USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 600 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 59 ASN : amide:sc= -3.81! C(o=-4.3!,f=-5.3!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.47 X(o=-4.3,f=-4.4) USER MOD Set 2.1: A 50 THR OG1 : rot -160:sc= 0 USER MOD Set 2.2: A 54 ASN : amide:sc= -2.13! X(o=-4.6!,f=-4.4) USER MOD Set 2.3: A 69 CYS SG : rot 106:sc= -2.43! USER MOD Set 3.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 70 THR OG1 : rot -36:sc= 0.833 USER MOD Set 4.1: A 18 TYR OH : rot 165:sc= 0.102 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 143:sc= 0.103 (180deg=0) USER MOD Set 5.1: A 16 LYS NZ :NH3+ 177:sc= 3.02 (180deg=1.82) USER MOD Set 5.2: A 19 ASN : amide:sc= 0.977 K(o=4,f=-12!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 65:sc= 0.182 USER MOD Single : A 8 SER OG : rot 180:sc= 0.144 USER MOD Single : A 15 SER OG : rot 55:sc= 0.0791 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 64:sc= -1.19! USER MOD Single : A 26 ASN : amide:sc= 0.462 K(o=0.46,f=-9.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0.687 (180deg=0.4) USER MOD Single : A 38 SER OG : rot -84:sc= 0.833 USER MOD Single : A 39 ASN : amide:sc= -0.041 K(o=-0.041,f=-1.2!) USER MOD Single : A 42 SER OG : rot 80:sc= 0.525 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -1.2 USER MOD Single : A 58 LYS NZ :NH3+ 165:sc= -0.47 (180deg=-0.855) USER MOD Single : A 61 MET CE :methyl -151:sc= -0.0423 (180deg=-0.662) USER MOD Single : A 63 THR OG1 : rot -90:sc= 1.19 USER MOD Single : A 72 ASN :FLIP amide:sc= -1.4 F(o=-7.4!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 3 -19.703 -2.210 6.632 1.00 0.00 N ATOM 39 CA LYS A 3 -18.613 -1.472 6.022 1.00 0.00 C ATOM 40 C LYS A 3 -17.294 -1.966 6.595 1.00 0.00 C ATOM 41 O LYS A 3 -17.136 -2.063 7.816 1.00 0.00 O ATOM 42 CB LYS A 3 -18.792 0.027 6.252 1.00 0.00 C ATOM 43 CG LYS A 3 -20.091 0.562 5.669 1.00 0.00 C ATOM 44 CD LYS A 3 -20.256 2.053 5.910 1.00 0.00 C ATOM 45 CE LYS A 3 -21.607 2.541 5.409 1.00 0.00 C ATOM 46 NZ LYS A 3 -21.806 3.998 5.635 1.00 0.00 N ATOM 0 HA LYS A 3 -18.612 -1.640 4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -18.768 0.231 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.952 0.561 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.115 0.364 4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.933 0.029 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.161 2.265 6.975 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.459 2.597 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -21.695 2.326 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.399 1.987 5.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -22.741 4.280 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.750 4.202 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.067 4.531 5.133 1.00 0.00 H new ATOM 60 N ASP A 4 -16.359 -2.288 5.721 1.00 0.00 N ATOM 61 CA ASP A 4 -15.151 -2.985 6.128 1.00 0.00 C ATOM 62 C ASP A 4 -13.911 -2.198 5.723 1.00 0.00 C ATOM 63 O ASP A 4 -13.994 -1.228 4.970 1.00 0.00 O ATOM 64 CB ASP A 4 -15.119 -4.375 5.480 1.00 0.00 C ATOM 65 CG ASP A 4 -14.447 -5.421 6.349 1.00 0.00 C ATOM 66 OD1 ASP A 4 -13.370 -5.140 6.912 1.00 0.00 O ATOM 67 OD2 ASP A 4 -15.010 -6.532 6.482 1.00 0.00 O ATOM 0 H ASP A 4 -16.412 -2.078 4.724 1.00 0.00 H new ATOM 0 HA ASP A 4 -15.155 -3.086 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -16.139 -4.692 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.595 -4.313 4.526 1.00 0.00 H new ATOM 72 N ILE A 5 -12.764 -2.622 6.215 1.00 0.00 N ATOM 73 CA ILE A 5 -11.499 -2.003 5.862 1.00 0.00 C ATOM 74 C ILE A 5 -10.952 -2.644 4.594 1.00 0.00 C ATOM 75 O ILE A 5 -10.443 -3.772 4.633 1.00 0.00 O ATOM 76 CB ILE A 5 -10.462 -2.139 6.998 1.00 0.00 C ATOM 77 CG1 ILE A 5 -10.954 -1.433 8.267 1.00 0.00 C ATOM 78 CG2 ILE A 5 -9.109 -1.586 6.570 1.00 0.00 C ATOM 79 CD1 ILE A 5 -11.145 0.060 8.098 1.00 0.00 C ATOM 0 H ILE A 5 -12.681 -3.401 6.868 1.00 0.00 H new ATOM 0 HA ILE A 5 -11.680 -0.941 5.696 1.00 0.00 H new ATOM 0 HB ILE A 5 -10.341 -3.200 7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -11.899 -1.879 8.577 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.240 -1.610 9.071 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.397 -1.694 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.749 -2.137 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.211 -0.531 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.494 0.491 9.036 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.197 0.519 7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.882 0.246 7.317 1.00 0.00 H new ATOM 91 N PHE A 6 -11.091 -1.955 3.465 1.00 0.00 N ATOM 92 CA PHE A 6 -10.568 -2.468 2.203 1.00 0.00 C ATOM 93 C PHE A 6 -9.064 -2.687 2.294 1.00 0.00 C ATOM 94 O PHE A 6 -8.297 -1.750 2.521 1.00 0.00 O ATOM 95 CB PHE A 6 -10.901 -1.523 1.043 1.00 0.00 C ATOM 96 CG PHE A 6 -10.379 -1.989 -0.290 1.00 0.00 C ATOM 97 CD1 PHE A 6 -11.071 -2.938 -1.026 1.00 0.00 C ATOM 98 CD2 PHE A 6 -9.194 -1.486 -0.800 1.00 0.00 C ATOM 99 CE1 PHE A 6 -10.590 -3.372 -2.246 1.00 0.00 C ATOM 100 CE2 PHE A 6 -8.709 -1.916 -2.019 1.00 0.00 C ATOM 101 CZ PHE A 6 -9.411 -2.860 -2.743 1.00 0.00 C ATOM 0 H PHE A 6 -11.556 -1.050 3.398 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.048 -3.427 2.008 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -11.983 -1.409 0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.489 -0.538 1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -11.996 -3.342 -0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.642 -0.748 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -11.138 -4.112 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.783 -1.515 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 6 -9.036 -3.197 -3.698 1.00 0.00 H new ATOM 111 N THR A 7 -8.655 -3.935 2.132 1.00 0.00 N ATOM 112 CA THR A 7 -7.257 -4.302 2.173 1.00 0.00 C ATOM 113 C THR A 7 -6.873 -5.024 0.881 1.00 0.00 C ATOM 114 O THR A 7 -7.565 -5.951 0.456 1.00 0.00 O ATOM 115 CB THR A 7 -6.960 -5.203 3.393 1.00 0.00 C ATOM 116 OG1 THR A 7 -7.436 -4.569 4.590 1.00 0.00 O ATOM 117 CG2 THR A 7 -5.472 -5.485 3.520 1.00 0.00 C ATOM 0 H THR A 7 -9.287 -4.719 1.969 1.00 0.00 H new ATOM 0 HA THR A 7 -6.663 -3.393 2.268 1.00 0.00 H new ATOM 0 HB THR A 7 -7.475 -6.153 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.412 -4.492 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.295 -6.121 4.387 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.119 -5.991 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.933 -4.546 3.643 1.00 0.00 H new ATOM 125 N SER A 8 -5.791 -4.596 0.253 1.00 0.00 N ATOM 126 CA SER A 8 -5.364 -5.169 -1.015 1.00 0.00 C ATOM 127 C SER A 8 -3.841 -5.238 -1.075 1.00 0.00 C ATOM 128 O SER A 8 -3.168 -4.982 -0.080 1.00 0.00 O ATOM 129 CB SER A 8 -5.913 -4.333 -2.178 1.00 0.00 C ATOM 130 OG SER A 8 -5.707 -4.976 -3.425 1.00 0.00 O ATOM 0 H SER A 8 -5.189 -3.850 0.602 1.00 0.00 H new ATOM 0 HA SER A 8 -5.757 -6.182 -1.099 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.979 -4.158 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.428 -3.357 -2.186 1.00 0.00 H new ATOM 0 HG SER A 8 -6.070 -4.418 -4.145 1.00 0.00 H new ATOM 136 N VAL A 9 -3.301 -5.589 -2.236 1.00 0.00 N ATOM 137 CA VAL A 9 -1.858 -5.662 -2.424 1.00 0.00 C ATOM 138 C VAL A 9 -1.463 -4.921 -3.697 1.00 0.00 C ATOM 139 O VAL A 9 -1.990 -5.202 -4.774 1.00 0.00 O ATOM 140 CB VAL A 9 -1.360 -7.127 -2.507 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.153 -7.173 -2.673 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.789 -7.919 -1.276 1.00 0.00 C ATOM 0 H VAL A 9 -3.845 -5.829 -3.065 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.390 -5.195 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.816 -7.589 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.481 -8.211 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.435 -6.653 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.628 -6.688 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.427 -8.944 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.370 -7.457 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.877 -7.923 -1.207 1.00 0.00 H new ATOM 152 N VAL A 10 -0.551 -3.968 -3.568 1.00 0.00 N ATOM 153 CA VAL A 10 -0.093 -3.194 -4.712 1.00 0.00 C ATOM 154 C VAL A 10 1.365 -3.514 -5.021 1.00 0.00 C ATOM 155 O VAL A 10 2.083 -4.061 -4.177 1.00 0.00 O ATOM 156 CB VAL A 10 -0.259 -1.675 -4.486 1.00 0.00 C ATOM 157 CG1 VAL A 10 -1.714 -1.328 -4.222 1.00 0.00 C ATOM 158 CG2 VAL A 10 0.624 -1.187 -3.345 1.00 0.00 C ATOM 0 H VAL A 10 -0.114 -3.713 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.715 -3.475 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 10 0.058 -1.166 