USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 828 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 66 SER OG : rot 80:sc= -0.456 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -93:sc= 0.0766 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 148:sc= -0.166 (180deg=-0.643) USER MOD Single : A 11 SER OG : rot 19:sc= 0.423 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -131:sc= -0.0865 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= 0.0158 F(o=-1.6,f=0.016) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.17 X(o=-1.2,f=-0.7) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc=-0.00609 K(o=-0.0061,f=-0.76) USER MOD Single : A 68 SER OG : rot -50:sc= 0.193 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.1) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -1.34 F(o=-3.4!,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.053) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -74:sc= -3.07! USER MOD Single : A 92 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.2) USER MOD Single : A 99 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.71) USER MOD Single : A 102 THR OG1 : rot -49:sc= 0.645 USER MOD Single : A 104 SER OG : rot -37:sc= 0.879 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.148 -8.540 9.599 1.00 0.00 N ATOM 2 CA GLY A 1 1.503 -8.007 10.787 1.00 0.00 C ATOM 3 C GLY A 1 -0.013 -7.928 10.599 1.00 0.00 C ATOM 4 O GLY A 1 -0.506 -7.976 9.473 1.00 0.00 O ATOM 0 H1 GLY A 1 2.256 -9.570 9.695 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.565 -8.330 8.764 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.085 -8.103 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.734 -8.638 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.898 -7.015 11.006 1.00 0.00 H new ATOM 8 N SER A 2 -0.710 -7.808 11.719 1.00 0.00 N ATOM 9 CA SER A 2 -2.161 -7.722 11.692 1.00 0.00 C ATOM 10 C SER A 2 -2.705 -7.616 13.118 1.00 0.00 C ATOM 11 O SER A 2 -2.415 -8.462 13.962 1.00 0.00 O ATOM 12 CB SER A 2 -2.771 -8.930 10.979 1.00 0.00 C ATOM 13 OG SER A 2 -3.688 -8.541 9.960 1.00 0.00 O ATOM 0 H SER A 2 -0.298 -7.768 12.651 1.00 0.00 H new ATOM 0 HA SER A 2 -2.441 -6.827 11.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.975 -9.532 10.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.283 -9.560 11.706 1.00 0.00 H new ATOM 0 HG SER A 2 -4.054 -9.340 9.527 1.00 0.00 H new ATOM 19 N SER A 3 -3.485 -6.568 13.343 1.00 0.00 N ATOM 20 CA SER A 3 -4.073 -6.341 14.652 1.00 0.00 C ATOM 21 C SER A 3 -5.599 -6.374 14.554 1.00 0.00 C ATOM 22 O SER A 3 -6.250 -7.179 15.218 1.00 0.00 O ATOM 23 CB SER A 3 -3.608 -5.007 15.240 1.00 0.00 C ATOM 24 OG SER A 3 -3.240 -5.127 16.611 1.00 0.00 O ATOM 0 H SER A 3 -3.723 -5.867 12.641 1.00 0.00 H new ATOM 0 HA SER A 3 -3.741 -7.137 15.318 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.758 -4.635 14.668 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.405 -4.270 15.142 1.00 0.00 H new ATOM 0 HG SER A 3 -2.948 -4.255 16.949 1.00 0.00 H new ATOM 30 N GLY A 4 -6.126 -5.491 13.719 1.00 0.00 N ATOM 31 CA GLY A 4 -7.564 -5.409 13.525 1.00 0.00 C ATOM 32 C GLY A 4 -7.928 -4.235 12.614 1.00 0.00 C ATOM 33 O GLY A 4 -7.706 -3.078 12.968 1.00 0.00 O ATOM 0 H GLY A 4 -5.583 -4.826 13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.929 -6.339 13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.059 -5.293 14.489 1.00 0.00 H new ATOM 37 N SER A 5 -8.482 -4.574 11.459 1.00 0.00 N ATOM 38 CA SER A 5 -8.880 -3.562 10.495 1.00 0.00 C ATOM 39 C SER A 5 -10.380 -3.670 10.212 1.00 0.00 C ATOM 40 O SER A 5 -10.871 -4.735 9.844 1.00 0.00 O ATOM 41 CB SER A 5 -8.084 -3.697 9.195 1.00 0.00 C ATOM 42 OG SER A 5 -6.688 -3.496 9.400 1.00 0.00 O ATOM 0 H SER A 5 -8.665 -5.535 11.169 1.00 0.00 H new ATOM 0 HA SER A 5 -8.667 -2.581 10.920 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.249 -4.687 8.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.452 -2.973 8.468 1.00 0.00 H new ATOM 0 HG SER A 5 -6.215 -3.592 8.547 1.00 0.00 H new ATOM 48 N SER A 6 -11.065 -2.551 10.396 1.00 0.00 N ATOM 49 CA SER A 6 -12.499 -2.506 10.165 1.00 0.00 C ATOM 50 C SER A 6 -12.869 -1.224 9.416 1.00 0.00 C ATOM 51 O SER A 6 -12.407 -0.140 9.768 1.00 0.00 O ATOM 52 CB SER A 6 -13.272 -2.592 11.483 1.00 0.00 C ATOM 53 OG SER A 6 -13.447 -3.939 11.912 1.00 0.00 O ATOM 0 H SER A 6 -10.654 -1.669 10.702 1.00 0.00 H new ATOM 0 HA SER A 6 -12.774 -3.367 9.556 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.740 -2.033 12.253 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.247 -2.120 11.363 1.00 0.00 H new ATOM 0 HG SER A 6 -13.943 -3.951 12.757 1.00 0.00 H new ATOM 59 N GLY A 7 -13.698 -1.391 8.396 1.00 0.00 N ATOM 60 CA GLY A 7 -14.135 -0.260 7.594 1.00 0.00 C ATOM 61 C GLY A 7 -13.278 -0.118 6.335 1.00 0.00 C ATOM 62 O GLY A 7 -13.608 -0.675 5.289 1.00 0.00 O ATOM 0 H GLY A 7 -14.079 -2.292 8.106 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.180 -0.390 7.314 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.075 0.654 8.184 1.00 0.00 H new ATOM 66 N SER A 8 -12.194 0.631 6.476 1.00 0.00 N ATOM 67 CA SER A 8 -11.287 0.853 5.363 1.00 0.00 C ATOM 68 C SER A 8 -10.101 -0.108 5.454 1.00 0.00 C ATOM 69 O SER A 8 -9.641 -0.431 6.549 1.00 0.00 O ATOM 70 CB SER A 8 -10.796 2.302 5.334 1.00 0.00 C ATOM 71 OG SER A 8 -11.870 3.227 5.186 1.00 0.00 O ATOM 0 H SER A 8 -11.924 1.092 7.345 1.00 0.00 H new ATOM 0 HA SER A 8 -11.829 0.663 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.254 2.520 6.255 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.092 2.430 4.512 1.00 0.00 H new ATOM 0 HG SER A 8 -11.516 4.141 5.174 1.00 0.00 H new ATOM 77 N THR A 9 -9.638 -0.539 4.290 1.00 0.00 N ATOM 78 CA THR A 9 -8.514 -1.457 4.224 1.00 0.00 C ATOM 79 C THR A 9 -7.359 -0.948 5.089 1.00 0.00 C ATOM 80 O THR A 9 -6.802 -1.696 5.891 1.00 0.00 O ATOM 81 CB THR A 9 -8.137 -1.639 2.753 1.00 0.00 C ATOM 82 OG1 THR A 9 -9.178 -2.458 2.227 1.00 0.00 O ATOM 83 CG2 THR A 9 -6.873 -2.483 2.572 1.00 0.00 C ATOM 0 H THR A 9 -10.021 -0.269 3.384 1.00 0.00 H new ATOM 0 HA THR A 9 -8.777 -2.434 4.630 1.00 0.00 H new ATOM 0 HB THR A 9 -7.990 -0.662 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.014 -2.625 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.650 -2.581 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.036 -1.998 3.075 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.031 -3.472 3.002 1.00 0.00 H new ATOM 91 N MET A 10 -7.033 0.322 4.896 1.00 0.00 N ATOM 92 CA MET A 10 -5.954 0.940 5.648 1.00 0.00 C ATOM 93 C MET A 10 -6.099 2.463 5.664 1.00 0.00 C ATOM 94 O MET A 10 -6.690 3.043 4.755 1.00 0.00 O ATOM 95 CB MET A 10 -4.611 0.562 5.020 1.00 0.00 C ATOM 96 CG MET A 10 -3.813 -0.358 5.945 1.00 0.00 C ATOM 97 SD MET A 10 -3.311 0.533 7.408 1.00 0.00 S ATOM 98 CE MET A 10 -1.950 -0.490 7.943 1.00 0.00 C ATOM 0 H MET A 10 -7.497 0.940 4.230 1.00 0.00 H new ATOM 0 HA MET A 10 -5.999 0.578 6.675 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.779 0.066 4.064 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.035 1.464 4.814 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.418 -1.220 6.224 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.936 -0.740 5.423 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.199 0.130 8.432 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.313 -1.241 8.645 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.506 -0.985 7.080 1.00 0.00 H new ATOM 108 N SER A 11 -5.551 3.067 6.708 1.00 0.00 N ATOM 109 CA SER A 11 -5.612 4.511 6.855 1.00 0.00 C ATOM 110 C SER A 11 -4.748 4.954 8.037 1.00 0.00 C ATOM 111 O SER A 11 -4.921 4.468 9.154 1.00 0.00 O ATOM 112 CB SER A 11 -7.054 4.985 7.044 1.00 0.00 C ATOM 113 OG SER A 11 -7.565 4.639 8.329 1.00 0.00 O ATOM 0 H SER A 11 -5.062 2.582 7.461 1.00 0.00 H new ATOM 0 HA SER A 11 -5.226 4.964 5.942 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.100 6.066 6.914 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.685 4.544 6.272 1.00 0.00 H new ATOM 0 HG SER A 11 -6.820 4.441 8.935 1.00 0.00 H new ATOM 119 N GLY A 12 -3.836 5.872 7.752 1.00 0.00 N ATOM 120 CA GLY A 12 -2.945 6.385 8.778 1.00 0.00 C ATOM 121 C GLY A 12 -1.872 7.290 8.169 1.00 0.00 C ATOM 122 O GLY A 12 -1.473 7.101 7.021 1.00 0.00 O ATOM 0 H GLY A 12 -3.695 6.274 6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.519 6.943 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.471 5.555 9.302 1.00 0.00 H new ATOM 126 N TYR A 13 -1.435 8.255 8.966 1.00 0.00 N ATOM 127 CA TYR A 13 -0.416 9.190 8.520 1.00 0.00 C ATOM 128 C TYR A 13 0.872 8.456 8.137 1.00 0.00 C ATOM 129 O TYR A 13 1.393 7.662 8.918 1.00 0.00 O ATOM 130 CB TYR A 13 -0.132 10.105 9.712 1.00 0.00 C ATOM 131 CG TYR A 13 -1.316 10.987 10.115 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.843 11.889 9.214 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.857 10.880 11.381 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.957 12.719 9.593 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.971 11.710 11.760 1.00 0.00 C ATOM 136 CZ TYR A 13 -3.466 12.588 10.847 1.00 0.00 C ATOM 137 OH TYR A 13 -4.518 13.372 11.206 1.00 0.00 O ATOM 0 H TYR A 13 -1.768 8.409 9.918 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.757 9.740 7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.159 9.493 10.566 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.719 10.743 9.473 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.420 11.973 8.224 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.445 10.174 12.087 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.379 13.429 8.897 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.404 11.637 12.747 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.777 13.169 12.129 1.00 0.00 H new ATOM 147 N LEU A 14 1.347 8.749 6.936 1.00 0.00 N ATOM 148 CA LEU A 14 2.564 8.128 6.441 1.00 0.00 C ATOM 149 C LEU A 14 3.416 9.181 5.729 1.00 0.00 C ATOM 150 O LEU A 14 2.889 10.029 5.011 1.00 0.00 O ATOM 151 CB LEU A 14 2.229 6.915 5.570 1.00 0.00 C ATOM 152 CG LEU A 14 1.294 5.878 6.194 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.337 5.303 5.148 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.088 4.783 6.908 1.00 0.00 C ATOM 0 H LEU A 14 0.911 9.408 6.291 1.00 0.00 H new ATOM 0 HA LEU A 14 3.160 7.743 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.777 7.271 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.161 6.418 5.300 1.00 0.00 H new ATOM 0 HG LEU A 14 0.685 6.377 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.317 4.568 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.265 6.107 4.725 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.910 4.824 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.399 4.059 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.739 4.280 6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.692 5.228 7.698 1.00 0.00 H new ATOM 166 N TYR A 15 4.719 9.091 5.953 1.00 0.00 N ATOM 167 CA TYR A 15 5.649 10.025 5.341 1.00 0.00 C ATOM 168 C TYR A 15 6.002 9.594 3.917 1.00 0.00 C ATOM 169 O TYR A 15 6.620 8.549 3.716 1.00 0.00 O ATOM 170 CB TYR A 15 6.913 9.985 6.202 1.00 0.00 C ATOM 171 CG TYR A 15 6.804 10.779 7.505 1.00 0.00 C ATOM 172 CD1 TYR A 15 6.463 12.116 7.472 1.00 0.00 C ATOM 173 CD2 TYR A 15 7.047 10.159 8.714 1.00 0.00 C ATOM 174 CE1 TYR A 15 6.361 12.864 8.699 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.944 10.906 9.940 1.00 0.00 C ATOM 176 CZ TYR A 15 6.606 12.222 9.872 1.00 0.00 C ATOM 177 OH TYR A 15 6.510 12.928 11.030 1.00 0.00 O ATOM 0 H TYR A 15 5.152 8.386 6.549 1.00 0.00 H new ATOM 0 HA TYR A 15 5.212 11.022 5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.146 8.947 6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.749 10.374 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.273 12.601 6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.315 9.113 8.740 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.096 13.911 8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.131 10.432 10.892 1.00 0.00 H new ATOM 0 HH TYR A 15 6.711 12.341 11.789 1.00 0.00 H new ATOM 187 N ARG A 16 5.595 10.420 2.964 1.00 0.00 N ATOM 188 CA ARG A 16 5.861 10.137 1.564 1.00 0.00 C ATOM 189 C ARG A 16 7.029 10.989 1.063 1.00 0.00 C ATOM 190 O ARG A 16 7.185 12.137 1.475 1.00 0.00 O ATOM 191 CB ARG A 16 4.628 10.416 0.702 1.00 0.00 C ATOM 192 CG ARG A 16 4.981 10.384 -0.786 1.00 0.00 C ATOM 193 CD ARG A 16 3.729 10.186 -1.643 1.00 0.00 C ATOM 194 NE ARG A 16 3.513 11.369 -2.506 1.00 0.00 N ATOM 195 CZ ARG A 16 2.326 11.715 -3.023 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.242 10.970 -2.768 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.225 12.805 -3.795 1.00 0.00 N ATOM 0 H ARG A 16 5.083 11.286 3.134 