USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 706 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 30 THR OG1 : rot -97:sc= -0.115 USER MOD Set 1.2: A 31 GLN : amide:sc= -1.75 K(o=-1.9,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ -176:sc= 0 (180deg=-0.0221) 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 5 SER OG : rot 15:sc= 1.13 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.698 X(o=-0.7,f=-0.34) USER MOD Single : A 12 CYS SG : rot 102:sc= 0.0747 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -46:sc= 0.938 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0282) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.975 K(o=-0.98,f=-2.3!) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -3.58! C(o=-3.6!,f=-4.9!) USER MOD Single : A 50 ASN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 51 SER OG : rot 41:sc= 0.365 USER MOD Single : A 53 SER OG : rot 180:sc=0.000495 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.4!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0812 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 120:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 16:sc= 0.665! USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.299 7.859 25.730 1.00 0.00 N ATOM 2 CA GLY A 1 3.247 7.511 24.793 1.00 0.00 C ATOM 3 C GLY A 1 2.169 8.574 24.711 1.00 0.00 C ATOM 4 O GLY A 1 1.706 8.916 23.623 1.00 0.00 O ATOM 0 H1 GLY A 1 5.044 7.134 25.700 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.703 8.782 25.472 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.905 7.910 26.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.680 7.360 23.804 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.797 6.564 25.092 1.00 0.00 H new ATOM 8 N SER A 2 1.767 9.097 25.865 1.00 0.00 N ATOM 9 CA SER A 2 0.732 10.124 25.920 1.00 0.00 C ATOM 10 C SER A 2 0.819 11.048 24.710 1.00 0.00 C ATOM 11 O SER A 2 -0.178 11.298 24.033 1.00 0.00 O ATOM 12 CB SER A 2 0.861 10.938 27.209 1.00 0.00 C ATOM 13 OG SER A 2 -0.126 11.954 27.271 1.00 0.00 O ATOM 0 H SER A 2 2.142 8.827 26.774 1.00 0.00 H new ATOM 0 HA SER A 2 -0.239 9.629 25.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.763 10.278 28.071 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.853 11.386 27.262 1.00 0.00 H new ATOM 0 HG SER A 2 -0.024 12.459 28.104 1.00 0.00 H new ATOM 19 N SER A 3 2.020 11.552 24.443 1.00 0.00 N ATOM 20 CA SER A 3 2.238 12.452 23.317 1.00 0.00 C ATOM 21 C SER A 3 1.837 11.787 22.004 1.00 0.00 C ATOM 22 O SER A 3 2.308 10.698 21.678 1.00 0.00 O ATOM 23 CB SER A 3 3.706 12.882 23.257 1.00 0.00 C ATOM 24 OG SER A 3 4.138 13.396 24.505 1.00 0.00 O ATOM 0 H SER A 3 2.857 11.352 24.991 1.00 0.00 H new ATOM 0 HA SER A 3 1.614 13.334 23.463 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.326 12.031 22.976 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.835 13.639 22.484 1.00 0.00 H new ATOM 0 HG SER A 3 5.079 13.662 24.441 1.00 0.00 H new ATOM 30 N GLY A 4 0.963 12.451 21.254 1.00 0.00 N ATOM 31 CA GLY A 4 0.512 11.910 19.985 1.00 0.00 C ATOM 32 C GLY A 4 -0.777 11.123 20.116 1.00 0.00 C ATOM 33 O GLY A 4 -0.782 9.900 19.980 1.00 0.00 O ATOM 0 H GLY A 4 0.559 13.354 21.503 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.366 12.726 19.277 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.288 11.265 19.572 1.00 0.00 H new ATOM 37 N SER A 5 -1.873 11.827 20.382 1.00 0.00 N ATOM 38 CA SER A 5 -3.174 11.186 20.537 1.00 0.00 C ATOM 39 C SER A 5 -4.156 11.689 19.483 1.00 0.00 C ATOM 40 O SER A 5 -4.609 12.832 19.537 1.00 0.00 O ATOM 41 CB SER A 5 -3.732 11.448 21.937 1.00 0.00 C ATOM 42 OG SER A 5 -4.101 12.807 22.092 1.00 0.00 O ATOM 0 H SER A 5 -1.886 12.841 20.495 1.00 0.00 H new ATOM 0 HA SER A 5 -3.041 10.113 20.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.599 10.810 22.112 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.985 11.183 22.685 1.00 0.00 H new ATOM 0 HG SER A 5 -4.144 13.237 21.212 1.00 0.00 H new ATOM 48 N SER A 6 -4.480 10.826 18.525 1.00 0.00 N ATOM 49 CA SER A 6 -5.405 11.183 17.456 1.00 0.00 C ATOM 50 C SER A 6 -5.096 12.574 16.912 1.00 0.00 C ATOM 51 O SER A 6 -5.999 13.321 16.538 1.00 0.00 O ATOM 52 CB SER A 6 -6.848 11.129 17.963 1.00 0.00 C ATOM 53 OG SER A 6 -7.753 10.890 16.899 1.00 0.00 O ATOM 0 H SER A 6 -4.116 9.875 18.467 1.00 0.00 H new ATOM 0 HA SER A 6 -5.284 10.462 16.648 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.945 10.342 18.711 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.100 12.069 18.455 1.00 0.00 H new ATOM 0 HG SER A 6 -8.668 10.858 17.249 1.00 0.00 H new ATOM 59 N GLY A 7 -3.812 12.916 16.872 1.00 0.00 N ATOM 60 CA GLY A 7 -3.405 14.216 16.373 1.00 0.00 C ATOM 61 C GLY A 7 -3.338 14.261 14.859 1.00 0.00 C ATOM 62 O GLY A 7 -2.282 14.026 14.271 1.00 0.00 O ATOM 0 H GLY A 7 -3.046 12.315 17.177 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.106 14.973 16.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.428 14.470 16.785 1.00 0.00 H new ATOM 66 N SER A 8 -4.467 14.563 14.227 1.00 0.00 N ATOM 67 CA SER A 8 -4.533 14.633 12.772 1.00 0.00 C ATOM 68 C SER A 8 -5.056 15.992 12.316 1.00 0.00 C ATOM 69 O SER A 8 -6.036 16.503 12.856 1.00 0.00 O ATOM 70 CB SER A 8 -5.429 13.519 12.227 1.00 0.00 C ATOM 71 OG SER A 8 -4.680 12.346 11.959 1.00 0.00 O ATOM 0 H SER A 8 -5.349 14.763 14.699 1.00 0.00 H new ATOM 0 HA SER A 8 -3.524 14.502 12.380 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.215 13.295 12.948 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.920 13.857 11.314 1.00 0.00 H new ATOM 0 HG SER A 8 -5.276 11.649 11.613 1.00 0.00 H new ATOM 77 N GLN A 9 -4.395 16.569 11.318 1.00 0.00 N ATOM 78 CA GLN A 9 -4.793 17.869 10.790 1.00 0.00 C ATOM 79 C GLN A 9 -5.645 17.708 9.535 1.00 0.00 C ATOM 80 O GLN A 9 -5.147 17.818 8.416 1.00 0.00 O ATOM 81 CB GLN A 9 -3.558 18.715 10.477 1.00 0.00 C ATOM 82 CG GLN A 9 -3.877 20.175 10.197 1.00 0.00 C ATOM 83 CD GLN A 9 -4.716 20.809 11.288 1.00 0.00 C ATOM 84 OE1 GLN A 9 -4.187 21.373 12.246 1.00 0.00 O ATOM 85 NE2 GLN A 9 -6.034 20.721 11.148 1.00 0.00 N ATOM 0 H GLN A 9 -3.582 16.158 10.859 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.389 18.375 11.549 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.866 18.657 11.317 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.047 18.291 9.613 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.946 20.732 10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.406 20.252 9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.430 20.244 10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.650 21.130 11.851 1.00 0.00 H new ATOM 94 N GLY A 10 -6.934 17.447 9.731 1.00 0.00 N ATOM 95 CA GLY A 10 -7.835 17.275 8.606 1.00 0.00 C ATOM 96 C GLY A 10 -7.241 16.408 7.514 1.00 0.00 C ATOM 97 O GLY A 10 -6.427 15.526 7.787 1.00 0.00 O ATOM 0 H GLY A 10 -7.370 17.352 10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.766 16.827 8.955 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.086 18.252 8.193 1.00 0.00 H new ATOM 101 N ASP A 11 -7.648 16.659 6.275 1.00 0.00 N ATOM 102 CA ASP A 11 -7.151 15.894 5.137 1.00 0.00 C ATOM 103 C ASP A 11 -6.056 16.662 4.402 1.00 0.00 C ATOM 104 O ASP A 11 -6.341 17.538 3.585 1.00 0.00 O ATOM 105 CB ASP A 11 -8.294 15.566 4.176 1.00 0.00 C ATOM 106 CG ASP A 11 -7.801 14.986 2.865 1.00 0.00 C ATOM 107 OD1 ASP A 11 -7.046 15.682 2.154 1.00 0.00 O ATOM 108 OD2 ASP A 11 -8.169 13.835 2.551 1.00 0.00 O ATOM 0 H ASP A 11 -8.321 17.386 6.033 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.727 14.964 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -8.972 14.857 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.868 16.471 3.976 1.00 0.00 H new ATOM 113 N CYS A 12 -4.805 16.329 4.700 1.00 0.00 N ATOM 114 CA CYS A 12 -3.668 16.989 4.069 1.00 0.00 C ATOM 115 C CYS A 12 -3.836 17.032 2.554 1.00 0.00 C ATOM 116 O CYS A 12 -4.615 16.269 1.984 1.00 0.00 O ATOM 117 CB CYS A 12 -2.369 16.268 4.430 1.00 0.00 C ATOM 118 SG CYS A 12 -2.277 14.566 3.825 1.00 0.00 S ATOM 0 H CYS A 12 -4.553 15.606 5.374 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.622 18.013 4.440 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -1.528 16.832 4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.258 16.263 5.514 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.533 14.524 2.760 1.00 0.00 H new ATOM 124 N SER A 13 -3.102 17.932 1.907 1.00 0.00 N ATOM 125 CA SER A 13 -3.173 18.079 0.458 1.00 0.00 C ATOM 126 C SER A 13 -2.100 17.239 -0.227 1.00 0.00 C ATOM 127 O SER A 13 -2.405 16.332 -1.001 1.00 0.00 O ATOM 128 CB SER A 13 -3.015 19.549 0.065 1.00 0.00 C ATOM 129 OG SER A 13 -3.965 20.361 0.735 1.00 0.00 O ATOM 0 H SER A 13 -2.451 18.571 2.364 1.00 0.00 H new ATOM 0 HA SER A 13 -4.150 17.726 0.129 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.008 19.887 0.307 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.136 19.656 -1.013 1.00 0.00 H new ATOM 0 HG SER A 13 -3.842 21.296 0.468 1.00 0.00 H new ATOM 135 N TYR A 14 -0.841 17.549 0.064 1.00 0.00 N ATOM 136 CA TYR A 14 0.279 16.825 -0.525 1.00 0.00 C ATOM 137 C TYR A 14 0.292 15.371 -0.064 1.00 0.00 C ATOM 138 O TYR A 14 -0.250 15.037 0.990 1.00 0.00 O ATOM 139 CB TYR A 14 1.601 17.500 -0.155 1.00 0.00 C ATOM 140 CG TYR A 14 2.072 18.510 -1.177 1.00 0.00 C ATOM 141 CD1 TYR A 14 1.557 19.800 -1.196 1.00 0.00 C ATOM 142 CD2 TYR A 14 3.033 18.174 -2.122 1.00 0.00 C ATOM 143 CE1 TYR A 14 1.984 20.726 -2.129 1.00 0.00 C ATOM 144 CE2 TYR A 14 3.467 19.093 -3.058 1.00 0.00 C ATOM 145 CZ TYR A 14 2.940 20.368 -3.057 1.00 0.00 C ATOM 146 OH TYR A 14 3.369 21.287 -3.987 1.00 0.00 O ATOM 0 H TYR A 14 -0.571 18.296 0.704 1.00 0.00 H new ATOM 0 HA TYR A 14 0.160 16.843 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.489 17.996 0.809 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.368 16.735 -0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.810 20.084 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.448 17.177 -2.125 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.572 21.724 -2.132 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.214 18.815 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 14 4.045 20.876 -4.566 1.00 0.00 H new ATOM 156 N SER A 15 0.915 14.509 -0.861 1.00 0.00 N ATOM 157 CA SER A 15 0.997 13.090 -0.538 1.00 0.00 C ATOM 158 C SER A 15 2.409 12.560 -0.767 1.00 0.00 C ATOM 159 O SER A 15 2.654 11.357 -0.685 1.00 0.00 O ATOM 160 CB SER A 15 -0.001 12.295 -1.382 1.00 0.00 C ATOM 161 OG SER A 15 -1.297 12.333 -0.810 1.00 0.00 O ATOM 0 H SER A 15 1.371 14.769 -1.736 1.00 0.00 H new ATOM 0 HA SER A 15 0.749 12.968 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.034 12.703 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.332 11.261 -1.467 1.00 0.00 H new ATOM 0 HG SER A 15 -1.917 11.819 -1.369 1.00 0.00 H new ATOM 167 N ARG A 16 3.335 13.469 -1.056 1.00 0.00 N ATOM 168 CA ARG A 16 4.723 13.095 -1.298 1.00 