USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 821 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 12 LYS NZ :NH3+ 179:sc= 0.542 (180deg=0) USER MOD Set 1.2: A 20 SER OG : rot -17:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 142:sc= -0.176 (180deg=-0.663) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.00938 (180deg=-0.128) USER MOD Single : A 10 CYS SG : rot -19:sc= -0.339 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= -0.0106 (180deg=-0.099) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= 1.71 (180deg=1.46) USER MOD Single : A 22 CYS SG : rot 180:sc= -0.475 USER MOD Single : A 31 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -143:sc= 0.611 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0815 X(o=-0.081,f=-0.024) USER MOD Single : A 53 HIS :FLIP no HE2:sc= -0.292 F(o=-3!,f=-0.29) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.369 USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0563) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.09) USER MOD Single : A 68 SER OG : rot -170:sc= 0.281 USER MOD Single : A 73 LYS NZ :NH3+ 143:sc= 2.29 (180deg=2.07) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc=-0.00483 (180deg=-0.0971) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 1.12 (180deg=1.06) USER MOD Single : A 79 SER OG : rot 84:sc= 1.01 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.333 F(o=-1.3,f=-0.33) USER MOD Single : A 82 THR OG1 : rot 160:sc= -0.549 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.895) USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00964) USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00277) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.592 16.833 -6.936 1.00 0.00 N ATOM 2 CA MET A 1 -1.452 15.659 -7.226 1.00 0.00 C ATOM 3 C MET A 1 -0.829 14.394 -6.647 1.00 0.00 C ATOM 4 O MET A 1 0.396 14.259 -6.617 1.00 0.00 O ATOM 5 CB MET A 1 -1.647 15.498 -8.739 1.00 0.00 C ATOM 6 CG MET A 1 -2.400 16.654 -9.383 1.00 0.00 C ATOM 7 SD MET A 1 -2.613 16.445 -11.162 1.00 0.00 S ATOM 8 CE MET A 1 -3.578 14.937 -11.214 1.00 0.00 C ATOM 0 H1 MET A 1 -1.152 17.561 -6.448 1.00 0.00 H new ATOM 0 H2 MET A 1 0.201 16.541 -6.329 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.222 17.221 -7.827 1.00 0.00 H new ATOM 0 HA MET A 1 -2.425 15.821 -6.762 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.671 15.401 -9.214 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.188 14.571 -8.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.379 16.750 -8.913 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.862 17.583 -9.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.320 15.007 -12.009 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.919 14.090 -11.406 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.083 14.795 -10.258 1.00 0.00 H new ATOM 20 N PRO A 2 -1.665 13.450 -6.173 1.00 0.00 N ATOM 21 CA PRO A 2 -1.194 12.208 -5.549 1.00 0.00 C ATOM 22 C PRO A 2 -0.318 11.375 -6.481 1.00 0.00 C ATOM 23 O PRO A 2 -0.808 10.718 -7.405 1.00 0.00 O ATOM 24 CB PRO A 2 -2.484 11.452 -5.212 1.00 0.00 C ATOM 25 CG PRO A 2 -3.544 12.497 -5.184 1.00 0.00 C ATOM 26 CD PRO A 2 -3.133 13.524 -6.200 1.00 0.00 C ATOM 0 HA PRO A 2 -0.568 12.413 -4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.701 10.689 -5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -2.405 10.944 -4.251 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.518 12.073 -5.429 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.630 12.941 -4.192 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.530 13.294 -7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.492 14.519 -5.936 1.00 0.00 H new ATOM 34 N ALA A 3 0.981 11.424 -6.226 1.00 0.00 N ATOM 35 CA ALA A 3 1.971 10.665 -6.978 1.00 0.00 C ATOM 36 C ALA A 3 3.270 10.653 -6.191 1.00 0.00 C ATOM 37 O ALA A 3 3.909 11.693 -6.035 1.00 0.00 O ATOM 38 CB ALA A 3 2.186 11.274 -8.359 1.00 0.00 C ATOM 0 H ALA A 3 1.382 11.997 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 3 1.617 9.644 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.929 10.691 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.246 11.267 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.537 12.301 -8.253 1.00 0.00 H new ATOM 44 N ILE A 4 3.652 9.483 -5.691 1.00 0.00 N ATOM 45 CA ILE A 4 4.739 9.376 -4.720 1.00 0.00 C ATOM 46 C ILE A 4 4.395 10.250 -3.510 1.00 0.00 C ATOM 47 O ILE A 4 5.210 11.011 -2.987 1.00 0.00 O ATOM 48 CB ILE A 4 6.106 9.773 -5.336 1.00 0.00 C ATOM 49 CG1 ILE A 4 6.351 8.996 -6.635 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.248 9.515 -4.352 1.00 0.00 C ATOM 51 CD1 ILE A 4 6.382 7.489 -6.459 1.00 0.00 C ATOM 0 H ILE A 4 3.224 8.592 -5.942 1.00 0.00 H new ATOM 0 HA ILE A 4 4.839 8.337 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 4 6.077 10.840 -5.558 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.570 9.251 -7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.298 9.320 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.195 9.802 -4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.089 10.103 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.275 8.456 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.560 7.014 -7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.181 7.220 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.427 7.150 -6.058 1.00 0.00 H new ATOM 63 N GLU A 5 3.151 10.113 -3.084 1.00 0.00 N ATOM 64 CA GLU A 5 2.597 10.894 -1.996 1.00 0.00 C ATOM 65 C GLU A 5 1.345 10.180 -1.484 1.00 0.00 C ATOM 66 O GLU A 5 0.919 9.182 -2.074 1.00 0.00 O ATOM 67 CB GLU A 5 2.270 12.318 -2.480 1.00 0.00 C ATOM 68 CG GLU A 5 1.924 13.302 -1.367 1.00 0.00 C ATOM 69 CD GLU A 5 1.761 14.725 -1.867 1.00 0.00 C ATOM 70 OE1 GLU A 5 1.904 14.956 -3.085 1.00 0.00 O ATOM 71 OE2 GLU A 5 1.508 15.629 -1.038 1.00 0.00 O ATOM 0 H GLU A 5 2.492 9.449 -3.489 1.00 0.00 H new ATOM 0 HA GLU A 5 3.318 10.983 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.124 12.704 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.433 12.268 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.001 12.985 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.707 13.276 -0.609 1.00 0.00 H new ATOM 78 N VAL A 6 0.775 10.679 -0.397 1.00 0.00 N ATOM 79 CA VAL A 6 -0.405 10.074 0.211 1.00 0.00 C ATOM 80 C VAL A 6 -1.551 9.938 -0.786 1.00 0.00 C ATOM 81 O VAL A 6 -1.690 10.740 -1.712 1.00 0.00 O ATOM 82 CB VAL A 6 -0.894 10.893 1.421 1.00 0.00 C ATOM 83 CG1 VAL A 6 0.177 10.944 2.495 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.294 12.299 0.995 1.00 0.00 C ATOM 0 H VAL A 6 1.114 11.510 0.088 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.104 9.080 0.542 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.774 10.401 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.185 11.526 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.411 9.931 2.824 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.075 11.411 2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.636 12.859 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.435 12.804 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.098 12.242 0.261 1.00 0.00 H new ATOM 94 N GLY A 7 -2.349 8.899 -0.605 1.00 0.00 N ATOM 95 CA GLY A 7 -3.508 8.699 -1.447 1.00 0.00 C ATOM 96 C GLY A 7 -3.234 7.786 -2.621 1.00 0.00 C ATOM 97 O GLY A 7 -4.097 7.013 -3.025 1.00 0.00 O ATOM 0 H GLY A 7 -2.214 8.187 0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.317 8.280 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.852 9.665 -1.817 1.00 0.00 H new ATOM 101 N ARG A 8 -2.030 7.861 -3.167 1.00 0.00 N ATOM 102 CA ARG A 8 -1.687 7.068 -4.336 1.00 0.00 C ATOM 103 C ARG A 8 -1.271 5.657 -3.929 1.00 0.00 C ATOM 104 O ARG A 8 -0.365 5.477 -3.114 1.00 0.00 O ATOM 105 CB ARG A 8 -0.563 7.740 -5.121 1.00 0.00 C ATOM 106 CG ARG A 8 -0.410 7.203 -6.533 1.00 0.00 C ATOM 107 CD ARG A 8 -1.660 7.475 -7.356 1.00 0.00 C ATOM 108 NE ARG A 8 -1.597 6.879 -8.689 1.00 0.00 N ATOM 109 CZ ARG A 8 -1.883 7.532 -9.812 1.00 0.00 C ATOM 110 NH1 ARG A 8 -2.189 8.827 -9.779 1.00 0.00 N ATOM 111 NH2 ARG A 8 -1.849 6.897 -10.974 1.00 0.00 N ATOM 0 H ARG A 8 -1.279 8.459 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.570 6.998 -4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.752 8.812 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.376 7.605 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.453 7.667 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.218 6.131 -6.500 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.530 7.084 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.801 8.552 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.316 5.901 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.205 9.325 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.407 9.322 -10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.604 5.908 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.068 7.397 -11.835 1.00 0.00 H new ATOM 125 N ILE A 9 -1.938 4.661 -4.497 1.00 0.00 N ATOM 126 CA ILE A 9 -1.666 3.268 -4.172 1.00 0.00 C ATOM 127 C ILE A 9 -0.525 2.726 -5.033 1.00 0.00 C ATOM 128 O ILE A 9 -0.404 3.071 -6.211 1.00 0.00 O ATOM 129 CB ILE A 9 -2.927 2.398 -4.376 1.00 0.00 C ATOM 130 CG1 ILE A 9 -4.106 2.983 -3.592 1.00 0.00 C ATOM 131 CG2 ILE A 9 -2.665 0.960 -3.940 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.410 2.245 -3.811 1.00 0.00 C ATOM 0 H ILE A 9 -2.675 4.794 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.373 3.223 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.176 2.396 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.866 2.970 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.238 4.027 -3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.565 0.364 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.850 0.543 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.393 0.944 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.198 2.717 -3.224 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.675 2.280 -4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.297 1.207 -3.499 1.00 0.00 H new ATOM 144 N CYS A 10 0.308 1.883 -4.441 1.00 0.00 N ATOM 145 CA CYS A 10 1.423 1.272 -5.143 1.00 0.00 C ATOM 146 C CYS A 10 1.397 -0.241 -4.951 1.00 0.00 C ATOM 147 O CYS A 10 0.715 -0.750 -4.057 1.00 0.00 O ATOM 148 CB CYS A 10 2.745 1.864 -4.645 1.00 0.00 C ATOM 149 SG CYS A 10 2.925 1.851 -2.847 1.00 0.00 S ATOM 0 H CYS A 10 0.229 1.605 -3.463 1.00 0.00 H new ATOM 0 HA CYS A 10 1.334 1.483 -6.209 1.00 0.00 H new ATOM 0 HB2 CYS A 10 3.570 1.306 -5.087 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.828 2.891 -5.001 1.00 0.00 H new ATOM 0 HG CYS A 10 1.755 1.722 -2.295 1.00 0.00 H new ATOM 155 N VAL A 11 2.125 -0.956 -5.792 1.00 0.00 N ATOM 156 CA VAL A 11 2.119 -2.410 -5.757 1.00 0.00 C ATOM 157 C VAL A 11 3.493 -2.962 -6.127 1.00 0.00 C ATOM 158 O VAL A 11 4.258 -2.310 -6.846 1.00 0.00 O ATOM 159 CB VAL A 11 1.041 -2.975 -6.719 1.00 0.00 C ATOM 160 CG1 VAL A 11 1.323 -2.565 -8.157 1.00 0.00 C ATOM 161 CG2 VAL A 11 0.932 -4.488 -6.610 1.00 0.00 C ATOM 0 H VAL A 11 2.729 -0.553 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 11 1.879 -2.724 -4.741 1.00 0.00 H new ATOM 0 HB VAL A 11 0.084 -2.548 -6.419 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.552 -2.974 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.322 -1.478 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.297 -2.949 -8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.167 -4.848 -7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.891 -4.941 -6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.660 -4.761 -5.590 1.00 0.00 H new ATOM 171 N LYS A 12 3.821 -4.138 -5.602 1.00 0.00 N ATOM 172 CA LYS A 12 5.049 -4.824 -5.981 1.00 0.00 C ATOM 173 C LYS A 12 4.974 -5.238 -7.441 1.00 0.00 C ATOM 174 O LYS A 12 4.322 -6.223 -7.778 1.00 0.00 O ATOM 175 CB LYS