM 529 CB ILE A 35 -8.224 8.039 -1.144 1.00 0.00 C ATOM 530 CG1 ILE A 35 -8.780 6.656 -0.807 1.00 0.00 C ATOM 531 CG2 ILE A 35 -8.815 8.449 -2.542 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.514 5.682 -2.008 1.00 0.00 C ATOM 0 H ILE A 35 -5.913 6.127 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.392 7.549 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.500 8.757 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.309 6.273 0.098 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.849 6.721 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.903 8.481 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.438 9.433 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.514 7.718 -3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.910 4.695 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.006 6.064 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.441 5.610 -2.187 1.00 0.00 H new ATOM 544 N GLN A 36 -6.676 10.316 -1.879 1.00 0.00 N ATOM 545 CA GLN A 36 -6.192 11.713 -1.891 1.00 0.00 C ATOM 546 C GLN A 36 -4.797 11.775 -2.469 1.00 0.00 C ATOM 547 O GLN A 36 -3.965 10.932 -2.203 1.00 0.00 O ATOM 548 CB GLN A 36 -6.169 12.284 -0.476 1.00 0.00 C ATOM 549 CG GLN A 36 -7.492 11.957 0.221 1.00 0.00 C ATOM 550 CD GLN A 36 -7.624 12.814 1.481 1.00 0.00 C ATOM 551 OE1 GLN A 36 -7.167 12.448 2.546 1.00 0.00 O ATOM 552 NE2 GLN A 36 -8.241 13.962 1.405 1.00 0.00 N ATOM 0 H GLN A 36 -7.497 10.139 -2.458 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.872 12.302 -2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.335 11.863 0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.019 13.363 -0.509 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.328 12.148 -0.452 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.528 10.899 0.481 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.627 14.276 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.337 14.545 2.236 1.00 0.00 H new ATOM 561 N GLY A 37 -4.562 12.790 -3.229 1.00 0.00 N ATOM 562 CA GLY A 37 -3.217 12.953 -3.860 1.00 0.00 C ATOM 563 C GLY A 37 -2.319 13.800 -2.978 1.00 0.00 C ATOM 564 O GLY A 37 -1.283 13.366 -2.531 1.00 0.00 O ATOM 0 H GLY A 37 -5.237 13.522 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.763 11.975 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.322 13.420 -4.839 1.00 0.00 H new ATOM 568 N HIS A 38 -2.737 15.004 -2.776 1.00 0.00 N ATOM 569 CA HIS A 38 -1.946 15.936 -1.927 1.00 0.00 C ATOM 570 C HIS A 38 -1.934 15.485 -0.462 1.00 0.00 C ATOM 571 O HIS A 38 -2.902 15.655 0.251 1.00 0.00 O ATOM 572 CB HIS A 38 -2.592 17.328 -2.008 1.00 0.00 C ATOM 573 CG HIS A 38 -2.704 17.751 -3.475 1.00 0.00 C ATOM 574 ND1 HIS A 38 -1.789 18.282 -4.138 1.00 0.00 N ATOM 575 CD2 HIS A 38 -3.776 17.648 -4.343 1.00 0.00 C ATOM 576 CE1 HIS A 38 -2.158 18.528 -5.326 1.00 0.00 C ATOM 577 NE2 HIS A 38 -3.418 18.156 -5.554 1.00 0.00 N ATOM 0 H HIS A 38 -3.597 15.393 -3.161 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.918 15.952 -2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.579 17.310 -1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.994 18.052 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.742 17.231 -4.099 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.523 18.987 -6.069 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.968 18.232 -6.410 1.00 0.00 H new ATOM 585 N ASN A 39 -0.825 14.927 -0.050 1.00 0.00 N ATOM 586 CA ASN A 39 -0.693 14.449 1.358 1.00 0.00 C ATOM 587 C ASN A 39 0.689 13.847 1.570 1.00 0.00 C ATOM 588 O ASN A 39 1.334 13.441 0.623 1.00 0.00 O ATOM 589 CB ASN A 39 -1.761 13.378 1.623 1.00 0.00 C ATOM 590 CG ASN A 39 -1.789 12.370 0.473 1.00 0.00 C ATOM 591 OD1 ASN A 39 -0.837 12.393 -0.412 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -2.680 11.551 0.374 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.000 14.781 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.827 15.287 2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.549 12.866 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.739 13.847 1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.430 11.527 1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.678 10.887 -0.400 1.00 0.00 H new ATOM 599 N ASP A 40 1.145 13.800 2.797 1.00 0.00 N ATOM 600 CA ASP A 40 2.493 13.214 3.020 1.00 0.00 C ATOM 601 C ASP A 40 2.507 11.768 2.583 1.00 0.00 C ATOM 602 O ASP A 40 1.847 10.928 3.161 1.00 0.00 O ATOM 603 CB ASP A 40 2.851 13.278 4.493 1.00 0.00 C ATOM 604 CG ASP A 40 1.723 12.664 5.323 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.762 13.383 5.547 1.00 0.00 O ATOM 606 OD2 ASP A 40 1.885 11.511 5.687 1.00 0.00 O ATOM 0 H ASP A 40 0.656 14.132 3.628 1.00 0.00 H new ATOM 0 HA ASP A 40 3.217 13.784 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.783 12.742 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.015 