0.00 C ATOM 169 C ARG A 16 5.128 11.912 -0.424 1.00 0.00 C ATOM 170 O ARG A 16 5.649 10.911 -0.916 1.00 0.00 O ATOM 171 CB ARG A 16 5.649 14.283 -1.029 1.00 0.00 C ATOM 172 CG ARG A 16 7.120 13.969 -1.241 1.00 0.00 C ATOM 173 CD ARG A 16 7.529 14.171 -2.692 1.00 0.00 C ATOM 174 NE ARG A 16 8.946 13.887 -2.906 1.00 0.00 N ATOM 175 CZ ARG A 16 9.916 14.761 -2.661 1.00 0.00 C ATOM 176 NH1 ARG A 16 9.623 15.968 -2.195 1.00 0.00 N ATOM 177 NH2 ARG A 16 11.181 14.429 -2.881 1.00 0.00 N ATOM 0 H ARG A 16 3.149 14.469 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 16 4.816 12.801 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.365 15.109 -1.681 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.503 14.622 -0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.726 14.608 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.320 12.939 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.929 13.523 -3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.316 15.198 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 16 9.205 12.967 -3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.651 16.227 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.369 16.637 -2.008 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.410 13.502 -3.239 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.925 15.101 -2.692 1.00 0.00 H new ATOM 191 N THR A 17 4.886 12.035 0.878 1.00 0.00 N ATOM 192 CA THR A 17 5.227 10.977 1.821 1.00 0.00 C ATOM 193 C THR A 17 3.979 10.414 2.490 1.00 0.00 C ATOM 194 O THR A 17 3.938 10.246 3.708 1.00 0.00 O ATOM 195 CB THR A 17 6.193 11.485 2.908 1.00 0.00 C ATOM 196 OG1 THR A 17 5.707 12.712 3.462 1.00 0.00 O ATOM 197 CG2 THR A 17 7.587 11.698 2.337 1.00 0.00 C ATOM 0 H THR A 17 4.455 12.856 1.303 1.00 0.00 H new ATOM 0 HA THR A 17 5.716 10.189 1.249 1.00 0.00 H new ATOM 0 HB THR A 17 6.250 10.730 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.326 13.027 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.251 12.057 3.123 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.967 10.755 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.543 12.435 1.535 1.00 0.00 H new ATOM 205 N ALA A 18 2.962 10.123 1.685 1.00 0.00 N ATOM 206 CA ALA A 18 1.713 9.575 2.199 1.00 0.00 C ATOM 207 C ALA A 18 1.769 8.053 2.272 1.00 0.00 C ATOM 208 O ALA A 18 1.756 7.472 3.358 1.00 0.00 O ATOM 209 CB ALA A 18 0.544 10.021 1.333 1.00 0.00 C ATOM 0 H ALA A 18 2.979 10.258 0.674 1.00 0.00 H new ATOM 0 HA ALA A 18 1.568 9.956 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.382 9.604 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.483 11.109 1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.693 9.670 0.312 1.00 0.00 H new ATOM 215 N LEU A 19 1.832 7.412 1.110 1.00 0.00 N ATOM 216 CA LEU A 19 1.890 5.956 1.041 1.00 0.00 C ATOM 217 C LEU A 19 2.845 5.399 2.092 1.00 0.00 C ATOM 218 O LEU A 19 2.731 4.243 2.499 1.00 0.00 O ATOM 219 CB LEU A 19 2.330 5.509 -0.354 1.00 0.00 C ATOM 220 CG LEU A 19 1.807 6.344 -1.523 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.165 5.690 -2.848 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.302 6.535 -1.410 1.00 0.00 C ATOM 0 H LEU A 19 1.844 7.878 0.203 1.00 0.00 H new ATOM 0 HA LEU A 19 0.892 5.567 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.419 5.515 -0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.012 4.477 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 19 2.282 7.325 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.785 6.298 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.249 5.605 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.719 4.697 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.053 7.132 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.190 5.562 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.069 7.048 -0.477 1.00 0.00 H new ATOM 234 N TYR A 20 3.786 6.230 2.527 1.00 0.00 N ATOM 235 CA TYR A 20 4.762 5.820 3.531 1.00 0.00 C ATOM 236 C TYR A 20 4.200 5.991 4.939 1.00 0.00 C ATOM 237 O TYR A 20 4.472 5.186 5.830 1.00 0.00 O ATOM 238 CB TYR A 20 6.050 6.632 3.381 1.00 0.00 C ATOM 239 CG TYR A 20 6.615 6.617 1.979 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.059 7.400 0.975 1.00 0.00 C ATOM 241 CD2 TYR A 20 7.708 5.821 1.658 1.00 0.00 C ATOM 242 CE1 TYR A 20 6.572 7.389 -0.307 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.229 5.805 0.379 1.00 0.00 C ATOM 244 CZ TYR A 20 7.657 6.590 -0.600 1.00 0.00 C ATOM 245 OH TYR A 20 8.173 6.577 -1.876 1.00 0.00 O ATOM 0 H TYR A 20 3.894 7.190 2.201 1.00 0.00 H new ATOM 0 HA TYR A 20 4.985 4.765 3.375 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.855 7.664 3.674 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.799 6.241 4.070 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.210 8.029 1.201 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.158 5.204 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.126 8.003 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.080 5.181 0.147 1.00 0.00 H new ATOM 0 HH TYR A 20 8.936 5.963 -1.914 1.00 0.00 H new ATOM 255 N ASP A 21 3.415 7.045 5.131 1.00 0.00 N ATOM 256 CA ASP A 21 2.812 7.323 6.429 1.00 0.00 C ATOM 257 C ASP A 21 1.759 6.274 6.775 1.00 0.00 C ATOM 258 O ASP A 21 1.777 5.694 7.861 1.00 0.00 O ATOM 259 CB ASP A 21 2.183 8.717 6.436 1.00 0.00 C ATOM 260 CG ASP A 21 1.157 8.884 7.540 1.00 0.00 C ATOM 261 OD1 ASP A 21 0.008 8.428 7.357 1.00 0.00 O ATOM 262 OD2 ASP A 21 1.503 9.469 8.587 1.00 0.00 O ATOM 0 H ASP A 21 3.181 7.721 4.404 1.00 0.00 H new ATOM 0 HA ASP A 21 3.599 7.285 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.966 9.465 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.709 8.903 5.472 1.00 0.00 H new ATOM 267 N LEU A 22 0.840 6.037 5.845 1.00 0.00 N ATOM 268 CA LEU A 22 -0.222 5.059 6.050 1.00 0.00 C ATOM 269 C LEU A 22 0.320 3.796 6.712 1.00 0.00 C ATOM 270 O LEU A 22 -0.191 3.354 7.742 1.00 0.00 O ATOM 271 CB LEU A 22 -0.883 4.706 4.717 1.00 0.00 C ATOM 272 CG LEU A 22 -1.825 5.761 4.135 1.00 0.00 C ATOM 273 CD1 LEU A 22 -1.060 6.725 3.241 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.956 5.098 3.362 1.00 0.00 C ATOM 0 H LEU A 22 0.809 6.509 4.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.967 5.503 6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.099 4.506 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.443 3.780 4.846 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.258 6.328 4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.747 7.468 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.286 7.225 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.598 6.173 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.616 5.864 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.541 4.506 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.522 4.449 4.030 1.00 0.00 H new ATOM 286 N LEU A 23 1.359 3.222 6.116 1.00 0.00 N ATOM 287 CA LEU A 23 1.973 2.011 6.648 1.00 0.00 C ATOM 288 C LEU A 23 2.889 2.336 7.824 1.00 0.00 C ATOM 289 O LEU A 23 2.832 1.687 8.867 1.00 0.00 O ATOM 290 CB LEU A 23 2.765 1.294 5.553 1.00 0.00 C ATOM 291 CG LEU A 23 1.992 0.261 4.732 1.00 0.00 C ATOM 292 CD1 LEU A 23 0.754 0.891 4.112 1.00 0.00 C ATOM 293 CD2 LEU A 23 2.883 -0.341 3.656 1.00 0.00 C ATOM 0 H LEU A 23 1.794 3.576 5.264 1.00 0.00 H new ATOM 0 HA LEU A 23 1.177 1.355 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.165 2.045 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.618 0.797 6.016 1.00 0.00 H new ATOM 0 HG LEU A 23 1.672 -0.540 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.216 0.141 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.106 1.272 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.052 1.711 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.316 -1.074 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.234 0.448 2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.738 -0.829 4.123 1.00 0.00 H new ATOM 305 N GLY A 24 3.733 3.349 7.648 1.00 0.00 N ATOM 306 CA GLY A 24 4.647 3.744 8.703 1.00 0.00 C ATOM 307 C GLY A 24 6.084 3.374 8.394 1.00 0.00 C ATOM 308 O GLY A 24 6.896 3.197 9.302 1.00 0.00 O ATOM 0 H GLY A 24 3.799 3.902 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.577 4.821 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.346 3.270 9.637 1.00 0.00 H new ATOM 312 N VAL A 25 6.399 3.254 7.108 1.00 0.00 N ATOM 313 CA VAL A 25 7.748 2.901 6.682 1.00 0.00 C ATOM 314 C VAL A 25 8.476 4.109 6.104 1.00 0.00 C ATOM 315 O VAL A 25 7.866 5.032 5.563 1.00 0.00 O ATOM 316 CB VAL A 25 7.728 1.776 5.629 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.097 0.518 6.204 1.00 0.00 C ATOM 318 CG2 VAL A 25 6.988 2.230 4.380 1.00 0.00 C ATOM 0 H VAL A 25 5.739 3.396 6.344 1.00 0.00 H new ATOM 0 HA VAL A 25 8.278 2.551 7.568 1.00 0.00 H new ATOM 0 HB VAL A 25 8.756 1.543 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.092 -0.265 5.446 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.673 0.184 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.073 0.732 6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.983 1.424 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.962 2.491 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.488 3.102 3.958 1.00 0.00 H new ATOM 328 N PRO A 26 9.812 4.106 6.219 1.00 0.00 N ATOM 329 CA PRO A 26 10.653 5.195 5.713 1.00 0.00 C ATOM 330 C PRO A 26 10.686 5.242 4.189 1.00 0.00 C ATOM 331 O PRO A 26 10.183 4.340 3.520 1.00 0.00 O ATOM 332 CB PRO A 26 12.039 4.860 6.269 1.00 0.00 C ATOM 333 CG PRO A 26 12.019 3.385 6.474 1.00 0.00 C ATOM 334 CD PRO A 26 10.605 3.039 6.852 1.00 0.00 C ATOM 0 HA PRO A 26 10.281 6.173 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.826 5.152 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.228 5.387 7.204 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.320 2.861 5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.716 3.090 7.259 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.320 2.054 6.483 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.470 3.026 7.934 1.00 0.00 H new ATOM 342 N SER A 27 11.283 6.299 3.647 1.00 0.00 N ATOM 343 CA SER A 27 11.379 6.464 2.202 1.00 0.00 C ATOM 344 C SER A 27 12.294 5.406 1.593 1.00 0.00 C ATOM 345 O SER A 27 12.223 5.119 0.398 1.00 0.00 O ATOM 346 CB SER A 27 11.900 7.862 1.861 1.00 0.00 C ATOM 347 OG SER A 27 11.785 8.124 0.473 1.00 0.00 O ATOM 0 H SER A 27 11.707 7.053 4.187 1.00 0.00 H new ATOM 0 HA SER A 27 10.381 6.342 1.780 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.340 8.609 2.423 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.943 7.949 2.166 1.00 0.00 H new ATOM 0 HG SER A 27 12.123 9.024 0.281 1.00 0.00 H new ATOM 353 N THR A 28 13.155 4.827 2.425 1.00 0.00 N ATOM 354 CA THR A 28 14.085 3.802 1.971 1.00 0.00 C ATOM 355 C THR A 28 13.879 2.497 2.732 1.00 0.00 C ATOM 356 O THR A 28 14.821 1.732 2.938 1.00 0.00 O ATOM 357 CB THR A 28 15.547 4.255 