USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 881 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 117 ASN : amide:sc= -0.835 K(o=-0.96,f=-4.8!) USER MOD Set 1.2: A 119 GLN : amide:sc= -0.127 K(o=-0.96,f=-3!) USER MOD Set 2.1: A 55 SER OG : rot 162:sc= 1.18 USER MOD Set 2.2: A 58 HIS :FLIP no HD1:sc= -7.64! C(o=-8.6!,f=-6.4!) USER MOD Set 2.3: A 64 SER OG : rot -89:sc= 0.0327 USER MOD Single : A 7 SER OG : rot 27:sc= 0.487 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 37:sc= 1.27 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 45 SER OG : rot 56:sc= 0.224 USER MOD Single : A 53 ASN : amide:sc= 0.616 K(o=0.62,f=-2) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.369 X(o=-0.37,f=-0.069) USER MOD Single : A 74 SER OG : rot 180:sc= -1.7! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 153:sc= -3.12 (180deg=-6.82!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.0019) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -2.29 F(o=-4.2!,f=-2.3) USER MOD Single : A 94 SER OG : rot -89:sc= 0.671 USER MOD Single : A 102 HIS :FLIP no HD1:sc= -1.72 F(o=-3.6!,f=-1.7) USER MOD Single : A 107 GLN :FLIP amide:sc= -1.74 F(o=-3!,f=-1.7) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 113 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.6!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 CYS SG : rot 2:sc= 0.152 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 6 14.591 -8.269 -25.774 1.00 0.00 N ATOM 2 CA GLY A 6 15.488 -7.923 -24.685 1.00 0.00 C ATOM 3 C GLY A 6 14.703 -7.480 -23.448 1.00 0.00 C ATOM 4 O GLY A 6 13.474 -7.446 -23.468 1.00 0.00 O ATOM 0 HA2 GLY A 6 16.112 -8.782 -24.436 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.158 -7.123 -25.001 1.00 0.00 H new ATOM 8 N SER A 7 15.446 -7.151 -22.402 1.00 0.00 N ATOM 9 CA SER A 7 14.835 -6.711 -21.159 1.00 0.00 C ATOM 10 C SER A 7 15.823 -5.852 -20.366 1.00 0.00 C ATOM 11 O SER A 7 15.540 -4.694 -20.065 1.00 0.00 O ATOM 12 CB SER A 7 14.376 -7.904 -20.319 1.00 0.00 C ATOM 13 OG SER A 7 13.095 -8.380 -20.723 1.00 0.00 O ATOM 0 H SER A 7 16.466 -7.180 -22.389 1.00 0.00 H new ATOM 0 HA SER A 7 13.957 -6.113 -21.402 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.105 -8.709 -20.404 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.341 -7.616 -19.268 1.00 0.00 H new ATOM 0 HG SER A 7 12.949 -8.165 -21.668 1.00 0.00 H new ATOM 19 N SER A 8 16.960 -6.454 -20.050 1.00 0.00 N ATOM 20 CA SER A 8 17.991 -5.759 -19.298 1.00 0.00 C ATOM 21 C SER A 8 17.497 -5.468 -17.879 1.00 0.00 C ATOM 22 O SER A 8 16.294 -5.483 -17.622 1.00 0.00 O ATOM 23 CB SER A 8 18.399 -4.459 -19.994 1.00 0.00 C ATOM 24 OG SER A 8 19.815 -4.329 -20.093 1.00 0.00 O ATOM 0 H SER A 8 17.190 -7.415 -20.301 1.00 0.00 H new ATOM 0 HA SER A 8 18.869 -6.403 -19.246 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.961 -4.429 -20.992 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.994 -3.610 -19.443 1.00 0.00 H new ATOM 0 HG SER A 8 20.035 -3.488 -20.545 1.00 0.00 H new ATOM 30 N GLY A 9 18.450 -5.210 -16.996 1.00 0.00 N ATOM 31 CA GLY A 9 18.127 -4.916 -15.610 1.00 0.00 C ATOM 32 C GLY A 9 19.333 -4.321 -14.880 1.00 0.00 C ATOM 33 O GLY A 9 20.441 -4.847 -14.974 1.00 0.00 O ATOM 0 H GLY A 9 19.447 -5.198 -17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.291 -4.218 -15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 9 17.806 -5.828 -15.106 1.00 0.00 H new ATOM 37 N SER A 10 19.077 -3.233 -14.170 1.00 0.00 N ATOM 38 CA SER A 10 20.127 -2.561 -13.424 1.00 0.00 C ATOM 39 C SER A 10 19.518 -1.513 -12.491 1.00 0.00 C ATOM 40 O SER A 10 18.762 -0.649 -12.932 1.00 0.00 O ATOM 41 CB SER A 10 21.141 -1.909 -14.367 1.00 0.00 C ATOM 42 OG SER A 10 22.144 -2.827 -14.790 1.00 0.00 O ATOM 0 H SER A 10 18.157 -2.799 -14.095 1.00 0.00 H new ATOM 0 HA SER A 10 20.653 -3.306 -12.827 1.00 0.00 H new ATOM 0 HB2 SER A 10 20.622 -1.512 -15.239 1.00 0.00 H new ATOM 0 HB3 SER A 10 21.612 -1.064 -13.865 1.00 0.00 H new ATOM 0 HG SER A 10 21.744 -3.712 -14.918 1.00 0.00 H new ATOM 48 N SER A 11 19.871 -1.623 -11.219 1.00 0.00 N ATOM 49 CA SER A 11 19.369 -0.695 -10.220 1.00 0.00 C ATOM 50 C SER A 11 20.500 -0.278 -9.278 1.00 0.00 C ATOM 51 O SER A 11 21.468 -1.015 -9.099 1.00 0.00 O ATOM 52 CB SER A 11 18.216 -1.311 -9.426 1.00 0.00 C ATOM 53 OG SER A 11 17.150 -0.386 -9.226 1.00 0.00 O ATOM 0 H SER A 11 20.499 -2.341 -10.857 1.00 0.00 H new ATOM 0 HA SER A 11 18.989 0.188 -10.734 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.841 -2.188 -9.953 1.00 0.00 H new ATOM 0 HB3 SER A 11 18.584 -1.654 -8.459 1.00 0.00 H new ATOM 0 HG SER A 11 16.433 -0.818 -8.717 1.00 0.00 H new ATOM 59 N GLY A 12 20.339 0.903 -8.699 1.00 0.00 N ATOM 60 CA GLY A 12 21.335 1.427 -7.779 1.00 0.00 C ATOM 61 C GLY A 12 20.677 2.252 -6.671 1.00 0.00 C ATOM 62 O GLY A 12 21.033 3.410 -6.459 1.00 0.00 O ATOM 0 H GLY A 12 19.534 1.512 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 12 21.898 0.604 -7.339 1.00 0.00 H new ATOM 0 HA3 GLY A 12 22.048 2.046 -8.323 1.00 0.00 H new ATOM 66 N MET A 13 19.729 1.623 -5.993 1.00 0.00 N ATOM 67 CA MET A 13 19.018 2.284 -4.911 1.00 0.00 C ATOM 68 C MET A 13 18.965 1.396 -3.666 1.00 0.00 C ATOM 69 O MET A 13 19.005 0.171 -3.771 1.00 0.00 O ATOM 70 CB MET A 13 17.594 2.615 -5.363 1.00 0.00 C ATOM 71 CG MET A 13 17.506 4.048 -5.893 1.00 0.00 C ATOM 72 SD MET A 13 16.272 4.148 -7.179 1.00 0.00 S ATOM 73 CE MET A 13 17.293 4.667 -8.548 1.00 0.00 C ATOM 0 H MET A 13 19.436 0.662 -6.172 1.00 0.00 H new ATOM 0 HA MET A 13 19.551 3.201 -4.658 1.00 0.00 H new ATOM 0 HB2 MET A 13 17.284 1.916 -6.140 1.00 0.00 H new ATOM 0 HB3 MET A 13 16.905 2.489 -4.528 1.00 0.00 H new ATOM 0 HG2 MET A 13 17.253 4.730 -5.081 1.00 0.00 H new ATOM 0 HG3 MET A 13 18.475 4.361 -6.282 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.676 4.779 -9.440 1.00 0.00 H new ATOM 0 HE2 MET A 13 17.763 5.621 -8.310 1.00 0.00 H new ATOM 0 HE3 MET A 13 18.064 3.918 -8.731 1.00 0.00 H new ATOM 83 N ALA A 14 18.877 2.049 -2.517 1.00 0.00 N ATOM 84 CA ALA A 14 18.818 1.334 -1.253 1.00 0.00 C ATOM 85 C ALA A 14 18.323 2.282 -0.159 1.00 0.00 C ATOM 86 O ALA A 14 19.037 3.199 0.243 1.00 0.00 O ATOM 87 CB ALA A 14 20.194 0.745 -0.935 1.00 0.00 C ATOM 0 H ALA A 14 18.845 3.065 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 14 18.114 0.504 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.150 0.209 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 14 20.487 0.057 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 14 20.926 1.549 -0.863 1.00 0.00 H new ATOM 93 N THR A 15 17.103 2.027 0.293 1.00 0.00 N ATOM 94 CA THR A 15 16.504 2.846 1.333 1.00 0.00 C ATOM 95 C THR A 15 17.440 2.946 2.539 1.00 0.00 C ATOM 96 O THR A 15 18.142 1.990 2.865 1.00 0.00 O ATOM 97 CB THR A 15 15.136 2.252 1.673 1.00 0.00 C ATOM 98 OG1 THR A 15 14.568 3.188 2.585 1.00 0.00 O ATOM 99 CG2 THR A 15 15.244 0.959 2.484 1.00 0.00 C ATOM 0 H THR A 15 16.514 1.265 -0.042 1.00 0.00 H new ATOM 0 HA THR A 15 16.354 3.870 0.992 1.00 0.00 H new ATOM 0 HB THR A 15 14.586 2.058 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.678 2.881 2.856 1.00 0.00 H new ATOM 0 HG21 THR A 15 14.245 0.579 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 15 15.799 0.216 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 15 15.765 1.159 3.420 1.00 0.00 H new ATOM 107 N ARG A 16 17.420 4.111 3.169 1.00 0.00 N ATOM 108 CA ARG A 16 18.258 4.348 4.332 1.00 0.00 C ATOM 109 C ARG A 16 17.521 3.940 5.609 1.00 0.00 C ATOM 110 O ARG A 16 16.295 3.839 5.617 1.00 0.00 O ATOM 111 CB ARG A 16 18.659 5.821 4.431 1.00 0.00 C ATOM 112 CG ARG A 16 17.441 6.703 4.716 1.00 0.00 C ATOM 113 CD ARG A 16 17.097 7.571 3.504 1.00 0.00 C ATOM 114 NE ARG A 16 17.454 8.981 3.774 1.00 0.00 N ATOM 115 CZ ARG A 16 17.273 9.982 2.902 1.00 0.00 C ATOM 116 NH1 ARG A 16 16.738 9.734 1.699 1.00 0.00 N ATOM 117 NH2 ARG A 16 17.627 11.232 3.233 1.00 0.00 N ATOM 0 H ARG A 16 16.836 4.902 2.896 1.00 0.00 H new ATOM 0 HA ARG A 16 19.159 3.745 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 16 19.398 5.948 5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 16 19.131 6.136 3.501 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.587 6.077 4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 16 17.642 7.339 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.634 7.213 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 16 16.033 7.493 3.281 1.00 0.00 H new ATOM 0 HE ARG A 16 17.864 9.205 4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.468 8.783 1.447 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.600 10.496 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 16 18.034 11.421 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 16 17.489 11.994 2.569 1.00 0.00 H new ATOM 131 N SER A 17 18.300 3.715 6.657 1.00 0.00 N ATOM 132 CA SER A 17 17.737 3.320 7.937 1.00 0.00 C ATOM 133 C SER A 17 16.773 4.397 8.439 1.00 0.00 C ATOM 134 O SER A 17 17.032 5.589 8.280 1.00 0.00 O ATOM 135 CB SER A 17 18.838 3.069 8.969 1.00 0.00 C ATOM 136 OG SER A 17 19.348 4.284 9.511 1.00 0.00 O ATOM 0 H SER A 17 19.316 3.799 6.646 1.00 0.00 H new ATOM 0 HA SER A 17 17.189 2.388 7.797 1.00 0.00 H new ATOM 0 HB2 SER A 17 18.445 2.449 9.775 1.00 0.00 H new ATOM 0 HB3 SER A 17 19.650 2.510 8.504 1.00 0.00 H new ATOM 0 HG SER A 17 20.047 4.081 10.167 1.00 0.00 H new ATOM 142 N CYS A 18 15.683 3.938 9.036 1.00 0.00 N ATOM 143 CA CYS A 18 14.679 4.847 9.563 1.00 0.00 C ATOM 144 C CYS A 18 14.004 4.176 10.760 1.00 0.00 C ATOM 145 O CYS A 18 13.405 3.110 10.622 1.00 0.00 O ATOM 146 CB CYS A 18 13.667 5.255 8.491 1.00 0.00 C ATOM 147 SG CYS A 18 13.357 7.057 8.576 1.00 0.00 S ATOM 0 H CYS A 18 15.473 2.948 9.167 1.00 0.00 H new ATOM 0 HA CYS A 18 15.157 5.771 9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.044 4.989 7.503 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.734 4.710 8.634 1.00 0.00 H new ATOM 0 HG CYS A 18 12.498 7.393 7.660 1.00 0.00 H new ATOM 153 N VAL A 19 14.122 4.827 11.908 1.00 0.00 N ATOM 154 CA VAL A 19 13.530 4.306 13.128 1.00 0.00 C ATOM 155 C VAL A 19 12.011 4.481 13.068 1.00 0.00 C ATOM 156 O VAL A 19 11.463 5.388 13.692 1.00 0.00 O ATOM 157 CB VAL A 19 14.162 4.981 14.346 1.00 0.00 C ATOM 158 CG1 VAL A 19 15.581 4.462 14.586 1.00 0.00 C ATOM 159 CG2 VAL A 19 14.154 6.504 14.195 1.00 0.00 C ATOM 0 H VAL A 19 14.619 5.711 12.019 1.00 0.00 H new ATOM 0 HA VAL A 19 13.731 3.239 13.224 1.00 0.00 H new ATOM 0 HB VAL A 19 13.560 4.727 15.219 1.00 0.00 H new ATOM 0 HG11 VAL A 19 16.007 4.958 15.458 1.00 0.00 H new ATOM 0 HG12 VAL A 19 15.550 3.386 14.760 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.198 4.671 13.712 1.00 0.00 H new ATOM 0 HG21 VAL A 19 14.609 6.959 15.075 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.721 6.785 13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.127 6.854 14.096 1.00 0.00 H new ATOM 169 N SER A 20 11.375 3.599 12.312 1.00 0.00 N ATOM 170 CA SER A 20 9.930 3.646 12.162 1.00 0.00 C ATOM 171 C SER A 20 9.269 3.843 13.528 1.00 0.00 C ATOM 172 O SER A 20 9.412 3.005 14.418 1.00 0.00 O ATOM 173 CB SER A 20 9.404 2.372 11.497 1.00 0.00 C ATOM 174 OG SER A 20 8.299 2.637 10.637 1.00 0.00 O ATOM 0 H SER A 20 11.833 2.848 11.797 1.00 0.00 H new ATOM 0 HA SER A 20 9.680 4.490 11.519 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.205 1.904 10.925 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.103 1.660 12.265 1.00 0.00 H new ATOM 0 HG SER A 20 7.993 1.800 10.230 1.00 0.00 H new ATOM 180 N ARG A 21 8.559 4.955 13.651 1.00 0.00 N ATOM 181 CA ARG A 21 7.875 5.272 14.893 1.00 0.00 C ATOM 182 C ARG A 21 6.662 6.163 14.618 1.00 0.00 C ATOM 183 O ARG A 21 6.507 6.684 13.515 1.00 0.00 O ATOM 184 CB ARG A 21 8.812 5.985 15.870 1.00 0.00 C ATOM 185 CG ARG A 21 9.484 4.985 16.814 1.00 0.00 C ATOM 186 CD ARG A 21 9.101 5.261 18.269 1.00 0.00 C ATOM 187 NE ARG A 21 8.261 4.160 18.789 1.00 0.00 N ATOM 188 CZ ARG A 21 7.889 4.039 20.071 1.00 0.00 C ATOM 189 NH1 ARG A 21 8.281 4.951 20.971 1.00 0.00 N ATOM 190 NH2 ARG A 21 7.126 3.006 20.453 1.00 0.00 N ATOM 0 H ARG A 21 8.443 5.647 12.911 1.00 0.00 H new ATOM 0 HA ARG A 21 7.547 4.334 15.341 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.573 6.534 15.315 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.250 6.717 16.450 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.191 3.971 16.543 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.567 5.045 16.702 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.000 5.362 18.877 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.561 6.205 18.339 1.00 0.00 H new ATOM 0 HE ARG A 21 7.945 3.448 18.130 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.862 5.737 20.680 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.998 4.859 21.947 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.828 2.311 19.768 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.843 2.914 21.429 1.00 0.00 H new ATOM 204 N GLY A 22 5.833 6.311 15.641 1.00 0.00 N ATOM 205 CA GLY A 22 4.638 7.130 15.523 1.00 0.00 C ATOM 206 C GLY A 22 3.515 6.363 14.823 1.00 0.00 C ATOM 207 O GLY A 22 3.700 5.854 13.719 1.00 0.00 O ATOM 0 H GLY A 22 5.965 5.878 16.555 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.307 7.442 16.514 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.868 8.037 14.963 1.00 0.00 H new ATOM 211 N SER A 23 2.374 6.304 15.495 1.00 0.00 N ATOM 212 CA SER A 23 1.220 5.608 14.951 1.00 0.00 C ATOM 213 C SER A 23 -0.003 6.527 14.970 1.00 0.00 C ATOM 214 O SER A 23 -0.391 7.026 16.025 1.00 0.00 O ATOM 215 CB SER A 23 0.932 4.324 15.732 1.00 0.00 C ATOM 216 OG SER A 23 1.987 3.374 15.606 1.00 0.00 O ATOM 0 H SER A 23 2.224 6.727 16.411 1.00 0.00 H new ATOM 0 HA SER A 23 1.442 5.332 13.920 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.785 4.565 16.785 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.002 3.883 15.374 1.00 0.00 H new ATOM 0 HG SER A 23 1.766 2.569 16.120 1.00 0.00 H new ATOM 222 N ALA A 24 -0.575 6.722 13.792 1.00 0.00 N ATOM 223 CA ALA A 24 -1.746 7.572 13.660 1.00 0.00 C ATOM 224 C ALA A 24 -2.160 7.639 12.189 1.00 0.00 C ATOM 225 O ALA A 24 -1.340 7.936 11.322 1.00 0.00 O ATOM 226 CB ALA A 24 -1.442 8.954 14.243 1.00 0.00 C ATOM 0 H ALA A 24 -0.250 6.306 12.919 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.585 7.158 14.220 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.320 9.592 14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.182 8.855 15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.607 9.401 13.704 1.00 0.00 H new ATOM 232 N GLY A 25 -3.433 7.357 11.952 1.00 0.00 N ATOM 233 CA GLY A 25 -3.966 7.382 10.601 1.00 0.00 C ATOM 234 C GLY A 25 -5.466 7.079 10.597 1.00 0.00 C ATOM 235 O GLY A 25 -5.960 6.362 11.465 1.00 0.00 O ATOM 0 H GLY A 25 -4.111 7.110 12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.788 8.360 10.154 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.442 6.650 9.986 1.00 0.00 H new ATOM 239 N SER A 26 -6.148 7.642 9.610 1.00 0.00 N ATOM 240 CA SER A 26 -7.582 7.442 9.482 1.00 0.00 C ATOM 241 C SER A 26 -8.111 8.209 8.269 1.00 0.00 C ATOM 242 O SER A 26 -8.476 9.378 8.380 1.00 0.00 O ATOM 243 CB SER A 26 -8.315 7.883 10.751 1.00 0.00 C ATOM 244 OG SER A 26 -9.729 7.885 10.577 1.00 0.00 O ATOM 0 H SER A 26 -5.734 8.236 8.892 1.00 0.00 H new ATOM 0 HA SER A 26 -7.768 6.377 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.052 7.216 11.572 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.983 8.882 11.033 1.00 0.00 H new ATOM 0 HG SER A 26 -10.161 8.171 11.409 1.00 0.00 H new ATOM 250 N ALA A 27 -8.136 7.519 7.138 1.00 0.00 N ATOM 251 CA ALA A 27 -8.614 8.121 5.905 1.00 0.00 C ATOM 252 C ALA A 27 -8.830 7.026 4.858 1.00 0.00 C ATOM 253 O ALA A 27 -8.595 5.849 5.129 1.00 0.00 O ATOM 254 CB ALA A 27 -7.621 9.187 5.438 1.00 0.00 C ATOM 0 H ALA A 27 -7.833 6.549 7.050 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.571 8.616 6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.980 9.638 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.526 9.956 6.204 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.648 8.727 5.264 1.00 0.00 H new ATOM 260 N ALA A 28 -9.274 7.452 3.685 1.00 0.00 N ATOM 261 CA ALA A 28 -9.524 6.523 2.597 1.00 0.00 C ATOM 262 C ALA A 28 -8.309 6.493 1.668 1.00 0.00 C ATOM 263 O ALA A 28 -7.541 7.452 1.614 1.00 0.00 O ATOM 264 CB ALA A 28 -10.807 6.925 1.866 1.00 0.00 C ATOM 0 H ALA A 28 -9.467 8.429 3.464 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.670 5.513 2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.994 6.228 1.050 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.645 6.902 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.697 7.932 1.465 1.00 0.00 H new ATOM 270 N ALA A 29 -8.173 5.382 0.959 1.00 0.00 N ATOM 271 CA ALA A 29 -7.064 5.215 0.035 1.00 0.00 C ATOM 272 C ALA A 29 -7.216 6.204 -1.122 1.00 0.00 C ATOM 273 O ALA A 29 -8.076 7.084 -1.082 1.00 0.00 O ATOM 274 CB ALA A 29 -7.012 3.763 -0.443 1.00 0.00 C ATOM 0 H ALA A 29 -8.812 4.589 1.006 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.117 5.430 0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.180 3.638 -1.136 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.874 3.103 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.945 3.512 -0.947 1.00 0.00 H new ATOM 280 N GLY A 30 -6.369 6.028 -2.125 1.00 0.00 N ATOM 281 CA GLY A 30 -6.399 6.894 -3.291 1.00 0.00 C ATOM 282 C GLY A 30 -6.004 6.126 -4.555 1.00 0.00 C ATOM 283 O GLY A 30 -5.950 4.898 -4.548 1.00 0.00 O ATOM 0 H GLY A 30 -5.657 5.298 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.398 7.312 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.719 7.733 -3.143 1.00 0.00 H new ATOM 287 N PRO A 31 -5.731 6.903 -5.637 1.00 0.00 N ATOM 288 CA PRO A 31 -5.343 6.310 -6.905 1.00 0.00 C ATOM 289 C PRO A 31 -3.897 5.810 -6.857 1.00 0.00 C ATOM 290 O PRO A 31 -3.539 4.867 -7.561 1.00 0.00 O ATOM 291 CB PRO A 31 -5.557 7.407 -7.935 1.00 0.00 C ATOM 292 CG PRO A 31 -5.612 8.709 -7.152 1.00 0.00 C ATOM 293 CD PRO A 31 -5.785 8.361 -5.683 1.00 0.00 C ATOM 0 HA PRO A 31 -5.933 5.428 -7.154 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.746 7.423 -8.663 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.481 7.246 -8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.699 9.284 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.440 9.328 -7.498 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.997 8.806 -5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.734 8.734 -5.297 1.00 0.00 H new ATOM 301 N VAL A 32 -3.107 6.463 -6.018 1.00 0.00 N ATOM 302 CA VAL A 32 -1.709 6.097 -5.869 1.00 0.00 C ATOM 303 C VAL A 32 -1.607 4.824 -5.025 1.00 0.00 C ATOM 304 O VAL A 32 -1.110 3.802 -5.495 1.00 0.00 O ATOM 305 CB VAL A 32 -0.920 7.269 -5.280 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.524 6.862 -4.979 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.966 8.482 -6.210 1.00 0.00 C ATOM 0 H VAL A 32 -3.408 7.243 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.266 5.880 -6.841 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.391 7.551 -4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.062 7.713 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.529 6.042 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.011 6.541 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.398 9.301 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.532 8.218 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.001 8.793 -6.351 1.00 0.00 H new ATOM 317 N GLU A 33 -2.086 4.929 -3.794 1.00 0.00 N ATOM 318 CA GLU A 33 -2.056 3.799 -2.881 1.00 0.00 C ATOM 319 C GLU A 33 -2.583 2.541 -3.574 1.00 0.00 C ATOM 320 O GLU A 33 -1.879 1.537 -3.667 1.00 0.00 O ATOM 321 CB GLU A 33 -2.852 4.100 -1.610 1.00 0.00 C ATOM 322 CG GLU A 33 -2.737 2.951 -0.606 1.00 0.00 C ATOM 323 CD GLU A 33 -4.019 2.812 0.217 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.292 3.744 1.005 1.00 0.00 O ATOM 325 OE2 GLU A 33 -4.698 1.777 0.041 1.00 0.00 O ATOM 0 H GLU A 33 -2.497 5.779 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.021 3.621 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.486 5.021 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.900 4.263 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.538 2.019 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.891 3.127 0.059 1.00 0.00 H new ATOM 332 N ALA A 34 -3.819 2.637 -4.043 1.00 0.00 N ATOM 333 CA ALA A 34 -4.449 1.520 -4.725 1.00 0.00 C ATOM 334 C ALA A 34 -3.443 0.879 -5.683 1.00 0.00 C ATOM 335 O ALA A 34 -3.274 -0.340 -5.686 1.00 0.00 O ATOM 336 CB ALA A 34 -5.710 2.006 -5.444 1.00 0.00 C ATOM 0 H ALA A 34 -4.400 3.471 -3.964 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.755 0.757 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.183 1.168 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.405 2.426 -4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.441 2.771 -6.172 1.00 0.00 H new ATOM 342 N ALA A 35 -2.800 1.728 -6.471 1.00 0.00 N ATOM 343 CA ALA A 35 -1.815 1.259 -7.431 1.00 0.00 C ATOM 344 C ALA A 35 -0.717 0.491 -6.693 1.00 0.00 C ATOM 345 O ALA A 35 -0.426 -0.657 -7.027 1.00 0.00 O ATOM 346 CB ALA A 35 -1.265 2.449 -8.220 1.00 0.00 C ATOM 0 H ALA A 35 -2.942 2.738 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.271 0.576 -8.147 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.526 2.098 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.080 2.943 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.796 3.155 -7.534 1.00 0.00 H new ATOM 352 N ILE A 36 -0.136 1.155 -5.704 1.00 0.00 N ATOM 353 CA ILE A 36 0.924 0.549 -4.917 1.00 0.00 C ATOM 354 C ILE A 36 0.584 -0.921 -4.658 1.00 0.00 C ATOM 355 O ILE A 36 1.455 -1.786 -4.737 1.00 0.00 O ATOM 356 CB ILE A 36 1.172 1.356 -3.641 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.587 2.791 -3.973 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.193 0.658 -2.740 1.00 0.00 C ATOM 359 CD1 ILE A 36 2.030 3.539 -2.713 1.00 0.00 C ATOM 0 H ILE A 36 -0.380 2.107 -5.430 1.00 0.00 H new ATOM 0 HA ILE A 36 1.865 0.568 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 36 0.237 1.411 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.400 2.780 -4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.753 3.316 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.351 1.253 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.820 -0.328 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.137 0.551 -3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.320 4.556 -2.977 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.206 3.570 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.880 3.025 -2.264 1.00 0.00 H new ATOM 371 N ARG A 37 -0.683 -1.158 -4.354 1.00 0.00 N ATOM 372 CA ARG A 37 -1.148 -2.507 -4.083 1.00 0.00 C ATOM 373 C ARG A 37 -1.487 -3.224 -5.391 1.00 0.00 C ATOM 374 O ARG A 37 -0.886 -4.247 -5.717 1.00 0.00 O ATOM 375 CB ARG A 37 -2.385 -2.493 -3.182 1.00 0.00 C ATOM 376 CG ARG A 37 -2.770 -3.912 -2.759 1.00 0.00 C ATOM 377 CD ARG A 37 -4.272 -4.147 -2.934 1.00 0.00 C ATOM 378 NE ARG A 37 -4.833 -4.770 -1.714 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.132 -4.745 -1.388 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.013 -4.129 -2.188 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.551 -5.337 -0.261 1.00 0.00 N ATOM 0 H ARG A 37 -1.403 -0.438 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.345 -3.038 -3.571 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.189 -1.887 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.218 -2.028 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.213 -4.636 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.492 -4.073 -1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.776 -3.201 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.450 -4.791 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.190 -5.248 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.695 -3.679 -3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.002 -4.111 -1.939 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.881 -5.806 0.348 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.540 -5.318 -0.012 1.00 0.00 H new ATOM 395 N ALA A 38 -2.449 -2.660 -6.106 1.00 0.00 N ATOM 396 CA ALA A 38 -2.875 -3.232 -7.372 1.00 0.00 C ATOM 397 C ALA A 38 -1.650 -3.732 -8.139 1.00 0.00 C ATOM 398 O ALA A 38 -1.718 -4.746 -8.833 1.00 0.00 O ATOM 399 CB ALA A 38 -3.673 -2.192 -8.161 1.00 0.00 C ATOM 0 H ALA A 38 -2.946 -1.812 -5.833 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.531 -4.087 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.992 -2.622 -9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.549 -1.892 -7.586 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.047 -1.320 -8.350 1.00 0.00 H new ATOM 405 N LYS A 39 -0.557 -2.997 -7.989 1.00 0.00 N ATOM 406 CA LYS A 39 0.682 -3.353 -8.660 1.00 0.00 C ATOM 407 C LYS A 39 1.229 -4.648 -8.057 1.00 0.00 C ATOM 408 O LYS A 39 1.197 -5.698 -8.699 1.00 0.00 O ATOM 409 CB LYS A 39 1.671 -2.187 -8.611 1.00 0.00 C ATOM 410 CG LYS A 39 1.280 -1.094 -9.609 1.00 0.00 C ATOM 411 CD LYS A 39 2.120 -1.189 -10.884 1.00 0.00 C ATOM 412 CE LYS A 39 1.479 -0.395 -12.023 1.00 0.00 C ATOM 413 NZ LYS A 39 2.416 0.632 -12.531 1.00 0.00 N ATOM 0 H LYS A 39 -0.504 -2.157 -7.413 1.00 0.00 H new ATOM 0 HA LYS A 39 0.501 -3.544 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.699 -1.772 -7.604 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.675 -2.547 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.223 -1.186 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.416 -0.114 -9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.124 -0.810 -10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.225 -2.233 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.197 -1.070 -12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.564 0.081 -11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.965 1.162 -13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.664 1.286 -11.