A 12 5.294 -6.057 -5.112 1.00 0.00 C ATOM 176 CG LYS A 12 5.753 -5.736 -3.704 1.00 0.00 C ATOM 177 CD LYS A 12 5.998 -7.006 -2.914 1.00 0.00 C ATOM 178 CE LYS A 12 6.431 -6.696 -1.495 1.00 0.00 C ATOM 179 NZ LYS A 12 6.354 -7.896 -0.618 1.00 0.00 N ATOM 0 H LYS A 12 3.254 -4.634 -4.914 1.00 0.00 H new ATOM 0 HA LYS A 12 5.879 -4.134 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.375 -6.641 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.043 -6.685 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.667 -5.144 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.000 -5.129 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.089 -7.607 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.765 -7.602 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.453 -6.316 -1.502 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.800 -5.907 -1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.674 -7.647 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.371 -8.234 -0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.963 -8.647 -1.002 1.00 0.00 H new ATOM 193 N VAL A 13 5.615 -4.465 -8.303 1.00 0.00 N ATOM 194 CA VAL A 13 5.603 -4.736 -9.733 1.00 0.00 C ATOM 195 C VAL A 13 6.316 -6.050 -10.053 1.00 0.00 C ATOM 196 O VAL A 13 5.877 -6.811 -10.914 1.00 0.00 O ATOM 197 CB VAL A 13 6.243 -3.570 -10.519 1.00 0.00 C ATOM 198 CG1 VAL A 13 7.658 -3.288 -10.029 1.00 0.00 C ATOM 199 CG2 VAL A 13 6.230 -3.846 -12.016 1.00 0.00 C ATOM 0 H VAL A 13 6.153 -3.641 -8.036 1.00 0.00 H new ATOM 0 HA VAL A 13 4.562 -4.831 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 13 5.643 -2.679 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.083 -2.463 -10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.631 -3.022 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.274 -4.177 -10.163 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.686 -3.009 -12.544 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.793 -4.756 -12.223 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.201 -3.971 -12.354 1.00 0.00 H new ATOM 209 N LYS A 14 7.401 -6.318 -9.336 1.00 0.00 N ATOM 210 CA LYS A 14 8.176 -7.532 -9.535 1.00 0.00 C ATOM 211 C LYS A 14 8.670 -8.060 -8.195 1.00 0.00 C ATOM 212 O LYS A 14 9.016 -7.283 -7.303 1.00 0.00 O ATOM 213 CB LYS A 14 9.364 -7.275 -10.467 1.00 0.00 C ATOM 214 CG LYS A 14 8.970 -7.026 -11.916 1.00 0.00 C ATOM 215 CD LYS A 14 10.185 -6.734 -12.785 1.00 0.00 C ATOM 216 CE LYS A 14 9.814 -6.608 -14.255 1.00 0.00 C ATOM 217 NZ LYS A 14 8.817 -5.528 -14.499 1.00 0.00 N ATOM 0 H LYS A 14 7.764 -5.704 -8.607 1.00 0.00 H new ATOM 0 HA LYS A 14 7.531 -8.278 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.922 -6.414 -10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.037 -8.131 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.444 -7.898 -12.306 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.276 -6.187 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.658 -5.811 -12.450 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.919 -7.531 -12.663 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.713 -6.407 -14.838 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.411 -7.557 -14.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.685 -5.402 -15.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.909 -5.788 -14.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.159 -4.639 -14.082 1.00 0.00 H new ATOM 231 N GLY A 15 8.701 -9.375 -8.065 1.00 0.00 N ATOM 232 CA GLY A 15 9.120 -9.998 -6.825 1.00 0.00 C ATOM 233 C GLY A 15 8.341 -11.267 -6.567 1.00 0.00 C ATOM 234 O GLY A 15 8.915 -12.321 -6.301 1.00 0.00 O ATOM 0 H GLY A 15 8.441 -10.030 -8.803 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.185 -10.224 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.975 -9.303 -5.998 1.00 0.00 H new ATOM 238 N ARG A 16 7.024 -11.153 -6.648 1.00 0.00 N ATOM 239 CA ARG A 16 6.139 -12.302 -6.555 1.00 0.00 C ATOM 240 C ARG A 16 4.814 -11.954 -7.226 1.00 0.00 C ATOM 241 O ARG A 16 3.744 -12.018 -6.614 1.00 0.00 O ATOM 242 CB ARG A 16 5.926 -12.726 -5.094 1.00 0.00 C ATOM 243 CG ARG A 16 5.479 -14.174 -4.951 1.00 0.00 C ATOM 244 CD ARG A 16 5.477 -14.629 -3.501 1.00 0.00 C ATOM 245 NE ARG A 16 5.293 -16.080 -3.390 1.00 0.00 N ATOM 246 CZ ARG A 16 5.124 -16.731 -2.237 1.00 0.00 C ATOM 247 NH1 ARG A 16 5.097 -16.061 -1.091 1.00 0.00 N ATOM 248 NH2 ARG A 16 4.980 -18.053 -2.235 1.00 0.00 N ATOM 0 H ARG A 16 6.541 -10.264 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 16 6.594 -13.151 -7.066 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.854 -12.582 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.180 -12.075 -4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.478 -14.287 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.141 -14.817 -5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.417 -14.344 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.680 -14.118 -2.960 1.00 0.00 H new ATOM 0 HE ARG A 16 5.294 -16.628 -4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.205 -15.047 -1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.968 -16.561 -0.211 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.999 -18.569 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.851 -18.551 -1.354 1.00 0.00 H new ATOM 262 N GLU A 17 4.925 -11.547 -8.489 1.00 0.00 N ATOM 263 CA GLU A 17 3.786 -11.151 -9.321 1.00 0.00 C ATOM 264 C GLU A 17 3.117 -9.871 -8.810 1.00 0.00 C ATOM 265 O GLU A 17 3.418 -8.780 -9.294 1.00 0.00 O ATOM 266 CB GLU A 17 2.759 -12.285 -9.457 1.00 0.00 C ATOM 267 CG GLU A 17 3.170 -13.377 -10.436 1.00 0.00 C ATOM 268 CD GLU A 17 4.390 -14.148 -9.978 1.00 0.00 C ATOM 269 OE1 GLU A 17 4.229 -15.130 -9.227 1.00 0.00 O ATOM 270 OE2 GLU A 17 5.513 -13.775 -10.365 1.00 0.00 O ATOM 0 H GLU A 17 5.821 -11.481 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 17 4.186 -10.940 -10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.595 -12.733 -8.477 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.807 -11.863 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.339 -14.069 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.373 -12.929 -11.409 1.00 0.00 H new ATOM 277 N ALA A 18 2.224 -9.998 -7.830 1.00 0.00 N ATOM 278 CA ALA A 18 1.478 -8.848 -7.321 1.00 0.00 C ATOM 279 C ALA A 18 0.856 -9.160 -5.964 1.00 0.00 C ATOM 280 O ALA A 18 -0.233 -8.686 -5.640 1.00 0.00 O ATOM 281 CB ALA A 18 0.400 -8.447 -8.319 1.00 0.00 C ATOM 0 H ALA A 18 2.000 -10.882 -7.374 1.00 0.00 H new ATOM 0 HA ALA A 18 2.170 -8.016 -7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.152 -7.590 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.864 -8.182 -9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.285 -9.281 -8.470 1.00 0.00 H new ATOM 287 N GLY A 19 1.570 -9.931 -5.157 1.00 0.00 N ATOM 288 CA GLY A 19 1.026 -10.373 -3.886 1.00 0.00 C ATOM 289 C GLY A 19 1.235 -9.387 -2.747 1.00 0.00 C ATOM 290 O GLY A 19 1.279 -9.783 -1.583 1.00 0.00 O ATOM 0 H GLY A 19 2.515 -10.259 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.042 -10.555 -4.003 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.484 -11.325 -3.618 1.00 0.00 H new ATOM 294 N SER A 20 1.370 -8.105 -3.065 1.00 0.00 N ATOM 295 CA SER A 20 1.519 -7.075 -2.040 1.00 0.00 C ATOM 296 C SER A 20 1.089 -5.709 -2.573 1.00 0.00 C ATOM 297 O SER A 20 1.606 -5.239 -3.587 1.00 0.00 O ATOM 298 CB SER A 20 2.967 -6.994 -1.553 1.00 0.00 C ATOM 299 OG SER A 20 3.438 -8.245 -1.071 1.00 0.00 O ATOM 0 H SER A 20 1.380 -7.753 -4.022 1.00 0.00 H new ATOM 0 HA SER A 20 0.876 -7.351 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.606 -6.657 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.042 -6.249 -0.761 1.00 0.00 H new ATOM 0 HG SER A 20 2.676 -8.834 -0.891 1.00 0.00 H new ATOM 305 N LYS A 21 0.145 -5.084 -1.879 1.00 0.00 N ATOM 306 CA LYS A 21 -0.328 -3.748 -2.227 1.00 0.00 C ATOM 307 C LYS A 21 -0.130 -2.805 -1.042 1.00 0.00 C ATOM 308 O LYS A 21 -0.386 -3.184 0.104 1.00 0.00 O ATOM 309 CB LYS A 21 -1.807 -3.802 -2.630 1.00 0.00 C ATOM 310 CG LYS A 21 -2.042 -4.505 -3.961 1.00 0.00 C ATOM 311 CD LYS A 21 -3.489 -4.950 -4.129 1.00 0.00 C ATOM 312 CE LYS A 21 -3.827 -6.082 -3.174 1.00 0.00 C ATOM 313 NZ LYS A 21 -5.147 -6.702 -3.472 1.00 0.00 N ATOM 0 H LYS A 21 -0.313 -5.487 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 21 0.247 -3.373 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.370 -4.316 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.198 -2.786 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.773 -3.834 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.386 -5.373 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.155 -4.107 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.656 -5.274 -5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.050 -6.844 -3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.829 -5.703 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.196 -7.642 -3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.906 -6.101 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.262 -6.796 -4.501 1.00 0.00 H new ATOM 327 N CYS A 22 0.339 -1.593 -1.309 1.00 0.00 N ATOM 328 CA CYS A 22 0.670 -0.653 -0.242 1.00 0.00 C ATOM 329 C CYS A 22 0.336 0.781 -0.642 1.00 0.00 C ATOM 330 O CYS A 22 0.188 1.090 -1.824 1.00 0.00 O ATOM 331 CB CYS A 22 2.159 -0.753 0.095 1.00 0.00 C ATOM 332 SG CYS A 22 2.717 -2.427 0.501 1.00 0.00 S ATOM 0 H CYS A 22 0.499 -1.237 -2.251 1.00 0.00 H new ATOM 0 HA CYS A 22 0.073 -0.914 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.737 -0.385 -0.752 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.374 -0.096 0.938 1.00 0.00 H new ATOM 0 HG CYS A 22 3.989 -2.407 0.769 1.00 0.00 H new ATOM 338 N VAL A 23 0.215 1.653 0.346 1.00 0.00 N ATOM 339 CA VAL A 23 -0.007 3.068 0.100 1.00 0.00 C ATOM 340 C VAL A 23 1.001 3.905 0.893 1.00 0.00 C ATOM 341 O VAL A 23 1.430 3.507 1.978 1.00 0.00 O ATOM 342 CB VAL A 23 -1.450 3.481 0.473 1.00 0.00 C ATOM 343 CG1 VAL A 23 -1.690 3.359 1.971 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.756 4.891 -0.015 1.00 0.00 C ATOM 0 H VAL A 23 0.267 1.402 1.333 1.00 0.00 H new ATOM 0 HA VAL A 23 0.133 3.252 -0.965 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.132 2.794 -0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.713 3.656 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.534 2.326 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.995 4.007 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.777 5.158 0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.061 5.594 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.650 4.932 -1.099 1.00 0.00 H new ATOM 354 N ILE A 24 1.394 5.046 0.341 1.00 0.00 N ATOM 355 CA ILE A 24 2.346 5.929 1.007 1.00 0.00 C ATOM 356 C ILE A 24 1.619 6.826 2.005 1.00 0.00 C ATOM 357 O ILE A 24 0.611 7.449 1.671 1.00 0.00 O ATOM 358 CB ILE A 24 3.115 6.805 -0.012 1.00 0.00 C ATOM 359 CG1 ILE A 24 3.809 5.921 -1.051 1.00 0.00 C ATOM 360 CG2 ILE A 24 4.134 7.689 0.698 1.00 0.00 C ATOM 361 CD1 ILE A 24 4.523 6.694 -2.140 1.00 0.00 C ATOM 0 H ILE A 24 1.069 5.382 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 24 3.067 5.303 1.533 1.00 0.00 H new ATOM 0 HB ILE A 24 2.399 7.450 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.529 5.279 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.067 5.267 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.663 8.296 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.620 8.340 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.848 7.063 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.989 5.996 -2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.805 7.316 -2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.290 7.327 -1.694 1.00 0.00 H new ATOM 373 N VAL A 25 2.124 6.876 3.233 1.00 0.00 N ATOM 374 CA VAL A 25 1.506 7.690 4.273 1.00 0.00 C ATOM 375 C