USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HD1:sc= -8.96! C(o=-8.1!,f=-12!) USER MOD Set 1.2: A 16 THR OG1 : rot 54:sc= 0.892 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= -0.162 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= -0.0892 (180deg=-0.86) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.0858 (180deg=-0.47) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.215 F(o=-0.94,f=-0.22) USER MOD Single : A 53 ASN : amide:sc= -0.694 K(o=-0.69,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -53:sc= 0.227 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.420 -12.279 22.190 1.00 0.00 N ATOM 2 CA GLY A 1 4.574 -11.752 21.484 1.00 0.00 C ATOM 3 C GLY A 1 4.980 -10.378 21.981 1.00 0.00 C ATOM 4 O GLY A 1 4.676 -9.367 21.348 1.00 0.00 O ATOM 0 H1 GLY A 1 3.182 -13.219 21.814 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.639 -12.357 23.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.611 -11.639 22.059 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.412 -12.439 21.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.351 -11.698 20.418 1.00 0.00 H new ATOM 8 N SER A 2 5.666 -10.341 23.119 1.00 0.00 N ATOM 9 CA SER A 2 6.109 -9.081 23.703 1.00 0.00 C ATOM 10 C SER A 2 6.931 -8.276 22.700 1.00 0.00 C ATOM 11 O SER A 2 6.609 -7.128 22.396 1.00 0.00 O ATOM 12 CB SER A 2 6.935 -9.341 24.964 1.00 0.00 C ATOM 13 OG SER A 2 6.153 -9.970 25.965 1.00 0.00 O ATOM 0 H SER A 2 5.927 -11.169 23.654 1.00 0.00 H new ATOM 0 HA SER A 2 5.225 -8.502 23.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.791 -9.969 24.719 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.330 -8.399 25.345 1.00 0.00 H new ATOM 0 HG SER A 2 6.704 -10.127 26.760 1.00 0.00 H new ATOM 19 N SER A 3 7.996 -8.888 22.191 1.00 0.00 N ATOM 20 CA SER A 3 8.867 -8.229 21.226 1.00 0.00 C ATOM 21 C SER A 3 8.182 -8.110 19.868 1.00 0.00 C ATOM 22 O SER A 3 7.999 -7.011 19.347 1.00 0.00 O ATOM 23 CB SER A 3 10.180 -9.002 21.082 1.00 0.00 C ATOM 24 OG SER A 3 11.229 -8.150 20.655 1.00 0.00 O ATOM 0 H SER A 3 8.276 -9.839 22.431 1.00 0.00 H new ATOM 0 HA SER A 3 9.082 -7.226 21.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.443 -9.458 22.036 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.051 -9.813 20.365 1.00 0.00 H new ATOM 0 HG SER A 3 12.057 -8.667 20.572 1.00 0.00 H new ATOM 30 N GLY A 4 7.805 -9.252 19.300 1.00 0.00 N ATOM 31 CA GLY A 4 7.145 -9.255 18.008 1.00 0.00 C ATOM 32 C GLY A 4 7.915 -8.474 16.961 1.00 0.00 C ATOM 33 O GLY A 4 7.343 -7.654 16.243 1.00 0.00 O ATOM 0 H GLY A 4 7.945 -10.175 19.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.020 -10.284 17.670 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.147 -8.830 18.113 1.00 0.00 H new ATOM 37 N SER A 5 9.217 -8.727 16.875 1.00 0.00 N ATOM 38 CA SER A 5 10.068 -8.038 15.912 1.00 0.00 C ATOM 39 C SER A 5 9.488 -8.139 14.505 1.00 0.00 C ATOM 40 O SER A 5 9.358 -7.138 13.801 1.00 0.00 O ATOM 41 CB SER A 5 11.481 -8.623 15.938 1.00 0.00 C ATOM 42 OG SER A 5 11.480 -9.977 15.517 1.00 0.00 O ATOM 0 H SER A 5 9.706 -9.404 17.461 1.00 0.00 H new ATOM 0 HA SER A 5 10.114 -6.986 16.192 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.132 -8.038 15.289 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.889 -8.553 16.946 1.00 0.00 H new ATOM 0 HG SER A 5 12.395 -10.328 15.541 1.00 0.00 H new ATOM 48 N SER A 6 9.142 -9.357 14.101 1.00 0.00 N ATOM 49 CA SER A 6 8.579 -9.592 12.776 1.00 0.00 C ATOM 50 C SER A 6 7.067 -9.778 12.853 1.00 0.00 C ATOM 51 O SER A 6 6.499 -9.891 13.938 1.00 0.00 O ATOM 52 CB SER A 6 9.224 -10.823 12.136 1.00 0.00 C ATOM 53 OG SER A 6 10.633 -10.687 12.074 1.00 0.00 O ATOM 0 H SER A 6 9.242 -10.196 14.672 1.00 0.00 H new ATOM 0 HA SER A 6 8.789 -8.718 12.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.966 -11.713 12.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.825 -10.966 11.132 1.00 0.00 H new ATOM 0 HG SER A 6 11.021 -11.487 11.663 1.00 0.00 H new ATOM 59 N GLY A 7 6.421 -9.808 11.691 1.00 0.00 N ATOM 60 CA GLY A 7 4.981 -9.981 11.647 1.00 0.00 C ATOM 61 C GLY A 7 4.256 -8.706 11.264 1.00 0.00 C ATOM 62 O GLY A 7 3.981 -7.859 12.115 1.00 0.00 O ATOM 0 H GLY A 7 6.869 -9.716 10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.734 -10.765 10.931 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.628 -10.317 12.622 1.00 0.00 H new ATOM 66 N PHE A 8 3.947 -8.566 9.979 1.00 0.00 N ATOM 67 CA PHE A 8 3.252 -7.384 9.484 1.00 0.00 C ATOM 68 C PHE A 8 1.750 -7.638 9.384 1.00 0.00 C ATOM 69 O PHE A 8 1.317 -8.736 9.033 1.00 0.00 O ATOM 70 CB PHE A 8 3.804 -6.977 8.116 1.00 0.00 C ATOM 71 CG PHE A 8 5.286 -6.733 8.116 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.797 -5.498 8.481 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.167 -7.737 7.751 1.00 0.00 C ATOM 74 CE1 PHE A 8 7.160 -5.270 8.483 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.531 -7.515 7.751 1.00 0.00 C ATOM 76 CZ PHE A 8 8.028 -6.279 8.116 1.00 0.00 C ATOM 0 H PHE A 8 4.167 -9.257 9.262 1.00 0.00 H new ATOM 0 HA PHE A 8 3.419 -6.572 10.192 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.573 -7.759 7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.295 -6.073 7.782 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.123 -4.705 8.767 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.784 -8.705 7.463 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.546 -4.303 8.771 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.208 -8.307 7.466 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.093 -6.102 8.114 1.00 0.00 H new ATOM 86 N CYS A 9 0.962 -6.615 9.695 1.00 0.00 N ATOM 87 CA CYS A 9 -0.492 -6.726 9.642 1.00 0.00 C ATOM 88 C CYS A 9 -0.948 -7.238 8.279 1.00 0.00 C ATOM 89 O CYS A 9 -1.656 -8.240 8.186 1.00 0.00 O ATOM 90 CB CYS A 9 -1.139 -5.372 9.935 1.00 0.00 C ATOM 91 SG CYS A 9 -1.350 -5.020 11.696 1.00 0.00 S ATOM 0 H CYS A 9 1.305 -5.700 9.986 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.806 -7.441 10.402 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.530 -4.586 9.489 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.114 -5.334 9.449 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.903 -3.852 11.842 1.00 0.00 H new ATOM 97 N GLY A 10 -0.540 -6.540 7.224 1.00 0.00 N ATOM 98 CA GLY A 10 -0.918 -6.938 5.880 1.00 0.00 C ATOM 99 C GLY A 10 -0.117 -6.216 4.815 1.00 0.00 C ATOM 100 O GLY A 10 0.807 -5.464 5.126 1.00 0.00 O ATOM 0 H GLY A 10 0.045 -5.706 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.777 -8.013 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.979 -6.738 5.730 1.00 0.00 H new ATOM 104 N ARG A 11 -0.469 -6.447 3.554 1.00 0.00 N ATOM 105 CA ARG A 11 0.227 -5.816 2.439 1.00 0.00 C ATOM 106 C ARG A 11 -0.714 -4.902 1.659 1.00 0.00 C ATOM 107 O ARG A 11 -1.927 -4.926 1.862 1.00 0.00 O ATOM 108 CB ARG A 11 0.811 -6.879 1.507 1.00 0.00 C ATOM 109 CG ARG A 11 2.120 -7.471 2.004 1.00 0.00 C ATOM 110 CD ARG A 11 2.614 -8.579 1.087 1.00 0.00 C ATOM 111 NE ARG A 11 4.018 -8.901 1.324 1.00 0.00 N ATOM 112 CZ ARG A 11 4.800 -9.488 0.425 1.00 0.00 C ATOM 113 NH1 ARG A 11 4.317 -9.814 -0.766 1.00 0.00 N ATOM 114 NH2 ARG A 11 6.068 -9.749 0.716 1.00 0.00 N ATOM 0 H ARG A 11 -1.232 -7.066 3.279 1.00 0.00 H new ATOM 0 HA ARG A 11 1.039 -5.213 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.083 -7.681 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.971 -6.439 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.874 -6.687 2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.983 -7.865 3.011 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.007 -9.472 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.482 -8.276 0.048 1.00 0.00 H new ATOM 0 HE ARG A 11 4.421 -8.662 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.343 -9.614 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.919 -10.265 -1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.443 -9.499 1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.668 -10.200 0.025 1.00 0.00 H new ATOM 128 N ALA A 12 -0.144 -4.098 0.768 1.00 0.00 N ATOM 129 CA ALA A 12 -0.932 -3.177 -0.044 