USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 Single : A 39 LYS NZ :NH3+ 166:sc= -0.0403 (180deg=-0.24) USER MOD Single : A 43 SER OG : rot -89:sc= 0.091 USER MOD Single : A 44 SER OG : rot -52:sc= 0.235 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.223 USER MOD Single : A 47 TYR OH : rot 15:sc= -0.213 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.111) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= -0.0176 (180deg=-0.219) USER MOD Single : A 64 SER OG : rot -130:sc= 0.0326 USER MOD Single : A 65 SER OG : rot 180:sc= -0.487 USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= 1.28 (180deg=-0.162) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0847 X(o=0.085,f=0) USER MOD Single : A 77 TYR OH : rot 9:sc= 1.3 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.5) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.728 K(o=0.73,f=-3.8!) USER MOD Single : A 92 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.22) USER MOD Single : A 95 LYS NZ :NH3+ 129:sc=-0.000182 (180deg=-0.148) USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= -0.0555 (180deg=-0.344) USER MOD Single : A 105 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.023) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -167:sc= 0.26 (180deg=0.191) USER MOD Single : A 117 LYS NZ :NH3+ 149:sc= 1.17 (180deg=-0.296) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= -0.104 USER MOD Single : A 124 LYS NZ :NH3+ 174:sc= 1.36 (180deg=1.16) USER MOD Single : A 125 LYS NZ :NH3+ -168:sc=-0.00137 (180deg=-0.094) USER MOD Single : A 127 LYS NZ :NH3+ 174:sc= 0.166 (180deg=0.0437) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 39 23.369 -5.161 8.778 1.00 0.00 N ATOM 2 CA LYS A 39 23.828 -5.867 9.996 1.00 0.00 C ATOM 3 C LYS A 39 22.890 -5.598 11.165 1.00 0.00 C ATOM 4 O LYS A 39 22.441 -6.523 11.840 1.00 0.00 O ATOM 5 CB LYS A 39 25.243 -5.396 10.337 1.00 0.00 C ATOM 6 CG LYS A 39 25.869 -6.138 11.507 1.00 0.00 C ATOM 7 CD LYS A 39 27.263 -5.614 11.811 1.00 0.00 C ATOM 8 CE LYS A 39 27.921 -6.390 12.940 1.00 0.00 C ATOM 9 NZ LYS A 39 28.097 -7.829 12.606 1.00 0.00 N ATOM 0 HA LYS A 39 23.829 -6.941 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 39 25.878 -5.518 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 39 25.216 -4.331 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 39 25.237 -6.030 12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 39 25.920 -7.203 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 39 27.880 -5.681 10.915 1.00 0.00 H new ATOM 0 HD3 LYS A 39 27.205 -4.559 12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 39 28.893 -5.949 13.163 1.00 0.00 H new ATOM 0 HE3 LYS A 39 27.315 -6.300 13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 28.750 -8.266 13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 27.177 -8.311 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 28.487 -7.917 11.646 1.00 0.00 H new ATOM 25 N GLU A 40 22.588 -4.326 11.395 1.00 0.00 N ATOM 26 CA GLU A 40 21.694 -3.938 12.474 1.00 0.00 C ATOM 27 C GLU A 40 20.258 -4.300 12.124 1.00 0.00 C ATOM 28 O GLU A 40 19.607 -5.050 12.849 1.00 0.00 O ATOM 29 CB GLU A 40 21.827 -2.441 12.748 1.00 0.00 C ATOM 30 CG GLU A 40 23.238 -2.046 13.150 1.00 0.00 C ATOM 31 CD GLU A 40 23.428 -0.550 13.296 1.00 0.00 C ATOM 32 OE1 GLU A 40 22.468 0.211 13.058 1.00 0.00 O ATOM 33 OE2 GLU A 40 24.549 -0.131 13.645 1.00 0.00 O ATOM 0 H GLU A 40 22.951 -3.546 10.847 1.00 0.00 H new ATOM 0 HA GLU A 40 21.970 -4.480 13.378 1.00 0.00 H new ATOM 0 HB2 GLU A 40 21.538 -1.885 11.856 1.00 0.00 H new ATOM 0 HB3 GLU A 40 21.134 -2.157 13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 40 23.487 -2.530 14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 40 23.939 -2.422 12.405 1.00 0.00 H new ATOM 40 N GLU A 41 19.832 -3.886 10.939 1.00 0.00 N ATOM 41 CA GLU A 41 18.530 -4.268 10.414 1.00 0.00 C ATOM 42 C GLU A 41 18.385 -3.800 8.976 1.00 0.00 C ATOM 43 O GLU A 41 18.637 -2.633 8.664 1.00 0.00 O ATOM 44 CB GLU A 41 17.396 -3.687 11.259 1.00 0.00 C ATOM 45 CG GLU A 41 16.018 -4.143 10.806 1.00 0.00 C ATOM 46 CD GLU A 41 14.905 -3.588 11.667 1.00 0.00 C ATOM 47 OE1 GLU A 41 15.196 -2.830 12.617 1.00 0.00 O ATOM 48 OE2 GLU A 41 13.729 -3.907 11.406 1.00 0.00 O ATOM 0 H GLU A 41 20.373 -3.282 10.320 1.00 0.00 H new ATOM 0 HA GLU A 41 18.464 -5.355 10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 41 17.543 -3.975 12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.443 -2.599 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.860 -3.835 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.977 -5.232 10.824 1.00 0.00 H new ATOM 55 N ALA A 42 17.984 -4.718 8.112 1.00 0.00 N ATOM 56 CA ALA A 42 17.789 -4.421 6.707 1.00 0.00 C ATOM 57 C ALA A 42 16.336 -4.012 6.432 1.00 0.00 C ATOM 58 O ALA A 42 15.768 -3.197 7.161 1.00 0.00 O ATOM 59 CB ALA A 42 18.200 -5.621 5.866 1.00 0.00 C ATOM 0 H ALA A 42 17.786 -5.686 8.366 1.00 0.00 H new ATOM 0 HA ALA A 42 18.420 -3.576 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 42 18.052 -5.393 4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.251 -5.847 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 42 17.592 -6.483 6.140 1.00 0.00 H new ATOM 65 N SER A 43 15.737 -4.573 5.390 1.00 0.00 N ATOM 66 CA SER A 43 14.370 -4.232 5.005 1.00 0.00 C ATOM 67 C SER A 43 13.336 -4.967 5.860 1.00 0.00 C ATOM 68 O SER A 43 12.280 -5.370 5.369 1.00 0.00 O ATOM 69 CB SER A 43 14.163 -4.557 3.525 1.00 0.00 C ATOM 70 OG SER A 43 15.179 -3.963 2.737 1.00 0.00 O ATOM 0 H SER A 43 16.178 -5.271 4.791 1.00 0.00 H new ATOM 0 HA SER A 43 14.226 -3.165 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 43 14.168 -5.637 3.380 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.187 -4.197 3.201 1.00 0.00 H new ATOM 0 HG SER A 43 14.901 -3.062 2.469 1.00 0.00 H new ATOM 76 N SER A 44 13.589 -5.049 7.158 1.00 0.00 N ATOM 77 CA SER A 44 12.647 -5.666 8.080 1.00 0.00 C ATOM 78 C SER A 44 11.586 -4.648 8.508 1.00 0.00 C ATOM 79 O SER A 44 11.189 -4.585 9.671 1.00 0.00 O ATOM 80 CB SER A 44 13.394 -6.232 9.293 1.00 0.00 C ATOM 81 OG SER A 44 12.550 -7.041 10.099 1.00 0.00 O ATOM 0 H SER A 44 14.439 -4.696 7.597 1.00 0.00 H new ATOM 0 HA SER A 44 12.141 -6.491 7.579 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.246 -6.821 8.953 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.791 -5.412 9.891 1.00 0.00 H new ATOM 0 HG SER A 44 11.732 -6.547 10.314 1.00 0.00 H new ATOM 87 N LYS A 45 11.110 -3.874 7.543 1.00 0.00 N ATOM 88 CA LYS A 45 10.066 -2.892 7.785 1.00 0.00 C ATOM 89 C LYS A 45 8.706 -3.526 7.542 1.00 0.00 C ATOM 90 O LYS A 45 8.485 -4.145 6.500 1.00 0.00 O ATOM 91 CB LYS A 45 10.241 -1.685 6.855 1.00 0.00 C ATOM 92 CG LYS A 45 11.649 -1.106 6.834 1.00 0.00 C ATOM 93 CD LYS A 45 12.025 -0.471 8.165 1.00 0.00 C ATOM 94 CE LYS A 45 13.414 0.151 8.105 1.00 0.00 C ATOM 95 NZ LYS A 45 13.767 0.884 9.353 1.00 0.00 N ATOM 0 H LYS A 45 11.435 -3.909 6.577 1.00 0.00 H new ATOM 0 HA LYS A 45 10.135 -2.553 8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.967 -1.980 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.544 -0.904 7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.362 -1.895 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.722 -0.360 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.293 0.293 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.995 -1.225 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.151 -0.632 7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.465 0.836 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.721 1.288 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.081 1.649 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.746 0.227 10.159 1.00 0.00 H new ATOM 109 N SER A 46 7.783 -3.345 8.471 1.00 0.00 N ATOM 110 CA SER A 46 6.438 -3.857 8.286 1.00 0.00 C ATOM 111 C SER A 46 5.703 -3.010 7.253 1.00 0.00 C ATOM 112 O SER A 46 5.683 -1.780 7.344 1.00 0.00 O ATOM 113 CB SER A 46 5.670 -3.874 9.608 1.00 0.00 C ATOM 114 OG SER A 46 4.330 -4.301 9.415 1.00 0.00 O ATOM 0 H SER A 46 7.938 -2.853 9.351 1.00 0.00 H new ATOM 0 HA SER A 46 6.504 -4.884 7.926 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.169 -4.539 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.677 -2.877 10.049 1.00 0.00 H new ATOM 0 HG SER A 46 3.861 -4.305 10.275 1.00 0.00 H new ATOM 120 N TYR A 47 5.118 -3.663 6.261 1.00 0.00 N ATOM 121 CA TYR A 47 4.410 -2.962 5.200 1.00 0.00 C ATOM 122 C TYR A 47 3.115 -2.359 5.721 1.00 0.00 C ATOM 123 O TYR A 47 2.604 -1.394 5.155 1.00 0.00 O ATOM 124 CB TYR A 47 4.138 -3.892 4.015 1.00 0.00 C ATOM 125 CG TYR A 47 5.366 -4.172 3.175 1.00 0.00 C ATOM 126 CD1 TYR A 47 6.548 -4.597 3.764 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.338 -4.028 1.792 1.00 0.00 C ATOM 128 CE1 TYR A 47 7.665 -4.870 3.000 1.00 0.00 C ATOM 129 CE2 TYR A 47 6.452 -4.296 1.023 1.00 0.00 C ATOM 130 CZ TYR A 47 7.630 -4.653 1.636 1.00 0.00 C ATOM 131 OH TYR A 47 8.719 -4.995 0.865 1.00 0.00 O ATOM 0 H TYR A 47 5.119 -4.679 6.168 1.00 0.00 H new ATOM 0 HA TYR A 47 5.047 -2.149 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.739 -4.836 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.369 -3.448 3.383 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.595 -4.716 4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.428 -3.701 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.562 -5.251 3.466 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.399 -4.226 -0.053 1.00 0.00 H new ATOM 0 HH TYR A 47 9.313 -5.581 1.379 1.00 0.00 H new ATOM 141 N ARG A 48 2.653 -2.862 6.860 1.00 0.00 N ATOM 142 CA ARG A 48 1.484 -2.298 7.521 1.00 0.00 C ATOM 143 C ARG A 48 1.718 -0.832 7.849 1.00 0.00 C ATOM 144 O ARG A 48 0.882 0.020 7.560 1.00 0.00 O ATOM 145 CB ARG A 48 1.162 -3.070 8.800 1.00 0.00 C ATOM 146 CG ARG A 48 0.271 -4.276 8.574 1.00 0.00 C ATOM 147 CD ARG A 48 0.000 -5.015 9.873 1.00 0.00 C ATOM 148 NE ARG A 48 -1.231 -5.794 9.804 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.665 -6.603 10.766 1.00 0.00 C ATOM 150 NH1 ARG A 48 -0.938 -6.804 11.857 1.00 0.00 N ATOM 151 NH2 ARG A 48 -2.831 -7.218 10.628 1.00 0.00 N ATOM 0 H ARG A 48 3.070 -3.658 7.344 1.00 0.00 H new ATOM 0 HA ARG A 48 0.636 -2.380 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.094 -3.399 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.677 -2.398 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.672 -3.956 8.132 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.744 -4.951 7.861 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.837 -5.676 10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.068 -4.299 10.692 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.798 -5.713 8.960 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.038 -6.336 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.279 -7.426 12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.390 -7.069 9.788 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.170 -7.840 11.362 1.00 0.00 H new ATOM 165 N GLU A 49 2.889 -0.538 8.394 1.00 0.00 N ATOM 166 CA GLU A 49 3.245 0.829 8.727 1.00 0.00 C ATOM 167 C GLU A 49 3.426 1.649 7.459 1.00 0.00 C ATOM 168 O GLU A 49 2.904 2.753 7.341 1.00 0.00 O ATOM 169 CB GLU A 