14.313 4.793 1.00 0.00 H new ATOM 611 N TYR A 41 3.264 11.509 1.576 1.00 0.00 N ATOM 612 CA TYR A 41 3.363 10.115 1.041 1.00 0.00 C ATOM 613 C TYR A 41 4.733 9.905 0.399 1.00 0.00 C ATOM 614 O TYR A 41 5.139 10.672 -0.451 1.00 0.00 O ATOM 615 CB TYR A 41 2.262 9.926 -0.070 1.00 0.00 C ATOM 616 CG TYR A 41 0.933 9.448 0.552 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.140 10.317 1.260 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.516 8.141 0.402 1.00 0.00 C ATOM 619 CE1 TYR A 41 -1.039 9.905 1.822 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.680 7.712 0.966 1.00 0.00 C ATOM 621 CZ TYR A 41 -1.466 8.599 1.685 1.00 0.00 C ATOM 622 OH TYR A 41 -2.643 8.183 2.271 1.00 0.00 O ATOM 0 H TYR A 41 3.831 12.200 1.085 1.00 0.00 H new ATOM 0 HA TYR A 41 3.223 9.402 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.105 10.867 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.605 9.201 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.452 11.345 1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.124 7.446 -0.158 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -1.641 10.609 2.378 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.997 6.687 0.844 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.518 7.292 2.659 1.00 0.00 H new ATOM 632 N MET A 42 5.427 8.873 0.812 1.00 0.00 N ATOM 633 CA MET A 42 6.774 8.617 0.217 1.00 0.00 C ATOM 634 C MET A 42 7.072 7.120 0.173 1.00 0.00 C ATOM 635 O MET A 42 6.578 6.354 0.978 1.00 0.00 O ATOM 636 CB MET A 42 7.853 9.339 1.086 1.00 0.00 C ATOM 637 CG MET A 42 8.893 10.012 0.173 1.00 0.00 C ATOM 638 SD MET A 42 10.436 10.567 0.937 1.00 0.00 S ATOM 639 CE MET A 42 9.691 11.486 2.305 1.00 0.00 C ATOM 0 H MET A 42 5.125 8.207 1.523 1.00 0.00 H new ATOM 0 HA MET A 42 6.791 9.000 -0.804 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.379 10.085 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 42 8.343 8.621 1.744 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.144 9.312 -0.624 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.421 10.874 -0.297 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.449 12.108 2.781 1.00 0.00 H new ATOM 0 HE2 MET A 42 8.889 12.119 1.924 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.285 10.786 3.035 1.00 0.00 H new ATOM 649 N CYS A 43 7.883 6.744 -0.777 1.00 0.00 N ATOM 650 CA CYS A 43 8.261 5.302 -0.935 1.00 0.00 C ATOM 651 C CYS A 43 9.715 5.088 -0.454 1.00 0.00 C ATOM 652 O CYS A 43 10.480 6.032 -0.394 1.00 0.00 O ATOM 653 CB CYS A 43 8.162 4.962 -2.450 1.00 0.00 C ATOM 654 SG CYS A 43 9.420 3.873 -3.175 1.00 0.00 S ATOM 0 H CYS A 43 8.306 7.375 -1.458 1.00 0.00 H new ATOM 0 HA CYS A 43 7.602 4.663 -0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.188 4.506 -2.625 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.178 5.901 -3.003 1.00 0.00 H new ATOM 659 N PRO A 44 10.071 3.849 -0.087 1.00 0.00 N ATOM 660 CA PRO A 44 11.439 3.555 0.382 1.00 0.00 C ATOM 661 C PRO A 44 12.519 3.850 -0.694 1.00 0.00 C ATOM 662 O PRO A 44 13.590 3.277 -0.660 1.00 0.00 O ATOM 663 CB PRO A 44 11.423 2.024 0.719 1.00 0.00 C ATOM 664 CG PRO A 44 10.012 1.476 0.312 1.00 0.00 C ATOM 665 CD PRO A 44 9.136 2.700 -0.052 1.00 0.00 C ATOM 0 HA PRO A 44 11.698 4.184 1.234 1.00 0.00 H new ATOM 0 HB2 PRO A 44 12.210 1.502 0.175 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.607 1.862 1.781 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.093 0.795 -0.535 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.566 0.913 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.646 2.561 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.349 2.855 0.686 1.00 0.00 H new ATOM 673 N ALA A 45 12.220 4.728 -1.620 1.00 0.00 N ATOM 674 CA ALA A 45 13.214 5.054 -2.677 1.00 0.00 C ATOM 675 C ALA A 45 12.981 6.422 -3.136 1.00 0.00 C ATOM 676 O ALA A 45 13.866 7.080 -3.649 1.00 0.00 O ATOM 677 CB ALA A 45 13.012 4.104 -3.845 1.00 0.00 C ATOM 0 H ALA A 45 11.334 5.228 -1.686 1.00 0.00 H new ATOM 0 HA ALA A 45 14.226 4.958 -2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.735 4.332 -4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.154 3.077 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 45 12.002 4.220 -4.238 1.00 0.00 H new ATOM 683 N THR A 46 11.786 6.836 -2.975 1.00 0.00 N ATOM 684 CA THR A 46 11.437 8.182 -3.386 1.00 0.00 C ATOM 685 C THR A 46 11.842 8.426 -4.850 1.00 0.00 C ATOM 686 O THR A 46 12.526 9.375 -5.170 1.00 0.00 O ATOM 687 CB THR A 46 12.199 9.139 -2.435 1.00 0.00 C ATOM 688 OG1 THR A 46 11.411 9.180 -1.261 1.00 0.00 O ATOM 689 CG2 THR A 46 12.199 10.601 -2.939 1.00 0.00 C ATOM 0 H THR A 46 11.026 6.290 -2.570 1.00 0.00 H new ATOM 0 HA THR A 46 10.361 8.346 -3.327 1.00 0.00 H new ATOM 0 HB THR A 46 13.226 8.790 -2.328 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.474 10.070 -0.855 