USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 591 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+ -119:sc= 0.0875 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 28:sc= 0.788 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 HIS :FLIP no HE2:sc= 0.00142 F(o=-0.9,f=0.0014) USER MOD Single : A 15 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 TYR OH : rot 32:sc= 0.879 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.186 (180deg=-0.784) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.653 USER MOD Single : A 32 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.2!) USER MOD Single : A 38 MET CE :methyl -154:sc= -1.38 (180deg=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00639) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc=-0.00518 USER MOD Single : A 57 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.11) USER MOD Single : A 60 HIS : no HD1:sc= -1.03 X(o=-1,f=-1.5) USER MOD Single : A 62 HIS : no HD1:sc= -0.778 K(o=-0.78,f=-1.4) USER MOD Single : A 70 ASN : amide:sc= -0.344 K(o=-0.34,f=-1.5) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.521 13.691 9.257 1.00 0.00 N ATOM 2 CA GLY A 1 19.938 12.411 9.612 1.00 0.00 C ATOM 3 C GLY A 1 19.930 11.435 8.452 1.00 0.00 C ATOM 4 O GLY A 1 20.207 11.812 7.314 1.00 0.00 O ATOM 0 H1 GLY A 1 21.357 13.868 9.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.803 13.679 8.256 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.822 14.445 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.496 11.979 10.442 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.917 12.565 9.960 1.00 0.00 H new ATOM 8 N SER A 2 19.614 10.177 8.741 1.00 0.00 N ATOM 9 CA SER A 2 19.576 9.142 7.714 1.00 0.00 C ATOM 10 C SER A 2 18.155 8.625 7.516 1.00 0.00 C ATOM 11 O SER A 2 17.245 8.972 8.269 1.00 0.00 O ATOM 12 CB SER A 2 20.504 7.986 8.091 1.00 0.00 C ATOM 13 OG SER A 2 21.861 8.393 8.068 1.00 0.00 O ATOM 0 H SER A 2 19.380 9.849 9.678 1.00 0.00 H new ATOM 0 HA SER A 2 19.917 9.582 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.248 7.619 9.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.358 7.157 7.398 1.00 0.00 H new ATOM 0 HG SER A 2 22.434 7.637 8.314 1.00 0.00 H new ATOM 19 N SER A 3 17.972 7.792 6.496 1.00 0.00 N ATOM 20 CA SER A 3 16.661 7.228 6.195 1.00 0.00 C ATOM 21 C SER A 3 16.795 5.959 5.359 1.00 0.00 C ATOM 22 O SER A 3 17.882 5.621 4.893 1.00 0.00 O ATOM 23 CB SER A 3 15.801 8.253 5.453 1.00 0.00 C ATOM 24 OG SER A 3 15.160 9.133 6.361 1.00 0.00 O ATOM 0 H SER A 3 18.715 7.493 5.864 1.00 0.00 H new ATOM 0 HA SER A 3 16.177 6.972 7.137 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.424 8.825 4.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.052 7.737 4.852 1.00 0.00 H new ATOM 0 HG SER A 3 15.697 9.208 7.178 1.00 0.00 H new ATOM 30 N GLY A 4 15.679 5.260 5.173 1.00 0.00 N ATOM 31 CA GLY A 4 15.691 4.036 4.394 1.00 0.00 C ATOM 32 C GLY A 4 16.318 2.878 5.144 1.00 0.00 C ATOM 33 O GLY A 4 16.511 2.947 6.358 1.00 0.00 O ATOM 0 H GLY A 4 14.767 5.520 5.