2.140 1.00 0.00 C ATOM 358 OG1 THR A 28 16.430 3.289 1.560 1.00 0.00 O ATOM 359 CG2 THR A 28 15.890 4.444 3.610 1.00 0.00 C ATOM 0 H THR A 28 13.227 5.051 3.417 1.00 0.00 H new ATOM 0 HA THR A 28 13.883 3.639 0.912 1.00 0.00 H new ATOM 0 HB THR A 28 15.668 5.210 1.629 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.157 2.389 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.928 4.764 3.703 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.236 5.202 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.752 3.502 4.140 1.00 0.00 H new ATOM 367 N ALA A 29 12.641 2.248 3.146 1.00 0.00 N ATOM 368 CA ALA A 29 12.311 1.033 3.882 1.00 0.00 C ATOM 369 C ALA A 29 12.765 -0.209 3.122 1.00 0.00 C ATOM 370 O ALA A 29 13.261 -0.116 1.999 1.00 0.00 O ATOM 371 CB ALA A 29 10.815 0.971 4.153 1.00 0.00 C ATOM 0 H ALA A 29 11.850 2.871 2.984 1.00 0.00 H new ATOM 0 HA ALA A 29 12.841 1.058 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.582 0.059 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.516 1.837 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.274 0.972 3.207 1.00 0.00 H new ATOM 377 N THR A 30 12.593 -1.372 3.743 1.00 0.00 N ATOM 378 CA THR A 30 12.987 -2.632 3.126 1.00 0.00 C ATOM 379 C THR A 30 11.778 -3.529 2.886 1.00 0.00 C ATOM 380 O THR A 30 10.826 -3.523 3.666 1.00 0.00 O ATOM 381 CB THR A 30 14.008 -3.389 3.998 1.00 0.00 C ATOM 382 OG1 THR A 30 14.247 -4.692 3.453 1.00 0.00 O ATOM 383 CG2 THR A 30 13.508 -3.516 5.429 1.00 0.00 C ATOM 0 H THR A 30 12.184 -1.467 4.672 1.00 0.00 H new ATOM 0 HA THR A 30 13.448 -2.385 2.170 1.00 0.00 H new ATOM 0 HB THR A 30 14.939 -2.822 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 30 13.691 -5.349 3.921 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.245 -4.054 6.026 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.355 -2.522 5.850 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.565 -4.063 5.438 1.00 0.00 H new ATOM 391 N GLN A 31 11.823 -4.298 1.804 1.00 0.00 N ATOM 392 CA GLN A 31 10.729 -5.200 1.462 1.00 0.00 C ATOM 393 C GLN A 31 10.145 -5.846 2.714 1.00 0.00 C ATOM 394 O GLN A 31 8.928 -5.958 2.856 1.00 0.00 O ATOM 395 CB GLN A 31 11.215 -6.281 0.495 1.00 0.00 C ATOM 396 CG GLN A 31 11.984 -7.403 1.173 1.00 0.00 C ATOM 397 CD GLN A 31 13.322 -6.945 1.721 1.00 0.00 C ATOM 398 OE1 GLN A 31 13.672 -7.242 2.864 1.00 0.00 O ATOM 399 NE2 GLN A 31 14.078 -6.219 0.907 1.00 0.00 N ATOM 0 H GLN A 31 12.605 -4.315 1.149 1.00 0.00 H new ATOM 0 HA GLN A 31 9.947 -4.615 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.356 -6.704 -0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.851 -5.821 -0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 31 11.383 -7.811 1.986 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.145 -8.211 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.748 -5.997 -0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.989 -5.884 1.221 1.00 0.00 H new ATOM 408 N ALA A 32 11.021 -6.269 3.619 1.00 0.00 N ATOM 409 CA ALA A 32 10.592 -6.903 4.860 1.00 0.00 C ATOM 410 C ALA A 32 9.583 -6.032 5.600 1.00 0.00 C ATOM 411 O ALA A 32 8.578 -6.528 6.109 1.00 0.00 O ATOM 412 CB ALA A 32 11.793 -7.192 5.747 1.00 0.00 C ATOM 0 H ALA A 32 12.032 -6.184 3.516 1.00 0.00 H new ATOM 0 HA ALA A 32 10.105 -7.845 4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.458 -7.665 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.479 -7.859 5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.304 -6.259 5.983 1.00 0.00 H new ATOM 418 N GLN A 33 9.858 -4.733 5.657 1.00 0.00 N ATOM 419 CA GLN A 33 8.974 -3.794 6.337 1.00 0.00 C ATOM 420 C GLN A 33 7.733 -3.508 5.497 1.00 0.00 C ATOM 421 O GLN A 33 6.620 -3.878 5.871 1.00 0.00 O ATOM 422 CB GLN A 33 9.713 -2.489 6.635 1.00 0.00 C ATOM 423 CG GLN A 33 10.705 -2.600 7.783 1.00 0.00 C ATOM 424 CD GLN A 33 10.880 -1.293 8.531 1.00 0.00 C ATOM 425 OE1 GLN A 33 10.130 -0.991 9.460 1.00 0.00 O ATOM 426 NE2 GLN A 33 11.874 -0.510 8.130 1.00 0.00 N ATOM 0 H GLN A 33 10.686 -4.307 5.240 1.00 0.00 H new ATOM 0 HA GLN A 33 8.658 -4.248 7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.242 -2.168 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.984 -1.714 6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.367 -3.369 8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.670 -2.924 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.471 -0.800 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.041 0.382 8.596 1.00 0.00 H new ATOM 435 N ILE A 34 7.933 -2.849 4.360 1.00 0.00 N ATOM 436 CA ILE A 34 6.831 -2.515 3.467 1.00 0.00 C ATOM 437 C ILE A 34 5.764 -3.605 3.479 1.00 0.00 C ATOM 438 O ILE A 34 4.574 -3.327 3.329 1.00 0.00 O ATOM 439 CB ILE A 34 7.320 -2.307 2.022 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.326 -1.155 1.962 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.142 -2.037 1.098 1.00 0.00 C ATOM 442 CD1 ILE A 34 9.052 -1.055 0.639 1.00 0.00 C ATOM 0 H ILE A 34 8.848 -2.536 4.036 1.00 0.00 H new ATOM 0 HA ILE A 34 6.400 -1.583 3.833 1.00 0.00 H new ATOM 0 HB ILE A 34 7.818 -3.217 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.804 -0.217 2.153 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.058 -1.280 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.504 -1.892 0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.458 -2.886 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.619 -1.140 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.748 -0.217 0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.602 -1.978 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.329 -0.898 -0.162 1.00 0.00 H new ATOM 454 N LYS A 35 6.199 -4.848 3.659 1.00 0.00 N ATOM 455 CA LYS A 35 5.282 -5.982 3.694 1.00 0.00 C ATOM 456 C LYS A 35 4.621 -6.105 5.063 1.00 0.00 C ATOM 457 O LYS A 35 3.404 -5.978 5.189 1.00 0.00 O ATOM 458 CB LYS A 35 6.026 -7.276 3.357 1.00 0.00 C ATOM 459 CG LYS A 35 5.111 -8.473 3.169 1.00 0.00 C ATOM 460 CD LYS A 35 5.827 -9.777 3.476 1.00 0.00 C ATOM 461 CE LYS A 35 6.495 -10.351 2.237 1.00 0.00 C ATOM 462 NZ LYS A 35 7.869 -9.810 2.046 1.00 0.00 N ATOM 0 H LYS A 35 7.181 -5.096 3.783 1.00 0.00 H new ATOM 0 HA LYS A 35 4.505 -5.812 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.605 -7.125 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.737 -7.494 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.242 -8.373 3.819 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.742 -8.492 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.576 -9.608 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.115 -10.499 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.541 -11.437 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.890 -10.123 1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.997 -9.532 1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.004 -8.980 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.567 -10.540 2.294 1.00 0.00 H new ATOM 476 N ALA A 36 5.432 -6.353 6.087 1.00 0.00 N ATOM 477 CA ALA A 36 4.926 -6.490 7.447 1.00 0.00 C ATOM 478 C ALA A 36 3.976 -5.349 7.796 1.00 0.00 C ATOM 479 O ALA A 36 3.041 -5.525 8.576 1.00 0.00 O ATOM 480 CB ALA A 36 6.080 -6.540 8.437 1.00 0.00 C ATOM 0 H ALA A 36 6.442 -6.463 6.000 1.00 0.00 H new ATOM 0 HA ALA A 36 4.368 -7.425 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.687 -6.642 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.719 -7.393 8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.661 -5.621 8.365 1.00 0.00 H new ATOM 486 N ALA A 37 4.223 -4.180 7.214 1.00 0.00 N ATOM 487 CA ALA A 37 3.388 -3.011 7.463 1.00 0.00 C ATOM 488 C ALA A 37 2.017 -3.167 6.815 1.00 0.00 C ATOM 489 O ALA A 37 0.991 -2.886 7.435 1.00 0.00 O ATOM 490 CB ALA A 37 4.075 -1.754 6.952 1.00 0.00 C ATOM 0 H ALA A 37 4.994 -4.017 6.567 1.00 0.00 H new ATOM 0 HA ALA A 37 3.244 -2.921 8.540 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.441 -0.889 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.028 -1.626 7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.249 -1.845 5.880 1.00 0.00 H new ATOM 496 N TYR A 38 2.006 -3.617 5.565 1.00 0.00 N ATOM 497 CA TYR A 38 0.760 -3.807 4.832 1.00 0.00 C ATOM 498 C TYR A 38 -0.097 -4.887 5.487 1.00 0.00 C ATOM 499 O TYR A 38 -1.326 -4.822 5.456 1.00 0.00 O ATOM 500 CB TYR A 38 1.052 -4.183 3.379 1.00 0.00 C ATOM 501 CG TYR A 38 -0.155 -4.713 2.637 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.135 -3.851 2.160 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.315 -6.075 2.413 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.239 -4.330 1.483 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.415 -6.563 1.735 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.374 -5.687 1.272 1.00 0.00 C ATOM 507 OH TYR A 38 -3.472 -6.169 0.597 1.00 0.00 O ATOM 0 H TYR A 38 2.846 -3.857 5.038 1.00 0.00 H new ATOM 0 HA TYR A 38 0.208 -2.868 4.853 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.434 -3.307 2.855 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.840 -4.936 3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.031 -2.788 2.322 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.434 -6.764 2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.993 -3.646 1.121 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.523 -7.625 1.568 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.414 -7.145 0.533 1.00 0.00 H new ATOM 517 N TYR A 39 0.561 -5.878 6.078 1.00 0.00 N ATOM 518 CA TYR A 39 -0.140 -6.973 6.739 1.00 0.00 C ATOM 519 C TYR A 39 -0.767 -6.506 8.049 1.00 0.00 C ATOM 520 O TYR A 39 -1.985 -6.564 8.222 1.00 0.00 O ATOM 521 CB TYR A 39 0.821 -8.133 7.005 1.00 0.00 C ATOM 522 CG TYR A 39 0.887 -9.136 5.875 1.00 0.00 C ATOM 523 CD1 TYR A 39 -0.273 -9.658 5.315 1.00 0.00 C ATOM 524 CD2 TYR A 39 2.108 -9.561 5.367 1.00 0.00 C ATOM 525 CE1 TYR A 39 -0.218 -10.575 4.283 1.00 0.00 C ATOM 526 CE2 TYR A 39 2.172 -10.476 4.335 1.00 0.00 C ATOM 527 CZ TYR A 39 1.007 -10.980 3.796 1.00 0.00 C ATOM 528 OH TYR A 39 1.067 -11.893 2.768 1.00 0.00 O ATOM 0 H TYR A 39 1.578 -5.946 6.113 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.937 -7.314 6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.819 -7.733 7.184 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.515 -8.645 7.917 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.234 -9.341 5.693 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.023 -9.169 5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.129 -10.972 3.860 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.130 -10.795 3.952 1.00 0.00 H new ATOM 0 HH TYR A 39 2.004 -12.071 2.542 1.00 0.00 H new ATOM 538 N ARG A 40 0.074 -6.044 8.968 1.00 0.00 N ATOM 539 CA ARG A 40 -0.397 -5.568 10.264 1.00 0.00 C ATOM 540 C ARG A 40 -1.663 -4.731 10.108 1.00 0.00 C ATOM 541 O ARG A 40 -2.555 -4.777 10.954 1.00 0.00 O ATOM 542 CB ARG A 40 0.691 -4.743 10.953 1.00 0.00 C ATOM 543 CG ARG A 40 1.165 -3.554 10.134 1.00 0.00 