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.278 0.171 -12.885 1.00 0.00 H new ATOM 427 N LEU A 40 1.717 -4.533 -6.831 1.00 0.00 N ATOM 428 CA LEU A 40 2.270 -5.682 -6.134 1.00 0.00 C ATOM 429 C LEU A 40 1.327 -6.875 -6.299 1.00 0.00 C ATOM 430 O LEU A 40 1.765 -8.025 -6.283 1.00 0.00 O ATOM 431 CB LEU A 40 2.570 -5.331 -4.676 1.00 0.00 C ATOM 432 CG LEU A 40 3.698 -4.323 -4.446 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.944 -4.107 -2.952 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.971 -4.748 -5.181 1.00 0.00 C ATOM 0 H LEU A 40 1.741 -3.661 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 40 3.226 -5.969 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.660 -4.937 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.818 -6.250 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 40 3.390 -3.364 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.750 -3.386 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.035 -3.727 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.222 -5.054 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.757 -4.015 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.294 -5.723 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.770 -4.810 -6.251 1.00 0.00 H new ATOM 446 N GLU A 41 0.049 -6.562 -6.452 1.00 0.00 N ATOM 447 CA GLU A 41 -0.960 -7.594 -6.619 1.00 0.00 C ATOM 448 C GLU A 41 -0.672 -8.420 -7.874 1.00 0.00 C ATOM 449 O GLU A 41 -0.812 -9.642 -7.863 1.00 0.00 O ATOM 450 CB GLU A 41 -2.363 -6.985 -6.673 1.00 0.00 C ATOM 451 CG GLU A 41 -2.968 -6.875 -5.272 1.00 0.00 C ATOM 452 CD GLU A 41 -4.476 -6.628 -5.343 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.874 -5.790 -6.181 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.196 -7.282 -4.558 1.00 0.00 O ATOM 0 H GLU A 41 -0.311 -5.608 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.920 -8.257 -5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.317 -5.997 -7.132 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.006 -7.599 -7.303 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.772 -7.791 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.488 -6.062 -4.728 1.00 0.00 H new ATOM 461 N GLN A 42 -0.275 -7.719 -8.927 1.00 0.00 N ATOM 462 CA GLN A 42 0.034 -8.373 -10.187 1.00 0.00 C ATOM 463 C GLN A 42 1.548 -8.434 -10.396 1.00 0.00 C ATOM 464 O GLN A 42 2.020 -9.003 -11.379 1.00 0.00 O ATOM 465 CB GLN A 42 -0.653 -7.663 -11.356 1.00 0.00 C ATOM 466 CG GLN A 42 -0.237 -6.192 -11.424 1.00 0.00 C ATOM 467 CD GLN A 42 -0.697 -5.552 -12.735 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.481 -6.109 -13.486 1.00 0.00 O ATOM 469 NE2 GLN A 42 -0.169 -4.354 -12.967 1.00 0.00 N ATOM 0 H GLN A 42 -0.160 -6.705 -8.933 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.349 -9.393 -10.148 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.396 -8.161 -12.291 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.735 -7.734 -11.244 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.665 -5.650 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.847 -6.112 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.482 -3.945 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.414 -3.844 -13.816 1.00 0.00 H new ATOM 478 N ALA A 43 2.268 -7.841 -9.455 1.00 0.00 N ATOM 479 CA ALA A 43 3.719 -7.821 -9.523 1.00 0.00 C ATOM 480 C ALA A 43 4.282 -8.934 -8.637 1.00 0.00 C ATOM 481 O ALA A 43 5.313 -9.524 -8.956 1.00 0.00 O ATOM 482 CB ALA A 43 4.230 -6.437 -9.118 1.00 0.00 C ATOM 0 H ALA A 43 1.873 -7.370 -8.641 1.00 0.00 H new ATOM 0 HA ALA A 43 4.059 -8.008 -10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.319 -6.422 -9.169 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.824 -5.687 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.911 -6.215 -8.099 1.00 0.00 H new ATOM 488 N LEU A 44 3.581 -9.186 -7.542 1.00 0.00 N ATOM 489 CA LEU A 44 3.998 -10.218 -6.607 1.00 0.00 C ATOM 490 C LEU A 44 2.877 -11.249 -6.458 1.00 0.00 C ATOM 491 O LEU A 44 3.137 -12.449 -6.400 1.00 0.00 O ATOM 492 CB LEU A 44 4.440 -9.593 -5.282 1.00 0.00 C ATOM 493 CG LEU A 44 5.619 -8.622 -5.359 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.720 -7.781 -4.084 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.922 -9.364 -5.661 1.00 0.00 C ATOM 0 H LEU A 44 2.727 -8.694 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 44 4.870 -10.749 -6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.589 -9.067 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.701 -10.397 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 44 5.442 -7.934 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.566 -7.099 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.803 -7.207 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.863 -8.437 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.744 -8.650 -5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.119 -10.090 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.833 -9.881 -6.616 1.00 0.00 H new ATOM 507 N SER A 45 1.654 -10.742 -6.401 1.00 0.00 N ATOM 508 CA SER A 45 0.493 -11.603 -6.259 1.00 0.00 C ATOM 509 C SER A 45 0.634 -12.470 -5.006 1.00 0.00 C ATOM 510 O SER A 45 0.620 -13.697 -5.092 1.00 0.00 O ATOM 511 CB SER A 45 0.307 -12.484 -7.496 1.00 0.00 C ATOM 512 OG SER A 45 -1.061 -12.584 -7.880 1.00 0.00 O ATOM 0 H SER A 45 1.442 -9.745 -6.451 1.00 0.00 H new ATOM 0 HA SER A 45 -0.390 -10.972 -6.159 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.887 -12.074 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.700 -13.480 -7.294 1.00 0.00 H new ATOM 0 HG SER A 45 -1.429 -11.686 -8.015 1.00 0.00 H new ATOM 518 N PRO A 46 0.770 -11.780 -3.842 1.00 0.00 N ATOM 519 CA PRO A 46 0.914 -12.474 -2.574 1.00 0.00 C ATOM 520 C PRO A 46 -0.424 -13.056 -2.113 1.00 0.00 C ATOM 521 O PRO A 46 -1.426 -12.956 -2.820 1.00 0.00 O ATOM 522 CB PRO A 46 1.470 -11.432 -1.617 1.00 0.00 C ATOM 523 CG PRO A 46 1.181 -10.083 -2.255 1.00 0.00 C ATOM 524 CD PRO A 46 0.791 -10.327 -3.704 1.00 0.00 C ATOM 0 HA PRO A 46 1.581 -13.334 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.998 -11.510 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.541 -11.572 -1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.377 -9.574 -1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.058 -9.438 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.183 -9.894 -3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.508 -9.874 -4.389 1.00 0.00 H new ATOM 532 N GLU A 47 -0.398 -13.651 -0.929 1.00 0.00 N ATOM 533 CA GLU A 47 -1.596 -14.249 -0.365 1.00 0.00 C ATOM 534 C GLU A 47 -2.372 -13.213 0.451 1.00 0.00 C ATOM 535 O GLU A 47 -3.567 -13.378 0.695 1.00 0.00 O ATOM 536 CB GLU A 47 -1.250 -15.472 0.486 1.00 0.00 C ATOM 537 CG GLU A 47 -0.602 -16.566 -0.364 1.00 0.00 C ATOM 538 CD GLU A 47 -1.619 -17.648 -0.733 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.185 -18.240 0.210 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.807 -17.858 -1.951 1.00 0.00 O ATOM 0 H GLU A 47 0.434 -13.732 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.231 -14.587 -1.184 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.572 -15.181 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.154 -15.859 0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.186 -16.128 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.228 -17.013 0.183 1.00 0.00 H new ATOM 547 N VAL A 48 -1.661 -12.170 0.852 1.00 0.00 N ATOM 548 CA VAL A 48 -2.268 -11.108 1.636 1.00 0.00 C ATOM 549 C VAL A 48 -1.557 -9.787 1.335 1.00 0.00 C ATOM 550 O VAL A 48 -0.450 -9.550 1.815 1.00 0.00 O ATOM 551 CB VAL A 48 -2.244 -11.474 3.122 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.090 -10.498 3.941 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.706 -12.917 3.338 1.00 0.00 C ATOM 0 H VAL A 48 -0.670 -12.037 0.649 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.316 -10.984 1.362 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.214 -11.396 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.056 -10.781 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.696 -9.488 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.122 -10.528 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.680 -13.152 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.724 -13.033 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.044 -13.595 2.800 1.00 0.00 H new ATOM 563 N LEU A 49 -2.224 -8.961 0.542 1.00 0.00 N ATOM 564 CA LEU A 49 -1.669 -7.670 0.171 1.00 0.00 C ATOM 565 C LEU A 49 -2.533 -6.558 0.769 1.00 0.00 C ATOM 566 O LEU A 49 -3.409 -6.017 0.095 1.00 0.00 O ATOM 567 CB LEU A 49 -1.507 -7.573 -1.348 1.00 0.00 C ATOM 568 CG LEU A 49 -0.181 -6.993 -1.845 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.099 -7.041 -3.372 1.00 0.00 C ATOM 570 CD2 LEU A 49 0.035 -5.578 -1.304 1.00 0.00 C ATOM 0 H LEU A 49 -3.143 -9.160 0.146 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.667 -7.553 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.626 -8.571 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.319 -6.961 -1.742 1.00 0.00 H new ATOM 0 HG LEU A 49 0.629 -7.613 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.853 -6.623 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.176 -8.075 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.916 -6.459 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.984 -5.189 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.777 -4.932 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.051 -5.604 -0.214 1.00 0.00 H new ATOM 582 N GLU A 50 -2.257 -6.249 2.027 1.00 0.00 N ATOM 583 CA GLU A 50 -2.998 -5.211 2.723 1.00 0.00 C ATOM 584 C GLU A 50 -2.315 -3.855 2.536 1.00 0.00 C ATOM 585 O GLU A 50 -1.089 -3.760 2.592 1.00 0.00 O ATOM 586 CB GLU A 50 -3.150 -5.548 4.208 1.00 0.00 C ATOM 587 CG GLU A 50 -4.413 -6.375 4.456 1.00 0.00 C ATOM 588 CD GLU A 50 -5.659 -5.486 4.456 1.00 0.00 C ATOM 589 OE1 GLU A 50 -5.697 -4.562 3.614 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.544 -5.750 5.297 1.00 0.00 O ATOM 0 H GLU A 50 -1.530 -6.699 2.583 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.998 -5.155 2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.276 -6.101 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.193 -4.628 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.508 -7.140 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.331 -6.893 5.412 1.00 0.00 H new ATOM 597 N LEU A 51 -3.137 -2.839 2.318 1.00 0.00 N ATOM 598 CA LEU A 51 -2.627 -1.492 2.122 1.00 0.00 C ATOM 599 C LEU A 51 -3.672 -0.482 2.600 1.00 0.00 C ATOM 600 O LEU A 51 -4.858 -0.625 2.308 1.00 0.00 O ATOM 601 CB LEU A 51 -2.196 -1.289 0.668 1.00 0.00 C ATOM 602 CG LEU A 51 -1.563 0.065 0.340 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.431 0.392 1.316 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.095 0.113 -1.116 1.00 0.00 C ATOM 0 H LEU A 51 -4.153 -2.921 2.273 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.731 -1.333 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.485 -2.073 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.068 -1.425 0.029 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.324 0.836 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.002 1.359 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.825 0.428 2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.338 -0.378 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.649 1.086 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.355 -0.669 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.947 -0.044 -1.777 1.00 0.00 H new ATOM 616 N ARG A 52 -3.193 0.516 3.328 1.00 0.00 N ATOM 617 CA ARG A 52 -4.071 1.550 3.850 1.00 0.00 C ATOM 618 C ARG A 52 -3.344 2.896 3.883 1.00 0.00 C ATOM 619 O ARG A 52 -2.122 2.949 3.760 1.00 0.00 O ATOM 620 CB ARG A 52 -4.553 1.203 5.260 1.00 0.00 C ATOM 621 CG ARG A 52 -5.627 0.115 5.220 1.00 0.00 C ATOM 622 CD ARG A 52 -5.127 -1.174 5.875 1.00 0.00 C ATOM 623 NE ARG A 52 -6.114 -2.259 5.678 1.00 0.00 N ATOM 624 CZ ARG A 52 -7.225 -2.407 6.413 1.00 0.00 C ATOM 625 NH1 ARG A 52 -7.496 -1.541 7.399 1.00 0.00 N ATOM 626 NH2 ARG A 52 -8.064 -3.421 6.163 1.00 0.00 N ATOM 0 H ARG A 52 -2.208 0.631 3.569 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.935 1.616 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.710 0.865 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.952 2.096 5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.523 0.464 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.910 -0.084 4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.168 -1.462 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.962 -1.010 6.940 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.938 -2.937 4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.857 -0.769 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.341 -1.653 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.857 -4.081 5.413 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.909 -3.533 6.723 1.00 0.00 H new ATOM 640 N ASN A 53 -4.128 3.951 4.050 1.00 0.00 N ATOM 641 CA ASN A 53 -3.574 5.294 4.101 1.00 0.00 C ATOM 642 C ASN A 53 -3.262 5.657 5.555 1.00 0.00 C ATOM 643 O ASN A 53 -4.163 5.719 6.390 1.00 0.00 O ATOM 644 CB ASN A 53 -4.571 6.321 3.561 1.00 0.00 C ATOM 645 CG ASN A 53 -4.004 7.739 3.658 1.00 0.00 C ATOM 646 OD1 ASN A 53 -4.211 8.453 4.625 1.00 0.00 O ATOM 647 ND2 ASN A 53 -3.278 8.105 2.606 1.00 0.00 N ATOM 0 H ASN A 53 -5.142 3.903 4.152 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.672 5.311 3.490 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.809 6.091 2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.503 6.259 4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.855 9.033 2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.144 7.458 1.829 1.00 0.00 H new ATOM 654 N GLU A 54 -1.983 5.888 5.812 1.00 0.00 N ATOM 655 CA GLU A 54 -1.541 6.243 7.150 1.00 0.00 C ATOM 656 C GLU A 54 -1.695 7.748 7.377 1.00 0.00 C ATOM 657 O GLU A 54 -2.034 8.182 8.477 1.00 0.00 O ATOM 658 CB GLU A 54 -0.097 5.798 7.386 1.00 0.00 C ATOM 659 CG GLU A 54 -0.047 4.379 7.955 1.00 0.00 C ATOM 660 CD GLU A 54 0.921 4.296 9.138 1.00 0.00 C ATOM 661 OE1 GLU A 54 2.135 4.169 8.870 1.00 0.00 O ATOM 662 OE2 GLU A 54 0.424 4.361 10.283 1.00 0.00 O ATOM 0 H GLU A 