VAL A 25 2.412 8.849 4.698 1.00 0.00 C ATOM 376 O VAL A 25 1.932 9.943 5.000 1.00 0.00 O ATOM 377 CB VAL A 25 1.126 6.840 5.510 1.00 0.00 C ATOM 378 CG1 VAL A 25 2.345 6.132 6.091 1.00 0.00 C ATOM 379 CG2 VAL A 25 0.441 7.695 6.566 1.00 0.00 C ATOM 0 H VAL A 25 2.955 6.365 3.531 1.00 0.00 H new ATOM 0 HA VAL A 25 0.594 8.105 3.843 1.00 0.00 H new ATOM 0 HB VAL A 25 0.422 6.075 5.183 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.045 5.544 6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.777 5.473 5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.086 6.872 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.184 7.075 7.425 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.114 8.492 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.467 8.131 6.148 1.00 0.00 H new ATOM 389 N ASP A 26 3.717 8.611 4.710 1.00 0.00 N ATOM 390 CA ASP A 26 4.669 9.635 5.122 1.00 0.00 C ATOM 391 C ASP A 26 5.817 9.736 4.131 1.00 0.00 C ATOM 392 O ASP A 26 6.410 8.728 3.736 1.00 0.00 O ATOM 393 CB ASP A 26 5.209 9.353 6.529 1.00 0.00 C ATOM 394 CG ASP A 26 6.167 10.433 7.007 1.00 0.00 C ATOM 395 OD1 ASP A 26 5.770 11.615 7.030 1.00 0.00 O ATOM 396 OD2 ASP A 26 7.324 10.104 7.355 1.00 0.00 O ATOM 0 H ASP A 26 4.139 7.722 4.441 1.00 0.00 H new ATOM 0 HA ASP A 26 4.141 10.588 5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.375 9.275 7.227 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.719 8.390 6.534 1.00 0.00 H new ATOM 401 N ILE A 27 6.116 10.958 3.728 1.00 0.00 N ATOM 402 CA ILE A 27 7.189 11.217 2.789 1.00 0.00 C ATOM 403 C ILE A 27 8.368 11.837 3.530 1.00 0.00 C ATOM 404 O ILE A 27 8.216 12.859 4.202 1.00 0.00 O ATOM 405 CB ILE A 27 6.747 12.169 1.641 1.00 0.00 C ATOM 406 CG1 ILE A 27 5.617 11.557 0.804 1.00 0.00 C ATOM 407 CG2 ILE A 27 7.931 12.513 0.746 1.00 0.00 C ATOM 408 CD1 ILE A 27 4.244 11.665 1.437 1.00 0.00 C ATOM 0 H ILE A 27 5.623 11.794 4.042 1.00 0.00 H new ATOM 0 HA ILE A 27 7.473 10.265 2.340 1.00 0.00 H new ATOM 0 HB ILE A 27 6.370 13.082 2.101 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.595 12.047 -0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.841 10.505 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.603 13.180 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.703 13.006 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.336 11.599 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.504 11.208 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.245 11.149 2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.995 12.715 1.589 1.00 0.00 H new ATOM 420 N ILE A 28 9.527 11.205 3.437 1.00 0.00 N ATOM 421 CA ILE A 28 10.730 11.733 4.068 1.00 0.00 C ATOM 422 C ILE A 28 11.484 12.604 3.073 1.00 0.00 C ATOM 423 O ILE A 28 11.938 13.699 3.404 1.00 0.00 O ATOM 424 CB ILE A 28 11.668 10.613 4.595 1.00 0.00 C ATOM 425 CG1 ILE A 28 10.993 9.797 5.708 1.00 0.00 C ATOM 426 CG2 ILE A 28 12.975 11.203 5.107 1.00 0.00 C ATOM 427 CD1 ILE A 28 9.980 8.785 5.217 1.00 0.00 C ATOM 0 H ILE A 28 9.662 10.329 2.933 1.00 0.00 H new ATOM 0 HA ILE A 28 10.414 12.322 4.929 1.00 0.00 H new ATOM 0 HB ILE A 28 11.882 9.945 3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.763 9.275 6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.499 10.483 6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.618 10.402 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.478 11.731 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 28 12.766 11.899 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.553 8.255 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.186 9.299 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.470 8.072 4.554 1.00 0.00 H new ATOM 439 N ASP A 29 11.586 12.119 1.841 1.00 0.00 N ATOM 440 CA ASP A 29 12.256 12.855 0.779 1.00 0.00 C ATOM 441 C ASP A 29 11.810 12.314 -0.571 1.00 0.00 C ATOM 442 O ASP A 29 10.810 11.606 -0.655 1.00 0.00 O ATOM 443 CB ASP A 29 13.778 12.728 0.912 1.00 0.00 C ATOM 444 CG ASP A 29 14.504 13.980 0.468 1.00 0.00 C ATOM 445 OD1 ASP A 29 14.476 14.295 -0.735 1.00 0.00 O ATOM 446 OD2 ASP A 29 15.111 14.653 1.329 1.00 0.00 O ATOM 0 H ASP A 29 11.211 11.215 1.554 1.00 0.00 H new ATOM 0 HA ASP A 29 11.989 13.909 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.032 12.513 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.122 11.882 0.317 1.00 0.00 H new ATOM 451 N ASP A 30 12.559 12.634 -1.617 1.00 0.00 N ATOM 452 CA ASP A 30 12.225 12.187 -2.972 1.00 0.00 C ATOM 453 C ASP A 30 12.389 10.682 -3.117 1.00 0.00 C ATOM 454 O ASP A 30 11.673 10.042 -3.885 1.00 0.00 O ATOM 455 CB ASP A 30 13.089 12.902 -4.011 1.00 0.00 C ATOM 456 CG ASP A 30 12.470 14.199 -4.495 1.00 0.00 C ATOM 457 OD1 ASP A 30 12.595 15.224 -3.794 1.00 0.00 O ATOM 458 OD2 ASP A 30 11.851 14.201 -5.580 1.00 0.00 O ATOM 0 H ASP A 30 13.404 13.202 -1.558 1.00 0.00 H new ATOM 0 HA ASP A 30 11.179 12.439 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.069 13.110 -3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.248 12.240 -4.862 1.00 0.00 H new ATOM 463 N ASN A 31 13.344 10.126 -2.389 1.00 0.00 N ATOM 464 CA ASN A 31 13.572 8.687 -2.409 1.00 0.00 C ATOM 465 C ASN A 31 12.982 8.025 -1.173 1.00 0.00 C ATOM 466 O ASN A 31 12.308 7.002 -1.266 1.00 0.00 O ATOM 467 CB ASN A 31 15.068 8.367 -2.495 1.00 0.00 C ATOM 468 CG ASN A 31 15.602 8.403 -3.913 1.00 0.00 C ATOM 469 OD1 ASN A 31 16.014 9.450 -4.409 1.00 0.00 O ATOM 470 ND2 ASN A 31 15.613 7.252 -4.568 1.00 0.00 N ATOM 0 H ASN A 31 13.973 10.646 -1.778 1.00 0.00 H new ATOM 0 HA ASN A 31 13.075 8.292 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.622 9.081 -1.886 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.247 7.379 -2.070 1.00 0.00 H new ATOM 0 HD21 ASN A 31 15.973 7.211 -5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.262 6.406 -4.119 1.00 0.00 H new ATOM 477 N PHE A 32 13.233 8.616 -0.017 1.00 0.00 N ATOM 478 CA PHE A 32 12.830 8.014 1.245 1.00 0.00 C ATOM 479 C PHE A 32 11.342 8.216 1.499 1.00 0.00 C ATOM 480 O PHE A 32 10.893 9.327 1.788 1.00 0.00 O ATOM 481 CB PHE A 32 13.652 8.595 2.396 1.00 0.00 C ATOM 482 CG PHE A 32 15.133 8.399 2.225 1.00 0.00 C ATOM 483 CD1 PHE A 32 15.739 7.221 2.626 1.00 0.00 C ATOM 484 CD2 PHE A 32 15.917 9.394 1.664 1.00 0.00 C ATOM 485 CE1 PHE A 32 17.096 7.033 2.463 1.00 0.00 C ATOM 486 CE2 PHE A 32 17.278 9.213 1.499 1.00 0.00 C ATOM 487 CZ PHE A 32 17.869 8.032 1.902 1.00 0.00 C ATOM 0 H PHE A 32 13.713 9.511 0.075 1.00 0.00 H new ATOM 0 HA PHE A 32 13.018 6.942 1.185 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.441 9.661 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 32 13.336 8.130 3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.142 6.439 3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 32 15.460 10.322 1.352 1.00 0.00 H new ATOM 0 HE1 PHE A 32 17.554 6.106 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 32 17.878 9.994 1.056 1.00 0.00 H new ATOM 0 HZ PHE A 32 18.932 7.889 1.779 1.00 0.00 H new ATOM 497 N VAL A 33 10.582 7.139 1.376 1.00 0.00 N ATOM 498 CA VAL A 33 9.149 7.174 1.616 1.00 0.00 C ATOM 499 C VAL A 33 8.717 6.020 2.517 1.00 0.00 C ATOM 500 O VAL A 33 9.348 4.959 2.529 1.00 0.00 O ATOM 501 CB VAL A 33 8.341 7.117 0.298 1.00 0.00 C ATOM 502 CG1 VAL A 33 8.561 8.375 -0.529 1.00 0.00 C ATOM 503 CG2 VAL A 33 8.704 5.877 -0.510 1.00 0.00 C ATOM 0 H VAL A 33 10.939 6.222 1.109 1.00 0.00 H new ATOM 0 HA VAL A 33 8.939 8.122 2.111 1.00 0.00 H new ATOM 0 HB VAL A 33 7.284 7.059 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.982 8.311 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.239 9.246 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.619 8.471 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.122 5.860 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.767 5.898 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.483 4.984 0.075 1.00 0.00 H new ATOM 513 N LEU A 34 7.652 6.238 3.280 1.00 0.00 N ATOM 514 CA LEU A 34 7.103 5.206 4.145 1.00 0.00 C ATOM 515 C LEU A 34 5.812 4.654 3.552 1.00 0.00 C ATOM 516 O LEU A 34 4.822 5.380 3.410 1.00 0.00 O ATOM 517 CB LEU A 34 6.833 5.767 5.545 1.00 0.00 C ATOM 518 CG LEU A 34 6.209 4.779 6.537 1.00 0.00 C ATOM 519 CD1 LEU A 34 7.176 3.652 6.855 1.00 0.00 C ATOM 520 CD2 LEU A 34 5.785 5.492 7.810 1.00 0.00 C ATOM 0 H LEU A 34 7.151 7.126 3.315 1.00 0.00 H new ATOM 0 HA LEU A 34 7.832 4.400 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.773 6.129 5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.173 6.629 5.452 1.00 0.00 H new ATOM 0 HG LEU A 34 5.322 4.348 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.712 2.963 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.427 3.118 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.084 4.065 7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.345 4.773 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.655 5.955 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.050 6.260 7.569 1.00 0.00 H new ATOM 532 N VAL A 35 5.827 3.376 3.211 1.00 0.00 N ATOM 533 CA VAL A 35 4.652 2.721 2.660 1.00 0.00 C ATOM 534 C VAL A 35 4.038 1.790 3.693 1.00 0.00 C ATOM 535 O VAL A 35 4.752 1.179 4.490 1.00 0.00 O ATOM 536 CB VAL A 35 4.980 1.930 1.372 1.00 0.00 C ATOM 537 CG1 VAL A 35 5.445 2.876 0.276 1.00 0.00 C ATOM 538 CG2 VAL A 35 6.032 0.860 1.632 1.00 0.00 C ATOM 0 H VAL A 35 6.642 2.770 3.306 1.00 0.00 H new ATOM 0 HA VAL A 35 3.937 3.501 2.398 1.00 0.00 H new ATOM 0 HB VAL A 35 4.069 1.430 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.672 2.306 -0.625 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.657 3.597 0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.339 3.404 0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.240 0.322 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.947 1.330 1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.663 0.161 2.383 1.00 0.00 H new ATOM 548 N THR A 36 2.718 1.708 3.691 1.00 0.00 N ATOM 549 CA THR A 36 1.999 0.897 4.658 1.00 0.00 C ATOM 550 C THR A 36 0.681 0.408 4.064 1.00 0.00 C ATOM 551 O THR A 36 0.332 0.756 2.933 1.00 0.00 O ATOM 552 CB THR A 36 1.723 1.703 5.953 1.00 0.00 C ATOM 553 OG1 THR A 36 1.132 0.866 6.958 1.00 0.00 O ATOM 554 CG2 THR A 36 0.808 2.889 5.673 1.00 0.00 C ATOM 0 H THR A 36 2.120 2.197 3.025 1.00 0.00 H new ATOM 0 HA THR A 36 2.620 0.036 4.907 1.00 0.00 H new ATOM 0 HB THR A 36 2.680 2.076 6.319 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.967 1.393 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.630 3.438 6.598 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.280 3.549 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.141 2.530 5.276 1.00 0.00 H new ATOM 562 N GLY A 37 -0.034 -0.403 4.823 1.00 0.00 N ATOM 563 CA GLY A 37 -1.335 -0.869 4.406 1.00 0.00 C ATOM 564 C GLY A 37 -2.257 -1.045 5.591 1.00 0.00 C ATOM 565 O GLY A 37 -1.841 -0.812 6.727 1.00 0.00 O ATOM 0 H GLY A 37 0.269 -0.751 5.733 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.771 -0.158 3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.233 -1.817 3.877 1.00 0.00 H new ATOM 569 N PRO A 38 -3.514 -1.456 5.360 1.00 0.00 N ATOM 570 CA PRO A 38 -4.483 -1.672 6.436 1.00 0.00 C ATOM 571 C PRO A 38 -4.045 -2.794 7.370 1.00 0.00 C ATOM 572 O PRO A 38 -3.968 -3.961 6.964 1.00 0.00 O ATOM 573 CB PRO A 38 -5.773 -2.059 5.700 1.00 0.00 C ATOM 574 CG PRO A 38 -5.564 -1.641 4.284 1.00 0.00 C ATOM 575 CD PRO A 38 -4.090 -1.747 4.038 1.00 0.00 C ATOM 0 HA PRO A 38 -4.597 -0.790 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.958 -3.131 5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.638 -1.557 6.134 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.121 -2.282 3.601 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.915 -0.622 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.810 -2.739 3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.754 -1.034 3.285 1.00 0.00 H new ATOM 583 N LYS A 39 -3.757 -2.431 8.613 1.00 0.00 N ATOM 584 CA LYS A 39 -3.238 -3.369 9.598 1.00 0.00 C ATOM 585 C LYS A 39 -4.193 -4.535 9.836 1.00 0.00 C ATOM 586 O LYS A 39 -3.841 -5.692 9.615 1.00 0.00 O ATOM 587 CB LYS A 39 -2.969 -2.641 10.916 1.00 0.00 C ATOM 588 CG LYS A 39 -2.484 -3.550 12.032 1.00 0.00 C ATOM 589 CD LYS A 39 -2.267 -2.779 13.322 1.00 0.00 C ATOM 590 CE LYS A 39 -1.855 -3.701 14.453 1.00 0.00 C ATOM 591 NZ LYS A 39 -1.547 -2.954 15.698 1.00 0.00 N ATOM 0 H LYS A 39 -3.876 -1.481 8.965 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.308 -3.780 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.225 -1.863 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.883 -2.143 11.238 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.212 -4.343 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.552 -4.030 11.733 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.499 -2.021 13.170 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.183 -2.255 13.593 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.655 -4.415 14.648 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.980 -4.277 14.