C ATOM 544 CD ARG A 40 2.103 -2.664 10.935 1.00 0.00 C ATOM 545 NE ARG A 40 1.391 -1.897 11.954 1.00 0.00 N ATOM 546 CZ ARG A 40 1.988 -1.327 12.995 1.00 0.00 C ATOM 547 NH1 ARG A 40 3.300 -1.437 13.154 1.00 0.00 N ATOM 548 NH2 ARG A 40 1.273 -0.645 13.880 1.00 0.00 N ATOM 0 H ARG A 40 1.084 -5.989 8.840 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.630 -6.437 10.880 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.312 -4.386 11.911 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.543 -5.388 11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.675 -3.908 9.238 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.304 -2.973 9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.867 -3.278 11.411 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.618 -1.980 10.261 1.00 0.00 H new ATOM 0 HE ARG A 40 0.381 -1.793 11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.854 -1.960 12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.755 -0.998 13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.264 -0.558 13.762 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.733 -0.208 14.679 1.00 0.00 H new ATOM 562 N GLN A 41 -1.732 -3.969 9.022 1.00 0.00 N ATOM 563 CA GLN A 41 -2.889 -3.121 8.757 1.00 0.00 C ATOM 564 C GLN A 41 -4.165 -3.952 8.671 1.00 0.00 C ATOM 565 O GLN A 41 -5.148 -3.669 9.357 1.00 0.00 O ATOM 566 CB GLN A 41 -2.687 -2.339 7.457 1.00 0.00 C ATOM 567 CG GLN A 41 -1.750 -1.151 7.602 1.00 0.00 C ATOM 568 CD GLN A 41 -2.049 -0.317 8.832 1.00 0.00 C ATOM 569 OE1 GLN A 41 -3.193 -0.242 9.281 1.00 0.00 O ATOM 570 NE2 GLN A 41 -1.020 0.315 9.384 1.00 0.00 N ATOM 0 H GLN A 41 -1.002 -3.921 8.312 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.990 -2.418 9.584 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.292 -3.012 6.696 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.655 -1.987 7.100 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.722 -1.509 7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.826 -0.523 6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.089 0.224 8.978 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.161 0.891 10.214 1.00 0.00 H new ATOM 579 N CYS A 42 -4.142 -4.976 7.826 1.00 0.00 N ATOM 580 CA CYS A 42 -5.298 -5.848 7.650 1.00 0.00 C ATOM 581 C CYS A 42 -5.913 -6.215 8.997 1.00 0.00 C ATOM 582 O CYS A 42 -7.125 -6.111 9.187 1.00 0.00 O ATOM 583 CB CYS A 42 -4.896 -7.117 6.897 1.00 0.00 C ATOM 584 SG CYS A 42 -6.230 -8.326 6.723 1.00 0.00 S ATOM 0 H CYS A 42 -3.336 -5.223 7.252 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.043 -5.308 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -4.539 -6.840 5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.061 -7.586 7.417 1.00 0.00 H new ATOM 0 HG CYS A 42 -5.794 -9.363 6.071 1.00 0.00 H new ATOM 590 N PHE A 43 -5.069 -6.646 9.929 1.00 0.00 N ATOM 591 CA PHE A 43 -5.529 -7.031 11.258 1.00 0.00 C ATOM 592 C PHE A 43 -6.280 -5.883 11.927 1.00 0.00 C ATOM 593 O PHE A 43 -7.408 -6.051 12.392 1.00 0.00 O ATOM 594 CB PHE A 43 -4.344 -7.456 12.128 1.00 0.00 C ATOM 595 CG PHE A 43 -4.650 -7.456 13.598 1.00 0.00 C ATOM 596 CD1 PHE A 43 -4.566 -6.287 14.337 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.021 -8.625 14.242 1.00 0.00 C ATOM 598 CE1 PHE A 43 -4.847 -6.283 15.690 1.00 0.00 C ATOM 599 CE2 PHE A 43 -5.303 -8.628 15.595 1.00 0.00 C ATOM 600 CZ PHE A 43 -5.215 -7.456 16.320 1.00 0.00 C ATOM 0 H PHE A 43 -4.063 -6.737 9.788 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.211 -7.874 11.149 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.025 -8.455 11.831 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.506 -6.785 11.939 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.277 -5.368 13.850 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.091 -9.545 13.680 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.779 -5.364 16.254 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.592 -9.546 16.085 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.433 -7.456 17.378 1.00 0.00 H new ATOM 610 N LEU A 44 -5.646 -4.717 11.973 1.00 0.00 N ATOM 611 CA LEU A 44 -6.252 -3.540 12.586 1.00 0.00 C ATOM 612 C LEU A 44 -7.684 -3.349 12.098 1.00 0.00 C ATOM 613 O LEU A 44 -8.608 -3.194 12.897 1.00 0.00 O ATOM 614 CB LEU A 44 -5.423 -2.293 12.271 1.00 0.00 C ATOM 615 CG LEU A 44 -4.132 -2.126 13.073 1.00 0.00 C ATOM 616 CD1 LEU A 44 -3.096 -1.361 12.263 1.00 0.00 C ATOM 617 CD2 LEU A 44 -4.410 -1.418 14.391 1.00 0.00 C ATOM 0 H LEU A 44 -4.712 -4.561 11.593 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.273 -3.692 13.665 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.169 -2.308 11.211 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.047 -1.415 12.437 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.733 -3.116 13.293 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.184 -1.252 12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.875 -1.908 11.346 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.486 -0.375 12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.480 -1.308 14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.833 -0.433 14.193 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.117 -2.005 14.977 1.00 0.00 H new ATOM 629 N TYR A 45 -7.862 -3.362 10.781 1.00 0.00 N ATOM 630 CA TYR A 45 -9.182 -3.190 10.186 1.00 0.00 C ATOM 631 C TYR A 45 -9.545 -4.386 9.312 1.00 0.00 C ATOM 632 O TYR A 45 -9.262 -4.403 8.114 1.00 0.00 O ATOM 633 CB TYR A 45 -9.228 -1.905 9.357 1.00 0.00 C ATOM 634 CG TYR A 45 -8.815 -0.672 10.129 1.00 0.00 C ATOM 635 CD1 TYR A 45 -9.724 0.003 10.934 1.00 0.00 C ATOM 636 CD2 TYR A 45 -7.518 -0.182 10.052 1.00 0.00 C ATOM 637 CE1 TYR A 45 -9.352 1.131 11.640 1.00 0.00 C ATOM 638 CE2 TYR A 45 -7.137 0.944 10.756 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.058 1.597 11.548 1.00 0.00 C ATOM 640 OH TYR A 45 -7.682 2.720 12.250 1.00 0.00 O ATOM 0 H TYR A 45 -7.108 -3.490 10.106 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.910 -3.119 10.994 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.575 -2.017 8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.240 -1.764 8.977 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.738 -0.360 11.009 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.795 -0.690 9.431 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.071 1.645 12.261 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.124 1.311 10.687 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.737 2.913 12.076 1.00 0.00 H new ATOM 650 N HIS A 46 -10.176 -5.386 9.920 1.00 0.00 N ATOM 651 CA HIS A 46 -10.581 -6.587 9.198 1.00 0.00 C ATOM 652 C HIS A 46 -11.727 -6.283 8.237 1.00 0.00 C ATOM 653 O HIS A 46 -12.643 -5.522 8.547 1.00 0.00 O ATOM 654 CB HIS A 46 -11.000 -7.681 10.180 1.00 0.00 C ATOM 655 CG HIS A 46 -10.749 -9.068 9.673 1.00 0.00 C ATOM 656 ND1 HIS A 46 -11.749 -10.005 9.520 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.604 -9.675 9.283 1.00 0.00 C ATOM 658 CE1 HIS A 46 -11.229 -11.129 9.058 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.929 -10.954 8.906 1.00 0.00 N ATOM 0 H HIS A 46 -10.418 -5.388 10.911 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.727 -6.938 8.618 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.461 -7.542 11.117 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.061 -7.571 10.403 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.618 -9.235 9.271 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.774 -12.036 8.842 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.273 -11.656 8.564 1.00 0.00 H new ATOM 667 N PRO A 47 -11.675 -6.890 7.042 1.00 0.00 N ATOM 668 CA PRO A 47 -12.700 -6.699 6.012 1.00 0.00 C ATOM 669 C PRO A 47 -14.029 -7.343 6.391 1.00 0.00 C ATOM 670 O PRO A 47 -15.017 -7.225 5.665 1.00 0.00 O ATOM 671 CB PRO A 47 -12.102 -7.391 4.784 1.00 0.00 C ATOM 672 CG PRO A 47 -11.164 -8.406 5.340 1.00 0.00 C ATOM 673 CD PRO A 47 -10.611 -7.810 6.605 1.00 0.00 C ATOM 0 HA PRO A 47 -12.929 -5.645 5.855 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -12.877 -7.859 4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.581 -6.680 4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.680 -9.344 5.544 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.366 -8.629 4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.408 -8.575 7.355 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.674 -7.284 6.425 1.00 0.00 H new ATOM 681 N ASP A 48 -14.047 -8.025 7.531 1.00 0.00 N ATOM 682 CA ASP A 48 -15.256 -8.686 8.008 1.00 0.00 C ATOM 683 C ASP A 48 -15.817 -7.976 9.236 1.00 0.00 C ATOM 684 O ASP A 48 -17.010 -7.681 9.303 1.00 0.00 O ATOM 685 CB ASP A 48 -14.965 -10.151 8.339 1.00 0.00 C ATOM 686 CG ASP A 48 -16.211 -10.910 8.750 1.00 0.00 C ATOM 687 OD1 ASP A 48 -17.086 -11.128 7.885 1.00 0.00 O ATOM 688 OD2 ASP A 48 -16.312 -11.288 9.935 1.00 0.00 O ATOM 0 H ASP A 48 -13.238 -8.135 8.142 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.001 -8.642 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.518 -10.635 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -14.231 -10.200 9.144 1.00 0.00 H new ATOM 693 N ARG A 49 -14.948 -7.705 10.204 1.00 0.00 N ATOM 694 CA ARG A 49 -15.357 -7.031 11.431 1.00 0.00 C ATOM 695 C ARG A 49 -15.948 -5.657 11.125 1.00 0.00 C ATOM 696 O ARG A 49 -17.037 -5.322 11.589 1.00 0.00 O ATOM 697 CB ARG A 49 -14.166 -6.886 12.380 1.00 0.00 C ATOM 698 CG ARG A 49 -13.980 -8.075 13.309 1.00 0.00 C ATOM 699 CD ARG A 49 -12.551 -8.162 13.821 1.00 0.00 C ATOM 700 NE ARG A 49 -12.384 -9.236 14.797 1.00 0.00 N ATOM 701 CZ ARG A 49 -11.203 -9.733 15.148 1.00 0.00 C ATOM 702 NH1 ARG A 49 -10.091 -9.254 14.607 1.00 0.00 N ATOM 703 NH2 ARG A 49 -11.133 -10.710 16.043 1.00 0.00 N ATOM 0 H ARG A 49 -13.957 -7.942 10.163 1.00 0.00 H new ATOM 0 HA ARG A 49 -16.124 -7.639 11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.258 -6.749 11.792 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.297 -5.985 12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -14.665 -7.990 14.152 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.236 -8.994 12.782 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.875 -8.326 12.982 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.270 -7.212 14.276 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.220 -9.626 15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.141 -8.502 13.920 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -9.186 -9.637 14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.986 -11.080 16.462 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.226 -11.091 16.312 1.00 0.00 H new ATOM 717 N ASN A 50 -15.221 -4.867 10.343 1.00 0.00 N ATOM 718 CA ASN A 50 -15.672 -3.529 9.977 1.00 0.00 C ATOM 719 C ASN A 50 -16.607 -3.581 8.772 1.00 0.00 C ATOM 720 O ASN A 50 -16.456 -2.814 7.822 1.00 0.00 O ATOM 721 CB ASN A 50 -14.473 -2.631 9.667 1.00 0.00 C ATOM 722 CG ASN