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.809 -0.254 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.320 -1.625 -5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.058 -1.856 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.485 -0.114 -3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.351 -1.706 -2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.669 -1.391 -3.581 1.00 0.00 H new ATOM 168 N ARG A 11 1.800 -3.178 -6.226 1.00 0.00 N ATOM 169 CA ARG A 11 3.162 -3.470 -6.647 1.00 0.00 C ATOM 170 C ARG A 11 4.095 -2.309 -6.346 1.00 0.00 C ATOM 171 O ARG A 11 3.805 -1.155 -6.671 1.00 0.00 O ATOM 172 CB ARG A 11 3.215 -3.803 -8.135 1.00 0.00 C ATOM 173 CG ARG A 11 2.690 -5.186 -8.465 1.00 0.00 C ATOM 174 CD ARG A 11 2.924 -5.527 -9.925 1.00 0.00 C ATOM 175 NE ARG A 11 2.576 -6.912 -10.230 1.00 0.00 N ATOM 176 CZ ARG A 11 3.007 -7.567 -11.307 1.00 0.00 C ATOM 177 NH1 ARG A 11 3.856 -6.982 -12.145 1.00 0.00 N ATOM 178 NH2 ARG A 11 2.609 -8.815 -11.528 1.00 0.00 N ATOM 0 H ARG A 11 1.232 -2.704 -6.928 1.00 0.00 H new ATOM 0 HA ARG A 11 3.496 -4.338 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.635 -3.062 -8.686 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.246 -3.722 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.182 -5.925 -7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.624 -5.236 -8.243 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.333 -4.859 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.971 -5.354 -10.174 1.00 0.00 H new ATOM 0 HE ARG A 11 1.966 -7.408 -9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.178 -6.031 -11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.186 -7.484 -12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.974 -9.271 -10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.939 -9.317 -12.352 1.00 0.00 H new ATOM 192 N VAL A 12 5.218 -2.628 -5.726 1.00 0.00 N ATOM 193 CA VAL A 12 6.218 -1.638 -5.381 1.00 0.00 C ATOM 194 C VAL A 12 7.437 -1.806 -6.275 1.00 0.00 C ATOM 195 O VAL A 12 8.051 -2.874 -6.312 1.00 0.00 O ATOM 196 CB VAL A 12 6.655 -1.772 -3.906 1.00 0.00 C ATOM 197 CG1 VAL A 12 7.476 -0.574 -3.470 1.00 0.00 C ATOM 198 CG2 VAL A 12 5.452 -1.953 -3.000 1.00 0.00 C ATOM 0 H VAL A 12 5.460 -3.579 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 12 5.777 -0.652 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 12 7.282 -2.660 -3.824 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.770 -0.695 -2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.368 -0.498 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.881 0.333 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.786 -2.045 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.793 -1.090 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.912 -2.855 -3.289 1.00 0.00 H new ATOM 208 N ARG A 13 7.783 -0.763 -7.002 1.00 0.00 N ATOM 209 CA ARG A 13 8.953 -0.794 -7.858 1.00 0.00 C ATOM 210 C ARG A 13 10.109 -0.100 -7.157 1.00 0.00 C ATOM 211 O ARG A 13 9.894 0.739 -6.284 1.00 0.00 O ATOM 212 CB ARG A 13 8.659 -0.125 -9.203 1.00 0.00 C ATOM 213 CG ARG A 13 7.536 -0.789 -9.988 1.00 0.00 C ATOM 214 CD ARG A 13 7.401 -0.192 -11.382 1.00 0.00 C ATOM 215 NE ARG A 13 7.194 1.255 -11.346 1.00 0.00 N ATOM 216 CZ ARG A 13 8.077 2.147 -11.801 1.00 0.00 C ATOM 217 NH1 ARG A 13 9.227 1.745 -12.333 1.00 0.00 N ATOM 218 NH2 ARG A 13 7.796 3.439 -11.724 1.00 0.00 N ATOM 0 H ARG A 13 7.270 0.118 -7.018 1.00 0.00 H new ATOM 0 HA ARG A 13 9.223 -1.832 -8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.400 0.919 -9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.566 -0.132 -9.808 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.729 -1.859 -10.066 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.596 -0.673 -9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.299 -0.415 -11.959 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.565 -0.664 -11.898 1.00 0.00 H new ATOM 0 HE ARG A 13 6.322 1.604 -10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.440 0.749 -12.396 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.897 2.432 -12.679 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.911 3.745 -11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.465 4.128 -12.069 1.00 0.00 H new ATOM 232 N GLY A 14 11.328 -0.466 -7.509 1.00 0.00 N ATOM 233 CA GLY A 14 12.479 0.146 -6.886 1.00 0.00 C ATOM 234 C GLY A 14 13.415 -0.875 -6.278 1.00 0.00 C ATOM 235 O GLY A 14 13.048 -2.045 -6.109 1.00 0.00 O ATOM 0 H GLY A 14 11.542 -1.173 -8.212 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.020 0.735 -7.627 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.146 0.836 -6.111 1.00 0.00 H new ATOM 239 N SER A 15 14.615 -0.431 -5.935 1.00 0.00 N ATOM 240 CA SER A 15 15.644 -1.306 -5.398 1.00 0.00 C ATOM 241 C SER A 15 15.465 -1.537 -3.897 1.00 0.00 C ATOM 242 O SER A 15 16.067 -0.849 -3.071 1.00 0.00 O ATOM 243 CB SER A 15 17.019 -0.706 -5.689 1.00 0.00 C ATOM 244 OG SER A 15 17.021 0.694 -5.436 1.00 0.00 O ATOM 0 H SER A 15 14.902 0.544 -6.021 1.00 0.00 H new ATOM 0 HA SER A 15 15.558 -2.278 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.772 -1.193 -5.070 1.00 0.00 H new ATOM 0 HB3 SER A 15 17.290 -0.893 -6.728 1.00 0.00 H new ATOM 0 HG SER A 15 16.717 0.861 -4.519 1.00 0.00 H new ATOM 250 N LYS A 16 14.630 -2.503 -3.557 1.00 0.00 N ATOM 251 CA LYS A 16 14.381 -2.869 -2.169 1.00 0.00 C ATOM 252 C LYS A 16 14.071 -4.359 -2.073 1.00 0.00 C ATOM 253 O LYS A 16 14.147 -5.074 -3.072 1.00 0.00 O ATOM 254 CB LYS A 16 13.232 -2.032 -1.566 1.00 0.00 C ATOM 255 CG LYS A 16 12.074 -1.737 -2.518 1.00 0.00 C ATOM 256 CD LYS A 16 11.544 -2.996 -3.185 1.00 0.00 C ATOM 257 CE LYS A 16 10.395 -2.694 -4.121 1.00 0.00 C ATOM 258 NZ LYS A 16 10.556 -3.372 -5.435 1.00 0.00 N ATOM 0 H LYS A 16 14.104 -3.057 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 16 15.280 -2.656 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.840 -2.556 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.640 -1.086 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.268 -1.253 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.405 -1.034 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.348 -3.479 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.215 -3.701 -2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.459 -3.012 -3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.325 -1.617 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.724 -3.181 -6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.409 -3.013 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.648 -4.397 -5.288 1.00 0.00 H new ATOM 272 N LYS A 17 13.706 -4.822 -0.886 1.00 0.00 N ATOM 273 CA LYS A 17 13.392 -6.230 -0.688 1.00 0.00 C ATOM 274 C LYS A 17 11.924 -6.514 -1.008 1.00 0.00 C ATOM 275 O LYS A 17 11.617 -7.314 -1.889 1.00 0.00 O ATOM 276 CB LYS A 17 13.708 -6.650 0.750 1.00 0.00 C ATOM 277 CG LYS A 17 14.546 -7.918 0.844 1.00 0.00 C ATOM 278 CD LYS A 17 13.888 -9.086 0.126 1.00 0.00 C ATOM 279 CE LYS A 17 14.752 -10.337 0.177 1.00 0.00 C ATOM 280 NZ LYS A 17 14.197 -11.417 -0.678 1.00 0.00 N ATOM 0 H LYS A 17 13.620 -4.246 -0.049 1.00 0.00 H new ATOM 0 HA LYS A 17 14.010 -6.813 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.236 -5.838 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.773 -6.801 1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.531 -7.735 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.699 -8.175 1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.920 -9.294 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.701 -8.815 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.763 -10.096 -0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.826 -10.688 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.810 -12.255 -0.