1.00 0.00 C ATOM 130 C ALA A 12 -0.264 -2.924 -1.391 1.00 0.00 C ATOM 131 O ALA A 12 0.886 -2.489 -1.453 1.00 0.00 O ATOM 132 CB ALA A 12 -1.141 -1.866 0.699 1.00 0.00 C ATOM 0 H ALA A 12 0.860 -4.065 0.590 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.903 -3.635 -0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.730 -1.188 0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.669 -2.057 1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.174 -1.412 0.915 1.00 0.00 H new ATOM 138 N ARG A 13 -0.992 -3.200 -2.468 1.00 0.00 N ATOM 139 CA ARG A 13 -0.469 -3.004 -3.815 1.00 0.00 C ATOM 140 C ARG A 13 -0.774 -1.595 -4.316 1.00 0.00 C ATOM 141 O ARG A 13 -1.935 -1.201 -4.427 1.00 0.00 O ATOM 142 CB ARG A 13 -1.066 -4.037 -4.772 1.00 0.00 C ATOM 143 CG ARG A 13 -0.528 -3.935 -6.190 1.00 0.00 C ATOM 144 CD ARG A 13 -0.705 -5.242 -6.948 1.00 0.00 C ATOM 145 NE ARG A 13 0.065 -6.330 -6.351 1.00 0.00 N ATOM 146 CZ ARG A 13 -0.230 -7.615 -6.515 1.00 0.00 C ATOM 147 NH1 ARG A 13 -1.272 -7.970 -7.253 1.00 0.00 N ATOM 148 NH2 ARG A 13 0.519 -8.547 -5.940 1.00 0.00 N ATOM 0 H ARG A 13 -1.946 -3.560 -2.434 1.00 0.00 H new ATOM 0 HA ARG A 13 0.613 -3.133 -3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.864 -5.036 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.149 -3.917 -4.794 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.043 -3.133 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.529 -3.670 -6.161 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.761 -5.512 -6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.395 -5.105 -7.984 1.00 0.00 H new ATOM 0 HE ARG A 13 0.873 -6.090 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.850 -7.256 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.496 -8.957 -7.377 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.322 -8.277 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.292 -9.533 -6.066 1.00 0.00 H new ATOM 162 N VAL A 14 0.278 -0.840 -4.618 1.00 0.00 N ATOM 163 CA VAL A 14 0.124 0.524 -5.109 1.00 0.00 C ATOM 164 C VAL A 14 -0.365 0.537 -6.553 1.00 0.00 C ATOM 165 O VAL A 14 0.406 0.299 -7.483 1.00 0.00 O ATOM 166 CB VAL A 14 1.448 1.306 -5.019 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.274 2.716 -5.563 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.952 1.337 -3.584 1.00 0.00 C ATOM 0 H VAL A 14 1.246 -1.150 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.618 1.007 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 14 2.193 0.796 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.220 3.253 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.963 2.668 -6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.515 3.239 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.888 1.893 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.211 1.822 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.119 0.318 -3.235 1.00 0.00 H new ATOM 178 N HIS A 15 -1.652 0.818 -6.734 1.00 0.00 N ATOM 179 CA HIS A 15 -2.244 0.863 -8.066 1.00 0.00 C ATOM 180 C HIS A 15 -2.113 2.257 -8.672 1.00 0.00 C ATOM 181 O HIS A 15 -1.957 2.407 -9.884 1.00 0.00 O ATOM 182 CB HIS A 15 -3.717 0.457 -8.006 1.00 0.00 C ATOM 183 CG HIS A 15 -4.500 1.196 -6.965 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.313 2.271 -7.257 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.593 1.008 -5.628 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.870 2.714 -6.144 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.450 1.964 -5.141 1.00 0.00 N ATOM 0 H HIS A 15 -2.304 1.018 -5.975 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.706 0.158 -8.700 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.173 0.628 -8.981 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.783 -0.613 -7.807 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.087 0.248 -5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.553 3.547 -6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.719 2.077 -4.163 1.00 0.00 H new ATOM 195 N THR A 16 -2.176 3.276 -7.820 1.00 0.00 N ATOM 196 CA THR A 16 -2.066 4.657 -8.271 1.00 0.00 C ATOM 197 C THR A 16 -0.733 5.267 -7.855 1.00 0.00 C ATOM 198 O THR A 16 -0.537 5.621 -6.692 1.00 0.00 O ATOM 199 CB THR A 16 -3.211 5.524 -7.711 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.475 4.970 -8.092 1.00 0.00 O ATOM 201 CG2 THR A 16 -3.105 6.954 -8.219 1.00 0.00 C ATOM 0 H THR A 16 -2.303 3.170 -6.813 1.00 0.00 H new ATOM 0 HA THR A 16 -2.131 4.640 -9.359 1.00 0.00 H new ATOM 0 HB THR A 16 -3.132 5.535 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.518 4.031 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.923 7.547 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.154 7.383 -7.903 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.162 6.959 -9.308 1.00 0.00 H new ATOM 209 N ASP A 17 0.181 5.388 -8.812 1.00 0.00 N ATOM 210 CA ASP A 17 1.497 5.957 -8.545 1.00 0.00 C ATOM 211 C ASP A 17 1.373 7.353 -7.941 1.00 0.00 C ATOM 212 O ASP A 17 0.703 8.224 -8.496 1.00 0.00 O ATOM 213 CB ASP A 17 2.321 6.017 -9.831 1.00 0.00 C ATOM 214 CG ASP A 17 1.479 6.364 -11.043 1.00 0.00 C ATOM 215 OD1 ASP A 17 0.927 7.483 -11.081 1.00 0.00 O ATOM 216 OD2 ASP A 17 1.370 5.515 -11.954 1.00 0.00 O ATOM 0 H ASP A 17 0.035 5.100 -9.779 1.00 0.00 H new ATOM 0 HA ASP A 17 2.005 5.313 -7.827 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.112 6.758 -9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.807 5.055 -9.993 1.00 0.00 H new ATOM 221 N PHE A 18 2.022 7.558 -6.799 1.00 0.00 N ATOM 222 CA PHE A 18 1.983 8.847 -6.118 1.00 0.00 C ATOM 223 C PHE A 18 3.388 9.305 -5.740 1.00 0.00 C ATOM 224 O PHE A 18 4.072 8.660 -4.945 1.00 0.00 O ATOM 225 CB PHE A 18 1.108 8.759 -4.866 1.00 0.00 C ATOM 226 CG PHE A 18 1.144 10.002 -4.022 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.113 10.165 -3.046 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.208 11.007 -4.206 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.147 11.306 -2.268 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.237 12.151 -3.432 1.00 0.00 C ATOM 231 CZ PHE A 18 1.209 12.301 -2.462 1.00 0.00 C ATOM 0 H PHE A 18 2.581 6.848 -6.326 1.00 0.00 H new ATOM 0 HA PHE A 18 1.554 9.579 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.078 8.562 -5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.433 7.911 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.850 9.391 -2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.553 10.895 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.906 11.420 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.499 12.927 -3.585 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.235 13.195 -1.856 1.00 0.00 H new ATOM 241 N THR A 19 3.814 10.425 -6.317 1.00 0.00 N ATOM 242 CA THR A 19 5.137 10.970 -6.043 1.00 0.00 C ATOM 243 C THR A 19 5.042 12.313 -5.329 1.00 0.00 C ATOM 244 O THR A 19 4.768 13.348 -5.937 1.00 0.00 O ATOM 245 CB THR A 19 5.951 11.147 -7.339 1.00 0.00 C ATOM 246 OG1 THR A 19 5.922 9.937 -8.105 1.00 0.00 O ATOM 247 CG2 THR A 19 7.392 11.520 -7.026 1.00 0.00 C ATOM 0 H THR A 19 3.261 10.972 -6.977 1.00 0.00 H new ATOM 0 HA THR A 19 5.646 10.254 -5.398 1.00 0.00 H new ATOM 0 HB THR A 19 5.501 11.954 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.440 10.058 -8.928 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.947 11.640 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.413 12.456 -6.468 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.850 10.732 -6.429 1.00 0.00 H new ATOM 255 N PRO A 20 5.274 12.300 -4.008 1.00 0.00 N ATOM 256 CA PRO A 20 5.221 13.511 -3.183 1.00 0.00 C ATOM 257 C PRO A 20 6.376 14.463 -3.476 1.00 0.00 C ATOM 258 O PRO A 20 7.136 14.260 -4.423 1.00 0.00 O ATOM 259 CB PRO A 20 5.323 12.971 -1.754 1.00 0.00 C ATOM 260 CG PRO A 20 6.031 11.668 -1.891 1.00 0.00 C ATOM 261 CD PRO A 20 5.607 11.103 -3.219 1.00 0.00 C ATOM 0 HA PRO A 20 4.319 14.093 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.875 13.656 -1.111 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.337 12.841 -1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.112 11.805 