49 4.551 0.871 9.522 1.00 0.00 C ATOM 170 CG GLU A 49 4.855 -0.399 10.291 1.00 0.00 C ATOM 171 CD GLU A 49 6.191 -0.339 10.997 1.00 0.00 C ATOM 172 OE1 GLU A 49 6.871 0.707 10.910 1.00 0.00 O ATOM 173 OE2 GLU A 49 6.568 -1.332 11.653 1.00 0.00 O ATOM 0 H GLU A 49 3.607 -1.228 8.614 1.00 0.00 H new ATOM 0 HA GLU A 49 2.438 1.245 9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.374 1.072 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.509 1.705 10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.067 -0.574 11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.847 -1.246 9.606 1.00 0.00 H new ATOM 180 N LEU A 50 4.229 1.107 6.552 1.00 0.00 N ATOM 181 CA LEU A 50 4.599 1.790 5.316 1.00 0.00 C ATOM 182 C LEU A 50 3.386 2.192 4.493 1.00 0.00 C ATOM 183 O LEU A 50 3.242 3.354 4.108 1.00 0.00 O ATOM 184 CB LEU A 50 5.484 0.870 4.482 1.00 0.00 C ATOM 185 CG LEU A 50 6.987 0.917 4.777 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.275 0.974 6.263 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.650 -0.306 4.195 1.00 0.00 C ATOM 0 H LEU A 50 4.643 0.180 6.652 1.00 0.00 H new ATOM 0 HA LEU A 50 5.131 2.701 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.140 -0.155 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.335 1.114 3.430 1.00 0.00 H new ATOM 0 HG LEU A 50 7.383 1.825 4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.353 1.006 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.818 1.868 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.862 0.089 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.719 -0.274 4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.219 -1.201 4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.491 -0.328 3.117 1.00 0.00 H new ATOM 199 N ILE A 51 2.551 1.216 4.172 1.00 0.00 N ATOM 200 CA ILE A 51 1.396 1.453 3.327 1.00 0.00 C ATOM 201 C ILE A 51 0.410 2.381 4.002 1.00 0.00 C ATOM 202 O ILE A 51 0.040 3.390 3.431 1.00 0.00 O ATOM 203 CB ILE A 51 0.682 0.143 2.955 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.641 -0.784 2.208 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.554 0.427 2.114 1.00 0.00 C ATOM 206 CD1 ILE A 51 1.025 -2.110 1.841 1.00 0.00 C ATOM 0 H ILE A 51 2.654 0.251 4.486 1.00 0.00 H new ATOM 0 HA ILE A 51 1.767 1.919 2.414 1.00 0.00 H new ATOM 0 HB ILE A 51 0.362 -0.353 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.983 -0.287 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.521 -0.959 2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.046 -0.512 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.242 1.056 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.261 0.941 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.759 -2.719 1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.708 -2.627 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.161 -1.944 1.197 1.00 0.00 H new ATOM 218 N ILE A 52 -0.011 2.035 5.210 1.00 0.00 N ATOM 219 CA ILE A 52 -1.014 2.819 5.920 1.00 0.00 C ATOM 220 C ILE A 52 -0.574 4.269 6.128 1.00 0.00 C ATOM 221 O ILE A 52 -1.372 5.193 5.936 1.00 0.00 O ATOM 222 CB ILE A 52 -1.369 2.186 7.278 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.117 0.866 7.055 1.00 0.00 C ATOM 224 CG2 ILE A 52 -2.204 3.154 8.098 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.328 0.052 8.312 1.00 0.00 C ATOM 0 H ILE A 52 0.325 1.218 5.719 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.902 2.820 5.288 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.454 1.973 7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.088 1.083 6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.562 0.264 6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.451 2.699 9.057 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.638 4.070 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.123 3.388 7.560 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.864 -0.865 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.362 -0.199 8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.911 0.632 9.028 1.00 0.00 H new ATOM 237 N GLU A 53 0.698 4.464 6.476 1.00 0.00 N ATOM 238 CA GLU A 53 1.245 5.801 6.696 1.00 0.00 C ATOM 239 C GLU A 53 0.965 6.694 5.499 1.00 0.00 C ATOM 240 O GLU A 53 0.513 7.834 5.648 1.00 0.00 O ATOM 241 CB GLU A 53 2.750 5.718 6.949 1.00 0.00 C ATOM 242 CG GLU A 53 3.398 7.055 7.271 1.00 0.00 C ATOM 243 CD GLU A 53 4.853 6.916 7.672 1.00 0.00 C ATOM 244 OE1 GLU A 53 5.141 6.196 8.647 1.00 0.00 O ATOM 245 OE2 GLU A 53 5.719 7.519 7.001 1.00 0.00 O ATOM 0 H GLU A 53 1.370 3.709 6.612 1.00 0.00 H new ATOM 0 HA GLU A 53 0.762 6.234 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.932 5.030 7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.233 5.294 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.325 7.708 6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.847 7.537 8.079 1.00 0.00 H new ATOM 252 N GLY A 54 1.134 6.130 4.317 1.00 0.00 N ATOM 253 CA GLY A 54 0.797 6.842 3.113 1.00 0.00 C ATOM 254 C GLY A 54 -0.659 6.753 2.796 1.00 0.00 C ATOM 255 O GLY A 54 -1.284 7.754 2.500 1.00 0.00 O ATOM 0 H GLY A 54 1.500 5.189 4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.081 7.889 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.374 6.439 2.281 1.00 0.00 H new ATOM 259 N LEU A 55 -1.153 5.527 2.741 1.00 0.00 N ATOM 260 CA LEU A 55 -2.507 5.229 2.304 1.00 0.00 C ATOM 261 C LEU A 55 -3.537 6.122 2.986 1.00 0.00 C ATOM 262 O LEU A 55 -4.503 6.560 2.362 1.00 0.00 O ATOM 263 CB LEU A 55 -2.800 3.753 2.564 1.00 0.00 C ATOM 264 CG LEU A 55 -4.131 3.244 2.036 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.239 3.505 0.546 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.275 1.761 2.334 1.00 0.00 C ATOM 0 H LEU A 55 -0.617 4.699 3.002 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.581 5.433 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.002 3.159 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.765 3.578 3.639 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.939 3.778 2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.197 3.136 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.168 4.576 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.430 2.991 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.232 1.404 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.465 1.213 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.232 1.600 3.411 1.00 0.00 H new ATOM 278 N THR A 56 -3.309 6.415 4.255 1.00 0.00 N ATOM 279 CA THR A 56 -4.202 7.272 5.008 1.00 0.00 C ATOM 280 C THR A 56 -4.068 8.733 4.548 1.00 0.00 C ATOM 281 O THR A 56 -5.030 9.500 4.590 1.00 0.00 O ATOM 282 CB THR A 56 -3.935 7.148 6.532 1.00 0.00 C ATOM 283 OG1 THR A 56 -5.103 7.539 7.265 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.757 8.000 6.980 1.00 0.00 C ATOM 0 H THR A 56 -2.509 6.069 4.785 1.00 0.00 H new ATOM 0 HA THR A 56 -5.225 6.946 4.818 1.00 0.00 H new ATOM 0 HB THR A 56 -3.692 6.105 6.733 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.929 7.457 8.226 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.609 7.880 8.053 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.857 7.684 6.452 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.960 9.047 6.756 1.00 0.00 H new ATOM 292 N ALA A 57 -2.861 9.109 4.142 1.00 0.00 N ATOM 293 CA ALA A 57 -2.562 10.477 3.744 1.00 0.00 C ATOM 294 C ALA A 57 -2.833 10.740 2.259 1.00 0.00 C ATOM 295 O ALA A 57 -3.223 11.847 1.891 1.00 0.00 O ATOM 296 CB ALA A 57 -1.111 10.810 4.077 1.00 0.00 C ATOM 0 H ALA A 57 -2.064 8.475 4.080 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.233 11.126 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.895 11.835 3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.951 10.705 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.449 10.128 3.543 1.00 0.00 H new ATOM 302 N LEU A 58 -2.455 9.802 1.390 1.00 0.00 N ATOM 303 CA LEU A 58 -2.483 10.059 -0.037 1.00 0.00 C ATOM 304 C LEU A 58 -3.756 9.521 -0.686 1.00 0.00 C ATOM 305 O LEU A 58 -3.867 9.481 -1.912 1.00 0.00 O ATOM 306 CB LEU A 58 -1.240 9.460 -0.710 1.00 0.00 C ATOM 307 CG LEU A 58 -1.423 8.073 -1.318 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.488 7.880 -2.496 1.00 0.00 C ATOM 309 CD2 LEU A 58 -1.210 6.987 -0.305 1.00 0.00 C ATOM 0 H LEU A 58 -2.131 8.871 1.651 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.477 11.140 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.911 10.141 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.438 9.411 0.027 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.454 8.005 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.633 6.885 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.702 8.630 -3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.544 7.986 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.350 6.015 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.198 7.054 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.928 7.101 0.507 1.00 0.00 H new ATOM 321 N LYS A 59 -4.730 9.143 0.132 1.00 0.00 N ATOM 322 CA LYS A 59 -5.995 8.636 -0.380 1.00 0.00 C ATOM 323 C LYS A 59 -6.716 9.713 -1.186 1.00 0.00 C ATOM 324 O LYS A 59 -7.508 9.406 -2.080 1.00 0.00 O ATOM 325 CB LYS A 59 -6.878 8.163 0.775 1.00 0.00 C ATOM 326 CG LYS A 59 -7.486 9.296 1.581 1.00 0.00 C ATOM 327 CD LYS A 59 -7.989 8.808 2.926 1.00 0.00 C ATOM 328 CE LYS A 59 -8.490 9.953 3.792 1.00 0.00 C ATOM 329 NZ LYS A 59 -9.616 10.684 3.155 1.00 0.00 N ATOM 0 H LYS A 59 -4.668 9.178 1.150 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.790 7.791 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.680 7.541 0.377 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.286 7.533 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.742 10.078 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.309 9.741 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.794 8.089 2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.187 8.284 3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.812 9.563 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.671 10.646 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.015 11.366 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.270 11.191 2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.353 10.007 2.871 1.00 0.00 H new ATOM 343 N GLU A 60 -6.444 10.972 -0.839 1.00 0.00 N ATOM 344 CA GLU A 60 -7.056 12.118 -1.495 1.00 0.00 C ATOM 345 C GLU A 60 -8.576 12.070 -1.369 1.00 0.00 C ATOM 346 O GLU A 60 -9.122 12.239 -0.276 1.00 0.00 O ATOM 347 CB GLU A 60 -6.630 12.201 -2.966 1.00 0.00 C ATOM 348 CG GLU A 60 -5.179 12.609 -3.161 1.00 0.00 C ATOM 349 CD GLU A 60 -4.823 12.805 -4.619 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.587 13.480 -5.340 1.00 0.00 O ATOM 351 OE2 GLU A 60 -3.785 12.269 -5.062 1.00 0.00 O ATOM 0 H GLU A 60 -5.793 11.221 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.705 13.020 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.792 11.231 -3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.271 12.916 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.989 13.534 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.530 11.846 -2.731 1.00 0.00 H new ATOM 358 N ARG A 61 -9.244 11.857 -2.490 1.00 0.00 N ATOM 359 CA