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.242 -11.664 -0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.150 -11.090 -1.664 1.00 0.00 H new ATOM 294 N TYR A 18 11.023 -5.850 -0.292 1.00 0.00 N ATOM 295 CA TYR A 18 9.589 -6.067 -0.468 1.00 0.00 C ATOM 296 C TYR A 18 9.096 -5.459 -1.775 1.00 0.00 C ATOM 297 O TYR A 18 9.026 -4.239 -1.911 1.00 0.00 O ATOM 298 CB TYR A 18 8.811 -5.470 0.707 1.00 0.00 C ATOM 299 CG TYR A 18 8.103 -6.496 1.565 1.00 0.00 C ATOM 300 CD1 TYR A 18 6.973 -7.153 1.099 1.00 0.00 C ATOM 301 CD2 TYR A 18 8.561 -6.803 2.841 1.00 0.00 C ATOM 302 CE1 TYR A 18 6.312 -8.085 1.877 1.00 0.00 C ATOM 303 CE2 TYR A 18 7.906 -7.734 3.628 1.00 0.00 C ATOM 304 CZ TYR A 18 6.784 -8.373 3.140 1.00 0.00 C ATOM 305 OH TYR A 18 6.126 -9.298 3.921 1.00 0.00 O ATOM 0 H TYR A 18 11.259 -5.156 0.417 1.00 0.00 H new ATOM 0 HA TYR A 18 9.417 -7.143 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.499 -4.901 1.333 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.075 -4.765 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.603 -6.932 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 18 9.441 -6.308 3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.432 -8.584 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 18 8.271 -7.959 4.619 1.00 0.00 H new ATOM 0 HH TYR A 18 6.700 -9.560 4.671 1.00 0.00 H new ATOM 315 N ASN A 19 8.749 -6.317 -2.728 1.00 0.00 N ATOM 316 CA ASN A 19 8.336 -5.869 -4.056 1.00 0.00 C ATOM 317 C ASN A 19 6.829 -5.650 -4.129 1.00 0.00 C ATOM 318 O ASN A 19 6.331 -5.018 -5.059 1.00 0.00 O ATOM 319 CB ASN A 19 8.764 -6.879 -5.124 1.00 0.00 C ATOM 320 CG ASN A 19 10.269 -6.964 -5.281 1.00 0.00 C ATOM 321 OD1 ASN A 19 10.988 -5.987 -5.061 1.00 0.00 O ATOM 322 ND2 ASN A 19 10.755 -8.127 -5.675 1.00 0.00 N ATOM 0 H ASN A 19 8.745 -7.330 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 19 8.830 -4.916 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.374 -7.863 -4.864 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.319 -6.602 -6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.760 -8.241 -5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.126 -8.911 -5.846 1.00 0.00 H new ATOM 329 N VAL A 20 6.107 -6.176 -3.153 1.00 0.00 N ATOM 330 CA VAL A 20 4.660 -6.003 -3.087 1.00 0.00 C ATOM 331 C VAL A 20 4.234 -5.690 -1.663 1.00 0.00 C ATOM 332 O VAL A 20 4.638 -6.374 -0.723 1.00 0.00 O ATOM 333 CB VAL A 20 3.897 -7.254 -3.592 1.00 0.00 C ATOM 334 CG1 VAL A 20 4.030 -7.391 -5.100 1.00 0.00 C ATOM 335 CG2 VAL A 20 4.394 -8.517 -2.901 1.00 0.00 C ATOM 0 H VAL A 20 6.499 -6.729 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 20 4.406 -5.170 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 20 2.843 -7.123 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.487 -8.275 -5.434 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.616 -6.506 -5.584 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.083 -7.490 -5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.841 -9.378 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.456 -8.651 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.242 -8.427 -1.825 1.00 0.00 H new ATOM 345 N VAL A 21 3.444 -4.642 -1.490 1.00 0.00 N ATOM 346 CA VAL A 21 2.996 -4.261 -0.161 1.00 0.00 C ATOM 347 C VAL A 21 1.471 -4.312 -0.040 1.00 0.00 C ATOM 348 O VAL A 21 0.745 -3.801 -0.897 1.00 0.00 O ATOM 349 CB VAL A 21 3.509 -2.855 0.240 1.00 0.00 C ATOM 350 CG1 VAL A 21 2.964 -1.774 -0.685 1.00 0.00 C ATOM 351 CG2 VAL A 21 3.147 -2.557 1.683 1.00 0.00 C ATOM 0 H VAL A 21 3.103 -4.046 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 21 3.422 -4.991 0.527 1.00 0.00 H new ATOM 0 HB VAL A 21 4.594 -2.853 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.345 -0.802 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.281 -1.977 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.875 -1.769 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.513 -1.566 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.064 -2.588 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.604 -3.302 2.334 1.00 0.00 H new ATOM 361 N PRO A 22 0.971 -4.982 1.009 1.00 0.00 N ATOM 362 CA PRO A 22 -0.447 -4.946 1.361 1.00 0.00 C ATOM 363 C PRO A 22 -0.862 -3.572 1.881 1.00 0.00 C ATOM 364 O PRO A 22 -0.259 -3.032 2.815 1.00 0.00 O ATOM 365 CB PRO A 22 -0.582 -6.003 2.460 1.00 0.00 C ATOM 366 CG PRO A 22 0.785 -6.137 3.035 1.00 0.00 C ATOM 367 CD PRO A 22 1.741 -5.858 1.909 1.00 0.00 C ATOM 0 HA PRO A 22 -1.088 -5.140 0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -1.301 -5.694 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.934 -6.951 2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.933 -5.434 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.941 -7.137 3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.648 -5.369 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.049 -6.776 1.408 1.00 0.00 H new ATOM 375 N VAL A 23 -1.885 -3.015 1.261 1.00 0.00 N ATOM 376 CA VAL A 23 -2.387 -1.700 1.611 1.00 0.00 C ATOM 377 C VAL A 23 -3.790 -1.813 2.188 1.00 0.00 C ATOM 378 O VAL A 23 -4.493 -2.796 1.948 1.00 0.00 O ATOM 379 CB VAL A 23 -2.405 -0.758 0.389 1.00 0.00 C ATOM 380 CG1 VAL A 23 -0.992 -0.485 -0.096 1.00 0.00 C ATOM 381 CG2 VAL A 23 -3.241 -1.348 -0.735 1.00 0.00 C ATOM 0 H VAL A 23 -2.393 -3.463 0.498 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.715 -1.277 2.358 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.857 0.185 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.026 0.181 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.417 -0.016 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.517 -1.424 -0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.239 -0.667 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.820 -2.307 -1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.264 -1.494 -0.389 1.00 0.00 H new ATOM 391 N LYS A 24 -4.193 -0.809 2.941 1.00 0.00 N ATOM 392 CA LYS A 24 -5.469 -0.833 3.627 1.00 0.00 C ATOM 393 C LYS A 24 -6.128 0.541 3.590 1.00 0.00 C ATOM 394 O LYS A 24 -5.526 1.515 3.137 1.00 0.00 O ATOM 395 CB LYS A 24 -5.257 -1.293 5.072 1.00 0.00 C ATOM 396 CG LYS A 24 -4.262 -0.434 5.838 1.00 0.00 C ATOM 397 CD LYS A 24 -3.756 -1.130 7.092 1.00 0.00 C ATOM 398 CE LYS A 24 -4.870 -1.398 8.086 1.00 0.00 C ATOM 399 NZ LYS A 24 -4.352 -2.039 9.321 1.00 0.00 N ATOM 0 H LYS A 24 -3.650 0.041 3.094 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.134 -1.533 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.214 -1.281 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.908 -2.326 5.070 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.418 -0.193 5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.733 0.510 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.282 -2.072 6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.990 -0.514 7.564 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.365 -0.461 8.341 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.621 -2.041 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.138 -2.209 9.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.901 -2.944 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.653 -1.413 9.770 1.00 0.00 H new ATOM 413 N SER A 25 -7.352 0.611 4.081 1.00 0.00 N ATOM 414 CA SER A 25 -8.097 1.861 4.109 1.00 0.00 C ATOM 415 C SER A 25 -8.220 2.363 5.540 1.00 0.00 C ATOM 416 O SER A 25 -8.629 1.621 6.432 1.00 0.00 O ATOM 417 CB SER A 25 -9.486 1.643 3.509 1.00 0.00 C ATOM 418 OG SER A 25 -9.390 1.008 2.247 1.00 0.00 O ATOM 0 H SER A 25 -7.855 -0.187 4.468 1.00 0.00 H new ATOM 0 HA SER A 25 -7.565 2.609 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.088 1.034 4.184 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.996 2.600 3.403 1.00 0.00 H new ATOM 0 HG SER A 25 -9.012 0.111 2.360 1.00 0.00 H new ATOM 424 N ASN A 26 -7.835 3.616 5.760 1.00 0.00 N ATOM 425 CA ASN A 26 -7.906 4.217 7.087 1.00 0.00 C ATOM 426 C ASN A 26 -9.353 4.345 7.550 1.00 0.00 C ATOM 427 O ASN A 26 -9.644 4.274 8.744 1.00 0.00 O ATOM 428 CB ASN A 26 -7.219 5.590 7.104 1.00 0.00 C ATOM 429 CG ASN A 26 -7.894 6.620 6.211 1.00 0.00 C ATOM 430 OD1 ASN A 26 -8.518 6.284 5.204 1.00 0.00 O ATOM 431 ND2 ASN A 26 -7.779 7.883 6.580 1.00 0.00 N ATOM 0 H ASN A 26 -7.470 4.235 5.036 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.380 3.559 7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.201 5.965 8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.182 5.472 6.789 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.215 8.618 6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.254 8.123 7.421 1.00 0.00 H new ATOM 438 N LYS A 27 -10.256 4.531 6.602 1.00 0.00 N ATOM 439 CA LYS A 27 -11.673 4.624 6.901 1.00 0.00 C ATOM 440 C LYS A 27 -12.392 3.399 6.355 1.00 0.00 C ATOM 441 O LYS A 27 -12.082 2.940 5.256 1.00 0.00 O ATOM 442 CB LYS A 27 -12.266 5.897 6.290 1.00 0.00 C ATOM 443 CG LYS A 27 -11.583 7.173 6.757 1.00 0.00 C ATOM 444 CD LYS A 27 -12.153 8.401 6.061 1.00 0.00 C ATOM 445 CE LYS A 27 -11.357 9.656 6.389 1.00 0.00 C ATOM 446 NZ LYS A 27 -11.510 10.082 7.805 1.00 0.00 N ATOM 0 H LYS A 27 -10.029 4.621 5.612 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.804 4.666 7.982 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -12.197 5.835 5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.326 5.950 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.703 7.277 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.513 7.107 6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.152 8.241 4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.191 8.540 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.302 9.477 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.678 10.466 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.947 10.940 7.