54 -1.239 5.836 5.117 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.170 5.720 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.457 5.837 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.392 6.487 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.044 4.076 8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.264 3.682 7.177 1.00 0.00 H new ATOM 669 N SER A 55 -1.439 8.504 6.319 1.00 0.00 N ATOM 670 CA SER A 55 -1.545 9.951 6.390 1.00 0.00 C ATOM 671 C SER A 55 -2.762 10.346 7.229 1.00 0.00 C ATOM 672 O SER A 55 -3.899 10.212 6.781 1.00 0.00 O ATOM 673 CB SER A 55 -1.643 10.565 4.992 1.00 0.00 C ATOM 674 OG SER A 55 -2.353 11.801 5.000 1.00 0.00 O ATOM 0 H SER A 55 -1.158 8.141 5.408 1.00 0.00 H new ATOM 0 HA SER A 55 -0.643 10.337 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.640 10.725 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.142 9.864 4.323 1.00 0.00 H new ATOM 0 HG SER A 55 -2.156 12.297 4.178 1.00 0.00 H new ATOM 680 N GLY A 56 -2.480 10.826 8.432 1.00 0.00 N ATOM 681 CA GLY A 56 -3.538 11.241 9.338 1.00 0.00 C ATOM 682 C GLY A 56 -3.020 11.343 10.774 1.00 0.00 C ATOM 683 O GLY A 56 -2.853 10.330 11.451 1.00 0.00 O ATOM 0 H GLY A 56 -1.535 10.937 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.936 12.205 9.021 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.361 10.527 9.294 1.00 0.00 H new ATOM 687 N GLY A 57 -2.781 12.576 11.197 1.00 0.00 N ATOM 688 CA GLY A 57 -2.286 12.823 12.541 1.00 0.00 C ATOM 689 C GLY A 57 -1.112 13.804 12.521 1.00 0.00 C ATOM 690 O GLY A 57 -1.167 14.856 13.156 1.00 0.00 O ATOM 0 H GLY A 57 -2.921 13.414 10.633 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.089 13.223 13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.972 11.883 12.995 1.00 0.00 H new ATOM 694 N HIS A 58 -0.078 13.425 11.784 1.00 0.00 N ATOM 695 CA HIS A 58 1.107 14.259 11.673 1.00 0.00 C ATOM 696 C HIS A 58 0.696 15.694 11.341 1.00 0.00 C ATOM 697 O HIS A 58 -0.368 15.922 10.767 1.00 0.00 O ATOM 698 CB HIS A 58 2.090 13.673 10.657 1.00 0.00 C ATOM 699 CG HIS A 58 1.461 13.312 9.333 1.00 0.00 C ATOM 700 ND1 HIS A 58 0.153 13.264 8.951 1.00 0.00 N flip ATOM 701 CD2 HIS A 58 2.205 12.946 8.225 1.00 0.00 C flip ATOM 702 CE1 HIS A 58 0.100 12.890 7.678 1.00 0.00 C flip ATOM 703 NE2 HIS A 58 1.372 12.692 7.226 1.00 0.00 N flip ATOM 0 H HIS A 58 -0.036 12.552 11.258 1.00 0.00 H new ATOM 0 HA HIS A 58 1.632 14.281 12.628 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.890 14.393 10.484 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.550 12.782 11.084 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.282 12.879 8.182 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.801 12.763 7.096 1.00 0.00 H new ATOM 0 HE2 HIS A 58 1.635 12.400 6.285 1.00 0.00 H new ATOM 711 N ALA A 59 1.560 16.625 11.716 1.00 0.00 N ATOM 712 CA ALA A 59 1.300 18.033 11.465 1.00 0.00 C ATOM 713 C ALA A 59 1.628 18.355 10.006 1.00 0.00 C ATOM 714 O ALA A 59 2.685 18.911 9.712 1.00 0.00 O ATOM 715 CB ALA A 59 2.108 18.884 12.446 1.00 0.00 C ATOM 0 H ALA A 59 2.441 16.432 12.192 1.00 0.00 H new ATOM 0 HA ALA A 59 0.247 18.264 11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.913 19.940 12.258 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.817 18.638 13.467 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.171 18.682 12.313 1.00 0.00 H new ATOM 721 N VAL A 60 0.703 17.992 9.130 1.00 0.00 N ATOM 722 CA VAL A 60 0.880 18.236 7.709 1.00 0.00 C ATOM 723 C VAL A 60 -0.446 18.704 7.106 1.00 0.00 C ATOM 724 O VAL A 60 -1.510 18.455 7.670 1.00 0.00 O ATOM 725 CB VAL A 60 1.437 16.984 7.029 1.00 0.00 C ATOM 726 CG1 VAL A 60 2.918 16.790 7.363 1.00 0.00 C ATOM 727 CG2 VAL A 60 0.623 15.745 7.409 1.00 0.00 C ATOM 0 H VAL A 60 -0.172 17.530 9.377 1.00 0.00 H new ATOM 0 HA VAL A 60 1.609 19.030 7.546 1.00 0.00 H new ATOM 0 HB VAL A 60 1.352 17.123 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.288 15.893 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.485 17.655 7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.037 16.683 8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.040 14.869 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.661 15.602 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.413 15.880 7.097 1.00 0.00 H new ATOM 737 N PRO A 61 -0.336 19.390 5.937 1.00 0.00 N ATOM 738 CA PRO A 61 -1.513 19.895 5.252 1.00 0.00 C ATOM 739 C PRO A 61 -2.270 18.762 4.555 1.00 0.00 C ATOM 740 O PRO A 61 -1.661 17.907 3.914 1.00 0.00 O ATOM 741 CB PRO A 61 -0.987 20.941 4.283 1.00 0.00 C ATOM 742 CG PRO A 61 0.498 20.656 4.129 1.00 0.00 C ATOM 743 CD PRO A 61 0.908 19.703 5.240 1.00 0.00 C ATOM 0 HA PRO A 61 -2.240 20.334 5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.499 20.877 3.323 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.154 21.948 4.666 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.703 20.215 3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.072 21.581 4.188 1.00 0.00 H new ATOM 0 HD2 PRO A 61 1.374 18.803 4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.632 20.165 5.911 1.00 0.00 H new ATOM 751 N ALA A 62 -3.586 18.794 4.704 1.00 0.00 N ATOM 752 CA ALA A 62 -4.432 17.780 4.097 1.00 0.00 C ATOM 753 C ALA A 62 -3.933 17.486 2.682 1.00 0.00 C ATOM 754 O ALA A 62 -3.317 18.341 2.046 1.00 0.00 O ATOM 755 CB ALA A 62 -5.887 18.252 4.116 1.00 0.00 C ATOM 0 H ALA A 62 -4.087 19.506 5.236 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.383 16.850 4.663 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.522 17.492 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.202 18.419 5.146 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.975 19.182 3.555 1.00 0.00 H new ATOM 761 N GLY A 63 -4.216 16.273 2.228 1.00 0.00 N ATOM 762 CA GLY A 63 -3.803 15.856 0.899 1.00 0.00 C ATOM 763 C GLY A 63 -2.346 15.389 0.899 1.00 0.00 C ATOM 764 O GLY A 63 -1.676 15.432 -0.131 1.00 0.00 O ATOM 0 H GLY A 63 -4.726 15.566 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.447 15.049 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.923 16.684 0.200 1.00 0.00 H new ATOM 768 N SER A 64 -1.898 14.952 2.067 1.00 0.00 N ATOM 769 CA SER A 64 -0.533 14.477 2.215 1.00 0.00 C ATOM 770 C SER A 64 -0.487 12.957 2.048 1.00 0.00 C ATOM 771 O SER A 64 -0.976 12.220 2.903 1.00 0.00 O ATOM 772 CB SER A 64 0.046 14.879 3.573 1.00 0.00 C ATOM 773 OG SER A 64 -0.936 14.844 4.604 1.00 0.00 O ATOM 0 H SER A 64 -2.456 14.917 2.920 1.00 0.00 H new ATOM 0 HA SER A 64 0.076 14.940 1.439 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.866 14.208 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.465 15.883 3.505 1.00 0.00 H new ATOM 0 HG SER A 64 -1.383 15.714 4.659 1.00 0.00 H new ATOM 779 N GLU A 65 0.106 12.533 0.941 1.00 0.00 N ATOM 780 CA GLU A 65 0.222 11.114 0.651 1.00 0.00 C ATOM 781 C GLU A 65 1.694 10.698 0.616 1.00 0.00 C ATOM 782 O GLU A 65 2.168 10.164 -0.386 1.00 0.00 O ATOM 783 CB GLU A 65 -0.479 10.763 -0.663 1.00 0.00 C ATOM 784 CG GLU A 65 -1.956 10.442 -0.428 1.00 0.00 C ATOM 785 CD GLU A 65 -2.857 11.454 -1.138 1.00 0.00 C ATOM 786 OE1 GLU A 65 -2.879 12.616 -0.676 1.00 0.00 O ATOM 787 OE2 GLU A 65 -3.503 11.044 -2.126 1.00 0.00 O ATOM 0 H GLU A 65 0.511 13.147 0.235 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.273 10.559 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.391 11.596 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.014 9.907 -1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.176 9.438 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.168 10.449 0.641 1.00 0.00 H new ATOM 794 N THR A 66 2.376 10.958 1.721 1.00 0.00 N ATOM 795 CA THR A 66 3.785 10.618 1.829 1.00 0.00 C ATOM 796 C THR A 66 3.984 9.487 2.840 1.00 0.00 C ATOM 797 O THR A 66 5.071 8.918 2.933 1.00 0.00 O ATOM 798 CB THR A 66 4.553 11.892 2.184 1.00 0.00 C ATOM 799 OG1 THR A 66 4.047 12.258 3.465 1.00 0.00 O ATOM 800 CG2 THR A 66 4.178 13.072 1.284 1.00 0.00 C ATOM 0 H THR A 66 1.979 11.400 2.550 1.00 0.00 H new ATOM 0 HA THR A 66 4.174 10.240 0.884 1.00 0.00 H new ATOM 0 HB THR A 66 5.624 11.703 2.107 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.493 13.075 3.772 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.752 13.951 1.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.402 12.824 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.113 13.283 1.385 1.00 0.00 H new ATOM 808 N HIS A 67 2.919 9.195 3.571 1.00 0.00 N ATOM 809 CA HIS A 67 2.963 8.143 4.572 1.00 0.00 C ATOM 810 C HIS A 67 1.955 7.050 4.212 1.00 0.00 C ATOM 811 O HIS A 67 0.786 7.338 3.958 1.00 0.00 O ATOM 812 CB HIS A 67 2.742 8.715 5.973 1.00 0.00 C ATOM 813 CG HIS A 67 3.388 7.910 7.075 1.00 0.00 C ATOM 814 ND1 HIS A 67 2.879 7.854 8.361 1.00 0.00 N ATOM 815 CD2 HIS A 67 4.506 7.128 7.069 1.00 0.00 C ATOM 816 CE1 HIS A 67 3.663 7.072 9.088 1.00 0.00 C ATOM 817 NE2 HIS A 67 4.671 6.623 8.286 1.00 0.00 N ATOM 0 H HIS A 67 2.019 9.669 3.490 1.00 0.00 H new ATOM 0 HA HIS A 67 3.953 7.687 4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.132 9.732 6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 67 1.671 8.778 6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.148 6.950 6.219 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.528 6.832 10.132 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.427 6.002 8.574 1.00 0.00 H new ATOM 825 N PHE A 68 2.444 5.818 4.202 1.00 0.00 N ATOM 826 CA PHE A 68 1.600 4.681 3.877 1.00 0.00 C ATOM 827 C PHE A 68 2.129 3.402 4.530 1.00 0.00 C ATOM 828 O PHE A 68 3.266 3.363 4.995 1.00 0.00 O ATOM 829 CB PHE A 68 1.637 4.516 2.356 1.00 0.00 C ATOM 830 CG PHE A 68 0.598 5.360 1.614 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.721 5.039 1.693 1.00 0.00 C ATOM 832 CD2 PHE A 68 0.994 6.430 0.874 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.685 5.822 1.004 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.031 7.213 0.185 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.289 6.892 0.265 1.00 0.00 C ATOM 0 H PHE A 68 3.414 5.583 4.414 1.00 0.00 H new ATOM 0 HA PHE A 68 0.588 4.852 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.631 4.782 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.480 3.466 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.036 4.189 2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.042 6.684 0.810 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.733 5.567 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.346 8.063 -0.402 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.022 7.487 -0.259 1.00 0.00 H new ATOM 845 N ARG A 69 1.278 2.387 4.542 1.00 0.00 N ATOM 846 CA ARG A 69 1.645 1.109 5.130 1.00 0.00 C ATOM 847 C ARG A 69 1.075 -0.041 4.298 1.00 0.00 C ATOM 848 O ARG A 69 -0.140 -0.174 4.165 1.00 0.00 O ATOM 849 CB ARG A 69 1.129 0.995 6.566 1.00 0.00 C ATOM 850 CG ARG A 69 1.790 -0.177 7.294 1.00 0.00 C ATOM 851 CD ARG A 69 2.004 0.148 8.774 1.00 0.00 C ATOM 852 NE ARG A 69 3.349 -0.296 9.200 1.00 0.00 N ATOM 853 CZ ARG A 69 3.920 0.047 10.363 1.00 0.00 C ATOM 854 NH1 ARG A 69 3.266 0.840 11.222 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.146 -0.404 10.667 1.00 0.00 N ATOM 0 H ARG A 69 0.335 2.423 4.154 1.00 0.00 H new ATOM 0 HA ARG A 69 2.733 1.049 5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.330 1.922 7.103 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.047 0.860 6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.167 -1.066 7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.747 -0.407 6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.897 1.220 8.939 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.241 -0.345 9.377 1.00 0.00 H new ATOM 0 HE ARG A 69 3.875 -0.901 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.333 1.183 10.991 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.701 1.101 12.107 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.644 -1.008 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.581 -0.143 11.552 1.00 0.00 H new ATOM 869 N VAL A 70 1.981 -0.844 3.758 1.00 0.00 N ATOM 870 CA VAL A 70 1.584 -1.979 2.943 1.00 0.00 C ATOM 871 C VAL A 70 2.023 -3.274 3.630 1.00 0.00 C ATOM 872 O VAL A 70 3.050 -3.305 4.305 1.00 0.00 O ATOM 873 CB VAL A 70 2.150 -1.831 1.529 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.514 -2.514 1.410 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.172 -2.375 0.487 1.00 0.00 C ATOM 0 H VAL A 70 2.989 -0.731 3.869 1.00 0.00 H new ATOM 0 HA VAL A 70 0.499 -2.016 2.843 1.00 0.00 H new ATOM 0 HB VAL A 70 2.290 -0.768 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.894 -2.394 0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.211 -2.060 2.114 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.410 -3.575 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.599 -2.257 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.986 -3.432 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.233 -1.824 0.547 1.00 0.00 H new ATOM 885 N ALA A 71 1.222 -4.311 3.434 1.00 0.00 N ATOM 886 CA ALA A 71 1.515 -5.605 4.026 1.00 0.00 C ATOM 887 C ALA A 71 1.462 -6.681 2.940 1.00 0.00 C ATOM 888 O ALA A 71 0.384 -7.142 2.569 1.00 0.00 O ATOM 889 CB ALA A 71 0.532 -5.879 5.167 1.00 0.00 C ATOM 0 H ALA A 71 0.370 -4.281 2.874 1.00 0.00 H new ATOM 0 HA ALA A 71 2.519 -5.614 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.752 -6.850 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.629 -5.102 5.926 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.486 -5.880 4.778 1.00 0.00 H new ATOM 895 N VAL A 72 2.641 -7.052 2.462 1.00 0.00 N ATOM 896 CA VAL A 72 2.743 -8.066 1.426 1.00 0.00 C ATOM 897 C VAL A 72 2.983 -9.430 2.076 1.00 0.00 C ATOM 898 O VAL A 72 3.787 -9.549 2.999 1.00 0.00 O ATOM 899 CB VAL A 72 3.833 -7.682 0.424 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.213 -7.683 1.086 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.809 -8.608 -0.794 1.00 0.00 C ATOM 0 H VAL A 72 3.534 -6.669 2.773 1.00 0.00 H new ATOM 0 HA VAL A 72 1.812 -8.133 0.864 1.00 0.00 H new ATOM 0 HB VAL A 72 3.628 -6.669 0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.969 -7.407 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.224 -6.965 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.430 -8.679 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.594 -8.313 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.976 -9.636 -0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.840 -8.535 -1.287 1.00 0.00 H new ATOM 911 N VAL A 73 2.270 -10.425 1.569 1.00 0.00 N ATOM 912 CA VAL A 73 2.395 -11.776 2.088 1.00 0.00 C ATOM 913 C VAL A 73 2.604 -12.748 0.925 1.00 0.00 C ATOM 914 O VAL A 73 1.645 -13.325 0.413 1.00 0.00 O ATOM 915 CB VAL A 73 1.175 -12.123 2.945 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.224 -13.581 3.403 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.058 -11.175 4.140 1.00 0.00 C ATOM 0 H VAL A 73 1.603 -10.322 0.804 1.00 0.00 H new ATOM 0 HA VAL A 73 3.266 -11.855 2.739 1.00 0.00 H new ATOM 0 HB VAL A 73 0.285 -11.996 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.346 -13.801 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.236 -14.236 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.125 -13.747 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.183 -11.443 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.953 -11.255 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.954 -10.150 3.783 1.00 0.00 H new ATOM 927 N SER A 74 3.863 -12.899 0.541 1.00 0.00 N ATOM 928 CA SER A 74 4.210 -13.791 -0.552 1.00 0.00 C ATOM 929 C SER A 74 5.386 -14.682 -0.148 1.00 0.00 C ATOM 930 O SER A 74 6.066 -14.408 0.840 1.00 0.00 O ATOM 931 CB SER A 74 4.552 -13.003 -1.818 1.00 0.00 C ATOM 932 OG SER A 74 3.694 -13.341 -2.905 1.00 0.00 O ATOM 0 H SER A 74 4.655 -12.419 0.967 1.00 0.00 H new ATOM 0 HA SER A 74 3.345 -14.418 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.474 -11.935 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.587 -13.199 -2.098 1.00 0.00 H new ATOM 0 HG SER A 74 3.943 -12.816 -3.694 1.00 0.00 H new ATOM 938 N SER A 75 5.590 -15.730 -0.932 1.00 0.00 N ATOM 939 CA SER A 75 6.673 -16.663 -0.667 1.00 0.00 C ATOM 940 C SER A 75 7.954 -16.186 -1.354 1.00 0.00 C ATOM 941 O SER A 75 8.985 -16.853 -1.284 1.00 0.00 O ATOM 942 CB SER A 75 6.312 -18.073 -1.139 1.00 0.00 C ATOM 943 OG SER A 75 5.850 -18.084 -2.487 1.00 0.00 O ATOM 0 H SER A 75 5.024 -15.954 -1.751 1.00 0.00 H new ATOM 0 HA SER A 75 6.837 -16.700 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.185 -18.719 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.541 -18.487 -0.488 1.00 0.00 H new ATOM 0 HG SER A 75 5.632 -19.002 -2.751 1.00 0.00 H new ATOM 949 N ARG A 76 7.847 -15.034 -2.001 1.00 0.00 N ATOM 950 CA ARG A 76 8.985 -14.460 -2.699 1.00 0.00 C ATOM 951 C ARG A 76 10.114 -14.156 -1.713 1.00 0.00 C ATOM 952 O ARG A 76 11.284 -14.392 -2.011 1.00 0.00 O ATOM 953 CB ARG A 76 8.592 -13.173 -3.426 1.00 0.00 C ATOM 954 CG ARG A 76 7.623 -13.465 -4.574 1.00 0.00 C ATOM 955 CD ARG A 76 8.371 -13.598 -5.902 1.00 0.00 C ATOM 956 NE ARG A 76 9.490 -14.555 -5.759 1.00 0.00 N ATOM 957 CZ ARG A 76 9.366 -15.883 -5.892 1.00 0.00 C ATOM 958 NH1 ARG A 76 8.170 -16.419 -6.173 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.437 -16.674 -5.745 1.00 0.00 N ATOM 0 H ARG A 76 6.990 -14.483 -2.056 1.00 0.00 H new ATOM 0 HA ARG A 76 9.326 -15.189 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.130 -12.481 -2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.485 -12.684 -3.815 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.075 -14.384 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.887 -12.665 -4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.688 -13.938 -6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.751 -12.625 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 76 10.414 -14.181 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.355 -15.816 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.075 -17.430 -6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.347 -16.266 -5.532 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.342 -17.685 -5.846 1.00 0.00 H new ATOM 973 N PHE A 77 9.725 -13.636 -0.558 1.00 0.00 N ATOM 974 CA PHE A 77 10.690 -13.297 0.474 1.00 0.00 C ATOM 975 C PHE A 77 10.982 -14.503 1.369 1.00 0.00 C ATOM 976 O PHE A 77 11.132 -14.359 2.581 1.00 0.00 O ATOM 977 CB PHE A 77 10.068 -12.186 1.322 1.00 0.00 C ATOM 978 CG PHE A 77 9.302 -11.139 0.510 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.964 -10.351 -0.380 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.961 -10.995 0.678 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.254 -9.379 -1.133 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.250 -10.023 -0.075 1.00 0.00 C ATOM 983 CZ PHE A 77 7.912 -9.236 -0.964 1.00 0.00 C ATOM 0 H PHE A 77 8.754 -13.441 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 77 11.628 -12.982 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.391 -12.634 2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.857 -11.688 1.886 1.00 0.00 H new ATOM 0 HD1 PHE A 77 11.030 -10.465 -0.514 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.436 -11.620 1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.779 -8.754 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.184 -9.909 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.372 -8.497 -1.537 1.00 0.00 H new ATOM 993 N GLU A 78 11.053 -15.665 0.737 1.00 0.00 N ATOM 994 CA GLU A 78 11.324 -16.895 1.462 1.00 0.00 C ATOM 995 C GLU A 78 12.827 -17.046 1.708 1.00 0.00 C ATOM 996 O GLU A 78 13.490 -17.846 1.049 1.00 0.00 O ATOM 997 CB GLU A 78 10.767 -18.107 0.712 1.00 0.00 C ATOM 998 CG GLU A 78 9.404 -18.519 1.271 1.00 0.00 C ATOM 999 CD GLU A 78 9.333 -20.032 1.486 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.115 -20.523 2.328 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.498 -20.663 0.803 1.00 0.00 O ATOM 0 H GLU A 78 10.928 -15.781 -0.269 1.00 0.00 H new ATOM 0 HA GLU A 78 10.821 -16.843 2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.673 -17.871 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.464 -18.941 0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.224 -18.005 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.617 -18.209 0.584 1.00 0.00 H new ATOM 1008 N GLY A 79 13.319 -16.266 2.658 1.00 0.00 N ATOM 1009 CA GLY A 79 14.731 -16.302 3.000 1.00 0.00 C ATOM 1010 C GLY A 79 15.486 -15.150 2.335 1.00 0.00 C ATOM 1011 O GLY A 79 16.684 -15.256 2.074 1.00 0.00 O ATOM 0 H GLY A 79 12.765 -15.605 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.848 -16.242 4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.161 -17.253 2.685 1.00 0.00 H new ATOM 1015 N MET A 80 14.755 -14.075 2.080 1.00 0.00 N ATOM 1016 CA MET A 80 15.341 -12.903 1.451 1.00 0.00 C ATOM 1017 C MET A 80 15.751 -11.866 2.498 1.00 0.00 C ATOM 1018 O MET A 80 15.224 -11.858 3.609 1.00 0.00 O ATOM 1019 CB MET A 80 14.329 -12.282 0.485 1.00 0.00 C ATOM 1020 CG MET A 80 14.448 -12.904 -0.908 1.00 0.00 C ATOM 1021 SD MET A 80 13.165 -12.265 -1.972 1.00 0.00 S ATOM 1022 CE MET A 80 14.163 -11.560 -3.273 1.00 0.00 C ATOM 0 H MET A 80 13.762 -13.991 2.297 1.00 0.00 H new ATOM 0 HA MET A 80 16.233 -13.214 0.907 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.319 -12.428 0.867 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.494 -11.206 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.427 -12.683 -1.332 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.368 -13.989 -0.839 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.596 -11.553 -4.204 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.438 -10.539 -3.008 1.00 0.00 H new ATOM 0 HE3 MET A 80 15.066 -12.157 -3.403 1.00 0.00 H new ATOM 1032 N SER A 81 16.688 -11.015 2.106 1.00 0.00 N ATOM 1033 CA SER A 81 17.175 -9.975 2.996 1.00 0.00 C ATOM 1034 C SER A 81 16.077 -8.938 3.240 1.00 0.00 C ATOM 1035 O SER A 81 15.036 -8.965 2.585 1.00 0.00 O ATOM 1036 CB SER A 81 18.425 -9.302 2.426 1.00 0.00 C ATOM 1037 OG SER A 81 19.596 -9.636 3.165 1.00 0.00 O ATOM 0 H SER A 81 17.123 -11.025 1.183 1.00 0.00 H new ATOM 0 HA SER A 81 17.446 -10.437 3.945 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.555 -9.601 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.289 -8.221 2.432 1.00 0.00 H new ATOM 0 HG SER A 81 20.372 -9.188 2.768 1.00 0.00 H new ATOM 1043 N PRO A 82 16.354 -8.024 4.208 1.00 0.00 N ATOM 1044 CA PRO A 82 15.402 -6.979 4.546 1.00 0.00 C ATOM 1045 C PRO A 82 15.382 -5.888 3.473 1.00 0.00 C ATOM 1046 O PRO A 82 14.353 -5.253 3.248 1.00 0.00 O ATOM 1047 CB PRO A 82 15.846 -6.467 5.906 1.00 0.00 C ATOM 1048 CG PRO A 82 17.290 -6.915 6.069 1.00 0.00 C ATOM 1049 CD PRO A 82 17.577 -7.961 5.004 1.00 0.00 C ATOM 0 HA PRO A 82 14.375 -7.343 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.765 -5.381 5.960 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.219 -6.873 6.700 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.967 -6.067 5.963 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.451 -7.329 7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.434 -7.679 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.809 -8.928 5.451 1.00 0.00 H new ATOM 1057 N LEU A 83 16.531 -5.705 2.840 1.00 0.00 N ATOM 1058 CA LEU A 83 16.658 -4.701 1.796 1.00 0.00 C ATOM 1059 C LEU A 83 16.004 -5.220 0.514 1.00 0.00 C ATOM 1060 O LEU A 83 15.136 -4.560 -0.056 1.00 0.00 O ATOM 1061 CB LEU A 83 18.122 -4.295 1.619 1.00 0.00 C ATOM 1062 CG LEU A 83 18.365 -2.917 0.999 1.00 0.00 C ATOM 1063 CD1 LEU A 83 19.815 -2.474 1.201 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.961 -2.901 -0.476 1.00 0.00 C ATOM 0 H LEU A 83 17.382 -6.234 3.029 1.00 0.00 H new ATOM 0 HA LEU A 83 16.130 -3.789 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.607 -4.323 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.613 -5.043 0.997 1.00 0.00 H new ATOM 0 HG LEU A 83 17.732 -2.194 1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 83 19.961 -1.492 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.034 -2.421 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.484 -3.193 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.144 -1.910 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.549 -3.639 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.902 -3.143 -0.566 1.00 0.00 H new ATOM 1076 N GLN A 84 16.446 -6.398 0.097 1.00 0.00 N ATOM 1077 CA GLN A 84 15.915 -7.012 -1.108 1.00 0.00 C ATOM 1078 C GLN A 84 14.387 -6.933 -1.115 1.00 0.00 C ATOM 1079 O GLN A 84 13.792 -6.425 -2.064 1.00 0.00 O ATOM 1080 CB GLN A 84 16.389 -8.461 -1.239 1.00 0.00 C ATOM 1081 CG GLN A 84 17.859 -8.520 -1.659 1.00 0.00 C ATOM 1082 CD GLN A 84 18.174 -9.840 -2.367 1.00 0.00 C ATOM 1083 OE1 GLN A 84 17.749 -10.093 -3.482 1.00 0.00 O ATOM 1084 NE2 GLN A 84 18.941 -10.664 -1.659 1.00 0.00 N ATOM 0 H GLN A 84 17.165 -6.943 0.572 1.00 0.00 H new ATOM 0 HA GLN A 84 16.292 -6.461 -1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.257 -8.978 -0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.776 -8.983 -1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.086 -7.685 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.496 -8.413 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 84 19.263 -10.390 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.207 -11.570 -2.044 1.00 0.00 H new ATOM 1093 N ARG A 85 13.795 -7.443 -0.045 1.00 0.00 N ATOM 1094 CA ARG A 85 12.348 -7.437 0.084 1.00 0.00 C ATOM 1095 C ARG A 85 11.781 -6.086 -0.356 1.00 0.00 C ATOM 1096 O ARG A 85 11.064 -6.004 -1.353 1.00 0.00 O ATOM 1097 CB ARG A 85 11.922 -7.714 1.527 1.00 0.00 C ATOM 1098 CG ARG A 85 12.196 -9.171 1.909 1.00 0.00 C ATOM 1099 CD ARG A 85 12.256 -9.337 3.429 1.00 0.00 C ATOM 1100 NE ARG A 85 12.746 -10.690 3.771 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.866 -11.152 5.024 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.533 -10.371 6.060 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.320 -12.394 5.240 1.00 0.00 N ATOM 0 H ARG A 85 14.291 -7.863 0.741 1.00 0.00 H new ATOM 0 HA ARG A 85 11.956 -8.226 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.460 -7.050 2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.860 -7.497 1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.414 -9.811 1.500 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.138 -9.496 1.467 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.915 -8.583 3.860 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.267 -9.180 3.860 1.00 0.00 H new ATOM 0 HE ARG A 85 13.009 -11.311 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.188 -9.425 5.896 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.624 -10.722 7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.574 -12.988 4.451 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.411 -12.745 6.193 1.00 0.00 H new ATOM 1117 N HIS A 86 