USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.022) USER MOD Single : A 10 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.022 USER MOD Single : A 28 MET CE :methyl 154:sc= -0.104 (180deg=-0.808) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0541 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 177:sc= -1.14 (180deg=-1.15) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 160:sc= -0.566 USER MOD Single : A 41 SER OG : rot -80:sc= -2.14! USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -160:sc= -1.39 USER MOD Single : A 53 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-2.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.000682 X(o=-0.00068,f=-0.12) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.49 K(o=-2.5,f=-1.2) USER MOD Single : A 65 SER OG : rot 180:sc= -0.0543 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.964 USER MOD Single : A 69 MET CE :methyl 154:sc= -1.96 (180deg=-3.17!) USER MOD Single : A 71 GLN : amide:sc= -2.07! K(o=-2.1!,f=0) USER MOD Single : A 75 ASN : amide:sc= -2.74 K(o=-2.7,f=-5.9!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0762 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.329 K(o=-0.33,f=-2.1!) USER MOD Single : A 90 LYS NZ :NH3+ 164:sc= -0.0195 (180deg=-0.177) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 93 SER OG : rot 26:sc= 0.262 USER MOD Single : A 96 SER OG : rot 32:sc= 0.0471 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.205 -8.260 26.417 1.00 0.00 N ATOM 2 CA GLY A 1 -12.138 -9.066 27.073 1.00 0.00 C ATOM 3 C GLY A 1 -10.890 -8.254 27.360 1.00 0.00 C ATOM 4 O GLY A 1 -10.802 -7.582 28.386 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.036 -8.861 26.242 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.473 -7.469 27.037 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.852 -7.887 25.513 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.521 -9.479 28.006 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.879 -9.910 26.433 1.00 0.00 H new ATOM 10 N SER A 2 -9.924 -8.317 26.450 1.00 0.00 N ATOM 11 CA SER A 2 -8.675 -7.582 26.609 1.00 0.00 C ATOM 12 C SER A 2 -8.859 -6.112 26.247 1.00 0.00 C ATOM 13 O SER A 2 -8.686 -5.721 25.093 1.00 0.00 O ATOM 14 CB SER A 2 -7.579 -8.201 25.740 1.00 0.00 C ATOM 15 OG SER A 2 -6.845 -9.175 26.461 1.00 0.00 O ATOM 0 H SER A 2 -9.982 -8.870 25.595 1.00 0.00 H new ATOM 0 HA SER A 2 -8.377 -7.645 27.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.026 -8.658 24.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.905 -7.420 25.388 1.00 0.00 H new ATOM 0 HG SER A 2 -6.152 -9.557 25.883 1.00 0.00 H new ATOM 21 N SER A 3 -9.209 -5.302 27.240 1.00 0.00 N ATOM 22 CA SER A 3 -9.417 -3.875 27.027 1.00 0.00 C ATOM 23 C SER A 3 -9.079 -3.082 28.285 1.00 0.00 C ATOM 24 O SER A 3 -9.896 -2.972 29.200 1.00 0.00 O ATOM 25 CB SER A 3 -10.865 -3.605 26.612 1.00 0.00 C ATOM 26 OG SER A 3 -10.928 -2.633 25.584 1.00 0.00 O ATOM 0 H SER A 3 -9.355 -5.610 28.201 1.00 0.00 H new ATOM 0 HA SER A 3 -8.751 -3.552 26.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.327 -4.531 26.270 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.436 -3.263 27.475 1.00 0.00 H new ATOM 0 HG SER A 3 -11.864 -2.480 25.336 1.00 0.00 H new ATOM 32 N GLY A 4 -7.870 -2.533 28.326 1.00 0.00 N ATOM 33 CA GLY A 4 -7.446 -1.758 29.477 1.00 0.00 C ATOM 34 C GLY A 4 -6.198 -0.942 29.199 1.00 0.00 C ATOM 35 O GLY A 4 -6.109 0.221 29.592 1.00 0.00 O ATOM 0 H GLY A 4 -7.176 -2.611 27.583 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.253 -1.090 29.779 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.258 -2.430 30.314 1.00 0.00 H new ATOM 39 N SER A 5 -5.234 -1.553 28.519 1.00 0.00 N ATOM 40 CA SER A 5 -3.985 -0.877 28.190 1.00 0.00 C ATOM 41 C SER A 5 -3.600 -1.126 26.735 1.00 0.00 C ATOM 42 O SER A 5 -3.549 -2.270 26.283 1.00 0.00 O ATOM 43 CB SER A 5 -2.864 -1.352 29.115 1.00 0.00 C ATOM 44 OG SER A 5 -3.298 -1.394 30.463 1.00 0.00 O ATOM 0 H SER A 5 -5.294 -2.515 28.185 1.00 0.00 H new ATOM 0 HA SER A 5 -4.132 0.194 28.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.529 -2.342 28.807 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.007 -0.684 29.026 1.00 0.00 H new ATOM 0 HG SER A 5 -2.563 -1.702 31.034 1.00 0.00 H new ATOM 50 N SER A 6 -3.328 -0.047 26.007 1.00 0.00 N ATOM 51 CA SER A 6 -2.946 -0.149 24.603 1.00 0.00 C ATOM 52 C SER A 6 -1.610 0.543 24.351 1.00 0.00 C ATOM 53 O SER A 6 -1.507 1.766 24.439 1.00 0.00 O ATOM 54 CB SER A 6 -4.028 0.467 23.713 1.00 0.00 C ATOM 55 OG SER A 6 -4.189 -0.275 22.518 1.00 0.00 O ATOM 0 H SER A 6 -3.365 0.907 26.366 1.00 0.00 H new ATOM 0 HA SER A 6 -2.840 -1.205 24.357 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.973 0.500 24.254 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.763 1.496 23.472 1.00 0.00 H new ATOM 0 HG SER A 6 -4.887 0.138 21.968 1.00 0.00 H new ATOM 61 N GLY A 7 -0.589 -0.250 24.038 1.00 0.00 N ATOM 62 CA GLY A 7 0.727 0.303 23.778 1.00 0.00 C ATOM 63 C GLY A 7 1.321 -0.200 22.478 1.00 0.00 C ATOM 64 O GLY A 7 2.261 -0.994 22.484 1.00 0.00 O ATOM 0 H GLY A 7 -0.650 -1.265 23.960 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.661 1.391 23.747 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.394 0.048 24.601 1.00 0.00 H new ATOM 68 N LEU A 8 0.771 0.263 21.360 1.00 0.00 N ATOM 69 CA LEU A 8 1.253 -0.144 20.045 1.00 0.00 C ATOM 70 C LEU A 8 1.239 1.030 19.074 1.00 0.00 C ATOM 71 O LEU A 8 2.289 1.482 18.616 1.00 0.00 O ATOM 72 CB LEU A 8 0.393 -1.285 19.495 1.00 0.00 C ATOM 73 CG LEU A 8 1.077 -2.163 18.446 1.00 0.00 C ATOM 74 CD1 LEU A 8 1.727 -3.371 19.104 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.079 -2.604 17.386 1.00 0.00 C ATOM 0 H LEU A 8 -0.009 0.920 21.338 1.00 0.00 H new ATOM 0 HA LEU A 8 2.281 -0.491 20.153 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.079 -1.916 20.326 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.511 -0.860 19.058 1.00 0.00 H new ATOM 0 HG LEU A 8 1.856 -1.575 17.960 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.209 -3.985 18.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.472 -3.035 19.825 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.966 -3.960 19.616 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.584 -3.228 16.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.723 -3.174 17.856 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.340 -1.727 16.893 1.00 0.00 H new ATOM 87 N GLN A 9 0.044 1.522 18.764 1.00 0.00 N ATOM 88 CA GLN A 9 -0.106 2.645 17.846 1.00 0.00 C ATOM 89 C GLN A 9 -0.814 3.812 18.527 1.00 0.00 C ATOM 90 O GLN A 9 -1.620 3.616 19.437 1.00 0.00 O ATOM 91 CB GLN A 9 -0.889 2.215 16.604 1.00 0.00 C ATOM 92 CG GLN A 9 -0.213 1.107 15.812 1.00 0.00 C ATOM 93 CD GLN A 9 -0.255 1.348 14.317 1.00 0.00 C ATOM 94 OE1 GLN A 9 -0.735 0.509 13.554 1.00 0.00 O ATOM 95 NE2 GLN A 9 0.249 2.500 13.889 1.00 0.00 N ATOM 0 H GLN A 9 -0.835 1.161 19.135 1.00 0.00 H new ATOM 0 HA GLN A 9 0.889 2.971 17.545 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -1.881 1.880 16.908 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.029 3.080 15.956 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.825 1.018 16.133 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.698 0.157 16.037 1.00 0.00 H new ATOM 0 HE21 GLN A 9 0.637 3.166 14.557 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.248 2.718 12.893 1.00 0.00 H new ATOM 104 N GLN A 10 -0.508 5.025 18.080 1.00 0.00 N ATOM 105 CA GLN A 10 -1.114 6.224 18.647 1.00 0.00 C ATOM 106 C GLN A 10 -1.170 7.346 17.615 1.00 0.00 C ATOM 107 O GLN A 10 -0.152 7.961 17.297 1.00 0.00 O ATOM 108 CB GLN A 10 -0.331 6.685 19.877 1.00 0.00 C ATOM 109 CG GLN A 10 -0.826 6.074 21.178 1.00 0.00 C ATOM 110 CD GLN A 10 0.300 5.517 22.029 1.00 0.00 C ATOM 111 OE1 GLN A 10 0.608 6.049 23.095 1.00 0.00 O ATOM 112 NE2 GLN A 10 0.921 4.442 21.558 1.00 0.00 N ATOM 0 H GLN A 10 0.156 5.204 17.327 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.133 5.978 18.946 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.721 6.432 19.744 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.391 7.771 19.949 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.366 6.830 21.747 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.535 5.277 20.954 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.632 4.034 20.669 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.687 4.024 22.085 1.00 0.00 H new ATOM 121 N GLN A 11 -2.366 7.605 17.095 1.00 0.00 N ATOM 122 CA GLN A 11 -2.553 8.653 16.098 1.00 0.00 C ATOM 123 C GLN A 11 -1.721 8.374 14.851 1.00 0.00 C ATOM 124 O GLN A 11 -1.025 7.361 14.771 1.00 0.00 O ATOM 125 CB GLN A 11 -2.176 10.015 16.683 1.00 0.00 C ATOM 126 CG GLN A 11 -3.238 10.599 17.601 1.00 0.00 C ATOM 127 CD GLN A 11 -2.676 11.047 18.936 1.00 0.00 C ATOM 128 OE1 GLN A 11 -2.084 12.121 19.044 1.00 0.00 O ATOM 129 NE2 GLN A 11 -2.859 10.223 19.960 1.00 0.00 N ATOM 0 H GLN A 11 -3.218 7.105 17.347 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.605 8.666 15.814 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.243 9.917 17.237 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.990 10.713 15.867 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.712 11.448 17.108 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.015 9.854 17.770 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.356 9.343 19.824 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.503 10.470 20.883 1.00 0.00 H new ATOM 138 N GLU A 12 -1.796 9.278 13.881 1.00 0.00 N ATOM 139 CA GLU A 12 -1.050 9.128 12.637 1.00 0.00 C ATOM 140 C GLU A 12 -0.376 10.438 12.245 1.00 0.00 C ATOM 141 O GLU A 12 -1.035 11.375 11.793 1.00 0.00 O ATOM 142 CB GLU A 12 -1.977 8.661 11.514 1.00 0.00 C ATOM 143 CG GLU A 12 -2.799 7.434 11.874 1.00 0.00 C ATOM 144 CD GLU A 12 -3.023 6.514 10.690 1.00 0.00 C ATOM 145 OE1 GLU A 12 -3.842 6.862 9.813 1.00 0.00 O ATOM 146 OE2 GLU A 12 -2.378 5.445 10.638 1.00 0.00 O ATOM 0 H GLU A 12 -2.366 10.122 13.932 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.277 8.376 12.795 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.652 9.475 11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.380 8.441 10.