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.746 11.228 -2.235 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.678 10.649 -3.917 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.172 10.958 -3.021 1.00 0.00 H new ATOM 697 N ASN A 47 11.407 7.546 -5.709 1.00 0.00 N ATOM 698 CA ASN A 47 11.741 7.692 -7.148 1.00 0.00 C ATOM 699 C ASN A 47 10.830 6.808 -7.994 1.00 0.00 C ATOM 700 O ASN A 47 11.216 6.345 -9.046 1.00 0.00 O ATOM 701 CB ASN A 47 13.207 7.243 -7.356 1.00 0.00 C ATOM 702 CG ASN A 47 14.151 8.375 -6.949 1.00 0.00 C ATOM 703 OD1 ASN A 47 13.913 9.531 -7.238 1.00 0.00 O ATOM 704 ND2 ASN A 47 15.234 8.087 -6.279 1.00 0.00 N ATOM 0 H ASN A 47 10.836 6.734 -5.474 1.00 0.00 H new ATOM 0 HA ASN A 47 11.607 8.731 -7.449 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.413 6.352 -6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.372 6.976 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.875 8.830 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.439 7.119 -6.033 1.00 0.00 H new ATOM 711 N GLN A 48 9.629 6.597 -7.514 1.00 0.00 N ATOM 712 CA GLN A 48 8.674 5.747 -8.272 1.00 0.00 C ATOM 713 C GLN A 48 9.277 4.373 -8.529 1.00 0.00 C ATOM 714 O GLN A 48 10.219 4.236 -9.283 1.00 0.00 O ATOM 715 CB GLN A 48 8.374 6.422 -9.620 1.00 0.00 C ATOM 716 CG GLN A 48 7.145 5.760 -10.246 1.00 0.00 C ATOM 717 CD GLN A 48 5.889 6.210 -9.498 1.00 0.00 C ATOM 718 OE1 GLN A 48 5.066 5.406 -9.106 1.00 0.00 O ATOM 719 NE2 GLN A 48 5.702 7.482 -9.280 1.00 0.00 N ATOM 0 H GLN A 48 9.275 6.976 -6.636 1.00 0.00 H new ATOM 0 HA GLN A 48 7.759 5.629 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.195 7.488 -9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.232 6.330 -10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.070 6.029 -11.300 1.00 0.00 H new ATOM 0 HG3 GLN A 48 7.240 4.675 -10.200 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.389 8.162 -9.606 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.869 7.797 -8.783 1.00 0.00 H new ATOM 728 N CYS A 49 8.717 3.367 -7.903 1.00 0.00 N ATOM 729 CA CYS A 49 9.253 1.986 -8.102 1.00 0.00 C ATOM 730 C CYS A 49 8.140 0.944 -8.021 1.00 0.00 C ATOM 731 O CYS A 49 7.205 1.083 -7.258 1.00 0.00 O ATOM 732 CB CYS A 49 10.280 1.714 -6.985 1.00 0.00 C ATOM 733 SG CYS A 49 9.688 0.871 -5.499 1.00 0.00 S ATOM 0 H CYS A 49 7.921 3.441 -7.270 1.00 0.00 H new ATOM 0 HA CYS A 49 9.710 1.916 -9.089 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.090 1.120 -7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 49 10.709 2.669 -6.682 1.00 0.00 H new ATOM 738 N THR A 50 8.270 -0.085 -8.817 1.00 0.00 N ATOM 739 CA THR A 50 7.240 -1.158 -8.819 1.00 0.00 C ATOM 740 C THR A 50 6.979 -1.684 -7.411 1.00 0.00 C ATOM 741 O THR A 50 7.621 -1.281 -6.461 1.00 0.00 O ATOM 742 CB THR A 50 7.757 -2.314 -9.687 1.00 0.00 C ATOM 743 OG1 THR A 50 8.003 -1.744 -10.957 1.00 0.00 O ATOM 744 CG2 THR A 50 6.655 -3.358 -9.941 1.00 0.00 C ATOM 0 H THR A 50 9.045 -0.226 -9.464 1.00 0.00 H new ATOM 0 HA THR A 50 6.308 -0.749 -9.209 1.00 0.00 H new ATOM 0 HB THR A 50 8.614 -2.780 -9.201 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.340 -2.434 -11.566 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.052 -4.164 -10.558 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.313 -3.765 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.818 -2.886 -10.455 1.00 0.00 H new ATOM 752 N ILE A 51 6.030 -2.586 -7.307 1.00 0.00 N ATOM 753 CA ILE A 51 5.692 -3.168 -5.974 1.00 0.00 C ATOM 754 C ILE A 51 5.199 -4.615 -6.131 1.00 0.00 C ATOM 755 O ILE A 51 5.014 -5.091 -7.234 1.00 0.00 O ATOM 756 CB ILE A 51 4.582 -2.292 -5.337 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.476 -2.583 -3.830 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.219 -2.609 -6.008 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.467 -1.639 -3.194 1.00 0.00 C ATOM 0 H ILE A 51 5.478 -2.941 -8.088 1.00 0.00 H new ATOM 0 HA ILE A 51 6.576 -3.182 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 51 4.835 -1.242 -5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.171 -3.617 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.450 -2.461 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.440 -1.992 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.280 -2.396 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.978 -3.662 -5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.395 -1.849 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.790 -0.608 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.491 -1.783 -3.658 1.00 0.00 H new ATOM 771 N ASP A 52 4.999 -5.283 -5.019 1.00 0.00 N ATOM 772 CA ASP A 52 4.519 -6.703 -5.065 1.00 0.00 C ATOM 773 C ASP A 52 3.394 -6.923 -4.051 1.00 0.00 C ATOM 774 O ASP A 52 2.237 -6.701 -4.349 1.00 0.00 O ATOM 775 CB ASP A 52 5.703 -7.624 -4.710 1.00 0.00 C ATOM 776 CG