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.270 -3.623 16.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.766 -2.290 15.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.389 -2.425 16.002 1.00 0.00 H new ATOM 605 N ASP A 40 -5.402 -4.223 10.272 1.00 0.00 N ATOM 606 CA ASP A 40 -6.356 -5.252 10.669 1.00 0.00 C ATOM 607 C ASP A 40 -7.064 -5.863 9.468 1.00 0.00 C ATOM 608 O ASP A 40 -7.684 -6.918 9.573 1.00 0.00 O ATOM 609 CB ASP A 40 -7.396 -4.670 11.623 1.00 0.00 C ATOM 610 CG ASP A 40 -6.778 -4.052 12.858 1.00 0.00 C ATOM 611 OD1 ASP A 40 -6.576 -4.771 13.857 1.00 0.00 O ATOM 612 OD2 ASP A 40 -6.508 -2.836 12.835 1.00 0.00 O ATOM 0 H ASP A 40 -5.748 -3.268 10.361 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.791 -6.038 11.170 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -7.981 -3.915 11.098 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.088 -5.457 11.923 1.00 0.00 H new ATOM 617 N ILE A 41 -6.975 -5.203 8.323 1.00 0.00 N ATOM 618 CA ILE A 41 -7.683 -5.665 7.136 1.00 0.00 C ATOM 619 C ILE A 41 -6.839 -6.655 6.336 1.00 0.00 C ATOM 620 O ILE A 41 -7.233 -7.808 6.149 1.00 0.00 O ATOM 621 CB ILE A 41 -8.107 -4.487 6.229 1.00 0.00 C ATOM 622 CG1 ILE A 41 -9.081 -3.572 6.978 1.00 0.00 C ATOM 623 CG2 ILE A 41 -8.738 -4.997 4.937 1.00 0.00 C ATOM 624 CD1 ILE A 41 -9.542 -2.383 6.163 1.00 0.00 C ATOM 0 H ILE A 41 -6.426 -4.354 8.190 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.583 -6.172 7.484 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.217 -3.914 5.967 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.952 -4.153 7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.602 -3.214 7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.028 -4.150 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -8.018 -5.613 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.620 -5.593 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.229 -1.780 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.680 -1.779 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.050 -2.733 5.264 1.00 0.00 H new ATOM 636 N THR A 42 -5.680 -6.213 5.873 1.00 0.00 N ATOM 637 CA THR A 42 -4.844 -7.042 5.017 1.00 0.00 C ATOM 638 C THR A 42 -3.620 -7.560 5.765 1.00 0.00 C ATOM 639 O THR A 42 -3.122 -8.652 5.487 1.00 0.00 O ATOM 640 CB THR A 42 -4.382 -6.252 3.779 1.00 0.00 C ATOM 641 OG1 THR A 42 -5.476 -5.491 3.255 1.00 0.00 O ATOM 642 CG2 THR A 42 -3.855 -7.185 2.697 1.00 0.00 C ATOM 0 H THR A 42 -5.298 -5.289 6.074 1.00 0.00 H new ATOM 0 HA THR A 42 -5.449 -7.893 4.703 1.00 0.00 H new ATOM 0 HB THR A 42 -3.576 -5.585 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.427 -5.480 2.276 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.536 -6.599 1.835 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.008 -7.750 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.644 -7.874 2.395 1.00 0.00 H new ATOM 650 N GLY A 43 -3.147 -6.778 6.726 1.00 0.00 N ATOM 651 CA GLY A 43 -1.937 -7.131 7.431 1.00 0.00 C ATOM 652 C GLY A 43 -0.706 -6.766 6.631 1.00 0.00 C ATOM 653 O GLY A 43 0.172 -7.602 6.405 1.00 0.00 O ATOM 0 H GLY A 43 -3.582 -5.906 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.912 -6.620 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.934 -8.201 7.639 1.00 0.00 H new ATOM 657 N VAL A 44 -0.656 -5.518 6.182 1.00 0.00 N ATOM 658 CA VAL A 44 0.460 -5.037 5.383 1.00 0.00 C ATOM 659 C VAL A 44 1.509 -4.383 6.273 1.00 0.00 C ATOM 660 O VAL A 44 1.250 -3.366 6.914 1.00 0.00 O ATOM 661 CB VAL A 44 0.004 -4.027 4.307 1.00 0.00 C ATOM 662 CG1 VAL A 44 1.182 -3.576 3.459 1.00 0.00 C ATOM 663 CG2 VAL A 44 -1.082 -4.627 3.430 1.00 0.00 C ATOM 0 H VAL A 44 -1.378 -4.820 6.359 1.00 0.00 H new ATOM 0 HA VAL A 44 0.890 -5.903 4.880 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.408 -3.155 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.838 -2.865 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.927 -3.099 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.626 -4.440 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.388 -3.898 2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.698 -5.519 2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.940 -4.895 4.046 1.00 0.00 H new ATOM 673 N LYS A 45 2.681 -4.991 6.312 1.00 0.00 N ATOM 674 CA LYS A 45 3.794 -4.478 7.092 1.00 0.00 C ATOM 675 C LYS A 45 4.315 -3.183 6.486 1.00 0.00 C ATOM 676 O LYS A 45 4.609 -3.122 5.289 1.00 0.00 O ATOM 677 CB LYS A 45 4.909 -5.522 7.144 1.00 0.00 C ATOM 678 CG LYS A 45 6.143 -5.074 7.909 1.00 0.00 C ATOM 679 CD LYS A 45 7.236 -6.125 7.841 1.00 0.00 C ATOM 680 CE LYS A 45 8.500 -5.671 8.549 1.00 0.00 C ATOM 681 NZ LYS A 45 9.576 -6.695 8.474 1.00 0.00 N ATOM 0 H LYS A 45 2.888 -5.852 5.806 1.00 0.00 H new ATOM 0 HA LYS A 45 3.450 -4.270 8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.520 -6.431 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.200 -5.779 6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.510 -4.135 7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.881 -4.883 8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.879 -7.050 8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.463 -6.346 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.852 -4.741 8.103 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.274 -5.458 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.422 -6.347 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.250 -7.575 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.810 -6.880 7.478 1.00 0.00 H new ATOM 695 N ARG A 46 4.419 -2.150 7.308 1.00 0.00 N ATOM 696 CA ARG A 46 4.932 -0.868 6.850 1.00 0.00 C ATOM 697 C ARG A 46 6.453 -0.912 6.767 1.00 0.00 C ATOM 698 O ARG A 46 7.106 -1.540 7.602 1.00 0.00 O ATOM 699 CB ARG A 46 4.495 0.266 7.786 1.00 0.00 C ATOM 700 CG ARG A 46 5.037 0.143 9.202 1.00 0.00 C ATOM 701 CD ARG A 46 4.681 1.356 10.041 1.00 0.00 C ATOM 702 NE ARG A 46 5.227 1.266 11.395 1.00 0.00 N ATOM 703 CZ ARG A 46 5.916 2.237 11.990 1.00 0.00 C ATOM 704 NH1 ARG A 46 6.181 3.366 11.340 1.00 0.00 N ATOM 705 NH2 ARG A 46 6.346 2.075 13.235 1.00 0.00 N ATOM 0 H ARG A 46 4.156 -2.174 8.293 1.00 0.00 H new ATOM 0 HA ARG A 46 4.522 -0.674 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.821 1.217 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.406 0.291 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.634 -0.755 9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.120 0.027 9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.060 2.256 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.597 1.455 10.093 1.00 0.00 H new ATOM 0 HE ARG A 46 5.070 0.404 11.917 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.856 3.491 10.381 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.709 4.107 11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.148 1.208 13.734 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.874 2.818 13.693 1.00 0.00 H new ATOM 719 N ARG A 47 7.013 -0.259 5.762 1.00 0.00 N ATOM 720 CA ARG A 47 8.459 -0.214 5.613 1.00 0.00 C ATOM 721 C ARG A 47 8.899 1.099 4.975 1.00 0.00 C ATOM 722 O ARG A 47 8.201 1.663 4.128 1.00 0.00 O ATOM 723 CB ARG A 47 8.966 -1.406 4.793 1.00 0.00 C ATOM 724 CG ARG A 47 8.455 -1.445 3.361 1.00 0.00 C ATOM 725 CD ARG A 47 9.044 -2.618 2.593 1.00 0.00 C ATOM 726 NE ARG A 47 8.695 -2.572 1.176 1.00 0.00 N ATOM 727 CZ ARG A 47 9.430 -3.123 0.208 1.00 0.00 C ATOM 728 NH1 ARG A 47 10.530 -3.807 0.510 1.00 0.00 N ATOM 729 NH2 ARG A 47 9.056 -2.993 -1.058 1.00 0.00 N ATOM 0 H ARG A 47 6.494 0.244 5.042 1.00 0.00 H new ATOM 0 HA ARG A 47 8.898 -0.276 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.056 -1.383 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.674 -2.328 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.368 -1.519 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.710 -0.513 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.129 -2.614 2.700 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.685 -3.552 3.025 1.00 0.00 H new ATOM 0 HE ARG A 47 7.837 -2.089 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.814 -3.912 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.089 -4.227 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.209 -2.473 -1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.615 -3.413 -1.801 1.00 0.00 H new ATOM 743 N ARG A 48 10.048 1.589 5.410 1.00 0.00 N ATOM 744 CA ARG A 48 10.605 2.824 4.889 1.00 0.00 C ATOM 745 C ARG A 48 11.718 2.510 3.901 1.00 0.00 C ATOM 746 O ARG A 48 12.741 1.931 4.268 1.00 0.00 O ATOM 747 CB ARG A 48 11.131 3.679 6.044 1.00 0.00 C ATOM 748 CG ARG A 48 11.786 4.980 5.614 1.00 0.00 C ATOM 749 CD ARG A 48 12.176 5.818 6.821 1.00 0.00 C ATOM 750 NE ARG A 48 13.080 5.106 7.728 1.00 0.00 N ATOM 751 CZ ARG A 48 13.014 5.190 9.058 1.00 0.00 C ATOM 752 NH1 ARG A 48 12.051 5.892 9.636 1.00 0.00 N ATOM 753 NH2 ARG A 48 13.896 4.551 9.816 1.00 0.00 N ATOM 0 H ARG A 48 10.617 1.144 6.130 1.00 0.00 H new ATOM 0 HA ARG A 48 9.828 3.384 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.304 3.908 6.717 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.853 3.094 6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.671 4.765 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 48 11.101 5.544 4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.655 6.737 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 48 11.277 6.109 7.364 1.00 0.00 H new ATOM 0 HE ARG A 48 13.801 4.512 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.356 6.371 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.005 5.953 10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.630 3.991 9.383 1.00 0.00 H new ATOM 0 HH22 ARG A 48 13.840 4.620 10.832 1.00 0.00 H new ATOM 767 N VAL A 49 11.507 2.873 2.646 1.00 0.00 N ATOM 768 CA VAL A 49 12.466 2.563 1.597 1.00 0.00 C ATOM 769 C VAL A 49 12.887 3.815 0.840 1.00 0.00 C ATOM 770 O VAL A 49 12.294 4.879 1.001 1.00 0.00 O ATOM 771 CB VAL A 49 11.902 1.538 0.591 1.00 0.00 C ATOM 772 CG1 VAL A 49 11.703 0.184 1.255 1.00 0.00 C ATOM 773 CG2 VAL A 49 10.593 2.029 -0.010 1.00 0.00 C ATOM 0 H VAL A 49 10.682 3.382 2.329 1.00 0.00 H new ATOM 0 HA VAL A 49 13.335 2.132 2.094 1.00 0.00 H new ATOM 0 HB VAL A 49 12.628 1.426 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.305 -0.523 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.659 -0.181 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.002 0.285 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.216 1.289 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.861 2.179 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.762 2.972 -0.530 1.00 0.00 H new ATOM 783 N ASN A 50 13.916 3.672 0.016 1.00 0.00 N ATOM 784 CA ASN A 50 14.389 4.760 -0.830 1.00 0.00 C