A 50 -13.435 -2.650 10.772 1.00 0.00 C ATOM 723 OD1 ASN A 50 -13.513 -1.874 11.725 1.00 0.00 O ATOM 724 ND2 ASN A 50 -12.457 -3.539 10.649 1.00 0.00 N ATOM 0 H ASN A 50 -14.317 -5.130 9.950 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.220 -3.113 10.823 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.012 -2.955 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.818 -1.608 9.514 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.730 -3.599 11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.433 -4.162 9.842 1.00 0.00 H new ATOM 731 N SER A 51 -17.575 -4.492 8.820 1.00 0.00 N ATOM 732 CA SER A 51 -18.533 -4.647 7.732 1.00 0.00 C ATOM 733 C SER A 51 -19.640 -3.601 7.830 1.00 0.00 C ATOM 734 O SER A 51 -20.510 -3.682 8.696 1.00 0.00 O ATOM 735 CB SER A 51 -19.139 -6.051 7.754 1.00 0.00 C ATOM 736 OG SER A 51 -19.649 -6.367 9.038 1.00 0.00 O ATOM 0 H SER A 51 -17.716 -5.133 9.601 1.00 0.00 H new ATOM 0 HA SER A 51 -18.003 -4.503 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 51 -19.938 -6.117 7.016 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.382 -6.782 7.470 1.00 0.00 H new ATOM 0 HG SER A 51 -20.110 -5.585 9.408 1.00 0.00 H new ATOM 742 N GLY A 52 -19.599 -2.620 6.934 1.00 0.00 N ATOM 743 CA GLY A 52 -20.603 -1.572 6.936 1.00 0.00 C ATOM 744 C GLY A 52 -20.018 -0.209 7.250 1.00 0.00 C ATOM 745 O GLY A 52 -20.334 0.778 6.585 1.00 0.00 O ATOM 0 H GLY A 52 -18.889 -2.532 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -21.091 -1.539 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -21.372 -1.812 7.670 1.00 0.00 H new ATOM 749 N SER A 53 -19.164 -0.153 8.267 1.00 0.00 N ATOM 750 CA SER A 53 -18.538 1.100 8.671 1.00 0.00 C ATOM 751 C SER A 53 -17.877 1.787 7.479 1.00 0.00 C ATOM 752 O SER A 53 -16.896 1.289 6.928 1.00 0.00 O ATOM 753 CB SER A 53 -17.501 0.846 9.767 1.00 0.00 C ATOM 754 OG SER A 53 -18.038 0.038 10.800 1.00 0.00 O ATOM 0 H SER A 53 -18.890 -0.961 8.826 1.00 0.00 H new ATOM 0 HA SER A 53 -19.316 1.757 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.626 0.359 9.338 1.00 0.00 H new ATOM 0 HB3 SER A 53 -17.165 1.796 10.182 1.00 0.00 H new ATOM 0 HG SER A 53 -17.355 -0.111 11.487 1.00 0.00 H new ATOM 760 N ALA A 54 -18.423 2.933 7.088 1.00 0.00 N ATOM 761 CA ALA A 54 -17.886 3.690 5.964 1.00 0.00 C ATOM 762 C ALA A 54 -16.436 4.089 6.213 1.00 0.00 C ATOM 763 O ALA A 54 -15.551 3.777 5.416 1.00 0.00 O ATOM 764 CB ALA A 54 -18.738 4.924 5.703 1.00 0.00 C ATOM 0 H ALA A 54 -19.237 3.358 7.533 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.913 3.050 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.325 5.480 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -19.759 4.619 5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.741 5.558 6.590 1.00 0.00 H new ATOM 770 N GLU A 55 -16.199 4.782 7.323 1.00 0.00 N ATOM 771 CA GLU A 55 -14.855 5.225 7.674 1.00 0.00 C ATOM 772 C GLU A 55 -13.824 4.150 7.343 1.00 0.00 C ATOM 773 O GLU A 55 -12.856 4.403 6.627 1.00 0.00 O ATOM 774 CB GLU A 55 -14.783 5.575 9.162 1.00 0.00 C ATOM 775 CG GLU A 55 -15.445 6.898 9.508 1.00 0.00 C ATOM 776 CD GLU A 55 -15.500 7.150 11.003 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.881 6.222 11.746 1.00 0.00 O ATOM 778 OE2 GLU A 55 -15.162 8.274 11.428 1.00 0.00 O ATOM 0 H GLU A 55 -16.920 5.048 7.994 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.628 6.115 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -15.257 4.780 9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.738 5.610 9.468 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.900 7.710 9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.457 6.910 9.104 1.00 0.00 H new ATOM 785 N ALA A 56 -14.040 2.949 7.871 1.00 0.00 N ATOM 786 CA ALA A 56 -13.131 1.835 7.631 1.00 0.00 C ATOM 787 C ALA A 56 -13.029 1.520 6.143 1.00 0.00 C ATOM 788 O ALA A 56 -11.932 1.381 5.602 1.00 0.00 O ATOM 789 CB ALA A 56 -13.588 0.605 8.402 1.00 0.00 C ATOM 0 H ALA A 56 -14.836 2.723 8.467 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.141 2.125 7.983 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -12.900 -0.219 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -13.602 0.829 9.469 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.589 0.323 8.077 1.00 0.00 H new ATOM 795 N ALA A 57 -14.179 1.409 5.486 1.00 0.00 N ATOM 796 CA ALA A 57 -14.218 1.112 4.059 1.00 0.00 C ATOM 797 C ALA A 57 -13.199 1.951 3.296 1.00 0.00 C ATOM 798 O ALA A 57 -12.266 1.416 2.697 1.00 0.00 O ATOM 799 CB ALA A 57 -15.617 1.349 3.510 1.00 0.00 C ATOM 0 H ALA A 57 -15.096 1.520 5.919 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.959 0.062 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.632 1.124 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.325 0.702 4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.897 2.391 3.665 1.00 0.00 H new ATOM 805 N GLU A 58 -13.384 3.267 3.321 1.00 0.00 N ATOM 806 CA GLU A 58 -12.481 4.178 2.629 1.00 0.00 C ATOM 807 C GLU A 58 -11.031 3.909 3.021 1.00 0.00 C ATOM 808 O GLU A 58 -10.208 3.540 2.183 1.00 0.00 O ATOM 809 CB GLU A 58 -12.845 5.631 2.944 1.00 0.00 C ATOM 810 CG GLU A 58 -14.149 6.083 2.309 1.00 0.00 C ATOM 811 CD GLU A 58 -14.178 5.855 0.810 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.664 6.717 0.068 1.00 0.00 O ATOM 813 OE2 GLU A 58 -14.714 4.812 0.380 1.00 0.00 O ATOM 0 H GLU A 58 -14.151 3.726 3.813 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.587 4.009 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.916 5.753 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.040 6.281 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.978 5.547 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.301 7.143 2.515 1.00 0.00 H new ATOM 820 N ARG A 59 -10.726 4.097 4.301 1.00 0.00 N ATOM 821 CA ARG A 59 -9.376 3.877 4.805 1.00 0.00 C ATOM 822 C ARG A 59 -8.767 2.616 4.197 1.00 0.00 C ATOM 823 O ARG A 59 -7.637 2.633 3.709 1.00 0.00 O ATOM 824 CB ARG A 59 -9.390 3.764 6.331 1.00 0.00 C ATOM 825 CG ARG A 59 -8.018 3.920 6.966 1.00 0.00 C ATOM 826 CD ARG A 59 -8.064 3.656 8.463 1.00 0.00 C ATOM 827 NE ARG A 59 -6.732 3.434 9.020 1.00 0.00 N ATOM 828 CZ ARG A 59 -5.847 4.404 9.217 1.00 0.00 C ATOM 829 NH1 ARG A 59 -6.150 5.656 8.903 1.00 0.00 N ATOM 830 NH2 ARG A 59 -4.655 4.123 9.728 1.00 0.00 N ATOM 0 H ARG A 59 -11.396 4.401 5.008 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.764 4.731 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.057 4.524 6.737 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.803 2.795 6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.317 3.230 6.495 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.644 4.928 6.784 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.531 4.502 8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.689 2.784 8.659 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.467 2.482 9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.065 5.876 8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.468 6.399 9.055 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.418 3.161 9.970 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.976 4.869 9.879 1.00 0.00 H new ATOM 844 N PHE A 60 -9.524 1.525 4.231 1.00 0.00 N ATOM 845 CA PHE A 60 -9.060 0.255 3.684 1.00 0.00 C ATOM 846 C PHE A 60 -8.532 0.434 2.264 1.00 0.00 C ATOM 847 O PHE A 60 -7.434 -0.015 1.935 1.00 0.00 O ATOM 848 CB PHE A 60 -10.192 -0.774 3.693 1.00 0.00 C ATOM 849 CG PHE A 60 -9.778 -2.126 3.187 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.702 -2.792 3.751 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.465 -2.731 2.147 1.00 0.00 C ATOM 852 CE1 PHE A 60 -8.318 -4.036 3.288 1.00 0.00 C ATOM 853 CE2 PHE A 60 -10.087 -3.976 1.680 1.00 0.00 C ATOM 854 CZ PHE A 60 -9.011 -4.628 2.250 1.00 0.00 C ATOM 0 H PHE A 60 -10.462 1.494 4.631 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.246 -0.106 4.313 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -10.571 -0.876 4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -11.015 -0.403 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.157 -2.333 4.563 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -11.305 -2.224 1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.478 -4.545 3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.632 -4.438 0.870 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.712 -5.599 1.885 1.00 0.00 H new ATOM 864 N THR A 61 -9.323 1.095 1.424 1.00 0.00 N ATOM 865 CA THR A 61 -8.938 1.334 0.039 1.00 0.00 C ATOM 866 C THR A 61 -7.602 2.063 -0.043 1.00 0.00 C ATOM 867 O THR A 61 -6.721 1.679 -0.812 1.00 0.00 O ATOM 868 CB THR A 61 -10.005 2.156 -0.707 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.250 1.447 -0.720 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.566 2.444 -2.135 1.00 0.00 C ATOM 0 H THR A 61 -10.235 1.474 1.679 1.00 0.00 H new ATOM 0 HA THR A 61 -8.845 0.357 -0.436 1.00 0.00 H new ATOM 0 HB THR A 61 -10.132 3.104 -0.184 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.924 1.977 -1.195 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.336 3.026 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.634 3.009 -2.122 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.413 1.504 -2.665 1.00 0.00 H new ATOM 878 N ARG A 62 -7.458 3.116 0.755 1.00 0.00 N ATOM 879 CA ARG A 62 -6.229 3.899 0.772 1.00 0.00 C ATOM 880 C ARG A 62 -5.040 3.037 1.186 1.00 0.00 C ATOM 881 O ARG A 62 -4.002 3.035 0.524 1.00 0.00 O ATOM 882 CB ARG A 62 -6.368 5.086 1.728 1.00 0.00 C ATOM 883 CG ARG A 62 -7.176 6.238 1.153 1.00 0.00 C ATOM 884 CD ARG A 62 -7.114 7.464 2.051 1.00 0.00 C ATOM 885 NE ARG A 62 -7.808 7.250 3.319 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.244 8.237 4.093 1.00 0.00 C ATOM 887 NH1 ARG A 62 -8.059 9.500 3.731 1.00 0.00 N ATOM 888 NH2 ARG A 62 -8.866 7.963 5.233 1.00 0.00 N ATOM 0 H ARG A 62 -8.177 3.446 1.398 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.052 4.272 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.840 4.746 2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.374 5.447 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.797 6.491 0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.214 5.929 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.072 7.718 2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.558 8.315 1.534 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.966 6.290 3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.581 9.715 2.856 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.395 10.256 4.328 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.010 6.993 5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.200 8.722 5.827 1.00 0.00 H new ATOM 902 N ILE A 63 -5.200 2.306 2.285 1.00 0.00 N ATOM 903 CA ILE A 63 -4.140 1.440 2.786 1.00 0.00 C ATOM 904 C ILE A 63 -3.603 0.535 1.682 1.00 0.00 C ATOM 905 O ILE A 63 -2.392 0.433 1.484 1.00 0.00 O ATOM 906 CB ILE A 63 -4.632 0.568 3.956 1.00 0.00 C ATOM 907 CG1 ILE A 63 -5.071 1.448 5.127 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.541 -0.399 4.392 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.925 0.721 6.143 1.00 0.00 C ATOM 0 H ILE A 63 -6.053 2.297 2.845 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.341 2.091 3.140 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.491 -0.013 3.621 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.186 1.844 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.628 2.302 4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.904 -1.008 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.272 -1.045 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.664 0.163 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.199 1.406 6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.828 0.348 5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.364 -0.116 6.558 1.00 0.00 H new ATOM 921 N SER A 64 -4.511 -0.119 0.966 1.00 0.00 N ATOM 922 CA SER A 64 -4.128 -1.018 -0.117 1.00 0.00 C ATOM 923 C SER A 64 -3.182 -0.323 -1.091 1.00 0.00 C ATOM 924 O SER A 64 -2.095 -0.824 -1.379 1.00 0.00 O ATOM 925 CB SER A 64 -5.371 -1.512 -0.861 1.00 0.00 C ATOM 926 OG SER A 64 -5.874 -2.702 -0.278 1.00 0.00 O ATOM 0 H SER A 64 -5.517 -0.044 1.116 1.00 0.00 H new ATOM 0 HA SER A 64 -3.610 -1.872 0.319 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.141 -0.740 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.125 -1.692 -1.908 1.00 0.00 H new ATOM 0 HG SER A 64 -6.669 -2.997 -0.770 1.00 0.00 H new ATOM 932 N GLN A 65 -3.603 0.833 -1.593 1.00 0.00 N ATOM 933 CA GLN A 65 -2.794 1.596 -2.535 1.00 0.00 C ATOM 934 C GLN A 65 -1.325 1.586 -2.124 1.00 0.00 C ATOM 935 O GLN A 65 -0.451 1.239 -2.917 1.00 0.00 O ATOM 936 CB GLN A 65 -3.300 3.037 -2.625 1.00 0.00 C ATOM 937 CG GLN A 65 -4.771 3.143 -2.997 1.00 0.00 C ATOM 938 CD GLN A 65 -5.103 4.445 -3.698 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.276 5.003 -4.420 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.319 4.936 -3.489 1.00 0.00 N ATOM 0 H GLN A 65 -4.500 1.262 -1.363 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.882 1.125 -3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.140 3.530 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.707 3.576 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.039 2.308 -3.644 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.377 3.055 -2.095 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.972 4.440 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.600 5.809 -3.935 1.00 0.00 H new ATOM 949 N ALA A 66 -1.062 1.970 -0.879 1.00 0.00 N ATOM 950 CA ALA A 66 0.301 2.003 -0.362 1.00 0.00 C ATOM 951 C ALA A 66 1.069 0.747 -0.759 1.00 0.00 C ATOM 952 O ALA A 66 2.265 0.805 -1.050 1.00 0.00 O ATOM 953 CB ALA A 66 0.287 2.159 1.152 1.00 0.00 C ATOM 0 H ALA A 66 -1.774 2.262 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 66 0.809 2.862 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.311 2.182 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.217 3.088 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.243 1.318 1.600 1.00 0.00 H new ATOM 959 N TYR A 67 0.377 -0.386 -0.769 1.00 0.00 N ATOM 960 CA TYR A 67 0.996 -1.657 -1.127 1.00 0.00 C ATOM 961 C TYR A 67 0.909 -1.900 -2.631 1.00 0.00 C ATOM 962 O TYR A 67 0.860 -3.043 -3.085 1.00 0.00 O ATOM 963 CB TYR A 67 0.324 -2.806 -0.374 1.00 0.00 C ATOM 964 CG TYR A 67 1.207 -4.022 -0.211 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.467 -3.917 0.364 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.783 -5.276 -0.634 1.00 0.00 C ATOM 967 CE1 TYR A 67 3.279 -5.025 0.515 1.00 0.00 C ATOM 968 CE2 TYR A 67 1.586 -6.389 -0.487 1.00 0.00 C ATOM 969 CZ TYR A 67 2.834 -6.259 0.088 1.00 0.00 C ATOM 970 OH TYR A 67 3.638 -7.366 0.235 1.00 0.00 O ATOM 0 H TYR A 67 -0.613 -0.451 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 67 2.048 -1.612 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.019 -2.454 0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.584 -3.095 -0.904 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.818 -2.952 0.699 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.192 -5.382 -1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.256 -4.925 0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.240 -7.356 -0.820 1.00 0.00 H new ATOM 0 HH TYR A 67 3.175 -8.155 -0.116 1.00 0.00 H new ATOM 980 N VAL A 68 0.891 -0.815 -3.399 1.00 0.00 N ATOM 981 CA VAL A 68 0.812 -0.909 -4.852 1.00 0.00 C ATOM 982 C VAL A 68 1.959 -0.154 -5.514 1.00 0.00 C ATOM 983 O VAL A 68 2.704 -0.716 -6.318 1.00 0.00 O ATOM 984 CB VAL A 68 -0.525 -0.353 -5.378 1.00 0.00 C ATOM 985 CG1 VAL A 68 -0.574 -0.427 -6.897 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.694 -1.105 -4.762 1.00 0.00 C ATOM 0 H VAL A 68 0.930 0.139 -3.039 1.00 0.00 H new ATOM 0 HA VAL A 68 0.882 -1.967 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.602 0.694 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.526 -0.030 -7.250 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.242 0.161 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.474 -1.465 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.630 -0.699 -5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.624 -2.162 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.667 -0.995 -3.678 1.00 0.00 H new ATOM 996 N VAL A 69 2.097 1.122 -5.171 1.00 0.00 N ATOM 997 CA VAL A 69 3.155 1.955 -5.731 1.00 0.00 C ATOM 998 C VAL A 69 4.517 1.564 -5.168 1.00 0.00 C ATOM 999 O VAL A 69 5.516 1.541 -5.889 1.00 0.00 O ATOM 1000 CB VAL A 69 2.904 3.448 -5.448 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.052 4.292 -5.980 1.00 0.00 C ATOM 1002 CG2 VAL A 69 1.581 3.889 -6.055 1.00 0.00 C ATOM 0 H VAL A 69 1.489 1.602 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 69 3.149 1.792 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 69 2.849 3.592 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.857 5.344 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.980 3.991 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.142 4.146 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.419 4.946 -5.846 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.605 3.732 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.769 3.305 -5.621 1.00 0.00 H new ATOM 1012 N LEU A 70 4.551 1.257 -3.876 1.00 0.00 N ATOM 1013 CA LEU A 70 5.792 0.866 -3.215 1.00 0.00 C ATOM 1014 C LEU A 70 5.999 -0.643 -3.295 1.00 0.00 C ATOM 1015 O LEU A 70 7.130 -1.126 -3.277 1.00 0.00 O ATOM 1016 CB LEU A 70 5.776 1.314 -1.753 1.00 0.00 C ATOM 1017 CG LEU A 70 5.345 2.759 -1.498 1.00 0.00 C ATOM 1018 CD1 LEU A 70 4.966 2.953 -0.038 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.451 3.724 -1.897 1.00 0.00 C ATOM 0 H LEU A 70 3.734 1.271 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 70 6.619 1.355 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.109 0.654 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.776 1.176 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 70 4.468 2.970 -2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.662 3.987 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.140 2.288 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.824 2.723 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.126 4.747 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.346 3.514 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.674 3.604 -2.957 1.00 0.00 H new ATOM 1031 N GLY A 71 4.897 -1.382 -3.383 1.00 0.00 N ATOM 1032 CA GLY A 71 4.980 -2.829 -3.466 1.00 0.00 C ATOM 1033 C GLY A 71 6.115 -3.295 -4.356 1.00 0.00 C ATOM 1034 O GLY A 71 6.811 -4.257 -4.033 1.00 0.00 O ATOM 0 H GLY A 71 3.949 -1.005 -3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.115 -3.240 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.038 -3.222 -3.848 1.00 0.00 H new ATOM 1038 N SER A 72 6.303 -2.612 -5.481 1.00 0.00 N ATOM 1039 CA SER A 72 7.358 -2.964 -6.423 1.00 0.00 C ATOM 1040 C SER A 72 8.585 -2.080 -6.220 1.00 0.00 C ATOM 1041 O SER A 72 8.472 -0.860 -6.107 1.00 0.00 O ATOM 1042 CB SER A 72 6.852 -2.834 -7.860 1.00 0.00 C ATOM 1043 OG SER A 72 7.603 -3.652 -8.741 1.00 0.00 O ATOM 0 H SER A 72 5.737 -1.811 -5.762 1.00 0.00 H new ATOM 0 HA SER A 72 7.645 -4.000 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.800 -3.115 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.918 -1.794 -8.179 1.00 0.00 H new ATOM 0 HG SER A 72 7.259 -3.552 -9.653 1.00 0.00 H new ATOM 1049 N ALA A 73 9.757 -2.705 -6.176 1.00 0.00 N ATOM 1050 CA ALA A 73 11.005 -1.976 -5.990 1.00 0.00 C ATOM 1051 C ALA A 73 11.159 -0.876 -7.034 1.00 0.00 C ATOM 1052 O ALA A 73 11.547 0.249 -6.715 1.00 0.00 O ATOM 1053 CB ALA A 73 12.188 -2.931 -6.047 1.00 0.00 C ATOM 0 H ALA A 73 9.868 -3.715 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 73 10.979 -1.506 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.113 -2.373 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.091 -3.677 -5.259 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.208 -3.428 -7.017 1.00 0.00 H new ATOM 1059 N THR A 74 10.854 -1.207 -8.285 1.00 0.00 N ATOM 1060 CA THR A 74 10.961 -0.248 -9.378 1.00 0.00 C ATOM 1061 C THR A 74 9.926 0.862 -9.238 1.00 0.00 C ATOM 1062 O THR A 74 10.270 2.044 -9.188 1.00 0.00 O ATOM 1063 CB THR A 74 10.782 -0.932 -10.746 1.00 0.00 C ATOM 1064 OG1 THR A 74 11.857 -1.849 -10.979 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.735 0.098 -11.864 1.00 0.00 C ATOM 0 H THR A 74 10.531 -2.133 -8.567 1.00 0.00 H new ATOM 0 HA THR A 74 11.961 0.182 -9.324 1.00 0.00 H new ATOM 0 HB THR A 74 9.837 -1.476 -10.735 1.00 0.00 H new ATOM 0 HG1 THR A 74 11.735 -2.281 -11.850 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.608 -0.409 -12.821 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.898 0.776 -11.699 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.665 0.666 -11.875 1.00 0.00 H new ATOM 1073 N LEU A 75 8.656 0.476 -9.174 1.00 0.00 N ATOM 1074 CA LEU A 75 7.569 1.439 -9.039 1.00 0.00 C ATOM 1075 C LEU A 75 7.972 2.590 -8.122 1.00 0.00 C ATOM 1076 O LEU A 75 7.825 3.759 -8.477 1.00 0.00 O ATOM 1077 CB LEU A 75 6.317 0.751 -8.493 1.00 0.00 C ATOM 1078 CG LEU A 75 5.550 -0.129 -9.481 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.373 -0.804 -8.793 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.075 0.693 -10.670 1.00 0.00 C ATOM 0 H LEU A 75 8.354 -0.497 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 75 7.351 1.845 -10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.607 0.138 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.639 1.518 -8.118 1.00 0.00 H new ATOM 0 HG LEU A 75 6.224 -0.904 -9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.839 -1.426 -9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.737 -1.426 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.698 -0.045 -8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.531 0.050 -11.363 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.418 1.490 -10.322 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.935 1.128 -11.178 1.00 0.00 H new ATOM 1092 N ARG A 76 8.481 2.249 -6.943 1.00 0.00 N ATOM 1093 CA ARG A 76 8.906 3.253 -5.976 1.00 0.00 C ATOM 1094 C ARG A 76 9.918 4.212 -6.597 1.00 0.00 C ATOM 1095 O ARG A 76 9.833 5.426 -6.409 1.00 0.00 O ATOM 1096 CB ARG A 76 9.514 2.581 -4.744 1.00 0.00 C ATOM 1097 CG ARG A 76 9.993 3.563 -3.687 1.00 0.00 C ATOM 1098 CD ARG A 76 10.008 2.930 -2.305 1.00 0.00 C ATOM 1099 NE ARG A 76 11.285 2.284 -2.012 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.581 1.043 -2.380 1.00 0.00 C ATOM 1101 NH1 ARG A 76 10.697 0.317 -3.051 1.00 0.00 N ATOM 1102 NH2 ARG A 76 12.764 0.524 -2.077 1.00 0.00 N ATOM 0 H ARG A 76 8.609 1.285 -6.635 1.00 0.00 H new ATOM 0 HA ARG A 76 8.028 3.824 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.773 1.916 -4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.353 1.959 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.994 3.911 -3.940 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.343 4.438 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.808 3.694 -1.554 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.206 2.196 -2.234 1.00 0.00 H new ATOM 0 HE ARG A 76 11.987 2.815 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.786 0.712 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.928 -0.636 -3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.447 1.078 -1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.990 -0.429 -2.360 1.00 0.00 H new ATOM 1116 N ARG A 77 10.873 3.659 -7.336 1.00 0.00 N ATOM 1117 CA ARG A 77 11.902 4.465 -7.983 1.00 0.00 C ATOM 1118 C ARG A 77 11.275 5.530 -8.878 1.00 0.00 C ATOM 1119 O ARG A 77 11.619 6.709 -8.792 1.00 0.00 O ATOM 1120 CB ARG A 77 12.834 3.574 -8.807 1.00 0.00 C ATOM 1121 CG ARG A 77 13.427 2.419 -8.018 1.00 0.00 C ATOM 1122 CD ARG A 77 13.749 2.827 -6.589 1.00 0.00 C ATOM 1123 NE ARG A 77 14.831 2.027 -6.021 1.00 0.00 N ATOM 1124 CZ ARG A 77 15.608 2.442 -5.026 1.00 0.00 C ATOM 1125 NH1 ARG A 77 15.422 3.641 -4.491 1.00 0.00 N ATOM 1126 NH2 ARG A 77 16.572 1.657 -4.565 1.00 0.00 N ATOM 0 H ARG A 77 10.956 2.656 -7.502 1.00 0.00 H new ATOM 0 HA ARG A 77 12.481 4.964 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.283 3.176 -9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.644 4.183 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.726 1.585 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.334 2.068 -8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.027 3.881 -6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 77 12.857 2.720 -5.972 1.00 0.00 H new ATOM 0 HE ARG A 77 14.999 1.099 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.681 4.247 -4.843 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.020 3.957 -3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.718 0.734 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.168 1.976 -3.801 1.00 0.00 H new ATOM 1140 N LYS A 78 10.355 5.106 -9.737 1.00 0.00 N ATOM 1141 CA LYS A 78 9.679 6.022 -10.649 1.00 0.00 C ATOM 1142 C LYS A 78 9.285 7.310 -9.933 1.00 0.00 C ATOM 1143 O LYS A 78 9.756 8.393 -10.280 1.00 0.00 O ATOM 1144 CB LYS A 78 8.436 5.356 -11.244 1.00 0.00 C ATOM 1145 CG LYS A 78 8.726 4.036 -11.937 1.00 0.00 C ATOM 1146 CD LYS A 78 7.718 3.751 -13.037 1.00 0.00 C ATOM 1147 CE LYS A 78 8.333 2.926 -14.157 1.00 0.00 C ATOM 1148 NZ LYS A 78 7.298 2.207 -14.950 1.00 0.00 N ATOM 0 H LYS A 78 10.060 4.133 -9.821 1.00 0.00 H new ATOM 0 HA LYS A 78 10.371 6.271 -11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.709 5.188 -10.450 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.975 6.038 -11.958 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.730 4.059 -12.360 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.706 3.228 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.863 3.219 -12.619 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.343 4.691 -13.440 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.907 3.578 -14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.033 2.205 -13.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.758 1.657 -15.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.767 1.565 -14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.645 2.896 -15.375 1.00 0.00 H new ATOM 1162 N TYR A 79 8.422 7.184 -8.931 1.00 0.00 N ATOM 1163 CA TYR A 79 7.964 8.339 -8.167 1.00 0.00 C ATOM 1164 C TYR A 79 9.143 9.202 -7.726 1.00 0.00 C ATOM 1165 O TYR A 79 9.056 10.430 -7.712 1.00 0.00 O ATOM 1166 CB TYR A 79 7.166 7.884 -6.945 1.00 0.00 C ATOM 1167 CG TYR A 79 6.314 8.975 -6.337 1.00 0.00 C ATOM 1168 CD1 TYR A 79 5.242 9.517 -7.036 1.00 0.00 C ATOM 1169 CD2 TYR A 79 6.581 9.465 -5.065 1.00 0.00 C ATOM 1170 CE1 TYR A 79 4.462 10.515 -6.486 1.00 0.00 C ATOM 1171 CE2 TYR A 79 5.805 10.462 -4.506 1.00 0.00 C ATOM 1172 CZ TYR A 79 4.747 10.984 -5.220 1.00 0.00 C ATOM 1173 OH TYR A 79 3.972 11.978 -4.667 1.00 0.00 O ATOM 0 H TYR A 79 8.026 6.294 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 79 7.320 8.937 -8.811 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.524 7.050 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.857 7.510 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.015 9.151 -8.027 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.410 9.060 -4.503 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.634 10.926 -7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.026 10.831 -3.515 1.00 0.00 H new ATOM 0 HH TYR A 79 3.561 11.650 -3.840 1.00 0.00 H new ATOM 1183 N ASP A 80 10.243 8.550 -7.367 1.00 0.00 N ATOM 1184 CA ASP A 80 11.441 9.256 -6.927 1.00 0.00 C ATOM 1185 C ASP A 80 11.827 10.344 -7.924 1.00 0.00 C ATOM 1186 O ASP A 80 12.058 11.493 -7.545 1.00 0.00 O ATOM 1187 CB ASP A 80 12.601 8.274 -6.750 1.00 0.00 C ATOM 1188 CG ASP A 80 13.651 8.788 -5.784 1.00 0.00 C ATOM 1189 OD1 ASP A 80 13.353 9.742 -5.037 1.00 0.00 O ATOM 1190 OD2 ASP A 80 14.771 8.236 -5.777 1.00 0.00 O ATOM 0 H ASP A 80 10.330 7.534 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 80 11.224 9.727 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.215 7.321 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.064 8.084 -7.718 1.00 0.00 H new ATOM 1195 N ARG A 81 11.897 9.974 -9.199 1.00 0.00 N ATOM 1196 CA ARG A 81 12.258 10.919 -10.249 1.00 0.00 C ATOM 1197 C ARG A 81 11.012 11.553 -10.861 1.00 0.00 C ATOM 1198 O ARG A 81 11.098 12.298 -11.837 1.00 0.00 O ATOM 1199 CB ARG A 81 13.073 10.217 -11.337 1.00 0.00 C ATOM 1200 CG ARG A 81 13.984 9.123 -10.805 1.00 0.00 C ATOM 1201 CD ARG A 81 15.128 9.700 -9.986 1.00 0.00 C ATOM 1202 NE ARG A 81 15.931 10.645 -10.758 1.00 0.00 N ATOM 1203 CZ ARG A 81 17.104 11.117 -10.350 1.00 0.00 C ATOM 1204 NH1 ARG A 81 17.608 10.734 -9.186 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.775 11.974 -11.109 1.00 0.00 N ATOM 0 H ARG A 81 11.709 9.028 -9.529 1.00 0.00 H new ATOM 0 HA ARG A 81 12.864 11.707 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.390 9.786 -12.069 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.677 10.958 -11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 81 13.406 8.434 -10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 81 14.386 8.546 -11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.727 10.200 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.764 8.890 -9.630 1.00 0.00 H new ATOM 0 HE ARG A 81 15.572 10.960 -11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.095 10.075 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.509 11.098 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.390 12.271 -12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.676 12.336 -10.796 1.00 0.00 H new ATOM 1219 N GLY A 82 9.854 11.251 -10.281 1.00 0.00 N ATOM 1220 CA GLY A 82 8.608 11.799 -10.783 1.00 0.00 C ATOM 1221 C GLY A 82 8.187 11.173 -12.098 1.00 0.00 C ATOM 1222 O GLY A 82 7.596 11.838 -12.950 1.00 0.00 O ATOM 0 H GLY A 82 9.757 10.637 -9.473 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.823 11.645 -10.043 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.715 12.876 -10.915 1.00 0.00 H new ATOM 1226 N LEU A 83 8.492 9.891 -12.265 1.00 0.00 N ATOM 1227 CA LEU A 83 8.143 9.174 -13.486 1.00 0.00 C ATOM 1228 C LEU A 83 6.764 8.533 -13.366 1.00 0.00 C ATOM 1229 O LEU A 83 6.149 8.165 -14.368 1.00 0.00 O ATOM 1230 CB LEU A 83 9.192 8.103 -13.790 1.00 0.00 C ATOM 1231 CG LEU A 83 10.643 8.582 -13.849 1.00 0.00 C ATOM 1232 CD1 LEU A 83 11.590 7.470 -13.427 1.00 0.00 C ATOM 1233 CD2 LEU A 83 10.985 9.075 -15.248 1.00 0.00 C ATOM 0 H LEU A 83 8.980 9.327 -11.570 1.00 0.00 H new ATOM 0 HA LEU A 83 8.119 9.892 -14.305 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.118 7.325 -13.031 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.944 7.641 -14.745 1.00 0.00 H new ATOM 0 HG LEU A 83 10.760 9.413 -13.154 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.618 7.830 -13.475 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.360 7.164 -12.406 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.472 6.618 -14.096 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.021 9.412 -15.272 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.851 8.263 -15.963 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.328 9.903 -15.513 1.00 0.00 H new ATOM 1245 N LEU A 84 6.284 8.402 -12.135 1.00 0.00 N ATOM 1246 CA LEU A 84 4.976 7.807 -11.883 1.00 0.00 C ATOM 1247 C LEU A 84 3.857 8.777 -12.247 1.00 0.00 C ATOM 1248 O LEU A 84 3.745 9.858 -11.669 1.00 0.00 O ATOM 1249 CB LEU A 84 4.854 7.398 -10.414 1.00 0.00 C ATOM 1250 CG LEU A 84 3.654 6.519 -10.059 1.00 0.00 C ATOM 1251 CD1 LEU A 84 4.011 5.048 -10.198 1.00 0.00 C ATOM 1252 CD2 LEU A 84 3.171 6.821 -8.648 1.00 0.00 C ATOM 0 H LEU A 84 6.781 8.700 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 84 4.881 6.920 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.763 6.869 -10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.808 8.303 -9.808 1.00 0.00 H new ATOM 0 HG LEU A 84 2.845 6.743 -10.754 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.145 4.438 -9.941 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.309 4.841 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.835 4.809 -9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.317 6.186 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.975 6.625 -7.939 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.875 7.868 -8.581 1.00 0.00 H new ATOM 1264 N SER A 85 3.028 8.382 -13.209 1.00 0.00 N ATOM 1265 CA SER A 85 1.918 9.217 -13.652 1.00 0.00 C ATOM 1266 C SER A 85 0.597 8.459 -13.559 1.00 0.00 C ATOM 1267 O SER A 85 0.570 7.276 -13.219 1.00 0.00 O ATOM 1268 CB SER A 85 2.149 9.688 -15.089 1.00 0.00 C ATOM 1269 OG SER A 85 3.076 10.759 -15.132 1.00 