ARG A 61 -10.697 11.826 -2.540 1.00 0.00 C ATOM 360 C ARG A 61 -11.268 10.677 -1.711 1.00 0.00 C ATOM 361 O ARG A 61 -12.323 10.824 -1.087 1.00 0.00 O ATOM 362 CB ARG A 61 -11.152 11.705 -3.994 1.00 0.00 C ATOM 363 CG ARG A 61 -12.657 11.744 -4.176 1.00 0.00 C ATOM 364 CD ARG A 61 -13.034 11.621 -5.641 1.00 0.00 C ATOM 365 NE ARG A 61 -12.460 12.697 -6.447 1.00 0.00 N ATOM 366 CZ ARG A 61 -12.631 12.810 -7.763 1.00 0.00 C ATOM 367 NH1 ARG A 61 -13.377 11.927 -8.416 1.00 0.00 N ATOM 368 NH2 ARG A 61 -12.057 13.809 -8.422 1.00 0.00 N ATOM 0 H ARG A 61 -8.794 11.700 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.073 12.755 -2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.706 12.514 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.771 10.771 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.116 10.933 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.051 12.677 -3.773 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.692 10.659 -6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.120 11.635 -5.738 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.895 13.403 -5.974 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.820 11.160 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.507 12.015 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.486 14.489 -7.921 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.187 13.897 -9.430 1.00 0.00 H new ATOM 382 N LYS A 62 -10.575 9.535 -1.708 1.00 0.00 N ATOM 383 CA LYS A 62 -11.038 8.356 -0.978 1.00 0.00 C ATOM 384 C LYS A 62 -10.021 7.217 -1.036 1.00 0.00 C ATOM 385 O LYS A 62 -9.820 6.513 -0.046 1.00 0.00 O ATOM 386 CB LYS A 62 -12.411 7.887 -1.500 1.00 0.00 C ATOM 387 CG LYS A 62 -12.519 7.766 -3.020 1.00 0.00 C ATOM 388 CD LYS A 62 -12.152 6.375 -3.520 1.00 0.00 C ATOM 389 CE LYS A 62 -13.124 5.318 -3.015 1.00 0.00 C ATOM 390 NZ LYS A 62 -14.513 5.571 -3.481 1.00 0.00 N ATOM 0 H LYS A 62 -9.693 9.404 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.148 8.646 0.067 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.639 6.918 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.173 8.584 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.537 8.003 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.864 8.501 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.145 6.371 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.142 6.126 -3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.800 4.335 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.105 5.299 -1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.092 4.722 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.917 6.369 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.503 5.799 -4.496 1.00 0.00 H new ATOM 404 N GLY A 63 -9.384 7.038 -2.187 1.00 0.00 N ATOM 405 CA GLY A 63 -8.414 5.975 -2.339 1.00 0.00 C ATOM 406 C GLY A 63 -7.395 6.291 -3.408 1.00 0.00 C ATOM 407 O GLY A 63 -7.694 7.002 -4.368 1.00 0.00 O ATOM 0 H GLY A 63 -9.524 7.612 -3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.905 5.810 -1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.928 5.047 -2.591 1.00 0.00 H new ATOM 411 N SER A 64 -6.170 5.845 -3.189 1.00 0.00 N ATOM 412 CA SER A 64 -5.073 6.150 -4.088 1.00 0.00 C ATOM 413 C SER A 64 -4.858 5.036 -5.114 1.00 0.00 C ATOM 414 O SER A 64 -5.709 4.803 -5.974 1.00 0.00 O ATOM 415 CB SER A 64 -3.806 6.418 -3.278 1.00 0.00 C ATOM 416 OG SER A 64 -3.581 5.394 -2.322 1.00 0.00 O ATOM 0 H SER A 64 -5.910 5.266 -2.390 1.00 0.00 H new ATOM 0 HA SER A 64 -5.325 7.048 -4.652 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.950 6.487 -3.949 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.892 7.379 -2.771 1.00 0.00 H new ATOM 0 HG SER A 64 -3.416 5.797 -1.444 1.00 0.00 H new ATOM 422 N SER A 65 -3.692 4.405 -5.070 1.00 0.00 N ATOM 423 CA SER A 65 -3.332 3.393 -6.049 1.00 0.00 C ATOM 424 C SER A 65 -2.096 2.634 -5.570 1.00 0.00 C ATOM 425 O SER A 65 -1.293 3.171 -4.806 1.00 0.00 O ATOM 426 CB SER A 65 -3.062 4.063 -7.405 1.00 0.00 C ATOM 427 OG SER A 65 -3.028 3.123 -8.465 1.00 0.00 O ATOM 0 H SER A 65 -2.978 4.579 -4.363 1.00 0.00 H new ATOM 0 HA SER A 65 -4.153 2.685 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.836 4.805 -7.603 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.112 4.596 -7.363 1.00 0.00 H new ATOM 0 HG SER A 65 -2.856 3.589 -9.310 1.00 0.00 H new ATOM 433 N ARG A 66 -1.966 1.383 -6.003 1.00 0.00 N ATOM 434 CA ARG A 66 -0.834 0.534 -5.622 1.00 0.00 C ATOM 435 C ARG A 66 0.517 1.201 -5.937 1.00 0.00 C ATOM 436 O ARG A 66 1.350 1.352 -5.042 1.00 0.00 O ATOM 437 CB ARG A 66 -0.935 -0.825 -6.323 1.00 0.00 C ATOM 438 CG ARG A 66 -2.103 -1.676 -5.852 1.00 0.00 C ATOM 439 CD ARG A 66 -2.529 -2.664 -6.924 1.00 0.00 C ATOM 440 NE ARG A 66 -1.438 -3.550 -7.335 1.00 0.00 N ATOM 441 CZ ARG A 66 -1.380 -4.154 -8.524 1.00 0.00 C ATOM 442 NH1 ARG A 66 -2.330 -3.942 -9.429 1.00 0.00 N ATOM 443 NH2 ARG A 66 -0.375 -4.973 -8.805 1.00 0.00 N ATOM 0 H ARG A 66 -2.636 0.929 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.880 0.387 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.026 -0.663 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.008 -1.376 -6.161 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.822 -2.215 -4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.944 -1.033 -5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.359 -3.264 -6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.896 -2.117 -7.793 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.678 -3.715 -6.675 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.107 -3.316 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.282 -4.405 -10.336 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.354 -5.142 -8.112 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.332 -5.434 -9.714 1.00 0.00 H new ATOM 457 N PRO A 67 0.761 1.636 -7.198 1.00 0.00 N ATOM 458 CA PRO A 67 2.017 2.306 -7.563 1.00 0.00 C ATOM 459 C PRO A 67 2.244 3.582 -6.753 1.00 0.00 C ATOM 460 O PRO A 67 3.375 3.899 -6.379 1.00 0.00 O ATOM 461 CB PRO A 67 1.846 2.635 -9.052 1.00 0.00 C ATOM 462 CG PRO A 67 0.381 2.565 -9.303 1.00 0.00 C ATOM 463 CD PRO A 67 -0.150 1.532 -8.355 1.00 0.00 C ATOM 0 HA PRO A 67 2.884 1.677 -7.359 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.238 3.625 -9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.387 1.924 -9.677 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.091 3.532 -9.131 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.175 2.289 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.183 1.737 -8.074 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.131 0.535 -8.794 1.00 0.00 H new ATOM 471 N ALA A 68 1.154 4.275 -6.437 1.00 0.00 N ATOM 472 CA ALA A 68 1.213 5.487 -5.629 1.00 0.00 C ATOM 473 C ALA A 68 1.692 5.174 -4.213 1.00 0.00 C ATOM 474 O ALA A 68 2.554 5.864 -3.671 1.00 0.00 O ATOM 475 CB ALA A 68 -0.149 6.165 -5.596 1.00 0.00 C ATOM 0 H ALA A 68 0.213 4.015 -6.731 1.00 0.00 H new ATOM 0 HA ALA A 68 1.931 6.169 -6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.091 7.069 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.449 6.428 -6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.884 5.485 -5.165 1.00 0.00 H new ATOM 481 N LEU A 69 1.164 4.093 -3.647 1.00 0.00 N ATOM 482 CA LEU A 69 1.576 3.636 -2.326 1.00 0.00 C ATOM 483 C LEU A 69 3.056 3.286 -2.319 1.00 0.00 C ATOM 484 O LEU A 69 3.804 3.724 -1.448 1.00 0.00 O ATOM 485 CB LEU A 69 0.748 2.420 -1.904 1.00 0.00 C ATOM 486 CG LEU A 69 -0.668 2.734 -1.427 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.478 1.457 -1.275 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.614 3.492 -0.115 1.00 0.00 C ATOM 0 H LEU A 69 0.447 3.516 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 69 1.406 4.444 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.686 1.732 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.277 1.899 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.160 3.358 -2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.484 1.703 -0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.535 0.946 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.997 0.806 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.628 3.713 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.108 2.885 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.067 4.424 -0.256 1.00 0.00 H new ATOM 500 N LYS A 70 3.483 2.551 -3.340 1.00 0.00 N ATOM 501 CA LYS A 70 4.883 2.184 -3.487 1.00 0.00 C ATOM 502 C LYS A 70 5.770 3.419 -3.592 1.00 0.00 C ATOM 503 O LYS A 70 6.886 3.433 -3.078 1.00 0.00 O ATOM 504 CB LYS A 70 5.085 1.310 -4.724 1.00 0.00 C ATOM 505 CG LYS A 70 4.458 -0.069 -4.619 1.00 0.00 C ATOM 506 CD LYS A 70 4.994 -1.001 -5.692 1.00 0.00 C ATOM 507 CE LYS A 70 4.709 -0.470 -7.086 1.00 0.00 C ATOM 508 NZ LYS A 70 5.427 -1.240 -8.133 1.00 0.00 N ATOM 0 H LYS A 70 2.876 2.198 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 70 5.167 1.622 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.666 1.823 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.154 1.198 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.661 -0.489 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.375 0.013 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.069 -1.126 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.542 -1.986 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.637 -0.511 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.003 0.578 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.669 -0.609 -8.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.298 -1.642 -7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.817 -2.009 -8.478 1.00 0.00 H new ATOM 522 N LYS A 71 5.250 4.461 -4.225 1.00 0.00 N ATOM 523 CA LYS A 71 5.979 5.709 -4.380 1.00 0.00 C ATOM 524 C LYS A 71 6.232 6.328 -3.026 1.00 0.00 C ATOM 525 O LYS A 71 7.375 6.583 -2.650 1.00 0.00 O ATOM 526 CB LYS A 71 5.180 6.678 -5.251 1.00 0.00 C ATOM 527 CG LYS A 71 5.777 8.074 -5.342 1.00 0.00 C ATOM 528 CD LYS A 71 4.943 8.965 -6.247 1.00 0.00 C ATOM 529 CE LYS A 71 5.485 10.383 -6.295 1.00 0.00 C ATOM 530 NZ LYS A 71 4.678 11.258 -7.187 1.00 0.00 N ATOM 0 H LYS A 71 4.319 4.465 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 71 6.934 5.502 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.100 6.263 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.167 6.754 -4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.836 8.514 -4.346 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.796 8.013 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.927 8.548 -7.254 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.913 8.981 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.495 10.802 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.518 10.365 -6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.082 12.216 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.689 10.873 -8.