ATOM 785 C ASN A 50 13.920 4.546 -2.262 1.00 0.00 C ATOM 786 O ASN A 50 14.543 5.015 -3.213 1.00 0.00 O ATOM 787 CB ASN A 50 15.919 4.858 -0.781 1.00 0.00 C ATOM 788 CG ASN A 50 16.607 3.580 -1.228 1.00 0.00 C ATOM 789 OD1 ASN A 50 16.862 3.374 -2.414 1.00 0.00 O ATOM 790 ND2 ASN A 50 16.926 2.717 -0.275 1.00 0.00 N ATOM 0 H ASN A 50 14.444 2.805 -0.085 1.00 0.00 H new ATOM 0 HA ASN A 50 13.974 5.696 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.246 5.682 -1.415 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.231 5.096 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 50 17.400 1.846 -0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 50 16.698 2.924 0.697 1.00 0.00 H new ATOM 797 N ILE A 51 12.781 3.874 -2.387 1.00 0.00 N ATOM 798 CA ILE A 51 12.248 3.456 -3.678 1.00 0.00 C ATOM 799 C ILE A 51 13.271 2.610 -4.433 1.00 0.00 C ATOM 800 O ILE A 51 14.029 3.105 -5.271 1.00 0.00 O ATOM 801 CB ILE A 51 11.812 4.654 -4.547 1.00 0.00 C ATOM 802 CG1 ILE A 51 10.813 5.532 -3.784 1.00 0.00 C ATOM 803 CG2 ILE A 51 11.198 4.166 -5.854 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.417 6.795 -4.526 1.00 0.00 C ATOM 0 H ILE A 51 12.200 3.603 -1.594 1.00 0.00 H new ATOM 0 HA ILE A 51 11.361 2.856 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 51 12.693 5.252 -4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.916 4.948 -3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.246 5.807 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.895 5.023 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.933 3.577 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.326 3.548 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.709 7.364 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.304 7.401 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.954 6.529 -5.476 1.00 0.00 H new ATOM 816 N LEU A 52 13.311 1.336 -4.084 1.00 0.00 N ATOM 817 CA LEU A 52 14.219 0.393 -4.721 1.00 0.00 C ATOM 818 C LEU A 52 13.602 -0.133 -6.013 1.00 0.00 C ATOM 819 O LEU A 52 14.198 -0.041 -7.081 1.00 0.00 O ATOM 820 CB LEU A 52 14.530 -0.768 -3.770 1.00 0.00 C ATOM 821 CG LEU A 52 15.485 -1.829 -4.321 1.00 0.00 C ATOM 822 CD1 LEU A 52 16.860 -1.232 -4.575 1.00 0.00 C ATOM 823 CD2 LEU A 52 15.584 -2.997 -3.356 1.00 0.00 C ATOM 0 H LEU A 52 12.722 0.927 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 52 15.151 0.906 -4.959 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.956 -0.360 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.593 -1.253 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 52 15.089 -2.192 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 52 17.524 -2.002 -4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.777 -0.422 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 52 17.266 -0.843 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.266 -3.745 -3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.959 -2.644 -2.395 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.598 -3.441 -3.220 1.00 0.00 H new ATOM 835 N HIS A 53 12.399 -0.683 -5.898 1.00 0.00 N ATOM 836 CA HIS A 53 11.664 -1.171 -7.054 1.00 0.00 C ATOM 837 C HIS A 53 10.179 -1.235 -6.717 1.00 0.00 C ATOM 838 O HIS A 53 9.626 -2.306 -6.466 1.00 0.00 O ATOM 839 CB HIS A 53 12.182 -2.545 -7.498 1.00 0.00 C ATOM 840 CG HIS A 53 11.814 -2.893 -8.909 1.00 0.00 C ATOM 841 ND1 HIS A 53 11.518 -2.099 -9.966 1.00 0.00 N flip ATOM 842 CD2 HIS A 53 11.752 -4.187 -9.376 1.00 0.00 C flip ATOM 843 CE1 HIS A 53 11.287 -2.920 -11.039 1.00 0.00 C flip ATOM 844 NE2 HIS A 53 11.438 -4.174 -10.659 1.00 0.00 N flip ATOM 0 H HIS A 53 11.911 -0.802 -5.010 1.00 0.00 H new ATOM 0 HA HIS A 53 11.814 -0.482 -7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.267 -2.566 -7.398 1.00 0.00 H new ATOM 0 HB3 HIS A 53 11.786 -3.308 -6.828 1.00 0.00 H new ATOM 0 HD1 HIS A 53 11.475 -1.080 -9.964 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.932 -5.073 -8.786 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.024 -2.593 -12.034 1.00 0.00 H new ATOM 853 N LEU A 54 9.561 -0.069 -6.672 1.00 0.00 N ATOM 854 CA LEU A 54 8.150 0.046 -6.342 1.00 0.00 C ATOM 855 C LEU A 54 7.491 1.039 -7.289 1.00 0.00 C ATOM 856 O LEU A 54 7.968 2.163 -7.445 1.00 0.00 O ATOM 857 CB LEU A 54 7.992 0.508 -4.889 1.00 0.00 C ATOM 858 CG LEU A 54 6.550 0.599 -4.376 1.00 0.00 C ATOM 859 CD1 LEU A 54 5.896 -0.773 -4.370 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.523 1.212 -2.983 1.00 0.00 C ATOM 0 H LEU A 54 10.019 0.822 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 54 7.667 -0.925 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.545 -0.177 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.458 1.488 -4.785 1.00 0.00 H new ATOM 0 HG LEU A 54 5.983 1.243 -5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.873 -0.687 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.885 -1.175 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.460 -1.442 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.493 1.271 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.105 0.592 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.952 2.213 -3.018 1.00 0.00 H new ATOM 872 N GLU A 55 6.416 0.619 -7.935 1.00 0.00 N ATOM 873 CA GLU A 55 5.754 1.453 -8.919 1.00 0.00 C ATOM 874 C GLU A 55 4.274 1.622 -8.570 1.00 0.00 C ATOM 875 O GLU A 55 3.584 0.645 -8.268 1.00 0.00 O ATOM 876 CB GLU A 55 5.930 0.841 -10.312 1.00 0.00 C ATOM 877 CG GLU A 55 7.393 0.631 -10.688 1.00 0.00 C ATOM 878 CD GLU A 55 7.590 0.209 -12.127 1.00 0.00 C ATOM 879 OE1 GLU A 55 7.574 1.089 -13.011 1.00 0.00 O ATOM 880 OE2 GLU A 55 7.804 -0.993 -12.384 1.00 0.00 O ATOM 0 H GLU A 55 5.985 -0.295 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 55 6.208 2.444 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.409 -0.116 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.460 1.490 -11.051 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.942 1.556 -10.510 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.823 -0.127 -10.033 1.00 0.00 H new ATOM 887 N PRO A 56 3.780 2.870 -8.566 1.00 0.00 N ATOM 888 CA PRO A 56 2.384 3.171 -8.238 1.00 0.00 C ATOM 889 C PRO A 56 1.414 2.709 -9.320 1.00 0.00 C ATOM 890 O PRO A 56 1.769 2.627 -10.499 1.00 0.00 O ATOM 891 CB PRO A 56 2.352 4.702 -8.120 1.00 0.00 C ATOM 892 CG PRO A 56 3.779 5.141 -8.112 1.00 0.00 C ATOM 893 CD PRO A 56 4.541 4.091 -8.862 1.00 0.00 C ATOM 0 HA PRO A 56 2.071 2.654 -7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.811 5.147 -8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.842 5.013 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.889 6.116 -8.586 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.151 5.239 -7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.573 4.300 -9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.574 4.018 -8.521 1.00 0.00 H new ATOM 901 N THR A 57 0.187 2.419 -8.911 1.00 0.00 N ATOM 902 CA THR A 57 -0.842 1.987 -9.839 1.00 0.00 C ATOM 903 C THR A 57 -1.750 3.163 -10.193 1.00 0.00 C ATOM 904 O THR A 57 -1.431 4.317 -9.893 1.00 0.00 O ATOM 905 CB THR A 57 -1.669 0.814 -9.248 1.00 0.00 C ATOM 906 OG1 THR A 57 -2.611 0.316 -10.208 1.00 0.00 O ATOM 907 CG2 THR A 57 -2.406 1.235 -7.985 1.00 0.00 C ATOM 0 H THR A 57 -0.118 2.476 -7.939 1.00 0.00 H new ATOM 0 HA THR A 57 -0.360 1.627 -10.748 1.00 0.00 H new ATOM 0 HB THR A 57 -0.965 0.021 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 57 -3.119 -0.423 -9.814 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.975 0.390 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.686 1.562 -7.235 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.086 2.055 -8.217 1.00 0.00 H new ATOM 915 N ASP A 58 -2.874 2.869 -10.822 1.00 0.00 N ATOM 916 CA ASP A 58 -3.792 3.901 -11.296 1.00 0.00 C ATOM 917 C ASP A 58 -4.735 4.338 -10.184 1.00 0.00 C ATOM 918 O ASP A 58 -5.238 5.460 -10.189 1.00 0.00 O ATOM 919 CB ASP A 58 -4.630 3.385 -12.470 1.00 0.00 C ATOM 920 CG ASP A 58 -3.818 2.600 -13.477 1.00 0.00 C ATOM 921 OD1 ASP A 58 -3.182 3.220 -14.360 1.00 0.00 O ATOM 922 OD2 ASP A 58 -3.827 1.353 -13.400 1.00 0.00 O ATOM 0 H ASP A 58 -3.179 1.916 -11.020 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.189 4.749 -11.620 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.432 2.754 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.102 4.230 -12.972 1.00 0.00 H new ATOM 927 N LYS A 59 -4.966 3.442 -9.237 1.00 0.00 N ATOM 928 CA LYS A 59 -5.962 3.661 -8.198 1.00 0.00 C ATOM 929 C LYS A 59 -5.465 4.620 -7.119 1.00 0.00 C ATOM 930 O LYS A 59 -4.269 4.688 -6.818 1.00 0.00 O ATOM 931 CB LYS A 59 -6.379 2.324 -7.584 1.00 0.00 C ATOM 932 CG LYS A 59 -7.093 1.407 -8.567 1.00 0.00 C ATOM 933 CD LYS A 59 -7.462 0.077 -7.929 1.00 0.00 C ATOM 934 CE LYS A 59 -8.226 -0.818 -8.892 1.00 0.00 C ATOM 935 NZ LYS A 59 -9.592 -0.299 -9.174 1.00 0.00 N ATOM 0 H LYS A 59 -4.474 2.551 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.830 4.128 -8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.494 1.816 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.033 2.511 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.995 1.898 -8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.453 1.231 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.556 -0.432 -7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.068 0.256 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.671 -0.902 -9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.299 -1.822 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.125 -1.004 -9.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.085 -0.114 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.522 0.584 -9.719 1.00 0.00 H new ATOM 949 N LYS A 60 -6.409 5.348 -6.544 1.00 0.00 N ATOM 950 CA LYS A 60 -6.120 6.345 -5.527 1.00 0.00 C ATOM 951 C LYS A 60 -7.198 6.317 -4.445 1.00 0.00 C ATOM 952 O LYS A 60 -8.380 6.161 -4.752 1.00 0.00 O ATOM 953 CB LYS A 60 -6.074 7.735 -6.167 1.00 0.00 C ATOM 954 CG LYS A 60 -5.834 8.867 -5.179 1.00 0.00 C ATOM 955 CD LYS A 60 -6.576 10.128 -5.592 1.00 0.00 C ATOM 956 CE LYS A 60 -8.084 9.911 -5.579 1.00 0.00 C ATOM 957 NZ LYS A 60 -8.837 11.105 -6.046 1.00 0.00 N ATOM 0 H LYS A 60 -7.400 5.263 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.154 6.120 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.285 7.751 -6.919 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.015 7.915 -6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.160 8.560 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.766 9.076 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.318 10.943 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.258 10.429 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.330 9.060 -6.213 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.402 9.658 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.857 10.905 -6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.625 11.913 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.556 11.333 -7.021 1.00 0.00 H new ATOM 971 N ILE A 61 -6.797 6.463 -3.190 1.00 0.00 N ATOM 972 CA ILE A 61 -7.748 6.553 -2.089 1.00 0.00 C ATOM 973 C ILE A 61 -7.937 8.009 -1.669 1.00 0.00 C ATOM 974 O ILE A 61 -7.100 8.865 -1.973 1.00 0.00 O ATOM 975 CB ILE A 61 -7.311 5.712 -0.869 1.00 0.00 C ATOM 976 CG1 ILE A 61 -5.910 6.118 -0.399 1.00 0.00 C ATOM 977 CG2 ILE A 61 -7.361 4.228 -1.209 1.00 0.00 C ATOM 978 CD1 ILE A 61 -5.432 5.347 0.813 1.00 0.00 C ATOM 0 H ILE A 61 -5.819 6.522 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.694 6.148 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.005 5.903 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.204 5.969 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.908 7.183 -0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.051 3.645 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.378 3.952 