1.00 0.00 H new ATOM 0 HA ARG A 16 6.116 9.080 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.857 9.675 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.212 11.390 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.474 11.315 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.689 9.578 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.837 9.292 -2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.861 10.030 -1.002 1.00 0.00 H new ATOM 0 HE ARG A 16 4.318 11.958 -2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.320 10.140 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.338 11.233 -3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.051 13.371 -3.989 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.322 13.069 -4.189 1.00 0.00 H new ATOM 211 N SER A 17 7.819 10.393 0.182 1.00 0.00 N ATOM 212 CA SER A 17 8.967 11.083 -0.380 1.00 0.00 C ATOM 213 C SER A 17 9.113 10.736 -1.863 1.00 0.00 C ATOM 214 O SER A 17 8.420 9.854 -2.368 1.00 0.00 O ATOM 215 CB SER A 17 10.248 10.726 0.377 1.00 0.00 C ATOM 216 OG SER A 17 11.364 11.491 -0.071 1.00 0.00 O ATOM 0 H SER A 17 7.686 9.440 -0.156 1.00 0.00 H new ATOM 0 HA SER A 17 8.804 12.156 -0.279 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.098 10.894 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.461 9.665 0.249 1.00 0.00 H new ATOM 0 HG SER A 17 12.122 10.894 -0.244 1.00 0.00 H new ATOM 222 N LYS A 18 10.019 11.447 -2.518 1.00 0.00 N ATOM 223 CA LYS A 18 10.264 11.224 -3.933 1.00 0.00 C ATOM 224 C LYS A 18 11.524 10.372 -4.100 1.00 0.00 C ATOM 225 O LYS A 18 12.088 10.299 -5.190 1.00 0.00 O ATOM 226 CB LYS A 18 10.320 12.557 -4.683 1.00 0.00 C ATOM 227 CG LYS A 18 8.969 12.883 -5.322 1.00 0.00 C ATOM 228 CD LYS A 18 9.013 12.673 -6.837 1.00 0.00 C ATOM 229 CE LYS A 18 9.404 13.964 -7.559 1.00 0.00 C ATOM 230 NZ LYS A 18 8.900 13.952 -8.950 1.00 0.00 N ATOM 0 H LYS A 18 10.592 12.177 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 18 9.440 10.667 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.603 13.354 -3.995 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.090 12.513 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.195 12.251 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.699 13.916 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.728 11.887 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.038 12.336 -7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.997 14.823 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.489 14.073 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.174 14.835 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.308 13.143 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.863 13.870 -8.943 1.00 0.00 H new ATOM 244 N GLY A 19 11.927 9.748 -3.003 1.00 0.00 N ATOM 245 CA GLY A 19 13.109 8.903 -3.014 1.00 0.00 C ATOM 246 C GLY A 19 14.018 9.216 -1.824 1.00 0.00 C ATOM 247 O GLY A 19 13.571 9.785 -0.830 1.00 0.00 O ATOM 0 H GLY A 19 11.456 9.811 -2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.811 7.855 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.658 9.051 -3.944 1.00 0.00 H new ATOM 251 N SER A 20 15.277 8.829 -1.964 1.00 0.00 N ATOM 252 CA SER A 20 16.253 9.061 -0.913 1.00 0.00 C ATOM 253 C SER A 20 16.856 10.460 -1.059 1.00 0.00 C ATOM 254 O SER A 20 16.941 10.991 -2.165 1.00 0.00 O ATOM 255 CB SER A 20 17.356 8.002 -0.942 1.00 0.00 C ATOM 256 OG SER A 20 16.861 6.706 -0.616 1.00 0.00 O ATOM 0 H SER A 20 15.644 8.356 -2.790 1.00 0.00 H new ATOM 0 HA SER A 20 15.744 8.990 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.810 7.978 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.142 8.278 -0.238 1.00 0.00 H new ATOM 0 HG SER A 20 17.595 6.058 -0.647 1.00 0.00 H new ATOM 262 N LYS A 21 17.260 11.016 0.074 1.00 0.00 N ATOM 263 CA LYS A 21 17.854 12.342 0.087 1.00 0.00 C ATOM 264 C LYS A 21 16.743 13.393 0.026 1.00 0.00 C ATOM 265 O LYS A 21 17.014 14.591 0.091 1.00 0.00 O ATOM 266 CB LYS A 21 18.889 12.477 -1.032 1.00 0.00 C ATOM 267 CG LYS A 21 19.719 11.199 -1.167 1.00 0.00 C ATOM 268 CD LYS A 21 21.130 11.512 -1.669 1.00 0.00 C ATOM 269 CE LYS A 21 22.188 10.917 -0.738 1.00 0.00 C ATOM 270 NZ LYS A 21 23.360 10.455 -1.515 1.00 0.00 N ATOM 0 H LYS A 21 17.188 10.572 0.990 1.00 0.00 H new ATOM 0 HA LYS A 21 18.400 12.506 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.385 12.689 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.546 13.322 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.776 10.695 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 21 19.227 10.513 -1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.259 11.112 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.265 12.592 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.500 11.664 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.762 10.083 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.069 10.054 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.061 9.727 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.775 11.259 -2.028 1.00 0.00 H new ATOM 284 N LYS A 22 15.517 12.906 -0.096 1.00 0.00 N ATOM 285 CA LYS A 22 14.365 13.789 -0.166 1.00 0.00 C ATOM 286 C LYS A 22 13.737 13.911 1.224 1.00 0.00 C ATOM 287 O LYS A 22 13.904 13.028 2.064 1.00 0.00 O ATOM 288 CB LYS A 22 13.388 13.310 -1.242 1.00 0.00 C ATOM 289 CG LYS A 22 13.863 13.723 -2.636 1.00 0.00 C ATOM 290 CD LYS A 22 13.092 14.945 -3.139 1.00 0.00 C ATOM 291 CE LYS A 22 13.981 15.833 -4.013 1.00 0.00 C ATOM 292 NZ LYS A 22 13.275 17.085 -4.366 1.00 0.00 N ATOM 0 H LYS A 22 15.296 11.912 -0.148 1.00 0.00 H new ATOM 0 HA LYS A 22 14.670 14.791 -0.468 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.291 12.225 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.399 13.727 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.929 13.947 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.729 12.893 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.222 14.621 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.720 15.519 -2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.905 16.066 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.260 15.298 -4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.892 17.676 -4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.406 16.858 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.031 17.602 -3.498 1.00 0.00 H new ATOM 306 N PRO A 23 13.010 15.042 1.429 1.00 0.00 N ATOM 307 CA PRO A 23 12.356 15.291 2.703 1.00 0.00 C ATOM 308 C PRO A 23 11.109 14.419 2.859 1.00 0.00 C ATOM 309 O PRO A 23 10.484 14.040 1.869 1.00 0.00 O ATOM 310 CB PRO A 23 12.045 16.779 2.700 1.00 0.00 C ATOM 311 CG PRO A 23 12.112 17.216 1.246 1.00 0.00 C ATOM 312 CD PRO A 23 12.791 16.109 0.457 1.00 0.00 C ATOM 0 HA PRO A 23 12.982 15.030 3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.058 16.973 3.121 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.764 17.329 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.111 17.403 0.857 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.669 18.148 1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.165 15.770 -0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.732 16.450 0.025 1.00 0.00 H new ATOM 320 N TRP A 24 10.784 14.126 4.109 1.00 0.00 N ATOM 321 CA TRP A 24 9.622 13.306 4.408 1.00 0.00 C ATOM 322 C TRP A 24 8.424 14.236 4.603 1.00 0.00 C ATOM 323 O TRP A 24 8.558 15.315 5.178 1.00 0.00 O ATOM 324 CB TRP A 24 9.883 12.405 5.617 1.00 0.00 C ATOM 325 CG TRP A 24 10.918 11.307 5.363 1.00 0.00 C ATOM 326 CD1 TRP A 24 12.177 11.239 5.816 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.729 10.114 4.573 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.811 10.095 5.377 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.903 9.388 4.598 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.603 9.662 3.861 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.064 8.169 3.929 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.781 8.442 3.199 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.956 7.700 3.214 1.00 0.00 C ATOM 0 H TRP A 24 11.305 14.442 4.927 1.00 0.00 H new ATOM 0 HA TRP A 24 9.405 12.629 3.582 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.219 13.021 6.451 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.944 11.942 5.921 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.638 11.986 6.446 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.770 9.819 5.586 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.675 10.213 3.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.993 7.620 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.947 8.049 2.637 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.014 6.765 2.676 1.00 0.00 H new ATOM 344 N LYS A 25 7.278 13.785 4.114 1.00 0.00 N ATOM 345 CA LYS A 25 6.057 14.564 4.228 1.00 0.00 C ATOM 346 C LYS A 25 4.892 13.631 4.568 1.00 0.00 C ATOM 347 O LYS A 25 4.449 12.853 3.725 1.00 0.00 O ATOM 348 CB LYS A 25 5.831 15.394 2.963 1.00 0.00 C ATOM 349 CG LYS A 25 6.581 16.725 3.039 1.00 0.00 C ATOM 350 CD LYS A 25 5.958 17.760 2.100 1.00 0.00 C ATOM 351 CE LYS A 25 6.724 17.832 0.778 1.00 0.00 C ATOM 352 NZ LYS A 25 7.351 19.162 0.614 1.00 0.00 N ATOM 0 H LYS A 25 7.170 12.890 3.638 1.00 0.00 H new ATOM 0 HA LYS A 25 6.139 15.283 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.166 14.833 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.765 15.580 2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.562 17.099 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.627 16.572 2.775 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.917 17.501 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.960 18.739 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.490 17.057 0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.046 17.638 -0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.867 19.194 -0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.614 19.896 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.013 19.333 1.397 1.00 0.00 H new ATOM 366 N HIS A 26 4.430 13.741 5.805 1.00 0.00 N ATOM 367 CA HIS A 26 3.325 12.918 6.266 1.00 0.00 C ATOM 368 C HIS A 26 2.023 13.397 5.622 1.00 0.00 C ATOM 369 O HIS A 26 1.828 14.596 5.425 1.00 0.00 O ATOM 370 CB HIS A 26 3.260 12.903 7.795 1.00 0.00 C ATOM 371 CG HIS A 26 3.196 14.277 8.420 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.106 15.512 7.849 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 3.223 14.480 9.788 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 3.079 16.420 8.816 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 3.152 15.782 10.020 1.00 0.00 N flip ATOM 0 H HIS A 26 4.801 14.387 6.502 1.00 0.00 H new ATOM 0 HA HIS A 26 3.483 11.885 5.956 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.385 12.332 8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.135 12.380 8.181 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.066 15.705 6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.291 13.707 10.540 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.011 17.488 8.674 1.00 0.00 H new ATOM 383 N LEU A 27 1.165 12.436 5.312 1.00 0.00 N ATOM 384 CA LEU A 27 -0.113 12.746 4.694 1.00 0.00 C ATOM 385 C LEU A 27 -1.144 11.694 5.110 1.00 0.00 C ATOM 386 O LEU A 27 -0.788 10.660 5.673 1.00 0.00 O ATOM 387 CB LEU A 27 0.045 12.886 3.178 1.00 0.00 C ATOM 388 CG LEU A 27 0.402 14.283 2.667 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.210 14.202 1.370 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.851 15.147 2.510 1.00 0.00 C ATOM 0 H LEU A 27 1.330 11.443 5.477 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.481 13.710 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.817 12.192 2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.887 12.575 2.705 1.00 0.00 H new ATOM 0 HG LEU A 27 1.035 14.768 3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.451 15.209 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.132 13.649 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.623 13.690 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.569 16.135 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.530 14.678 1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.349 15.245 3.475 1.00 0.00 H new ATOM 402 N TRP A 28 -2.400 11.995 4.817 1.00 0.00 N ATOM 403 CA TRP A 28 -3.485 11.089 5.154 1.00 0.00 C ATOM 404 C TRP A 28 -3.804 10.252 3.914 1.00 0.00 C ATOM 405 O TRP A 28 -4.054 10.797 2.840 1.00 0.00 O ATOM 406 CB TRP A 28 -4.696 11.857 5.685 1.00 0.00 C ATOM 407 CG TRP A 28 -5.830 10.961 6.187 1.00 0.00 C ATOM 408 CD1 TRP A 28 -7.010 10.717 5.602 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.843 10.195 7.411 1.00 0.00 C ATOM 410 NE1 TRP A 28 -7.780 9.854 6.354 1.00 0.00 N ATOM 411 CE2 TRP A 28 -7.047 9.526 7.489 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.869 10.072 8.417 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -7.390 8.687 8.557 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -5.226 9.230 9.477 1.00 0.00 C ATOM 415 CH2 TRP A 28 -6.435 8.549 9.571 1.00 0.00 C ATOM 0 H TRP A 28 -2.691 12.854 4.350 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.190 10.418 5.961 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.373 12.507 6.498 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.079 12.502 4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.320 11.143 4.659 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.715 9.519 6.120 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.920 10.586 8.