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.698 11.297 -6.841 1.00 0.00 H new ATOM 544 N PHE A 72 5.156 6.491 -2.278 1.00 0.00 N ATOM 545 CA PHE A 72 5.213 7.033 -0.931 1.00 0.00 C ATOM 546 C PHE A 72 6.182 6.235 -0.061 1.00 0.00 C ATOM 547 O PHE A 72 6.951 6.806 0.719 1.00 0.00 O ATOM 548 CB PHE A 72 3.815 7.007 -0.308 1.00 0.00 C ATOM 549 CG PHE A 72 3.759 7.592 1.071 1.00 0.00 C ATOM 550 CD1 PHE A 72 4.068 6.820 2.174 1.00 0.00 C ATOM 551 CD2 PHE A 72 3.402 8.915 1.256 1.00 0.00 C ATOM 552 CE1 PHE A 72 4.020 7.356 3.446 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.349 9.461 2.526 1.00 0.00 C ATOM 554 CZ PHE A 72 3.652 8.673 3.626 1.00 0.00 C ATOM 0 H PHE A 72 4.214 6.251 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 72 5.571 8.061 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.129 7.555 -0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.463 5.976 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.350 5.786 2.040 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.162 9.528 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.271 6.744 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.073 10.496 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.600 9.089 4.621 1.00 0.00 H new ATOM 564 N ILE A 73 6.116 4.913 -0.180 1.00 0.00 N ATOM 565 CA ILE A 73 6.958 4.033 0.614 1.00 0.00 C ATOM 566 C ILE A 73 8.433 4.256 0.307 1.00 0.00 C ATOM 567 O ILE A 73 9.242 4.380 1.218 1.00 0.00 O ATOM 568 CB ILE A 73 6.601 2.545 0.396 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.189 2.255 0.919 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.619 1.645 1.081 1.00 0.00 C ATOM 571 CD1 ILE A 73 4.768 0.809 0.776 1.00 0.00 C ATOM 0 H ILE A 73 5.486 4.429 -0.820 1.00 0.00 H new ATOM 0 HA ILE A 73 6.772 4.281 1.659 1.00 0.00 H new ATOM 0 HB ILE A 73 6.625 2.336 -0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.137 2.536 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.478 2.885 0.385 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.351 0.601 0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.609 1.835 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.627 1.853 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.759 0.683 1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.786 0.527 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.455 0.173 1.334 1.00 0.00 H new ATOM 583 N LYS A 74 8.777 4.325 -0.971 1.00 0.00 N ATOM 584 CA LYS A 74 10.165 4.526 -1.370 1.00 0.00 C ATOM 585 C LYS A 74 10.674 5.902 -0.949 1.00 0.00 C ATOM 586 O LYS A 74 11.843 6.059 -0.594 1.00 0.00 O ATOM 587 CB LYS A 74 10.331 4.326 -2.878 1.00 0.00 C ATOM 588 CG LYS A 74 9.907 2.943 -3.339 1.00 0.00 C ATOM 589 CD LYS A 74 10.349 2.642 -4.758 1.00 0.00 C ATOM 590 CE LYS A 74 9.921 1.238 -5.163 1.00 0.00 C ATOM 591 NZ LYS A 74 10.514 0.808 -6.456 1.00 0.00 N ATOM 0 H LYS A 74 8.119 4.245 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 74 10.768 3.778 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.742 5.076 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.374 4.490 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.325 2.195 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.822 2.859 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.917 3.372 -5.442 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.432 2.735 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.212 0.535 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.834 1.201 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.190 -0.154 -6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.216 1.461 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.551 0.815 -6.382 1.00 0.00 H new ATOM 605 N GLU A 75 9.790 6.895 -0.971 1.00 0.00 N ATOM 606 CA GLU A 75 10.154 8.252 -0.578 1.00 0.00 C ATOM 607 C GLU A 75 10.501 8.321 0.912 1.00 0.00 C ATOM 608 O GLU A 75 11.410 9.052 1.312 1.00 0.00 O ATOM 609 CB GLU A 75 9.013 9.232 -0.879 1.00 0.00 C ATOM 610 CG GLU A 75 8.583 9.271 -2.340 1.00 0.00 C ATOM 611 CD GLU A 75 9.671 9.760 -3.275 1.00 0.00 C ATOM 612 OE1 GLU A 75 10.627 8.999 -3.528 1.00 0.00 O ATOM 613 OE2 GLU A 75 9.581 10.908 -3.756 1.00 0.00 O ATOM 0 H GLU A 75 8.817 6.785 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 75 11.032 8.534 -1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.151 8.966 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.322 10.233 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.273 8.272 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.712 9.919 -2.438 1.00 0.00 H new ATOM 620 N ASN A 76 9.708 7.641 1.734 1.00 0.00 N ATOM 621 CA ASN A 76 9.854 7.723 3.188 1.00 0.00 C ATOM 622 C ASN A 76 10.724 6.603 3.753 1.00 0.00 C ATOM 623 O ASN A 76 11.575 6.841 4.611 1.00 0.00 O ATOM 624 CB ASN A 76 8.476 7.694 3.850 1.00 0.00 C ATOM 625 CG ASN A 76 7.770 9.031 3.760 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.117 9.978 4.462 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.799 9.128 2.871 1.00 0.00 N ATOM 0 H ASN A 76 8.957 7.026 1.421 1.00 0.00 H new ATOM 0 HA ASN A 76 10.356 8.665 3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.863 6.928 3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.584 7.412 4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.307 10.013 2.748 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.541 8.318 2.307 1.00 0.00 H new ATOM 634 N TYR A 77 10.497 5.382 3.288 1.00 0.00 N ATOM 635 CA TYR A 77 11.252 4.224 3.757 1.00 0.00 C ATOM 636 C TYR A 77 11.999 3.560 2.598 1.00 0.00 C ATOM 637 O TYR A 77 11.623 2.473 2.156 1.00 0.00 O ATOM 638 CB TYR A 77 10.323 3.185 4.405 1.00 0.00 C ATOM 639 CG TYR A 77 9.563 3.664 5.625 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.469 4.514 5.504 1.00 0.00 C ATOM 641 CD2 TYR A 77 9.912 3.229 6.895 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.755 4.922 6.615 1.00 0.00 C ATOM 643 CE2 TYR A 77 9.202 3.627 8.010 1.00 0.00 C ATOM 644 CZ TYR A 77 8.125 4.475 7.866 1.00 0.00 C ATOM 645 OH TYR A 77 7.413 4.869 8.978 1.00 0.00 O ATOM 0 H TYR A 77 9.793 5.165 2.583 1.00 0.00 H new ATOM 0 HA TYR A 77 11.967 4.581 4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.603 2.850 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.918 2.316 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.172 4.861 4.525 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.756 2.566 7.014 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.912 5.587 6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.489 3.276 8.990 1.00 0.00 H new ATOM 0 HH TYR A 77 6.604 5.346 8.697 1.00 0.00 H new ATOM 655 N PRO A 78 13.061 4.199 2.074 1.00 0.00 N ATOM 656 CA PRO A 78 13.818 3.671 0.930 1.00 0.00 C ATOM 657 C PRO A 78 14.571 2.386 1.247 1.00 0.00 C ATOM 658 O PRO A 78 15.036 1.699 0.343 1.00 0.00 O ATOM 659 CB PRO A 78 14.792 4.787 0.587 1.00 0.00 C ATOM 660 CG PRO A 78 14.925 5.582 1.838 1.00 0.00 C ATOM 661 CD PRO A 78 13.589 5.500 2.519 1.00 0.00 C ATOM 0 HA PRO A 78 13.151 3.403 0.111 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.755 4.387 0.270 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.417 5.400 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.714 5.181 2.474 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.189 6.616 1.618 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.687 5.545 3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 78 12.936 6.321 2.224 1.00 0.00 H new ATOM 669 N ILE A 79 14.609 2.028 2.526 1.00 0.00 N ATOM 670 CA ILE A 79 15.193 0.764 2.957 1.00 0.00 C ATOM 671 C ILE A 79 14.501 -0.376 2.236 1.00 0.00 C ATOM 672 O ILE A 79 15.091 -1.091 1.428 1.00 0.00 O ATOM 673 CB ILE A 79 14.985 0.533 4.468 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.443 1.743 5.295 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.728 -0.718 4.916 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.390 2.820 5.449 1.00 0.00 C ATOM 0 H ILE A 79 14.240 2.600 3.286 1.00 0.00 H new ATOM 0 HA ILE A 79 16.259 0.801 2.733 1.00 0.00 H new ATOM 0 HB ILE A 79 13.917 0.398 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.744 1.400 6.285 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.326 2.177 4.826 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.573 -0.870 5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 79 15.350 -1.581 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.793 -0.600 4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.792 3.639 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.105 3.193 4.465 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.514 2.404 5.947 1.00 0.00 H new ATOM 688 N VAL A 80 13.201 -0.416 2.445 1.00 0.00 N ATOM 689 CA VAL A 80 12.324 -1.333 1.764 1.00 0.00 C ATOM 690 C VAL A 80 12.052 -0.832 0.353 1.00 0.00 C ATOM 691 O VAL A 80 11.793 -1.617 -0.555 1.00 0.00 O ATOM 692 CB VAL A 80 11.016 -1.474 2.559 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.816 -1.158 1.713 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.891 -2.851 3.183 1.00 0.00 C ATOM 0 H VAL A 80 12.722 0.198 3.103 1.00 0.00 H new ATOM 0 HA VAL A 80 12.796 -2.313 1.693 1.00 0.00 H new ATOM 0 HB VAL A 80 11.053 -0.743 3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.911 -1.269 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.887 -0.133 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.778 -1.842 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.955 -2.916 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.901 -3.608 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.727 -3.020 3.862 1.00 0.00 H new ATOM 704 N GLY A 81 12.061 0.487 0.184 1.00 0.00 N ATOM 705 CA GLY A 81 11.768 1.048 -1.111 1.00 0.00 C ATOM 706 C GLY A 81 12.701 0.523 -2.184 1.00 0.00 C ATOM 707 O GLY A 81 12.265 0.158 -3.277 1.00 0.00 O ATOM 0 H GLY A 81 12.265 1.167 0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.738 0.816 -1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.848 2.134 -1.062 1.00 0.00 H new ATOM 711 N SER A 82 13.979 0.422 -1.852 1.00 0.00 N ATOM 712 CA SER A 82 14.967 -0.122 -2.764 1.00 0.00 C ATOM 713 C SER A 82 15.157 -1.624 -2.543 1.00 0.00 C ATOM 714 O SER A 82 16.207 -2.181 -2.877 1.00 0.00 O ATOM 715 CB SER A 82 16.296 0.613 -2.587 1.00 0.00 C ATOM 716 OG SER A 82 16.156 1.995 -2.886 1.00 0.00 O ATOM 0 H SER A 82 14.356 0.713 -0.950 1.00 0.00 H new ATOM 0 HA SER A 82 14.609 0.022 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.649 0.493 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.050 0.171 -3.238 1.00 0.00 H new ATOM 0 HG SER A 82 17.018 2.445 -2.764 1.00 0.00 H new ATOM 722 N ALA A 83 14.111 -2.296 -2.076 1.00 0.00 N ATOM 723 CA ALA A 83 14.149 -3.743 -1.938 1.00 0.00 C ATOM 724 C ALA A 83 13.896 -4.383 -3.297 1.00 0.00 C ATOM 725 O ALA A 83 13.000 -3.959 -4.033 1.00 0.00 O ATOM 726 CB ALA A 83 13.131 -4.221 -0.901 1.00 0.00 C ATOM 0 H ALA A 83 13.233 -1.864 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 83 15.134 -4.045 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.180 -5.307 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.358 -3.772 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.129 -3.926 -1.212 1.00 0.00 H new ATOM 732 N SER A 84 14.735 -5.338 -3.665 1.00 0.00 N ATOM 733 CA SER A 84 14.645 -5.975 -4.968 1.00 0.00 C ATOM 734 C SER A 84 13.301 -6.674 -5.140 1.00 0.00 C ATOM 735 O SER A 84 12.669 -6.582 -6.193 1.00 0.00 O ATOM 736 CB SER A 84 15.796 -6.968 -5.137 1.00 0.00 C ATOM 737 OG SER A 84 17.036 -6.349 -4.845 1.00 0.00 O ATOM 0 H SER A 84 15.490 -5.690 -3.076 1.00 0.00 H new ATOM 0 HA SER A 