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.689 4.023 -2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.434 5.686 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.116 5.516 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.401 4.283 0.578 1.00 0.00 H new ATOM 990 N ASP A 62 -9.033 8.292 -0.978 1.00 0.00 N ATOM 991 CA ASP A 62 -9.365 9.663 -0.612 1.00 0.00 C ATOM 992 C ASP A 62 -8.923 9.960 0.818 1.00 0.00 C ATOM 993 O ASP A 62 -9.668 9.723 1.771 1.00 0.00 O ATOM 994 CB ASP A 62 -10.872 9.895 -0.757 1.00 0.00 C ATOM 995 CG ASP A 62 -11.242 11.365 -0.832 1.00 0.00 C ATOM 996 OD1 ASP A 62 -11.309 12.036 0.220 1.00 0.00 O ATOM 997 OD2 ASP A 62 -11.495 11.852 -1.954 1.00 0.00 O ATOM 0 H ASP A 62 -9.705 7.594 -0.660 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.835 10.338 -1.284 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.227 9.391 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.387 9.439 0.089 1.00 0.00 H new ATOM 1002 N ILE A 63 -7.691 10.438 0.960 1.00 0.00 N ATOM 1003 CA ILE A 63 -7.143 10.800 2.263 1.00 0.00 C ATOM 1004 C ILE A 63 -6.292 12.060 2.144 1.00 0.00 C ATOM 1005 O ILE A 63 -6.041 12.543 1.039 1.00 0.00 O ATOM 1006 CB ILE A 63 -6.271 9.678 2.878 1.00 0.00 C ATOM 1007 CG1 ILE A 63 -5.110 9.322 1.943 1.00 0.00 C ATOM 1008 CG2 ILE A 63 -7.108 8.443 3.193 1.00 0.00 C ATOM 1009 CD1 ILE A 63 -4.100 8.377 2.562 1.00 0.00 C ATOM 0 H ILE A 63 -7.048 10.585 0.182 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.997 10.968 2.920 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.856 10.050 3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.511 8.869 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.602 10.238 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.470 7.671 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.891 8.706 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.563 8.068 2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.307 8.170 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.671 8.836 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.594 7.445 2.836 1.00 0.00 H new ATOM 1021 N GLN A 64 -5.847 12.583 3.279 1.00 0.00 N ATOM 1022 CA GLN A 64 -4.986 13.752 3.293 1.00 0.00 C ATOM 1023 C GLN A 64 -3.565 13.358 3.695 1.00 0.00 C ATOM 1024 O GLN A 64 -3.305 12.202 4.035 1.00 0.00 O ATOM 1025 CB GLN A 64 -5.532 14.806 4.258 1.00 0.00 C ATOM 1026 CG GLN A 64 -6.952 15.254 3.942 1.00 0.00 C ATOM 1027 CD GLN A 64 -7.354 16.491 4.722 1.00 0.00 C ATOM 1028 OE1 GLN A 64 -6.523 17.349 5.024 1.00 0.00 O ATOM 1029 NE2 GLN A 64 -8.630 16.600 5.051 1.00 0.00 N ATOM 0 H GLN A 64 -6.070 12.213 4.203 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.963 14.176 2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.505 14.406 5.271 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.875 15.675 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.037 15.457 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.645 14.444 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.290 15.869 4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.955 17.415 5.572 1.00 0.00 H new ATOM 1038 N LYS A 65 -2.650 14.317 3.656 1.00 0.00 N ATOM 1039 CA LYS A 65 -1.257 14.048 3.979 1.00 0.00 C ATOM 1040 C LYS A 65 -1.035 14.095 5.488 1.00 0.00 C ATOM 1041 O LYS A 65 -1.191 15.139 6.122 1.00 0.00 O ATOM 1042 CB LYS A 65 -0.342 15.039 3.254 1.00 0.00 C ATOM 1043 CG LYS A 65 1.140 14.765 3.452 1.00 0.00 C ATOM 1044 CD LYS A 65 1.968 15.334 2.312 1.00 0.00 C ATOM 1045 CE LYS A 65 1.755 16.830 2.144 1.00 0.00 C ATOM 1046 NZ LYS A 65 2.397 17.341 0.904 1.00 0.00 N ATOM 0 H LYS A 65 -2.847 15.286 3.404 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.007 13.043 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.567 15.014 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.565 16.047 3.603 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.469 15.201 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.306 13.690 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.024 15.137 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.707 14.824 1.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.687 17.045 2.116 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.163 17.355 3.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.922 18.216 0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.401 17.538 1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.317 16.627 0.152 1.00 0.00 H new ATOM 1060 N GLY A 66 -0.675 12.951 6.051 1.00 0.00 N ATOM 1061 CA GLY A 66 -0.515 12.845 7.488 1.00 0.00 C ATOM 1062 C GLY A 66 -1.621 12.018 8.103 1.00 0.00 C ATOM 1063 O GLY A 66 -2.288 12.450 9.043 1.00 0.00 O ATOM 0 H GLY A 66 -0.490 12.090 5.536 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.450 12.393 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.513 13.841 7.931 1.00 0.00 H new ATOM 1067 N ALA A 67 -1.811 10.822 7.568 1.00 0.00 N ATOM 1068 CA ALA A 67 -2.904 9.967 7.988 1.00 0.00 C ATOM 1069 C ALA A 67 -2.409 8.831 8.876 1.00 0.00 C ATOM 1070 O ALA A 67 -1.213 8.706 9.147 1.00 0.00 O ATOM 1071 CB ALA A 67 -3.629 9.410 6.773 1.00 0.00 C ATOM 0 H ALA A 67 -1.219 10.423 6.840 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.599 10.570 8.573 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.448 8.769 7.100 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.027 10.232 6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.933 8.829 6.169 1.00 0.00 H new ATOM 1077 N SER A 68 -3.337 8.008 9.328 1.00 0.00 N ATOM 1078 CA SER A 68 -3.015 6.870 10.163 1.00 0.00 C ATOM 1079 C SER A 68 -3.670 5.619 9.603 1.00 0.00 C ATOM 1080 O SER A 68 -4.444 5.695 8.645 1.00 0.00 O ATOM 1081 CB SER A 68 -3.513 7.114 11.585 1.00 0.00 C ATOM 1082 OG SER A 68 -4.918 7.328 11.593 1.00 0.00 O ATOM 0 H SER A 68 -4.332 8.111 9.126 1.00 0.00 H new ATOM 0 HA SER A 68 -1.934 6.735 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.266 6.259 12.214 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.005 7.980 12.010 1.00 0.00 H new ATOM 0 HG SER A 68 -5.197 7.637 12.480 1.00 0.00 H new ATOM 1088 N ASP A 69 -3.364 4.480 10.205 1.00 0.00 N ATOM 1089 CA ASP A 69 -4.031 3.225 9.863 1.00 0.00 C ATOM 1090 C ASP A 69 -5.531 3.348 10.112 1.00 0.00 C ATOM 1091 O ASP A 69 -6.347 2.870 9.324 1.00 0.00 O ATOM 1092 CB ASP A 69 -3.442 2.074 10.688 1.00 0.00 C ATOM 1093 CG ASP A 69 -4.273 0.807 10.605 1.00 0.00 C ATOM 1094 OD1 ASP A 69 -4.169 0.078 9.594 1.00 0.00 O ATOM 1095 OD2 ASP A 69 -5.025 0.535 11.566 1.00 0.00 O ATOM 0 H ASP A 69 -2.657 4.395 10.935 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.869 3.012 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.431 1.864 10.340 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.362 2.383 11.730 1.00 0.00 H new ATOM 1100 N GLU A 70 -5.878 4.025 11.204 1.00 0.00 N ATOM 1101 CA GLU A 70 -7.271 4.298 11.545 1.00 0.00 C ATOM 1102 C GLU A 70 -7.951 5.072 10.428 1.00 0.00 C ATOM 1103 O GLU A 70 -9.009 4.681 9.932 1.00 0.00 O ATOM 1104 CB GLU A 70 -7.329 5.127 12.830 1.00 0.00 C ATOM 1105 CG GLU A 70 -8.737 5.512 13.260 1.00 0.00 C ATOM 1106 CD GLU A 70 -8.746 6.474 14.431 1.00 0.00 C ATOM 1107 OE1 GLU A 70 -8.188 7.582 14.300 1.00 0.00 O ATOM 1108 OE2 GLU A 70 -9.328 6.136 15.482 1.00 0.00 O ATOM 0 H GLU A 70 -5.205 4.398 11.874 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.786 3.348 11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.857 4.563 13.635 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.743 6.035 12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.259 5.966 12.418 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.289 4.612 13.530 1.00 0.00 H new ATOM 1115 N GLU A 71 -7.314 6.168 10.046 1.00 0.00 N ATOM 1116 CA GLU A 71 -7.800 7.029 8.975 1.00 0.00 C ATOM 1117 C GLU A 71 -8.019 6.239 7.689 1.00 0.00 C ATOM 1118 O GLU A 71 -9.116 6.235 7.127 1.00 0.00 O ATOM 1119 CB GLU A 71 -6.801 8.163 8.729 1.00 0.00 C ATOM 1120 CG GLU A 71 -7.141 9.058 7.545 1.00 0.00 C ATOM 1121 CD GLU A 71 -8.442 9.815 7.714 1.00 0.00 C ATOM 1122 OE1 GLU A 71 -9.102 9.665 8.766 1.00 0.00 O ATOM 1123 OE2 GLU A 71 -8.811 10.565 6.790 1.00 0.00 O ATOM 0 H GLU A 71 -6.443 6.488 10.470 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.759 7.448 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.740 8.778 9.627 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.813 7.732 8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.331 9.772 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.199 8.448 6.644 1.00 0.00 H new ATOM 1130 N VAL A 72 -6.975 5.552 7.242 1.00 0.00 N ATOM 1131 CA VAL A 72 -7.034 4.799 5.996 1.00 0.00 C ATOM 1132 C VAL A 72 -8.123 3.731 6.053 1.00 0.00 C ATOM 1133 O VAL A 72 -8.887 3.575 5.106 1.00 0.00 O ATOM 1134 CB VAL A 72 -5.675 4.139 5.666 1.00 0.00 C ATOM 1135 CG1 VAL A 72 -5.772 3.282 4.411 1.00 0.00 C ATOM 1136 CG2 VAL A 72 -4.593 5.195 5.504 1.00 0.00 C ATOM 0 H VAL A 72 -6.077 5.501 7.724 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.274 5.509 5.205 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.407 3.490 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.802 2.830 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.513 2.497 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.071 3.904 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.644 4.711 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.863 5.871 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.495 5.761 6.431 1.00 0.00 H new ATOM 1146 N LYS A 73 -8.210 3.023 7.175 1.00 0.00 N ATOM 1147 CA LYS A 73 -9.188 1.950 7.328 1.00 0.00 C ATOM 1148 C LYS A 73 -10.620 2.462 7.199 1.00 0.00 C ATOM 1149 O LYS A 73 -11.437 1.858 6.506 1.00 0.00 O ATOM 1150 CB LYS A 73 -8.988 1.242 8.669 1.00 0.00 C ATOM 1151 CG LYS A 73 -8.247 -0.080 8.543 1.00 0.00 C ATOM 1152 CD LYS A 73 -7.408 -0.379 9.773 1.00 0.00 C ATOM 1153 CE LYS A 73 -8.210 -0.263 11.056 1.00 0.00 C ATOM 1154 NZ LYS A 73 -7.345 -0.431 12.252 1.00 0.00 N ATOM 0 H LYS A 73 -7.616 3.172 7.991 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.026 1.236 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.435 1.899 9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.961 1.064 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.965 -0.885 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.604 -0.053 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.996 -1.385 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.564 0.309 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.701 0.710 11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.997 -1.018 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.666 0.210 13.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.402 -1.414 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.361 -0.207 12.003 1.00 0.00 H new ATOM 1168 N LYS A 74 -10.917 3.583 7.844 1.00 0.00 N ATOM 1169 CA LYS A 74 -12.265 4.141 7.797 1.00 0.00 C ATOM 1170 C LYS A 74 -12.587 4.700 6.415 1.00 0.00 C ATOM 1171 O LYS A 74 -13.664 4.447 5.873 1.00 0.00 O ATOM 1172 CB LYS A 74 -12.450 5.226 8.867 1.00 0.00 C ATOM 1173 CG LYS A 74 -12.970 4.693 10.198 1.00 0.00 C ATOM 1174 CD LYS A 74 -11.982 3.752 10.871 1.00 0.00 C ATOM 1175 CE LYS A 74 -12.588 3.092 12.102 1.00 0.00 C ATOM 1176 NZ LYS A 74 -13.049 4.084 13.108 1.00 0.00 N ATOM 0 H LYS A 74 -10.252 4.120 8.400 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.961 3.328 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.496 5.726 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.143 5.979 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.182 5.530 10.864 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.912 4.170 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.669 2.985 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.088 4.306 11.157 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.429 2.468 11.799 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.850 2.433 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.311 3.592 13.