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.340 8.174 8.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.513 9.100 10.278 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.636 7.916 10.423 1.00 0.00 H new ATOM 426 N PHE A 29 -3.785 8.940 4.103 1.00 0.00 N ATOM 427 CA PHE A 29 -4.069 8.023 3.013 1.00 0.00 C ATOM 428 C PHE A 29 -5.182 7.045 3.396 1.00 0.00 C ATOM 429 O PHE A 29 -5.285 6.637 4.552 1.00 0.00 O ATOM 430 CB PHE A 29 -2.785 7.235 2.745 1.00 0.00 C ATOM 431 CG PHE A 29 -1.643 8.082 2.180 1.00 0.00 C ATOM 432 CD1 PHE A 29 -1.668 8.478 0.879 1.00 0.00 C ATOM 433 CD2 PHE A 29 -0.602 8.439 2.980 1.00 0.00 C ATOM 434 CE1 PHE A 29 -0.607 9.263 0.355 1.00 0.00 C ATOM 435 CE2 PHE A 29 0.458 9.225 2.456 1.00 0.00 C ATOM 436 CZ PHE A 29 0.433 9.621 1.155 1.00 0.00 C ATOM 0 H PHE A 29 -3.577 8.491 4.995 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.396 8.579 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.455 6.771 3.674 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.005 6.428 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.495 8.195 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.582 8.125 4.013 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.626 9.576 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.285 9.509 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.239 10.220 0.757 1.00 0.00 H new ATOM 446 N VAL A 30 -5.988 6.697 2.403 1.00 0.00 N ATOM 447 CA VAL A 30 -7.089 5.775 2.621 1.00 0.00 C ATOM 448 C VAL A 30 -7.225 4.854 1.407 1.00 0.00 C ATOM 449 O VAL A 30 -7.425 5.322 0.287 1.00 0.00 O ATOM 450 CB VAL A 30 -8.371 6.554 2.927 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.604 5.660 2.781 1.00 0.00 C ATOM 452 CG2 VAL A 30 -8.311 7.182 4.320 1.00 0.00 C ATOM 0 H VAL A 30 -5.900 7.037 1.445 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.893 5.144 3.488 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.455 7.361 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.501 6.238 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.660 5.282 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.530 4.822 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -9.234 7.730 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.192 6.398 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.465 7.867 4.374 1.00 0.00 H new ATOM 462 N ILE A 31 -7.111 3.560 1.671 1.00 0.00 N ATOM 463 CA ILE A 31 -7.219 2.569 0.614 1.00 0.00 C ATOM 464 C ILE A 31 -8.684 2.160 0.452 1.00 0.00 C ATOM 465 O ILE A 31 -9.144 1.218 1.095 1.00 0.00 O ATOM 466 CB ILE A 31 -6.278 1.393 0.885 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.817 1.847 0.881 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.527 0.253 -0.104 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.900 0.748 1.421 1.00 0.00 C ATOM 0 H ILE A 31 -6.945 3.176 2.601 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.899 2.991 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.492 1.007 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.517 2.110 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.710 2.746 1.488 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.845 -0.570 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.556 -0.094 -0.008 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.357 0.609 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.867 1.096 1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.187 0.504 2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.991 -0.141 0.797 1.00 0.00 H new ATOM 481 N LYS A 32 -9.377 2.888 -0.412 1.00 0.00 N ATOM 482 CA LYS A 32 -10.780 2.613 -0.667 1.00 0.00 C ATOM 483 C LYS A 32 -10.899 1.371 -1.553 1.00 0.00 C ATOM 484 O LYS A 32 -10.787 1.463 -2.775 1.00 0.00 O ATOM 485 CB LYS A 32 -11.472 3.849 -1.244 1.00 0.00 C ATOM 486 CG LYS A 32 -12.841 3.489 -1.826 1.00 0.00 C ATOM 487 CD LYS A 32 -13.948 4.327 -1.181 1.00 0.00 C ATOM 488 CE LYS A 32 -14.204 3.880 0.260 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.497 3.165 0.359 1.00 0.00 N ATOM 0 H LYS A 32 -8.992 3.668 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.300 2.391 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.591 4.601 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.847 4.291 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.837 3.653 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.041 2.430 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.667 5.380 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.865 4.234 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.396 3.230 0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.210 4.747 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.655 2.869 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.267 3.797 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.478 2.327 -0.256 1.00 0.00 H new ATOM 503 N ASN A 33 -11.124 0.239 -0.903 1.00 0.00 N ATOM 504 CA ASN A 33 -11.260 -1.020 -1.617 1.00 0.00 C ATOM 505 C ASN A 33 -9.916 -1.390 -2.248 1.00 0.00 C ATOM 506 O ASN A 33 -9.199 -2.246 -1.733 1.00 0.00 O ATOM 507 CB ASN A 33 -12.294 -0.908 -2.739 1.00 0.00 C ATOM 508 CG ASN A 33 -13.494 -1.819 -2.470 1.00 0.00 C ATOM 509 OD1 ASN A 33 -14.497 -1.417 -1.905 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.335 -3.066 -2.906 1.00 0.00 N ATOM 0 H ASN A 33 -11.216 0.167 0.110 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.582 -1.779 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.630 0.125 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.835 -1.177 -3.690 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.079 -3.751 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.469 -3.337 -3.372 1.00 0.00 H new ATOM 517 N LYS A 34 -9.616 -0.727 -3.355 1.00 0.00 N ATOM 518 CA LYS A 34 -8.371 -0.975 -4.062 1.00 0.00 C ATOM 519 C LYS A 34 -7.845 0.341 -4.639 1.00 0.00 C ATOM 520 O LYS A 34 -7.000 0.337 -5.533 1.00 0.00 O ATOM 521 CB LYS A 34 -8.560 -2.074 -5.110 1.00 0.00 C ATOM 522 CG LYS A 34 -8.096 -3.429 -4.573 1.00 0.00 C ATOM 523 CD LYS A 34 -8.961 -4.564 -5.126 1.00 0.00 C ATOM 524 CE LYS A 34 -8.230 -5.905 -5.036 1.00 0.00 C ATOM 525 NZ LYS A 34 -9.138 -6.957 -4.529 1.00 0.00 N ATOM 0 H LYS A 34 -10.214 -0.018 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.611 -1.348 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.610 -2.132 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.998 -1.824 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.054 -3.595 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.144 -3.428 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.896 -4.618 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.220 -4.356 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.851 -6.186 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.367 -5.812 -4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.626 -7.861 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.479 -6.694 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.948 -7.057 -5.174 1.00 0.00 H new ATOM 539 N VAL A 35 -8.368 1.435 -4.105 1.00 0.00 N ATOM 540 CA VAL A 35 -7.962 2.755 -4.555 1.00 0.00 C ATOM 541 C VAL A 35 -7.280 3.495 -3.403 1.00 0.00 C ATOM 542 O VAL A 35 -7.778 3.493 -2.278 1.00 0.00 O ATOM 543 CB VAL A 35 -9.168 3.509 -5.119 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.793 4.946 -5.488 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.763 2.773 -6.321 1.00 0.00 C ATOM 0 H VAL A 35 -9.070 1.434 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.237 2.676 -5.365 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.930 3.550 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.668 5.460 -5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.438 5.469 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.005 4.934 -6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.619 3.331 -6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.009 2.685 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.086 1.778 -6.015 1.00 0.00 H new ATOM 555 N LEU A 36 -6.151 4.110 -3.723 1.00 0.00 N ATOM 556 CA LEU A 36 -5.395 4.853 -2.729 1.00 0.00 C ATOM 557 C LEU A 36 -5.694 6.346 -2.877 1.00 0.00 C ATOM 558 O LEU A 36 -5.091 7.024 -3.708 1.00 0.00 O ATOM 559 CB LEU A 36 -3.907 4.511 -2.823 1.00 0.00 C ATOM 560 CG LEU A 36 -3.003 5.156 -1.769 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.582 6.564 -2.196 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.673 5.150 -0.394 1.00 0.00 C ATOM 0 H LEU A 36 -5.741 4.109 -4.657 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.702 4.565 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.798 3.429 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.548 4.805 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.095 4.559 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.941 7.000 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.037 6.511 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.468 7.186 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.010 5.614 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.607 5.709 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.880 4.123 -0.095 1.00 0.00 H new ATOM 574 N TYR A 37 -6.625 6.814 -2.060 1.00 0.00 N ATOM 575 CA TYR A 37 -7.012 8.215 -2.090 1.00 0.00 C ATOM 576 C TYR A 37 -6.099 9.054 -1.193 1.00 0.00 C ATOM 577 O TYR A 37 -5.716 8.618 -0.109 1.00 0.00 O ATOM 578 CB TYR A 37 -8.439 8.270 -1.539 1.00 0.00 C ATOM 579 CG TYR A 37 -9.514 7.893 -2.560 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.908 6.577 -2.692 1.00 0.00 C ATOM 581 CD2 TYR A 37 -10.091 8.868 -3.348 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.920 6.221 -3.653 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.103 8.513 -4.308 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.468 7.207 -4.413 1.00 0.00 C ATOM 585 OH TYR A 37 -12.424 6.871 -5.321 1.00 0.00 O ATOM 0 H TYR A 37 -7.123 6.248 -1.373 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.939 8.612 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.513 7.599 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.638 9.277 -1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.457 5.814 -2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.783 9.898 -3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.236 5.195 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.562 9.267 -4.931 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.726 7.676 -5.791 1.00 0.00 H new ATOM 595 N THR A 38 -5.778 10.244 -1.680 1.00 0.00 N ATOM 596 CA THR A 38 -4.918 11.149 -0.937 1.00 0.00 C ATOM 597 C THR A 38 -5.758 12.135 -0.122 1.00 0.00 C ATOM 598 O THR A 38 -6.872 12.480 -0.515 1.00 0.00 O ATOM 599 CB THR A 38 -3.976 11.830 -1.931 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.193 10.762 -2.455 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.955 12.739 -1.244 1.00 0.00 C ATOM 0 H THR A 38 -6.098 10.602 -2.580 1.00 0.00 H new ATOM 0 HA THR A 38 -4.311 10.609 -0.210 1.00 0.00 H new ATOM 0 HB THR A 38 -4.560 12.414 -2.642 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.555 11.115 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.312 13.197 -1.995 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.477 13.519 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.348 12.150 -0.557 1.00 0.00 H new ATOM 609 N TYR A 39 -5.192 12.561 0.997 1.00 0.00 N ATOM 610 CA TYR A 39 -5.875 13.501 1.871 1.00 0.00 C ATOM 611 C TYR A 39 -4.876 14.419 2.577 1.00 0.00 C ATOM 612 O TYR A 39 -3.691 14.424 2.246 1.00 0.00 O ATOM 613 CB TYR A 39 -6.599 12.653 2.918 1.00 0.00 C ATOM 614 CG TYR A 39 -7.923 12.060 2.432 1.00 0.00 C ATOM 615 CD1 TYR A 39 -9.060 12.842 2.404 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.981 10.744 2.022 1.00 0.00 C ATOM 617 CE1 TYR A 39 -10.307 12.284 1.946 1.00 0.00 C ATOM 618 CE2 TYR A 39 -9.227 10.186 1.564 1.00 0.00 C ATOM 619 CZ TYR A 39 -10.328 10.983 1.549 1.00 0.00 C ATOM 620 OH TYR A 39 -11.505 10.456 1.116 1.00 0.00 O ATOM 0 H TYR A 39 -4.268 12.273 1.319 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.556 14.131 1.299 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.942 11.841 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.789 13.266 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.015 13.872 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.091 10.132 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.204 12.885 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.285 9.157 1.240 1.00 0.00 H new ATOM 0 HH TYR A 39 -11.371 9.519 0.864 1.00 0.00 H new ATOM 630 N ALA A 40 -5.390 15.173 3.538 1.00 0.00 N ATOM 631 CA ALA A 40 -4.557 16.092 4.294 1.00 0.00 C ATOM 632 C ALA A 40 -4.740 15.827 5.789 1.00 0.00 C ATOM 633 O ALA A 40 -3.766 15.792 6.541 1.00 0.00 O ATOM 634 CB ALA A 40 -4.907 17.532 3.910 1.00 0.00 C ATOM 0 H ALA A 40 -6.373 15.166 3.810 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.504 15.938 4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.282 18.222 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.732 17.677 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.956 17.724 4.135 1.00 0.00 H new ATOM 640 N ALA A 41 -5.993 15.647 6.177 1.00 0.00 N ATOM 641 CA ALA A 41 -6.316 15.385 7.570 1.00 0.00 C ATOM 642 C ALA A 41 -7.044 14.044 7.677 1.00 0.00 C ATOM 643 O ALA A 41 -7.387 13.437 6.664 1.00 0.00 O ATOM 644 CB ALA A 41 -7.144 16.544 8.128 1.00 0.00 C ATOM 0 H ALA A 41 -6.798 15.677 5.551 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.408 15.315 8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.387 16.348 9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.571 17.468 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.065 16.642 7.554 1.00 0.00 H new ATOM 650 N SER A 42 -7.257 13.620 8.914 1.00 0.00 N ATOM 651 CA SER A 42 -7.938 12.362 9.167 1.00 0.00 C ATOM 652 C SER A 42 -9.366 12.420 8.622 1.00 0.00 C ATOM 653 O SER A 42 -9.746 11.608 7.780 1.00 0.00 O ATOM 654 CB SER A 42 -7.954 12.035 10.662 1.00 0.00 C ATOM 655 OG SER A 42 -9.030 11.167 11.007 1.00 0.00 O ATOM 0 H SER A 42 -6.970 14.126 9.752 1.00 0.00 H new ATOM 0 HA SER A 42 -7.392 11.570 8.655 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.009 11.570 10.941 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.036 12.959 11.234 1.00 0.00 H new ATOM 0 HG SER A 42 -9.005 10.981 11.969 1.00 0.00 H new ATOM 661 N GLU A 43 -10.118 13.389 9.123 1.00 0.00 N ATOM 662 CA GLU A 43 -11.496 13.564 8.696 1.00 0.00 C ATOM 663 C GLU A 43 -11.608 14.753 7.740 1.00 0.00 C ATOM 664 O GLU A 43 -12.435 15.641 7.942 1.00 0.00 O ATOM 665 CB GLU A 43 -12.424 13.738 9.899 1.00 0.00 C ATOM 666 CG GLU A 43 -12.578 12.424 10.668 1.00 0.00 C ATOM 667 CD GLU A 43 -14.041 11.978 10.704 1.00 0.00 C ATOM 668 OE1 GLU A 43 -14.644 11.921 9.610 1.00 0.00 O ATOM 669 OE2 GLU A 43 -14.523 11.703 11.824 1.00 0.00 O ATOM 0 H GLU A 43 -9.799 14.061 9.821 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.809 12.665 8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.026 14.507 10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.402 14.083 9.562 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.970 11.651 10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.207 12.548 11.685 1.00 0.00 H new ATOM 676 N ASP A 44 -10.764 14.733 6.719 1.00 0.00 N ATOM 677 CA ASP A 44 -10.758 15.798 5.731 1.00 0.00 C ATOM 678 C ASP A 44 -12.173 15.986 5.182 1.00 0.00 C ATOM 679 O ASP A 44 -13.082 15.231 5.525 1.00 0.00 O ATOM 680 CB ASP A 44 -9.837 15.457 4.558 1.00 0.00 C ATOM 681 CG ASP A 44 -9.273 16.664 3.806 1.00 0.00 C ATOM 682 OD1 ASP A 44 -9.987 17.689 3.762 1.00 0.00 O ATOM 683 OD2 ASP A 44 -8.141 16.534 3.292 1.00 0.00 O ATOM 0 H ASP A 44 -10.079 13.995 6.555 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.401 16.706 6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.005 14.859 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.387 14.833 3.853 1.00 0.00 H new ATOM 688 N VAL A 45 -12.317 16.997 4.337 1.00 0.00 N ATOM 689 CA VAL A 45 -13.606 17.293 3.737 1.00 0.00 C ATOM 690 C VAL A 45 -13.624 16.777 2.297 1.00 0.00 C ATOM 691 O VAL A 45 -14.689 16.636 1.697 1.00 0.00 O ATOM 692 CB VAL A 45 -13.898 18.792 3.838 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.807 19.094 5.032 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.601 19.599 3.918 1.00 0.00 C ATOM 0 H VAL A 45 -11.562 17.621 4.054 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.404 16.782 4.276 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.424 19.093 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.999 20.166 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.751 18.561 4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.319 18.770 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.837 20.661 3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.036 19.293 4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.005 19.419 3.024 1.00 0.00 H new ATOM 704 N ALA A 46 -12.433 16.509 1.783 1.00 0.00 N ATOM 705 CA ALA A 46 -12.299 16.011 0.424 1.00 0.00 C ATOM 706 C ALA A 46 -10.871 15.502 0.211 1.00 0.00 C ATOM 707 O ALA A 46 -9.921 16.061 0.756 1.00 0.00 O ATOM 708 CB ALA A 46 -12.677 17.116 -0.564 1.00 0.00 C ATOM 0 H ALA A 46 -11.552 16.627 2.283 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.977 15.175 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.577 16.743 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.708 17.423 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.016 17.971 -0.424 1.00 0.00 H new ATOM 714 N ALA A 47 -10.766 14.447 -0.583 1.00 0.00 N ATOM 715 CA ALA A 47 -9.471 13.856 -0.875 1.00 0.00 C ATOM 716 C ALA A 47 -8.681 14.796 -1.787 1.00 0.00 C ATOM 717 O ALA A 47 -9.247 15.416 -2.686 1.00 0.00 O ATOM 718 CB ALA A 47 -9.669 12.472 -1.496 1.00 0.00 C ATOM 0 H ALA A 47 -11.557 13.986 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.895 13.723 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.697 12.029 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.210 11.834 -0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.241 12.566 -2.419 1.00 0.00 H new ATOM 724 N LEU A 48 -7.384 14.873 -1.523 1.00 0.00 N ATOM 725 CA LEU A 48 -6.510 15.727 -2.309 1.00 0.00 C ATOM 726 C LEU A 48 -6.346 15.132 -3.709 1.00 0.00 C ATOM 727 O LEU A 48 -6.316 15.862 -4.698 1.00 0.00 O ATOM 728 CB LEU A 48 -5.186 15.955 -1.579 1.00 0.00 C ATOM 729 CG LEU A 48 -5.289 16.544 -0.170 1.00 0.00 C ATOM 730 CD1 LEU A 48 -3.901 16.769 0.433 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.128 17.824 -0.171 1.00 0.00 C ATOM 0 H LEU A 48 -6.918 14.358 -0.776 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.954 16.715 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.660 15.002 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.570 16.619 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.803 15.823 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.003 17.188 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.370 15.819 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.339 17.461 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.185 18.222 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.665 18.562 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.132 17.600 -0.530 1.00 0.00 H new ATOM 743 N GLU A 49 -6.244 13.811 -3.747 1.00 0.00 N ATOM 744 CA GLU A 49 -6.083 13.109 -5.009 1.00 0.00 C ATOM 745 C GLU A 49 -6.621 11.682 -4.895 1.00 0.00 C ATOM 746 O GLU A 49 -6.922 11.214 -3.797 1.00 0.00 O ATOM 747 CB GLU A 49 -4.620 13.110 -5.455 1.00 0.00 C ATOM 748 CG GLU A 49 -4.273 14.402 -6.197 1.00 0.00 C ATOM 749 CD GLU A 49 -5.183 14.599 -7.411 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.199 13.683 -8.262 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.841 15.660 -7.461 1.00 0.00 O ATOM 0 H GLU A 49 -6.270 13.209 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.660 13.634 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.971 13.000 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.433 12.253 -6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.373 15.252 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.232 14.372 -6.519 1.00 0.00 H new ATOM 758 N SER A 50 -6.726 11.029 -6.043 1.00 0.00 N ATOM 759 CA SER A 50 -7.222 9.664 -6.085 1.00 0.00 C ATOM 760 C SER A 50 -6.453 8.860 -7.135 1.00 0.00 C ATOM 761 O SER A 50 -6.350 9.276 -8.288 1.00 0.00 O ATOM 762 CB SER A 50 -8.722 9.632 -6.386 1.00 0.00 C ATOM 763 OG SER A 50 -9.158 10.815 -7.051 1.00 0.00 O ATOM 0 H SER A 50 -6.476 11.420 -6.951 1.00 0.00 H new ATOM 0 HA SER A 50 -7.066 9.213 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.949 8.764 -7.004 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.276 9.514 -5.455 1.00 0.00 H new ATOM 0 HG SER A 50 -10.120 10.755 -7.227 1.00 0.00 H new ATOM 769 N GLN A 51 -5.932 7.723 -6.698 1.00 0.00 N ATOM 770 CA GLN A 51 -5.175 6.856 -7.586 1.00 0.00 C ATOM 771 C GLN A 51 -5.425 5.388 -7.235 1.00 0.00 C ATOM 772 O GLN A 51 -5.225 4.976 -6.094 1.00 0.00 O ATOM 773 CB GLN A 51 -3.682 7.187 -7.533 1.00 0.00 C ATOM 774 CG GLN A 51 -3.354 8.387 -8.424 1.00 0.00 C ATOM 775 CD GLN A 51 -3.787 8.131 -9.869 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.510 8.905 -10.474 1.00 0.00 O ATOM 777 NE2 GLN A 51 -3.305 7.004 -10.387 1.00 0.00 N ATOM 0 H GLN A 51 -6.019 7.382 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.515 7.027 -8.607 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.390 7.402 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.102 6.322 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.856 9.276 -8.042 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.283 8.587 -8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.704 6.400 -9.825 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.536 6.744 -11.346 1.00 0.00 H new ATOM 786 N PRO A 52 -5.869 4.619 -8.265 1.00 0.00 N ATOM 787 CA PRO A 52 -6.148 3.205 -8.077 1.00 0.00 C ATOM 788 C PRO A 52 -4.852 2.398 -7.988 1.00 0.00 C ATOM 789 O PRO A 52 -3.849 2.757 -8.603 1.00 0.00 O ATOM 790 CB PRO A 52 -7.012 2.813 -9.264 1.00 0.00 C ATOM 791 CG PRO A 52 -6.800 3.896 -10.310 1.00 0.00 C ATOM 792 CD PRO A 52 -6.118 5.072 -9.630 1.00 0.00 C ATOM 0 HA PRO A 52 -6.666 2.999 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.724 1.835 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.062 2.746 -8.978 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.187 3.521 -11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.753 4.204 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.189 5.337 -10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.752 5.959 -9.643 1.00 0.00 H new ATOM 800 N LEU A 53 -4.914 1.322 -7.216 1.00 0.00 N ATOM 801 CA LEU A 53 -3.758 0.461 -7.039 1.00 0.00 C ATOM 802 C LEU A 53 -3.809 -0.673 -8.065 1.00 0.00 C ATOM 803 O LEU A 53 -3.324 -1.773 -7.804 1.00 0.00 O ATOM 804 CB LEU A 53 -3.668 -0.024 -5.590 1.00 0.00 C ATOM 805 CG LEU A 53 -3.907 1.035 -4.513 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.578 0.423 -3.282 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.606 1.758 -4.156 1.00 0.00 C ATOM 0 H LEU A 53 -5.747 1.028 -6.706 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.838 1.016 -7.223 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.393 -0.826 -5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.680 -0.457 -5.433 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.591 1.782 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.737 1.197 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.538 -0.008 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.938 -0.357 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.804 2.506 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.880 1.037 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.206 2.247 -5.044 1.00 0.00 H new ATOM 819 N LEU A 54 -4.402 -0.366 -9.209 1.00 0.00 N ATOM 820 CA LEU A 54 -4.524 -1.346 -10.275 1.00 0.00 C ATOM 821 C LEU A 54 -3.272 -1.296 -11.154 1.00 0.00 C ATOM 822 O LEU A 54 -3.023 -0.298 -11.829 1.00 0.00 O ATOM 823 CB LEU A 54 -5.827 -1.137 -11.049 1.00 0.00 C ATOM 824 CG LEU A 54 -6.052 -2.062 -12.247 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.598 -1.395 -13.547 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.372 -3.415 -12.030 1.00 0.00 C ATOM 0 H LEU A 54 -4.803 0.547 -9.421 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.584 -2.353 -9.861 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.661 -1.261 -10.358 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.856 -0.106 -11.401 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.122 -2.250 -12.337 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.769 -2.073 -14.