84 14.722 -5.208 -5.739 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.646 -7.823 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.806 -7.351 -6.157 1.00 0.00 H new ATOM 0 HG SER A 84 17.761 -6.999 -4.957 1.00 0.00 H new ATOM 743 N ASN A 85 12.836 -7.313 -4.077 1.00 0.00 N ATOM 744 CA ASN A 85 11.539 -7.977 -4.092 1.00 0.00 C ATOM 745 C ASN A 85 10.481 -7.151 -3.369 1.00 0.00 C ATOM 746 O ASN A 85 9.471 -7.690 -2.912 1.00 0.00 O ATOM 747 CB ASN A 85 11.629 -9.368 -3.461 1.00 0.00 C ATOM 748 CG ASN A 85 12.403 -9.378 -2.151 1.00 0.00 C ATOM 749 OD1 ASN A 85 12.157 -8.566 -1.260 1.00 0.00 O ATOM 750 ND2 ASN A 85 13.330 -10.313 -2.024 1.00 0.00 N ATOM 0 H ASN A 85 13.337 -7.386 -3.192 1.00 0.00 H new ATOM 0 HA ASN A 85 11.242 -8.080 -5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.622 -9.747 -3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.107 -10.050 -4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.872 -10.380 -1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.503 -10.967 -2.787 1.00 0.00 H new ATOM 757 N PHE A 86 10.675 -5.836 -3.340 1.00 0.00 N ATOM 758 CA PHE A 86 9.708 -4.932 -2.729 1.00 0.00 C ATOM 759 C PHE A 86 8.353 -5.059 -3.407 1.00 0.00 C ATOM 760 O PHE A 86 7.320 -5.120 -2.742 1.00 0.00 O ATOM 761 CB PHE A 86 10.186 -3.481 -2.823 1.00 0.00 C ATOM 762 CG PHE A 86 9.126 -2.479 -2.466 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.570 -2.463 -1.200 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.696 -1.545 -3.392 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.606 -1.534 -0.864 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.731 -0.616 -3.062 1.00 0.00 C ATOM 767 CZ PHE A 86 7.149 -0.639 -1.817 1.00 0.00 C ATOM 0 H PHE A 86 11.494 -5.373 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 86 9.612 -5.209 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.042 -3.345 -2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.533 -3.286 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.894 -3.186 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.121 -1.543 -4.385 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.209 -1.505 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.432 0.131 -3.783 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.340 0.037 -1.583 1.00 0.00 H new ATOM 777 N ASP A 87 8.373 -5.088 -4.732 1.00 0.00 N ATOM 778 CA ASP A 87 7.145 -5.197 -5.524 1.00 0.00 C ATOM 779 C ASP A 87 6.353 -6.438 -5.136 1.00 0.00 C ATOM 780 O ASP A 87 5.143 -6.375 -4.912 1.00 0.00 O ATOM 781 CB ASP A 87 7.462 -5.262 -7.020 1.00 0.00 C ATOM 782 CG ASP A 87 7.532 -3.902 -7.683 1.00 0.00 C ATOM 783 OD1 ASP A 87 7.298 -2.883 -7.009 1.00 0.00 O ATOM 784 OD2 ASP A 87 7.808 -3.848 -8.903 1.00 0.00 O ATOM 0 H ASP A 87 9.227 -5.038 -5.288 1.00 0.00 H new ATOM 0 HA ASP A 87 6.549 -4.308 -5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.414 -5.775 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.701 -5.862 -7.519 1.00 0.00 H new ATOM 789 N LEU A 88 7.051 -7.563 -5.053 1.00 0.00 N ATOM 790 CA LEU A 88 6.433 -8.833 -4.705 1.00 0.00 C ATOM 791 C LEU A 88 5.849 -8.764 -3.299 1.00 0.00 C ATOM 792 O LEU A 88 4.691 -9.117 -3.069 1.00 0.00 O ATOM 793 CB LEU A 88 7.480 -9.956 -4.817 1.00 0.00 C ATOM 794 CG LEU A 88 6.980 -11.388 -4.581 1.00 0.00 C ATOM 795 CD1 LEU A 88 7.113 -11.780 -3.119 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.538 -11.528 -5.035 1.00 0.00 C ATOM 0 H LEU A 88 8.055 -7.620 -5.224 1.00 0.00 H new ATOM 0 HA LEU A 88 5.617 -9.047 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.924 -9.910 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.277 -9.751 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 88 7.601 -12.062 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.751 -12.799 -2.981 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.160 -11.723 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.523 -11.100 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.199 -12.549 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.911 -10.837 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.467 -11.299 -6.098 1.00 0.00 H new ATOM 808 N TYR A 89 6.648 -8.263 -2.380 1.00 0.00 N ATOM 809 CA TYR A 89 6.234 -8.123 -0.998 1.00 0.00 C ATOM 810 C TYR A 89 5.028 -7.198 -0.867 1.00 0.00 C ATOM 811 O TYR A 89 4.105 -7.473 -0.100 1.00 0.00 O ATOM 812 CB TYR A 89 7.388 -7.583 -0.166 1.00 0.00 C ATOM 813 CG TYR A 89 8.459 -8.600 0.169 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.652 -9.729 -0.616 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.279 -8.422 1.272 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.631 -10.653 -0.307 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.261 -9.337 1.587 1.00 0.00 C ATOM 818 CZ TYR A 89 10.434 -10.454 0.797 1.00 0.00 C ATOM 819 OH TYR A 89 11.405 -11.376 1.119 1.00 0.00 O ATOM 0 H TYR A 89 7.598 -7.943 -2.568 1.00 0.00 H new ATOM 0 HA TYR A 89 5.945 -9.108 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.849 -6.754 -0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.989 -7.177 0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.027 -9.887 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.146 -7.551 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.767 -11.527 -0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.892 -9.180 2.449 1.00 0.00 H new ATOM 0 HH TYR A 89 11.881 -11.083 1.924 1.00 0.00 H new ATOM 829 N PHE A 90 5.065 -6.088 -1.592 1.00 0.00 N ATOM 830 CA PHE A 90 4.001 -5.092 -1.542 1.00 0.00 C ATOM 831 C PHE A 90 2.667 -5.685 -1.972 1.00 0.00 C ATOM 832 O PHE A 90 1.656 -5.519 -1.290 1.00 0.00 O ATOM 833 CB PHE A 90 4.349 -3.904 -2.442 1.00 0.00 C ATOM 834 CG PHE A 90 3.284 -2.847 -2.484 1.00 0.00 C ATOM 835 CD1 PHE A 90 3.113 -1.982 -1.416 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.466 -2.711 -3.594 1.00 0.00 C ATOM 837 CE1 PHE A 90 2.141 -1.001 -1.452 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.493 -1.731 -3.634 1.00 0.00 C ATOM 839 CZ PHE A 90 1.300 -0.908 -2.559 1.00 0.00 C ATOM 0 H PHE A 90 5.827 -5.853 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 90 3.909 -4.754 -0.510 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.280 -3.456 -2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.529 -4.267 -3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.746 -2.075 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.590 -3.377 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.034 -0.311 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.883 -1.614 -4.517 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.496 -0.187 -2.568 1.00 0.00 H new ATOM 849 N ASN A 91 2.664 -6.353 -3.117 1.00 0.00 N ATOM 850 CA ASN A 91 1.442 -6.933 -3.660 1.00 0.00 C ATOM 851 C ASN A 91 0.876 -7.998 -2.726 1.00 0.00 C ATOM 852 O ASN A 91 -0.336 -8.077 -2.527 1.00 0.00 O ATOM 853 CB ASN A 91 1.685 -7.505 -5.060 1.00 0.00 C ATOM 854 CG ASN A 91 1.819 -6.413 -6.108 1.00 0.00 C ATOM 855 OD1 ASN A 91 0.880 -5.660 -6.367 1.00 0.00 O ATOM 856 ND2 ASN A 91 2.990 -6.313 -6.719 1.00 0.00 N ATOM 0 H ASN A 91 3.494 -6.507 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 91 0.702 -6.137 -3.744 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.591 -8.112 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.861 -8.166 -5.329 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.135 -5.595 -7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.747 -6.954 -6.480 1.00 0.00 H new ATOM 863 N ASN A 92 1.757 -8.757 -2.080 1.00 0.00 N ATOM 864 CA ASN A 92 1.322 -9.733 -1.084 1.00 0.00 C ATOM 865 C ASN A 92 0.729 -9.026 0.129 1.00 0.00 C ATOM 866 O ASN A 92 -0.297 -9.451 0.666 1.00 0.00 O ATOM 867 CB ASN A 92 2.478 -10.631 -0.640 1.00 0.00 C ATOM 868 CG ASN A 92 2.784 -11.732 -1.632 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.891 -12.470 -2.060 1.00 0.00 O ATOM 870 ND2 ASN A 92 4.048 -11.869 -1.993 1.00 0.00 N ATOM 0 H ASN A 92 2.766 -8.717 -2.226 1.00 0.00 H new ATOM 0 HA ASN A 92 0.559 -10.358 -1.548 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.370 -10.021 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.236 -11.076 0.325 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.315 -12.605 -2.647 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.757 -11.239 -1.617 1.00 0.00 H new ATOM 877 N ALA A 93 1.381 -7.946 0.548 1.00 0.00 N ATOM 878 CA ALA A 93 0.936 -7.164 1.694 1.00 0.00 C ATOM 879 C ALA A 93 -0.458 -6.588 1.463 1.00 0.00 C ATOM 880 O ALA A 93 -1.297 -6.605 2.361 1.00 0.00 O ATOM 881 CB ALA A 93 1.929 -6.050 1.995 1.00 0.00 C ATOM 0 H ALA A 93 2.228 -7.590 0.105 1.00 0.00 H new ATOM 0 HA ALA A 93 0.885 -7.830 2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.582 -5.475 2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.904 -6.482 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.013 -5.393 1.129 1.00 0.00 H new ATOM 887 N ILE A 94 -0.705 -6.107 0.247 1.00 0.00 N ATOM 888 CA ILE A 94 -2.011 -5.565 -0.114 1.00 0.00 C ATOM 889 C ILE A 94 -3.093 -6.631 0.039 1.00 0.00 C ATOM 890 O ILE A 94 -4.126 -6.395 0.670 1.00 0.00 O ATOM 891 CB ILE A 94 -2.025 -5.035 -1.569 1.00 0.00 C ATOM 892 CG1 ILE A 94 -1.083 -3.835 -1.713 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.439 -4.659 -1.999 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.497 -2.627 -0.897 1.00 0.00 C ATOM 0 H ILE A 94 -0.017 -6.082 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.213 -4.734 0.562 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.673 -5.833 -2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.079 -4.136 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.031 -3.551 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.421 -4.290 -3.024 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.083 -5.537 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.825 -3.881 -1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.781 -1.820 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.488 -2.298 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.521 -2.893 0.160 1.00 0.00 H new ATOM 906 N LYS A 95 -2.830 -7.808 -0.521 1.00 0.00 N ATOM 907 CA LYS A 95 -3.773 -8.917 -0.462 1.00 0.00 C ATOM 908 C LYS A 95 -4.030 -9.348 0.978 1.00 0.00 C ATOM 909 O LYS A 95 -5.170 -9.594 1.362 1.00 0.00 O ATOM 910 CB LYS A 95 -3.256 -10.104 -1.275 1.00 0.00 C ATOM 911 CG LYS A 95 -3.091 -9.799 -2.754 1.00 0.00 C ATOM 912 CD LYS A 95 -2.582 -11.009 -3.517 1.00 0.00 C ATOM 913 CE LYS A 95 -2.441 -10.712 -5.000 1.00 0.00 C ATOM 914 NZ LYS A 95 -1.429 -9.655 -5.265 1.00 0.00 N ATOM 0 H LYS A 95 -1.967 -8.018 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.714 -8.574 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.296 -10.422 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.945 -10.941 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.047 -9.481 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.396 -8.969 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.617 -11.316 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -3.267 -11.845 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.159 -11.624 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.405 -10.398 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.759 -9.989 -5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.906 -8.796 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.913 -9.440 -4.388 1.00 0.00 H new ATOM 928 N LYS A 96 -2.970 -9.428 1.772 1.00 0.00 N ATOM 929 CA LYS A 96 -3.100 -9.807 3.172 1.00 0.00 C ATOM 930 C LYS A 96 -3.823 -8.719 3.956 1.00 0.00 C ATOM 931 O LYS A 96 -4.585 -9.002 4.876 1.00 0.00 O ATOM 932 CB LYS A 96 -1.725 -10.061 3.793 1.00 0.00 C ATOM 933 CG LYS A 96 -1.786 -10.406 5.274 1.00 0.00 C ATOM 934 CD LYS A 96 -2.343 -11.801 5.506 1.00 0.00 C ATOM 935 CE LYS A 96 -2.405 -12.135 6.989 1.00 0.00 C ATOM 936 NZ LYS A 96 -1.077 -12.004 7.642 1.00 0.00 N ATOM 0 H LYS A 96 -2.014 -9.236 1.472 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.684 -10.726 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.237 -10.876 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.105 -9.175 3.659 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.787 -10.337 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.407 -9.676 5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.341 -11.872 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.720 -12.533 4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.118 -11.473 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.774 -13.153 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.098 -12.474 8.