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.512 10.281 8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.178 9.323 8.434 1.00 0.00 H new ATOM 460 N PRO A 28 -13.342 2.842 7.119 1.00 0.00 N ATOM 461 CA PRO A 28 -14.118 1.678 6.682 1.00 0.00 C ATOM 462 C PRO A 28 -14.993 2.010 5.486 1.00 0.00 C ATOM 463 O PRO A 28 -15.902 2.844 5.571 1.00 0.00 O ATOM 464 CB PRO A 28 -14.982 1.325 7.900 1.00 0.00 C ATOM 465 CG PRO A 28 -14.365 2.056 9.046 1.00 0.00 C ATOM 466 CD PRO A 28 -13.736 3.287 8.461 1.00 0.00 C ATOM 0 HA PRO A 28 -13.478 0.856 6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.017 1.631 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.990 0.250 8.078 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.116 2.318 9.791 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.620 1.438 9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.438 4.120 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.878 3.620 9.045 1.00 0.00 H new ATOM 474 N VAL A 29 -14.717 1.349 4.378 1.00 0.00 N ATOM 475 CA VAL A 29 -15.390 1.630 3.126 1.00 0.00 C ATOM 476 C VAL A 29 -16.595 0.721 2.939 1.00 0.00 C ATOM 477 O VAL A 29 -16.725 -0.310 3.603 1.00 0.00 O ATOM 478 CB VAL A 29 -14.439 1.455 1.923 1.00 0.00 C ATOM 479 CG1 VAL A 29 -13.313 2.476 1.966 1.00 0.00 C ATOM 480 CG2 VAL A 29 -13.879 0.044 1.879 1.00 0.00 C ATOM 0 H VAL A 29 -14.022 0.605 4.321 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.721 2.668 3.170 1.00 0.00 H new ATOM 0 HB VAL A 29 -15.015 1.624 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.657 2.331 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.732 3.482 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.741 2.348 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.212 -0.056 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.325 -0.156 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.698 -0.670 1.786 1.00 0.00 H new ATOM 490 N GLU A 30 -17.477 1.113 2.039 1.00 0.00 N ATOM 491 CA GLU A 30 -18.645 0.315 1.729 1.00 0.00 C ATOM 492 C GLU A 30 -18.270 -0.819 0.786 1.00 0.00 C ATOM 493 O GLU A 30 -17.387 -0.670 -0.065 1.00 0.00 O ATOM 494 CB GLU A 30 -19.735 1.192 1.114 1.00 0.00 C ATOM 495 CG GLU A 30 -20.222 2.281 2.058 1.00 0.00 C ATOM 496 CD GLU A 30 -21.370 3.084 1.487 1.00 0.00 C ATOM 497 OE1 GLU A 30 -22.463 2.515 1.311 1.00 0.00 O ATOM 498 OE2 GLU A 30 -21.186 4.293 1.234 1.00 0.00 O ATOM 0 H GLU A 30 -17.405 1.982 1.509 1.00 0.00 H new ATOM 0 HA GLU A 30 -19.033 -0.118 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.353 1.652 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -20.578 0.565 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -20.535 1.827 2.998 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -19.395 2.952 2.288 1.00 0.00 H new ATOM 505 N ILE A 31 -18.932 -1.953 0.951 1.00 0.00 N ATOM 506 CA ILE A 31 -18.650 -3.129 0.141 1.00 0.00 C ATOM 507 C ILE A 31 -19.142 -2.938 -1.291 1.00 0.00 C ATOM 508 O ILE A 31 -19.719 -1.902 -1.620 1.00 0.00 O ATOM 509 CB ILE A 31 -19.279 -4.397 0.749 1.00 0.00 C ATOM 510 CG1 ILE A 31 -20.774 -4.185 1.007 1.00 0.00 C ATOM 511 CG2 ILE A 31 -18.553 -4.775 2.033 1.00 0.00 C ATOM 512 CD1 ILE A 31 -21.455 -5.380 1.635 1.00 0.00 C ATOM 0 H ILE A 31 -19.671 -2.085 1.641 1.00 0.00 H new ATOM 0 HA ILE A 31 -17.568 -3.258 0.126 1.00 0.00 H new ATOM 0 HB ILE A 31 -19.174 -5.218 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -20.903 -3.320 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -21.267 -3.950 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.005 -5.672 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -17.502 -4.966 1.814 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.632 -3.957 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -22.511 -5.158 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -21.358 -6.242 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -20.988 -5.602 2.594 1.00 0.00 H new ATOM 524 N SER A 32 -18.890 -3.938 -2.134 1.00 0.00 N ATOM 525 CA SER A 32 -19.208 -3.877 -3.567 1.00 0.00 C ATOM 526 C SER A 32 -18.285 -2.909 -4.321 1.00 0.00 C ATOM 527 O SER A 32 -18.050 -3.074 -5.518 1.00 0.00 O ATOM 528 CB SER A 32 -20.682 -3.513 -3.793 1.00 0.00 C ATOM 529 OG SER A 32 -21.531 -4.544 -3.314 1.00 0.00 O ATOM 0 H SER A 32 -18.459 -4.816 -1.846 1.00 0.00 H new ATOM 0 HA SER A 32 -19.036 -4.874 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 32 -20.913 -2.578 -3.283 1.00 0.00 H new ATOM 0 HB3 SER A 32 -20.863 -3.350 -4.855 1.00 0.00 H new ATOM 0 HG SER A 32 -22.466 -4.294 -3.465 1.00 0.00 H new ATOM 535 N LYS A 33 -17.738 -1.922 -3.618 1.00 0.00 N ATOM 536 CA LYS A 33 -16.818 -0.967 -4.224 1.00 0.00 C ATOM 537 C LYS A 33 -15.396 -1.533 -4.227 1.00 0.00 C ATOM 538 O LYS A 33 -14.441 -0.839 -4.573 1.00 0.00 O ATOM 539 CB LYS A 33 -16.843 0.359 -3.461 1.00 0.00 C ATOM 540 CG LYS A 33 -16.709 1.587 -4.357 1.00 0.00 C ATOM 541 CD LYS A 33 -16.354 2.822 -3.547 1.00 0.00 C ATOM 542 CE LYS A 33 -16.560 4.114 -4.331 1.00 0.00 C ATOM 543 NZ LYS A 33 -15.935 4.077 -5.683 1.00 0.00 N ATOM 0 H LYS A 33 -17.917 -1.763 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 33 -17.135 -0.789 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -17.776 0.428 -2.902 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.033 0.363 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -15.941 1.409 -5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.645 1.755 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.964 2.848 -2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -15.314 2.756 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -17.628 4.304 -4.435 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -16.142 4.947 -3.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.003 5.017 -6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.934 3.807 -5.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -16.431 3.381 -6.276 1.00 0.00 H new ATOM 557 N TRP A 34 -15.272 -2.803 -3.844 1.00 0.00 N ATOM 558 CA TRP A 34 -13.972 -3.469 -3.789 1.00 0.00 C ATOM 559 C TRP A 34 -13.331 -3.532 -5.172 1.00 0.00 C ATOM 560 O TRP A 34 -12.114 -3.416 -5.310 1.00 0.00 O ATOM 561 CB TRP A 34 -14.107 -4.882 -3.193 1.00 0.00 C ATOM 562 CG TRP A 34 -15.168 -5.728 -3.838 1.00 0.00 C ATOM 563 CD1 TRP A 34 -16.475 -5.816 -3.463 1.00 0.00 C ATOM 564 CD2 TRP A 34 -15.012 -6.612 -4.956 1.00 0.00 C ATOM 565 NE1 TRP A 34 -17.146 -6.685 -4.285 1.00 0.00 N ATOM 566 CE2 TRP A 34 -16.272 -7.188 -5.209 1.00 0.00 C ATOM 567 CE3 TRP A 34 -13.937 -6.966 -5.775 1.00 0.00 C ATOM 568 CZ2 TRP A 34 -16.483 -8.098 -6.238 1.00 0.00 C ATOM 569 CZ3 TRP A 34 -14.147 -7.872 -6.798 1.00 0.00 C ATOM 570 CH2 TRP A 34 -15.413 -8.427 -7.023 1.00 0.00 C ATOM 0 H TRP A 34 -16.057 -3.392 -3.567 1.00 0.00 H new ATOM 0 HA TRP A 34 -13.323 -2.882 -3.140 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -13.148 -5.393 -3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -14.326 -4.795 -2.129 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -16.919 -5.279 -2.638 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -18.137 -6.918 -4.218 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -12.958 -6.539 -5.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -17.458 -8.530 -6.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -13.322 -8.156 -7.434 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -15.547 -9.129 -7.833 1.00 0.00 H new ATOM 581 N ILE A 35 -14.160 -3.696 -6.197 1.00 0.00 N ATOM 582 CA ILE A 35 -13.677 -3.770 -7.568 1.00 0.00 C ATOM 583 C ILE A 35 -13.173 -2.406 -8.032 1.00 0.00 C ATOM 584 O ILE A 35 -12.231 -2.306 -8.812 1.00 0.00 O ATOM 585 CB ILE A 35 -14.780 -4.285 -8.522 1.00 0.00 C ATOM 586 CG1 ILE A 35 -14.243 -4.413 -9.952 1.00 0.00 C ATOM 587 CG2 ILE A 35 -16.002 -3.375 -8.482 1.00 0.00 C ATOM 588 CD1 ILE A 35 -15.242 -4.994 -10.928 1.00 0.00 C ATOM 0 H ILE A 35 -15.172 -3.780 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.849 -4.478 -7.592 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.086 -5.275 -8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.935 -3.429 -10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.352 -5.041 -9.941 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.763 -3.758 -9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.401 -3.346 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -15.716 -2.369 -8.788 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.791 -5.054 -11.918 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.532 -5.992 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.124 -4.355 -10.969 1.00 0.00 H new ATOM 600 N ASP A 36 -13.790 -1.364 -7.507 1.00 0.00 N ATOM 601 CA ASP A 36 -13.440 0.006 -7.858 1.00 0.00 C ATOM 602 C ASP A 36 -12.031 