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.766 10.993 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.406 10.525 -3.683 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.750 10.437 -3.117 1.00 0.00 H new ATOM 269 N SER A 21 6.503 15.502 -2.657 1.00 0.00 N ATOM 270 CA SER A 21 7.563 16.487 -2.830 1.00 0.00 C ATOM 271 C SER A 21 8.908 15.922 -2.384 1.00 0.00 C ATOM 272 O SER A 21 8.984 14.941 -1.644 1.00 0.00 O ATOM 273 CB SER A 21 7.243 17.757 -2.039 1.00 0.00 C ATOM 274 OG SER A 21 6.505 18.675 -2.826 1.00 0.00 O ATOM 0 H SER A 21 5.884 15.683 -1.867 1.00 0.00 H new ATOM 0 HA SER A 21 7.626 16.734 -3.890 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.674 17.499 -1.146 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.169 18.223 -1.703 1.00 0.00 H new ATOM 0 HG SER A 21 6.312 19.477 -2.298 1.00 0.00 H new ATOM 280 N PRO A 22 9.997 16.556 -2.844 1.00 0.00 N ATOM 281 CA PRO A 22 11.360 16.135 -2.505 1.00 0.00 C ATOM 282 C PRO A 22 11.703 16.401 -1.043 1.00 0.00 C ATOM 283 O PRO A 22 12.416 15.621 -0.411 1.00 0.00 O ATOM 284 CB PRO A 22 12.235 16.992 -3.424 1.00 0.00 C ATOM 285 CG PRO A 22 11.411 18.199 -3.712 1.00 0.00 C ATOM 286 CD PRO A 22 9.982 17.732 -3.729 1.00 0.00 C ATOM 0 HA PRO A 22 11.500 15.062 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.174 17.260 -2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.489 16.458 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.562 18.965 -2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.688 18.641 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.303 18.502 -3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.656 17.473 -4.736 1.00 0.00 H new ATOM 294 N TYR A 23 11.191 17.505 -0.512 1.00 0.00 N ATOM 295 CA TYR A 23 11.444 17.874 0.875 1.00 0.00 C ATOM 296 C TYR A 23 10.705 16.943 1.831 1.00 0.00 C ATOM 297 O TYR A 23 11.253 16.515 2.847 1.00 0.00 O ATOM 298 CB TYR A 23 11.018 19.322 1.126 1.00 0.00 C ATOM 299 CG TYR A 23 11.675 20.316 0.195 1.00 0.00 C ATOM 300 CD1 TYR A 23 13.043 20.556 0.256 1.00 0.00 C ATOM 301 CD2 TYR A 23 10.929 21.016 -0.745 1.00 0.00 C ATOM 302 CE1 TYR A 23 13.647 21.463 -0.592 1.00 0.00 C ATOM 303 CE2 TYR A 23 11.525 21.924 -1.598 1.00 0.00 C ATOM 304 CZ TYR A 23 12.885 22.145 -1.518 1.00 0.00 C ATOM 305 OH TYR A 23 13.482 23.050 -2.364 1.00 0.00 O ATOM 0 H TYR A 23 10.598 18.160 -1.021 1.00 0.00 H new ATOM 0 HA TYR A 23 12.514 17.779 1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.936 19.397 1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.256 19.589 2.156 1.00 0.00 H new ATOM 0 HD1 TYR A 23 13.644 20.024 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.864 20.847 -0.810 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.711 21.638 -0.531 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.930 22.458 -2.324 1.00 0.00 H new ATOM 0 HH TYR A 23 12.805 23.442 -2.954 1.00 0.00 H new ATOM 315 N ASP A 24 9.458 16.631 1.497 1.00 0.00 N ATOM 316 CA ASP A 24 8.642 15.749 2.323 1.00 0.00 C ATOM 317 C ASP A 24 9.296 14.378 2.463 1.00 0.00 C ATOM 318 O ASP A 24 9.711 13.771 1.474 1.00 0.00 O ATOM 319 CB ASP A 24 7.243 15.602 1.723 1.00 0.00 C ATOM 320 CG ASP A 24 6.291 14.870 2.647 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.752 13.978 3.390 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.083 15.188 2.628 1.00 0.00 O ATOM 0 H ASP A 24 8.990 16.976 0.659 1.00 0.00 H new ATOM 0 HA ASP A 24 8.558 16.195 3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.841 16.590 1.500 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.311 15.065 0.777 1.00 0.00 H new ATOM 327 N THR A 25 9.386 13.894 3.698 1.00 0.00 N ATOM 328 CA THR A 25 9.991 12.596 3.968 1.00 0.00 C ATOM 329 C THR A 25 8.956 11.603 4.485 1.00 0.00 C ATOM 330 O THR A 25 9.032 10.408 4.201 1.00 0.00 O ATOM 331 CB THR A 25 11.134 12.711 4.994 1.00 0.00 C ATOM 332 OG1 THR A 25 10.629 13.220 6.234 1.00 0.00 O ATOM 333 CG2 THR A 25 12.236 13.623 4.477 1.00 0.00 C ATOM 0 H THR A 25 9.047 14.382 4.527 1.00 0.00 H new ATOM 0 HA THR A 25 10.397 12.234 3.023 1.00 0.00 H new ATOM 0 HB THR A 25 11.552 11.717 5.152 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.361 13.289 6.882 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.032 13.689 5.219 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.638 13.218 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.829 14.617 4.293 1.00 0.00 H new ATOM 341 N ASP A 26 7.990 12.106 5.246 1.00 0.00 N ATOM 342 CA ASP A 26 6.938 11.264 5.802 1.00 0.00 C ATOM 343 C ASP A 26 6.293 10.410 4.714 1.00 0.00 C ATOM 344 O ASP A 26 6.169 9.194 4.858 1.00 0.00 O ATOM 345 CB ASP A 26 5.876 12.124 6.488 1.00 0.00 C ATOM 346 CG ASP A 26 6.394 12.786 7.750 1.00 0.00 C ATOM 347 OD1 ASP A 26 7.000 13.872 7.644 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.194 12.217 8.844 1.00 0.00 O ATOM 0 H ASP A 26 7.914 13.093 5.492 1.00 0.00 H new ATOM 0 HA ASP A 26 7.390 10.601 6.540 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.530 12.891 5.795 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.014 11.504 6.734 1.00 0.00 H new ATOM 353 N SER A 27 5.884 11.056 3.627 1.00 0.00 N ATOM 354 CA SER A 27 5.248 10.357 2.516 1.00 0.00 C ATOM 355 C SER A 27 6.279 9.583 1.699 1.00 0.00 C ATOM 356 O SER A 27 7.334 10.112 1.347 1.00 0.00 O ATOM 357 CB SER A 27 4.509 11.350 1.617 1.00 0.00 C ATOM 358 OG SER A 27 3.258 11.710 2.176 1.00 0.00 O ATOM 0 H SER A 27 5.982 12.062 3.492 1.00 0.00 H new ATOM 0 HA SER A 27 4.530 9.648 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.119 12.243 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.357 10.910 0.631 1.00 0.00 H new ATOM 0 HG SER A 27 2.806 12.347 1.584 1.00 0.00 H new ATOM 364 N LEU A 28 5.966 8.327 1.402 1.00 0.00 N ATOM 365 CA LEU A 28 6.863 7.478 0.626 1.00 0.00 C ATOM 366 C LEU A 28 6.519 7.535 -0.859 1.00 0.00 C ATOM 367 O LEU A 28 5.385 7.831 -1.234 1.00 0.00 O ATOM 368 CB LEU A 28 6.788 6.033 1.123 1.00 0.00 C ATOM 369 CG LEU A 28 6.852 5.841 2.639 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.198 4.527 3.038 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.294 5.890 3.122 1.00 0.00 C ATOM 0 H LEU A 28 5.098 7.874 1.687 1.00 0.00 H new ATOM 0 HA LEU A 28 7.879 7.849 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.859 5.593 0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.605 5.471 0.671 1.00 0.00 H new ATOM 0 HG LEU A 28 6.303 6.655 3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.253 4.407 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.154 4.531 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.718 3.700 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.321 5.752 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.866 5.097 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.730 6.857 2.869 1.00 0.00 H new ATOM 383 N LYS A 29 7.506 7.248 -1.701 1.00 0.00 N ATOM 384 CA LYS A 29 7.308 7.263 -3.146 1.00 0.00 C ATOM 385 C LYS A 29 6.529 6.033 -3.601 1.00 0.00 C ATOM 386 O LYS A 29 7.063 4.923 -3.632 1.00 0.00 O ATOM 387 CB LYS A 29 8.658 7.320 -3.865 1.00 0.00 C ATOM 388 CG LYS A 29 8.552 7.722 -5.326 1.00 0.00 C ATOM 389 CD LYS A 29 9.838 8.361 -5.823 1.00 0.00 C ATOM 390 CE LYS A 29 10.946 7.332 -5.983 1.00 0.00 C ATOM 391 NZ LYS A 29 11.688 7.114 -4.711 1.00 0.00 N ATOM 0 H LYS A 29 8.451 7.002 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 29 6.730 8.152 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.306 8.028 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.137 6.343 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.324 6.844 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.725 8.420 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.656 8.852 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.156 9.134 -5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.519 6.388 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.640 7.662 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.684 6.900 -4.