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.294 6.883 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.764 7.751 12.271 1.00 0.00 H new ATOM 153 N GLU A 13 0.939 10.498 12.421 1.00 0.00 N ATOM 154 CA GLU A 13 1.703 11.695 12.087 1.00 0.00 C ATOM 155 C GLU A 13 2.113 11.685 10.618 1.00 0.00 C ATOM 156 O GLU A 13 2.100 10.640 9.966 1.00 0.00 O ATOM 157 CB GLU A 13 2.943 11.799 12.975 1.00 0.00 C ATOM 158 CG GLU A 13 2.662 12.397 14.344 1.00 0.00 C ATOM 159 CD GLU A 13 2.742 11.371 15.458 1.00 0.00 C ATOM 160 OE1 GLU A 13 2.562 10.169 15.171 1.00 0.00 O ATOM 161 OE2 GLU A 13 2.985 11.770 16.616 1.00 0.00 O ATOM 0 H GLU A 13 1.499 9.731 12.793 1.00 0.00 H new ATOM 0 HA GLU A 13 1.067 12.563 12.262 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.373 10.805 13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.692 12.407 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.376 13.197 14.540 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.670 12.849 14.342 1.00 0.00 H new ATOM 168 N GLU A 14 2.478 12.855 10.103 1.00 0.00 N ATOM 169 CA GLU A 14 2.893 12.981 8.711 1.00 0.00 C ATOM 170 C GLU A 14 1.768 12.567 7.768 1.00 0.00 C ATOM 171 O GLU A 14 0.851 11.845 8.158 1.00 0.00 O ATOM 172 CB GLU A 14 4.134 12.127 8.447 1.00 0.00 C ATOM 173 CG GLU A 14 4.889 12.524 7.189 1.00 0.00 C ATOM 174 CD GLU A 14 6.393 12.460 7.368 1.00 0.00 C ATOM 175 OE1 GLU A 14 6.864 11.601 8.141 1.00 0.00 O ATOM 176 OE2 GLU A 14 7.101 13.272 6.733 1.00 0.00 O ATOM 0 H GLU A 14 2.495 13.729 10.629 1.00 0.00 H new ATOM 0 HA GLU A 14 3.134 14.027 8.524 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.805 12.202 9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.835 11.082 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.596 11.866 6.371 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.604 13.536 6.902 1.00 0.00 H new ATOM 183 N THR A 15 1.845 13.030 6.525 1.00 0.00 N ATOM 184 CA THR A 15 0.834 12.709 5.525 1.00 0.00 C ATOM 185 C THR A 15 1.391 11.757 4.471 1.00 0.00 C ATOM 186 O THR A 15 0.658 10.953 3.896 1.00 0.00 O ATOM 187 CB THR A 15 0.324 13.987 4.855 1.00 0.00 C ATOM 188 OG1 THR A 15 1.371 14.931 4.715 1.00 0.00 O ATOM 189 CG2 THR A 15 -0.798 14.656 5.619 1.00 0.00 C ATOM 0 H THR A 15 2.598 13.629 6.186 1.00 0.00 H new ATOM 0 HA THR A 15 0.004 12.216 6.031 1.00 0.00 H new ATOM 0 HB THR A 15 -0.057 13.672 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.026 15.740 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.113 15.555 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.641 13.970 5.702 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.449 14.925 6.616 1.00 0.00 H new ATOM 197 N TYR A 16 2.694 11.853 4.224 1.00 0.00 N ATOM 198 CA TYR A 16 3.351 11.001 3.239 1.00 0.00 C ATOM 199 C TYR A 16 2.787 11.245 1.844 1.00 0.00 C ATOM 200 O TYR A 16 1.814 10.610 1.437 1.00 0.00 O ATOM 201 CB TYR A 16 3.186 9.527 3.617 1.00 0.00 C ATOM 202 CG TYR A 16 3.559 9.223 5.051 1.00 0.00 C ATOM 203 CD1 TYR A 16 4.867 8.905 5.396 1.00 0.00 C ATOM 204 CD2 TYR A 16 2.603 9.254 6.059 1.00 0.00 C ATOM 205 CE1 TYR A 16 5.211 8.626 6.706 1.00 0.00 C ATOM 206 CE2 TYR A 16 2.940 8.977 7.370 1.00 0.00 C ATOM 207 CZ TYR A 16 4.244 8.664 7.689 1.00 0.00 C ATOM 208 OH TYR A 16 4.582 8.387 8.992 1.00 0.00 O ATOM 0 H TYR A 16 3.315 12.512 4.692 1.00 0.00 H new ATOM 0 HA TYR A 16 4.412 11.251 3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.150 9.232 3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.802 8.920 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.627 8.875 4.629 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.580 9.499 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.232 8.380 6.958 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.185 9.006 8.142 1.00 0.00 H new ATOM 0 HH TYR A 16 3.786 8.458 9.559 1.00 0.00 H new ATOM 218 N ALA A 17 3.405 12.169 1.114 1.00 0.00 N ATOM 219 CA ALA A 17 2.965 12.497 -0.235 1.00 0.00 C ATOM 220 C ALA A 17 3.951 11.976 -1.274 1.00 0.00 C ATOM 221 O ALA A 17 3.564 11.606 -2.383 1.00 0.00 O ATOM 222 CB ALA A 17 2.785 14.001 -0.382 1.00 0.00 C ATOM 0 H ALA A 17 4.212 12.703 1.436 1.00 0.00 H new ATOM 0 HA ALA A 17 2.005 12.010 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.456 14.231 -1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.037 14.349 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.733 14.502 -0.186 1.00 0.00 H new ATOM 228 N ASP A 18 5.229 11.950 -0.907 1.00 0.00 N ATOM 229 CA ASP A 18 6.274 11.474 -1.807 1.00 0.00 C ATOM 230 C ASP A 18 6.144 9.974 -2.051 1.00 0.00 C ATOM 231 O ASP A 18 6.589 9.462 -3.077 1.00 0.00 O ATOM 232 CB ASP A 18 7.654 11.793 -1.230 1.00 0.00 C ATOM 233 CG ASP A 18 8.221 13.092 -1.769 1.00 0.00 C ATOM 234 OD1 ASP A 18 7.717 14.167 -1.379 1.00 0.00 O ATOM 235 OD2 ASP A 18 9.167 13.035 -2.583 1.00 0.00 O ATOM 0 H ASP A 18 5.566 12.253 0.007 1.00 0.00 H new ATOM 0 HA ASP A 18 6.159 11.987 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.585 11.853 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.339 10.977 -1.462 1.00 0.00 H new ATOM 240 N ALA A 19 5.532 9.271 -1.100 1.00 0.00 N ATOM 241 CA ALA A 19 5.346 7.828 -1.213 1.00 0.00 C ATOM 242 C ALA A 19 4.632 7.464 -2.511 1.00 0.00 C ATOM 243 O ALA A 19 4.126 8.336 -3.218 1.00 0.00 O ATOM 244 CB ALA A 19 4.569 7.303 -0.016 1.00 0.00 C ATOM 0 H ALA A 19 5.157 9.678 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 19 6.330 7.360 -1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.437 6.225 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.120 7.521 0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.593 7.786 0.024 1.00 0.00 H new ATOM 250 N CYS A 20 4.597 6.172 -2.818 1.00 0.00 N ATOM 251 CA CYS A 20 3.946 5.692 -4.033 1.00 0.00 C ATOM 252 C CYS A 20 2.635 4.986 -3.706 1.00 0.00 C ATOM 253 O CYS A 20 2.278 4.823 -2.538 1.00 0.00 O ATOM 254 CB CYS A 20 4.875 4.745 -4.794 1.00 0.00 C ATOM 255 SG CYS A 20 4.775 4.899 -6.592 1.00 0.00 S ATOM 0 H CYS A 20 5.011 5.438 -2.243 1.00 0.00 H new ATOM 0 HA CYS A 20 3.725 6.554 -4.662 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.902 4.932 -4.481 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.638 3.718 -4.514 1.00 0.00 H new ATOM 0 HG CYS A 20 5.599 4.059 -7.146 1.00 0.00 H new ATOM 261 N ASP A 21 1.920 4.567 -4.746 1.00 0.00 N ATOM 262 CA ASP A 21 0.647 3.877 -4.572 1.00 0.00 C ATOM 263 C ASP A 21 0.829 2.580 -3.790 1.00 0.00 C ATOM 264 O ASP A 21 -0.083 2.129 -3.097 1.00 0.00 O ATOM 265 CB ASP A 21 0.016 3.581 -5.934 1.00 0.00 C ATOM 266 CG ASP A 21 -0.898 4.696 -6.403 1.00 0.00 C ATOM 267 OD1 ASP A 21 -1.496 5.375 -5.541 1.00 0.00 O ATOM 268 OD2 ASP A 21 -1.015 4.891 -7.631 1.00 0.00 O ATOM 0 H ASP A 21 2.201 4.694 -5.718 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.016 4.529 -4.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.804 3.427 -6.671 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.550 2.652 -5.875 1.00 0.00 H new ATOM 273 N GLU A 22 2.011 1.982 -3.908 1.00 0.00 N ATOM 274 CA GLU A 22 2.309 0.736 -3.212 1.00 0.00 C ATOM 275 C GLU A 22 2.146 0.898 -1.704 1.00 0.00 C ATOM 276 O GLU A 22 1.660 -0.003 -1.022 1.00 0.00 O ATOM 277 CB GLU A 22 3.732 0.273 -3.539 1.00 0.00 C ATOM 278 CG GLU A 22 3.814 -1.181 -3.978 1.00 0.00 C ATOM 279 CD GLU A 22 4.050 -1.329 -5.468 1.00 0.00 C ATOM 280 OE1 GLU A 22 4.762 -0.478 -6.043 1.00 0.00 O ATOM 281 OE2 GLU A 22 3.524 -2.295 -6.060 1.00 0.00 O ATOM 0 H GLU A 22 2.777 2.340 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 22 1.601 -0.019 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.138 0.905 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.362 0.415 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.620 -1.675 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.889 -1.691 -3.708 1.00 0.00 H new ATOM 288 N PHE A 23 2.554 2.053 -1.189 1.00 0.00 N ATOM 289 CA PHE A 23 2.453 2.333 0.238 1.00 0.00 C ATOM 290 C PHE A 23 1.170 3.098 0.551 1.00 0.00 C ATOM 291 O PHE A 23 0.593 2.947 1.628 1.00 0.00 O ATOM 292 CB PHE A 23 3.666 3.135 0.712 1.00 0.00 C ATOM 293 CG PHE A 23 4.975 2.624 0.179 1.00 0.00 C ATOM 294 CD1 PHE A 23 5.236 1.264 0.131 1.00 0.00 C ATOM 295 CD2 PHE A 23 5.943 3.505 -0.276 1.00 0.00 C ATOM 296 CE1 PHE A 23 6.439 0.792 -0.358 1.00 0.00 C ATOM 297 CE2 PHE A 23 7.148 3.039 -0.766 1.00 0.00 C ATOM 298 CZ PHE A 23 7.397 1.681 -0.807 1.00 0.00 C ATOM 0 H PHE A 23 2.958 2.811 -1.739 1.00 0.00 H new ATOM 0 HA PHE A 23 2.428 1.381 0.768 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.543 4.175 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.697 3.120 1.801 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.490 0.565 0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.753 4.568 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.630 -0.270 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.895 3.736 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 23 8.338 1.315 -1.189 1.00 0.00 H new ATOM 308 N LEU A 24 0.729 3.918 -0.397 1.00 0.00 N ATOM 309 CA LEU A 24 -0.484 4.706 -0.223 1.00 0.00 C ATOM 310 C LEU A 24 -1.726 3.849 -0.442 1.00 0.00 C ATOM 311 O LEU A 24 -1.737 2.958 -1.292 1.00 0.00 O ATOM 312 CB LEU A 24 -0.492 5.891 -1.191 1.00 0.00 C ATOM 313 CG LEU A 24 0.420 7.054 -0.797 1.00 0.00 C ATOM 314 CD1 LEU A 24 0.744 7.911 -2.011 1.00 0.00 C ATOM 315 CD2 LEU A 24 -0.232 7.896 0.292 1.00 0.00 C ATOM 0 H LEU A 24 1.195 4.054 -1.294 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.499 5.081 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.197 5.536 -2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.513 6.263 -1.278 1.00 0.00 H new ATOM 0 HG LEU A 24 1.352 6.645 -0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.394 8.734 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.250 7.303 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.179 8.311 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.430 8.719 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.178 8.296 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.416 7.277 1.170 1.00 0.00 H new ATOM 327 N ASP A 25 -2.774 4.126 0.328 1.00 0.00 N ATOM 328 CA ASP A 25 -4.022 3.383 0.215 1.00 0.00 C ATOM 329 C ASP A 25 -4.866 3.913 -0.943 1.00 0.00 C ATOM 330 O ASP A 25 -4.924 5.120 -1.175 1.00 0.00 O ATOM 331 CB ASP A 25 -4.813 3.475 1.522 1.00 0.00 C ATOM 332 CG ASP A 25 -5.540 2.186 1.851 1.00 0.00 C ATOM 333 OD1 ASP A 25 -4.937 1.319 2.517 1.00 0.00 O ATOM 334 OD2 ASP A 25 -6.712 2.045 1.444 1.00 0.00 O ATOM 0 H ASP A 25 -2.783 4.860 1.036 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.780 2.339 0.017 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.134 3.724 2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.536 4.288 1.449 1.00 0.00 H new ATOM 339 N PRO A 26 -5.535 3.015 -1.688 1.00 0.00 N ATOM 340 CA PRO A 26 -6.374 3.406 -2.824 1.00 0.00 C ATOM 341 C PRO A 26 -7.658 4.105 -2.386 1.00 0.00 C ATOM 342 O PRO A 26 -8.243 4.881 -3.141 1.00 0.00 O ATOM 343 CB PRO A 26 -6.697 2.075 -3.502 1.00 0.00 C ATOM 344 CG PRO A 26 -6.601 1.063 -2.413 1.00 0.00 C ATOM 345 CD PRO A 26 -5.525 1.553 -1.485 1.00 0.00 C ATOM 0 HA PRO A 26 -5.869 4.121 -3.474 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.693 2.087 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.994 1.859 -4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.552 0.962 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.352 0.081 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.738 1.290 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.555 1.120 -1.731 1.00 0.00 H new ATOM 353 N ILE A 27 -8.094 3.822 -1.162 1.00 0.00 N ATOM 354 CA ILE A 27 -9.310 4.423 -0.627 1.00 0.00 C ATOM 355 C ILE A 27 -8.987 5.557 0.340 1.00 0.00 C ATOM 356 O ILE A 27 -9.421 6.693 0.147 1.00 0.00 O ATOM 357 CB ILE A 27 -10.178 3.379 0.100 1.00 0.00 C ATOM 358 CG1 ILE A 27 -10.345 2.127 -0.763 1.00 0.00 C ATOM 359 CG2 ILE A 27 -11.536 3.971 0.451 1.00 0.00 C ATOM 360 CD1 ILE A 27 -10.865 0.930 0.001 1.00 0.00 C ATOM 0 H ILE A 27 -7.624 3.181 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 27 -9.864 4.821 -1.477 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.676 3.094 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.028 2.349 -1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.384 