0.349 -7.383 1.00 0.00 C ATOM 603 O ASP A 36 -11.162 0.712 -8.179 1.00 0.00 O ATOM 604 CB ASP A 36 -14.457 0.963 -7.237 1.00 0.00 C ATOM 605 CG ASP A 36 -14.153 2.419 -7.507 1.00 0.00 C ATOM 606 OD1 ASP A 36 -14.486 2.900 -8.610 1.00 0.00 O ATOM 607 OD2 ASP A 36 -13.629 3.095 -6.600 1.00 0.00 O ATOM 0 H ASP A 36 -14.546 -1.439 -6.827 1.00 0.00 H new ATOM 0 HA ASP A 36 -13.460 0.107 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.449 0.729 -7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -14.488 0.800 -6.160 1.00 0.00 H new ATOM 612 N PHE A 37 -11.804 0.200 -6.083 1.00 0.00 N ATOM 613 CA PHE A 37 -10.518 0.541 -5.492 1.00 0.00 C ATOM 614 C PHE A 37 -9.403 -0.357 -6.021 1.00 0.00 C ATOM 615 O PHE A 37 -8.277 0.100 -6.220 1.00 0.00 O ATOM 616 CB PHE A 37 -10.577 0.453 -3.969 1.00 0.00 C ATOM 617 CG PHE A 37 -11.496 1.461 -3.337 1.00 0.00 C ATOM 618 CD1 PHE A 37 -11.424 2.801 -3.689 1.00 0.00 C ATOM 619 CD2 PHE A 37 -12.422 1.073 -2.383 1.00 0.00 C ATOM 620 CE1 PHE A 37 -12.257 3.731 -3.101 1.00 0.00 C ATOM 621 CE2 PHE A 37 -13.258 1.999 -1.793 1.00 0.00 C ATOM 622 CZ PHE A 37 -13.176 3.331 -2.152 1.00 0.00 C ATOM 0 H PHE A 37 -12.493 -0.154 -5.420 1.00 0.00 H new ATOM 0 HA PHE A 37 -10.294 1.569 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.901 -0.548 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.573 0.589 -3.568 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -10.708 3.120 -4.432 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.491 0.034 -2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.190 4.771 -3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -13.976 1.683 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 37 -13.829 4.057 -1.691 1.00 0.00 H new ATOM 632 N SER A 38 -9.712 -1.629 -6.258 1.00 0.00 N ATOM 633 CA SER A 38 -8.712 -2.555 -6.768 1.00 0.00 C ATOM 634 C SER A 38 -8.305 -2.182 -8.190 1.00 0.00 C ATOM 635 O SER A 38 -7.137 -2.293 -8.550 1.00 0.00 O ATOM 636 CB SER A 38 -9.220 -3.998 -6.706 1.00 0.00 C ATOM 637 OG SER A 38 -10.490 -4.122 -7.313 1.00 0.00 O ATOM 0 H SER A 38 -10.635 -2.036 -6.107 1.00 0.00 H new ATOM 0 HA SER A 38 -7.829 -2.483 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.510 -4.657 -7.205 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.278 -4.321 -5.667 1.00 0.00 H new ATOM 0 HG SER A 38 -11.187 -3.886 -6.665 1.00 0.00 H new ATOM 643 N ASN A 39 -9.269 -1.722 -8.987 1.00 0.00 N ATOM 644 CA ASN A 39 -8.982 -1.221 -10.332 1.00 0.00 C ATOM 645 C ASN A 39 -7.928 -0.129 -10.275 1.00 0.00 C ATOM 646 O ASN A 39 -6.940 -0.164 -11.006 1.00 0.00 O ATOM 647 CB ASN A 39 -10.244 -0.657 -10.988 1.00 0.00 C ATOM 648 CG ASN A 39 -11.098 -1.710 -11.664 1.00 0.00 C ATOM 649 OD1 ASN A 39 -10.592 -2.697 -12.199 1.00 0.00 O ATOM 650 ND2 ASN A 39 -12.402 -1.500 -11.647 1.00 0.00 N ATOM 0 H ASN A 39 -10.254 -1.686 -8.726 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.615 -2.059 -10.925 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.841 -0.148 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.956 0.093 -11.724 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.032 -2.169 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.779 -0.668 -11.192 1.00 0.00 H new ATOM 657 N VAL A 40 -8.144 0.833 -9.393 1.00 0.00 N ATOM 658 CA VAL A 40 -7.229 1.953 -9.240 1.00 0.00 C ATOM 659 C VAL A 40 -5.855 1.484 -8.765 1.00 0.00 C ATOM 660 O VAL A 40 -4.833 1.846 -9.349 1.00 0.00 O ATOM 661 CB VAL A 40 -7.780 2.995 -8.242 1.00 0.00 C ATOM 662 CG1 VAL A 40 -6.855 4.199 -8.147 1.00 0.00 C ATOM 663 CG2 VAL A 40 -9.182 3.427 -8.643 1.00 0.00 C ATOM 0 H VAL A 40 -8.950 0.861 -8.768 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.129 2.417 -10.221 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.830 2.529 -7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.265 4.918 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.871 3.876 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.765 4.667 -9.127 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.555 4.161 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.155 3.870 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.842 2.560 -8.649 1.00 0.00 H new ATOM 673 N LEU A 41 -5.847 0.658 -7.726 1.00 0.00 N ATOM 674 CA LEU A 41 -4.605 0.237 -7.079 1.00 0.00 C ATOM 675 C LEU A 41 -3.773 -0.701 -7.950 1.00 0.00 C ATOM 676 O LEU A 41 -2.553 -0.572 -8.004 1.00 0.00 O ATOM 677 CB LEU A 41 -4.903 -0.431 -5.738 1.00 0.00 C ATOM 678 CG LEU A 41 -5.506 0.485 -4.673 1.00 0.00 C ATOM 679 CD1 LEU A 41 -5.689 -0.276 -3.372 1.00 0.00 C ATOM 680 CD2 LEU A 41 -4.629 1.709 -4.454 1.00 0.00 C ATOM 0 H LEU A 41 -6.690 0.263 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.015 1.139 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.587 -1.262 -5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.978 -0.855 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.481 0.825 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.119 0.386 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.357 -1.121 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.722 -0.640 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.078 2.346 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.639 1.393 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.541 2.266 -5.387 1.00 0.00 H new ATOM 692 N SER A 42 -4.417 -1.638 -8.632 1.00 0.00 N ATOM 693 CA SER A 42 -3.693 -2.598 -9.463 1.00 0.00 C ATOM 694 C SER A 42 -3.058 -1.909 -10.672 1.00 0.00 C ATOM 695 O SER A 42 -2.121 -2.430 -11.277 1.00 0.00 O ATOM 696 CB SER A 42 -4.627 -3.722 -9.917 1.00 0.00 C ATOM 697 OG SER A 42 -5.181 -4.406 -8.804 1.00 0.00 O ATOM 0 H SER A 42 -5.430 -1.756 -8.629 1.00 0.00 H new ATOM 0 HA SER A 42 -2.893 -3.030 -8.862 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.428 -3.308 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.078 -4.425 -10.543 1.00 0.00 H new ATOM 0 HG SER A 42 -5.930 -3.888 -8.441 1.00 0.00 H new ATOM 703 N ARG A 43 -3.564 -0.730 -11.011 1.00 0.00 N ATOM 704 CA ARG A 43 -3.008 0.052 -12.108 1.00 0.00 C ATOM 705 C ARG A 43 -2.122 1.167 -11.559 1.00 0.00 C ATOM 706 O ARG A 43 -1.700 2.068 -12.292 1.00 0.00 O ATOM 707 CB ARG A 43 -4.131 0.642 -12.967 1.00 0.00 C ATOM 708 CG ARG A 43 -5.090 -0.402 -13.511 1.00 0.00 C ATOM 709 CD ARG A 43 -6.210 0.232 -14.318 1.00 0.00 C ATOM 710 NE ARG A 43 -5.740 0.783 -15.588 1.00 0.00 N ATOM 711 CZ ARG A 43 -6.545 1.281 -16.524 1.00 0.00 C ATOM 712 NH1 ARG A 43 -7.849 1.386 -16.295 1.00 0.00 N ATOM 713 NH2 ARG A 43 -6.037 1.699 -17.676 1.00 0.00 N ATOM 0 H ARG A 43 -4.358 -0.294 -10.542 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.403 -0.604 -12.733 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.691 1.364 -12.373 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.691 1.189 -13.801 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.544 -1.107 -14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.514 -0.972 -12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.981 -0.514 -14.512 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.673 1.025 -13.731 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.736 0.786 -15.767 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.236 1.085 -15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.464 1.768 -17.014 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.032 1.638 -17.842 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.651 2.081 -18.395 1.00 0.00 H new ATOM 727 N LEU A 44 -1.840 1.093 -10.264 1.00 0.00 N ATOM 728 CA LEU A 44 -1.024 2.088 -9.593 1.00 0.00 C ATOM 729 C LEU A 44 0.255 1.451 -9.058 1.00 0.00 C ATOM 730 O LEU A 44 0.214 0.544 -8.228 1.00 0.00 O ATOM 731 CB LEU A 44 -1.813 2.735 -8.448 1.00 0.00 C ATOM 732 CG LEU A 44 -1.065 3.820 -7.666 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.714 4.993 -8.573 1.00 0.00 C ATOM 734 CD2 LEU A 44 -1.896 4.292 -6.479 1.00 0.00 C ATOM 0 H LEU A 44 -2.170 0.344 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.754 2.861 -10.313 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.725 3.169 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.117 1.953 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.137 3.391 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.184 5.752 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.079 4.646 -9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.628 5.422 -8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.349 5.062 -5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.841 4.701 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.093 3.450 -5.815 1.00 0.00 H new ATOM 746 N TYR A 45 1.388 1.923 -9.543 1.00 0.00 N ATOM 747 CA TYR A 45 2.671 1.408 -9.102 1.00 0.00 C ATOM 748 C TYR A 45 3.381 2.446 -8.248 1.00 0.00 C ATOM 749 O TYR A 45 3.502 