12.125 -5.059 0.407 1.00 0.00 N ATOM 1118 CA HIS A 86 11.660 -3.715 0.108 1.00 0.00 C ATOM 1119 C HIS A 86 12.060 -3.340 -1.320 1.00 0.00 C ATOM 1120 O HIS A 86 11.270 -2.748 -2.054 1.00 0.00 O ATOM 1121 CB HIS A 86 12.173 -2.718 1.149 1.00 0.00 C ATOM 1122 CG HIS A 86 11.594 -2.918 2.529 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.402 -1.876 3.420 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.166 -4.049 3.161 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.882 -2.369 4.535 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.737 -3.716 4.372 1.00 0.00 N ATOM 0 H HIS A 86 12.720 -5.130 1.232 1.00 0.00 H new ATOM 0 HA HIS A 86 10.572 -3.682 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.259 -2.796 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.943 -1.707 0.813 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.175 -5.046 2.746 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.619 -1.804 5.417 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.361 -4.361 5.067 1.00 0.00 H new ATOM 1134 N ARG A 87 13.286 -3.699 -1.671 1.00 0.00 N ATOM 1135 CA ARG A 87 13.800 -3.407 -2.998 1.00 0.00 C ATOM 1136 C ARG A 87 12.834 -3.923 -4.067 1.00 0.00 C ATOM 1137 O ARG A 87 12.402 -3.167 -4.935 1.00 0.00 O ATOM 1138 CB ARG A 87 15.173 -4.048 -3.210 1.00 0.00 C ATOM 1139 CG ARG A 87 15.877 -3.446 -4.428 1.00 0.00 C ATOM 1140 CD ARG A 87 16.871 -4.440 -5.033 1.00 0.00 C ATOM 1141 NE ARG A 87 18.169 -3.772 -5.276 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.259 -4.396 -5.743 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.214 -5.706 -6.021 1.00 0.00 N ATOM 1144 NH2 ARG A 87 20.394 -3.709 -5.933 1.00 0.00 N ATOM 0 H ARG A 87 13.938 -4.190 -1.059 1.00 0.00 H new ATOM 0 HA ARG A 87 13.899 -2.325 -3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.787 -3.902 -2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.059 -5.123 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.138 -3.164 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.400 -2.535 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.008 -5.286 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.477 -4.838 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 87 18.238 -2.774 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.350 -6.228 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.044 -6.181 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.428 -2.712 -5.722 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.224 -4.184 -6.288 1.00 0.00 H new ATOM 1158 N LEU A 88 12.524 -5.208 -3.968 1.00 0.00 N ATOM 1159 CA LEU A 88 11.617 -5.834 -4.916 1.00 0.00 C ATOM 1160 C LEU A 88 10.385 -4.946 -5.098 1.00 0.00 C ATOM 1161 O LEU A 88 9.923 -4.741 -6.219 1.00 0.00 O ATOM 1162 CB LEU A 88 11.288 -7.262 -4.478 1.00 0.00 C ATOM 1163 CG LEU A 88 11.802 -8.378 -5.389 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.916 -9.174 -4.707 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.656 -9.280 -5.853 1.00 0.00 C ATOM 0 H LEU A 88 12.885 -5.832 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 88 12.090 -5.926 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.697 -7.418 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.205 -7.356 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 88 12.232 -7.919 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.263 -9.961 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.745 -8.508 -4.469 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.534 -9.621 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.049 -10.065 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.174 -9.732 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.927 -8.687 -6.405 1.00 0.00 H new ATOM 1177 N VAL A 89 9.886 -4.443 -3.978 1.00 0.00 N ATOM 1178 CA VAL A 89 8.716 -3.582 -4.000 1.00 0.00 C ATOM 1179 C VAL A 89 9.104 -2.215 -4.566 1.00 0.00 C ATOM 1180 O VAL A 89 8.505 -1.747 -5.533 1.00 0.00 O ATOM 1181 CB VAL A 89 8.103 -3.497 -2.600 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.871 -2.589 -2.596 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.759 -4.890 -2.067 1.00 0.00 C ATOM 0 H VAL A 89 10.271 -4.616 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 89 7.948 -3.998 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 89 8.846 -3.057 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.454 -2.546 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.157 -1.586 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.123 -2.988 -3.282 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.325 -4.802 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.042 -5.368 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.665 -5.494 -2.016 1.00 0.00 H new ATOM 1193 N HIS A 90 10.105 -1.613 -3.940 1.00 0.00 N ATOM 1194 CA HIS A 90 10.580 -0.309 -4.370 1.00 0.00 C ATOM 1195 C HIS A 90 10.776 -0.309 -5.887 1.00 0.00 C ATOM 1196 O HIS A 90 10.509 0.691 -6.551 1.00 0.00 O ATOM 1197 CB HIS A 90 11.846 0.086 -3.608 1.00 0.00 C ATOM 1198 CG HIS A 90 11.629 0.314 -2.131 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.480 0.369 -1.398 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 12.670 0.519 -1.243 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.802 0.594 -0.130 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 12.159 0.688 -0.032 1.00 0.00 N flip ATOM 0 H HIS A 90 10.600 -2.004 -3.139 1.00 0.00 H new ATOM 0 HA HIS A 90 9.833 0.450 -4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.595 -0.696 -3.738 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.254 0.995 -4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.720 0.538 -1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.104 0.687 0.689 1.00 0.00 H new ATOM 0 HE2 HIS A 90 12.688 0.858 0.823 1.00 0.00 H new ATOM 1210 N GLU A 91 11.242 -1.442 -6.391 1.00 0.00 N ATOM 1211 CA GLU A 91 11.478 -1.585 -7.818 1.00 0.00 C ATOM 1212 C GLU A 91 10.170 -1.412 -8.592 1.00 0.00 C ATOM 1213 O GLU A 91 10.124 -0.691 -9.588 1.00 0.00 O ATOM 1214 CB GLU A 91 12.127 -2.934 -8.134 1.00 0.00 C ATOM 1215 CG GLU A 91 13.547 -2.747 -8.672 1.00 0.00 C ATOM 1216 CD GLU A 91 13.883 -3.814 -9.716 1.00 0.00 C ATOM 1217 OE1 GLU A 91 12.995 -4.090 -10.551 1.00 0.00 O ATOM 1218 OE2 GLU A 91 15.020 -4.329 -9.655 1.00 0.00 O ATOM 0 H GLU A 91 11.463 -2.270 -5.837 1.00 0.00 H new ATOM 0 HA GLU A 91 12.170 -0.803 -8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.153 -3.549 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.524 -3.469 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.644 -1.756 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.261 -2.800 -7.850 1.00 0.00 H new ATOM 1225 N ALA A 92 9.137 -2.085 -8.105 1.00 0.00 N ATOM 1226 CA ALA A 92 7.832 -2.014 -8.738 1.00 0.00 C ATOM 1227 C ALA A 92 7.192 -0.659 -8.429 1.00 0.00 C ATOM 1228 O ALA A 92 6.563 -0.053 -9.295 1.00 0.00 O ATOM 1229 CB ALA A 92 6.971 -3.187 -8.266 1.00 0.00 C ATOM 0 H ALA A 92 9.178 -2.682 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 92 7.926 -2.094 -9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.991 -3.134 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.455 -4.126 -8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.852 -3.139 -7.184 1.00 0.00 H new ATOM 1235 N LEU A 93 7.375 -0.223 -7.191 1.00 0.00 N ATOM 1236 CA LEU A 93 6.823 1.049 -6.756 1.00 0.00 C ATOM 1237 C LEU A 93 7.962 2.051 -6.556 1.00 0.00 C ATOM 1238 O LEU A 93 8.075 2.664 -5.496 1.00 0.00 O ATOM 1239 CB LEU A 93 5.948 0.857 -5.516 1.00 0.00 C ATOM 1240 CG LEU A 93 4.794 -0.138 -5.657 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.155 -0.044 -7.044 1.00 0.00 C ATOM 1242 CD2 LEU A 93 5.255 -1.561 -5.334 1.00 0.00 C ATOM 0 H LEU A 93 7.898 -0.728 -6.475 1.00 0.00 H new ATOM 0 HA LEU A 93 6.165 1.461 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.585 0.531 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.534 1.825 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 93 4.026 0.125 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.338 -0.762 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.768 0.963 -7.199 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.903 -0.267 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.416 -2.249 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU A 93 6.051 -1.850 -6.020 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.626 -1.600 -4.310 1.00 0.00 H new ATOM 1254 N SER A 94 8.776 2.188 -7.593 1.00 0.00 N ATOM 1255 CA SER A 94 9.901 3.106 -7.544 1.00 0.00 C ATOM 1256 C SER A 94 9.408 4.547 -7.693 1.00 0.00 C ATOM 1257 O SER A 94 9.794 5.422 -6.920 1.00 0.00 O ATOM 1258 CB SER A 94 10.925 2.780 -8.633 1.00 0.00 C ATOM 1259 OG SER A 94 10.309 2.249 -9.803 1.00 0.00 O ATOM 0 H SER A 94 8.679 1.679 -8.471 1.00 0.00 H new ATOM 0 HA SER A 94 10.391 2.995 -6.577 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.478 3.683 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.649 2.062 -8.247 1.00 0.00 H new ATOM 0 HG SER A 94 10.251 1.274 -9.728 1.00 0.00 H new ATOM 1265 N GLU A 95 8.563 4.748 -8.693 1.00 0.00 N ATOM 1266 CA GLU A 95 8.013 6.068 -8.954 1.00 0.00 C ATOM 1267 C GLU A 95 7.077 6.487 -7.818 1.00 0.00 C ATOM 1268 O GLU A 95 6.704 7.654 -7.716 1.00 0.00 O ATOM 1269 CB GLU A 95 7.289 6.104 -10.301 1.00 0.00 C ATOM 1270 CG GLU A 95 8.208 6.636 -11.403 1.00 0.00 C ATOM 1271 CD GLU A 95 7.462 7.614 -12.314 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.420 7.196 -12.863 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.951 8.757 -12.440 1.00 0.00 O ATOM 0 H GLU A 95 8.246 4.019 -9.332 1.00 0.00 H new ATOM 0 HA GLU A 95 8.837 6.780 -9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.946 5.102 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.403 6.735 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.068 7.134 -10.955 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.593 5.805 -11.994 1.00 0.00 H new ATOM 1280 N GLU A 96 6.727 5.512 -6.993 1.00 0.00 N ATOM 1281 CA GLU A 96 5.842 5.765 -5.868 1.00 0.00 C ATOM 1282 C GLU A 96 6.616 6.418 -4.721 1.00 0.00 C ATOM 1283 O GLU A 96 6.139 7.375 -4.113 1.00 0.00 O ATOM 1284 CB GLU A 96 5.161 4.475 -5.405 1.00 0.00 C ATOM 1285 CG GLU A 96 4.427 3.796 -6.564 1.00 0.00 C ATOM 1286 CD GLU A 96 3.199 4.606 -6.985 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.017 5.701 -6.409 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.471 4.113 -7.873 1.00 0.00 O ATOM 0 H GLU A 96 7.040 4.545 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 96 5.061 6.453 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.906 3.794 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.456 4.699 -4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.103 3.686 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.121 2.793 -6.268 1.00 0.00 H new ATOM 1295 N LEU A 97 7.796 5.875 -4.461 1.00 0.00 N ATOM 1296 CA LEU A 97 8.640 6.394 -3.398 1.00 0.00 C ATOM 1297 C LEU A 97 9.674 7.351 -3.994 1.00 0.00 C ATOM 1298 O LEU A 97 10.548 7.847 -3.285 1.00 0.00 O ATOM 1299 CB LEU A 97 9.256 5.246 -2.595 1.00 0.00 C ATOM 1300 CG LEU A 97 8.304 4.112 -2.207 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.982 2.750 -2.364 1.00 0.00 C ATOM 1302 CD2 LEU A 97 7.752 4.318 -0.795 1.00 0.00 C ATOM 0 H LEU A 97 8.188 5.081 -4.968 1.00 0.00 H new ATOM 0 HA LEU A 97 8.047 6.968 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.076 4.823 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.689 5.658 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 97 7.455 4.130 -2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.284 1.962 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.285 2.612 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.860 2.704 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.079 3.498 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.576 4.341 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.208 5.261 -0.751 1.00 0.00 H new ATOM 1314 N ALA A 98 9.540 7.581 -5.292 1.00 0.00 N ATOM 1315 CA ALA A 98 10.452 8.470 -5.992 1.00 0.00 C ATOM 1316 C ALA A 98 9.664 9.641 -6.582 1.00 0.00 C ATOM 1317 O ALA A 98 9.932 10.073 -7.702 1.00 0.00 O ATOM 1318 CB ALA A 98 11.214 7.683 -7.060 1.00 0.00 C ATOM 0 H ALA A 98 8.814 7.167 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 98 11.189 8.883 -5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.898 8.350 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.781 6.882 -6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.507 7.256 -7.771 1.00 0.00 H new ATOM 1324 N GLY A 99 8.706 10.122 -5.802 1.00 0.00 N ATOM 1325 CA GLY A 99 7.877 11.234 -6.233 1.00 0.00 C ATOM 1326 C GLY A 99 6.856 11.606 -5.157 1.00 0.00 C ATOM 1327 O GLY A 99 7.077 12.534 -4.380 1.00 0.00 O ATOM 0 H GLY A 99 8.486 9.761 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.506 12.096 -6.456 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.359 10.970 -7.155 1.00 0.00 H new ATOM 1331 N PRO A 100 5.729 10.844 -5.145 1.00 0.00 N ATOM 1332 CA PRO A 100 4.673 11.084 -4.177 1.00 0.00 C ATOM 1333 C PRO A 100 5.074 10.575 -2.790 1.00 0.00 C ATOM 1334 O PRO A 100 5.396 11.365 -1.904 1.00 0.00 O ATOM 1335 CB PRO A 100 3.454 10.373 -4.740 1.00 0.00 C ATOM 1336 CG PRO A 100 3.985 9.378 -5.759 1.00 0.00 C ATOM 1337 CD PRO A 100 5.433 9.737 -6.049 1.00 0.00 C ATOM 0 HA PRO A 100 4.468 12.145 -4.033 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.899 9.865 -3.951 