0.00 O ATOM 0 H SER A 85 3.105 7.489 -13.696 1.00 0.00 H new ATOM 0 HA SER A 85 1.865 10.086 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.519 8.859 -15.692 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.203 10.004 -15.528 1.00 0.00 H new ATOM 0 HG SER A 85 3.208 11.041 -16.061 1.00 0.00 H new ATOM 1275 N ASP A 86 -0.496 9.148 -13.865 1.00 0.00 N ATOM 1276 CA ASP A 86 -1.821 8.541 -13.818 1.00 0.00 C ATOM 1277 C ASP A 86 -1.808 7.157 -14.458 1.00 0.00 C ATOM 1278 O ASP A 86 -2.211 6.173 -13.838 1.00 0.00 O ATOM 1279 CB ASP A 86 -2.840 9.435 -14.527 1.00 0.00 C ATOM 1280 CG ASP A 86 -2.342 9.928 -15.871 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -1.593 10.928 -15.895 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -2.699 9.314 -16.897 1.00 0.00 O ATOM 0 H ASP A 86 -0.491 10.128 -14.148 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.108 8.435 -12.772 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.769 8.882 -14.668 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.072 10.291 -13.893 1.00 0.00 H new ATOM 1287 N GLU A 87 -1.343 7.089 -15.701 1.00 0.00 N ATOM 1288 CA GLU A 87 -1.279 5.825 -16.425 1.00 0.00 C ATOM 1289 C GLU A 87 -0.882 4.684 -15.493 1.00 0.00 C ATOM 1290 O GLU A 87 -1.420 3.580 -15.582 1.00 0.00 O ATOM 1291 CB GLU A 87 -0.282 5.924 -17.581 1.00 0.00 C ATOM 1292 CG GLU A 87 -0.754 6.816 -18.717 1.00 0.00 C ATOM 1293 CD GLU A 87 0.354 7.143 -19.700 1.00 0.00 C ATOM 1294 OE1 GLU A 87 0.868 6.209 -20.348 1.00 0.00 O ATOM 1295 OE2 GLU A 87 0.705 8.336 -19.821 1.00 0.00 O ATOM 0 H GLU A 87 -1.005 7.894 -16.228 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.270 5.615 -16.827 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.666 6.305 -17.201 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.090 4.924 -17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.570 6.324 -19.246 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.154 7.742 -18.305 1.00 0.00 H new ATOM 1302 N ASP A 88 0.062 4.959 -14.600 1.00 0.00 N ATOM 1303 CA ASP A 88 0.532 3.956 -13.650 1.00 0.00 C ATOM 1304 C ASP A 88 -0.492 3.737 -12.541 1.00 0.00 C ATOM 1305 O ASP A 88 -0.823 2.600 -12.203 1.00 0.00 O ATOM 1306 CB ASP A 88 1.872 4.381 -13.048 1.00 0.00 C ATOM 1307 CG ASP A 88 2.985 4.413 -14.077 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.679 4.576 -15.277 1.00 0.00 O ATOM 1309 OD2 ASP A 88 4.162 4.274 -13.683 1.00 0.00 O ATOM 0 H ASP A 88 0.517 5.868 -14.514 1.00 0.00 H new ATOM 0 HA ASP A 88 0.666 3.017 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.768 5.369 -12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.142 3.693 -12.247 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.989 4.833 -11.977 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.974 4.761 -10.904 1.00 0.00 C ATOM 1316 C LEU A 89 -3.192 3.951 -11.336 1.00 0.00 C ATOM 1317 O LEU A 89 -3.616 3.029 -10.640 1.00 0.00 O ATOM 1318 CB LEU A 89 -2.406 6.168 -10.486 1.00 0.00 C ATOM 1319 CG LEU A 89 -1.329 7.033 -9.829 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.586 8.506 -10.105 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -1.275 6.770 -8.331 1.00 0.00 C ATOM 0 H LEU A 89 -0.726 5.781 -12.245 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.511 4.261 -10.053 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.775 6.690 -11.369 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.244 6.079 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.363 6.767 -10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.810 9.106 -9.630 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.573 8.682 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.559 8.787 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.503 7.394 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.241 7.008 -7.885 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.042 5.720 -8.154 1.00 0.00 H new ATOM 1333 N ARG A 90 -3.749 4.301 -12.491 1.00 0.00 N ATOM 1334 CA ARG A 90 -4.918 3.606 -13.017 1.00 0.00 C ATOM 1335 C ARG A 90 -4.538 2.225 -13.543 1.00 0.00 C ATOM 1336 O ARG A 90 -5.178 1.226 -13.215 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.567 4.427 -14.133 1.00 0.00 C ATOM 1338 CG ARG A 90 -4.633 4.721 -15.295 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.049 5.980 -16.039 1.00 0.00 C ATOM 1340 NE ARG A 90 -4.559 5.990 -17.415 1.00 0.00 N ATOM 1341 CZ ARG A 90 -5.142 5.326 -18.407 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -6.230 4.605 -18.177 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -4.637 5.385 -19.633 1.00 0.00 N ATOM 0 H ARG A 90 -3.410 5.061 -13.080 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.633 3.483 -12.203 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.440 3.891 -14.506 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.925 5.369 -13.718 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.614 4.836 -14.924 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.629 3.875 -15.983 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.136 6.057 -16.041 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.668 6.855 -15.512 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.724 6.536 -17.626 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.622 4.559 -17.236 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.676 4.096 -18.941 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.801 5.940 -19.814 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.085 4.875 -20.394 1.00 0.00 H new ATOM 1357 N GLY A 91 -3.491 2.176 -14.362 1.00 0.00 N ATOM 1358 CA GLY A 91 -3.044 0.913 -14.920 1.00 0.00 C ATOM 1359 C GLY A 91 -3.113 0.892 -16.434 1.00 0.00 C ATOM 1360 O GLY A 91 -3.974 1.523 -17.047 1.00 0.00 O ATOM 0 H GLY A 91 -2.945 2.988 -14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.019 0.722 -14.603 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.657 0.105 -14.520 1.00 0.00 H new ATOM 1364 N PRO A 92 -2.186 0.154 -17.062 1.00 0.00 N ATOM 1365 CA PRO A 92 -2.123 0.036 -18.522 1.00 0.00 C ATOM 1366 C PRO A 92 -3.288 -0.766 -19.090 1.00 0.00 C ATOM 1367 O PRO A 92 -4.089 -1.329 -18.345 1.00 0.00 O ATOM 1368 CB PRO A 92 -0.801 -0.697 -18.762 1.00 0.00 C ATOM 1369 CG PRO A 92 -0.559 -1.462 -17.507 1.00 0.00 C ATOM 1370 CD PRO A 92 -1.129 -0.625 -16.395 1.00 0.00 C ATOM 0 HA PRO A 92 -2.182 1.008 -19.012 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.867 -1.361 -19.624 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.010 0.004 -18.961 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.041 -2.439 -17.546 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.506 -1.638 -17.356 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.531 -1.243 -15.592 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.373 0.022 -15.951 1.00 0.00 H new ATOM 1378 N GLY A 93 -3.377 -0.814 -20.416 1.00 0.00 N ATOM 1379 CA GLY A 93 -4.448 -1.550 -21.061 1.00 0.00 C ATOM 1380 C GLY A 93 -5.789 -1.331 -20.390 1.00 0.00 C ATOM 1381 O GLY A 93 -6.453 -2.286 -19.987 1.00 0.00 O ATOM 0 H GLY A 93 -2.726 -0.356 -21.054 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.515 -1.247 -22.106 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.210 -2.614 -21.052 1.00 0.00 H new ATOM 1385 N SER A 94 -6.189 -0.069 -20.268 1.00 0.00 N ATOM 1386 CA SER A 94 -7.457 0.274 -19.635 1.00 0.00 C ATOM 1387 C SER A 94 -8.606 -0.511 -20.262 1.00 0.00 C ATOM 1388 O SER A 94 -9.157 -0.114 -21.288 1.00 0.00 O ATOM 1389 CB SER A 94 -7.723 1.775 -19.759 1.00 0.00 C ATOM 1390 OG SER A 94 -8.703 2.198 -18.826 1.00 0.00 O ATOM 0 H SER A 94 -5.653 0.733 -20.599 1.00 0.00 H new ATOM 0 HA SER A 94 -7.392 0.010 -18.580 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.797 2.326 -19.594 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.056 2.006 -20.771 1.00 0.00 H new ATOM 0 HG SER A 94 -8.854 3.161 -18.924 1.00 0.00 H new ATOM 1396 N GLY A 95 -8.963 -1.628 -19.635 1.00 0.00 N ATOM 1397 CA GLY A 95 -10.043 -2.452 -20.144 1.00 0.00 C ATOM 1398 C GLY A 95 -9.541 -3.696 -20.850 1.00 0.00 C ATOM 1399 O GLY A 95 -8.338 -3.896 -21.020 1.00 0.00 O ATOM 0 H GLY A 95 -8.523 -1.977 -18.783 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.693 -2.744 -19.319 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.649 -1.865 -20.835 1.00 0.00 H new ATOM 1403 N PRO A 96 -10.477 -4.559 -21.273 1.00 0.00 N ATOM 1404 CA PRO A 96 -10.146 -5.805 -21.970 1.00 0.00 C ATOM 1405 C PRO A 96 -9.600 -5.558 -23.372 1.00 0.00 C ATOM 1406 O PRO A 96 -10.199 -4.829 -24.162 1.00 0.00 O ATOM 1407 CB PRO A 96 -11.487 -6.539 -22.040 1.00 0.00 C ATOM 1408 CG PRO A 96 -12.513 -5.460 -21.977 1.00 0.00 C ATOM 1409 CD PRO A 96 -11.929 -4.384 -21.104 1.00 0.00 C ATOM 0 HA PRO A 96 -9.365 -6.364 -21.456 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.575 -7.116 -22.961 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.598 -7.240 -21.213 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -12.737 -5.076 -22.972 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.448 -5.835 -21.562 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.253 -3.392 -21.418 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.230 -4.504 -20.063 1.00 0.00 H new ATOM 1417 N SER A 97 -8.459 -6.170 -23.674 1.00 0.00 N ATOM 1418 CA SER A 97 -7.831 -6.014 -24.981 1.00 0.00 C ATOM 1419 C SER A 97 -8.635 -6.732 -26.060 1.00 0.00 C ATOM 1420 O SER A 97 -8.835 -7.945 -25.997 1.00 0.00 O ATOM 1421 CB SER A 97 -6.400 -6.555 -24.950 1.00 0.00 C ATOM 1422 OG SER A 97 -6.391 -7.972 -24.972 1.00 0.00 O ATOM 0 H SER A 97 -7.951 -6.778 -23.032 1.00 0.00 H new ATOM 0 HA SER A 97 -7.805 -4.951 -25.220 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.844 -6.171 -25.805 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.892 -6.199 -24.054 1.00 0.00 H new ATOM 0 HG SER A 97 -7.269 -8.300 -25.257 1.00 0.00 H new ATOM 1428 N SER A 98 -9.095 -5.973 -27.050 1.00 0.00 N ATOM 1429 CA SER A 98 -9.881 -6.534 -28.142 1.00 0.00 C ATOM 1430 C SER A 98 -8.990 -7.302 -29.114 1.00 0.00 C ATOM 1431 O SER A 98 -7.765 -7.261 -29.015 1.00 0.00 O ATOM 1432 CB SER A 98 -10.627 -5.424 -28.885 1.00 0.00 C ATOM 1433 OG SER A 98 -11.735 -5.944 -29.599 1.00 0.00 O ATOM 0 H SER A 98 -8.937 -4.968 -27.118 1.00 0.00 H new ATOM 0 HA SER A 98 -10.606 -7.227 -27.716 1.00 0.00 H new ATOM 0 HB2 SER A 98 -10.969 -4.672 -28.174 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.948 -4.924 -29.575 1.00 0.00 H new ATOM 0 HG SER A 98 -12.196 -5.215 -30.064 1.00 0.00 H new ATOM 1439 N GLY A 99 -9.617 -8.003 -30.054 1.00 0.00 N ATOM 1440 CA GLY A 99 -8.867 -8.771 -31.030 1.00 0.00 C ATOM 1441 C GLY A 99 -9.518 -8.761 -32.399 1.00 0.00 C ATOM 1442 O GLY A 99 -10.616 -9.289 -32.576 1.00 0.00 O ATOM 0 H GLY A 99 -10.631 -8.053 -30.157 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.858 -8.367 -31.108 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.773 -9.800 -30.683 1.00 0.00 H new TER 1446 GLY A 99