3.606 -8.643 1.00 0.00 O ATOM 750 CB TYR A 45 3.535 1.027 -10.307 1.00 0.00 C ATOM 751 CG TYR A 45 2.886 0.000 -11.208 1.00 0.00 C ATOM 752 CD1 TYR A 45 3.030 -1.359 -10.964 1.00 0.00 C ATOM 753 CD2 TYR A 45 2.122 0.393 -12.301 1.00 0.00 C ATOM 754 CE1 TYR A 45 2.432 -2.298 -11.784 1.00 0.00 C ATOM 755 CE2 TYR A 45 1.520 -0.539 -13.122 1.00 0.00 C ATOM 756 CZ TYR A 45 1.678 -1.882 -12.861 1.00 0.00 C ATOM 757 OH TYR A 45 1.076 -2.811 -13.677 1.00 0.00 O ATOM 0 H TYR A 45 1.446 2.663 -10.243 1.00 0.00 H new ATOM 0 HA TYR A 45 2.504 0.514 -8.502 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.752 1.924 -10.887 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.489 0.638 -9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.618 -1.688 -10.120 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.997 1.445 -12.511 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.555 -3.352 -11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.928 -0.216 -13.965 1.00 0.00 H new ATOM 0 HH TYR A 45 0.582 -2.351 -14.387 1.00 0.00 H new ATOM 767 N VAL A 46 3.836 2.032 -7.079 1.00 0.00 N ATOM 768 CA VAL A 46 4.529 2.932 -6.172 1.00 0.00 C ATOM 769 C VAL A 46 6.010 2.571 -6.103 1.00 0.00 C ATOM 770 O VAL A 46 6.370 1.394 -6.117 1.00 0.00 O ATOM 771 CB VAL A 46 3.895 2.902 -4.759 1.00 0.00 C ATOM 772 CG1 VAL A 46 3.974 1.511 -4.147 1.00 0.00 C ATOM 773 CG2 VAL A 46 4.540 3.933 -3.844 1.00 0.00 C ATOM 0 H VAL A 46 3.738 1.077 -6.734 1.00 0.00 H new ATOM 0 HA VAL A 46 4.431 3.946 -6.559 1.00 0.00 H new ATOM 0 HB VAL A 46 2.842 3.161 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.521 1.523 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.440 0.804 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.018 1.208 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.074 3.888 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.605 3.721 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.403 4.929 -4.265 1.00 0.00 H new ATOM 783 N GLY A 47 6.869 3.579 -6.062 1.00 0.00 N ATOM 784 CA GLY A 47 8.293 3.326 -6.035 1.00 0.00 C ATOM 785 C GLY A 47 8.993 4.028 -4.895 1.00 0.00 C ATOM 786 O GLY A 47 9.719 5.002 -5.101 1.00 0.00 O ATOM 0 H GLY A 47 6.606 4.564 -6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.465 2.253 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.732 3.649 -6.979 1.00 0.00 H new ATOM 790 N VAL A 48 8.765 3.537 -3.694 1.00 0.00 N ATOM 791 CA VAL A 48 9.411 4.078 -2.504 1.00 0.00 C ATOM 792 C VAL A 48 9.247 3.126 -1.317 1.00 0.00 C ATOM 793 O VAL A 48 8.134 2.732 -0.975 1.00 0.00 O ATOM 794 CB VAL A 48 8.869 5.489 -2.143 1.00 0.00 C ATOM 795 CG1 VAL A 48 7.360 5.473 -1.929 1.00 0.00 C ATOM 796 CG2 VAL A 48 9.579 6.049 -0.917 1.00 0.00 C ATOM 0 H VAL A 48 8.133 2.758 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 48 10.472 4.179 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 48 9.077 6.143 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.017 6.477 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.867 5.139 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.115 4.792 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.181 7.037 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.417 5.385 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 48 10.647 6.126 -1.119 1.00 0.00 H new ATOM 806 N PRO A 49 10.368 2.699 -0.715 1.00 0.00 N ATOM 807 CA PRO A 49 10.355 1.883 0.501 1.00 0.00 C ATOM 808 C PRO A 49 9.899 2.689 1.714 1.00 0.00 C ATOM 809 O PRO A 49 10.582 3.616 2.154 1.00 0.00 O ATOM 810 CB PRO A 49 11.816 1.440 0.665 1.00 0.00 C ATOM 811 CG PRO A 49 12.479 1.770 -0.632 1.00 0.00 C ATOM 812 CD PRO A 49 11.735 2.950 -1.181 1.00 0.00 C ATOM 0 HA PRO A 49 9.660 1.046 0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.294 1.962 1.494 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.881 0.373 0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.533 2.006 -0.484 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.435 0.925 -1.320 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.128 3.892 -0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.792 2.997 -2.268 1.00 0.00 H new ATOM 820 N THR A 50 8.742 2.333 2.241 1.00 0.00 N ATOM 821 CA THR A 50 8.132 3.078 3.329 1.00 0.00 C ATOM 822 C THR A 50 7.882 2.211 4.558 1.00 0.00 C ATOM 823 O THR A 50 8.013 0.990 4.506 1.00 0.00 O ATOM 824 CB THR A 50 6.798 3.668 2.871 1.00 0.00 C ATOM 825 OG1 THR A 50 6.190 2.798 1.903 1.00 0.00 O ATOM 826 CG2 THR A 50 6.981 5.058 2.284 1.00 0.00 C ATOM 0 H THR A 50 8.201 1.526 1.931 1.00 0.00 H new ATOM 0 HA THR A 50 8.832 3.867 3.604 1.00 0.00 H new ATOM 0 HB THR A 50 6.147 3.756 3.741 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.526 3.299 1.385 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.014 5.450 1.968 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.411 5.718 3.038 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.649 5.005 1.425 1.00 0.00 H new ATOM 834 N LYS A 51 7.513 2.853 5.664 1.00 0.00 N ATOM 835 CA LYS A 51 7.191 2.145 6.895 1.00 0.00 C ATOM 836 C LYS A 51 5.675 2.096 7.100 1.00 0.00 C ATOM 837 O LYS A 51 4.921 2.675 6.318 1.00 0.00 O ATOM 838 CB LYS A 51 7.884 2.809 8.092 1.00 0.00 C ATOM 839 CG LYS A 51 9.404 2.822 7.973 1.00 0.00 C ATOM 840 CD LYS A 51 10.074 3.398 9.213 1.00 0.00 C ATOM 841 CE LYS A 51 9.684 4.850 9.449 1.00 0.00 C ATOM 842 NZ LYS A 51 10.370 5.426 10.637 1.00 0.00 N ATOM 0 H LYS A 51 7.430 3.867 5.730 1.00 0.00 H new ATOM 0 HA LYS A 51 7.558 1.122 6.816 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.525 3.833 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.602 2.284 9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.762 1.806 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.693 3.408 7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.799 2.803 10.084 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.156 3.326 9.107 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.931 5.440 8.566 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.605 4.918 9.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.076 6.416 10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.114 4.880 11.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.400 5.386 10.497 1.00 0.00 H new ATOM 856 N SER A 52 5.235 1.411 8.151 1.00 0.00 N ATOM 857 CA SER A 52 3.808 1.191 8.389 1.00 0.00 C ATOM 858 C SER A 52 3.063 2.510 8.577 1.00 0.00 C ATOM 859 O SER A 52 3.530 3.402 9.288 1.00 0.00 O ATOM 860 CB SER A 52 3.608 0.311 9.625 1.00 0.00 C ATOM 861 OG SER A 52 2.254 -0.086 9.762 1.00 0.00 O ATOM 0 H SER A 52 5.846 0.997 8.855 1.00 0.00 H new ATOM 0 HA SER A 52 3.401 0.689 7.511 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.242 -0.572 9.551 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.921 0.855 10.516 1.00 0.00 H new ATOM 0 HG SER A 52 2.157 -0.648 10.559 1.00 0.00 H new ATOM 867 N GLY A 53 1.908 2.626 7.934 1.00 0.00 N ATOM 868 CA GLY A 53 1.096 3.814 8.083 1.00 0.00 C ATOM 869 C GLY A 53 1.431 4.861 7.047 1.00 0.00 C ATOM 870 O GLY A 53 1.244 6.055 7.280 1.00 0.00 O ATOM 0 H GLY A 53 1.520 1.917 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.043 3.546 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.242 4.230 9.080 1.00 0.00 H new ATOM 874 N ASN A 54 1.932 4.417 5.902 1.00 0.00 N ATOM 875 CA ASN A 54 2.299 5.347 4.834 1.00 0.00 C ATOM 876 C ASN A 54 1.179 5.441 3.810 1.00 0.00 C ATOM 877 O ASN A 54 0.634 4.427 3.385 1.00 0.00 O ATOM 878 CB ASN A 54 3.615 4.933 4.155 1.00 0.00 C ATOM 879 CG ASN A 54 3.500 3.678 3.308 1.00 0.00 C ATOM 880 OD1 ASN A 54 3.170 3.738 2.124 1.00 0.00 O ATOM 881 ND2 ASN A 54 3.809 2.532 3.893 1.00 0.00 N ATOM 0 H ASN A 54 2.093 3.433 5.687 1.00 0.00 H new ATOM 0 HA ASN A 54 2.452 6.329 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.962 5.753 3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.374 4.775 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.778 1.663 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.079 2.518 4.877 1.00 0.00 H new ATOM 888 N VAL A 55 0.827 6.657 3.425 1.00 0.00 N ATOM 889 CA VAL A 55 -0.279 6.863 2.505 1.00 0.00 C ATOM 890 C VAL A 55 0.228 6.926 1.066 1.00 0.00 C ATOM 891 O VAL A 55 1.101 7.733 0.745 1.00 0.00 O ATOM 892 CB VAL A 55 -1.040 8.169 2.812 1.00 0.00 C ATOM 893 CG1 VAL A 55 -2.358 8.199 2.060 1.00 0.00 C ATOM 894 CG2 VAL A 55 -1.264 8.345 4.307 1.00 0.00 C ATOM 0 H VAL A 55 1.289 7.513 3.734 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.957 6.019 2.630 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.427 9.004 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.885 9.126 2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.167 8.142 0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.970 7.350 2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.803 