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.769 11.082 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.914 8.361 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.392 9.414 -6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.095 8.890 -5.868 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.567 10.029 -7.090 1.00 0.00 H new ATOM 1345 N VAL A 101 5.041 9.258 -2.646 1.00 0.00 N ATOM 1346 CA VAL A 101 5.397 8.635 -1.383 1.00 0.00 C ATOM 1347 C VAL A 101 6.844 8.991 -1.033 1.00 0.00 C ATOM 1348 O VAL A 101 7.718 8.972 -1.898 1.00 0.00 O ATOM 1349 CB VAL A 101 5.154 7.126 -1.457 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.169 6.499 -0.061 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.843 6.817 -2.183 1.00 0.00 C ATOM 0 H VAL A 101 4.773 8.606 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 101 4.766 9.014 -0.579 1.00 0.00 H new ATOM 0 HB VAL A 101 5.968 6.683 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.994 5.426 -0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.138 6.674 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.386 6.949 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.694 5.738 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.013 7.279 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.886 7.214 -3.197 1.00 0.00 H new ATOM 1361 N HIS A 102 7.051 9.307 0.237 1.00 0.00 N ATOM 1362 CA HIS A 102 8.377 9.666 0.712 1.00 0.00 C ATOM 1363 C HIS A 102 8.873 8.607 1.699 1.00 0.00 C ATOM 1364 O HIS A 102 10.057 8.277 1.717 1.00 0.00 O ATOM 1365 CB HIS A 102 8.377 11.076 1.305 1.00 0.00 C ATOM 1366 CG HIS A 102 8.068 12.164 0.304 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.744 12.091 -1.020 1.00 0.00 N flip ATOM 1368 CD2 HIS A 102 8.073 13.508 0.631 1.00 0.00 C flip ATOM 1369 CE1 HIS A 102 7.561 13.324 -1.475 1.00 0.00 C flip ATOM 1370 NE2 HIS A 102 7.765 14.204 -0.453 1.00 0.00 N flip ATOM 0 H HIS A 102 6.323 9.322 0.952 1.00 0.00 H new ATOM 0 HA HIS A 102 9.075 9.686 -0.125 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.645 11.120 2.111 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.353 11.272 1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.291 13.920 1.605 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.294 13.587 -2.488 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.693 15.220 -0.513 1.00 0.00 H new ATOM 1378 N ALA A 103 7.941 8.105 2.496 1.00 0.00 N ATOM 1379 CA ALA A 103 8.269 7.091 3.483 1.00 0.00 C ATOM 1380 C ALA A 103 7.048 6.198 3.716 1.00 0.00 C ATOM 1381 O ALA A 103 5.989 6.680 4.115 1.00 0.00 O ATOM 1382 CB ALA A 103 8.750 7.767 4.769 1.00 0.00 C ATOM 0 H ALA A 103 6.959 8.382 2.478 1.00 0.00 H new ATOM 0 HA ALA A 103 9.079 6.456 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.996 7.006 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.635 8.366 4.556 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.961 8.411 5.158 1.00 0.00 H new ATOM 1388 N LEU A 104 7.237 4.913 3.456 1.00 0.00 N ATOM 1389 CA LEU A 104 6.164 3.949 3.631 1.00 0.00 C ATOM 1390 C LEU A 104 6.726 2.680 4.275 1.00 0.00 C ATOM 1391 O LEU A 104 7.731 2.139 3.817 1.00 0.00 O ATOM 1392 CB LEU A 104 5.446 3.699 2.304 1.00 0.00 C ATOM 1393 CG LEU A 104 5.391 2.243 1.834 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.453 1.417 2.716 1.00 0.00 C ATOM 1395 CD2 LEU A 104 5.010 2.158 0.355 1.00 0.00 C ATOM 0 H LEU A 104 8.117 4.517 3.126 1.00 0.00 H new ATOM 0 HA LEU A 104 5.405 4.342 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.425 4.071 2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.936 4.291 1.531 1.00 0.00 H new ATOM 0 HG LEU A 104 6.388 1.814 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.432 0.387 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.809 1.438 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.448 1.837 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.978 1.113 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.030 2.610 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.750 2.690 -0.243 1.00 0.00 H new ATOM 1407 N ALA A 105 6.051 2.240 5.328 1.00 0.00 N ATOM 1408 CA ALA A 105 6.471 1.045 6.039 1.00 0.00 C ATOM 1409 C ALA A 105 5.942 -0.191 5.307 1.00 0.00 C ATOM 1410 O ALA A 105 4.775 -0.550 5.452 1.00 0.00 O ATOM 1411 CB ALA A 105 5.984 1.116 7.488 1.00 0.00 C ATOM 0 H ALA A 105 5.217 2.690 5.705 1.00 0.00 H new ATOM 0 HA ALA A 105 7.558 0.975 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.299 0.219 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.409 1.995 7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.896 1.184 7.503 1.00 0.00 H new ATOM 1417 N ILE A 106 6.828 -0.806 4.538 1.00 0.00 N ATOM 1418 CA ILE A 106 6.465 -1.994 3.783 1.00 0.00 C ATOM 1419 C ILE A 106 6.649 -3.230 4.666 1.00 0.00 C ATOM 1420 O ILE A 106 7.700 -3.409 5.278 1.00 0.00 O ATOM 1421 CB ILE A 106 7.249 -2.054 2.470 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.142 -0.733 1.706 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.803 -3.245 1.620 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.794 -0.842 0.327 1.00 0.00 C ATOM 0 H ILE A 106 7.795 -0.505 4.421 1.00 0.00 H new ATOM 0 HA ILE A 106 5.413 -1.959 3.499 1.00 0.00 H new ATOM 0 HB ILE A 106 8.302 -2.204 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.093 -0.457 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.622 0.061 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.375 -3.265 0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.973 -4.170 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.742 -3.150 1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.704 0.111 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.848 -1.094 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.296 -1.620 -0.251 1.00 0.00 H new ATOM 1436 N GLN A 107 5.609 -4.050 4.704 1.00 0.00 N ATOM 1437 CA GLN A 107 5.642 -5.264 5.501 1.00 0.00 C ATOM 1438 C GLN A 107 5.887 -6.481 4.607 1.00 0.00 C ATOM 1439 O GLN A 107 4.967 -6.971 3.954 1.00 0.00 O ATOM 1440 CB GLN A 107 4.352 -5.427 6.307 1.00 0.00 C ATOM 1441 CG GLN A 107 4.656 -5.766 7.767 1.00 0.00 C ATOM 1442 CD GLN A 107 3.747 -4.979 8.714 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.216 -5.712 9.688 1.00 0.00 O flip ATOM 1444 NE2 GLN A 107 3.542 -3.785 8.569 1.00 0.00 N flip ATOM 0 H GLN A 107 4.738 -3.897 4.195 1.00 0.00 H new ATOM 0 HA GLN A 107 6.467 -5.186 6.209 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.770 -4.507 6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.741 -6.215 5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.520 -6.835 7.932 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.699 -5.540 7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.982 -3.282 7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.931 -3.290 9.218 1.00 0.00 H new ATOM 1453 N ALA A 108 7.132 -6.934 4.605 1.00 0.00 N ATOM 1454 CA ALA A 108 7.510 -8.084 3.801 1.00 0.00 C ATOM 1455 C ALA A 108 7.504 -9.337 4.678 1.00 0.00 C ATOM 1456 O ALA A 108 8.405 -9.534 5.493 1.00 0.00 O ATOM 1457 CB ALA A 108 8.873 -7.830 3.155 1.00 0.00 C ATOM 0 H ALA A 108 7.893 -6.525 5.148 1.00 0.00 H new ATOM 0 HA ALA A 108 6.793 -8.242 2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.156 -8.693 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.815 -6.946 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.620 -7.670 3.932 1.00 0.00 H new ATOM 1463 N LYS A 109 6.479 -10.154 4.482 1.00 0.00 N ATOM 1464 CA LYS A 109 6.345 -11.383 5.245 1.00 0.00 C ATOM 1465 C LYS A 109 6.074 -12.545 4.288 1.00 0.00 C ATOM 1466 O LYS A 109 5.866 -12.335 3.094 1.00 0.00 O ATOM 1467 CB LYS A 109 5.282 -11.224 6.335 1.00 0.00 C ATOM 1468 CG LYS A 109 5.504 -9.937 7.132 1.00 0.00 C ATOM 1469 CD LYS A 109 5.420 -10.203 8.637 1.00 0.00 C ATOM 1470 CE LYS A 109 5.542 -8.901 9.431 1.00 0.00 C ATOM 1471 NZ LYS A 109 6.027 -9.174 10.802 1.00 0.00 N ATOM 0 H LYS A 109 5.734 -9.989 3.806 1.00 0.00 H new ATOM 0 HA LYS A 109 7.274 -11.610 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.291 -11.209 5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.313 -12.082 7.006 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.480 -9.517 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.757 -9.196 6.848 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.473 -10.689 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.213 -10.890 8.933 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.228 -8.222 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.574 -8.402 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.104 -8.280 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.358 -9.804 11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.961 -9.630 10.756 1.00 0.00 H new ATOM 1485 N THR A 110 6.087 -13.746 4.847 1.00 0.00 N ATOM 1486 CA THR A 110 5.845 -14.942 4.058 1.00 0.00 C ATOM 1487 C THR A 110 4.496 -15.562 4.428 1.00 0.00 C ATOM 1488 O THR A 110 3.899 -15.200 5.440 1.00 0.00 O ATOM 1489 CB THR A 110 7.027 -15.891 4.265 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.497 -15.581 5.574 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.212 -15.559 3.356 1.00 0.00 C ATOM 0 H THR A 110 6.261 -13.917 5.837 1.00 0.00 H new ATOM 0 HA THR A 110 5.779 -14.708 2.995 1.00 0.00 H new ATOM 0 HB THR A 110 6.705 -16.916 4.081 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.263 -16.153 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.023 -16.263 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.902 -15.632 2.313 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.556 -14.545 3.562 1.00 0.00 H new ATOM 1499 N PRO A 111 4.043 -16.510 3.564 1.00 0.00 N ATOM 1500 CA PRO A 111 2.776 -17.183 3.790 1.00 0.00 C ATOM 1501 C PRO A 111 2.895 -18.214 4.914 1.00 0.00 C ATOM 1502 O PRO A 111 1.921 -18.887 5.250 1.00 0.00 O ATOM 1503 CB PRO A 111 2.416 -17.804 2.450 1.00 0.00 C ATOM 1504 CG PRO A 111 3.709 -17.852 1.652 1.00 0.00 C ATOM 1505 CD PRO A 111 4.723 -16.964 2.355 1.00 0.00 C ATOM 0 HA PRO A 111 1.992 -16.503 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.001 -18.803 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.661 -17.210 1.935 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.079 -18.875 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.541 -17.507 0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.632 -17.515 2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.016 -16.123 1.726 1.00 0.00 H new ATOM 1513 N ALA A 112 4.097 -18.307 5.463 1.00 0.00 N ATOM 1514 CA ALA A 112 4.356 -19.245 6.542 1.00 0.00 C ATOM 1515 C ALA A 112 4.394 -18.489 7.872 1.00 0.00 C ATOM 1516 O ALA A 112 4.087 -19.053 8.920 1.00 0.00 O ATOM 1517 CB ALA A 112 5.659 -19.997 6.263 1.00 0.00 C ATOM 0 H ALA A 112 4.902 -17.748 5.181 1.00 0.00 H new ATOM 0 HA ALA A 112 3.559 -19.985 6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.853 -20.701 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.571 -20.541 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.482 -19.286 6.195 1.00 0.00 H new ATOM 1523 N GLN A 113 4.773 -17.222 7.785 1.00 0.00 N ATOM 1524 CA GLN A 113 4.855 -16.382 8.968 1.00 0.00 C ATOM 1525 C GLN A 113 3.518 -15.680 9.214 1.00 0.00 C ATOM 1526 O GLN A 113 3.075 -15.562 10.355 1.00 0.00 O ATOM 1527 CB GLN A 113 5.992 -15.367 8.843 1.00 0.00 C ATOM 1528 CG GLN A 113 7.354 -16.065 8.867 1.00 0.00 C ATOM 1529 CD GLN A 113 8.142 -15.685 10.122 1.00 0.00 C ATOM 1530 OE1 GLN A 113 7.646 -15.030 11.024 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.395 -16.133 10.130 1.00 0.00 N ATOM 0 H GLN A 113 5.027 -16.757 6.913 1.00 0.00 H new ATOM 0 HA GLN A 113 5.073 -17.018 9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.883 -14.806 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.934 -14.647 9.660 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.214 -17.145 8.834 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.923 -15.791 7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.747 -16.676 9.342 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.003 -15.933 10.924 1.00 0.00 H new ATOM 1540 N TRP A 114 2.912 -15.231 8.124 1.00 0.00 N ATOM 1541 CA TRP A 114 1.635 -14.543 8.207 1.00 0.00 C ATOM 1542 C TRP A 114 0.677 -15.422 9.014 1.00 0.00 C ATOM 1543 O TRP A 114 -0.132 -14.914 9.790 1.00 0.00 O ATOM 1544 CB TRP A 114 1.104 -14.203 6.813 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.276 -13.542 6.817 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.467 -14.118 6.602 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.561 -12.148 7.057 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.494 -13.201 6.686 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.926 -11.965 6.971 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.306 -11.077 7.337 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.545 -10.722 7.152 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.328 -9.842 7.515 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.701 -9.641 7.433 1.00 0.00 C ATOM 0 H TRP A 114 3.282 -15.330 7.179 1.00 0.00 H new ATOM 0 HA TRP A 114 1.744 -13.586 8.718 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.812 -13.539 6.318 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.056 -15.117 6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.605 -15.168 6.390 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.488 -13.394 6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.377 -11.198 7.