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.165 -0.477 -13.703 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.536 -1.158 -13.483 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.547 -4.053 -12.896 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.300 -3.267 -11.900 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.783 -3.890 -11.140 1.00 0.00 H new ATOM 838 N GLY A 55 -2.518 -2.384 -11.116 1.00 0.00 N ATOM 839 CA GLY A 55 -1.298 -2.477 -11.901 1.00 0.00 C ATOM 840 C GLY A 55 -0.077 -2.092 -11.063 1.00 0.00 C ATOM 841 O GLY A 55 1.004 -2.652 -11.241 1.00 0.00 O ATOM 0 H GLY A 55 -2.728 -3.209 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.180 -3.493 -12.277 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.369 -1.822 -12.769 1.00 0.00 H new ATOM 845 N PHE A 56 -0.290 -1.139 -10.167 1.00 0.00 N ATOM 846 CA PHE A 56 0.780 -0.673 -9.301 1.00 0.00 C ATOM 847 C PHE A 56 1.450 -1.844 -8.579 1.00 0.00 C ATOM 848 O PHE A 56 1.062 -2.996 -8.764 1.00 0.00 O ATOM 849 CB PHE A 56 0.144 0.254 -8.264 1.00 0.00 C ATOM 850 CG PHE A 56 -0.171 1.655 -8.791 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.330 1.885 -9.464 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.709 2.672 -8.586 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.622 3.185 -9.953 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.417 3.973 -9.075 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.742 4.202 -9.749 1.00 0.00 C ATOM 0 H PHE A 56 -1.188 -0.677 -10.022 1.00 0.00 H new ATOM 0 HA PHE A 56 1.541 -0.162 -9.891 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.777 -0.202 -7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.815 0.341 -7.410 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.029 1.078 -9.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.630 2.490 -8.051 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.543 3.367 -10.487 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.115 4.781 -8.912 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.964 5.191 -10.122 1.00 0.00 H new ATOM 865 N THR A 57 2.445 -1.508 -7.771 1.00 0.00 N ATOM 866 CA THR A 57 3.172 -2.517 -7.020 1.00 0.00 C ATOM 867 C THR A 57 3.775 -1.907 -5.753 1.00 0.00 C ATOM 868 O THR A 57 3.743 -0.691 -5.569 1.00 0.00 O ATOM 869 CB THR A 57 4.216 -3.137 -7.951 1.00 0.00 C ATOM 870 OG1 THR A 57 3.523 -3.309 -9.184 1.00 0.00 O ATOM 871 CG2 THR A 57 4.598 -4.560 -7.537 1.00 0.00 C ATOM 0 H THR A 57 2.765 -0.551 -7.620 1.00 0.00 H new ATOM 0 HA THR A 57 2.508 -3.310 -6.677 1.00 0.00 H new ATOM 0 HB THR A 57 5.108 -2.511 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.127 -3.705 -9.846 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.341 -4.953 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.013 -4.547 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.712 -5.195 -7.556 1.00 0.00 H new ATOM 879 N VAL A 58 4.309 -2.780 -4.911 1.00 0.00 N ATOM 880 CA VAL A 58 4.918 -2.343 -3.666 1.00 0.00 C ATOM 881 C VAL A 58 6.123 -3.231 -3.354 1.00 0.00 C ATOM 882 O VAL A 58 6.152 -4.401 -3.733 1.00 0.00 O ATOM 883 CB VAL A 58 3.874 -2.336 -2.548 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.452 -2.916 -1.255 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.324 -0.927 -2.319 1.00 0.00 C ATOM 0 H VAL A 58 4.333 -3.788 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 58 5.284 -1.320 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 58 3.045 -2.972 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.690 -2.900 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.772 -3.944 -1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.307 -2.319 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.584 -0.951 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.139 -0.259 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.857 -0.566 -3.235 1.00 0.00 H new ATOM 895 N THR A 59 7.089 -2.641 -2.664 1.00 0.00 N ATOM 896 CA THR A 59 8.295 -3.365 -2.296 1.00 0.00 C ATOM 897 C THR A 59 8.971 -2.698 -1.097 1.00 0.00 C ATOM 898 O THR A 59 8.779 -1.508 -0.854 1.00 0.00 O ATOM 899 CB THR A 59 9.193 -3.447 -3.532 1.00 0.00 C ATOM 900 OG1 THR A 59 9.994 -4.602 -3.303 1.00 0.00 O ATOM 901 CG2 THR A 59 10.203 -2.300 -3.599 1.00 0.00 C ATOM 0 H THR A 59 7.061 -1.671 -2.350 1.00 0.00 H new ATOM 0 HA THR A 59 8.065 -4.381 -1.976 1.00 0.00 H new ATOM 0 HB THR A 59 8.576 -3.440 -4.430 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.605 -4.731 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.815 -2.406 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.672 -1.349 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.843 -2.327 -2.717 1.00 0.00 H new ATOM 909 N LEU A 60 9.749 -3.495 -0.379 1.00 0.00 N ATOM 910 CA LEU A 60 10.455 -2.997 0.789 1.00 0.00 C ATOM 911 C LEU A 60 11.799 -2.409 0.355 1.00 0.00 C ATOM 912 O LEU A 60 12.443 -2.927 -0.556 1.00 0.00 O ATOM 913 CB LEU A 60 10.578 -4.094 1.849 1.00 0.00 C ATOM 914 CG LEU A 60 10.846 -3.619 3.279 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.188 -2.890 3.372 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.690 -2.760 3.796 1.00 0.00 C ATOM 0 H LEU A 60 9.906 -4.482 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 60 9.891 -2.192 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.657 -4.677 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.383 -4.768 1.554 1.00 0.00 H new ATOM 0 HG LEU A 60 10.910 -4.495 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.354 -2.563 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.990 -3.564 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.177 -2.023 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.905 -2.435 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.570 -1.887 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.770 -3.345 3.788 1.00 0.00 H new ATOM 928 N VAL A 61 12.183 -1.334 1.028 1.00 0.00 N ATOM 929 CA VAL A 61 13.439 -0.669 0.723 1.00 0.00 C ATOM 930 C VAL A 61 14.303 -0.618 1.985 1.00 0.00 C ATOM 931 O VAL A 61 13.794 -0.392 3.081 1.00 0.00 O ATOM 932 CB VAL A 61 13.168 0.714 0.128 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.969 1.379 0.808 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.410 1.602 0.216 1.00 0.00 C ATOM 0 H VAL A 61 11.647 -0.907 1.783 1.00 0.00 H new ATOM 0 HA VAL A 61 13.995 -1.228 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 61 12.924 0.583 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.798 2.361 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.083 0.760 0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.171 1.491 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.190 2.579 -0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.698 1.722 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.228 1.139 -0.336 1.00 0.00 H new ATOM 944 N LYS A 62 15.596 -0.832 1.787 1.00 0.00 N ATOM 945 CA LYS A 62 16.535 -0.813 2.895 1.00 0.00 C ATOM 946 C LYS A 62 16.676 0.620 3.414 1.00 0.00 C ATOM 947 O LYS A 62 16.825 0.837 4.615 1.00 0.00 O ATOM 948 CB LYS A 62 17.863 -1.451 2.483 1.00 0.00 C ATOM 949 CG LYS A 62 18.378 -0.849 1.173 1.00 0.00 C ATOM 950 CD LYS A 62 18.476 -1.916 0.081 1.00 0.00 C ATOM 951 CE LYS A 62 19.928 -2.349 -0.133 1.00 0.00 C ATOM 952 NZ LYS A 62 20.076 -3.043 -1.431 1.00 0.00 N ATOM 0 H LYS A 62 16.015 -1.019 0.876 1.00 0.00 H new ATOM 0 HA LYS A 62 16.161 -1.417 3.722 1.00 0.00 H new ATOM 0 HB2 LYS A 62 18.602 -1.303 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 62 17.733 -2.527 2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.710 -0.051 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 62 19.357 -0.399 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 62 17.872 -2.780 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.068 -1.526 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.582 -1.477 -0.103 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.240 -3.009 0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.067 -3.330 -1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.467 -3.886 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 19.798 -2.402 -2.201 1.00 0.00 H new ATOM 966 N ASP A 63 16.625 1.560 2.482 1.00 0.00 N ATOM 967 CA ASP A 63 16.746 2.966 2.830 1.00 0.00 C ATOM 968 C ASP A 63 18.008 3.173 3.670 1.00 0.00 C ATOM 969 O ASP A 63 18.709 2.214 3.989 1.00 0.00 O ATOM 970 CB ASP A 63 15.546 3.433 3.656 1.00 0.00 C ATOM 971 CG ASP A 63 15.285 4.941 3.622 1.00 0.00 C ATOM 972 OD1 ASP A 63 16.040 5.631 2.904 1.00 0.00 O ATOM 973 OD2 ASP A 63 14.337 5.368 4.315 1.00 0.00 O ATOM 0 H ASP A 63 16.502 1.376 1.486 1.00 0.00 H new ATOM 0 HA ASP A 63 16.793 3.540 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.655 2.917 3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.696 3.129 4.692 1.00 0.00 H new ATOM 978 N GLU A 64 18.258 4.430 4.005 1.00 0.00 N ATOM 979 CA GLU A 64 19.423 4.775 4.801 1.00 0.00 C ATOM 980 C GLU A 64 18.999 5.184 6.213 1.00 0.00 C ATOM 981 O GLU A 64 19.821 5.218 7.127 1.00 0.00 O ATOM 982 CB GLU A 64 20.238 5.883 4.131 1.00 0.00 C ATOM 983 CG GLU A 64 19.497 7.220 4.189 1.00 0.00 C ATOM 984 CD GLU A 64 20.363 8.299 4.843 1.00 0.00 C ATOM 985 OE1 GLU A 64 21.462 8.548 4.303 1.00 0.00 O ATOM 986 OE2 GLU A 64 19.906 8.849 5.868 1.00 0.00 O ATOM 0 H GLU A 64 17.673 5.222 3.739 1.00 0.00 H new ATOM 0 HA GLU A 64 20.061 3.894 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 21.205 5.977 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.435 5.617 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.221 7.531 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 64 18.570 7.102 4.751 1.00 0.00 H new ATOM 993 N ASN A 65 17.715 5.486 6.347 1.00 0.00 N ATOM 994 CA ASN A 65 17.172 5.892 7.632 1.00 0.00 C ATOM 995 C ASN A 65 16.697 4.653 8.394 1.00 0.00 C ATOM 996 O ASN A 65 17.110 4.422 9.529 1.00 0.00 O ATOM 997 CB ASN A 65 15.973 6.825 7.452 1.00 0.00 C ATOM 998 CG ASN A 65 15.855 7.798 8.627 1.00 0.00 C ATOM 999 OD1 ASN A 65 16.346 7.558 9.717 1.00 0.00 O ATOM 1000 ND2 ASN A 65 15.178 8.908 8.344 1.00 0.00 N ATOM 0 H ASN A 65 17.036 5.457 5.587 1.00 0.00 H new ATOM 0 HA ASN A 65 17.956 6.414 8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 65 16.078 7.383 6.522 1.00 0.00 H new ATOM 0 HB3 ASN A 65 15.059 6.237 7.369 1.00 0.00 H new ATOM 0 HD21 ASN A 65 15.044 9.621 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 65 14.793 9.046 7.410 1.00 0.00 H new ATOM 1007 N SER A 66 15.835 3.888 7.739 1.00 0.00 N ATOM 1008 CA SER A 66 15.300 2.679 8.341 1.00 0.00 C ATOM 1009 C SER A 66 15.945 1.447 7.703 1.00 0.00 C ATOM 1010 O SER A 66 16.924 1.565 6.967 1.00 0.00 O ATOM 1011 CB SER A 66 13.778 2.618 8.193 1.00 0.00 C ATOM 1012 OG SER A 66 13.114 2.761 9.446 1.00 0.00 O ATOM 0 H SER A 66 15.494 4.082 6.797 1.00 0.00 H new ATOM 0 HA SER A 66 15.535 2.694 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.448 3.406 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.496 1.668 7.739 1.00 0.00 H new ATOM 0 HG SER A 66 13.080 3.709 9.692 1.00 0.00 H new ATOM 1018 N GLU A 67 15.371 0.293 8.009 1.00 0.00 N ATOM 1019 CA GLU A 67 15.878 -0.960 7.475 1.00 0.00 C ATOM 1020 C GLU A 67 14.736 -1.781 6.873 1.00 0.00 C ATOM 1021 O GLU A 67 14.875 -2.343 5.787 1.00 0.00 O ATOM 1022 CB GLU A 67 16.618 -1.756 8.552 1.00 0.00 C ATOM 1023 CG GLU A 67 15.704 -2.045 9.744 1.00 0.00 C ATOM 1024 CD GLU A 67 16.462 -2.786 10.848 1.00 0.00 C ATOM 1025 OE1 GLU A 67 17.469 -2.219 11.324 1.00 0.00 O ATOM 1026 OE2 GLU A 67 16.016 -3.902 11.192 1.00 0.00 O ATOM 0 H GLU A 67 14.560 0.199 8.620 1.00 0.00 H new ATOM 0 HA GLU A 67 16.592 -0.733 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 67 16.981 -2.694 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 67 17.492 -1.197 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.305 -1.110 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.853 -2.643 9.418 1.00 0.00 H new ATOM 1033 N SER A 68 13.632 -1.826 7.605 1.00 0.00 N ATOM 1034 CA SER A 68 12.467 -2.569 7.157 1.00 0.00 C ATOM 1035 C SER A 68 11.189 -1.874 7.631 1.00 0.00 C ATOM 1036 O SER A 68 10.179 -2.529 7.884 1.00 0.00 O ATOM 1037 CB SER A 68 12.506 -4.012 7.664 1.00 0.00 C ATOM 1038 OG SER A 68 11.576 -4.845 6.977 1.00 0.00 O ATOM 0 H SER A 68 13.520 -1.360 8.505 1.00 0.00 H new ATOM 0 HA SER A 68 12.476 -2.595 6.067 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.512 -4.413 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.286 -4.027 8.732 1.00 0.00 H new ATOM 0 HG SER A 68 10.695 -4.416 6.971 1.00 0.00 H new ATOM 1044 N LYS A 69 11.275 -0.556 7.736 1.00 0.00 N ATOM 1045 CA LYS A 69 10.138 0.235 8.175 1.00 0.00 C ATOM 1046 C LYS A 69 9.828 1.302 7.124 1.00 0.00 C ATOM 1047 O LYS A 69 9.258 2.345 7.442 1.00 0.00 O ATOM 1048 CB LYS A 69 10.388 0.803 9.574 1.00 0.00 C ATOM 1049 CG LYS A 69 11.039 -0.242 10.482 1.00 0.00 C ATOM 1050 CD LYS A 69 11.519 0.391 11.790 1.00 0.00 C ATOM 1051 CE LYS A 69 12.606 -0.462 12.445 1.00 0.00 C ATOM 1052 NZ LYS A 69 13.698 0.394 12.960 1.00 0.00 N ATOM 0 H LYS A 69 12.114 -0.016 7.525 1.00 0.00 H new ATOM 0 HA LYS A 69 9.250 -0.391 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.031 1.681 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.445 1.132 10.010 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.325 -1.036 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.881 -0.703 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.905 1.391 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.678 0.503 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.177 -1.044 13.261 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.004 -1.173 11.