1.873 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.138 3.221 0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.399 4.834 1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -12.044 4.282 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.958 0.080 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.171 0.681 0.804 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.841 1.165 0.425 1.00 0.00 H new ATOM 372 N MET A 28 -8.226 5.241 1.382 1.00 0.00 N ATOM 373 CA MET A 28 -7.848 6.233 2.382 1.00 0.00 C ATOM 374 C MET A 28 -6.908 7.280 1.793 1.00 0.00 C ATOM 375 O MET A 28 -6.865 8.420 2.259 1.00 0.00 O ATOM 376 CB MET A 28 -7.183 5.552 3.579 1.00 0.00 C ATOM 377 CG MET A 28 -8.173 5.036 4.612 1.00 0.00 C ATOM 378 SD MET A 28 -8.660 6.303 5.800 1.00 0.00 S ATOM 379 CE MET A 28 -10.257 6.783 5.146 1.00 0.00 C ATOM 0 H MET A 28 -7.859 4.306 1.556 1.00 0.00 H new ATOM 0 HA MET A 28 -8.756 6.737 2.714 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.576 4.720 3.222 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.505 6.258 4.058 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.061 4.660 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.731 4.194 5.145 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.876 7.179 5.951 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.122 7.549 4.382 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.746 5.914 4.706 1.00 0.00 H new ATOM 389 N SER A 29 -6.155 6.890 0.770 1.00 0.00 N ATOM 390 CA SER A 29 -5.215 7.801 0.124 1.00 0.00 C ATOM 391 C SER A 29 -4.133 8.248 1.102 1.00 0.00 C ATOM 392 O SER A 29 -3.623 9.364 1.011 1.00 0.00 O ATOM 393 CB SER A 29 -5.952 9.021 -0.432 1.00 0.00 C ATOM 394 OG SER A 29 -7.287 8.696 -0.781 1.00 0.00 O ATOM 0 H SER A 29 -6.176 5.952 0.371 1.00 0.00 H new ATOM 0 HA SER A 29 -4.739 7.268 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.951 9.820 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.426 9.399 -1.308 1.00 0.00 H new ATOM 0 HG SER A 29 -7.737 9.493 -1.132 1.00 0.00 H new ATOM 400 N THR A 30 -3.788 7.368 2.036 1.00 0.00 N ATOM 401 CA THR A 30 -2.768 7.671 3.033 1.00 0.00 C ATOM 402 C THR A 30 -1.766 6.527 3.153 1.00 0.00 C ATOM 403 O THR A 30 -1.899 5.500 2.488 1.00 0.00 O ATOM 404 CB THR A 30 -3.417 7.941 4.391 1.00 0.00 C ATOM 405 OG1 THR A 30 -3.879 6.735 4.974 1.00 0.00 O ATOM 406 CG2 THR A 30 -4.590 8.894 4.315 1.00 0.00 C ATOM 0 H THR A 30 -4.200 6.439 2.123 1.00 0.00 H new ATOM 0 HA THR A 30 -2.234 8.564 2.709 1.00 0.00 H new ATOM 0 HB THR A 30 -2.637 8.400 4.998 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.289 6.928 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.004 9.042 5.312 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.256 9.851 3.915 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.357 8.476 3.662 1.00 0.00 H new ATOM 414 N LEU A 31 -0.763 6.712 4.006 1.00 0.00 N ATOM 415 CA LEU A 31 0.262 5.695 4.213 1.00 0.00 C ATOM 416 C LEU A 31 -0.351 4.406 4.752 1.00 0.00 C ATOM 417 O LEU A 31 -1.277 4.439 5.562 1.00 0.00 O ATOM 418 CB LEU A 31 1.330 6.208 5.179 1.00 0.00 C ATOM 419 CG LEU A 31 2.582 5.336 5.284 1.00 0.00 C ATOM 420 CD1 LEU A 31 3.594 5.722 4.216 1.00 0.00 C ATOM 421 CD2 LEU A 31 3.196 5.453 6.671 1.00 0.00 C ATOM 0 H LEU A 31 -0.638 7.556 4.565 1.00 0.00 H new ATOM 0 HA LEU A 31 0.725 5.480 3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.628 7.209 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.887 6.301 6.170 1.00 0.00 H new ATOM 0 HG LEU A 31 2.294 4.298 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.478 5.091 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.151 5.586 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.879 6.766 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.086 4.826 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.470 6.491 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.473 5.126 7.418 1.00 0.00 H new ATOM 433 N MET A 32 0.172 3.273 4.295 1.00 0.00 N ATOM 434 CA MET A 32 -0.323 1.972 4.731 1.00 0.00 C ATOM 435 C MET A 32 0.693 1.274 5.629 1.00 0.00 C ATOM 436 O MET A 32 1.790 0.928 5.190 1.00 0.00 O ATOM 437 CB MET A 32 -0.639 1.092 3.520 1.00 0.00 C ATOM 438 CG MET A 32 -1.864 1.543 2.743 1.00 0.00 C ATOM 439 SD MET A 32 -2.375 0.346 1.495 1.00 0.00 S ATOM 440 CE MET A 32 -0.864 0.179 0.548 1.00 0.00 C ATOM 0 H MET A 32 0.938 3.229 3.623 1.00 0.00 H new ATOM 0 HA MET A 32 -1.236 2.133 5.304 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.222 1.085 2.852 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.790 0.066 3.856 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.687 1.712 3.437 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.652 2.497 2.260 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.004 -0.570 -0.231 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.614 1.136 0.090 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.053 -0.131 1.208 1.00 0.00 H new ATOM 450 N CYS A 33 0.321 1.069 6.889 1.00 0.00 N ATOM 451 CA CYS A 33 1.200 0.412 7.848 1.00 0.00 C ATOM 452 C CYS A 33 1.090 -1.106 7.734 1.00 0.00 C ATOM 453 O CYS A 33 2.096 -1.815 7.753 1.00 0.00 O ATOM 454 CB CYS A 33 0.857 0.853 9.272 1.00 0.00 C ATOM 455 SG CYS A 33 2.148 0.495 10.486 1.00 0.00 S ATOM 0 H CYS A 33 -0.583 1.349 7.269 1.00 0.00 H new ATOM 0 HA CYS A 33 2.226 0.703 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.661 1.925 9.272 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.065 0.360 9.582 1.00 0.00 H new ATOM 0 HG CYS A 33 1.767 0.906 11.659 1.00 0.00 H new ATOM 461 N ASP A 34 -0.139 -1.596 7.613 1.00 0.00 N ATOM 462 CA ASP A 34 -0.383 -3.029 7.494 1.00 0.00 C ATOM 463 C ASP A 34 -1.217 -3.335 6.251 1.00 0.00 C ATOM 464 O ASP A 34 -2.414 -3.601 6.347 1.00 0.00 O ATOM 465 CB ASP A 34 -1.096 -3.553 8.742 1.00 0.00 C ATOM 466 CG ASP A 34 -0.270 -3.364 10.000 1.00 0.00 C ATOM 467 OD1 ASP A 34 0.974 -3.351 9.896 1.00 0.00 O ATOM 468 OD2 ASP A 34 -0.869 -3.230 11.088 1.00 0.00 O ATOM 0 H ASP A 34 -0.982 -1.022 7.595 1.00 0.00 H new ATOM 0 HA ASP A 34 0.580 -3.530 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.050 -3.038 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.319 -4.612 8.612 1.00 0.00 H new ATOM 473 N PRO A 35 -0.590 -3.300 5.062 1.00 0.00 N ATOM 474 CA PRO A 35 -1.279 -3.575 3.798 1.00 0.00 C ATOM 475 C PRO A 35 -1.681 -5.038 3.660 1.00 0.00 C ATOM 476 O PRO A 35 -0.834 -5.932 3.702 1.00 0.00 O ATOM 477 CB PRO A 35 -0.239 -3.205 2.737 1.00 0.00 C ATOM 478 CG PRO A 35 1.074 -3.363 3.422 1.00 0.00 C ATOM 479 CD PRO A 35 0.838 -2.990 4.859 1.00 0.00 C ATOM 0 HA PRO A 35 -2.211 -3.016 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.312 -3.857 1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.381 -2.184 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.437 -4.388 3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.830 -2.720 2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.474 -3.564 5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.050 -1.936 5.041 1.00 0.00 H new ATOM 487 N VAL A 36 -2.978 -5.277 3.495 1.00 0.00 N ATOM 488 CA VAL A 36 -3.493 -6.633 3.349 1.00 0.00 C ATOM 489 C VAL A 36 -3.941 -6.898 1.915 1.00 0.00 C ATOM 490 O VAL A 36 -4.684 -6.109 1.331 1.00 0.00 O ATOM 491 CB VAL A 36 -4.677 -6.890 4.300 1.00 0.00 C ATOM 492 CG1 VAL A 36 -4.198 -6.968 5.742 1.00 0.00 C ATOM 493 CG2 VAL A 36 -5.735 -5.808 4.140 1.00 0.00 C ATOM 0 H VAL A 36 -3.691 -4.549 3.459 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.678 -7.310 3.605 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.127 -7.848 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.049 -7.150 6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.481 -7.782 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.721 -6.028 6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.564 -6.006 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.300 -4.836 4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.101 -5.806 3.113 1.00 0.00 H new ATOM 503 N VAL A 37 -3.486 -8.013 1.354 1.00 0.00 N ATOM 504 CA VAL A 37 -3.840 -8.380 -0.012 1.00 0.00 C ATOM 505 C VAL A 37 -5.229 -9.005 -0.070 1.00 0.00 C ATOM 506 O VAL A 37 -5.500 -10.005 0.597 1.00 0.00 O ATOM 507 CB VAL A 37 -2.820 -9.367 -0.612 1.00 0.00 C ATOM 508 CG1 VAL A 37 -3.106 -9.600 -2.088 1.00 0.00 C ATOM 509 CG2 VAL A 37 -1.399 -8.859 -0.411 1.00 0.00 C ATOM 0 H VAL A 37 -2.872 -8.678 1.824 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.832 -7.461 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.917 -10.320 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.375 -10.300 -2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.108 -10.014 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.040 -8.654 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.694 -9.570 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.285 -7.893 -0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.199 -8.750 0.655 1.00 0.00 H new ATOM 519 N LEU A 38 -6.107 -8.411 -0.872 1.00 0.00 N ATOM 520 CA LEU A 38 -7.468 -8.910 -1.019 1.00 0.00 C ATOM 521 C LEU A 38 -7.554 -9.923 -2.161 1.00 0.00 C ATOM 522 O LEU A 38 -7.264 -9.593 -3.311 1.00 0.00 O ATOM 523 CB LEU A 38 -8.433 -7.752 -1.279 1.00 0.00 C ATOM 524 CG LEU A 38 -8.148 -6.479 -0.478 1.00 0.00 C ATOM 525 CD1 LEU A 38 -8.971 -5.317 -1.013 1.00 0.00 C ATOM 526 CD2 LEU A 38 -8.435 -6.704 0.999 1.00 0.00 C ATOM 0 H LEU A 38 -5.899 -7.583 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.749 -9.407 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.406 -7.508 -2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.446 -8.086 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.092 -6.231 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.756 -4.420 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.716 -5.142 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.032 -5.555 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.227 -5.789 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.482 -6.977 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.802 -7.508 1.374 1.00 0.00 H new ATOM 538 N PRO A 39 -7.951 -11.173 -1.863 1.00 0.00 N ATOM 539 CA PRO A 39 -8.066 -12.225 -2.880 1.00 0.00 C ATOM 540 C PRO A 39 -9.282 -12.044 -3.786 1.00 0.00 C ATOM 541 O PRO A 39 -9.484 -12.814 -4.725 1.00 0.00 O ATOM 542 CB PRO A 39 -8.208 -13.499 -2.048 1.00 0.00 C ATOM 543 CG PRO A 39 -8.841 -13.050 -0.778 1.00 0.00 C ATOM 544 CD PRO A 39 -8.316 -11.663 -0.519 1.00 0.00 C ATOM 0 HA PRO A 39 -7.213 -12.227 -3.558 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.825 -14.239 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.239 -13.963 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.928 -13.046 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.589 -13.722 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.070 -11.029 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.455 -11.679 0.149 1.00 0.00 H new ATOM 552 N SER A 40 -10.094 -11.028 -3.502 1.00 0.00 N ATOM 553 CA SER A 40 -11.287 -10.761 -4.295 1.00 0.00 C ATOM 554 C SER A 40 -10.968 -9.873 -5.494 1.00 0.00 C ATOM 555 O SER A 40 -11.106 -10.292 -6.644 1.00 0.00 O ATOM 556 CB SER A 40 -12.362 -10.099 -3.430 