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.634 7.972 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.265 6.317 -4.195 1.00 0.00 H new ATOM 405 N LEU A 30 5.265 6.237 -3.955 1.00 0.00 N ATOM 406 CA LEU A 30 4.413 5.144 -4.410 1.00 0.00 C ATOM 407 C LEU A 30 4.491 4.988 -5.926 1.00 0.00 C ATOM 408 O LEU A 30 4.461 5.972 -6.665 1.00 0.00 O ATOM 409 CB LEU A 30 2.964 5.391 -3.986 1.00 0.00 C ATOM 410 CG LEU A 30 2.749 5.771 -2.520 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.285 6.088 -2.260 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.226 4.653 -1.604 1.00 0.00 C ATOM 0 H LEU A 30 4.808 7.149 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 30 4.769 4.222 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.554 6.185 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.387 4.491 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 30 3.336 6.664 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.151 6.356 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.976 6.922 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.677 5.214 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.065 4.941 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.667 3.743 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.288 4.474 -1.771 1.00 0.00 H new ATOM 424 N LYS A 31 4.589 3.744 -6.383 1.00 0.00 N ATOM 425 CA LYS A 31 4.668 3.457 -7.810 1.00 0.00 C ATOM 426 C LYS A 31 3.658 2.384 -8.206 1.00 0.00 C ATOM 427 O LYS A 31 3.271 1.549 -7.388 1.00 0.00 O ATOM 428 CB LYS A 31 6.081 3.004 -8.183 1.00 0.00 C ATOM 429 CG LYS A 31 7.000 4.146 -8.581 1.00 0.00 C ATOM 430 CD LYS A 31 6.907 4.445 -10.068 1.00 0.00 C ATOM 431 CE LYS A 31 7.271 5.890 -10.370 1.00 0.00 C ATOM 432 NZ LYS A 31 6.750 6.328 -11.694 1.00 0.00 N ATOM 0 H LYS A 31 4.616 2.918 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 31 4.431 4.372 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.519 2.474 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.020 2.293 -9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.739 5.039 -8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.029 3.893 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.573 3.779 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.895 4.243 -10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.869 6.536 -9.590 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.355 6.003 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.019 7.318 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.153 5.728 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.713 6.244 -11.704 1.00 0.00 H new ATOM 446 N LYS A 32 3.235 2.412 -9.465 1.00 0.00 N ATOM 447 CA LYS A 32 2.272 1.441 -9.971 1.00 0.00 C ATOM 448 C LYS A 32 2.867 0.037 -9.975 1.00 0.00 C ATOM 449 O LYS A 32 3.677 -0.303 -10.837 1.00 0.00 O ATOM 450 CB LYS A 32 1.828 1.822 -11.385 1.00 0.00 C ATOM 451 CG LYS A 32 0.524 1.168 -11.810 1.00 0.00 C ATOM 452 CD LYS A 32 0.477 0.942 -13.312 1.00 0.00 C ATOM 453 CE LYS A 32 1.390 -0.200 -13.732 1.00 0.00 C ATOM 454 NZ LYS A 32 0.969 -1.496 -13.133 1.00 0.00 N ATOM 0 H LYS A 32 3.544 3.097 -10.154 1.00 0.00 H new ATOM 0 HA LYS A 32 1.405 1.448 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.717 2.905 -11.443 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.611 1.544 -12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.409 0.215 -11.294 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.314 1.797 -11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.546 0.722 -13.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.774 1.855 -13.828 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.389 -0.285 -14.819 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.413 0.024 -13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.375 -2.280 -13.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.306 -1.550 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.069 -1.564 -13.148 1.00 0.00 H new ATOM 468 N GLY A 33 2.458 -0.777 -9.006 1.00 0.00 N ATOM 469 CA GLY A 33 2.960 -2.136 -8.918 1.00 0.00 C ATOM 470 C GLY A 33 4.017 -2.295 -7.843 1.00 0.00 C ATOM 471 O GLY A 33 5.071 -2.884 -8.082 1.00 0.00 O ATOM 0 H GLY A 33 1.788 -0.520 -8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.131 -2.813 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.379 -2.429 -9.881 1.00 0.00 H new ATOM 475 N ASP A 34 3.736 -1.767 -6.657 1.00 0.00 N ATOM 476 CA ASP A 34 4.671 -1.853 -5.541 1.00 0.00 C ATOM 477 C ASP A 34 3.938 -2.165 -4.240 1.00 0.00 C ATOM 478 O ASP A 34 2.981 -1.480 -3.876 1.00 0.00 O ATOM 479 CB ASP A 34 5.451 -0.544 -5.400 1.00 0.00 C ATOM 480 CG ASP A 34 6.432 -0.330 -6.536 1.00 0.00 C ATOM 481 OD1 ASP A 34 6.026 -0.484 -7.707 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.606 -0.009 -6.254 1.00 0.00 O ATOM 0 H ASP A 34 2.868 -1.275 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 34 5.370 -2.664 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.751 0.291 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.991 -0.546 -4.453 1.00 0.00 H new ATOM 487 N ILE A 35 4.392 -3.202 -3.545 1.00 0.00 N ATOM 488 CA ILE A 35 3.779 -3.604 -2.285 1.00 0.00 C ATOM 489 C ILE A 35 4.459 -2.925 -1.101 1.00 0.00 C ATOM 490 O ILE A 35 5.672 -2.710 -1.109 1.00 0.00 O ATOM 491 CB ILE A 35 3.840 -5.131 -2.092 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.029 -5.837 -3.179 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.328 -5.510 -0.710 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.784 -6.014 -4.478 1.00 0.00 C ATOM 0 H ILE A 35 5.182 -3.779 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 35 2.735 -3.293 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 35 4.878 -5.452 -2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.719 -6.816 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.120 -5.266 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.377 -6.592 -0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.945 -5.031 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.295 -5.179 -0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.147 -6.522 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.071 -5.037 -4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.679 -6.611 -4.300 1.00 0.00 H new ATOM 506 N ILE A 36 3.671 -2.591 -0.085 1.00 0.00 N ATOM 507 CA ILE A 36 4.198 -1.940 1.108 1.00 0.00 C ATOM 508 C ILE A 36 3.786 -2.688 2.371 1.00 0.00 C ATOM 509 O ILE A 36 2.600 -2.794 2.683 1.00 0.00 O ATOM 510 CB ILE A 36 3.719 -0.480 1.210 1.00 0.00 C ATOM 511 CG1 ILE A 36 4.100 0.295 -0.053 1.00 0.00 C ATOM 512 CG2 ILE A 36 4.308 0.186 2.445 1.00 0.00 C ATOM 513 CD1 ILE A 36 3.294 1.560 -0.252 1.00 0.00 C ATOM 0 H ILE A 36 2.665 -2.760 -0.064 1.00 0.00 H new ATOM 0 HA ILE A 36 5.284 -1.953 1.020 1.00 0.00 H new ATOM 0 HB ILE A 36 2.633 -0.476 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.158 0.552 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.967 -0.351 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.960 1.217 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.990 -0.355 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.396 0.173 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.618 2.058 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.236 1.309 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.447 2.226 0.597 1.00 0.00 H new ATOM 525 N ASP A 37 4.774 -3.204 3.094 1.00 0.00 N ATOM 526 CA ASP A 37 4.515 -3.941 4.326 1.00 0.00 C ATOM 527 C ASP A 37 3.828 -3.051 5.357 1.00 0.00 C ATOM 528 O ASP A 37 4.463 -2.194 5.973 1.00 0.00 O ATOM 529 CB ASP A 37 5.821 -4.493 4.900 1.00 0.00 C ATOM 530 CG ASP A 37 6.190 -5.838 4.307 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.283 -5.935 3.065 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.388 -6.795 5.085 1.00 0.00 O ATOM 0 H ASP A 37 5.761 -3.126 2.849 1.00 0.00 H new ATOM 0 HA ASP A 37 3.851 -4.773 4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.626 -3.783 4.712 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.727 -4.589 5.982 1.00 0.00 H new ATOM 537 N ILE A 38 2.528 -3.259 5.539 1.00 0.00 N ATOM 538 CA ILE A 38 1.756 -2.476 6.495 1.00 0.00 C ATOM 539 C ILE A 38 2.147 -2.818 7.929 1.00 0.00 C ATOM 540 O ILE A 38 2.101 -3.979 8.336 1.00 0.00 O ATOM 