ASP A 52 6.498 -7.007 -3.559 1.00 0.00 C ATOM 777 OD1 ASP A 52 5.913 -6.182 -2.877 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.647 -7.395 -3.425 1.00 0.00 O ATOM 0 H ASP A 52 5.147 -4.907 -4.082 1.00 0.00 H new ATOM 0 HA ASP A 52 4.138 -6.925 -6.062 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.338 -8.611 -4.427 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.346 -7.760 -5.579 1.00 0.00 H new ATOM 783 N LYS A 53 3.754 -7.356 -2.868 1.00 0.00 N ATOM 784 CA LYS A 53 2.715 -7.595 -1.826 1.00 0.00 C ATOM 785 C LYS A 53 3.321 -7.527 -0.431 1.00 0.00 C ATOM 786 O LYS A 53 4.409 -8.015 -0.199 1.00 0.00 O ATOM 787 CB LYS A 53 2.129 -9.001 -2.035 1.00 0.00 C ATOM 788 CG LYS A 53 0.859 -9.148 -1.188 1.00 0.00 C ATOM 789 CD LYS A 53 0.471 -10.628 -1.116 1.00 0.00 C ATOM 790 CE LYS A 53 -0.780 -10.778 -0.246 1.00 0.00 C ATOM 791 NZ LYS A 53 -1.815 -9.781 -0.641 1.00 0.00 N ATOM 0 H LYS A 53 4.714 -7.552 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 53 1.944 -6.829 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.898 -9.159 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.860 -9.759 -1.751 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.028 -8.755 -0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.047 -8.567 -1.625 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.281 -11.016 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.291 -11.212 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.181 -11.786 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.518 -10.643 0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.760 -10.157 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.665 -8.897 -0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.744 -9.592 -1.661 1.00 0.00 H new ATOM 805 N ASN A 54 2.601 -6.923 0.477 1.00 0.00 N ATOM 806 CA ASN A 54 3.117 -6.812 1.864 1.00 0.00 C ATOM 807 C ASN A 54 1.979 -6.542 2.840 1.00 0.00 C ATOM 808 O ASN A 54 1.426 -7.454 3.422 1.00 0.00 O ATOM 809 CB ASN A 54 4.104 -5.637 1.919 1.00 0.00 C ATOM 810 CG ASN A 54 5.397 -6.030 1.202 1.00 0.00 C ATOM 811 OD1 ASN A 54 5.803 -5.404 0.242 1.00 0.00 O ATOM 812 ND2 ASN A 54 6.072 -7.060 1.633 1.00 0.00 N ATOM 0 H ASN A 54 1.684 -6.506 0.316 1.00 0.00 H new ATOM 0 HA ASN A 54 3.604 -7.747 2.142 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.666 -4.757 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.315 -5.372 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.935 -7.336 1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.736 -7.589 2.438 1.00 0.00 H new ATOM 819 N ARG A 55 1.650 -5.291 3.002 1.00 0.00 N ATOM 820 CA ARG A 55 0.557 -4.937 3.930 1.00 0.00 C ATOM 821 C ARG A 55 0.134 -3.500 3.722 1.00 0.00 C ATOM 822 O ARG A 55 -0.726 -3.197 2.919 1.00 0.00 O ATOM 823 CB ARG A 55 1.072 -5.131 5.390 1.00 0.00 C ATOM 824 CG ARG A 55 2.591 -4.880 5.438 1.00 0.00 C ATOM 825 CD ARG A 55 3.022 -4.623 6.887 1.00 0.00 C ATOM 826 NE ARG A 55 4.497 -4.807 6.993 1.00 0.00 N ATOM 827 CZ ARG A 55 5.040 -4.980 8.168 1.00 0.00 C ATOM 828 NH1 ARG A 55 4.321 -4.758 9.234 1.00 0.00 N ATOM 829 NH2 ARG A 55 6.284 -5.370 8.236 1.00 0.00 N ATOM 0 H ARG A 55 2.094 -4.504 2.529 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.306 -5.577 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.558 -4.444 6.062 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.849 -6.141 5.734 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.125 -5.741 5.036 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.849 -4.025 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.746 -3.613 7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.507 -5.309 7.560 1.00 0.00 H new ATOM 0 HE ARG A 55 5.078 -4.798 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.352 -4.455 9.141 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.728 -4.888 10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.814 -5.534 7.380 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.725 -5.511 9.145 1.00 0.00 H new ATOM 843 N ARG A 56 0.746 -2.663 4.447 1.00 0.00 N ATOM 844 CA ARG A 56 0.435 -1.217 4.349 1.00 0.00 C ATOM 845 C ARG A 56 1.477 -0.395 5.095 1.00 0.00 C ATOM 846 O ARG A 56 1.165 0.611 5.700 1.00 0.00 O ATOM 847 CB ARG A 56 -0.940 -0.973 4.990 1.00 0.00 C ATOM 848 CG ARG A 56 -0.887 -1.379 6.463 1.00 0.00 C ATOM 849 CD ARG A 56 -2.311 -1.463 7.012 1.00 0.00 C ATOM 850 NE ARG A 56 -2.257 -1.914 8.430 1.00 0.00 N ATOM 851 CZ ARG A 56 -1.654 -1.170 9.316 1.00 0.00 C ATOM 852 NH1 ARG A 56 -1.958 0.098 9.388 1.00 0.00 N ATOM 853 NH2 ARG A 56 -0.765 -1.716 10.099 1.00 0.00 N ATOM 0 H ARG A 56 1.469 -2.904 5.125 1.00 0.00 H new ATOM 0 HA ARG A 56 0.436 -0.919 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.215 0.078 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.705 -1.549 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.386 -2.341 6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.307 -0.653 7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.799 -0.491 6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.903 -2.159 6.418 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.687 -2.797 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.657 0.492 8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.497 0.695 10.075 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.551 -2.710 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.284 -1.149 10.797 1.00 0.00 H new ATOM 867 N LYS A 57 2.709 -0.843 5.033 1.00 0.00 N ATOM 868 CA LYS A 57 3.806 -0.108 5.730 1.00 0.00 C ATOM 869 C LYS A 57 5.097 -0.191 4.927 1.00 0.00 C ATOM 870 O LYS A 57 6.087 -0.721 5.391 1.00 0.00 O ATOM 871 CB LYS A 57 4.033 -0.772 7.099 1.00 0.00 C ATOM 872 CG LYS A 57 4.909 0.137 7.964 1.00 0.00 C ATOM 873 CD LYS A 57 4.932 -0.407 9.395 1.00 0.00 C ATOM 874 CE LYS A 57 5.922 0.412 10.227 1.00 0.00 C ATOM 875 NZ LYS A 57 7.324 0.047 9.875 1.00 0.00 N ATOM 0 H LYS A 57 2.999 -1.683 4.531 1.00 0.00 H new ATOM 0 HA LYS A 57 3.527 0.940 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.077 -0.951 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.512 -1.742 6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.921 0.179 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.520 1.155 7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.936 -0.352 9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.222 -1.458 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.761 1.476 10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.749 0.234 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.972 0.424 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.414 -0.988 9.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.565 0.451 8.947 1.00 0.00 H new ATOM 889 N SER A 58 5.063 0.333 3.735 1.00 0.00 N ATOM 890 CA SER A 58 6.278 0.293 2.887 1.00 0.00 C ATOM 891 C SER A 58 6.130 1.226 1.688 1.00 0.00 C ATOM 892 O SER A 58 6.343 2.417 1.796 1.00 0.00 O ATOM 893 CB SER A 58 6.468 -1.146 2.384 1.00 0.00 C ATOM 894 OG SER A 58 5.194 -1.506 1.873 1.00 0.00 O ATOM 0 H SER A 58 4.250 0.784 3.316 1.00 0.00 H new ATOM 0 HA SER A 58 7.138 0.617 3.473 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.236 -1.200 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.777 -1.812 3.190 1.00 0.00 H new ATOM 0 HG SER A 58 5.307 -2.059 1.072 1.00 0.00 H new ATOM 900 N CYS A 59 5.765 0.666 0.559 1.00 0.00 N ATOM 901 CA CYS A 59 5.598 1.501 -0.658 1.00 0.00 C ATOM 902 C CYS A 59 4.168 2.047 -0.707 1.00 0.00 C ATOM 903 O CYS A 59 3.363 1.639 -1.515 1.00 0.00 O ATOM 904 CB CYS A 59 5.890 0.584 -1.889 1.00 0.00 C ATOM 905 SG CYS A 59 7.560 0.669 -2.611 1.00 0.00 S ATOM 0 H CYS A 59 5.578 -0.329 0.434 1.00 0.00 H new ATOM 0 HA CYS A 59 6.279 2.352 -0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.701 -0.448 -1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.171 0.828 -2.671 1.00 0.00 H new ATOM 910 N GLN A 60 3.888 2.956 0.185 1.00 0.00 N ATOM 911 CA GLN A 60 2.535 3.552 0.228 1.00 0.00 C ATOM 912 C GLN A 60 2.353 4.556 -0.895 1.00 0.00 C ATOM 913 O GLN A 60 1.358 4.548 -1.578 1.00 0.00 O ATOM 914 CB GLN A 60 2.374 4.279 1.572 1.00 0.00 C ATOM 915 CG GLN A 60 2.261 3.243 2.695 1.00 0.00 C ATOM 916 CD GLN A 60 2.433 3.940 4.048 1.00 0.00 C ATOM 917 OE1 GLN A 60 1.492 4.462 4.614 1.00 0.00 O ATOM 918 NE2 GLN A 60 3.615 3.971 4.600 1.00 0.00 N ATOM 0 H GLN A 60 4.542 3.308 0.884 1.00 0.00 H new ATOM 0 HA GLN A 60 1.791 2.763 0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.227 4.934 1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.486 4.911 1.553 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.292 2.746 2.650 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.021 2.472 2.571 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.409 3.535 4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.745 4.431 5.501 1.00 0.00 H new ATOM 927 N ALA A 61 3.333 5.384 -1.089 1.00 0.00 N ATOM 928 CA ALA A 61 3.216 6.398 -2.174 1.00 0.00 C ATOM 929 C ALA A 61 3.358 5.742 -3.525 1.00 0.00 C ATOM 930 O ALA A 61 3.119 6.348 -4.551 1.00 0.00 O ATOM 931 CB ALA A 61 4.310 7.439 -1.982 1.00 0.00 C ATOM 0 H ALA A 61 4.201 5.407 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 61 2.236 6.873 -2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.239 8.190 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.190 7.918 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.285 6.955 -2.029 1.00 0.00 H new ATOM 937 N CYS A 62 3.749 4.507 -3.495 1.00 0.00 N ATOM 938 CA CYS A 62 3.925 3.738 -4.753 1.00 0.00 C ATOM 939 C CYS A 62 2.664 2.916 -4.965 1.00 0.00 C ATOM 940 O CYS A 62 2.069 2.941 -6.017 1.00 0.00 O ATOM 941 CB CYS A 62 5.157 2.796 -4.561 1.00 0.00 C ATOM 942 SG CYS A 62 6.632 3.098 -5.542 1.00 0.00 S ATOM 0 H CYS A 62 3.958 3.988 -2.642 1.00 0.00 H new ATOM 0 HA CYS A 62 4.090 4.386 -5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.444 2.837 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.829 1.776 -4.762 1.00 0.00 H new ATOM 947 N ARG A 63 2.290 2.191 -3.943 1.00 0.00 N ATOM 948 CA ARG A 63 1.078 1.368 -4.054 1.00 0.00 C ATOM 949 C ARG A 63 -0.078 2.288 -4.335 1.00 0.00 C ATOM 950 O ARG A 63 -1.004 1.942 -5.037 1.00 0.00 O ATOM 951 CB ARG A 63 0.845 0.652 -2.714 1.00 0.00 C ATOM 952 CG ARG A 63 -0.256 -0.394 -2.884 1.00 0.00 C ATOM 953 CD ARG A 63 -0.304 -1.273 -1.632 1.00 0.00 C ATOM 954 NE ARG A 63 -1.264 -2.395 -1.869 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.073 -3.549 -1.282 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.010 -4.222 -1.558 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.969 -3.987 -0.441 1.00 0.00 N ATOM 0 H ARG A 63 2.776 2.141 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 63 1.178 0.629 -4.849 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.766 0.176 -2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.562 1.373 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.218 0.094 -3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.063 -1.005 -3.766 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.688 -1.666 -1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.616 -0.685 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.065 -2.261 -2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.689 -3.847 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.178 -5.123 -1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.803 -3.432 -0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.835 -4.884 0.025 1.00 0.00 H new ATOM 971 N LEU A 64 0.003 3.463 -3.762 1.00 0.00 N ATOM 972 CA LEU A 64 -1.066 4.451 -3.967 1.00 0.00 C ATOM 973 C LEU A 64 -1.030 4.898 -5.385 1.00 0.00 C ATOM 974 O LEU A 64 -1.963 4.706 -6.126 1.00 0.00 O ATOM 975 CB LEU A 64 -0.779 5.667 -3.071 1.00 0.00 C ATOM 976 CG LEU A 64 -1.878 6.748 -3.225 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.183 6.290 -2.471 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.343 8.052 -2.597 1.00 0.00 C ATOM 0 H LEU A 64 0.770 3.768 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.037 4.017 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.721 5.349 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.191 6.092 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.121 6.901 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.954 7.053 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.538 5.351 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.961 6.149 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.095 8.836 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.121 7.884 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.434 8.359 -3.115 1.00 0.00 H new ATOM 990 N ARG A 65 0.072 5.501 -5.749 1.00 0.00 N ATOM 991 CA ARG A 65 0.209 5.980 -7.133 1.00 0.00 C ATOM 992 C ARG A 65 -0.209 4.881 -8.068 1.00 0.00 C ATOM 993 O ARG A 65 -0.843 5.119 -9.076 1.00 0.00 O ATOM 994 CB ARG A 65 1.711 6.347 -7.371 1.00 0.00 C ATOM 995 CG ARG A 65 1.933 7.859 -7.096 1.00 0.00 C ATOM 996 CD ARG A 65 1.731 8.661 -8.394 1.00 0.00 C ATOM 997 NE ARG A 65 0.409 8.289 -9.004 1.00 0.00 N ATOM 998 CZ ARG A 65 -0.643 9.042 -8.786 1.00 0.00 C ATOM 999 NH1 ARG A 65 -0.622 9.882 -7.788 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -1.676 8.927 -9.576 1.00 0.00 N ATOM 0 H ARG A 65 0.873 5.676 -5.142 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.417 6.855 -7.310 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.348 5.752 -6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.995 6.109 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.237 8.205 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.939 8.024 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.760 9.730 -8.183 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.540 8.452 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 65 0.330 7.454 -9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.203 9.945 -7.