1.00 0.00 C ATOM 557 OG SER A 40 -13.658 -10.526 -3.813 1.00 0.00 O ATOM 0 H SER A 40 -9.946 -10.378 -2.730 1.00 0.00 H new ATOM 0 HA SER A 40 -11.660 -11.715 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.190 -10.342 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.291 -9.015 -3.522 1.00 0.00 H new ATOM 0 HG SER A 40 -14.287 -10.362 -3.079 1.00 0.00 H new ATOM 563 N SER A 41 -10.546 -8.641 -5.220 1.00 0.00 N ATOM 564 CA SER A 41 -10.217 -7.694 -6.280 1.00 0.00 C ATOM 565 C SER A 41 -8.706 -7.588 -6.495 1.00 0.00 C ATOM 566 O SER A 41 -8.252 -6.886 -7.399 1.00 0.00 O ATOM 567 CB SER A 41 -10.790 -6.314 -5.951 1.00 0.00 C ATOM 568 OG SER A 41 -10.074 -5.702 -4.893 1.00 0.00 O ATOM 0 H SER A 41 -10.424 -8.277 -4.275 1.00 0.00 H new ATOM 0 HA SER A 41 -10.663 -8.065 -7.203 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.749 -5.680 -6.836 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.840 -6.409 -5.676 1.00 0.00 H new ATOM 0 HG SER A 41 -10.379 -6.068 -4.037 1.00 0.00 H new ATOM 574 N ARG A 42 -7.931 -8.281 -5.666 1.00 0.00 N ATOM 575 CA ARG A 42 -6.477 -8.251 -5.781 1.00 0.00 C ATOM 576 C ARG A 42 -5.945 -6.832 -5.601 1.00 0.00 C ATOM 577 O ARG A 42 -4.923 -6.463 -6.179 1.00 0.00 O ATOM 578 CB ARG A 42 -6.040 -8.803 -7.139 1.00 0.00 C ATOM 579 CG ARG A 42 -6.181 -10.312 -7.256 1.00 0.00 C ATOM 580 CD ARG A 42 -7.431 -10.698 -8.030 1.00 0.00 C ATOM 581 NE ARG A 42 -8.030 -11.931 -7.524 1.00 0.00 N ATOM 582 CZ ARG A 42 -7.573 -13.149 -7.807 1.00 0.00 C ATOM 583 NH1 ARG A 42 -6.513 -13.300 -8.591 1.00 0.00 N ATOM 584 NH2 ARG A 42 -8.176 -14.217 -7.305 1.00 0.00 N ATOM 0 H ARG A 42 -8.284 -8.868 -4.910 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.063 -8.878 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.632 -8.329 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.000 -8.529 -7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.303 -10.723 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.218 -10.753 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.159 -9.889 -7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.181 -10.822 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.847 -11.854 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.045 -12.481 -8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.166 -14.235 -8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.991 -14.106 -6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.825 -15.150 -7.522 1.00 0.00 H new ATOM 598 N VAL A 43 -6.647 -6.040 -4.796 1.00 0.00 N ATOM 599 CA VAL A 43 -6.246 -4.662 -4.540 1.00 0.00 C ATOM 600 C VAL A 43 -5.679 -4.508 -3.133 1.00 0.00 C ATOM 601 O VAL A 43 -6.357 -4.793 -2.146 1.00 0.00 O ATOM 602 CB VAL A 43 -7.427 -3.690 -4.713 1.00 0.00 C ATOM 603 CG1 VAL A 43 -6.948 -2.248 -4.641 1.00 0.00 C ATOM 604 CG2 VAL A 43 -8.148 -3.954 -6.027 1.00 0.00 C ATOM 0 H VAL A 43 -7.496 -6.329 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.475 -4.417 -5.270 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.132 -3.856 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.797 -1.576 -4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.481 -2.068 -3.673 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.222 -2.066 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.980 -3.257 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.454 -3.818 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.527 -4.976 -6.035 1.00 0.00 H new ATOM 614 N THR A 44 -4.433 -4.056 -3.049 1.00 0.00 N ATOM 615 CA THR A 44 -3.774 -3.864 -1.763 1.00 0.00 C ATOM 616 C THR A 44 -4.421 -2.724 -0.983 1.00 0.00 C ATOM 617 O THR A 44 -4.616 -1.630 -1.512 1.00 0.00 O ATOM 618 CB THR A 44 -2.285 -3.578 -1.965 1.00 0.00 C ATOM 619 OG1 THR A 44 -1.844 -4.080 -3.214 1.00 0.00 O ATOM 620 CG2 THR A 44 -1.408 -4.184 -0.891 1.00 0.00 C ATOM 0 H THR A 44 -3.859 -3.816 -3.857 1.00 0.00 H new ATOM 0 HA THR A 44 -3.885 -4.783 -1.187 1.00 0.00 H new ATOM 0 HB THR A 44 -2.190 -2.493 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.890 -3.886 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.365 -3.943 -1.095 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.691 -3.779 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.536 -5.266 -0.885 1.00 0.00 H new ATOM 628 N VAL A 45 -4.751 -2.989 0.277 1.00 0.00 N ATOM 629 CA VAL A 45 -5.375 -1.986 1.131 1.00 0.00 C ATOM 630 C VAL A 45 -5.001 -2.201 2.592 1.00 0.00 C ATOM 631 O VAL A 45 -4.664 -3.312 3.000 1.00 0.00 O ATOM 632 CB VAL A 45 -6.910 -2.008 0.997 1.00 0.00 C ATOM 633 CG1 VAL A 45 -7.332 -1.538 -0.387 1.00 0.00 C ATOM 634 CG2 VAL A 45 -7.449 -3.400 1.284 1.00 0.00 C ATOM 0 H VAL A 45 -4.596 -3.890 0.729 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.004 -1.015 0.802 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.332 -1.322 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.419 -1.560 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.978 -0.520 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.902 -2.196 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.534 -3.397 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.022 -4.109 0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.178 -3.693 2.298 1.00 0.00 H new ATOM 644 N ASP A 46 -5.064 -1.130 3.379 1.00 0.00 N ATOM 645 CA ASP A 46 -4.732 -1.204 4.796 1.00 0.00 C ATOM 646 C ASP A 46 -5.646 -2.188 5.518 1.00 0.00 C ATOM 647 O ASP A 46 -6.812 -2.348 5.157 1.00 0.00 O ATOM 648 CB ASP A 46 -4.838 0.182 5.438 1.00 0.00 C ATOM 649 CG ASP A 46 -3.505 0.679 5.965 1.00 0.00 C ATOM 650 OD1 ASP A 46 -2.638 -0.165 6.276 1.00 0.00 O ATOM 651 OD2 ASP A 46 -3.329 1.911 6.069 1.00 0.00 O ATOM 0 H ASP A 46 -5.342 -0.202 3.058 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.706 -1.560 4.887 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.223 0.891 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.558 0.147 6.255 1.00 0.00 H new ATOM 656 N ARG A 47 -5.109 -2.846 6.541 1.00 0.00 N ATOM 657 CA ARG A 47 -5.876 -3.817 7.314 1.00 0.00 C ATOM 658 C ARG A 47 -7.082 -3.158 7.975 1.00 0.00 C ATOM 659 O ARG A 47 -8.112 -3.798 8.187 1.00 0.00 O ATOM 660 CB ARG A 47 -4.988 -4.466 8.377 1.00 0.00 C ATOM 661 CG ARG A 47 -5.458 -5.849 8.800 1.00 0.00 C ATOM 662 CD ARG A 47 -6.109 -5.822 10.175 1.00 0.00 C ATOM 663 NE ARG A 47 -5.136 -5.578 11.236 1.00 0.00 N ATOM 664 CZ ARG A 47 -5.464 -5.201 12.470 1.00 0.00 C ATOM 665 NH1 ARG A 47 -6.736 -5.025 12.801 1.00 0.00 N ATOM 666 NH2 ARG A 47 -4.516 -5.001 13.376 1.00 0.00 N ATOM 0 H ARG A 47 -4.146 -2.724 6.854 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.236 -4.586 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.970 -4.539 7.994 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.953 -3.819 9.254 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.169 -6.232 8.068 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.611 -6.534 8.811 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.874 -5.046 10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.613 -6.771 10.356 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.147 -5.704 11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.469 -5.179 12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.981 -4.736 13.748 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.536 -5.136 13.127 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.767 -4.712 14.322 1.00 0.00 H new ATOM 680 N SER A 48 -6.949 -1.877 8.300 1.00 0.00 N ATOM 681 CA SER A 48 -8.028 -1.134 8.938 1.00 0.00 C ATOM 682 C SER A 48 -8.981 -0.554 7.898 1.00 0.00 C ATOM 683 O SER A 48 -10.192 -0.491 8.118 1.00 0.00 O ATOM 684 CB SER A 48 -7.459 -0.010 9.807 1.00 0.00 C ATOM 685 OG SER A 48 -8.317 0.277 10.897 1.00 0.00 O ATOM 0 H SER A 48 -6.104 -1.332 8.132 1.00 0.00 H new ATOM 0 HA SER A 48 -8.586 -1.826 9.569 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.476 -0.297 10.180 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.321 0.887 9.203 1.00 0.00 H new ATOM 0 HG SER A 48 -7.930 0.997 11.437 1.00 0.00 H new ATOM 691 N THR A 49 -8.429 -0.132 6.765 1.00 0.00 N ATOM 692 CA THR A 49 -9.232 0.443 5.693 1.00 0.00 C ATOM 693 C THR A 49 -10.256 -0.563 5.181 1.00 0.00 C ATOM 694 O THR A 49 -11.388 -0.202 4.859 1.00 0.00 O ATOM 695 CB THR A 49 -8.333 0.903 4.544 1.00 0.00 C ATOM 696 OG1 THR A 49 -7.257 1.687 5.031 1.00 0.00 O ATOM 697 CG2 THR A 49 -9.063 1.724 3.503 1.00 0.00 C ATOM 0 H THR A 49 -7.430 -0.178 6.566 1.00 0.00 H new ATOM 0 HA THR A 49 -9.765 1.304 6.095 1.00 0.00 H new ATOM 0 HB THR A 49 -7.974 -0.013 4.075 1.00 0.00 H new ATOM 0 HG1 THR A 49 -6.887 2.225 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.367 2.017 2.717 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.869 1.131 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.480 2.616 3.970 1.00 0.00 H new ATOM 705 N ILE A 50 -9.851 -1.825 5.109 1.00 0.00 N ATOM 706 CA ILE A 50 -10.733 -2.885 4.639 1.00 0.00 C ATOM 707 C ILE A 50 -11.759 -3.254 5.705 1.00 0.00 C ATOM 708 O ILE A 50 -12.929 -3.489 5.401 1.00 0.00 O ATOM 709 CB ILE A 50 -9.937 -4.144 4.240 1.00 0.00 C ATOM 710 CG1 ILE A 50 -10.869 -5.200 3.643 1.00 0.00 C ATOM 711 CG2 ILE A 50 -9.191 -4.706 5.441 1.00 0.00 C ATOM 712 CD1 ILE A 50 -11.538 -4.759 2.359 1.00 0.00 C ATOM 0 H ILE A 50 -8.916 -2.139 5.370 1.00 0.00 H new ATOM 0 HA ILE A 50 -11.251 -2.503 3.759 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.205 -3.864 3.482 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.300 -6.110 3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.636 -5.452 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -8.635 -5.594 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.498 -3.956 5.823 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -9.905 -4.971 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.184 -5.557 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.135 -3.867 2.548 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.778 -4.535 1.611 1.00 0.00 H new ATOM 724 N ALA A 51 -11.314 -3.302 6.957 1.00 0.00 N ATOM 725 CA ALA A 51 -12.192 -3.641 8.071 1.00 0.00 C ATOM 726 C ALA A 51 -13.406 -2.718 8.115 1.00 0.00 C ATOM 727 O ALA A 51 -14.517 -3.152 8.422 1.00 0.00 O ATOM 728 CB ALA A 51 -11.428 -3.572 9.384 1.00 0.00 C ATOM 0 H ALA A 51 -10.349 -3.110 7.225 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.548 -4.660 7.923 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.095 -3.827 10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.597 -4.277 9.359 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.043 -2.562 9.529 1.00 0.00 H new ATOM 734 N ARG A 52 -13.189 -1.445 7.803 1.00 0.00 N ATOM 735 CA ARG A 52 -14.266 -0.463 7.803 1.00 0.00 C ATOM 736 C ARG A 52 -15.339 -0.837 6.786 1.00 0.00 C ATOM 737 O ARG A 52 -16.528 -0.608 7.010 1.00 0.00 O ATOM 738 CB ARG A 52 -13.715 0.931 7.495 1.00 0.00 C ATOM 739 CG ARG A 52 -14.583 2.059 8.030 1.00 0.00 C ATOM 740 CD ARG A 52 -14.457 2.190 9.539 1.00 0.00 C ATOM 741 NE ARG A 52 -13.556 3.275 9.921 1.00 0.00 N ATOM 742 CZ ARG A 52 -13.427 3.728 11.166 1.00 0.00 C ATOM 743 NH1 ARG A 52 -14.140 3.196 12.151 1.00 0.00 N ATOM 744 NH2 ARG A 52 -12.585 4.718 11.427 1.00 0.00 N ATOM 0 H ARG A 52 -12.276 -1.069 7.547 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.718 -0.454 8.795 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.715 1.020 7.920 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.613 1.042 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.294 2.998 7.557 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.624 1.875 7.765 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.442 2.368 9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.091 1.251 9.955 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.993 3.711 9.191 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.791 2.436 11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.037 3.548 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.036 5.133 10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.486 5.065 12.381 1.00 0.00 H new ATOM 758 N HIS A 53 -14.910 -1.415 5.670 1.00 0.00 N ATOM 759 CA HIS A 53 -15.832 -1.825 4.617 1.00 0.00 C ATOM 760 C HIS A 53 -16.496 -3.155 4.960 1.00 0.00 C ATOM 761 O HIS A 53 -17.584 -3.460 4.470 1.00 0.00 O ATOM 762 CB HIS A 53 -15.094 -1.940 3.281 1.00 0.00 C ATOM 763 CG HIS A 53 -16.010 -2.042 2.101 1.00 0.00 C ATOM 764 ND1 HIS A 53 -17.020 -1.144 1.832 1.00 0.00 N ATOM 765 CD2 HIS A 53 -16.053 -2.963 1.104 1.00 0.00 C ATOM 766 CE1 HIS A 53 -17.632 -1.539 0.708 1.00 0.00 C ATOM 767 NE2 HIS A 53 -17.083 -2.637 0.227 1.00 0.00 N ATOM 0 H HIS A 53 -13.929 -1.610 5.471 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.608 -1.064 4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.448 -1.071 3.156 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.447 -2.817 3.306 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -17.259 -0.324 2.390 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -15.393 -3.813 1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.467 -1.025 0.255 1.00 0.00 H new ATOM 775 N LEU A 54 -15.837 -3.943 5.805 1.00 0.00 N ATOM 776 CA LEU A 54 -16.368 -5.240 6.212 1.00 0.00 C ATOM 777 C LEU A 54 -17.108 -5.137 7.543 1.00 0.00 C ATOM 778 O LEU A 54 -17.188 -6.108 8.295 1.00 0.00 O ATOM 779 CB LEU A 54 -15.236 -6.264 6.324 1.00 0.00 C ATOM 780 CG LEU A 54 -14.342 -6.382 5.088 1.00 0.00 C ATOM 781 CD1 LEU A 54 -13.232 -7.392 5.326 1.00 0.00 C ATOM 782 CD2 LEU A 54 -15.167 -6.770 3.871 1.00 0.00 C ATOM 0 H LEU A 54 -14.936 -3.706 6.220 1.00 0.00 H new ATOM 0 HA LEU A 54 -17.075 -5.568 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.614 -6.002 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.671 -7.241 6.533 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.885 -5.411 4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -12.607 -7.462 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -12.624 -7.072 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.668 -8.368 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.516 -6.850 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.652 -7.730 4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.926 -6.009 3.688 1.00 0.00 H new ATOM 794 N LEU A 55 -17.650 -3.956 7.827 1.00 0.00 N ATOM 795 CA LEU A 55 -18.384 -3.732 9.068 1.00 0.00 C ATOM 796 C LEU A 55 -19.836 -4.176 8.923 1.00 0.00 C ATOM 797 O LEU A 55 -20.305 -5.047 9.655 1.00 0.00 O ATOM 798 CB LEU A 55 -18.328 -2.254 9.459 1.00 0.00 C ATOM 799 CG LEU A 55 -16.925 -1.704 9.717 1.00 0.00 C ATOM 800 CD1 LEU A 55 -16.976 -0.205 9.963 1.00 0.00 C ATOM 801 CD2 LEU A 55 -16.283 -2.418 10.898 1.00 0.00 C ATOM 0 H LEU A 55 -17.595 -3.141 7.216 1.00 0.00 H new ATOM 0 HA LEU A 55 -17.915 -4.325 9.853 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.792 -1.667 8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.929 -2.109 10.357 1.00 0.00 H new ATOM 0 HG LEU A 55 -16.316 -1.885 8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.968 0.168 10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -17.395 0.293 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -17.601 0.000 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.285 -2.015 11.068 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.892 -2.267 11.789 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.212 -3.484 10.683 1.00 0.00 H new ATOM 813 N SER A 56 -20.541 -3.572 7.973 1.00 0.00 N ATOM 814 CA SER A 56 -21.940 -3.906 7.728 1.00 0.00 C ATOM 815 C SER A 56 -22.074 -4.848 6.536 1.00 0.00 C ATOM 816 O SER A 56 -22.985 -5.673 6.484 1.00 0.00 O ATOM 817 CB SER A 56 -22.753 -2.633 7.482 1.00 0.00 C ATOM 818 OG SER A 56 -23.262 -2.110 8.696 1.00 0.00 O ATOM 0 H SER A 56 -20.167 -2.848 7.359 1.00 0.00 H new ATOM 0 HA SER A 56 -22.328 -4.412 8.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 -22.126 -1.886 6.995 1.00 0.00 H new ATOM 0 HB3 SER A 56 -23.577 -2.850 6.802 1.00 0.00 H new ATOM 0 HG SER A 56 -23.776 -1.296 8.512 1.00 0.00 H new ATOM 824 N ASP A 57 -21.158 -4.718 5.581 1.00 0.00 N ATOM 825 CA ASP A 57 -21.173 -5.557 4.389 1.00 0.00 C ATOM 826 C ASP A 57 -19.818 -6.226 4.178 1.00 0.00 C ATOM 827 O ASP A 57 -18.901 -5.629 3.616 1.00 0.00 O ATOM 828 CB ASP A 57 -21.540 -4.726 3.159 1.00 0.00 C ATOM 829 CG ASP A 57 -22.946 -4.164 3.239 1.00 0.00 C ATOM 830 OD1 ASP A 57 -23.178 -3.260 4.070 1.00 0.00 O ATOM 831 OD2 ASP A 57 -23.815 -4.627 2.471 1.00 0.00 O ATOM 0 H ASP A 57 -20.397 -4.040 5.610 1.00 0.00 H new ATOM 0 HA ASP A 57 -21.924 -6.334 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -20.830 -3.906 3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -21.449 -5.344 2.266 1.00 0.00 H new ATOM 836 N GLN A 58 -19.700 -7.469 4.633 1.00 0.00 N ATOM 837 CA GLN A 58 -18.458 -8.219 4.493 1.00 0.00 C ATOM 838 C GLN A 58 -18.179 -8.538 3.028 1.00 0.00 C ATOM 839 O GLN A 58 -18.464 -9.640 2.556 1.00 0.00 O ATOM 840 CB GLN A 58 -18.523 -9.513 5.308 1.00 0.00 C ATOM 841 CG GLN A 58 -17.928 -9.384 6.701 1.00 0.00 C ATOM 842 CD GLN A 58 -18.842 -9.929 7.780 1.00 0.00 C ATOM 843 OE1 GLN A 58 -19.438 -10.994 7.625 1.00 0.00 O ATOM 844 NE2 GLN A 58 -18.958 -9.198 8.882 1.00 0.00 N ATOM 0 H GLN A 58 -20.449 -7.978 5.102 1.00 0.00 H new ATOM 0 HA GLN A 58 -17.644 -7.601 4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -19.563 -9.827 5.394 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.996 -10.300 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -16.976 -9.914 6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -17.717 -8.334 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -18.445 -8.321 8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -19.560 -9.514 9.642 1.00 0.00 H new ATOM 853 N THR A 59 -17.621 -7.567 2.311 1.00 0.00 N ATOM 854 CA THR A 59 -17.305 -7.744 0.899 1.00 0.00 C ATOM 855 C THR A 59 -16.179 -6.809 0.473 1.00 0.00 C ATOM 856 O THR A 59 -15.670 -6.026 1.276 1.00 0.00 O ATOM 857 CB THR A 59 -18.546 -7.491 0.041 1.00 0.00 C ATOM 858 OG1 THR A 59 -19.142 -6.251 0.378 1.00 0.00 O ATOM 859 CG2 THR A 59 -19.603 -8.563 0.185 1.00 0.00 C ATOM 0 H THR A 59 -17.379 -6.650 2.685 1.00 0.00 H new ATOM 0 HA THR A 59 -16.975 -8.772 0.752 1.00 0.00 H new ATOM 0 HB THR A 59 -18.190 -7.492 -0.989 1.00 0.00 H new ATOM 0 HG1 THR A 59 -19.933 -6.105 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 59 -20.455 -8.321 -0.450 1.00 0.00 H new ATOM 0 HG22 THR A 59 -19.188 -9.525 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 59 -19.928 -8.616 1.224 1.00 0.00 H new ATOM 867 N ASP A 60 -15.794 -6.894 -0.797 1.00 0.00 N ATOM 868 CA ASP A 60 -14.727 -6.054 -1.330 1.00 0.00 C ATOM 869 C ASP A 60 -15.288 -4.739 -1.866 1.00 0.00 C ATOM 870 O ASP A 60 -16.328 -4.723 -2.524 1.00 0.00 O ATOM 871 CB ASP A 60 -13.976 -6.793 -2.439 1.00 0.00 C ATOM 872 CG ASP A 60 -12.656 -6.131 -2.781 1.00 0.00 C ATOM 873 OD1 ASP A 60 -12.679 -5.008 -3.328 1.00 0.00 O ATOM 874 OD2 ASP A 60 -11.599 -6.736 -2.504 1.00 0.00 O ATOM 0 H ASP A 60 -16.205 -7.535 -1.475 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.034 -5.829 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.794 -7.822 -2.128 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.600 -6.835 -3.331 1.00 0.00 H new ATOM 879 N PRO A 61 -14.607 -3.612 -1.592 1.00 0.00 N ATOM 880 CA PRO A 61 -15.049 -2.292 -2.052 1.00 0.00 C ATOM 881 C PRO A 61 -14.795 -2.070 -3.541 1.00 0.00 C ATOM 882 O PRO A 61 -15.179 -1.041 -4.096 1.00 0.00 O ATOM 883 CB PRO A 61 -14.200 -1.332 -1.218 1.00 0.00 C ATOM 884 CG PRO A 61 -12.950 -2.089 -0.930 1.00 0.00 C ATOM 885 CD PRO A 61 -13.355 -3.534 -0.811 1.00 0.00 C ATOM 0 HA PRO A 61 -16.124 -2.158 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.990 -0.412 -1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -14.712 -1.047 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -12.220 -1.953 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.485 -1.737 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.590 -4.199 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -13.513 -3.821 0.229 1.00 0.00 H new ATOM 893 N PHE A 62 -14.145 -3.036 -4.186 1.00 0.00 N ATOM 894 CA PHE A 62 -13.845 -2.934 -5.610 1.00 0.00 C ATOM 895 C PHE A 62 -14.530 -4.047 -6.398 1.00 0.00 C ATOM 896 O PHE A 62 -15.016 -3.825 -7.506 1.00 0.00 O ATOM 897 CB PHE A 62 -12.332 -2.992 -5.838 1.00 0.00 C ATOM 898 CG PHE A 62 -11.548 -2.131 -4.889 1.00 0.00 C ATOM 899 CD1 PHE A 62 -11.629 -0.750 -4.957 1.00 0.00 C ATOM 900 CD2 PHE A 62 -10.728 -2.704 -3.929 1.00 0.00 C ATOM 901 CE1 PHE A 62 -10.908 0.045 -4.086 1.00 0.00 C ATOM 902 CE2 PHE A 62 -10.005 -1.915 -3.055 1.00 0.00 C ATOM 903 CZ PHE A 62 -10.095 -0.538 -3.133 1.00 0.00 C ATOM 0 H PHE A 62 -13.817 -3.896 -3.746 1.00 0.00 H new ATOM 0 HA PHE A 62 -14.226 -1.977 -5.965 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.997 -4.025 -5.740 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -12.115 -2.683 -6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -12.263 -0.289 -5.700 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.654 -3.779 -3.864 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.980 1.121 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -9.370 -2.374 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.531 0.081 -2.451 1.00 0.00 H new ATOM 913 N ASN A 63 -14.562 -5.244 -5.821 1.00 0.00 N ATOM 914 CA ASN A 63 -15.185 -6.390 -6.474 1.00 0.00 C ATOM 915 C ASN A 63 -16.587 -6.642 -5.929 1.00 0.00 C ATOM 916 O ASN A 63 -17.445 -7.187 -6.624 1.00 0.00 O ATOM 917 CB ASN A 63 -14.321 -7.640 -6.288 1.00 0.00 C ATOM 918 CG ASN A 63 -13.387 -7.875 -7.459 1.00 0.00 C ATOM 919 OD1 ASN A 63 -13.207 -9.008 -7.906 1.00 0.00 O ATOM 920 ND2 ASN A 63 -12.786 -6.803 -7.962 1.00 0.00 N ATOM 0 H ASN A 63 -14.164 -5.446 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.268 -6.165 -7.537 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.736 -7.541 -5.374 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.966 -8.509 -6.161 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -12.146 -6.900 -8.750 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.965 -5.883 -7.560 1.00 0.00 H new ATOM 927 N ARG A 64 -16.817 -6.247 -4.679 1.00 0.00 N ATOM 928 CA ARG A 64 -18.118 -6.434 -4.045 1.00 0.00 C ATOM 929 C ARG A 64 -18.442 -7.920 -3.905 1.00 0.00 C ATOM 930 O ARG A 64 -19.598 -8.327 -4.016 1.00 0.00 O ATOM 931 CB ARG A 64 -19.212 -5.732 -4.854 1.00 0.00 C ATOM 932 CG ARG A 64 -20.102 -4.827 -4.016 1.00 0.00 C ATOM 933 CD ARG A 64 -21.504 -5.400 -3.870 1.00 0.00 C ATOM 934 NE ARG A 64 -21.492 -6.726 -3.259 1.00 0.00 N ATOM 935 CZ ARG A 64 -22.503 -7.589 -3.340 1.00 0.00 C ATOM 936 NH1 ARG A 64 -23.605 -7.269 -4.006 1.00 0.00 N ATOM 937 NH2 ARG A 64 -22.411 -8.775 -2.753 1.00 0.00 N ATOM 0 H ARG A 64 -16.120 -5.796 -4.086 1.00 0.00 H new ATOM 0 HA ARG A 64 -18.078 -5.992 -3.049 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -18.747 -5.141 -5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.831 -6.485 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -19.659 -4.692 -3.029 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.157 -3.841 -4.478 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -22.109 -4.727 -3.263 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.976 -5.457 -4.851 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.661 -7.008 -2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -23.681 -6.358 -4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -24.376 -7.934 -4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -21.566 -9.026 -2.240 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -23.185 -9.436 -2.815 1.00 0.00 H new ATOM 951 N SER A 65 -17.411 -8.722 -3.659 1.00 0.00 N ATOM 952 CA SER A 65 -17.583 -10.162 -3.502 1.00 0.00 C ATOM 953 C SER A 65 -17.409 -10.574 -2.041 1.00 0.00 C ATOM 954 O SER A 65 -16.913 -9.796 -1.226 1.00 0.00 O ATOM 955 CB SER A 65 -16.580 -10.912 -4.382 1.00 0.00 C ATOM 956 OG SER A 65 -17.216 -11.473 -5.517 1.00 0.00 O ATOM 0 H SER A 65 -16.448 -8.399 -3.564 1.00 0.00 H new ATOM 0 HA SER A 65 -18.595 -10.421 -3.814 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.792 -10.230 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 65 -16.102 -11.701 -3.802 1.00 0.00 H new ATOM 0 HG SER A 65 -16.553 -11.945 -6.063 1.00 0.00 H new ATOM 962 N PRO A 66 -17.813 -11.807 -1.689 1.00 0.00 N ATOM 963 CA PRO A 66 -17.696 -12.315 -0.319 1.00 0.00 C ATOM 964 C PRO A 66 -16.258 -12.280 0.187 1.00 0.00 C ATOM 965 O PRO A 66 -15.440 -13.124 -0.180 1.00 0.00 O ATOM 966 CB PRO A 66 -18.197 -13.764 -0.416 1.00 0.00 C ATOM 967 CG PRO A 66 -18.168 -14.094 -1.871 1.00 0.00 C ATOM 968 CD PRO A 66 -18.413 -12.801 -2.592 1.00 0.00 C ATOM 0 HA PRO A 66 -18.264 -11.708 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.559 -14.440 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.204 -13.860 -0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.207 -14.523 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.932 -14.831 -2.120 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.943 -12.791 -3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -19.477 -12.618 -2.745 1.00 0.00 H new ATOM 976 N LEU A 67 -15.958 -11.297 1.029 1.00 0.00 N ATOM 977 CA LEU A 67 -14.617 -11.149 1.585 1.00 0.00 C ATOM 978 C LEU A 67 -14.666 -11.072 3.108 1.00 0.00 C ATOM 979 O LEU A 67 -15.673 -10.664 3.687 1.00 0.00 O ATOM 980 CB LEU A 67 -13.948 -9.895 1.021 1.00 0.00 C ATOM 981 CG LEU A 67 -12.480 -9.713 1.409 1.00 0.00 C ATOM 982 CD1 LEU A 67 -11.597 -10.675 0.629 1.00 0.00 C ATOM 983 CD2 LEU A 67 -12.041 -8.275 1.173 1.00 0.00 C ATOM 0 H LEU A 67 -16.625 -10.591 1.342 1.00 0.00 H new ATOM 0 HA LEU A 67 -14.032 -12.024 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.020 -9.921 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.507 -9.022 1.356 1.00 0.00 H new ATOM 0 HG LEU A 67 -12.375 -9.936 2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.556 -10.530 0.919 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -11.895 -11.701 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -11.706 -10.485 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.994 -8.163 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.162 -8.026 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.652 -7.604 1.777 1.00 0.00 H new ATOM 995 N THR A 68 -13.572 -11.467 3.751 1.00 0.00 N ATOM 996 CA THR A 68 -13.490 -11.443 5.207 1.00 0.00 C ATOM 997 C THR A 68 -12.052 -11.224 5.667 1.00 0.00 C ATOM 998 O THR A 68 -11.111 -11.375 4.888 1.00 0.00 O ATOM 999 CB THR A 68 -14.034 -12.746 5.792 1.00 0.00 C ATOM 1000 OG1 THR A 68 -13.669 -13.850 4.982 1.00 0.00 O ATOM 1001 CG2 THR A 68 -15.541 -12.758 5.932 1.00 0.00 C ATOM 0 H THR A 68 -12.730 -11.808 3.287 1.00 0.00 H new ATOM 0 HA THR A 68 -14.097 -10.612 5.567 1.00 0.00 H new ATOM 0 HB THR A 68 -13.593 -12.822 6.786 1.00 0.00 H new ATOM 0 HG1 THR A 68 -14.025 -14.675 5.374 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.860 -13.712 6.353 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.852 -11.948 6.592 1.00 0.00 H new ATOM 0 HG23 THR A 68 -15.999 -12.623 4.952 1.00 0.00 H new ATOM 1009 N MET A 69 -11.889 -10.870 6.938 1.00 0.00 N ATOM 1010 CA MET A 69 -10.565 -10.632 7.502 1.00 0.00 C ATOM 1011 C MET A 69 -9.700 -11.884 7.406 1.00 0.00 C ATOM 1012 O MET A 69 -8.478 -11.798 7.279 1.00 0.00 O ATOM 1013 CB MET A 69 -10.682 -10.188 8.961 1.00 0.00 C ATOM 1014 CG MET A 69 -9.682 -9.111 9.351 1.00 0.00 C ATOM 1015 SD MET A 69 -10.451 -7.494 9.576 1.00 0.00 S ATOM 1016 CE MET A 69 -9.993 -6.685 8.045 1.00 0.00 C ATOM 0 H MET A 69 -12.657 -10.742 7.597 1.00 0.00 H new ATOM 0 HA MET A 69 -10.089 -9.839 6.926 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.691 -9.817 9.139 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.542 -11.054 9.608 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.182 -9.403 10.275 1.00 0.00 H new ATOM 0 HG3 MET A 69 -8.913 -9.039 8.582 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.723 -5.911 7.810 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.007 -6.233 8.153 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.969 -7.418 7.239 1.00 0.00 H new ATOM 1026 N ASP A 70 -10.340 -13.047 7.470 1.00 0.00 N ATOM 1027 CA ASP A 70 -9.628 -14.317 7.392 1.00 0.00 C ATOM 1028 C ASP A 70 -9.140 -14.583 5.972 1.00 0.00 C ATOM 1029 O ASP A 70 -8.050 -15.120 5.770 1.00 0.00 O ATOM 1030 CB ASP A 70 -10.532 -15.461 7.855 1.00 0.00 C ATOM 1031 CG ASP A 70 -10.994 -15.289 9.289 1.00 0.00 C ATOM 1032 OD1 ASP A 70 -10.196 -15.574 10.208 1.00 0.00 O ATOM 1033 OD2 ASP A 70 -12.152 -14.870 9.493 1.00 0.00 O ATOM 0 H ASP A 70 -11.351 -13.136 7.576 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.760 -14.258 8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -11.402 -15.521 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.996 -16.405 7.760 1.00 0.00 H new ATOM 1038 N GLN A 71 -9.951 -14.204 4.990 1.00 0.00 N ATOM 1039 CA GLN A 71 -9.601 -14.402 3.589 1.00 0.00 C ATOM 1040 C GLN A 71 -8.383 -13.566 3.208 1.00 0.00 C ATOM 1041 O GLN A 71 -7.442 -14.067 2.592 1.00 0.00 O ATOM 1042 CB GLN A 71 -10.785 -14.040 2.688 1.00 0.00 C ATOM 1043 CG GLN A 71 -11.837 -15.132 2.599 1.00 0.00 C ATOM 1044 CD GLN A 71 -12.396 -15.290 1.199 1.00 0.00 C ATOM 1045 OE1 GLN A 71 -12.551 -16.405 0.702 1.00 0.00 O ATOM 1046 NE2 GLN A 71 -12.702 -14.171 0.554 1.00 0.00 N ATOM 0 H GLN A 71 -10.856 -13.758 5.139 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.355 -15.455 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.250 -13.128 3.062 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.415 -13.821 1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.402 -16.078 2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.651 -14.905 3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.557 -13.267 1.004 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.082 -14.215 -0.392 1.00 0.00 H new ATOM 1055 N ILE A 72 -8.408 -12.290 3.580 1.00 0.00 N ATOM 1056 CA ILE A 72 -7.306 -11.385 3.278 1.00 0.00 C ATOM 1057 C ILE A 72 -6.052 -11.768 4.055 1.00 0.00 C ATOM 1058 O ILE A 72 -6.133 -12.337 5.144 1.00 0.00 O ATOM 1059 CB ILE A 72 -7.672 -9.925 3.604 1.00 0.00 C ATOM 1060 CG1 ILE A 72 -8.053 -9.788 5.080 1.00 0.00 C ATOM 1061 CG2 ILE A 72 -8.810 -9.452 2.711 1.00 0.00 C ATOM 1062 CD1 ILE A 72 -7.669 -8.453 5.680 1.00 0.00 C ATOM 0 H ILE A 72 -9.179 -11.860 4.091 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.109 -11.472 2.209 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.802 -9.297 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.129 -9.928 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.571 -10.585 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.057 -8.418 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.504 -9.517 1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -9.685 -10.082 2.872 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.969 -8.425 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.590 -8.319 5.608 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.172 -7.652 5.138 1.00 0.00 H new ATOM 1074 N ARG A 73 -4.891 -11.454 3.489 1.00 0.00 N ATOM 1075 CA ARG A 73 -3.619 -11.766 4.129 1.00 0.00 C ATOM 1076 C ARG A 73 -2.691 -10.553 4.119 1.00 0.00 C ATOM 1077 O ARG A 73 -2.780 -9.701 3.235 1.00 0.00 O ATOM 1078 CB ARG A 73 -2.943 -12.943 3.423 1.00 0.00 C ATOM 1079 CG ARG A 73 -3.680 -14.262 3.599 1.00 0.00 C ATOM 1080 CD ARG A 73 -3.095 -15.348 2.712 1.00 0.00 C ATOM 1081 NE ARG A 73 -4.109 -16.308 2.281 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.959 -17.130 1.245 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -2.840 -17.113 0.532 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -4.931 -17.972 0.921 1.00 0.00 N ATOM 0 H ARG A 73 -4.805 -10.984 2.588 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.821 -12.039 5.165 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.863 -12.720 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.927 -13.050 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.626 -14.574 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.735 -14.125 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.633 -14.891 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.306 -15.872 3.252 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.983 -16.351 2.805 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.089 -16.468 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.731 -17.745 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.793 -17.990 1.466 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.816 -18.602 0.127 1.00 0.00 H new ATOM 1098 N PRO A 74 -1.785 -10.459 5.108 1.00 0.00 N ATOM 1099 CA PRO A 74 -0.839 -9.343 5.210 1.00 0.00 C ATOM 1100 C PRO A 74 0.231 -9.390 4.124 1.00 0.00 C ATOM 1101 O PRO A 74 0.944 -10.385 3.985 1.00 0.00 O ATOM 1102 CB PRO A 74 -0.210 -9.536 6.590 1.00 0.00 C ATOM 1103 CG PRO A 74 -0.333 -10.995 6.862 1.00 0.00 C ATOM 1104 CD PRO A 74 -1.612 -11.432 6.203 1.00 0.00 C ATOM 0 HA PRO A 74 -1.331 -8.378 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.833 -9.218 6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.728 -8.947 7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.520 -11.541 6.459 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.359 -11.191 7.934 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.541 -12.452 5.826 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.451 -11.407 6.899 1.00 0.00 H new ATOM 1112 N ASN A 75 0.341 -8.309 3.360 1.00 0.00 N ATOM 1113 CA ASN A 75 1.326 -8.228 2.288 1.00 0.00 C ATOM 1114 C ASN A 75 2.739 -8.130 2.854 1.00 0.00 C ATOM 1115 O ASN A 75 3.260 -7.036 3.063 1.00 0.00 O ATOM 1116 CB ASN A 75 1.038 -7.020 1.393 1.00 