541 CB ILE A 38 0.243 -2.705 6.319 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.212 -2.216 4.943 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.531 -1.998 7.422 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.668 -2.505 4.650 1.00 0.00 C ATOM 0 H ILE A 38 1.988 -3.963 5.037 1.00 0.00 H new ATOM 0 HA ILE A 38 1.982 -1.428 6.299 1.00 0.00 H new ATOM 0 HB ILE A 38 0.041 -3.774 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.042 -1.142 4.874 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.405 -2.686 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.599 -2.169 7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.223 -2.390 8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.327 -0.928 7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.921 -2.131 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.840 -3.581 4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.294 -2.012 5.394 1.00 0.00 H new ATOM 556 N ILE A 39 2.530 -1.799 8.691 1.00 0.00 N ATOM 557 CA ILE A 39 2.927 -1.991 10.080 1.00 0.00 C ATOM 558 C ILE A 39 1.771 -1.689 11.028 1.00 0.00 C ATOM 559 O ILE A 39 1.468 -2.476 11.925 1.00 0.00 O ATOM 560 CB ILE A 39 4.127 -1.100 10.452 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.353 -1.488 9.623 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.429 -1.211 11.939 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.434 -0.429 9.611 1.00 0.00 C ATOM 0 H ILE A 39 2.574 -0.832 8.370 1.00 0.00 H new ATOM 0 HA ILE A 39 3.216 -3.037 10.184 1.00 0.00 H new ATOM 0 HB ILE A 39 3.874 -0.063 10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.769 -2.416 10.016 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.040 -1.688 8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.279 -0.576 12.186 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.559 -0.891 12.512 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.666 -2.246 12.186 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.272 -0.772 9.004 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.035 0.494 9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.775 -0.245 10.630 1.00 0.00 H new ATOM 575 N SER A 40 1.128 -0.544 10.822 1.00 0.00 N ATOM 576 CA SER A 40 0.006 -0.136 11.660 1.00 0.00 C ATOM 577 C SER A 40 -1.124 0.440 10.812 1.00 0.00 C ATOM 578 O SER A 40 -0.883 1.111 9.808 1.00 0.00 O ATOM 579 CB SER A 40 0.461 0.897 12.692 1.00 0.00 C ATOM 580 OG SER A 40 0.944 0.266 13.866 1.00 0.00 O ATOM 0 H SER A 40 1.365 0.117 10.082 1.00 0.00 H new ATOM 0 HA SER A 40 -0.366 -1.019 12.180 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.244 1.523 12.264 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.371 1.554 12.945 1.00 0.00 H new ATOM 0 HG SER A 40 1.230 0.947 14.509 1.00 0.00 H new ATOM 586 N LYS A 41 -2.359 0.173 11.223 1.00 0.00 N ATOM 587 CA LYS A 41 -3.529 0.664 10.503 1.00 0.00 C ATOM 588 C LYS A 41 -4.591 1.171 11.474 1.00 0.00 C ATOM 589 O LYS A 41 -5.327 0.397 12.086 1.00 0.00 O ATOM 590 CB LYS A 41 -4.114 -0.443 9.623 1.00 0.00 C ATOM 591 CG LYS A 41 -3.173 -0.908 8.525 1.00 0.00 C ATOM 592 CD LYS A 41 -3.709 -2.140 7.816 1.00 0.00 C ATOM 593 CE LYS A 41 -4.988 -1.832 7.054 1.00 0.00 C ATOM 594 NZ LYS A 41 -5.605 -3.062 6.485 1.00 0.00 N ATOM 0 H LYS A 41 -2.576 -0.381 12.051 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.214 1.494 9.870 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.375 -1.295 10.251 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.039 -0.085 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.030 -0.104 7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.195 -1.130 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.956 -2.521 7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.899 -2.927 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.699 -1.344 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.771 -1.129 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.474 -2.809 5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.936 -3.514 5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.836 -3.723 7.254 1.00 0.00 H new ATOM 608 N PRO A 42 -4.675 2.502 11.618 1.00 0.00 N ATOM 609 CA PRO A 42 -5.645 3.142 12.511 1.00 0.00 C ATOM 610 C PRO A 42 -7.077 3.008 12.003 1.00 0.00 C ATOM 611 O PRO A 42 -7.323 2.584 10.873 1.00 0.00 O ATOM 612 CB PRO A 42 -5.213 4.610 12.510 1.00 0.00 C ATOM 613 CG PRO A 42 -4.503 4.796 11.214 1.00 0.00 C ATOM 614 CD PRO A 42 -3.829 3.485 10.919 1.00 0.00 C ATOM 0 HA PRO A 42 -5.651 2.686 13.501 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.073 5.275 12.589 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.560 4.831 13.354 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.202 5.063 10.421 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.774 5.603 11.281 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.785 3.288 9.848 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.804 3.468 11.289 1.00 0.00 H new ATOM 622 N PRO A 43 -8.045 3.378 12.854 1.00 0.00 N ATOM 623 CA PRO A 43 -9.469 3.309 12.512 1.00 0.00 C ATOM 624 C PRO A 43 -9.863 4.341 11.462 1.00 0.00 C ATOM 625 O PRO A 43 -10.224 5.470 11.793 1.00 0.00 O ATOM 626 CB PRO A 43 -10.167 3.604 13.842 1.00 0.00 C ATOM 627 CG PRO A 43 -9.179 4.403 14.619 1.00 0.00 C ATOM 628 CD PRO A 43 -7.824 3.892 14.216 1.00 0.00 C ATOM 0 HA PRO A 43 -9.739 2.346 12.078 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.092 4.159 13.689 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.430 2.684 14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.277 5.466 14.398 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.338 4.284 15.691 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.075 4.684 14.230 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.473 3.110 14.889 1.00 0.00 H new ATOM 636 N MET A 44 -9.793 3.946 10.195 1.00 0.00 N ATOM 637 CA MET A 44 -10.145 4.838 9.096 1.00 0.00 C ATOM 638 C MET A 44 -9.183 6.020 9.026 1.00 0.00 C ATOM 639 O MET A 44 -9.605 7.170 8.920 1.00 0.00 O ATOM 640 CB MET A 44 -11.580 5.342 9.260 1.00 0.00 C ATOM 641 CG MET A 44 -12.621 4.422 8.644 1.00 0.00 C ATOM 642 SD MET A 44 -14.088 5.309 8.084 1.00 0.00 S ATOM 643 CE MET A 44 -15.367 4.472 9.018 1.00 0.00 C ATOM 0 H MET A 44 -9.496 3.015 9.904 1.00 0.00 H new ATOM 0 HA MET A 44 -10.069 4.275 8.165 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.795 5.461 10.322 1.00 0.00 H new ATOM 0 HB3 MET A 44 -11.664 6.329 8.805 1.00 0.00 H new ATOM 0 HG2 MET A 44 -12.178 3.892 7.801 1.00 0.00 H new ATOM 0 HG3 MET A 44 -12.914 3.669 9.376 1.00 0.00 H new ATOM 0 HE1 MET A 44 -16.337 4.909 8.780 1.00 0.00 H new ATOM 0 HE2 MET A 44 -15.373 3.413 8.759 1.00 0.00 H new ATOM 0 HE3 MET A 44 -15.171 4.584 10.084 1.00 0.00 H new ATOM 653 N GLY A 45 -7.887 5.727 9.085 1.00 0.00 N ATOM 654 CA GLY A 45 -6.887 6.777 9.027 1.00 0.00 C ATOM 655 C GLY A 45 -5.691 6.391 8.180 1.00 0.00 C ATOM 656 O GLY A 45 -5.640 5.292 7.626 1.00 0.00 O ATOM 0 H GLY A 45 -7.512 4.782 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -7.338 7.683 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.552 7.012 10.037 1.00 0.00 H new ATOM 660 N THR A 46 -4.724 7.298 8.076 1.00 0.00 N ATOM 661 CA THR A 46 -3.524 7.048 7.287 1.00 0.00 C ATOM 662 C THR A 46 -2.866 5.733 7.688 1.00 0.00 C ATOM 663 O THR A 46 -2.787 5.403 8.871 1.00 0.00 O ATOM 664 CB THR A 46 -2.501 8.189 7.445 1.00 0.00 C ATOM 665 OG1 THR A 46 -3.180 9.445 7.553 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.542 8.224 6.264 1.00 0.00 C ATOM 0 H THR A 46 -4.749 8.212 8.528 1.00 0.00 H new ATOM 0 HA THR A 46 -3.837 6.991 6.245 1.00 0.00 H new ATOM 0 HB THR A 46 -1.926 8.009 8.353 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.523 10.165 7.655 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.829 9.038 6.398 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.005 7.277 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.104 8.382 5.344 1.00 0.00 H new ATOM 674 N TRP A 47 -2.397 4.986 6.695 1.00 0.00 N ATOM 675 CA TRP A 47 -1.745 3.705 6.945 1.00 0.00 C ATOM 676 C TRP A 47 -0.231 3.830 6.818 1.00 0.00 C ATOM 677 O TRP A 47 0.271 4.510 5.924 1.00 0.00 O ATOM 678 CB TRP A 47 -2.265 2.646 5.971 1.00 0.00 C ATOM 679 CG TRP A 47 -3.705 2.294 6.190 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.526 2.770 7.172 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.494 1.389 5.410 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.777 2.216 7.050 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.784 1.365 5.977 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.238 0.597 4.287 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.810 0.581 5.458 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -5.257 -0.182 3.774 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.531 -0.185 4.359 1.00 0.00 C ATOM 0 H TRP A 47 -2.456 5.245 5.710 1.00 0.00 H new ATOM 0 HA TRP A 47 -1.981 3.399 7.964 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.138 3.007 4.951 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.659 1.745 6.068 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.234 3.478 7.933 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.572 2.407 7.660 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.260 0.594 3.