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.431 10.475 -7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.656 8.260 -10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -2.503 9.504 -9.422 1.00 0.00 H new ATOM 1014 N LYS A 66 0.149 3.688 -7.716 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.222 2.579 -8.563 1.00 0.00 C ATOM 1016 C LYS A 66 -1.714 2.485 -8.538 1.00 0.00 C ATOM 1017 O LYS A 66 -2.344 2.431 -9.560 1.00 0.00 O ATOM 1018 CB LYS A 66 0.387 1.283 -7.998 1.00 0.00 C ATOM 1019 CG LYS A 66 1.903 1.246 -8.305 1.00 0.00 C ATOM 1020 CD LYS A 66 2.139 0.681 -9.713 1.00 0.00 C ATOM 1021 CE LYS A 66 3.644 0.500 -9.932 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.923 0.091 -11.337 1.00 0.00 N ATOM 0 H LYS A 66 0.680 3.451 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 66 0.140 2.722 -9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.222 1.231 -6.922 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.105 0.416 -8.438 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.322 2.250 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.417 0.631 -7.566 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.625 -0.273 -9.827 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.728 1.356 -10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.164 1.431 -9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.029 -0.253 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.948 -0.027 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.442 -0.809 -11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.574 0.823 -11.988 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.265 2.529 -7.345 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.730 2.445 -7.229 1.00 0.00 C ATOM 1038 C CYS A 67 -4.366 3.495 -8.090 1.00 0.00 C ATOM 1039 O CYS A 67 -5.340 3.247 -8.757 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.128 2.641 -5.752 1.00 0.00 C ATOM 1041 SG CYS A 67 -5.205 1.371 -5.060 1.00 0.00 S ATOM 0 H CYS A 67 -1.757 2.619 -6.465 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.076 1.468 -7.566 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.219 2.687 -5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.624 3.606 -5.653 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.199 1.935 -4.441 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.836 4.665 -8.051 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.435 5.699 -8.887 1.00 0.00 C ATOM 1049 C TYR A 68 -4.168 5.316 -10.327 1.00 0.00 C ATOM 1050 O TYR A 68 -4.925 5.649 -11.216 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.768 7.065 -8.582 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.132 7.611 -7.154 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.425 7.515 -6.625 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.177 8.310 -6.415 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.734 8.100 -5.419 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.513 8.901 -5.208 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.787 8.797 -4.712 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.116 9.395 -3.533 1.00 0.00 O ATOM 0 H TYR A 68 -3.032 4.944 -7.489 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.505 5.784 -8.696 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.686 6.963 -8.663 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.076 7.791 -9.334 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.187 6.977 -7.169 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.166 8.391 -6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.735 8.009 -5.024 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.765 9.448 -4.653 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.299 9.675 -3.069 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.077 4.611 -10.532 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.742 4.188 -11.907 1.00 0.00 C ATOM 1070 C GLU A 69 -3.700 3.110 -12.325 1.00 0.00 C ATOM 1071 O GLU A 69 -4.025 2.955 -13.486 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.295 3.638 -11.927 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.709 3.788 -13.337 1.00 0.00 C ATOM 1074 CD GLU A 69 -1.467 2.872 -14.300 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -1.479 1.684 -14.021 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -1.989 3.411 -15.262 1.00 0.00 O ATOM 0 H GLU A 69 -2.420 4.320 -9.808 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.817 5.032 -12.593 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.680 4.177 -11.207 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.289 2.590 -11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.785 4.824 -13.667 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.351 3.532 -13.332 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.132 2.389 -11.356 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.090 1.290 -11.628 1.00 0.00 C ATOM 1085 C VAL A 70 -6.356 1.910 -12.105 1.00 0.00 C ATOM 1086 O VAL A 70 -7.214 1.268 -12.678 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.405 0.507 -10.309 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.507 -0.513 -10.570 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.173 -0.233 -9.803 1.00 0.00 C ATOM 0 H VAL A 70 -3.868 2.506 -10.378 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.667 0.605 -12.363 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.721 1.230 -9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.725 -1.057 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.406 0.002 