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.351 -12.449 7.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.851 -10.997 7.770 1.00 0.00 H new ATOM 950 N GLY A 97 -3.524 -7.478 3.628 1.00 0.00 N ATOM 951 CA GLY A 97 -4.089 -6.364 4.352 1.00 0.00 C ATOM 952 C GLY A 97 -5.594 -6.271 4.223 1.00 0.00 C ATOM 953 O GLY A 97 -6.280 -5.972 5.197 1.00 0.00 O ATOM 0 H GLY A 97 -2.895 -7.219 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.826 -6.453 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.642 -5.439 3.989 1.00 0.00 H new ATOM 957 N VAL A 98 -6.110 -6.464 3.018 1.00 0.00 N ATOM 958 CA VAL A 98 -7.545 -6.335 2.792 1.00 0.00 C ATOM 959 C VAL A 98 -8.328 -7.403 3.558 1.00 0.00 C ATOM 960 O VAL A 98 -9.381 -7.115 4.130 1.00 0.00 O ATOM 961 CB VAL A 98 -7.916 -6.368 1.288 1.00 0.00 C ATOM 962 CG1 VAL A 98 -7.313 -5.173 0.568 1.00 0.00 C ATOM 963 CG2 VAL A 98 -7.466 -7.660 0.632 1.00 0.00 C ATOM 0 H VAL A 98 -5.566 -6.707 2.190 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.828 -5.354 3.174 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.002 -6.317 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.582 -5.210 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.696 -4.252 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.228 -5.198 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.743 -7.648 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.384 -7.756 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.948 -8.505 1.124 1.00 0.00 H new ATOM 973 N GLU A 99 -7.770 -8.607 3.644 1.00 0.00 N ATOM 974 CA GLU A 99 -8.396 -9.690 4.402 1.00 0.00 C ATOM 975 C GLU A 99 -8.210 -9.505 5.907 1.00 0.00 C ATOM 976 O GLU A 99 -9.114 -9.801 6.687 1.00 0.00 O ATOM 977 CB GLU A 99 -7.840 -11.051 3.977 1.00 0.00 C ATOM 978 CG GLU A 99 -6.348 -11.053 3.720 1.00 0.00 C ATOM 979 CD GLU A 99 -5.760 -12.449 3.707 1.00 0.00 C ATOM 980 OE1 GLU A 99 -5.944 -13.179 4.701 1.00 0.00 O ATOM 981 OE2 GLU A 99 -5.107 -12.822 2.710 1.00 0.00 O ATOM 0 H GLU A 99 -6.887 -8.859 3.200 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.463 -9.658 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.066 -11.783 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.355 -11.376 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.147 -10.570 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -5.850 -10.460 4.488 1.00 0.00 H new ATOM 988 N ALA A 100 -7.013 -9.100 6.314 1.00 0.00 N ATOM 989 CA ALA A 100 -6.694 -8.948 7.731 1.00 0.00 C ATOM 990 C ALA A 100 -7.490 -7.810 8.357 1.00 0.00 C ATOM 991 O ALA A 100 -7.732 -7.799 9.565 1.00 0.00 O ATOM 992 CB ALA A 100 -5.204 -8.712 7.919 1.00 0.00 C ATOM 0 H ALA A 100 -6.245 -8.870 5.683 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.971 -9.873 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.984 -8.601 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.648 -9.561 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.910 -7.805 7.391 1.00 0.00 H new ATOM 998 N GLY A 101 -7.828 -6.824 7.544 1.00 0.00 N ATOM 999 CA GLY A 101 -8.525 -5.656 8.043 1.00 0.00 C ATOM 1000 C GLY A 101 -7.587 -4.483 8.205 1.00 0.00 C ATOM 1001 O GLY A 101 -7.665 -3.729 9.177 1.00 0.00 O ATOM 0 H GLY A 101 -7.632 -6.810 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.329 -5.389 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.988 -5.889 9.002 1.00 0.00 H new ATOM 1005 N ASP A 102 -6.697 -4.333 7.240 1.00 0.00 N ATOM 1006 CA ASP A 102 -5.724 -3.260 7.240 1.00 0.00 C ATOM 1007 C ASP A 102 -6.031 -2.316 6.094 1.00 0.00 C ATOM 1008 O ASP A 102 -6.010 -1.096 6.252 1.00 0.00 O ATOM 1009 CB ASP A 102 -4.307 -3.806 7.043 1.00 0.00 C ATOM 1010 CG ASP A 102 -3.897 -4.863 8.048 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -4.568 -4.970 9.097 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -2.933 -5.615 7.787 1.00 0.00 O ATOM 0 H ASP A 102 -6.630 -4.954 6.434 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.779 -2.745 8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.229 -4.226 6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -3.601 -2.977 7.097 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.335 -2.896 4.937 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.618 -2.114 3.741 1.00 0.00 C ATOM 1019 C PHE A 103 -7.938 -2.550 3.113 1.00 0.00 C ATOM 1020 O PHE A 103 -8.471 -3.605 3.445 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.488 -2.263 2.712 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.109 -2.346 3.308 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.553 -1.268 3.976 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.367 -3.508 3.192 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.289 -1.351 4.522 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.101 -3.599 3.736 1.00 0.00 C ATOM 1027 CZ PHE A 103 -1.560 -2.518 4.403 1.00 0.00 C ATOM 0 H PHE A 103 -6.391 -3.906 4.804 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.692 -1.068 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.669 -3.160 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.524 -1.416 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.116 -0.351 4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.784 -4.356 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.869 -0.503 5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.535 -4.514 3.640 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.570 -2.585 4.830 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.449 -1.735 2.208 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.688 -2.016 1.497 1.00 0.00 C ATOM 1039 C GLU A 104 -9.564 -1.563 0.053 1.00 0.00 C ATOM 1040 O GLU A 104 -8.928 -0.547 -0.231 1.00 0.00 O ATOM 1041 CB GLU A 104 -10.871 -1.306 2.154 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.585 -2.145 3.193 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.814 -1.463 3.749 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.701 -1.084 2.955 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -12.910 -1.319 4.984 1.00 0.00 O ATOM 0 H GLU A 104 -8.014 -0.852 1.942 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.866 -3.091 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.517 -0.387 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.584 -1.016 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.873 -3.098 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.898 -2.368 4.009 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.137 -2.335 -0.856 1.00 0.00 N ATOM 1053 CA GLN A 105 -10.076 -2.010 -2.273 1.00 0.00 C ATOM 1054 C GLN A 105 -11.472 -1.707 -2.813 1.00 0.00 C ATOM 1055 O GLN A 105 -12.369 -2.546 -2.746 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.443 -3.167 -3.049 1.00 0.00 C ATOM 1057 CG GLN A 105 -8.007 -3.454 -2.639 1.00 0.00 C ATOM 1058 CD GLN A 105 -7.453 -4.716 -3.270 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -7.990 -5.808 -3.085 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -6.366 -4.576 -4.013 1.00 0.00 N ATOM 0 H GLN A 105 -10.649 -3.190 -0.639 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.459 -1.121 -2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -10.042 -4.065 -2.900 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.470 -2.938 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.379 -2.608 -2.919 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.956 -3.544 -1.554 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.952 -3.653 -4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.943 -5.391 -4.457 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.690 -0.473 -3.294 1.00 0.00 N ATOM 1070 CA PRO A 106 -12.997 -0.031 -3.794 1.00 0.00 C ATOM 1071 C PRO A 106 -13.454 -0.817 -5.021 1.00 0.00 C ATOM 1072 O PRO A 106 -14.629 -1.157 -5.148 1.00 0.00 O ATOM 1073 CB PRO A 106 -12.771 1.441 -4.160 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.546 1.841 -3.412 1.00 0.00 C ATOM 1075 CD PRO A 106 -10.697 0.608 -3.335 1.00 0.00 C ATOM 0 HA PRO A 106 -13.780 -0.184 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -12.635 1.564 -5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.626 2.054 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.020 2.647 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.797 2.206 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.037 0.518 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.064 0.608 -2.448 1.00 0.00 H new ATOM 1083 N LYS A 107 -12.530 -1.080 -5.936 1.00 0.00 N ATOM 1084 CA LYS A 107 -12.868 -1.785 -7.164 1.00 0.00 C ATOM 1085 C LYS A 107 -12.868 -3.290 -6.939 1.00 0.00 C ATOM 1086 O LYS A 107 -13.889 -3.959 -7.113 1.00 0.00 O ATOM 1087 CB LYS A 107 -11.877 -1.439 -8.280 1.00 0.00 C ATOM 1088 CG LYS A 107 -11.781 0.046 -8.593 1.00 0.00 C ATOM 1089 CD LYS A 107 -10.945 0.299 -9.840 1.00 0.00 C ATOM 1090 CE LYS A 107 -9.538 -0.260 -9.699 1.00 0.00 C ATOM 1091 NZ LYS A 107 -8.727 -0.065 -10.931 1.00 0.00 N ATOM 0 H LYS A 107 -11.548 -0.818 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.867 -1.468 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.889 -1.804 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.167 -1.971 -9.186 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.781 0.455 -8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.340 0.570 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -11.432 -0.156 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.893 1.371 -10.032 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.040 0.223 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -9.594 -1.324 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.776 -0.462 -10.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.187 -0.548 -11.