0.00 C ATOM 1117 CG ASN A 75 1.666 -7.157 0.020 1.00 0.00 C ATOM 1118 OD1 ASN A 75 2.722 -7.769 -0.135 1.00 0.00 O ATOM 1119 ND2 ASN A 75 1.015 -6.585 -0.988 1.00 0.00 N ATOM 0 H ASN A 75 -0.240 -7.477 3.463 1.00 0.00 H new ATOM 0 HA ASN A 75 1.254 -9.138 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.040 -6.899 1.286 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.414 -6.117 1.874 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.389 -6.644 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.142 -6.087 -0.814 1.00 0.00 H new ATOM 1126 N THR A 76 3.353 -9.284 3.099 1.00 0.00 N ATOM 1127 CA THR A 76 4.706 -9.328 3.641 1.00 0.00 C ATOM 1128 C THR A 76 5.705 -8.730 2.657 1.00 0.00 C ATOM 1129 O THR A 76 6.705 -8.132 3.057 1.00 0.00 O ATOM 1130 CB THR A 76 5.098 -10.769 3.971 1.00 0.00 C ATOM 1131 OG1 THR A 76 3.947 -11.564 4.191 1.00 0.00 O ATOM 1132 CG2 THR A 76 5.977 -10.884 5.197 1.00 0.00 C ATOM 0 H THR A 76 2.935 -10.199 2.931 1.00 0.00 H new ATOM 0 HA THR A 76 4.725 -8.735 4.555 1.00 0.00 H new ATOM 0 HB THR A 76 5.661 -11.120 3.106 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.219 -12.482 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 76 6.218 -11.932 5.375 1.00 0.00 H new ATOM 0 HG22 THR A 76 6.897 -10.322 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.450 -10.481 6.062 1.00 0.00 H new ATOM 1140 N GLU A 77 5.429 -8.893 1.367 1.00 0.00 N ATOM 1141 CA GLU A 77 6.304 -8.369 0.325 1.00 0.00 C ATOM 1142 C GLU A 77 6.227 -6.847 0.266 1.00 0.00 C ATOM 1143 O GLU A 77 7.203 -6.179 -0.078 1.00 0.00 O ATOM 1144 CB GLU A 77 5.926 -8.966 -1.033 1.00 0.00 C ATOM 1145 CG GLU A 77 6.967 -9.928 -1.584 1.00 0.00 C ATOM 1146 CD GLU A 77 7.570 -9.451 -2.892 1.00 0.00 C ATOM 1147 OE1 GLU A 77 6.927 -9.638 -3.945 1.00 0.00 O ATOM 1148 OE2 GLU A 77 8.686 -8.890 -2.860 1.00 0.00 O ATOM 0 H GLU A 77 4.606 -9.384 1.018 1.00 0.00 H new ATOM 0 HA GLU A 77 7.328 -8.653 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.974 -9.488 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.776 -8.157 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.761 -10.058 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.509 -10.905 -1.735 1.00 0.00 H new ATOM 1155 N LEU A 78 5.063 -6.303 0.604 1.00 0.00 N ATOM 1156 CA LEU A 78 4.859 -4.860 0.589 1.00 0.00 C ATOM 1157 C LEU A 78 5.329 -4.229 1.896 1.00 0.00 C ATOM 1158 O LEU A 78 5.928 -3.153 1.897 1.00 0.00 O ATOM 1159 CB LEU A 78 3.383 -4.534 0.356 1.00 0.00 C ATOM 1160 CG LEU A 78 3.083 -3.063 0.060 1.00 0.00 C ATOM 1161 CD1 LEU A 78 3.613 -2.676 -1.313 1.00 0.00 C ATOM 1162 CD2 LEU A 78 1.588 -2.793 0.153 1.00 0.00 C ATOM 0 H LEU A 78 4.246 -6.841 0.892 1.00 0.00 H new ATOM 0 HA LEU A 78 5.450 -4.445 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.020 -5.137 -0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.817 -4.834 1.238 1.00 0.00 H new ATOM 0 HG LEU A 78 3.588 -2.452 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.391 -1.627 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.692 -2.830 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.137 -3.294 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.394 -1.742 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.060 -3.414 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.237 -3.030 1.158 1.00 0.00 H new ATOM 1174 N LYS A 79 5.054 -4.906 3.006 1.00 0.00 N ATOM 1175 CA LYS A 79 5.448 -4.411 4.321 1.00 0.00 C ATOM 1176 C LYS A 79 6.952 -4.169 4.385 1.00 0.00 C ATOM 1177 O LYS A 79 7.405 -3.142 4.891 1.00 0.00 O ATOM 1178 CB LYS A 79 5.033 -5.404 5.408 1.00 0.00 C ATOM 1179 CG LYS A 79 4.652 -4.742 6.723 1.00 0.00 C ATOM 1180 CD LYS A 79 5.192 -5.514 7.916 1.00 0.00 C ATOM 1181 CE LYS A 79 4.312 -5.335 9.141 1.00 0.00 C ATOM 1182 NZ LYS A 79 3.292 -6.414 9.257 1.00 0.00 N ATOM 0 H LYS A 79 4.560 -5.798 3.022 1.00 0.00 H new ATOM 0 HA LYS A 79 4.939 -3.462 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.188 -5.992 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.853 -6.100 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.038 -3.723 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.567 -4.673 6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.258 -6.573 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.204 -5.176 8.141 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.934 -5.326 10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.812 -4.368 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.713 -6.254 10.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.682 -6.407 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.768 -7.335 9.331 1.00 0.00 H new ATOM 1196 N GLU A 80 7.722 -5.121 3.869 1.00 0.00 N ATOM 1197 CA GLU A 80 9.176 -5.011 3.867 1.00 0.00 C ATOM 1198 C GLU A 80 9.630 -3.820 3.027 1.00 0.00 C ATOM 1199 O GLU A 80 10.664 -3.212 3.302 1.00 0.00 O ATOM 1200 CB GLU A 80 9.806 -6.297 3.331 1.00 0.00 C ATOM 1201 CG GLU A 80 9.631 -7.491 4.255 1.00 0.00 C ATOM 1202 CD GLU A 80 10.510 -8.662 3.866 1.00 0.00 C ATOM 1203 OE1 GLU A 80 11.667 -8.718 4.333 1.00 0.00 O ATOM 1204 OE2 GLU A 80 10.041 -9.526 3.095 1.00 0.00 O ATOM 0 H GLU A 80 7.363 -5.977 3.447 1.00 0.00 H new ATOM 0 HA GLU A 80 9.505 -4.855 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.366 -6.531 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.870 -6.129 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.862 -7.192 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.587 -7.805 4.243 1.00 0.00 H new ATOM 1211 N LYS A 81 8.848 -3.492 2.003 1.00 0.00 N ATOM 1212 CA LYS A 81 9.170 -2.375 1.123 1.00 0.00 C ATOM 1213 C LYS A 81 8.946 -1.042 1.831 1.00 0.00 C ATOM 1214 O LYS A 81 9.698 -0.088 1.630 1.00 0.00 O ATOM 1215 CB LYS A 81 8.322 -2.439 -0.148 1.00 0.00 C ATOM 1216 CG LYS A 81 8.776 -3.508 -1.128 1.00 0.00 C ATOM 1217 CD LYS A 81 7.902 -3.532 -2.372 1.00 0.00 C ATOM 1218 CE LYS A 81 8.490 -2.676 -3.482 1.00 0.00 C ATOM 1219 NZ LYS A 81 8.296 -3.294 -4.823 1.00 0.00 N ATOM 0 H LYS A 81 7.987 -3.984 1.763 1.00 0.00 H new ATOM 0 HA LYS A 81 10.223 -2.450 0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.284 -2.627 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.350 -1.468 -0.643 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.812 -3.325 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 81 8.747 -4.484 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.793 -4.559 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.904 -3.172 -2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.024 -1.691 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.555 -2.528 -3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.711 -2.679 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 8.762 -4.223 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.279 -3.412 -5.007 1.00 0.00 H new ATOM 1233 N ILE A 82 7.907 -0.984 2.657 1.00 0.00 N ATOM 1234 CA ILE A 82 7.585 0.233 3.393 1.00 0.00 C ATOM 1235 C ILE A 82 8.639 0.525 4.457 1.00 0.00 C ATOM 1236 O ILE A 82 9.059 1.669 4.631 1.00 0.00 O ATOM 1237 CB ILE A 82 6.202 0.135 4.065 1.00 0.00 C ATOM 1238 CG1 ILE A 82 5.141 -0.276 3.042 1.00 0.00 C ATOM 1239 CG2 ILE A 82 5.830 1.461 4.714 1.00 0.00 C ATOM 1240 CD1 ILE A 82 3.916 -0.911 3.662 1.00 0.00 C ATOM 0 H ILE A 82 7.274 -1.764 2.834 1.00 0.00 H new ATOM 0 HA ILE A 82 7.569 1.047 2.669 1.00 0.00 H new ATOM 0 HB ILE A 82 6.248 -0.628 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.836 0.603 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.584 -0.976 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.850 1.374 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.573 1.718 5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.800 2.242 3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.207 -1.176 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.208 -1.809 4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.449 -0.206 4.349 1.00 0.00 H new ATOM 1252 N GLN A 83 9.062 -0.516 5.167 1.00 0.00 N ATOM 1253 CA GLN A 83 10.067 -0.369 6.212 1.00 0.00 C ATOM 1254 C GLN A 83 11.394 0.101 5.625 1.00 0.00 C ATOM 1255 O GLN A 83 12.141 0.840 6.266 1.00 0.00 O ATOM 1256 CB GLN A 83 10.265 -1.694 6.950 1.00 0.00 C ATOM 1257 CG GLN A 83 8.967 -2.328 7.422 1.00 0.00 C ATOM 1258 CD GLN A 83 8.698 -2.080 8.894 1.00 0.00 C ATOM 1259 OE1 GLN A 83 9.621 -1.855 9.676 1.00 0.00 O ATOM 1260 NE2 GLN A 83 7.427 -2.120 9.278 1.00 0.00 N ATOM 0 H GLN A 83 8.724 -1.470 5.037 1.00 0.00 H new ATOM 0 HA GLN A 83 9.714 0.382 6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.783 -2.393 6.293 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.912 -1.527 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.139 -1.933 6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 83 9.004 -3.402 7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.694 -2.310 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.184 -1.961 10.256 1.00 0.00 H new ATOM 1269 N ARG A 84 11.681 -0.334 4.403 1.00 0.00 N ATOM 1270 CA ARG A 84 12.917 0.042 3.728 1.00 0.00 C ATOM 1271 C ARG A 84 12.846 1.482 3.228 1.00 0.00 C ATOM 1272 O ARG A 84 13.823 2.228 3.311 1.00 0.00 O ATOM 1273 CB ARG A 84 13.193 -0.907 2.559 1.00 0.00 C ATOM 1274 CG ARG A 84 14.240 -1.965 2.870 1.00 0.00 C ATOM 1275 CD ARG A 84 15.402 -1.907 1.889 1.00 0.00 C ATOM 1276 NE ARG A 84 14.958 -2.059 0.505 1.00 0.00 N ATOM 1277 CZ ARG A 84 15.685 -1.701 -0.550 1.00 0.00 C ATOM 1278 NH1 ARG A 84 16.889 -1.169 -0.386 1.00 0.00 N ATOM 1279 NH2 ARG A 84 15.206 -1.874 -1.775 1.00 0.00 N ATOM 0 H ARG A 84 11.074 -0.948 3.860 1.00 0.00 H new ATOM 0 HA ARG A 84 13.733 -0.033 4.446 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.263 -1.400 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.521 -0.324 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.612 -1.823 3.885 1.00 0.00 H new ATOM 0 HG3 ARG A 84 13.782 -2.953 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.923 -0.956 2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.118 -2.693 2.128 1.00 0.00 H new ATOM 0 HE ARG A 84 14.037 -2.463 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.263 -1.032 0.553 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.441 -0.897 -1.199 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.280 -2.281 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.763 -1.600 -2.584 1.00 0.00 H new ATOM 1293 N TRP A 85 11.684 1.867 2.710 1.00 0.00 N ATOM 1294 CA TRP A 85 11.485 3.217 2.197 1.00 0.00 C ATOM 1295 C TRP A 85 11.377 4.223 3.338 1.00 0.00 C ATOM 1296 O TRP A 85 12.027 5.268 3.320 1.00 0.00 O ATOM 1297 CB TRP A 85 10.226 3.275 1.330 1.00 0.00 C ATOM 1298 CG TRP A 85 9.963 4.631 0.749 1.00 0.00 C ATOM 1299 CD1 TRP A 85 10.592 5.200 -0.321 1.00 0.00 C ATOM 1300 CD2 TRP A 85 9.004 5.590 1.209 1.00 0.00 C ATOM 1301 NE1 TRP A 85 10.081 6.454 -0.556 1.00 0.00 N ATOM 1302 CE2 TRP A 85 9.105 6.716 0.370 1.00 0.00 C ATOM 1303 CE3 TRP A 85 8.069 5.605 2.247 1.00 0.00 C ATOM 1304 CZ2 TRP A 85 8.306 7.844 0.538 1.00 0.00 C ATOM 1305 CZ3 TRP A 85 7.277 6.725 2.414 1.00 0.00 C ATOM 1306 CH2 TRP A 85 7.399 7.831 1.563 1.00 0.00 C ATOM 0 H TRP A 85 10.866 1.263 2.635 1.00 0.00 H new ATOM 0 HA TRP A 85 12.350 3.478 1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 85 10.319 2.553 0.519 1.00 0.00 H new ATOM 0 HB3 TRP A 85 9.367 2.972 1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 85 11.376 4.733 -0.898 1.00 0.00 H new ATOM 0 HE1 TRP A 85 10.379 7.087 -1.298 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.967 4.756 2.