9.275 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.848 7.508 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.302 8.378 4.818 1.00 0.00 H new ATOM 904 N VAL A 56 -0.313 6.079 0.204 1.00 0.00 N ATOM 905 CA VAL A 56 0.050 6.103 -1.208 1.00 0.00 C ATOM 906 C VAL A 56 -0.962 6.902 -2.025 1.00 0.00 C ATOM 907 O VAL A 56 -0.591 7.655 -2.927 1.00 0.00 O ATOM 908 CB VAL A 56 0.189 4.685 -1.805 1.00 0.00 C ATOM 909 CG1 VAL A 56 1.474 4.026 -1.330 1.00 0.00 C ATOM 910 CG2 VAL A 56 -1.013 3.819 -1.451 1.00 0.00 C ATOM 0 H VAL A 56 -1.002 5.369 0.454 1.00 0.00 H new ATOM 0 HA VAL A 56 1.024 6.590 -1.263 1.00 0.00 H new ATOM 0 HB VAL A 56 0.228 4.783 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.552 3.028 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.328 4.626 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.464 3.951 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.887 2.827 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.093 3.734 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.920 4.276 -1.847 1.00 0.00 H new ATOM 920 N CYS A 57 -2.237 6.756 -1.698 1.00 0.00 N ATOM 921 CA CYS A 57 -3.284 7.466 -2.409 1.00 0.00 C ATOM 922 C CYS A 57 -4.168 8.204 -1.414 1.00 0.00 C ATOM 923 O CYS A 57 -4.746 7.597 -0.512 1.00 0.00 O ATOM 924 CB CYS A 57 -4.112 6.496 -3.259 1.00 0.00 C ATOM 925 SG CYS A 57 -5.253 7.306 -4.404 1.00 0.00 S ATOM 0 H CYS A 57 -2.569 6.153 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.828 8.193 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.435 5.859 -3.828 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.681 5.844 -2.596 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.904 6.405 -5.078 1.00 0.00 H new ATOM 931 N LYS A 58 -4.247 9.515 -1.570 1.00 0.00 N ATOM 932 CA LYS A 58 -5.009 10.356 -0.657 1.00 0.00 C ATOM 933 C LYS A 58 -6.294 10.813 -1.327 1.00 0.00 C ATOM 934 O LYS A 58 -6.255 11.325 -2.448 1.00 0.00 O ATOM 935 CB LYS A 58 -4.172 11.571 -0.246 1.00 0.00 C ATOM 936 CG LYS A 58 -2.822 11.205 0.346 1.00 0.00 C ATOM 937 CD LYS A 58 -1.945 12.431 0.531 1.00 0.00 C ATOM 938 CE LYS A 58 -0.559 12.053 1.027 1.00 0.00 C ATOM 939 NZ LYS A 58 -0.579 11.544 2.424 1.00 0.00 N ATOM 0 H LYS A 58 -3.790 10.025 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.259 9.780 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.017 12.207 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.732 12.158 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.967 10.711 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.319 10.491 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.861 12.966 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.414 13.112 1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.136 11.292 0.371 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.095 12.923 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.321 11.067 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.710 12.339 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.362 10.869 2.536 1.00 0.00 H new ATOM 953 N ASN A 59 -7.425 10.620 -0.647 1.00 0.00 N ATOM 954 CA ASN A 59 -8.732 10.995 -1.194 1.00 0.00 C ATOM 955 C ASN A 59 -8.960 10.247 -2.505 1.00 0.00 C ATOM 956 O ASN A 59 -9.330 10.829 -3.525 1.00 0.00 O ATOM 957 CB ASN A 59 -8.797 12.520 -1.402 1.00 0.00 C ATOM 958 CG ASN A 59 -10.208 13.042 -1.602 1.00 0.00 C ATOM 959 OD1 ASN A 59 -10.709 13.112 -2.720 1.00 0.00 O ATOM 960 ND2 ASN A 59 -10.853 13.431 -0.517 1.00 0.00 N ATOM 0 H ASN A 59 -7.463 10.206 0.284 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.521 10.720 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.353 13.016 -0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.193 12.787 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.799 13.804 -0.592 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.405 13.358 0.396 1.00 0.00 H new ATOM 967 N ILE A 60 -8.724 8.941 -2.457 1.00 0.00 N ATOM 968 CA ILE A 60 -8.827 8.087 -3.634 1.00 0.00 C ATOM 969 C ILE A 60 -10.240 8.121 -4.217 1.00 0.00 C ATOM 970 O ILE A 60 -11.224 7.930 -3.497 1.00 0.00 O ATOM 971 CB ILE A 60 -8.421 6.628 -3.303 1.00 0.00 C ATOM 972 CG1 ILE A 60 -8.587 5.727 -4.533 1.00 0.00 C ATOM 973 CG2 ILE A 60 -9.223 6.094 -2.122 1.00 0.00 C ATOM 974 CD1 ILE A 60 -8.124 4.302 -4.313 1.00 0.00 C ATOM 0 H ILE A 60 -8.457 8.446 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.136 8.476 -4.381 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.368 6.624 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -9.637 5.717 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.028 6.156 -5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.919 5.069 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.038 6.716 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.285 6.115 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.273 3.726 -5.226 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.066 4.300 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.700 3.853 -3.503 1.00 0.00 H new ATOM 986 N MET A 61 -10.323 8.412 -5.518 1.00 0.00 N ATOM 987 CA MET A 61 -11.599 8.469 -6.238 1.00 0.00 C ATOM 988 C MET A 61 -12.492 9.580 -5.690 1.00 0.00 C ATOM 989 O MET A 61 -13.706 9.562 -5.888 1.00 0.00 O ATOM 990 CB MET A 61 -12.323 7.116 -6.166 1.00 0.00 C ATOM 991 CG MET A 61 -11.562 5.985 -6.842 1.00 0.00 C ATOM 992 SD MET A 61 -11.375 6.241 -8.617 1.00 0.00 S ATOM 993 CE MET A 61 -13.068 6.016 -9.156 1.00 0.00 C ATOM 0 H MET A 61 -9.511 8.614 -6.101 1.00 0.00 H new ATOM 0 HA MET A 61 -11.383 8.693 -7.283 1.00 0.00 H new ATOM 0 HB2 MET A 61 -12.490 6.857 -5.120 1.00 0.00 H new ATOM 0 HB3 MET A 61 -13.304 7.212 -6.631 1.00 0.00 H new ATOM 0 HG2 MET A 61 -10.576 5.892 -6.386 1.00 0.00 H new ATOM 0 HG3 MET A 61 -12.085 5.045 -6.667 1.00 0.00 H new ATOM 0 HE1 MET A 61 -13.077 5.634 -10.177 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.568 5.306 -8.498 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.591 6.972 -9.122 1.00 0.00 H new ATOM 1003 N ASN A 62 -11.867 10.557 -5.031 1.00 0.00 N ATOM 1004 CA ASN A 62 -12.578 11.657 -4.378 1.00 0.00 C ATOM 1005 C ASN A 62 -13.565 11.117 -3.349 1.00 0.00 C ATOM 1006 O ASN A 62 -14.764 11.005 -3.609 1.00 0.00 O ATOM 1007 CB ASN A 62 -13.295 12.554 -5.395 1.00 0.00 C ATOM 1008 CG ASN A 62 -13.920 13.785 -4.750 1.00 0.00 C ATOM 1009 OD1 ASN A 62 -14.974 14.257 -5.180 1.00 0.00 O ATOM 1010 ND2 ASN A 62 -13.265 14.328 -3.733 1.00 0.00 N ATOM 0 H ASN A 62 -10.853 10.608 -4.935 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.837 12.271 -3.866 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -12.585 12.869 -6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.071 11.978 -5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.631 15.165 -3.279 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.395 13.909 -3.405 1.00 0.00 H new ATOM 1017 N THR A 63 -13.041 10.758 -2.187 1.00 0.00 N ATOM 1018 CA THR A 63 -13.846 10.152 -1.138 1.00 0.00 C ATOM 1019 C THR A 63 -13.474 10.711 0.230 1.00 0.00 C ATOM 1020 O THR A 63 -14.323 11.221 0.964 1.00 0.00 O ATOM 1021 CB THR A 63 -13.650 8.622 -1.110 1.00 0.00 C ATOM 1022 OG1 THR A 63 -12.249 8.311 -1.021 1.00 0.00 O ATOM 1023 CG2 THR A 63 -14.236 7.970 -2.348 1.00 0.00 C ATOM 0 H THR A 63 -12.057 10.877 -1.946 1.00 0.00 H new ATOM 0 HA THR A 63 -14.888 10.387 -1.357 1.00 0.00 H new ATOM 0 HB THR A 63 -14.171 8.231 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.873 8.236 -1.923 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.082 6.892 -2.299 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.304 8.182 -2.400 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.744 8.367 -3.236 1.00 0.00 H new ATOM 1031 N GLY A 64 -12.197 10.603 0.560 1.00 0.00 N ATOM 1032 CA GLY A 64 -11.723 10.999 1.864 1.00 0.00 C ATOM 1033 C GLY A 64 -10.904 9.897 2.492 1.00 0.00 C ATOM 1034 O GLY A 64 -10.267 10.092 3.523 1.00 0.00 O ATOM 0 H GLY A 64 -11.474 10.243 -0.