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.650 0.951 -11.139 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.717 -3.812 -6.546 1.00 0.00 N ATOM 1106 CA GLY A 108 -11.577 -5.227 -6.306 1.00 0.00 C ATOM 1107 C GLY A 108 -10.123 -5.627 -6.252 1.00 0.00 C ATOM 1108 O GLY A 108 -9.268 -4.792 -5.949 1.00 0.00 O ATOM 0 H GLY A 108 -10.868 -3.270 -6.388 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -12.065 -5.490 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.082 -5.785 -7.095 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.804 -6.885 -6.582 1.00 0.00 N ATOM 1113 CA PRO A 109 -8.425 -7.383 -6.577 1.00 0.00 C ATOM 1114 C PRO A 109 -7.503 -6.577 -7.483 1.00 0.00 C ATOM 1115 O PRO A 109 -7.828 -6.314 -8.646 1.00 0.00 O ATOM 1116 CB PRO A 109 -8.554 -8.817 -7.094 1.00 0.00 C ATOM 1117 CG PRO A 109 -9.969 -9.192 -6.835 1.00 0.00 C ATOM 1118 CD PRO A 109 -10.761 -7.925 -6.991 1.00 0.00 C ATOM 0 HA PRO A 109 -7.980 -7.310 -5.585 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.318 -8.877 -8.156 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.867 -9.487 -6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.307 -9.954 -7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.087 -9.607 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.097 -7.783 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.651 -7.925 -6.361 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.336 -6.239 -6.945 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.292 -5.521 -7.673 1.00 0.00 C ATOM 1128 C ALA A 110 -5.763 -4.151 -8.160 1.00 0.00 C ATOM 1129 O ALA A 110 -5.223 -3.607 -9.123 1.00 0.00 O ATOM 1130 CB ALA A 110 -4.786 -6.361 -8.838 1.00 0.00 C ATOM 0 H ALA A 110 -6.084 -6.457 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.471 -5.347 -6.977 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.009 -5.813 -9.371 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.376 -7.298 -8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.611 -6.574 -9.518 1.00 0.00 H new ATOM 1136 N GLY A 111 -6.698 -3.556 -7.435 1.00 0.00 N ATOM 1137 CA GLY A 111 -7.146 -2.222 -7.774 1.00 0.00 C ATOM 1138 C GLY A 111 -6.601 -1.179 -6.822 1.00 0.00 C ATOM 1139 O GLY A 111 -5.645 -1.445 -6.090 1.00 0.00 O ATOM 0 H GLY A 111 -7.153 -3.971 -6.622 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.834 -1.983 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.235 -2.191 -7.760 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.268 -0.029 -6.763 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.897 1.029 -5.829 1.00 0.00 C ATOM 1145 C ALA A 112 -7.069 0.558 -4.396 1.00 0.00 C ATOM 1146 O ALA A 112 -7.948 -0.254 -4.104 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.733 2.280 -6.067 1.00 0.00 C ATOM 0 H ALA A 112 -8.070 0.194 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.848 1.274 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.438 3.055 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.571 2.638 -7.084 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.788 2.044 -5.929 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.240 1.071 -3.506 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.328 0.721 -2.100 1.00 0.00 C ATOM 1155 C VAL A 113 -6.643 1.954 -1.269 1.00 0.00 C ATOM 1156 O VAL A 113 -6.282 3.073 -1.636 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.018 0.081 -1.577 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.178 -0.410 -0.140 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.577 -1.059 -2.482 1.00 0.00 C ATOM 0 H VAL A 113 -5.497 1.732 -3.732 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.129 -0.012 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.246 0.850 -1.587 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.242 -0.854 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.436 0.430 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.971 -1.157 -0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.655 -1.494 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.354 -1.822 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.405 -0.679 -3.489 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.276 1.725 -0.138 1.00 0.00 N ATOM 1170 CA LYS A 114 -7.554 2.760 0.832 1.00 0.00 C ATOM 1171 C LYS A 114 -7.765 2.102 2.178 1.00 0.00 C ATOM 1172 O LYS A 114 -7.964 0.889 2.231 1.00 0.00 O ATOM 1173 CB LYS A 114 -8.751 3.611 0.410 1.00 0.00 C ATOM 1174 CG LYS A 114 -9.995 2.822 0.008 1.00 0.00 C ATOM 1175 CD LYS A 114 -10.804 2.348 1.210 1.00 0.00 C ATOM 1176 CE LYS A 114 -11.360 3.514 2.015 1.00 0.00 C ATOM 1177 NZ LYS A 114 -12.288 3.058 3.080 1.00 0.00 N ATOM 0 H LYS A 114 -7.616 0.803 0.136 1.00 0.00 H new ATOM 0 HA LYS A 114 -6.710 3.446 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.012 4.277 1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.452 4.241 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.626 3.444 -0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.696 1.959 -0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.625 1.718 0.869 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.174 1.732 1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.537 4.070 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -11.882 4.200 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.811 3.874 3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.960 2.370 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -11.745 2.610 3.846 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.491 2.829 3.247 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.484 2.234 4.571 1.00 0.00 C ATOM 1193 C LEU A 115 -8.781 1.495 4.867 1.00 0.00 C ATOM 1194 O LEU A 115 -9.875 2.026 4.665 1.00 0.00 O ATOM 1195 CB LEU A 115 -7.264 3.306 5.639 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.880 3.341 6.282 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -5.580 2.028 6.983 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.812 3.649 5.256 1.00 0.00 C ATOM 0 H LEU A 115 -7.272 3.825 3.225 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.665 1.516 4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.459 4.281 5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.004 3.163 6.426 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.876 4.138 7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.589 2.075 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.324 1.852 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.611 1.214 6.259 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.836 3.668 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.818 2.881 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.011 4.621 4.804 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.643 0.297 5.414 1.00 0.00 N ATOM 1211 CA ALA A 116 -9.799 -0.470 5.846 1.00 0.00 C ATOM 1212 C ALA A 116 -10.462 0.213 7.025 1.00 0.00 C ATOM 1213 O ALA A 116 -9.791 0.825 7.857 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.418 -1.893 6.218 1.00 0.00 C ATOM 0 H ALA A 116 -7.746 -0.163 5.568 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.499 -0.518 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.308 -2.437 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -8.979 -2.390 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.694 -1.875 7.032 1.00 0.00 H new ATOM 1220 N LYS A 117 -11.778 0.163 7.048 1.00 0.00 N ATOM 1221 CA LYS A 117 -12.559 0.816 8.089 1.00 0.00 C ATOM 1222 C LYS A 117 -12.200 0.263 9.468 1.00 0.00 C ATOM 1223 O LYS A 117 -12.186 0.995 10.460 1.00 0.00 O ATOM 1224 CB LYS A 117 -14.053 0.623 7.829 1.00 0.00 C ATOM 1225 CG LYS A 117 -14.481 0.976 6.413 1.00 0.00 C ATOM 1226 CD LYS A 117 -15.988 0.863 6.242 1.00 0.00 C ATOM 1227 CE LYS A 117 -16.381 0.783 4.777 1.00 0.00 C ATOM 1228 NZ LYS A 117 -15.998 -0.521 4.171 1.00 0.00 N ATOM 0 H LYS A 117 -12.338 -0.328 6.351 1.00 0.00 H new ATOM 0 HA LYS A 117 -12.325 1.880 8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.316 -0.416 8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -14.617 1.236 8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -14.162 1.991 6.178 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -13.983 0.313 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -16.348 -0.023 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.472 1.724 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.457 0.926 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.902 1.593 4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -16.678 -0.770 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.045 -0.447 3.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.003 -1.259 4.904 1.00 0.00 H new ATOM 1242 N LYS A 118 -11.937 -1.036 9.521 1.00 0.00 N ATOM 1243 CA LYS A 118 -11.637 -1.715 10.774 1.00 0.00 C ATOM 1244 C LYS A 118 -11.028 -3.079 10.479 1.00 0.00 C ATOM 1245 O LYS A 118 -11.206 -3.603 9.379 1.00 0.00 O ATOM 1246 CB LYS A 118 -12.924 -1.893 11.581 1.00 0.00 C ATOM 1247 CG LYS A 118 -12.704 -2.233 13.046 1.00 0.00 C ATOM 1248 CD LYS A 118 -14.026 -2.325 13.788 1.00 0.00 C ATOM 1249 CE LYS A 118 -14.789 -1.013 13.719 1.00 0.00 C ATOM 1250 NZ LYS A 118 -16.186 -1.151 14.202 1.00 0.00 N ATOM 0 H LYS A 118 -11.926 -1.645 8.703 1.00 0.00 H new ATOM 0 HA LYS A 118 -10.929 -1.118 11.349 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.508 -0.975 11.517 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -13.520 -2.682 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -12.171 -3.180 13.127 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -12.075 -1.473 13.509 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -14.632 -3.124 13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -13.843 -2.588 14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -14.272 -0.262 14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -14.796 -0.652 12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -16.668 -0.232 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -16.689 -1.848 13.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -16.181 -1.470 15.192 1.00 0.00 H new ATOM 1264 N LYS A 119 -10.327 -3.659 11.451 1.00 0.00 N ATOM 1265 CA LYS A 119 -9.772 -4.993 11.268 1.00 0.00 C ATOM 1266 C LYS A 119 -10.905 -6.001 11.091 1.00 0.00 C ATOM 1267 O LYS A 119 -10.957 -6.706 10.079 1.00 0.00 O ATOM 1268 CB LYS A 119 -8.854 -5.398 12.436 1.00 0.00 C ATOM 1269 CG LYS A 119 -9.532 -5.467 13.797 1.00 0.00 C ATOM 1270 CD LYS A 119 -9.275 -4.225 14.636 1.00 0.00 C ATOM 1271 CE LYS A 119 -7.800 -4.075 14.976 1.00 0.00 C ATOM 1272 NZ LYS A 119 -7.565 -3.020 15.997 1.00 0.00 N ATOM 0 H LYS A 119 -10.133 -3.233 12.357 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.155 -4.984 10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.419 -6.373 12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.030 -4.687 12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.606 -5.593 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.174 -6.345 14.334 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.616 -3.342 14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.857 -4.279 15.556 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.415 -5.026 15.343 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.243 -3.833 14.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.547 -2.952 16.