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 8.399 8.698 -0.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.552 6.748 3.214 1.00 0.00 H new ATOM 0 HH2 TRP A 85 6.764 8.691 1.719 1.00 0.00 H new ATOM 1317 N LEU A 86 10.553 3.901 4.329 1.00 0.00 N ATOM 1318 CA LEU A 86 10.358 4.777 5.480 1.00 0.00 C ATOM 1319 C LEU A 86 11.683 5.064 6.179 1.00 0.00 C ATOM 1320 O LEU A 86 11.872 6.134 6.758 1.00 0.00 O ATOM 1321 CB LEU A 86 9.373 4.147 6.466 1.00 0.00 C ATOM 1322 CG LEU A 86 7.902 4.490 6.220 1.00 0.00 C ATOM 1323 CD1 LEU A 86 7.004 3.682 7.144 1.00 0.00 C ATOM 1324 CD2 LEU A 86 7.666 5.980 6.414 1.00 0.00 C ATOM 0 H LEU A 86 10.009 3.039 4.359 1.00 0.00 H new ATOM 0 HA LEU A 86 9.948 5.721 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.489 3.064 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.640 4.462 7.475 1.00 0.00 H new ATOM 0 HG LEU A 86 7.654 4.232 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.962 3.939 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.155 2.618 6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.251 3.909 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.615 6.208 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.930 6.260 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.283 6.541 5.712 1.00 0.00 H new ATOM 1336 N ALA A 87 12.598 4.101 6.122 1.00 0.00 N ATOM 1337 CA ALA A 87 13.904 4.251 6.750 1.00 0.00 C ATOM 1338 C ALA A 87 14.888 4.944 5.814 1.00 0.00 C ATOM 1339 O ALA A 87 15.807 5.631 6.260 1.00 0.00 O ATOM 1340 CB ALA A 87 14.444 2.893 7.174 1.00 0.00 C ATOM 0 H ALA A 87 12.458 3.209 5.647 1.00 0.00 H new ATOM 0 HA ALA A 87 13.784 4.876 7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.420 3.020 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.757 2.434 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.542 2.251 6.299 1.00 0.00 H new ATOM 1346 N GLU A 88 14.691 4.758 4.511 1.00 0.00 N ATOM 1347 CA GLU A 88 15.562 5.366 3.513 1.00 0.00 C ATOM 1348 C GLU A 88 15.206 6.835 3.299 1.00 0.00 C ATOM 1349 O GLU A 88 16.087 7.684 3.169 1.00 0.00 O ATOM 1350 CB GLU A 88 15.462 4.607 2.189 1.00 0.00 C ATOM 1351 CG GLU A 88 16.401 3.415 2.098 1.00 0.00 C ATOM 1352 CD GLU A 88 16.733 3.042 0.667 1.00 0.00 C ATOM 1353 OE1 GLU A 88 16.776 3.951 -0.189 1.00 0.00 O ATOM 1354 OE2 GLU A 88 16.951 1.841 0.402 1.00 0.00 O ATOM 0 H GLU A 88 13.936 4.192 4.124 1.00 0.00 H new ATOM 0 HA GLU A 88 16.587 5.310 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.437 4.262 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.678 5.293 1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.323 3.642 2.634 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.945 2.559 2.596 1.00 0.00 H new ATOM 1361 N ARG A 89 13.909 7.126 3.264 1.00 0.00 N ATOM 1362 CA ARG A 89 13.439 8.491 3.066 1.00 0.00 C ATOM 1363 C ARG A 89 13.917 9.401 4.194 1.00 0.00 C ATOM 1364 O ARG A 89 14.141 10.595 3.989 1.00 0.00 O ATOM 1365 CB ARG A 89 11.910 8.521 2.981 1.00 0.00 C ATOM 1366 CG ARG A 89 11.217 8.139 4.280 1.00 0.00 C ATOM 1367 CD ARG A 89 9.784 8.645 4.315 1.00 0.00 C ATOM 1368 NE ARG A 89 9.375 9.036 5.662 1.00 0.00 N ATOM 1369 CZ ARG A 89 9.917 10.047 6.338 1.00 0.00 C ATOM 1370 NH1 ARG A 89 10.888 10.773 5.795 1.00 0.00 N ATOM 1371 NH2 ARG A 89 9.489 10.334 7.560 1.00 0.00 N ATOM 0 H ARG A 89 13.166 6.435 3.370 1.00 0.00 H new ATOM 0 HA ARG A 89 13.854 8.858 2.128 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.591 9.522 2.690 1.00 0.00 H new ATOM 0 HB3 ARG A 89 11.585 7.841 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 89 11.224 7.055 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.770 8.551 5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.684 9.498 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.116 7.868 3.944 1.00 0.00 H new ATOM 0 HE ARG A 89 8.630 8.503 6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.222 10.557 4.856 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.300 11.546 6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.744 9.780 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.905 11.109 8.077 1.00 0.00 H new ATOM 1385 N LYS A 90 14.071 8.829 5.383 1.00 0.00 N ATOM 1386 CA LYS A 90 14.523 9.588 6.544 1.00 0.00 C ATOM 1387 C LYS A 90 15.997 9.957 6.411 1.00 0.00 C ATOM 1388 O LYS A 90 16.838 9.488 7.177 1.00 0.00 O ATOM 1389 CB LYS A 90 14.297 8.783 7.825 1.00 0.00 C ATOM 1390 CG LYS A 90 12.858 8.806 8.312 1.00 0.00 C ATOM 1391 CD LYS A 90 12.753 8.357 9.761 1.00 0.00 C ATOM 1392 CE LYS A 90 13.224 9.443 10.715 1.00 0.00 C ATOM 1393 NZ LYS A 90 12.275 10.589 10.765 1.00 0.00 N ATOM 0 H LYS A 90 13.890 7.843 5.569 1.00 0.00 H new ATOM 0 HA LYS A 90 13.941 10.508 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.597 7.749 7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.944 9.176 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.455 9.814 8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.250 8.156 7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.720 8.095 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.350 7.457 9.909 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.339 9.023 11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.206 9.799 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.477 11.170 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.384 11.168 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.300 10.230 10.819 1.00 0.00 H new ATOM 1407 N GLN A 91 16.303 10.802 5.431 1.00 0.00 N ATOM 1408 CA GLN A 91 17.676 11.234 5.197 1.00 0.00 C ATOM 1409 C GLN A 91 17.925 12.608 5.813 1.00 0.00 C ATOM 1410 O GLN A 91 17.027 13.206 6.405 1.00 0.00 O ATOM 1411 CB GLN A 91 17.972 11.270 3.696 1.00 0.00 C ATOM 1412 CG GLN A 91 19.236 10.521 3.308 1.00 0.00 C ATOM 1413 CD GLN A 91 19.348 10.301 1.812 1.00 0.00 C ATOM 1414 OE1 GLN A 91 20.128 10.969 1.132 1.00 0.00 O ATOM 1415 NE2 GLN A 91 18.569 9.360 1.291 1.00 0.00 N ATOM 0 H GLN A 91 15.619 11.200 4.787 1.00 0.00 H new ATOM 0 HA GLN A 91 18.345 10.517 5.673 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.126 10.843 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 91 18.062 12.308 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 91 20.106 11.079 3.655 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.253 9.556 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 91 17.937 8.830 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 91 18.602 9.167 0.290 1.00 0.00 H new ATOM 1424 N GLN A 92 19.151 13.102 5.669 1.00 0.00 N ATOM 1425 CA GLN A 92 19.518 14.405 6.212 1.00 0.00 C ATOM 1426 C GLN A 92 19.333 14.435 7.726 1.00 0.00 C ATOM 1427 O GLN A 92 19.029 15.478 8.303 1.00 0.00 O ATOM 1428 CB GLN A 92 18.680 15.507 5.562 1.00 0.00 C ATOM 1429 CG GLN A 92 18.565 15.373 4.052 1.00 0.00 C ATOM 1430 CD GLN A 92 17.718 16.469 3.433 1.00 0.00 C ATOM 1431 OE1 GLN A 92 17.013 17.194 4.134 1.00 0.00 O ATOM 1432 NE2 GLN A 92 17.785 16.593 2.112 1.00 0.00 N ATOM 0 H GLN A 92 19.906 12.620 5.181 1.00 0.00 H new ATOM 0 HA GLN A 92 20.570 14.580 5.989 1.00 0.00 H new ATOM 0 HB2 GLN A 92 17.680 15.496 5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 92 19.120 16.475 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 92 19.562 15.397 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.132 14.403 3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 92 18.384 15.969 1.571 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.238 17.312 1.639 1.00 0.00 H new ATOM 1441 N SER A 93 19.520 13.284 8.363 1.00 0.00 N ATOM 1442 CA SER A 93 19.374 13.179 9.810 1.00 0.00 C ATOM 1443 C SER A 93 20.604 13.731 10.523 1.00 0.00 C ATOM 1444 O SER A 93 21.734 13.347 10.221 1.00 0.00 O ATOM 1445 CB SER A 93 19.147 11.721 10.216 1.00 0.00 C ATOM 1446 OG SER A 93 20.278 10.923 9.911 1.00 0.00 O ATOM 0 H SER A 93 19.773 12.411 7.900 1.00 0.00 H new ATOM 0 HA SER A 93 18.508 13.771 10.106 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.937 11.666 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.271 11.329 9.699 1.00 0.00 H new ATOM 0 HG SER A 93 21.082 11.483 9.905 1.00 0.00 H new ATOM 1452 N GLY A 94 20.375 14.635 11.470 1.00 0.00 N ATOM 1453 CA GLY A 94 21.474 15.226 12.212 1.00 0.00 C ATOM 1454 C GLY A 94 22.301 14.189 12.949 1.00 0.00 C ATOM 1455 O GLY A 94 21.797 13.116 13.283 1.00 0.00 O ATOM 0 H GLY A 94 19.449 14.969 11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 94 22.116 15.778 11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 94 21.079 15.947 12.928 1.00 0.00 H new ATOM 1459 N PRO A 95 23.584 14.483 13.222 1.00 0.00 N ATOM 1460 CA PRO A 95 24.472 13.556 13.930 1.00 0.00 C ATOM 1461 C PRO A 95 24.079 13.381 15.393 1.00 0.00 C ATOM 1462 O PRO A 95 24.518 14.138 16.258 1.00 0.00 O ATOM 1463 CB PRO A 95 25.845 14.223 13.821 1.00 0.00 C ATOM 1464 CG PRO A 95 25.549 15.672 13.641 1.00 0.00 C ATOM 1465 CD PRO A 95 24.266 15.739 12.862 1.00 0.00 C ATOM 0 HA PRO A 95 24.437 12.553 13.504 1.00 0.00 H new ATOM 0 HB2 PRO A 95 26.442 14.049 14.716 1.00 0.00 H new ATOM 0 HB3 PRO A 95 26.412 13.827 12.978 1.00 0.00 H new ATOM 0 HG2 PRO A 95 25.447 16.172 14.604 1.00 0.00 H new ATOM 0 HG3 PRO A 95 26.357 16.172 13.106 1.00 0.00 H new ATOM 0 HD2 PRO A 95 23.674 16.612 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 95 24.450 15.804 11.790 1.00 0.00 H new ATOM 1473 N SER A 96 23.248 12.379 15.662 1.00 0.00 N ATOM 1474 CA SER A 96 22.796 12.105 17.020 1.00 0.00 C ATOM 1475 C SER A 96 22.548 10.613 17.220 1.00 0.00 C ATOM 1476 O SER A 96 21.522 10.082 16.795 1.00 0.00 O ATOM 1477 CB SER A 96 21.520 12.892 17.323 1.00 0.00 C ATOM 1478 OG SER A 96 21.820 14.146 17.910 1.00 0.00 O ATOM 0 H SER A 96 22.874 11.744 14.957 1.00 0.00 H new ATOM 0 HA SER A 96 23.580 12.420 17.708 1.00 0.00 H new ATOM 0 HB2 SER A 96 20.956 13.044 16.403 1.00 0.00 H new ATOM 0 HB3 SER A 96 20.885 12.315 17.995 1.00 0.00 H new ATOM 0 HG SER A 96 22.678 14.471 17.567 1.00 0.00 H new ATOM 1484 N SER A 97 23.494 9.943 17.870 1.00 0.00 N ATOM 1485 CA SER A 97 23.377 8.512 18.127 1.00 0.00 C ATOM 1486 C SER A 97 22.316 8.234 19.187 1.00 0.00 C ATOM 1487 O SER A 97 21.657 7.195 19.163 1.00 0.00 O ATOM 1488 CB SER A 97 24.724 7.942 18.576 1.00 0.00 C ATOM 1489 OG SER A 97 25.766 8.347 17.704 1.00 0.00 O ATOM 0 H SER A 97 24.350 10.368 18.228 1.00 0.00 H new ATOM 0 HA SER A 97 23.074 8.025 17.200 1.00 0.00 H new ATOM 0 HB2 SER A 97 24.944 8.276 19.590 1.00 0.00 H new ATOM 0 HB3 SER A 97 24.671 6.854 18.603 1.00 0.00 H new ATOM 0 HG SER A 97 26.616 7.971 18.014 1.00 0.00 H new ATOM 1495 N GLY A 98 22.155 9.170 20.116 1.00 0.00 N ATOM 1496 CA GLY A 98 21.172 9.008 21.171 1.00 0.00 C ATOM 1497 C GLY A 98 19.890 9.766 20.891 1.00 0.00 C ATOM 1498 O GLY A 98 18.966 9.172 20.297 1.00 0.00 O ATOM 1499 OXT GLY A 98 19.808 10.953 21.268 1.00 0.00 O ATOM 0 H GLY A 98 22.688 10.039 20.157 1.00 0.00 H new ATOM 0 HA2 GLY A 98 20.945 7.949 21.292 1.00 0.00 H new ATOM 0 HA3 GLY A 98 21.596 9.353 22.114 1.00 0.00 H new TER 1503 GLY A 98