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.427 -0.202 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.118 0.931 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.317 1.055 13.666 1.00 0.00 H new ATOM 1066 N VAL A 70 10.216 1.005 5.893 1.00 0.00 N ATOM 1067 CA VAL A 70 9.987 1.925 4.792 1.00 0.00 C ATOM 1068 C VAL A 70 9.810 1.131 3.497 1.00 0.00 C ATOM 1069 O VAL A 70 10.510 0.146 3.268 1.00 0.00 O ATOM 1070 CB VAL A 70 11.126 2.945 4.718 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.482 2.246 4.610 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.916 3.917 3.555 1.00 0.00 C ATOM 0 H VAL A 70 10.688 0.139 5.633 1.00 0.00 H new ATOM 0 HA VAL A 70 9.070 2.492 4.952 1.00 0.00 H new ATOM 0 HB VAL A 70 11.120 3.522 5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.274 2.994 4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.636 1.614 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.504 1.632 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.739 4.631 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.883 3.361 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.976 4.452 3.693 1.00 0.00 H new ATOM 1082 N PHE A 71 8.870 1.590 2.683 1.00 0.00 N ATOM 1083 CA PHE A 71 8.593 0.935 1.416 1.00 0.00 C ATOM 1084 C PHE A 71 8.445 1.959 0.290 1.00 0.00 C ATOM 1085 O PHE A 71 8.524 3.164 0.527 1.00 0.00 O ATOM 1086 CB PHE A 71 7.271 0.182 1.582 1.00 0.00 C ATOM 1087 CG PHE A 71 6.169 1.002 2.259 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.260 1.301 3.582 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.100 1.430 1.536 1.00 0.00 C ATOM 1090 CE1 PHE A 71 5.238 2.061 4.210 1.00 0.00 C ATOM 1091 CE2 PHE A 71 4.078 2.190 2.164 1.00 0.00 C ATOM 1092 CZ PHE A 71 4.169 2.489 3.488 1.00 0.00 C ATOM 0 H PHE A 71 8.291 2.407 2.876 1.00 0.00 H new ATOM 0 HA PHE A 71 9.413 0.266 1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.921 -0.138 0.601 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.449 -0.721 2.167 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.110 0.961 4.155 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.028 1.192 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.310 2.299 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.229 2.531 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.391 3.067 3.966 1.00 0.00 H new ATOM 1102 N GLN A 72 8.232 1.443 -0.912 1.00 0.00 N ATOM 1103 CA GLN A 72 8.073 2.298 -2.076 1.00 0.00 C ATOM 1104 C GLN A 72 6.869 1.847 -2.905 1.00 0.00 C ATOM 1105 O GLN A 72 6.573 0.655 -2.979 1.00 0.00 O ATOM 1106 CB GLN A 72 9.347 2.315 -2.923 1.00 0.00 C ATOM 1107 CG GLN A 72 10.458 3.104 -2.227 1.00 0.00 C ATOM 1108 CD GLN A 72 11.699 3.203 -3.116 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.241 4.270 -3.354 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.118 2.034 -3.592 1.00 0.00 N ATOM 0 H GLN A 72 8.166 0.444 -1.105 1.00 0.00 H new ATOM 0 HA GLN A 72 7.892 3.316 -1.732 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.681 1.293 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.135 2.759 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.100 4.104 -1.983 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.718 2.620 -1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.618 1.178 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.939 1.994 -4.195 1.00 0.00 H new ATOM 1119 N LEU A 73 6.207 2.823 -3.509 1.00 0.00 N ATOM 1120 CA LEU A 73 5.042 2.541 -4.330 1.00 0.00 C ATOM 1121 C LEU A 73 5.475 2.395 -5.790 1.00 0.00 C ATOM 1122 O LEU A 73 5.663 3.390 -6.488 1.00 0.00 O ATOM 1123 CB LEU A 73 3.963 3.604 -4.112 1.00 0.00 C ATOM 1124 CG LEU A 73 2.641 3.378 -4.848 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.940 2.115 -4.343 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.740 4.611 -4.749 1.00 0.00 C ATOM 0 H LEU A 73 6.455 3.810 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 73 4.589 1.594 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.755 3.669 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.366 4.570 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 73 2.861 3.224 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.003 1.978 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.584 1.251 -4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.733 2.215 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.807 4.424 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.525 4.821 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.246 5.468 -5.195 1.00 0.00 H new ATOM 1138 N LEU A 74 5.621 1.146 -6.208 1.00 0.00 N ATOM 1139 CA LEU A 74 6.029 0.857 -7.572 1.00 0.00 C ATOM 1140 C LEU A 74 4.811 0.944 -8.494 1.00 0.00 C ATOM 1141 O LEU A 74 3.694 0.633 -8.083 1.00 0.00 O ATOM 1142 CB LEU A 74 6.757 -0.487 -7.640 1.00 0.00 C ATOM 1143 CG LEU A 74 8.237 -0.469 -7.250 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.544 -1.554 -6.215 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.131 -0.586 -8.485 1.00 0.00 C ATOM 0 H LEU A 74 5.464 0.323 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 74 6.746 1.600 -7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.239 -1.192 -6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.674 -0.871 -8.657 1.00 0.00 H new ATOM 0 HG LEU A 74 8.456 0.492 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.602 -1.520 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.945 -1.384 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.304 -2.532 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.177 -0.571 -8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.917 -1.522 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.937 0.251 -9.156 1.00 0.00 H new ATOM 1157 N HIS A 75 5.067 1.367 -9.723 1.00 0.00 N ATOM 1158 CA HIS A 75 4.005 1.499 -10.706 1.00 0.00 C ATOM 1159 C HIS A 75 4.487 0.965 -12.056 1.00 0.00 C ATOM 1160 O HIS A 75 5.327 1.583 -12.708 1.00 0.00 O ATOM 1161 CB HIS A 75 3.511 2.945 -10.782 1.00 0.00 C ATOM 1162 CG HIS A 75 2.656 3.239 -11.991 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.306 3.156 -12.169 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 3.183 3.672 -13.195 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 1.024 3.521 -13.414 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 2.187 3.841 -14.051 1.00 0.00 N flip ATOM 0 H HIS A 75 5.995 1.623 -10.061 1.00 0.00 H new ATOM 0 HA HIS A 75 3.147 0.899 -10.402 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.939 3.171 -9.882 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.373 3.613 -10.788 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.628 2.863 -11.465 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.229 3.843 -13.401 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.037 3.558 -13.850 1.00 0.00 H new ATOM 1174 N LYS A 76 3.934 -0.177 -12.436 1.00 0.00 N ATOM 1175 CA LYS A 76 4.296 -0.802 -13.697 1.00 0.00 C ATOM 1176 C LYS A 76 5.744 -1.289 -13.622 1.00 0.00 C ATOM 1177 O LYS A 76 6.318 -1.698 -14.630 1.00 0.00 O ATOM 1178 CB LYS A 76 4.028 0.152 -14.863 1.00 0.00 C ATOM 1179 CG LYS A 76 2.570 0.066 -15.317 1.00 0.00 C ATOM 1180 CD LYS A 76 2.113 1.384 -15.948 1.00 0.00 C ATOM 1181 CE LYS A 76 2.107 1.287 -17.475 1.00 0.00 C ATOM 1182 NZ LYS A 76 2.402 2.606 -18.078 1.00 0.00 N ATOM 0 H LYS A 76 3.237 -0.686 -11.892 1.00 0.00 H new ATOM 0 HA LYS A 76 3.674 -1.678 -13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.259 1.174 -14.562 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.687 -0.092 -15.696 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.457 -0.744 -16.037 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.934 -0.173 -14.465 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.114 1.635 -15.592 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.775 2.191 -15.634 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.847 0.557 -17.802 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.136 0.932 -17.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.394 2.523 -19.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.680 3.293 -17.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.339 2.930 -17.764 1.00 0.00 H new ATOM 1196 N GLY A 77 6.293 -1.230 -12.417 1.00 0.00 N ATOM 1197 CA GLY A 77 7.663 -1.661 -12.197 1.00 0.00 C ATOM 1198 C GLY A 77 8.555 -0.479 -11.813 1.00 0.00 C ATOM 1199 O GLY A 77 9.641 -0.667 -11.268 1.00 0.00 O ATOM 0 H GLY A 77 5.814 -0.890 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.689 -2.412 -11.408 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.049 -2.134 -13.100 1.00 0.00 H new ATOM 1203 N MET A 78 8.062 0.714 -12.112 1.00 0.00 N ATOM 1204 CA MET A 78 8.801 1.927 -11.804 1.00 0.00 C ATOM 1205 C MET A 78 8.294 2.564 -10.509 1.00 0.00 C ATOM 1206 O MET A 78 7.088 2.693 -10.306 1.00 0.00 O ATOM 1207 CB MET A 78 8.649 2.923 -12.956 1.00 0.00 C ATOM 1208 CG MET A 78 9.093 4.325 -12.531 1.00 0.00 C ATOM 1209 SD MET A 78 10.190 5.016 -13.758 1.00 0.00 S ATOM 1210 CE MET A 78 9.015 5.929 -14.745 1.00 0.00 C ATOM 0 H MET A 78 7.160 0.867 -12.564 1.00 0.00 H new ATOM 0 HA MET A 78 9.851 1.667 -11.672 1.00 0.00 H new ATOM 0 HB2 MET A 78 9.243 2.592 -13.808 1.00 0.00 H new ATOM 0 HB3 MET A 78 7.610 2.950 -13.283 1.00 0.00 H new ATOM 0 HG2 MET A 78 8.222 4.969 -12.406 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.597 4.279 -11.566 1.00 0.00 H new ATOM 0 HE1 MET A 78 9.536 6.426 -15.563 1.00 0.00 H new ATOM 0 HE2 MET A 78 8.271 5.244 -15.152 1.00 0.00 H new ATOM 0 HE3 MET A 78 8.520 6.675 -14.124 1.00 0.00 H new ATOM 1220 N VAL A 79 9.242 2.946 -9.665 1.00 0.00 N ATOM 1221 CA VAL A 79 8.906 3.566 -8.394 1.00 0.00 C ATOM 1222 C VAL A 79 8.077 4.826 -8.650 1.00 0.00 C ATOM 1223 O VAL A 79 8.375 5.595 -9.562 1.00 0.00 O ATOM 1224 CB VAL A 79 10.181 3.841 -7.594 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.887 4.728 -6.383 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.853 2.534 -7.166 1.00 0.00 C ATOM 0 H VAL A 79 10.242 2.838 -9.836 1.00 0.00 H new ATOM 0 HA VAL A 79 8.297 2.894 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 79 10.874 4.377 -8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.810 4.908 -5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.474 5.679 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.167 4.230 -5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.757 2.758 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.167 1.959 -6.543 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.114 1.953 -8.050 1.00 0.00 H new ATOM 1236 N PHE A 80 7.053 4.999 -7.827 1.00 0.00 N ATOM 1237 CA PHE A 80 6.179 6.153 -7.952 1.00 0.00 C ATOM 1238 C PHE A 80 6.396 7.133 -6.798 1.00 0.00 C ATOM 1239 O PHE A 80 6.384 8.347 -6.999 1.00 0.00 O ATOM 1240 CB PHE A 80 4.741 5.632 -7.900 1.00 0.00 C ATOM 1241 CG PHE A 80 3.683 6.696 -8.200 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.811 7.492 -9.295 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.614 6.844 -7.372 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.829 8.479 -9.574 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.632 7.831 -7.651 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.760 8.628 -8.746 1.00 0.00 C ATOM 0 H PHE A 80 6.809 4.359 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 80 6.388 6.679 -8.883 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.635 4.817 -8.615 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.552 5.215 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.660 7.374 -9.953 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.512 6.211 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.931 9.111 -10.444 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.783 7.949 -6.994 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.013 9.379 -8.958 1.00 0.00 H new ATOM 1256 N TYR A 81 6.590 6.570 -5.614 1.00 0.00 N ATOM 1257 CA TYR A 81 