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.792 0.577 5.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.069 -0.799 2.908 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.307 -0.804 3.934 1.00 0.00 H new ATOM 698 N MET A 48 0.491 3.170 7.717 1.00 0.00 N ATOM 699 CA MET A 48 1.949 3.208 7.704 1.00 0.00 C ATOM 700 C MET A 48 2.523 1.854 7.301 1.00 0.00 C ATOM 701 O MET A 48 2.059 0.811 7.758 1.00 0.00 O ATOM 702 CB MET A 48 2.483 3.613 9.079 1.00 0.00 C ATOM 703 CG MET A 48 3.974 3.906 9.090 1.00 0.00 C ATOM 704 SD MET A 48 4.343 5.639 8.755 1.00 0.00 S ATOM 705 CE MET A 48 4.243 6.331 10.404 1.00 0.00 C ATOM 0 H MET A 48 0.091 2.602 8.464 1.00 0.00 H new ATOM 0 HA MET A 48 2.262 3.950 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.945 4.496 9.423 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.273 2.815 9.791 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.387 3.631 10.061 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.468 3.283 8.345 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.448 7.401 10.363 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.243 6.168 10.807 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.977 5.846 11.047 1.00 0.00 H new ATOM 715 N GLY A 49 3.537 1.879 6.440 1.00 0.00 N ATOM 716 CA GLY A 49 4.158 0.647 5.990 1.00 0.00 C ATOM 717 C GLY A 49 5.623 0.827 5.647 1.00 0.00 C ATOM 718 O GLY A 49 6.054 1.925 5.289 1.00 0.00 O ATOM 0 H GLY A 49 3.939 2.730 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.061 -0.110 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.626 0.275 5.114 1.00 0.00 H new ATOM 722 N LEU A 50 6.392 -0.250 5.757 1.00 0.00 N ATOM 723 CA LEU A 50 7.819 -0.206 5.458 1.00 0.00 C ATOM 724 C LEU A 50 8.089 -0.656 4.025 1.00 0.00 C ATOM 725 O LEU A 50 7.930 -1.831 3.692 1.00 0.00 O ATOM 726 CB LEU A 50 8.594 -1.089 6.437 1.00 0.00 C ATOM 727 CG LEU A 50 10.117 -1.053 6.313 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.653 0.316 6.703 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.748 -2.139 7.172 1.00 0.00 C ATOM 0 H LEU A 50 6.051 -1.165 6.051 1.00 0.00 H new ATOM 0 HA LEU A 50 8.156 0.825 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.325 -0.795 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.263 -2.119 6.306 1.00 0.00 H new ATOM 0 HG LEU A 50 10.382 -1.241 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.739 0.322 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.227 1.074 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.378 0.534 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.833 -2.098 7.071 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.474 -1.982 8.215 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.390 -3.115 6.845 1.00 0.00 H new ATOM 741 N LEU A 51 8.501 0.284 3.183 1.00 0.00 N ATOM 742 CA LEU A 51 8.796 -0.016 1.786 1.00 0.00 C ATOM 743 C LEU A 51 10.202 0.445 1.415 1.00 0.00 C ATOM 744 O LEU A 51 10.595 1.572 1.713 1.00 0.00 O ATOM 745 CB LEU A 51 7.770 0.655 0.872 1.00 0.00 C ATOM 746 CG LEU A 51 8.149 0.751 -0.607 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.969 -0.595 -1.292 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.319 1.820 -1.302 1.00 0.00 C ATOM 0 H LEU A 51 8.639 1.261 3.443 1.00 0.00 H new ATOM 0 HA LEU A 51 8.741 -1.096 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.830 0.108 0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.585 1.662 1.245 1.00 0.00 H new ATOM 0 HG LEU A 51 9.200 1.033 -0.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.243 -0.508 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.607 -1.336 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.928 -0.907 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.602 1.874 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.261 1.568 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.498 2.785 -0.828 1.00 0.00 H new ATOM 760 N ASN A 52 10.954 -0.435 0.762 1.00 0.00 N ATOM 761 CA ASN A 52 12.317 -0.118 0.349 1.00 0.00 C ATOM 762 C ASN A 52 13.138 0.392 1.529 1.00 0.00 C ATOM 763 O ASN A 52 13.823 1.409 1.428 1.00 0.00 O ATOM 764 CB ASN A 52 12.303 0.929 -0.767 1.00 0.00 C ATOM 765 CG ASN A 52 11.732 0.385 -2.063 1.00 0.00 C ATOM 766 OD1 ASN A 52 10.699 1.043 -2.577 1.00 0.00 O flip ATOM 767 ND2 ASN A 52 12.215 -0.615 -2.595 1.00 0.00 N flip ATOM 0 H ASN A 52 10.643 -1.373 0.507 1.00 0.00 H new ATOM 0 HA ASN A 52 12.779 -1.032 -0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.715 1.789 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.319 1.284 -0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.009 -1.089 -2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.821 -0.970 -3.466 1.00 0.00 H new ATOM 774 N ASN A 53 13.064 -0.322 2.647 1.00 0.00 N ATOM 775 CA ASN A 53 13.801 0.058 3.847 1.00 0.00 C ATOM 776 C ASN A 53 13.447 1.478 4.276 1.00 0.00 C ATOM 777 O ASN A 53 14.306 2.234 4.731 1.00 0.00 O ATOM 778 CB ASN A 53 15.308 -0.053 3.602 1.00 0.00 C ATOM 779 CG ASN A 53 15.720 -1.440 3.150 1.00 0.00 C ATOM 780 OD1 ASN A 53 14.945 -2.152 2.511 1.00 0.00 O ATOM 781 ND2 ASN A 53 16.945 -1.831 3.481 1.00 0.00 N ATOM 0 H ASN A 53 12.501 -1.167 2.747 1.00 0.00 H new ATOM 0 HA ASN A 53 13.519 -0.625 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.605 0.675 2.847 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.842 0.201 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.278 -2.755 3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.553 -1.208 4.012 1.00 0.00 H new ATOM 788 N LYS A 54 12.176 1.835 4.129 1.00 0.00 N ATOM 789 CA LYS A 54 11.705 3.164 4.502 1.00 0.00 C ATOM 790 C LYS A 54 10.227 3.133 4.876 1.00 0.00 C ATOM 791 O LYS A 54 9.367 2.893 4.028 1.00 0.00 O ATOM 792 CB LYS A 54 11.932 4.149 3.353 1.00 0.00 C ATOM 793 CG LYS A 54 11.658 5.595 3.729 1.00 0.00 C ATOM 794 CD LYS A 54 11.571 6.484 2.499 1.00 0.00 C ATOM 795 CE LYS A 54 12.945 6.749 1.905 1.00 0.00 C ATOM 796 NZ LYS A 54 12.856 7.432 0.584 1.00 0.00 N ATOM 0 H LYS A 54 11.452 1.222 3.754 1.00 0.00 H new ATOM 0 HA LYS A 54 12.274 3.493 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.962 4.061 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.291 3.872 2.516 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.725 5.656 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.449 5.957 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.935 6.011 1.751 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.100 7.430 2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.526 7.363 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.479 5.806 1.