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.179 -1.214 -11.337 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.421 -0.768 -8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.840 -0.944 -10.559 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.376 0.483 -9.601 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.438 3.165 -11.861 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.630 3.913 -12.270 1.00 0.00 C ATOM 1101 C GLY A 71 -8.804 3.390 -11.479 1.00 0.00 C ATOM 1102 O GLY A 71 -9.863 3.148 -12.022 1.00 0.00 O ATOM 0 H GLY A 71 -5.720 3.715 -11.389 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.492 4.979 -12.087 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.807 3.793 -13.339 1.00 0.00 H new ATOM 1106 N MET A 72 -8.600 3.219 -10.185 1.00 0.00 N ATOM 1107 CA MET A 72 -9.731 2.698 -9.349 1.00 0.00 C ATOM 1108 C MET A 72 -10.590 3.823 -8.871 1.00 0.00 C ATOM 1109 O MET A 72 -11.727 3.993 -9.257 1.00 0.00 O ATOM 1110 CB MET A 72 -9.171 1.953 -8.059 1.00 0.00 C ATOM 1111 CG MET A 72 -9.569 0.511 -8.175 1.00 0.00 C ATOM 1112 SD MET A 72 -9.528 -0.565 -6.731 1.00 0.00 S ATOM 1113 CE MET A 72 -7.987 0.009 -6.133 1.00 0.00 C ATOM 0 H MET A 72 -7.729 3.411 -9.690 1.00 0.00 H new ATOM 0 HA MET A 72 -10.307 2.012 -9.971 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.087 2.050 -7.998 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.582 2.394 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.587 0.488 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.927 0.059 -8.932 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.588 -0.704 -5.411 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.290 0.112 -6.964 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.122 0.977 -5.650 1.00 0.00 H new ATOM 1123 N MET A 73 -9.988 4.546 -8.025 1.00 0.00 N ATOM 1124 CA MET A 73 -10.627 5.710 -7.405 1.00 0.00 C ATOM 1125 C MET A 73 -11.701 5.239 -6.468 1.00 0.00 C ATOM 1126 O MET A 73 -12.600 4.520 -6.855 1.00 0.00 O ATOM 1127 CB MET A 73 -11.246 6.637 -8.476 1.00 0.00 C ATOM 1128 CG MET A 73 -10.281 6.798 -9.684 1.00 0.00 C ATOM 1129 SD MET A 73 -10.566 5.733 -11.119 1.00 0.00 S ATOM 1130 CE MET A 73 -11.843 6.747 -11.905 1.00 0.00 C ATOM 0 H MET A 73 -9.031 4.379 -7.715 1.00 0.00 H new ATOM 0 HA MET A 73 -9.872 6.275 -6.859 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.197 6.226 -8.815 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.459 7.613 -8.041 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.328 7.834 -10.018 1.00 0.00 H new ATOM 0 HG3 MET A 73 -9.265 6.623 -9.330 1.00 0.00 H new ATOM 0 HE1 MET A 73 -12.171 6.268 -12.828 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.692 6.852 -11.229 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.436 7.732 -12.132 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.577 5.646 -5.244 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.567 5.249 -4.218 1.00 0.00 C ATOM 1142 C LYS A 74 -13.991 5.183 -4.790 1.00 0.00 C ATOM 1143 O LYS A 74 -14.765 4.319 -4.446 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.540 6.300 -3.090 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.448 7.706 -3.702 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.577 8.750 -2.584 1.00 0.00 C ATOM 1147 CE LYS A 74 -12.102 10.110 -3.105 1.00 0.00 C ATOM 1148 NZ LYS A 74 -12.548 11.202 -2.194 1.00 0.00 N ATOM 0 H LYS A 74 -10.823 6.244 -4.906 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.304 4.257 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.438 6.216 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.689 6.122 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.498 7.828 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.237 7.847 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.613 8.817 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.983 8.451 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.015 10.116 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.496 10.280 -4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.218 12.117 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.587 11.205 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.151 11.046 -1.245 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.301 6.113 -5.636 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.660 6.131 -6.245 1.00 0.00 C ATOM 1164 C GLY A 75 -15.782 5.040 -7.311 1.00 0.00 C ATOM 1165 O GLY A 75 -15.206 5.246 -8.366 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.445 4.060 -7.009 1.00 0.00 O ATOM 0 H GLY A 75 -13.678 6.863 -5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.414 5.979 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.853 7.107 -6.691 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.235 -5.788 -4.135 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.276 2.166 -4.221 1.00 0.00 ZN