6.810 7.380 -4.428 1.00 0.00 C ATOM 1258 C TYR A 81 7.235 6.511 -3.242 1.00 0.00 C ATOM 1259 O TYR A 81 7.123 5.288 -3.293 1.00 0.00 O ATOM 1260 CB TYR A 81 5.464 8.034 -4.109 1.00 0.00 C ATOM 1261 CG TYR A 81 5.221 9.351 -4.850 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.919 10.485 -4.488 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.303 9.403 -5.879 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.689 11.724 -5.186 1.00 0.00 C ATOM 1265 CE2 TYR A 81 4.074 10.642 -6.577 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.778 11.741 -6.196 1.00 0.00 C ATOM 1267 OH TYR A 81 4.562 12.911 -6.854 1.00 0.00 O ATOM 0 H TYR A 81 6.599 5.563 -5.451 1.00 0.00 H new ATOM 0 HA TYR A 81 7.599 8.111 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.665 7.336 -4.358 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.405 8.216 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.637 10.444 -3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.757 8.515 -6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.228 12.619 -4.913 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.359 10.697 -7.385 1.00 0.00 H new ATOM 0 HH TYR A 81 3.887 12.775 -7.551 1.00 0.00 H new ATOM 1277 N VAL A 82 7.715 7.179 -2.203 1.00 0.00 N ATOM 1278 CA VAL A 82 8.158 6.483 -1.007 1.00 0.00 C ATOM 1279 C VAL A 82 7.094 6.623 0.083 1.00 0.00 C ATOM 1280 O VAL A 82 6.239 7.504 0.011 1.00 0.00 O ATOM 1281 CB VAL A 82 9.529 7.006 -0.574 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.139 6.116 0.510 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.471 7.133 -1.773 1.00 0.00 C ATOM 0 H VAL A 82 7.807 8.194 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 82 8.280 5.419 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 82 9.389 8.001 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.113 6.511 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.482 6.099 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.258 5.103 0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.438 7.507 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.601 6.156 -2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.046 7.827 -2.498 1.00 0.00 H new ATOM 1293 N PHE A 83 7.181 5.741 1.068 1.00 0.00 N ATOM 1294 CA PHE A 83 6.236 5.756 2.171 1.00 0.00 C ATOM 1295 C PHE A 83 6.855 5.149 3.432 1.00 0.00 C ATOM 1296 O PHE A 83 7.357 4.026 3.403 1.00 0.00 O ATOM 1297 CB PHE A 83 5.038 4.904 1.746 1.00 0.00 C ATOM 1298 CG PHE A 83 4.142 5.569 0.698 1.00 0.00 C ATOM 1299 CD1 PHE A 83 4.394 5.388 -0.626 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.094 6.342 1.092 1.00 0.00 C ATOM 1301 CE1 PHE A 83 3.563 6.005 -1.598 1.00 0.00 C ATOM 1302 CE2 PHE A 83 2.263 6.959 0.120 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.515 6.778 -1.204 1.00 0.00 C ATOM 0 H PHE A 83 7.892 5.011 1.125 1.00 0.00 H new ATOM 0 HA PHE A 83 5.946 6.782 2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.402 3.956 1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.439 4.672 2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.226 4.775 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 83 2.894 6.486 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.763 5.861 -2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 83 1.431 7.572 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.883 7.248 -1.943 1.00 0.00 H new ATOM 1313 N LYS A 84 6.800 5.918 4.509 1.00 0.00 N ATOM 1314 CA LYS A 84 7.349 5.471 5.777 1.00 0.00 C ATOM 1315 C LYS A 84 6.204 5.128 6.732 1.00 0.00 C ATOM 1316 O LYS A 84 5.192 5.827 6.769 1.00 0.00 O ATOM 1317 CB LYS A 84 8.325 6.509 6.335 1.00 0.00 C ATOM 1318 CG LYS A 84 9.682 5.875 6.646 1.00 0.00 C ATOM 1319 CD LYS A 84 9.779 5.485 8.123 1.00 0.00 C ATOM 1320 CE LYS A 84 11.114 5.934 8.721 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.223 5.497 10.131 1.00 0.00 N ATOM 0 H LYS A 84 6.383 6.849 4.529 1.00 0.00 H new ATOM 0 HA LYS A 84 7.933 4.561 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.454 7.317 5.614 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.911 6.953 7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.827 4.992 6.023 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.480 6.575 6.398 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.957 5.938 8.677 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.675 4.405 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.938 5.518 8.140 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.199 7.019 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.135 5.810 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.448 5.914 10.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.163 4.460 10.179 1.00 0.00 H new ATOM 1335 N ALA A 85 6.401 4.053 7.481 1.00 0.00 N ATOM 1336 CA ALA A 85 5.397 3.610 8.433 1.00 0.00 C ATOM 1337 C ALA A 85 5.879 3.910 9.853 1.00 0.00 C ATOM 1338 O ALA A 85 7.079 4.039 10.091 1.00 0.00 O ATOM 1339 CB ALA A 85 5.110 2.122 8.217 1.00 0.00 C ATOM 0 H ALA A 85 7.241 3.476 7.448 1.00 0.00 H new ATOM 0 HA ALA A 85 4.461 4.148 8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.357 1.789 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.742 1.966 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.026 1.550 8.363 1.00 0.00 H new ATOM 1345 N ASP A 86 4.920 4.013 10.761 1.00 0.00 N ATOM 1346 CA ASP A 86 5.232 4.296 12.151 1.00 0.00 C ATOM 1347 C ASP A 86 6.260 3.281 12.656 1.00 0.00 C ATOM 1348 O ASP A 86 7.355 3.656 13.071 1.00 0.00 O ATOM 1349 CB ASP A 86 3.984 4.181 13.030 1.00 0.00 C ATOM 1350 CG ASP A 86 3.211 5.487 13.228 1.00 0.00 C ATOM 1351 OD1 ASP A 86 3.106 6.241 12.237 1.00 0.00 O ATOM 1352 OD2 ASP A 86 2.743 5.701 14.367 1.00 0.00 O ATOM 0 H ASP A 86 3.926 3.905 10.561 1.00 0.00 H new ATOM 0 HA ASP A 86 5.622 5.312 12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.314 3.443 12.589 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.280 3.800 14.007 1.00 0.00 H new ATOM 1357 N ASP A 87 5.870 2.016 12.603 1.00 0.00 N ATOM 1358 CA ASP A 87 6.744 0.944 13.050 1.00 0.00 C ATOM 1359 C ASP A 87 6.961 -0.043 11.901 1.00 0.00 C ATOM 1360 O ASP A 87 6.473 0.172 10.792 1.00 0.00 O ATOM 1361 CB ASP A 87 6.123 0.179 14.220 1.00 0.00 C ATOM 1362 CG ASP A 87 6.477 0.720 15.607 1.00 0.00 C ATOM 1363 OD1 ASP A 87 7.647 1.125 15.776 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.569 0.716 16.465 1.00 0.00 O ATOM 0 H ASP A 87 4.961 1.709 12.257 1.00 0.00 H new ATOM 0 HA ASP A 87 7.687 1.388 13.370 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.039 0.191 14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.438 -0.863 14.162 1.00 0.00 H new ATOM 1369 N ALA A 88 7.694 -1.104 12.205 1.00 0.00 N ATOM 1370 CA ALA A 88 7.982 -2.124 11.212 1.00 0.00 C ATOM 1371 C ALA A 88 6.697 -2.888 10.885 1.00 0.00 C ATOM 1372 O ALA A 88 6.249 -2.894 9.739 1.00 0.00 O ATOM 1373 CB ALA A 88 9.090 -3.043 11.730 1.00 0.00 C ATOM 0 H ALA A 88 8.097 -1.279 13.125 1.00 0.00 H new ATOM 0 HA ALA A 88 8.340 -1.670 10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.306 -3.808 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.989 -2.457 11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.765 -3.519 12.655 1.00 0.00 H new ATOM 1379 N HIS A 89 6.141 -3.514 11.912 1.00 0.00 N ATOM 1380 CA HIS A 89 4.916 -4.279 11.748 1.00 0.00 C ATOM 1381 C HIS A 89 3.971 -3.538 10.800 1.00 0.00 C ATOM 1382 O HIS A 89 3.324 -4.154 9.955 1.00 0.00 O ATOM 1383 CB HIS A 89 4.279 -4.581 13.105 1.00 0.00 C ATOM 1384 CG HIS A 89 4.427 -6.017 13.547 1.00 0.00 C ATOM 1385 ND1 HIS A 89 3.514 -6.644 14.377 1.00 0.00 N ATOM 1386 CD2 HIS A 89 5.390 -6.942 13.266 1.00 0.00 C ATOM 1387 CE1 HIS A 89 3.920 -7.889 14.580 1.00 0.00 C ATOM 1388 NE2 HIS A 89 5.083 -8.071 13.891 1.00 0.00 N ATOM 0 H HIS A 89 6.516 -3.507 12.861 1.00 0.00 H new ATOM 0 HA HIS A 89 5.143 -5.245 11.296 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.727 -3.932 13.858 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.219 -4.333 13.060 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.256 -6.782 12.640 1.00 0.00 H new ATOM 0 HE1 HIS A 89 3.418 -8.630 15.185 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.627 -8.933 13.861 1.00 0.00 H new ATOM 1396 N SER A 90 3.921 -2.225 10.973 1.00 0.00 N ATOM 1397 CA SER A 90 3.066 -1.393 10.144 1.00 0.00 C ATOM 1398 C SER A 90 3.486 -1.509 8.677 1.00 0.00 C ATOM 1399 O SER A 90 2.670 -1.842 7.819 1.00 0.00 O ATOM 1400 CB SER A 90 3.114 0.068 10.595 1.00 0.00 C ATOM 1401 OG SER A 90 2.225 0.321 11.680 1.00 0.00 O ATOM 0 H SER A 90 4.459 -1.717 11.675 1.00 0.00 H new ATOM 0 HA SER A 90 2.040 -1.745 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.131 0.322 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.856 0.715 9.757 1.00 0.00 H new ATOM 0 HG SER A 90 2.286 1.264 11.940 1.00 0.00 H new ATOM 1407 N THR A 91 4.758 -1.228 8.435 1.00 0.00 N ATOM 1408 CA THR A 91 5.295 -1.297 7.087 1.00 0.00 C ATOM 1409 C THR A 91 4.683 -2.476 6.328 1.00 0.00 C ATOM 1410 O THR A 91 4.138 -2.302 5.239 1.00 0.00 O ATOM 1411 CB THR A 91 6.820 -1.366 7.189 1.00 0.00 C ATOM 1412 OG1 THR A 91 7.201 -0.055 7.598 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.491 -1.540 5.825 1.00 0.00 C ATOM 0 H THR A 91 5.432 -0.952 9.149 1.00 0.00 H new ATOM 0 HA THR A 91 5.033 -0.410 6.511 1.00 0.00 H new ATOM 0 HB THR A 91 7.102 -2.193 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.113 0.562 6.842 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.572 -1.583 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.144 -2.465 5.364 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.236 -0.696 5.184 1.00 0.00 H new ATOM 1421 N GLN A 92 4.793 -3.649 6.933 1.00 0.00 N ATOM 1422 CA GLN A 92 4.258 -4.856 6.328 1.00 0.00 C ATOM 1423 C GLN A 92 2.755 -4.704 6.080 1.00 0.00 C ATOM 1424 O GLN A 92 2.268 -5.006 4.992 1.00 0.00 O ATOM 1425 CB GLN A 92 4.549 -6.081 7.197 1.00 0.00 C ATOM 1426 CG GLN A 92 5.982 -6.574 6.987 1.00 0.00 C ATOM 1427 CD GLN A 92 6.127 -7.279 5.637 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.756 -8.428 5.464 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.687 -6.528 4.692 1.00 0.00 N ATOM 0 H GLN A 92 5.245 -3.789 7.837 1.00 0.00 H new ATOM 0 HA GLN A 92 4.752 -5.007 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.397 -5.831 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.847 -6.879 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.671 -5.731 7.037 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.256 -7.258 7.790 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.975 -5.573 4.904 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.828 -6.908 3.756 1.00 0.00 H new ATOM 1438 N ARG A 93 2.063 -4.237 7.109 1.00 0.00 N ATOM 1439 CA ARG A 93 0.626 -4.042 7.017 1.00 0.00 C ATOM 1440 C ARG A 93 0.283 -3.196 5.789 1.00 0.00 C ATOM 1441 O ARG A 93 -0.594 -3.558 5.006 1.00 0.00 O ATOM 1442 CB ARG A 93 0.083 -3.353 8.270 1.00 0.00 C ATOM 1443 CG ARG A 93 0.163 -4.281 9.484 1.00 0.00 C ATOM 1444 CD ARG A 93 -0.963 -3.984 10.476 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.434 -3.221 11.629 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.201 -2.580 12.522 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -2.535 -2.607 12.401 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -0.633 -1.913 13.536 1.00 0.00 N ATOM 0 H ARG A 93 2.471 -3.988 8.010 1.00 0.00 H new ATOM 0 HA ARG A 93 0.163 -5.025 6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.652 -2.444 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.952 -3.053 8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.100 -5.319 9.157 1.00 0.00 H new ATOM 0 HG3 ARG A 93 1.128 -4.159 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.752 -3.415 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.410 -4.916 10.821 1.00 0.00 H new ATOM 0 HE ARG A 93 0.578 -3.181 11.752 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.967 -3.115 11.629 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.119 -2.119 13.081 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.383 -1.893 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.216 -1.425 14.216 1.00 0.00 H new ATOM 1462 N TRP A 94 0.993 -2.084 5.659 1.00 0.00 N ATOM 1463 CA TRP A 94 0.775 -1.184 4.539 1.00 0.00 C ATOM 1464 C TRP A 94 1.178 -1.916 3.258 1.00 0.00 C ATOM 1465 O TRP A 94 0.415 -1.954 2.294 1.00 0.00 O ATOM 1466 CB TRP A 94 1.529 0.132 4.739 1.00 0.00 C ATOM 1467 CG TRP A 94 0.807 1.133 5.643 1.00 0.00 C ATOM 1468 CD1 TRP A 94 1.104 1.467 6.906 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.352 1.921 5.300 1.00 0.00 C ATOM 1470 NE1 TRP A 94 0.224 2.409 7.400 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.689 2.694 6.392 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.092 1.979 4.105 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.773 3.580 6.399 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.172 2.869 4.129 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.524 3.654 5.220 1.00 0.00 C ATOM 0 H TRP A 94 1.719 -1.786 6.311 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.277 -0.908 4.465 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.509 -0.084 5.164 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.698 0.593 3.766 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.928 1.052 7.467 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.241 2.820 8.333 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.846 1.384 3.