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.814 7.595 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.324 6.835 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.369 8.344 0.697 1.00 0.00 H new ATOM 810 N VAL A 55 9.938 3.378 6.150 1.00 0.00 N ATOM 811 CA VAL A 55 8.563 3.380 6.635 1.00 0.00 C ATOM 812 C VAL A 55 7.993 4.794 6.665 1.00 0.00 C ATOM 813 O VAL A 55 8.568 5.693 7.278 1.00 0.00 O ATOM 814 CB VAL A 55 8.464 2.768 8.045 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.468 3.421 8.982 1.00 0.00 C ATOM 816 CG2 VAL A 55 7.049 2.905 8.586 1.00 0.00 C ATOM 0 H VAL A 55 10.638 3.578 6.865 1.00 0.00 H new ATOM 0 HA VAL A 55 7.982 2.772 5.942 1.00 0.00 H new ATOM 0 HB VAL A 55 8.702 1.706 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.383 2.976 9.973 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.477 3.266 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.264 4.490 9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.997 2.467 9.583 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.780 3.960 8.638 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.355 2.386 7.925 1.00 0.00 H new ATOM 826 N GLY A 56 6.858 4.984 5.999 1.00 0.00 N ATOM 827 CA GLY A 56 6.229 6.291 5.962 1.00 0.00 C ATOM 828 C GLY A 56 4.717 6.205 5.892 1.00 0.00 C ATOM 829 O GLY A 56 4.149 5.112 5.872 1.00 0.00 O ATOM 0 H GLY A 56 6.363 4.256 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.517 6.855 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.599 6.844 5.099 1.00 0.00 H new ATOM 833 N THR A 57 4.061 7.361 5.855 1.00 0.00 N ATOM 834 CA THR A 57 2.606 7.412 5.790 1.00 0.00 C ATOM 835 C THR A 57 2.118 7.362 4.347 1.00 0.00 C ATOM 836 O THR A 57 2.786 7.855 3.438 1.00 0.00 O ATOM 837 CB THR A 57 2.058 8.686 6.461 1.00 0.00 C ATOM 838 OG1 THR A 57 2.665 9.845 5.880 1.00 0.00 O ATOM 839 CG2 THR A 57 2.323 8.665 7.959 1.00 0.00 C ATOM 0 H THR A 57 4.515 8.274 5.869 1.00 0.00 H new ATOM 0 HA THR A 57 2.235 6.539 6.327 1.00 0.00 H new ATOM 0 HB THR A 57 0.981 8.721 6.299 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.310 10.651 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.927 9.574 8.411 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.835 7.797 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.397 8.608 8.138 1.00 0.00 H new ATOM 847 N PHE A 58 0.950 6.763 4.142 1.00 0.00 N ATOM 848 CA PHE A 58 0.372 6.648 2.808 1.00 0.00 C ATOM 849 C PHE A 58 -1.137 6.436 2.885 1.00 0.00 C ATOM 850 O PHE A 58 -1.648 5.876 3.855 1.00 0.00 O ATOM 851 CB PHE A 58 1.023 5.493 2.046 1.00 0.00 C ATOM 852 CG PHE A 58 0.654 4.139 2.581 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.283 3.629 3.705 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.320 3.375 1.958 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.945 2.383 4.200 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.662 2.129 2.449 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.028 1.632 3.571 1.00 0.00 C ATOM 0 H PHE A 58 0.384 6.349 4.883 1.00 0.00 H new ATOM 0 HA PHE A 58 0.563 7.579 2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.734 5.552 0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.106 5.607 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.046 4.211 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.817 3.757 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.442 1.997 5.078 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.424 1.544 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.293 0.658 3.955 1.00 0.00 H new ATOM 867 N LYS A 59 -1.845 6.889 1.856 1.00 0.00 N ATOM 868 CA LYS A 59 -3.295 6.749 1.804 1.00 0.00 C ATOM 869 C LYS A 59 -3.691 5.345 1.358 1.00 0.00 C ATOM 870 O LYS A 59 -2.858 4.578 0.874 1.00 0.00 O ATOM 871 CB LYS A 59 -3.894 7.786 0.851 1.00 0.00 C ATOM 872 CG LYS A 59 -3.774 9.214 1.353 1.00 0.00 C ATOM 873 CD LYS A 59 -4.591 10.174 0.503 1.00 0.00 C ATOM 874 CE LYS A 59 -4.305 11.622 0.869 1.00 0.00 C ATOM 875 NZ LYS A 59 -5.175 12.567 0.115 1.00 0.00 N ATOM 0 H LYS A 59 -1.438 7.357 1.046 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.687 6.916 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.398 7.707 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.947 7.554 0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.111 9.266 2.388 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.727 9.518 1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.364 10.012 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.653 9.967 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.457 11.763 1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.259 11.849 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.949 13.544 0.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.011 12.451 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.173 12.368 0.331 1.00 0.00 H new ATOM 889 N PHE A 60 -4.968 5.014 1.524 1.00 0.00 N ATOM 890 CA PHE A 60 -5.474 3.702 1.138 1.00 0.00 C ATOM 891 C PHE A 60 -6.121 3.753 -0.242 1.00 0.00 C ATOM 892 O PHE A 60 -5.918 2.863 -1.068 1.00 0.00 O ATOM 893 CB PHE A 60 -6.485 3.198 2.170 1.00 0.00 C ATOM 894 CG PHE A 60 -7.386 4.276 2.702 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.579 4.577 2.064 1.00 0.00 C ATOM 896 CD2 PHE A 60 -7.040 4.988 3.839 1.00 0.00 C ATOM 897 CE1 PHE A 60 -9.411 5.568 2.551 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.868 5.979 4.330 1.00 0.00 C ATOM 899 CZ PHE A 60 -9.054 6.271 3.685 1.00 0.00 C ATOM 0 H PHE A 60 -5.671 5.636 1.923 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.631 3.012 1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.095 2.416 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.947 2.742 3.001 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.862 4.031 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.113 4.766 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.339 5.792 2.045 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.588 6.526 5.218 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.701 7.047 4.067 1.00 0.00 H new ATOM 909 N ILE A 61 -6.902 4.801 -0.484 1.00 0.00 N ATOM 910 CA ILE A 61 -7.579 4.969 -1.764 1.00 0.00 C ATOM 911 C ILE A 61 -6.597 4.854 -2.925 1.00 0.00 C ATOM 912 O ILE A 61 -6.977 4.497 -4.040 1.00 0.00 O ATOM 913 CB ILE A 61 -8.298 6.329 -1.847 1.00 0.00 C ATOM 914 CG1 ILE A 61 -7.310 7.468 -1.587 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.448 6.381 -0.853 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.897 8.842 -1.827 1.00 0.00 C ATOM 0 H ILE A 61 -7.081 5.546 0.189 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.318 4.171 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.706 6.448 -2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.959 7.406 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.439 7.336 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.946 7.348 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -10.161 5.588 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.062 6.244 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.142 9.601 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.222 8.923 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.751 8.993 -1.166 1.00 0.00 H new ATOM 928 N TYR A 62 -5.332 5.159 -2.655 1.00 0.00 N ATOM 929 CA TYR A 62 -4.295 5.091 -3.677 1.00 0.00 C ATOM 930 C TYR A 62 -3.771 3.666 -3.828 1.00 0.00 C ATOM 931 O TYR A 62 -3.290 3.278 -4.893 1.00 0.00 O ATOM 932 CB TYR A 62 -3.143 6.035 -3.328 1.00 0.00 C ATOM 933 CG TYR A 62 -3.384 7.467 -3.750 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.029 7.908 -5.018 1.00 0.00 C ATOM 935 CD2 TYR A 62 -3.969 8.379 -2.880 1.00 0.00 C ATOM 936 CE1 TYR A 62 -3.247 9.215 -5.408 1.00 0.00 C ATOM 937 CE2 TYR A 62 -4.192 9.688 -3.261 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.829 10.101 -4.525 1.00 0.00 C ATOM 939 OH TYR A 62 -4.049 11.404 -4.910 1.00 0.00 O ATOM 0 H TYR A 62 -5.001 5.456 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.735 5.400 -4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.974 6.006 -2.252 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.231 5.673 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.574 7.216 -5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.254 8.059 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.964 9.541 -6.398 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.648 10.384 -2.572 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.467 11.897 -4.173 