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.909 -2.106 15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.075 -3.262 16.870 1.00 0.00 H new ATOM 1286 N SER A 120 -11.888 -5.938 11.998 1.00 0.00 N ATOM 1287 CA SER A 120 -13.113 -6.730 11.899 1.00 0.00 C ATOM 1288 C SER A 120 -12.836 -8.241 11.922 1.00 0.00 C ATOM 1289 O SER A 120 -11.720 -8.691 11.658 1.00 0.00 O ATOM 1290 CB SER A 120 -13.880 -6.335 10.630 1.00 0.00 C ATOM 1291 OG SER A 120 -14.294 -4.980 10.682 1.00 0.00 O ATOM 0 H SER A 120 -11.853 -5.335 12.820 1.00 0.00 H new ATOM 0 HA SER A 120 -13.723 -6.513 12.776 1.00 0.00 H new ATOM 0 HB2 SER A 120 -13.248 -6.491 9.756 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.751 -6.980 10.513 1.00 0.00 H new ATOM 0 HG SER A 120 -14.779 -4.754 9.861 1.00 0.00 H new ATOM 1297 N PRO A 121 -13.831 -9.049 12.322 1.00 0.00 N ATOM 1298 CA PRO A 121 -13.690 -10.507 12.374 1.00 0.00 C ATOM 1299 C PRO A 121 -13.454 -11.098 10.987 1.00 0.00 C ATOM 1300 O PRO A 121 -13.568 -10.395 9.982 1.00 0.00 O ATOM 1301 CB PRO A 121 -15.035 -10.992 12.920 1.00 0.00 C ATOM 1302 CG PRO A 121 -15.664 -9.791 13.541 1.00 0.00 C ATOM 1303 CD PRO A 121 -15.171 -8.615 12.750 1.00 0.00 C ATOM 0 HA PRO A 121 -12.838 -10.809 12.984 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -15.660 -11.396 12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -14.898 -11.788 13.653 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -16.751 -9.857 13.506 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -15.384 -9.701 14.590 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -15.818 -8.400 11.899 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -15.129 -7.709 13.355 1.00 0.00 H new ATOM 1311 N GLU A 122 -13.113 -12.380 10.937 1.00 0.00 N ATOM 1312 CA GLU A 122 -12.861 -13.053 9.669 1.00 0.00 C ATOM 1313 C GLU A 122 -14.100 -13.023 8.775 1.00 0.00 C ATOM 1314 O GLU A 122 -15.170 -13.517 9.141 1.00 0.00 O ATOM 1315 CB GLU A 122 -12.399 -14.492 9.907 1.00 0.00 C ATOM 1316 CG GLU A 122 -13.246 -15.263 10.909 1.00 0.00 C ATOM 1317 CD GLU A 122 -12.777 -16.691 11.089 1.00 0.00 C ATOM 1318 OE1 GLU A 122 -11.590 -16.891 11.421 1.00 0.00 O ATOM 1319 OE2 GLU A 122 -13.592 -17.620 10.895 1.00 0.00 O ATOM 0 H GLU A 122 -13.005 -12.974 11.759 1.00 0.00 H new ATOM 0 HA GLU A 122 -12.064 -12.516 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -12.406 -15.025 8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -11.367 -14.477 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -13.220 -14.752 11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -14.284 -15.264 10.577 1.00 0.00 H new ATOM 1326 N VAL A 123 -13.963 -12.354 7.645 1.00 0.00 N ATOM 1327 CA VAL A 123 -15.058 -12.178 6.706 1.00 0.00 C ATOM 1328 C VAL A 123 -14.975 -13.202 5.578 1.00 0.00 C ATOM 1329 O VAL A 123 -13.927 -13.341 4.940 1.00 0.00 O ATOM 1330 CB VAL A 123 -15.047 -10.751 6.102 1.00 0.00 C ATOM 1331 CG1 VAL A 123 -16.183 -10.562 5.105 1.00 0.00 C ATOM 1332 CG2 VAL A 123 -15.122 -9.702 7.202 1.00 0.00 C ATOM 0 H VAL A 123 -13.090 -11.917 7.351 1.00 0.00 H new ATOM 0 HA VAL A 123 -15.987 -12.325 7.257 1.00 0.00 H new ATOM 0 HB VAL A 123 -14.107 -10.625 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -16.147 -9.551 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -16.078 -11.282 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -17.138 -10.718 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -15.113 -8.707 6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -16.042 -9.837 7.771 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -14.265 -9.810 7.867 1.00 0.00 H new ATOM 1342 N LYS A 124 -16.108 -13.848 5.298 1.00 0.00 N ATOM 1343 CA LYS A 124 -16.237 -14.770 4.166 1.00 0.00 C ATOM 1344 C LYS A 124 -15.074 -15.764 4.092 1.00 0.00 C ATOM 1345 O LYS A 124 -14.676 -16.339 5.107 1.00 0.00 O ATOM 1346 CB LYS A 124 -16.357 -13.967 2.867 1.00 0.00 C ATOM 1347 CG LYS A 124 -17.664 -13.193 2.766 1.00 0.00 C ATOM 1348 CD LYS A 124 -17.639 -12.134 1.669 1.00 0.00 C ATOM 1349 CE LYS A 124 -17.362 -12.727 0.294 1.00 0.00 C ATOM 1350 NZ LYS A 124 -15.905 -12.812 -0.001 1.00 0.00 N ATOM 0 H LYS A 124 -16.961 -13.748 5.848 1.00 0.00 H new ATOM 0 HA LYS A 124 -17.140 -15.362 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -15.522 -13.270 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.276 -14.646 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -18.480 -13.890 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.872 -12.714 3.723 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.596 -11.612 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -16.875 -11.392 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.801 -13.723 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -17.850 -12.118 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -15.762 -13.313 -0.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -15.509 -11.853 -0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.426 -13.329 0.763 1.00 0.00 H new ATOM 1364 N LYS A 125 -14.543 -15.975 2.891 1.00 0.00 N ATOM 1365 CA LYS A 125 -13.448 -16.914 2.690 1.00 0.00 C ATOM 1366 C LYS A 125 -12.535 -16.444 1.559 1.00 0.00 C ATOM 1367 O LYS A 125 -11.331 -16.274 1.757 1.00 0.00 O ATOM 1368 CB LYS A 125 -14.005 -18.309 2.387 1.00 0.00 C ATOM 1369 CG LYS A 125 -12.939 -19.367 2.138 1.00 0.00 C ATOM 1370 CD LYS A 125 -11.995 -19.507 3.319 1.00 0.00 C ATOM 1371 CE LYS A 125 -11.038 -20.676 3.133 1.00 0.00 C ATOM 1372 NZ LYS A 125 -11.730 -21.989 3.253 1.00 0.00 N ATOM 0 H LYS A 125 -14.856 -15.506 2.041 1.00 0.00 H new ATOM 0 HA LYS A 125 -12.856 -16.962 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.629 -18.628 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -14.651 -18.247 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -13.418 -20.326 1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -12.369 -19.106 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -11.426 -18.586 3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -12.572 -19.650 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -10.564 -20.604 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -10.243 -20.616 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -11.023 -22.749 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -12.326 -21.990 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -12.324 -22.146 2.414 1.00 0.00 H new ATOM 1386 N GLU A 126 -13.124 -16.150 0.406 1.00 0.00 N ATOM 1387 CA GLU A 126 -12.368 -15.608 -0.715 1.00 0.00 C ATOM 1388 C GLU A 126 -12.126 -14.123 -0.510 1.00 0.00 C ATOM 1389 O GLU A 126 -13.035 -13.386 -0.125 1.00 0.00 O ATOM 1390 CB GLU A 126 -13.098 -15.845 -2.036 1.00 0.00 C ATOM 1391 CG GLU A 126 -13.204 -17.311 -2.417 1.00 0.00 C ATOM 1392 CD GLU A 126 -11.858 -18.006 -2.419 1.00 0.00 C ATOM 1393 OE1 GLU A 126 -10.927 -17.518 -3.095 1.00 0.00 O ATOM 1394 OE2 GLU A 126 -11.725 -19.052 -1.747 1.00 0.00 O ATOM 0 H GLU A 126 -14.119 -16.277 0.224 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.409 -16.124 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -14.100 -15.422 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -12.579 -15.308 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -13.870 -17.818 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -13.655 -17.395 -3.406 1.00 0.00 H new ATOM 1401 N LYS A 127 -10.888 -13.698 -0.713 1.00 0.00 N ATOM 1402 CA LYS A 127 -10.500 -12.322 -0.476 1.00 0.00 C ATOM 1403 C LYS A 127 -10.887 -11.419 -1.642 1.00 0.00 C ATOM 1404 O LYS A 127 -10.056 -10.683 -2.180 1.00 0.00 O ATOM 1405 CB LYS A 127 -8.999 -12.218 -0.187 1.00 0.00 C ATOM 1406 CG LYS A 127 -8.601 -12.792 1.163 1.00 0.00 C ATOM 1407 CD LYS A 127 -8.643 -14.312 1.176 1.00 0.00 C ATOM 1408 CE LYS A 127 -8.542 -14.857 2.589 1.00 0.00 C ATOM 1409 NZ LYS A 127 -9.717 -14.476 3.423 1.00 0.00 N ATOM 0 H LYS A 127 -10.131 -14.295 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 127 -11.045 -11.978 0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.449 -12.739 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -8.700 -11.171 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -7.596 -12.456 1.417 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -9.270 -12.405 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.570 -14.656 0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -7.824 -14.705 0.573 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.461 -15.943 2.553 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.630 -14.485 3.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.657 -14.952 4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.723 -13.446 3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.593 -14.764 2.941 1.00 0.00 H new ATOM 1423 N GLU A 128 -12.171 -11.411 -1.954 1.00 0.00 N ATOM 1424 CA GLU A 128 -12.729 -10.513 -2.956 1.00 0.00 C ATOM 1425 C GLU A 128 -12.903 -9.127 -2.337 1.00 0.00 C ATOM 1426 O GLU A 128 -14.024 -8.729 -2.012 1.00 0.00 O ATOM 1427 CB GLU A 128 -14.073 -11.060 -3.433 1.00 0.00 C ATOM 1428 CG GLU A 128 -14.012 -12.521 -3.851 1.00 0.00 C ATOM 1429 CD GLU A 128 -15.359 -13.199 -3.772 1.00 0.00 C ATOM 1430 OE1 GLU A 128 -15.970 -13.205 -2.683 1.00 0.00 O ATOM 1431 OE2 GLU A 128 -15.813 -13.737 -4.805 1.00 0.00 O ATOM 0 H GLU A 128 -12.859 -12.027 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 128 -12.059 -10.439 -3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -14.807 -10.948 -2.635 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -14.423 -10.462 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -13.633 -12.589 -4.871 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -13.304 -13.050 -3.212 1.00 0.00 H new ATOM 1438 N VAL A 129 -11.769 -8.554 -1.915 1.00 0.00 N ATOM 1439 CA VAL A 129 -11.733 -7.379 -1.038 1.00 0.00 C ATOM 1440 C VAL A 129 -11.986 -7.816 0.406 1.00 0.00 C ATOM 1441 O VAL A 129 -11.215 -7.499 1.310 1.00 0.00 O ATOM 1442 CB VAL A 129 -12.746 -6.284 -1.441 1.00 0.00 C ATOM 1443 CG1 VAL A 129 -12.663 -5.099 -0.491 1.00 0.00 C ATOM 1444 CG2 VAL A 129 -12.510 -5.831 -2.876 1.00 0.00 C ATOM 0 H VAL A 129 -10.844 -8.896 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 129 -10.742 -6.936 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 129 -13.747 -6.710 -1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -13.384 -4.340 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -12.887 -5.429 0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -11.658 -4.678 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -13.235 -5.060 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -11.502 -5.428 -2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -12.625 -6.681 -3.549 1.00 0.00 H new ATOM 1454 N SER A 130 -12.980 -8.671 0.569 1.00 0.00 N ATOM 1455 CA SER A 130 -13.270 -9.312 1.836 1.00 0.00 C ATOM 1456 C SER A 130 -14.217 -10.477 1.586 1.00 0.00 C ATOM 1457 O SER A 130 -14.088 -11.513 2.257 1.00 0.00 O ATOM 1458 CB SER A 130 -13.876 -8.310 2.828 1.00 0.00 C ATOM 1459 OG SER A 130 -14.848 -7.486 2.201 1.00 0.00 O ATOM 1460 OXT SER A 130 -15.057 -10.361 0.669 1.00 0.00 O ATOM 0 H SER A 130 -13.614 -8.941 -0.183 1.00 0.00 H new ATOM 0 HA SER A 130 -12.347 -9.685 2.279 1.00 0.00 H new ATOM 0 HB2 SER A 130 -14.334 -8.848 3.658 1.00 0.00 H new ATOM 0 HB3 SER A 130 -13.086 -7.688 3.248 1.00 0.00 H new ATOM 0 HG SER A 130 -15.218 -6.859 2.857 1.00 0.00 H new TER 1466 SER A 130