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.017 4.174 7.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.774 2.951 3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.373 4.318 5.159 1.00 0.00 H new ATOM 1486 N ILE A 95 2.377 -2.480 3.289 1.00 0.00 N ATOM 1487 CA ILE A 95 2.890 -3.209 2.142 1.00 0.00 C ATOM 1488 C ILE A 95 1.848 -4.230 1.683 1.00 0.00 C ATOM 1489 O ILE A 95 1.298 -4.113 0.589 1.00 0.00 O ATOM 1490 CB ILE A 95 4.254 -3.824 2.465 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.357 -2.765 2.423 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.556 -5.004 1.539 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.575 -3.209 3.236 1.00 0.00 C ATOM 0 H ILE A 95 3.007 -2.447 4.090 1.00 0.00 H new ATOM 0 HA ILE A 95 3.061 -2.531 1.306 1.00 0.00 H new ATOM 0 HB ILE A 95 4.221 -4.213 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.652 -2.583 1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.976 -1.823 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.531 -5.423 1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.790 -5.769 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.563 -4.662 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.344 -2.438 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.282 -3.367 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.968 -4.139 2.825 1.00 0.00 H new ATOM 1505 N ASP A 96 1.607 -5.209 2.543 1.00 0.00 N ATOM 1506 CA ASP A 96 0.640 -6.251 2.240 1.00 0.00 C ATOM 1507 C ASP A 96 -0.691 -5.606 1.849 1.00 0.00 C ATOM 1508 O ASP A 96 -1.375 -6.085 0.946 1.00 0.00 O ATOM 1509 CB ASP A 96 0.393 -7.144 3.457 1.00 0.00 C ATOM 1510 CG ASP A 96 0.549 -8.644 3.201 1.00 0.00 C ATOM 1511 OD1 ASP A 96 1.430 -8.992 2.385 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.216 -9.409 3.826 1.00 0.00 O ATOM 0 H ASP A 96 2.065 -5.303 3.450 1.00 0.00 H new ATOM 0 HA ASP A 96 1.039 -6.855 1.425 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.083 -6.852 4.249 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.615 -6.957 3.827 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.019 -4.529 2.548 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.256 -3.815 2.285 1.00 0.00 C ATOM 1519 C ALA A 97 -2.232 -3.272 0.854 1.00 0.00 C ATOM 1520 O ALA A 97 -3.276 -3.153 0.214 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.437 -2.707 3.325 1.00 0.00 C ATOM 0 H ALA A 97 -0.449 -4.134 3.296 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.111 -4.485 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.365 -2.171 3.128 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.476 -3.146 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.598 -2.013 3.267 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.030 -2.958 0.394 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.857 -2.431 -0.949 1.00 0.00 C ATOM 1529 C PHE A 98 -0.753 -3.563 -1.973 1.00 0.00 C ATOM 1530 O PHE A 98 -1.197 -3.418 -3.111 1.00 0.00 O ATOM 1531 CB PHE A 98 0.450 -1.635 -0.952 1.00 0.00 C ATOM 1532 CG PHE A 98 0.272 -0.146 -0.651 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.401 0.649 -1.526 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.786 0.384 0.491 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.566 2.032 -1.247 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.621 1.766 0.770 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.052 2.561 -0.105 1.00 0.00 C ATOM 0 H PHE A 98 -0.166 -3.058 0.927 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.712 -1.811 -1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.128 -2.066 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.928 -1.744 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.810 0.229 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.320 -0.247 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.100 2.663 -1.942 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.030 2.186 1.677 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.178 3.612 0.108 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.165 -4.665 -1.531 1.00 0.00 N ATOM 1548 CA GLN A 99 0.003 -5.822 -2.395 1.00 0.00 C ATOM 1549 C GLN A 99 -1.353 -6.463 -2.692 1.00 0.00 C ATOM 1550 O GLN A 99 -1.724 -6.630 -3.853 1.00 0.00 O ATOM 1551 CB GLN A 99 0.965 -6.836 -1.773 1.00 0.00 C ATOM 1552 CG GLN A 99 2.384 -6.649 -2.314 1.00 0.00 C ATOM 1553 CD GLN A 99 2.461 -7.032 -3.794 1.00 0.00 C ATOM 1554 OE1 GLN A 99 1.850 -7.985 -4.247 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.245 -6.237 -4.518 1.00 0.00 N ATOM 0 H GLN A 99 0.201 -4.782 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 99 0.439 -5.488 -3.336 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.967 -6.723 -0.689 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.621 -7.848 -1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.692 -5.611 -2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.080 -7.261 -1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.728 -5.456 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.363 -6.409 -5.516 1.00 0.00 H new ATOM 1564 N GLU A 100 -2.057 -6.807 -1.623 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.364 -7.427 -1.754 1.00 0.00 C ATOM 1566 C GLU A 100 -4.192 -6.699 -2.816 1.00 0.00 C ATOM 1567 O GLU A 100 -4.905 -7.332 -3.593 1.00 0.00 O ATOM 1568 CB GLU A 100 -4.096 -7.453 -0.411 1.00 0.00 C ATOM 1569 CG GLU A 100 -4.122 -8.867 0.172 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.518 -9.221 0.690 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.768 -8.942 1.882 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -6.302 -9.763 -0.118 1.00 0.00 O ATOM 0 H GLU A 100 -1.746 -6.668 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.225 -8.460 -2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.605 -6.777 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.116 -7.091 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.821 -9.584 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.399 -8.943 0.984 1.00 0.00 H new ATOM 1579 N GLY A 101 -4.071 -5.380 -2.814 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.799 -4.560 -3.767 1.00 0.00 C ATOM 1581 C GLY A 101 -4.419 -4.922 -5.204 1.00 0.00 C ATOM 1582 O GLY A 101 -5.248 -5.426 -5.961 1.00 0.00 O ATOM 0 H GLY A 101 -3.479 -4.858 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.871 -4.696 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.585 -3.507 -3.585 1.00 0.00 H new ATOM 1586 N THR A 102 -3.166 -4.652 -5.537 1.00 0.00 N ATOM 1587 CA THR A 102 -2.666 -4.942 -6.870 1.00 0.00 C ATOM 1588 C THR A 102 -2.999 -6.383 -7.262 1.00 0.00 C ATOM 1589 O THR A 102 -3.437 -6.640 -8.383 1.00 0.00 O ATOM 1590 CB THR A 102 -1.167 -4.639 -6.890 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.617 -5.542 -5.935 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.842 -3.255 -6.324 1.00 0.00 C ATOM 0 H THR A 102 -2.481 -4.235 -4.906 1.00 0.00 H new ATOM 0 HA THR A 102 -3.149 -4.314 -7.618 1.00 0.00 H new ATOM 0 HB THR A 102 -0.796 -4.709 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.136 -5.497 -5.105 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.235 -3.090 -6.361 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.347 -2.492 -6.917 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.183 -3.196 -5.290 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.780 -7.286 -6.317 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.051 -8.694 -6.549 1.00 0.00 C ATOM 1602 C VAL A 103 -4.538 -8.968 -6.315 1.00 0.00 C ATOM 1603 O VAL A 103 -5.350 -8.043 -6.310 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.139 -9.554 -5.672 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.668 -9.202 -5.900 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.513 -9.419 -4.195 1.00 0.00 C ATOM 0 H VAL A 103 -2.418 -7.069 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.830 -8.960 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.282 -10.596 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.041 -9.828 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.411 -9.374 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.502 -8.153 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.850 -10.040 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.413 -8.378 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.544 -9.742 -4.050 1.00 0.00 H new ATOM 1616 N SER A 104 -4.850 -10.242 -6.126 1.00 0.00 N ATOM 1617 CA SER A 104 -6.225 -10.648 -5.892 1.00 0.00 C ATOM 1618 C SER A 104 -6.309 -11.506 -4.628 1.00 0.00 C ATOM 1619 O SER A 104 -7.326 -12.150 -4.376 1.00 0.00 O ATOM 1620 CB SER A 104 -6.785 -11.416 -7.092 1.00 0.00 C ATOM 1621 OG SER A 104 -8.150 -11.778 -6.904 1.00 0.00 O ATOM 0 H SER A 104 -4.174 -11.006 -6.130 1.00 0.00 H new ATOM 0 HA SER A 104 -6.828 -9.750 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.692 -10.804 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.191 -12.315 -7.257 1.00 0.00 H new ATOM 0 HG SER A 104 -8.297 -12.023 -5.967 1.00 0.00 H new ATOM 1627 N GLY A 105 -5.226 -11.486 -3.865 1.00 0.00 N ATOM 1628 CA GLY A 105 -5.164 -12.254 -2.633 1.00 0.00 C ATOM 1629 C GLY A 105 -4.843 -13.722 -2.917 1.00 0.00 C ATOM 1630 O GLY A 105 -4.347 -14.056 -3.992 1.00 0.00 O ATOM 0 H GLY A 105 -4.384 -10.950 -4.076 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.404 -11.833 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.116 -12.182 -2.107 1.00 0.00 H new ATOM 1634 N PRO A 106 -5.148 -14.583 -1.909 1.00 0.00 N ATOM 1635 CA PRO A 106 -4.897 -16.008 -2.040 1.00 0.00 C ATOM 1636 C PRO A 106 -5.931 -16.664 -2.958 1.00 0.00 C ATOM 1637 O PRO A 106 -6.974 -16.078 -3.243 1.00 0.00 O ATOM 1638 CB PRO A 106 -4.938 -16.547 -0.620 1.00 0.00 C ATOM 1639 CG PRO A 106 -5.666 -15.497 0.204 1.00 0.00 C ATOM 1640 CD PRO A 106 -5.736 -14.223 -0.622 1.00 0.00 C ATOM 0 HA PRO A 106 -3.936 -16.225 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -5.458 -17.504 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.931 -16.715 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.668 -15.841 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -5.141 -15.316 1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -6.765 -13.882 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -5.183 -13.412 -0.147 1.00 0.00 H new ATOM 1648 N SER A 107 -5.604 -17.871 -3.396 1.00 0.00 N ATOM 1649 CA SER A 107 -6.491 -18.613 -4.277 1.00 0.00 C ATOM 1650 C SER A 107 -7.159 -19.753 -3.506 1.00 0.00 C ATOM 1651 O SER A 107 -6.516 -20.753 -3.188 1.00 0.00 O ATOM 1652 CB SER A 107 -5.733 -19.162 -5.487 1.00 0.00 C ATOM 1653 OG SER A 107 -5.418 -18.140 -6.428 1.00 0.00 O ATOM 0 H SER A 107 -4.738 -18.354 -3.158 1.00 0.00 H new ATOM 0 HA SER A 107 -7.259 -17.932 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.814 -19.642 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.334 -19.930 -5.974 1.00 0.00 H new ATOM 0 HG SER A 107 -4.933 -18.530 -7.185 1.00 0.00 H new ATOM 1659 N SER A 108 -8.441 -19.566 -3.228 1.00 0.00 N ATOM 1660 CA SER A 108 -9.203 -20.567 -2.501 1.00 0.00 C ATOM 1661 C SER A 108 -9.826 -21.564 -3.481 1.00 0.00 C ATOM 1662 O SER A 108 -9.584 -22.766 -3.386 1.00 0.00 O ATOM 1663 CB SER A 108 -10.290 -19.916 -1.643 1.00 0.00 C ATOM 1664 OG SER A 108 -9.822 -19.607 -0.333 1.00 0.00 O ATOM 0 H SER A 108 -8.971 -18.736 -3.493 1.00 0.00 H new ATOM 0 HA SER A 108 -8.523 -21.098 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 108 -10.637 -19.004 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.147 -20.586 -1.573 1.00 0.00 H new ATOM 0 HG SER A 108 -10.544 -19.192 0.183 1.00 0.00 H new ATOM 1670 N GLY A 109 -10.617 -21.027 -4.398 1.00 0.00 N ATOM 1671 CA GLY A 109 -11.276 -21.855 -5.394 1.00 0.00 C ATOM 1672 C GLY A 109 -10.311 -22.890 -5.974 1.00 0.00 C ATOM 1673 O GLY A 109 -10.603 -24.085 -5.975 1.00 0.00 O ATOM 0 H GLY A 109 -10.816 -20.029 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.130 -22.361 -4.944 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.665 -21.226 -6.195 1.00 0.00 H new TER 1677 GLY A 109