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.616 -10.604 7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.293 -8.985 7.731 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.115 -8.655 7.585 1.00 0.00 H new ATOM 1564 N ARG A 115 0.799 -16.724 8.803 1.00 0.00 N ATOM 1565 CA ARG A 115 -0.047 -17.677 9.501 1.00 0.00 C ATOM 1566 C ARG A 115 0.099 -17.507 11.015 1.00 0.00 C ATOM 1567 O ARG A 115 -0.895 -17.368 11.726 1.00 0.00 O ATOM 1568 CB ARG A 115 0.313 -19.115 9.120 1.00 0.00 C ATOM 1569 CG ARG A 115 -0.005 -19.387 7.648 1.00 0.00 C ATOM 1570 CD ARG A 115 0.385 -20.814 7.257 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.543 -21.782 7.883 1.00 0.00 N ATOM 1572 CZ ARG A 115 -0.384 -22.287 9.114 1.00 0.00 C ATOM 1573 NH1 ARG A 115 0.668 -21.919 9.859 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -1.277 -23.159 9.601 1.00 0.00 N ATOM 0 H ARG A 115 1.471 -17.141 8.159 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.078 -17.482 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.373 -19.290 9.305 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.240 -19.812 9.750 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.069 -19.235 7.468 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.530 -18.675 7.019 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.360 -20.923 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.407 -21.020 7.574 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.354 -22.084 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.348 -21.254 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.789 -22.303 10.796 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.078 -23.439 9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.156 -23.543 10.538 1.00 0.00 H new ATOM 1588 N GLU A 116 1.346 -17.524 11.463 1.00 0.00 N ATOM 1589 CA GLU A 116 1.635 -17.373 12.879 1.00 0.00 C ATOM 1590 C GLU A 116 0.917 -16.143 13.439 1.00 0.00 C ATOM 1591 O GLU A 116 0.158 -16.247 14.401 1.00 0.00 O ATOM 1592 CB GLU A 116 3.142 -17.288 13.125 1.00 0.00 C ATOM 1593 CG GLU A 116 3.729 -18.670 13.415 1.00 0.00 C ATOM 1594 CD GLU A 116 4.133 -18.797 14.886 1.00 0.00 C ATOM 1595 OE1 GLU A 116 5.220 -18.280 15.223 1.00 0.00 O ATOM 1596 OE2 GLU A 116 3.344 -19.407 15.640 1.00 0.00 O ATOM 0 H GLU A 116 2.168 -17.640 10.870 1.00 0.00 H new ATOM 0 HA GLU A 116 1.265 -18.255 13.402 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.633 -16.856 12.253 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.340 -16.621 13.964 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.997 -19.439 13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.598 -18.841 12.780 1.00 0.00 H new ATOM 1603 N ASN A 117 1.183 -15.006 12.812 1.00 0.00 N ATOM 1604 CA ASN A 117 0.572 -13.758 13.236 1.00 0.00 C ATOM 1605 C ASN A 117 0.191 -12.937 12.002 1.00 0.00 C ATOM 1606 O ASN A 117 0.962 -12.089 11.554 1.00 0.00 O ATOM 1607 CB ASN A 117 1.544 -12.926 14.076 1.00 0.00 C ATOM 1608 CG ASN A 117 0.809 -11.808 14.818 1.00 0.00 C ATOM 1609 OD1 ASN A 117 -0.406 -11.704 14.791 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.612 -10.981 15.481 1.00 0.00 N ATOM 0 H ASN A 117 1.813 -14.923 12.014 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.307 -13.999 13.834 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.053 -13.570 14.793 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.311 -12.497 13.432 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.218 -10.202 16.009 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.622 -11.126 15.462 1.00 0.00 H new ATOM 1617 N PRO A 118 -1.028 -13.225 11.474 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.521 -12.523 10.301 1.00 0.00 C ATOM 1619 C PRO A 118 -1.972 -11.105 10.660 1.00 0.00 C ATOM 1620 O PRO A 118 -2.434 -10.360 9.797 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.651 -13.389 9.770 1.00 0.00 C ATOM 1622 CG PRO A 118 -3.056 -14.298 10.920 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.968 -14.222 11.979 1.00 0.00 C ATOM 0 HA PRO A 118 -0.753 -12.384 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.491 -12.777 9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.325 -13.971 8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.015 -13.986 11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.178 -15.323 10.571 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.376 -13.927 12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.483 -15.188 12.119 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.822 -10.775 11.934 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.208 -9.461 12.417 1.00 0.00 C ATOM 1633 C GLN A 119 -1.078 -8.456 12.183 1.00 0.00 C ATOM 1634 O GLN A 119 0.027 -8.629 12.695 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.598 -9.513 13.896 1.00 0.00 C ATOM 1636 CG GLN A 119 -2.944 -8.118 14.421 1.00 0.00 C ATOM 1637 CD GLN A 119 -2.769 -8.044 15.939 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -2.212 -8.928 16.569 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -3.275 -6.944 16.490 1.00 0.00 N ATOM 0 H GLN A 119 -1.438 -11.396 12.647 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.083 -9.132 11.856 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -3.452 -10.177 14.027 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.777 -9.931 14.478 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.305 -7.376 13.941 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.972 -7.871 14.158 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -3.729 -6.243 15.905 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -3.209 -6.802 17.498 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.394 -7.428 11.410 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.419 -6.396 11.101 1.00 0.00 C ATOM 1650 C LEU A 120 -0.372 -5.386 12.250 1.00 0.00 C ATOM 1651 O LEU A 120 -1.083 -5.535 13.242 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.718 -5.765 9.740 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.503 -6.666 8.522 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.384 -6.225 7.351 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.977 -6.722 8.136 1.00 0.00 C ATOM 0 H LEU A 120 -2.312 -7.287 10.988 1.00 0.00 H new ATOM 0 HA LEU A 120 0.578 -6.828 11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.754 -5.426 9.738 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.093 -4.879 9.627 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.805 -7.679 8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.212 -6.882 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.432 -6.278 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.136 -5.200 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.102 -7.369 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.328 -5.719 7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.556 -7.118 8.970 1.00 0.00 H new ATOM 1667 N ASP A 121 0.473 -4.379 12.076 1.00 0.00 N ATOM 1668 CA ASP A 121 0.622 -3.345 13.086 1.00 0.00 C ATOM 1669 C ASP A 121 0.570 -1.972 12.413 1.00 0.00 C ATOM 1670 O ASP A 121 1.565 -1.513 11.854 1.00 0.00 O ATOM 1671 CB ASP A 121 1.965 -3.469 13.807 1.00 0.00 C ATOM 1672 CG ASP A 121 2.041 -4.590 14.845 1.00 0.00 C ATOM 1673 OD1 ASP A 121 2.210 -5.751 14.415 1.00 0.00 O ATOM 1674 OD2 ASP A 121 1.929 -4.260 16.045 1.00 0.00 O ATOM 0 H ASP A 121 1.061 -4.258 11.251 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.186 -3.459 13.809 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.746 -3.629 13.064 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.184 -2.522 14.300 1.00 0.00 H new ATOM 1679 N ILE A 122 -0.599 -1.354 12.490 1.00 0.00 N ATOM 1680 CA ILE A 122 -0.793 -0.042 11.896 1.00 0.00 C ATOM 1681 C ILE A 122 -1.062 0.980 13.003 1.00 0.00 C ATOM 1682 O ILE A 122 -0.183 1.766 13.353 1.00 0.00 O ATOM 1683 CB ILE A 122 -1.888 -0.094 10.828 1.00 0.00 C ATOM 1684 CG1 ILE A 122 -1.662 -1.263 9.868 1.00 0.00 C ATOM 1685 CG2 ILE A 122 -1.997 1.242 10.090 1.00 0.00 C ATOM 1686 CD1 ILE A 122 -2.574 -1.152 8.644 1.00 0.00 C ATOM 0 H ILE A 122 -1.422 -1.737 12.955 1.00 0.00 H new ATOM 0 HA ILE A 122 0.111 0.279 11.378 1.00 0.00 H new ATOM 0 HB ILE A 122 -2.843 -0.266 11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -0.620 -1.280 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -1.853 -2.204 10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -2.782 1.178 9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -2.239 2.032 10.801 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -1.047 1.469 9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.393 -1.995 7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -3.616 -1.160 8.965 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.364 -0.222 8.117 1.00 0.00 H new ATOM 1698 N SER A 123 -2.280 0.935 13.523 1.00 0.00 N ATOM 1699 CA SER A 123 -2.675 1.847 14.583 1.00 0.00 C ATOM 1700 C SER A 123 -3.237 1.059 15.768 1.00 0.00 C ATOM 1701 O SER A 123 -3.899 0.040 15.582 1.00 0.00 O ATOM 1702 CB SER A 123 -3.706 2.860 14.081 1.00 0.00 C ATOM 1703 OG SER A 123 -5.021 2.312 14.049 1.00 0.00 O ATOM 0 H SER A 123 -3.006 0.281 13.230 1.00 0.00 H new ATOM 0 HA SER A 123 -1.793 2.398 14.908 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.695 3.739 14.726 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.428 3.195 13.082 1.00 0.00 H new ATOM 0 HG SER A 123 -5.650 2.990 13.725 1.00 0.00 H new ATOM 1709 N PRO A 124 -2.945 1.576 16.992 1.00 0.00 N ATOM 1710 CA PRO A 124 -3.414 0.932 18.207 1.00 0.00 C ATOM 1711 C PRO A 124 -4.908 1.184 18.419 1.00 0.00 C ATOM 1712 O PRO A 124 -5.352 2.331 18.433 1.00 0.00 O ATOM 1713 CB PRO A 124 -2.551 1.510 19.316 1.00 0.00 C ATOM 1714 CG PRO A 124 -1.951 2.789 18.755 1.00 0.00 C ATOM 1715 CD PRO A 124 -2.163 2.782 17.250 1.00 0.00 C ATOM 0 HA PRO A 124 -3.320 -0.153 18.172 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -3.145 1.715 20.206 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -1.770 0.808 19.609 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -2.425 3.662 19.203 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -0.888 2.848 18.991 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -2.693 3.676 16.920 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -1.213 2.760 16.716 1.00 0.00 H new ATOM 1723 N PRO A 125 -5.662 0.064 18.583 1.00 0.00 N ATOM 1724 CA PRO A 125 -7.097 0.152 18.794 1.00 0.00 C ATOM 1725 C PRO A 125 -7.415 0.617 20.217 1.00 0.00 C ATOM 1726 O PRO A 125 -6.509 0.923 20.991 1.00 0.00 O ATOM 1727 CB PRO A 125 -7.625 -1.241 18.492 1.00 0.00 C ATOM 1728 CG PRO A 125 -6.425 -2.169 18.576 1.00 0.00 C ATOM 1729 CD PRO A 125 -5.171 -1.310 18.573 1.00 0.00 C ATOM 0 HA PRO A 125 -7.572 0.892 18.150 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -8.394 -1.531 19.208 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -8.080 -1.280 17.502 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -6.472 -2.773 19.482 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -6.417 -2.860 17.733 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.549 -1.514 19.445 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -4.559 -1.505 17.692 1.00 0.00 H new ATOM 1737 N CYS A 126 -8.705 0.655 20.519 1.00 0.00 N ATOM 1738 CA CYS A 126 -9.153 1.077 21.835 1.00 0.00 C ATOM 1739 C CYS A 126 -10.299 0.161 22.269 1.00 0.00 C ATOM 1740 O CYS A 126 -11.468 0.482 22.061 1.00 0.00 O ATOM 1741 CB CYS A 126 -9.565 2.551 21.846 1.00 0.00 C ATOM 1742 SG CYS A 126 -8.098 3.613 21.587 1.00 0.00 S ATOM 0 H CYS A 126 -9.454 0.400 19.875 1.00 0.00 H new ATOM 0 HA CYS A 126 -8.332 0.992 22.547 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -10.301 2.737 21.064 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -10.039 2.797 22.796 1.00 0.00 H new ATOM 0 HG CYS A 126 -7.048 2.867 21.412 1.00 0.00 H new ATOM 1748 N LEU A 127 -9.923 -0.962 22.864 1.00 0.00 N ATOM 1749 CA LEU A 127 -10.905 -1.927 23.329 1.00 0.00 C ATOM 1750 C LEU A 127 -10.586 -2.316 24.774 1.00 0.00 C ATOM 1751 O LEU A 127 -11.399 -2.100 25.672 1.00 0.00 O ATOM 1752 CB LEU A 127 -10.978 -3.119 22.373 1.00 0.00 C ATOM 1753 CG LEU A 127 -12.342 -3.382 21.731 1.00 0.00 C ATOM 1754 CD1 LEU A 127 -12.612 -2.393 20.595 1.00 0.00 C ATOM 1755 CD2 LEU A 127 -12.459 -4.835 21.266 1.00 0.00 C ATOM 0 H LEU A 127 -8.952 -1.225 23.035 1.00 0.00 H new ATOM 0 HA LEU A 127 -11.902 -1.487 23.330 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -10.248 -2.967 21.578 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -10.676 -4.014 22.916 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.112 -3.224 22.487 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.587 -2.601 20.155 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -12.600 -1.376 20.987 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -11.841 -2.496 19.832 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -13.438 -4.995 20.814 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -11.681 -5.046 20.532 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.341 -5.501 22.121 1.00 0.00 H new ATOM 1767 N GLY A 128 -9.402 -2.882 24.953 1.00 0.00 N ATOM 1768 CA GLY A 128 -8.966 -3.303 26.274 1.00 0.00 C ATOM 1769 C GLY A 128 -7.498 -3.733 26.256 1.00 0.00 C ATOM 1770 O GLY A 128 -6.658 -3.110 26.904 1.00 0.00 O ATOM 0 H GLY A 128 -8.731 -3.059 24.206 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -9.101 -2.486 26.983 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.587 -4.130 26.619 1.00 0.00 H new TER 1774 GLY A 128