1.00 0.00 H new ATOM 949 N VAL A 63 -3.870 2.890 -2.754 1.00 0.00 N ATOM 950 CA VAL A 63 -3.408 1.506 -2.765 1.00 0.00 C ATOM 951 C VAL A 63 -4.578 0.536 -2.648 1.00 0.00 C ATOM 952 O VAL A 63 -5.730 0.950 -2.517 1.00 0.00 O ATOM 953 CB VAL A 63 -2.415 1.237 -1.619 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.211 2.160 -1.727 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.101 1.397 -0.271 1.00 0.00 C ATOM 0 H VAL A 63 -4.266 3.195 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.903 1.348 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.062 0.209 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.521 1.955 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.707 1.990 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.542 3.197 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.384 1.203 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.484 2.413 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.927 0.690 -0.197 1.00 0.00 H new ATOM 965 N ASP A 64 -4.274 -0.756 -2.695 1.00 0.00 N ATOM 966 CA ASP A 64 -5.301 -1.787 -2.593 1.00 0.00 C ATOM 967 C ASP A 64 -4.942 -2.806 -1.515 1.00 0.00 C ATOM 968 O ASP A 64 -3.857 -3.386 -1.531 1.00 0.00 O ATOM 969 CB ASP A 64 -5.482 -2.492 -3.938 1.00 0.00 C ATOM 970 CG ASP A 64 -6.398 -3.697 -3.842 1.00 0.00 C ATOM 971 OD1 ASP A 64 -5.996 -4.698 -3.213 1.00 0.00 O ATOM 972 OD2 ASP A 64 -7.515 -3.637 -4.395 1.00 0.00 O ATOM 0 H ASP A 64 -3.325 -1.115 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.238 -1.305 -2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.889 -1.787 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.509 -2.808 -4.313 1.00 0.00 H new ATOM 977 N VAL A 65 -5.862 -3.017 -0.579 1.00 0.00 N ATOM 978 CA VAL A 65 -5.643 -3.965 0.507 1.00 0.00 C ATOM 979 C VAL A 65 -5.509 -5.388 -0.025 1.00 0.00 C ATOM 980 O VAL A 65 -6.472 -5.968 -0.527 1.00 0.00 O ATOM 981 CB VAL A 65 -6.791 -3.919 1.533 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.582 -4.965 2.617 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.908 -2.528 2.137 1.00 0.00 C ATOM 0 H VAL A 65 -6.766 -2.545 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.715 -3.674 0.998 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.725 -4.147 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.403 -4.917 3.332 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.552 -5.956 2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.641 -4.772 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.724 -2.513 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.975 -2.269 2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.109 -1.804 1.347 1.00 0.00 H new ATOM 993 N LEU A 66 -4.309 -5.946 0.090 1.00 0.00 N ATOM 994 CA LEU A 66 -4.047 -7.302 -0.378 1.00 0.00 C ATOM 995 C LEU A 66 -4.343 -8.323 0.716 1.00 0.00 C ATOM 996 O LEU A 66 -4.492 -7.968 1.885 1.00 0.00 O ATOM 997 CB LEU A 66 -2.594 -7.434 -0.836 1.00 0.00 C ATOM 998 CG LEU A 66 -2.090 -6.351 -1.791 1.00 0.00 C ATOM 999 CD1 LEU A 66 -0.609 -6.541 -2.080 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -2.893 -6.364 -3.083 1.00 0.00 C ATOM 0 H LEU A 66 -3.502 -5.480 0.504 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.706 -7.501 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.955 -7.438 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.474 -8.403 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.224 -5.381 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.268 -5.761 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.046 -6.481 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.450 -7.517 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.521 -5.587 -3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.791 -7.336 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.944 -6.178 -2.860 1.00 0.00 H new ATOM 1012 N SER A 67 -4.423 -9.592 0.329 1.00 0.00 N ATOM 1013 CA SER A 67 -4.702 -10.664 1.277 1.00 0.00 C ATOM 1014 C SER A 67 -6.048 -10.448 1.962 1.00 0.00 C ATOM 1015 O SER A 67 -6.191 -10.677 3.163 1.00 0.00 O ATOM 1016 CB SER A 67 -3.591 -10.748 2.326 1.00 0.00 C ATOM 1017 OG SER A 67 -3.676 -11.955 3.063 1.00 0.00 O ATOM 0 H SER A 67 -4.299 -9.903 -0.634 1.00 0.00 H new ATOM 0 HA SER A 67 -4.742 -11.602 0.724 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.619 -10.685 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.662 -9.898 3.005 1.00 0.00 H new ATOM 0 HG SER A 67 -4.580 -12.053 3.428 1.00 0.00 H new ATOM 1023 N SER A 68 -7.034 -10.004 1.188 1.00 0.00 N ATOM 1024 CA SER A 68 -8.368 -9.752 1.719 1.00 0.00 C ATOM 1025 C SER A 68 -9.071 -11.062 2.064 1.00 0.00 C ATOM 1026 O SER A 68 -9.065 -12.009 1.279 1.00 0.00 O ATOM 1027 CB SER A 68 -9.203 -8.964 0.707 1.00 0.00 C ATOM 1028 OG SER A 68 -9.506 -9.754 -0.429 1.00 0.00 O ATOM 0 H SER A 68 -6.934 -9.812 0.191 1.00 0.00 H new ATOM 0 HA SER A 68 -8.264 -9.163 2.630 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.127 -8.628 1.177 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.659 -8.071 0.398 1.00 0.00 H new ATOM 0 HG SER A 68 -10.041 -9.228 -1.060 1.00 0.00 H new ATOM 1034 N GLY A 69 -9.678 -11.106 3.247 1.00 0.00 N ATOM 1035 CA GLY A 69 -10.378 -12.303 3.677 1.00 0.00 C ATOM 1036 C GLY A 69 -11.787 -12.381 3.124 1.00 0.00 C ATOM 1037 O GLY A 69 -12.148 -11.673 2.184 1.00 0.00 O ATOM 0 H GLY A 69 -9.697 -10.335 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.817 -13.182 3.359 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.417 -12.326 4.766 1.00 0.00 H new ATOM 1041 N PRO A 70 -12.610 -13.262 3.713 1.00 0.00 N ATOM 1042 CA PRO A 70 -14.000 -13.452 3.289 1.00 0.00 C ATOM 1043 C PRO A 70 -14.879 -12.254 3.630 1.00 0.00 C ATOM 1044 O PRO A 70 -15.492 -12.205 4.697 1.00 0.00 O ATOM 1045 CB PRO A 70 -14.446 -14.685 4.080 1.00 0.00 C ATOM 1046 CG PRO A 70 -13.568 -14.702 5.283 1.00 0.00 C ATOM 1047 CD PRO A 70 -12.246 -14.139 4.839 1.00 0.00 C ATOM 0 HA PRO A 70 -14.085 -13.568 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.498 -14.617 4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.330 -15.596 3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -13.996 -14.104 6.087 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -13.451 -15.716 5.667 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -11.757 -13.584 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.558 -14.926 4.530 1.00 0.00 H new ATOM 1055 N SER A 71 -14.937 -11.289 2.718 1.00 0.00 N ATOM 1056 CA SER A 71 -15.739 -10.089 2.924 1.00 0.00 C ATOM 1057 C SER A 71 -17.195 -10.449 3.200 1.00 0.00 C ATOM 1058 O SER A 71 -17.776 -10.014 4.194 1.00 0.00 O ATOM 1059 CB SER A 71 -15.651 -9.175 1.700 1.00 0.00 C ATOM 1060 OG SER A 71 -14.302 -8.890 1.372 1.00 0.00 O ATOM 0 H SER A 71 -14.438 -11.315 1.829 1.00 0.00 H new ATOM 0 HA SER A 71 -15.343 -9.562 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.142 -9.651 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.185 -8.245 1.897 1.00 0.00 H new ATOM 0 HG SER A 71 -14.273 -8.306 0.586 1.00 0.00 H new ATOM 1066 N SER A 72 -17.779 -11.247 2.311 1.00 0.00 N ATOM 1067 CA SER A 72 -19.169 -11.664 2.456 1.00 0.00 C ATOM 1068 C SER A 72 -19.300 -12.762 3.507 1.00 0.00 C ATOM 1069 O SER A 72 -20.040 -12.620 4.480 1.00 0.00 O ATOM 1070 CB SER A 72 -19.718 -12.157 1.116 1.00 0.00 C ATOM 1071 OG SER A 72 -19.971 -11.074 0.239 1.00 0.00 O ATOM 0 H SER A 72 -17.311 -11.617 1.484 1.00 0.00 H new ATOM 0 HA SER A 72 -19.749 -10.801 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 72 -19.005 -12.842 0.657 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.638 -12.718 1.281 1.00 0.00 H new ATOM 0 HG SER A 72 -20.319 -11.416 -0.611 1.00 0.00 H new ATOM 1077 N GLY A 73 -18.576 -13.858 3.303 1.00 0.00 N ATOM 1078 CA GLY A 73 -18.625 -14.965 4.240 1.00 0.00 C ATOM 1079 C GLY A 73 -17.831 -16.165 3.763 1.00 0.00 C ATOM 1080 O GLY A 73 -16.866 -16.575 4.407 1.00 0.00 O ATOM 0 H GLY A 73 -17.956 -13.999 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.238 -14.637 5.205 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -19.663 -15.259 4.396 1.00 0.00 H new TER 1084 GLY A 73