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.283 4.760 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.875 4.596 12.738 1.00 0.00 H new ATOM 1190 N LYS A 75 -11.646 5.435 5.837 1.00 0.00 N ATOM 1191 CA LYS A 75 -11.856 6.056 4.534 1.00 0.00 C ATOM 1192 C LYS A 75 -11.894 5.007 3.421 1.00 0.00 C ATOM 1193 O LYS A 75 -12.601 5.169 2.421 1.00 0.00 O ATOM 1194 CB LYS A 75 -10.770 7.103 4.265 1.00 0.00 C ATOM 1195 CG LYS A 75 -10.783 8.247 5.272 1.00 0.00 C ATOM 1196 CD LYS A 75 -12.137 8.940 5.311 1.00 0.00 C ATOM 1197 CE LYS A 75 -12.287 9.832 6.536 1.00 0.00 C ATOM 1198 NZ LYS A 75 -11.331 10.969 6.537 1.00 0.00 N ATOM 0 H LYS A 75 -10.730 5.616 6.249 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.824 6.557 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.794 6.619 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.904 7.508 3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.541 7.863 6.263 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.010 8.970 5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.264 9.539 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.928 8.190 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.305 10.219 6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.137 9.235 7.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.453 11.524 7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.358 10.605 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.512 11.576 5.712 1.00 0.00 H new ATOM 1212 N LEU A 76 -11.144 3.928 3.608 1.00 0.00 N ATOM 1213 CA LEU A 76 -11.154 2.809 2.674 1.00 0.00 C ATOM 1214 C LEU A 76 -12.483 2.065 2.775 1.00 0.00 C ATOM 1215 O LEU A 76 -13.062 1.656 1.764 1.00 0.00 O ATOM 1216 CB LEU A 76 -9.999 1.853 2.983 1.00 0.00 C ATOM 1217 CG LEU A 76 -9.765 0.750 1.953 1.00 0.00 C ATOM 1218 CD1 LEU A 76 -9.277 1.345 0.642 1.00 0.00 C ATOM 1219 CD2 LEU A 76 -8.769 -0.265 2.485 1.00 0.00 C ATOM 0 H LEU A 76 -10.517 3.804 4.403 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.032 3.193 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.083 2.436 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.184 1.388 3.951 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.710 0.239 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.115 0.546 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.025 2.038 0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.341 1.878 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.612 -1.045 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.822 0.231 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.157 -0.710 3.401 1.00 0.00 H new ATOM 1231 N GLU A 77 -12.953 1.910 4.010 1.00 0.00 N ATOM 1232 CA GLU A 77 -14.226 1.255 4.289 1.00 0.00 C ATOM 1233 C GLU A 77 -15.364 1.974 3.571 1.00 0.00 C ATOM 1234 O GLU A 77 -16.154 1.354 2.855 1.00 0.00 O ATOM 1235 CB GLU A 77 -14.479 1.253 5.799 1.00 0.00 C ATOM 1236 CG GLU A 77 -15.728 0.495 6.217 1.00 0.00 C ATOM 1237 CD GLU A 77 -16.004 0.597 7.704 1.00 0.00 C ATOM 1238 OE1 GLU A 77 -16.664 1.575 8.119 1.00 0.00 O ATOM 1239 OE2 GLU A 77 -15.578 -0.301 8.456 1.00 0.00 O ATOM 0 H GLU A 77 -12.463 2.235 4.843 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.183 0.228 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.616 0.815 6.301 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.560 2.284 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.585 0.882 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.620 -0.554 5.943 1.00 0.00 H new ATOM 1246 N GLU A 78 -15.422 3.290 3.754 1.00 0.00 N ATOM 1247 CA GLU A 78 -16.454 4.118 3.129 1.00 0.00 C ATOM 1248 C GLU A 78 -16.425 3.991 1.612 1.00 0.00 C ATOM 1249 O GLU A 78 -17.467 3.912 0.971 1.00 0.00 O ATOM 1250 CB GLU A 78 -16.276 5.586 3.515 1.00 0.00 C ATOM 1251 CG GLU A 78 -16.489 5.862 4.991 1.00 0.00 C ATOM 1252 CD GLU A 78 -16.310 7.326 5.333 1.00 0.00 C ATOM 1253 OE1 GLU A 78 -17.271 8.103 5.165 1.00 0.00 O ATOM 1254 OE2 GLU A 78 -15.209 7.708 5.774 1.00 0.00 O ATOM 0 H GLU A 78 -14.763 3.810 4.333 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.418 3.761 3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.272 5.906 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.975 6.191 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.492 5.544 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.787 5.266 5.575 1.00 0.00 H new ATOM 1261 N SER A 79 -15.229 3.958 1.047 1.00 0.00 N ATOM 1262 CA SER A 79 -15.065 3.895 -0.396 1.00 0.00 C ATOM 1263 C SER A 79 -15.307 2.480 -0.931 1.00 0.00 C ATOM 1264 O SER A 79 -15.244 2.252 -2.141 1.00 0.00 O ATOM 1265 CB SER A 79 -13.663 4.371 -0.758 1.00 0.00 C ATOM 1266 OG SER A 79 -13.420 5.664 -0.228 1.00 0.00 O ATOM 0 H SER A 79 -14.353 3.974 1.569 1.00 0.00 H new ATOM 0 HA SER A 79 -15.807 4.544 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.924 3.669 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 79 -13.548 4.389 -1.842 1.00 0.00 H new ATOM 0 HG SER A 79 -13.128 5.586 0.704 1.00 0.00 H new ATOM 1272 N ASN A 80 -15.562 1.537 -0.019 1.00 0.00 N ATOM 1273 CA ASN A 80 -15.884 0.151 -0.379 1.00 0.00 C ATOM 1274 C ASN A 80 -14.706 -0.530 -1.086 1.00 0.00 C ATOM 1275 O ASN A 80 -14.854 -1.568 -1.726 1.00 0.00 O ATOM 1276 CB ASN A 80 -17.141 0.118 -1.259 1.00 0.00 C ATOM 1277 CG ASN A 80 -17.706 -1.279 -1.461 1.00 0.00 C ATOM 1278 OD1 ASN A 80 -17.649 -2.112 -0.430 1.00 0.00 O flip ATOM 1279 ND2 ASN A 80 -18.227 -1.593 -2.531 1.00 0.00 N flip ATOM 0 H ASN A 80 -15.551 1.711 0.986 1.00 0.00 H new ATOM 0 HA ASN A 80 -16.080 -0.405 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -17.907 0.749 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.905 0.550 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.252 -0.925 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.634 -2.521 -2.647 1.00 0.00 H new ATOM 1286 N LEU A 81 -13.521 0.037 -0.922 1.00 0.00 N ATOM 1287 CA LEU A 81 -12.334 -0.469 -1.601 1.00 0.00 C ATOM 1288 C LEU A 81 -11.553 -1.399 -0.676 1.00 0.00 C ATOM 1289 O LEU A 81 -10.468 -1.872 -1.012 1.00 0.00 O ATOM 1290 CB LEU A 81 -11.461 0.708 -2.050 1.00 0.00 C ATOM 1291 CG LEU A 81 -10.311 0.360 -2.997 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -10.844 -0.212 -4.300 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -9.448 1.585 -3.264 1.00 0.00 C ATOM 0 H LEU A 81 -13.354 0.847 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.635 -1.040 -2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.099 1.444 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.045 1.186 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.692 -0.399 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.010 -0.453 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.416 -1.116 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.488 0.522 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.635 1.317 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.056 2.366 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.033 1.950 -2.324 1.00 0.00 H new ATOM 1305 N THR A 82 -12.134 -1.671 0.488 1.00 0.00 N ATOM 1306 CA THR A 82 -11.490 -2.496 1.501 1.00 0.00 C ATOM 1307 C THR A 82 -11.238 -3.919 0.998 1.00 0.00 C ATOM 1308 O THR A 82 -10.160 -4.476 1.197 1.00 0.00 O ATOM 1309 CB THR A 82 -12.335 -2.534 2.797 1.00 0.00 C ATOM 1310 OG1 THR A 82 -11.712 -3.369 3.778 1.00 0.00 O ATOM 1311 CG2 THR A 82 -13.755 -3.020 2.529 1.00 0.00 C ATOM 0 H THR A 82 -13.057 -1.328 0.753 1.00 0.00 H new ATOM 0 HA THR A 82 -10.524 -2.041 1.720 1.00 0.00 H new ATOM 0 HB THR A 82 -12.393 -1.514 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.057 -3.143 4.667 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.317 -3.033 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.242 -2.349 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.722 -4.026 2.111 1.00 0.00 H new ATOM 1319 N GLU A 83 -12.228 -4.486 0.322 1.00 0.00 N ATOM 1320 CA GLU A 83 -12.150 -5.868 -0.141 1.00 0.00 C ATOM 1321 C GLU A 83 -11.042 -6.028 -1.182 1.00 0.00 C ATOM 1322 O GLU A 83 -10.297 -7.010 -1.170 1.00 0.00 O ATOM 1323 CB GLU A 83 -13.491 -6.303 -0.734 1.00 0.00 C ATOM 1324 CG GLU A 83 -13.833 -7.762 -0.471 1.00 0.00 C ATOM 1325 CD GLU A 83 -14.160 -8.026 0.988 1.00 0.00 C ATOM 1326 OE1 GLU A 83 -15.286 -7.684 1.415 1.00 0.00 O ATOM 1327 OE2 GLU A 83 -13.303 -8.573 1.713 1.00 0.00 O ATOM 0 H GLU A 83 -13.097 -4.010 0.081 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.916 -6.503 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.281 -5.674 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.475 -6.131 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.683 -8.050 -1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.994 -8.389 -0.772 1.00 0.00 H new ATOM 1334 N TYR A 84 -10.933 -5.052 -2.075 1.00 0.00 N ATOM 1335 CA TYR A 84 -9.887 -5.054 -3.090 1.00 0.00 C ATOM 1336 C TYR A 84 -8.507 -4.978 -2.445 1.00 0.00 C ATOM 1337 O TYR A 84 -7.550 -5.597 -2.915 1.00 0.00 O ATOM 1338 CB TYR A 84 -10.078 -3.880 -4.059 1.00 0.00 C ATOM 1339 CG TYR A 84 -8.919 -3.685 -5.016 1.00 0.00 C ATOM 1340 CD1 TYR A 84 -8.801 -4.457 -6.163 1.00 0.00 C ATOM 1341 CD2 TYR A 84 -7.943 -2.730 -4.762 1.00 0.00 C ATOM 1342 CE1 TYR A 84 -7.740 -4.286 -7.030 1.00 0.00 C ATOM 1343 CE2 TYR A 84 -6.881 -2.551 -5.622 1.00 0.00 C ATOM 1344 CZ TYR A 84 -6.783 -3.329 -6.754 1.00 0.00 C ATOM 1345 OH TYR A 84 -5.722 -3.147 -7.612 1.00 0.00 O ATOM 0 H TYR A 84 -11.558 -4.247 -2.117 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.959 -5.988 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.990 -4.040 -4.634 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.221 -2.965 -3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.551 -5.203 -6.381 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.018 -2.117 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.659 -4.896 -7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.130 -1.805 -5.409 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.143 -2.434 -7.270 1.00 0.00 H new ATOM 1355 N MET A 85 -8.406 -4.220 -1.366 1.00 0.00 N ATOM 1356 CA MET A 85 -7.132 -4.042 -0.686 1.00 0.00 C ATOM 1357 C MET A 85 -6.816 -5.265 0.176 1.00 0.00 C ATOM 1358 O MET A 85 -5.655 -5.575 0.438 1.00 0.00 O ATOM 1359 CB MET A 85 -7.163 -2.778 0.174 1.00 0.00 C ATOM 1360 CG MET A 85 -5.787 -2.299 0.599 1.00 0.00 C ATOM 1361 SD MET A 85 -4.736 -1.893 -0.816 1.00 0.00 S ATOM 1362 CE MET A 85 -3.317 -1.185 0.012 1.00 0.00 C ATOM 0 H MET A 85 -9.187 -3.719 -0.943 1.00 0.00 H new ATOM 0 HA MET A 85 -6.348 -3.933 -1.435 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.660 -1.983 -0.381 1.00 0.00 H new ATOM 0 HB3 MET A 85 -7.763 -2.968 1.064 1.00 0.00 H new ATOM 0 HG2 MET A 85 -5.891 -1.420 1.236 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.304 -3.071 1.198 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.576 -0.884 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.629 -0.314 0.588 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.880 -1.925 0.682 1.00 0.00 H new ATOM 1372 N LYS A 86 -7.864 -5.960 0.596 1.00 0.00 N ATOM 1373 CA LYS A 86 -7.723 -7.161 1.412 1.00 0.00 C ATOM 1374 C LYS A 86 -7.350 -8.360 0.543 1.00 0.00 C ATOM 1375 O LYS A 86 -6.752 -9.324 1.020 1.00 0.00 O ATOM 1376 CB LYS A 86 -9.035 -7.442 2.141 1.00 0.00 C ATOM 1377 CG LYS A 86 -8.932 -8.528 3.202 1.00 0.00 C ATOM 1378 CD LYS A 86 -10.303 -8.915 3.726 1.00 0.00 C ATOM 1379 CE LYS A 86 -10.206 -9.821 4.943 1.00 0.00 C ATOM 1380 NZ LYS A 86 -9.655 -9.101 6.121 1.00 0.00 N ATOM 0 H LYS A 86 -8.830 -5.711 0.383 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.928 -6.998 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.383 -6.522 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.790 -7.732 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.439 -9.405 2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.310 -8.177 4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.860 -8.015 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.863 -9.421 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.194 -10.213 5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.572 -10.677 4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.729 -9.706 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.656 -8.867 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.194 -8.225 6.276 1.00 0.00 H new ATOM 1394 N GLU A 87 -7.728 -8.283 -0.730 1.00 0.00 N ATOM 1395 CA GLU A 87 -7.439 -9.323 -1.709 1.00 0.00 C ATOM 1396 C GLU A 87 -5.970 -9.743 -1.660 1.00 0.00 C ATOM 1397 O GLU A 87 -5.069 -8.928 -1.876 1.00 0.00 O ATOM 1398 CB GLU A 87 -7.790 -8.817 -3.104 1.00 0.00 C ATOM 1399 CG GLU A 87 -7.464 -9.789 -4.222 1.00 0.00 C ATOM 1400 CD GLU A 87 -7.704 -9.190 -5.590 1.00 0.00 C ATOM 1401 OE1 GLU A 87 -6.795 -8.511 -6.113 1.00 0.00 O ATOM 1402 OE2 GLU A 87 -8.804 -9.398 -6.148 1.00 0.00 O ATOM 0 H GLU A 87 -8.246 -7.492 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.043 -10.198 -1.470 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.855 -8.588 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.257 -7.883 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.422 -10.097 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.072 -10.687 -4.109 1.00 0.00 H new ATOM 1409 N LYS A 88 -5.748 -11.020 -1.391 1.00 0.00 N ATOM 1410 CA LYS A 88 -4.404 -11.563 -1.251 1.00 0.00 C ATOM 1411 C LYS A 88 -4.089 -12.531 -2.390 1.00 0.00 C ATOM 1412 O LYS A 88 -4.884 -13.420 -2.701 1.00 0.00 O ATOM 1413 CB LYS A 88 -4.253 -12.258 0.111 1.00 0.00 C ATOM 1414 CG LYS A 88 -5.360 -13.259 0.426 1.00 0.00 C ATOM 1415 CD LYS A 88 -5.241 -13.801 1.845 1.00 0.00 C ATOM 1416 CE LYS A 88 -6.395 -14.734 2.196 1.00 0.00 C ATOM 1417 NZ LYS A 88 -6.372 -15.994 1.404 1.00 0.00 N ATOM 0 H LYS A 88 -6.490 -11.708 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.691 -10.740 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.293 -12.774 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.231 -11.499 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.331 -12.780 0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.317 -14.085 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.297 -14.335 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -5.218 -12.970 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.352 -14.976 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.340 -14.218 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.146 -16.614 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.491 -15.772 0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.462 -16.477 1.547 1.00 0.00 H new ATOM 1431 N ILE A 89 -2.933 -12.345 -3.016 1.00 0.00 N ATOM 1432 CA ILE A 89 -2.522 -13.182 -4.140 1.00 0.00 C ATOM 1433 C ILE A 89 -1.111 -13.719 -3.889 1.00 0.00 C ATOM 1434 O ILE A 89 -0.294 -13.029 -3.283 1.00 0.00 O ATOM 1435 CB ILE A 89 -2.530 -12.407 -5.487 1.00 0.00 C ATOM 1436 CG1 ILE A 89 -3.824 -11.600 -5.676 1.00 0.00 C ATOM 1437 CG2 ILE A 89 -2.348 -13.361 -6.655 1.00 0.00 C ATOM 1438 CD1 ILE A 89 -3.774 -10.212 -5.074 1.00 0.00 C ATOM 0 H ILE A 89 -2.261 -11.620 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.241 -13.998 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.695 -11.707 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.036 -11.516 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.652 -12.150 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.356 -12.799 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.396 -13.882 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.161 -14.087 -6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -4.723 -9.705 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.594 -10.287 -4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.968 -9.643 -5.538 1.00 0.00 H new ATOM 1450 N LYS A 90 -0.840 -14.950 -4.340 1.00 0.00 N ATOM 1451 CA LYS A 90 0.483 -15.572 -4.189 1.00 0.00 C ATOM 1452 C LYS A 90 0.887 -15.679 -2.725 1.00 0.00 C ATOM 1453 O LYS A 90 2.064 -15.603 -2.381 1.00 0.00 O ATOM 1454 CB LYS A 90 1.556 -14.801 -4.974 1.00 0.00 C ATOM 1455 CG LYS A 90 1.805 -15.322 -6.386 1.00 0.00 C ATOM 1456 CD LYS A 90 0.570 -15.219 -7.265 1.00 0.00 C ATOM 1457 CE LYS A 90 0.889 -15.540 -8.718 1.00 0.00 C ATOM 1458 NZ LYS A 90 1.346 -16.944 -8.906 1.00 0.00 N ATOM 0 H LYS A 90 -1.524 -15.539 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 90 0.408 -16.579 -4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.261 -13.753 -5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.492 -14.838 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.620 -14.758 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.127 -16.362 -6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.195 -15.904 -6.900 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.156 -14.213 -7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.003 -15.365 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.661 -14.859 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.534 -17.116 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.217 -17.102 -8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.607 -17.597 -8.575 1.00 0.00 H new ATOM 1472 N ILE A 91 -0.096 -15.917 -1.879 1.00 0.00 N ATOM 1473 CA ILE A 91 0.134 -16.040 -0.443 1.00 0.00 C ATOM 1474 C ILE A 91 0.387 -17.511 -0.088 1.00 0.00 C ATOM 1475 O ILE A 91 0.064 -17.991 1.000 1.00 0.00 O ATOM 1476 CB ILE A 91 -1.072 -15.464 0.349 1.00 0.00 C ATOM 1477 CG1 ILE A 91 -0.750 -15.372 1.849 1.00 0.00 C ATOM 1478 CG2 ILE A 91 -2.328 -16.295 0.107 1.00 0.00 C ATOM 1479 CD1 ILE A 91 -1.852 -14.742 2.672 1.00 0.00 C ATOM 0 H ILE A 91 -1.070 -16.031 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 91 1.016 -15.463 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.264 -14.454 -0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.551 -16.374 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.165 -14.794 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.159 -15.872 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.571 -16.287 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.154 -17.321 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.552 -14.712 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.036 -13.728 2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.763 -15.332 2.572 1.00 0.00 H new ATOM 1491 N ARG A 92 1.017 -18.207 -1.015 1.00 0.00 N ATOM 1492 CA ARG A 92 1.264 -19.631 -0.880 1.00 0.00 C ATOM 1493 C ARG A 92 2.492 -19.888 -0.013 1.00 0.00 C ATOM 1494 O ARG A 92 3.521 -19.224 -0.163 1.00 0.00 O ATOM 1495 CB ARG A 92 1.460 -20.257 -2.259 1.00 0.00 C ATOM 1496 CG ARG A 92 1.545 -21.772 -2.233 1.00 0.00 C ATOM 1497 CD ARG A 92 1.866 -22.336 -3.606 1.00 0.00 C ATOM 1498 NE ARG A 92 1.794 -23.793 -3.618 1.00 0.00 N ATOM 1499 CZ ARG A 92 2.743 -24.585 -4.110 1.00 0.00 C ATOM 1500 NH1 ARG A 92 3.873 -24.062 -4.578 1.00 0.00 N ATOM 1501 NH2 ARG A 92 2.568 -25.901 -4.117 1.00 0.00 N ATOM 0 H ARG A 92 1.372 -17.803 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 92 0.400 -20.087 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.634 -19.959 -2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 92 2.372 -19.858 -2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.312 -22.082 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.599 -22.184 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.168 -21.931 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 92 2.864 -22.018 -3.906 1.00 0.00 H new ATOM 0 HE ARG A 92 0.962 -24.233 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.013 -23.052 -4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.599 -24.671 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 92 1.707 -26.303 -3.746 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.294 -26.510 -4.494 1.00 0.00 H new ATOM 1515 N MET A 93 2.383 -20.852 0.889 1.00 0.00 N ATOM 1516 CA MET A 93 3.500 -21.221 1.746 1.00 0.00 C ATOM 1517 C MET A 93 4.480 -22.107 0.985 1.00 0.00 C ATOM 1518 O MET A 93 4.074 -22.900 0.129 1.00 0.00 O ATOM 1519 CB MET A 93 3.005 -21.940 3.006 1.00 0.00 C ATOM 1520 CG MET A 93 2.094 -21.089 3.873 1.00 0.00 C ATOM 1521 SD MET A 93 1.657 -21.905 5.420 1.00 0.00 S ATOM 1522 CE MET A 93 0.561 -20.689 6.142 1.00 0.00 C ATOM 0 H MET A 93 1.533 -21.393 1.047 1.00 0.00 H new ATOM 0 HA MET A 93 4.013 -20.309 2.051 1.00 0.00 H new ATOM 0 HB2 MET A 93 2.472 -22.845 2.712 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.865 -22.254 3.597 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.586 -20.142 4.092 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.185 -20.855 3.319 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.204 -21.048 7.107 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.099 -19.751 6.280 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.289 -20.526 5.479 1.00 0.00 H new ATOM 1532 N PRO A 94 5.788 -21.969 1.272 1.00 0.00 N ATOM 1533 CA PRO A 94 6.840 -22.758 0.614 1.00 0.00 C ATOM 1534 C PRO A 94 6.645 -24.257 0.810 1.00 0.00 C ATOM 1535 O PRO A 94 6.892 -25.054 -0.100 1.00 0.00 O ATOM 1536 CB PRO A 94 8.129 -22.289 1.300 1.00 0.00 C ATOM 1537 CG PRO A 94 7.800 -20.950 1.859 1.00 0.00 C ATOM 1538 CD PRO A 94 6.350 -21.018 2.247 1.00 0.00 C ATOM 0 HA PRO A 94 6.843 -22.609 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.433 -22.981 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.955 -22.229 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.426 -20.721 2.721 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.972 -20.165 1.123 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.223 -21.368 3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.869 -20.042 2.182 1.00 0.00 H new ATOM 1546 N THR A 95 6.188 -24.632 1.991 1.00 0.00 N ATOM 1547 CA THR A 95 5.940 -26.023 2.317 1.00 0.00 C ATOM 1548 C THR A 95 4.548 -26.186 2.919 1.00 0.00 C ATOM 1549 O THR A 95 4.141 -25.406 3.784 1.00 0.00 O ATOM 1550 CB THR A 95 7.016 -26.581 3.285 1.00 0.00 C ATOM 1551 OG1 THR A 95 6.760 -27.960 3.580 1.00 0.00 O ATOM 1552 CG2 THR A 95 7.069 -25.781 4.583 1.00 0.00 C ATOM 0 H THR A 95 5.979 -23.982 2.749 1.00 0.00 H new ATOM 0 HA THR A 95 5.996 -26.597 1.392 1.00 0.00 H new ATOM 0 HB THR A 95 7.981 -26.491 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.449 -28.297 4.190 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.834 -26.200 5.237 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.311 -24.742 4.360 1.00 0.00 H new ATOM 0 HG23 THR A 95 6.100 -25.829 5.080 1.00 0.00 H new ATOM 1560 N LEU A 96 3.815 -27.177 2.430 1.00 0.00 N ATOM 1561 CA LEU A 96 2.471 -27.458 2.911 1.00 0.00 C ATOM 1562 C LEU A 96 2.035 -28.854 2.474 1.00 0.00 C ATOM 1563 O LEU A 96 1.352 -29.541 3.260 1.00 0.00 O ATOM 1564 CB LEU A 96 1.481 -26.378 2.435 1.00 0.00 C ATOM 1565 CG LEU A 96 1.614 -25.920 0.975 1.00 0.00 C ATOM 1566 CD1 LEU A 96 0.962 -26.911 0.023 1.00 0.00 C ATOM 1567 CD2 LEU A 96 0.996 -24.543 0.801 1.00 0.00 C ATOM 1568 OXT LEU A 96 2.420 -29.279 1.366 1.00 0.00 O ATOM 0 H LEU A 96 4.134 -27.805 1.693 1.00 0.00 H new ATOM 0 HA LEU A 96 2.476 -27.434 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.469 -26.754 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.594 -25.505 3.078 1.00 0.00 H new ATOM 0 HG LEU A 96 2.676 -25.870 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.073 -26.558 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.442 -27.884 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.098 -27.002 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.096 -24.228 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.060 -24.582 1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.508 -23.830 1.447 1.00 0.00 H new TER 1580 LEU A 96