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.120 11.903 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.570 11.241 2.506 1.00 0.00 H new ATOM 1038 N VAL A 65 -10.925 8.729 1.858 1.00 0.00 N ATOM 1039 CA VAL A 65 -10.157 7.589 2.328 1.00 0.00 C ATOM 1040 C VAL A 65 -8.699 7.714 1.904 1.00 0.00 C ATOM 1041 O VAL A 65 -8.396 8.014 0.744 1.00 0.00 O ATOM 1042 CB VAL A 65 -10.735 6.257 1.799 1.00 0.00 C ATOM 1043 CG1 VAL A 65 -9.866 5.079 2.215 1.00 0.00 C ATOM 1044 CG2 VAL A 65 -12.156 6.057 2.292 1.00 0.00 C ATOM 0 H VAL A 65 -11.469 8.550 1.014 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.220 7.583 3.416 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.745 6.308 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.297 4.155 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.862 5.207 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.817 5.030 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.545 5.114 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.164 6.036 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.782 6.877 1.940 1.00 0.00 H new ATOM 1054 N ASP A 66 -7.812 7.499 2.858 1.00 0.00 N ATOM 1055 CA ASP A 66 -6.386 7.503 2.604 1.00 0.00 C ATOM 1056 C ASP A 66 -5.884 6.067 2.560 1.00 0.00 C ATOM 1057 O ASP A 66 -5.945 5.350 3.562 1.00 0.00 O ATOM 1058 CB ASP A 66 -5.638 8.283 3.694 1.00 0.00 C ATOM 1059 CG ASP A 66 -6.085 9.729 3.802 1.00 0.00 C ATOM 1060 OD1 ASP A 66 -5.638 10.561 2.979 1.00 0.00 O ATOM 1061 OD2 ASP A 66 -6.878 10.043 4.714 1.00 0.00 O ATOM 0 H ASP A 66 -8.061 7.317 3.830 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.199 7.992 1.648 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.789 7.789 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.569 8.254 3.485 1.00 0.00 H new ATOM 1066 N ILE A 67 -5.421 5.638 1.397 1.00 0.00 N ATOM 1067 CA ILE A 67 -4.928 4.279 1.236 1.00 0.00 C ATOM 1068 C ILE A 67 -3.512 4.176 1.777 1.00 0.00 C ATOM 1069 O ILE A 67 -2.584 4.796 1.244 1.00 0.00 O ATOM 1070 CB ILE A 67 -4.965 3.823 -0.239 1.00 0.00 C ATOM 1071 CG1 ILE A 67 -6.391 3.929 -0.791 1.00 0.00 C ATOM 1072 CG2 ILE A 67 -4.448 2.396 -0.370 1.00 0.00 C ATOM 1073 CD1 ILE A 67 -7.414 3.130 -0.007 1.00 0.00 C ATOM 0 H ILE A 67 -5.376 6.209 0.553 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.586 3.619 1.801 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.316 4.478 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -6.691 4.977 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.395 3.589 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.481 2.092 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.420 2.347 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.072 1.727 0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.398 3.256 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.140 2.075 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.440 3.484 1.024 1.00 0.00 H new ATOM 1085 N ILE A 68 -3.354 3.409 2.843 1.00 0.00 N ATOM 1086 CA ILE A 68 -2.085 3.331 3.547 1.00 0.00 C ATOM 1087 C ILE A 68 -1.509 1.925 3.528 1.00 0.00 C ATOM 1088 O ILE A 68 -2.230 0.939 3.652 1.00 0.00 O ATOM 1089 CB ILE A 68 -2.226 3.798 5.011 1.00 0.00 C ATOM 1090 CG1 ILE A 68 -3.330 3.016 5.726 1.00 0.00 C ATOM 1091 CG2 ILE A 68 -2.512 5.290 5.068 1.00 0.00 C ATOM 1092 CD1 ILE A 68 -3.532 3.437 7.163 1.00 0.00 C ATOM 0 H ILE A 68 -4.093 2.829 3.241 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.401 3.996 3.019 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.283 3.605 5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.266 3.145 5.183 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.089 1.953 5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.609 5.603 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.693 5.836 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.440 5.503 4.537 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.329 2.842 7.608 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.609 3.282 7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.804 4.492 7.198 1.00 0.00 H new ATOM 1104 N CYS A 69 -0.205 1.841 3.368 1.00 0.00 N ATOM 1105 CA CYS A 69 0.487 0.569 3.428 1.00 0.00 C ATOM 1106 C CYS A 69 0.955 0.330 4.857 1.00 0.00 C ATOM 1107 O CYS A 69 1.304 1.278 5.564 1.00 0.00 O ATOM 1108 CB CYS A 69 1.678 0.566 2.479 1.00 0.00 C ATOM 1109 SG CYS A 69 1.436 1.556 0.990 1.00 0.00 S ATOM 0 H CYS A 69 0.401 2.643 3.194 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.192 -0.228 3.124 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.554 0.938 3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 69 1.894 -0.462 2.188 1.00 0.00 H new ATOM 0 HG CYS A 69 2.134 2.649 1.077 1.00 0.00 H new ATOM 1115 N THR A 70 0.969 -0.918 5.287 1.00 0.00 N ATOM 1116 CA THR A 70 1.243 -1.218 6.682 1.00 0.00 C ATOM 1117 C THR A 70 2.492 -2.092 6.853 1.00 0.00 C ATOM 1118 O THR A 70 2.774 -2.591 7.943 1.00 0.00 O ATOM 1119 CB THR A 70 0.009 -1.899 7.333 1.00 0.00 C ATOM 1120 OG1 THR A 70 0.226 -2.130 8.732 1.00 0.00 O ATOM 1121 CG2 THR A 70 -0.317 -3.217 6.635 1.00 0.00 C ATOM 0 H THR A 70 0.796 -1.733 4.699 1.00 0.00 H new ATOM 0 HA THR A 70 1.442 -0.273 7.188 1.00 0.00 H new ATOM 0 HB THR A 70 -0.838 -1.222 7.219 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.167 -2.360 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.185 -3.675 7.109 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.535 -3.028 5.584 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.536 -3.891 6.713 1.00 0.00 H new ATOM 1129 N LYS A 71 3.260 -2.258 5.786 1.00 0.00 N ATOM 1130 CA LYS A 71 4.521 -2.985 5.873 1.00 0.00 C ATOM 1131 C LYS A 71 5.667 -2.011 6.047 1.00 0.00 C ATOM 1132 O LYS A 71 5.558 -0.843 5.672 1.00 0.00 O ATOM 1133 CB LYS A 71 4.777 -3.822 4.619 1.00 0.00 C ATOM 1134 CG LYS A 71 3.919 -5.070 4.506 1.00 0.00 C ATOM 1135 CD LYS A 71 4.347 -6.142 5.493 1.00 0.00 C ATOM 1136 CE LYS A 71 3.690 -7.473 5.175 1.00 0.00 C ATOM 1137 NZ LYS A 71 4.079 -8.542 6.136 1.00 0.00 N ATOM 0 H LYS A 71 3.036 -1.903 4.856 1.00 0.00 H new ATOM 0 HA LYS A 71 4.454 -3.653 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.606 -3.199 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.827 -4.116 4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.875 -4.810 4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.983 -5.464 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.431 -6.253 5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.083 -5.835 6.505 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.607 -7.353 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.964 -7.778 4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.262 -9.159 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.855 -9.105 5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.393 -8.109 7.028 1.00 0.00 H new ATOM 1151 N ASN A 72 6.753 -2.481 6.629 1.00 0.00 N ATOM 1152 CA ASN A 72 7.938 -1.658 6.794 1.00 0.00 C ATOM 1153 C ASN A 72 9.004 -2.117 5.813 1.00 0.00 C ATOM 1154 O ASN A 72 9.611 -3.174 5.992 1.00 0.00 O ATOM 1155 CB ASN A 72 8.482 -1.723 8.232 1.00 0.00 C ATOM 1156 CG ASN A 72 7.528 -1.163 9.283 1.00 0.00 C ATOM 1157 OD1 ASN A 72 6.238 -1.427 9.132 1.00 0.00 O flip ATOM 1158 ND2 ASN A 72 7.955 -0.518 10.241 1.00 0.00 N flip ATOM 0 H ASN A 72 6.841 -3.429 6.996 1.00 0.00 H new ATOM 0 HA ASN A 72 7.666 -0.621 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.708 -2.761 8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.422 -1.173 8.279 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.954 -0.333 10.326 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.309 -0.169 10.949 1.00 0.00 H new ATOM 1165 N LEU A 73 9.201 -1.342 4.758 1.00 0.00 N ATOM 1166 CA LEU A 73 10.175 -1.694 3.736 1.00 0.00 C ATOM 1167 C LEU A 73 11.562 -1.177 4.109 1.00 0.00 C ATOM 1168 O LEU A 73 11.719 -0.021 4.505 1.00 0.00 O ATOM 1169 CB LEU A 73 9.757 -1.145 2.366 1.00 0.00 C ATOM 1170 CG LEU A 73 8.733 -1.986 1.590 1.00 0.00 C ATOM 1171 CD1 LEU A 73 7.399 -2.053 2.323 1.00 0.00 C ATOM 1172 CD2 LEU A 73 8.542 -1.419 0.192 1.00 0.00 C ATOM 0 H LEU A 73 8.702 -0.469 4.587 1.00 0.00 H new ATOM 0 HA LEU A 73 10.214 -2.782 3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.345 -0.146 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.651 -1.038 1.751 1.00 0.00 H new ATOM 0 HG LEU A 73 9.120 -3.002 1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.697 -2.656 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.545 -2.505 3.304 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.999 -1.046 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.814 -2.023 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.182 -0.393 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.493 -1.434 -0.340 1.00 0.00 H new ATOM 1184 N PRO A 74 12.583 -2.040 4.006 1.00 0.00 N ATOM 1185 CA PRO A 74 13.965 -1.659 4.295 1.00 0.00 C ATOM 1186 C PRO A 74 14.526 -0.705 3.248 1.00 0.00 C ATOM 1187 O PRO A 74 14.806 -1.102 2.116 1.00 0.00 O ATOM 1188 CB PRO A 74 14.721 -2.990 4.272 1.00 0.00 C ATOM 1189 CG PRO A 74 13.893 -3.892 3.424 1.00 0.00 C ATOM 1190 CD PRO A 74 12.467 -3.454 3.613 1.00 0.00 C ATOM 0 HA PRO A 74 14.052 -1.128 5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 74 15.722 -2.868 3.857 1.00 0.00 H new ATOM 0 HB3 PRO A 74 14.840 -3.393 5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 74 14.187 -3.820 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 74 14.023 -4.933 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.889 -3.568 2.696 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.966 -4.043 4.381 1.00 0.00 H new