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.670 3.775 4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.239 4.204 3.467 1.00 0.00 H new ATOM 37 N SER A 5 16.636 1.809 4.421 1.00 0.00 N ATOM 38 CA SER A 5 17.239 0.628 5.027 1.00 0.00 C ATOM 39 C SER A 5 16.559 0.287 6.349 1.00 0.00 C ATOM 40 O SER A 5 17.222 0.058 7.360 1.00 0.00 O ATOM 41 CB SER A 5 18.736 0.852 5.253 1.00 0.00 C ATOM 42 OG SER A 5 19.432 0.927 4.021 1.00 0.00 O ATOM 0 H SER A 5 16.486 1.737 3.415 1.00 0.00 H new ATOM 0 HA SER A 5 17.103 -0.210 4.343 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.888 1.772 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.142 0.039 5.855 1.00 0.00 H new ATOM 0 HG SER A 5 20.386 1.072 4.192 1.00 0.00 H new ATOM 48 N SER A 6 15.230 0.258 6.333 1.00 0.00 N ATOM 49 CA SER A 6 14.458 -0.050 7.532 1.00 0.00 C ATOM 50 C SER A 6 14.179 -1.547 7.628 1.00 0.00 C ATOM 51 O SER A 6 13.167 -2.035 7.126 1.00 0.00 O ATOM 52 CB SER A 6 13.140 0.727 7.529 1.00 0.00 C ATOM 53 OG SER A 6 13.372 2.124 7.562 1.00 0.00 O ATOM 0 H SER A 6 14.666 0.444 5.504 1.00 0.00 H new ATOM 0 HA SER A 6 15.046 0.249 8.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.566 0.471 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.540 0.434 8.390 1.00 0.00 H new ATOM 0 HG SER A 6 12.514 2.598 7.558 1.00 0.00 H new ATOM 59 N GLY A 7 15.085 -2.271 8.278 1.00 0.00 N ATOM 60 CA GLY A 7 14.919 -3.705 8.429 1.00 0.00 C ATOM 61 C GLY A 7 13.675 -4.065 9.217 1.00 0.00 C ATOM 62 O GLY A 7 13.566 -3.741 10.400 1.00 0.00 O ATOM 0 H GLY A 7 15.931 -1.890 8.703 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.867 -4.167 7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.795 -4.118 8.930 1.00 0.00 H new ATOM 66 N VAL A 8 12.734 -4.736 8.561 1.00 0.00 N ATOM 67 CA VAL A 8 11.491 -5.140 9.207 1.00 0.00 C ATOM 68 C VAL A 8 11.699 -6.376 10.074 1.00 0.00 C ATOM 69 O VAL A 8 12.626 -7.156 9.851 1.00 0.00 O ATOM 70 CB VAL A 8 10.389 -5.431 8.172 1.00 0.00 C ATOM 71 CG1 VAL A 8 10.726 -6.680 7.371 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.039 -5.576 8.858 1.00 0.00 C ATOM 0 H VAL A 8 12.809 -5.012 7.582 1.00 0.00 H new ATOM 0 HA VAL A 8 11.176 -4.308 9.836 1.00 0.00 H new ATOM 0 HB VAL A 8 10.331 -4.590 7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 8 9.936 -6.870 6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 8 11.672 -6.533 6.849 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.812 -7.532 8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.272 -5.781 8.112 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.080 -6.399 9.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.796 -4.652 9.383 1.00 0.00 H new ATOM 82 N HIS A 9 10.830 -6.551 11.065 1.00 0.00 N ATOM 83 CA HIS A 9 10.918 -7.694 11.966 1.00 0.00 C ATOM 84 C HIS A 9 9.608 -8.477 11.980 1.00 0.00 C ATOM 85 O HIS A 9 9.592 -9.684 11.741 1.00 0.00 O ATOM 86 CB HIS A 9 11.264 -7.230 13.381 1.00 0.00 C ATOM 87 CG HIS A 9 12.493 -6.378 13.449 1.00 0.00 C ATOM 88 ND1 HIS A 9 13.576 -6.321 12.639 1.00 0.00 N flip ATOM 89 CD2 HIS A 9 12.711 -5.447 14.443 1.00 0.00 C flip ATOM 90 CE1 HIS A 9 14.419 -5.366 13.152 1.00 0.00 C flip ATOM 91 NE2 HIS A 9 13.873 -4.854 14.240 1.00 0.00 N flip ATOM 0 H HIS A 9 10.057 -5.916 11.264 1.00 0.00 H new ATOM 0 HA HIS A 9 11.709 -8.350 11.604 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.421 -6.670 13.787 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.402 -8.104 14.017 1.00 0.00 H new ATOM 0 HD1 HIS A 9 13.736 -6.883 11.803 1.00 0.00 H new ATOM 0 HD2 HIS A 9 12.037 -5.236 15.260 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.373 -5.080 12.734 1.00 0.00 H new ATOM 100 N VAL A 10 8.512 -7.780 12.262 1.00 0.00 N ATOM 101 CA VAL A 10 7.197 -8.409 12.307 1.00 0.00 C ATOM 102 C VAL A 10 6.260 -7.799 11.272 1.00 0.00 C ATOM 103 O VAL A 10 5.820 -6.659 11.415 1.00 0.00 O ATOM 104 CB VAL A 10 6.559 -8.276 13.703 1.00 0.00 C ATOM 105 CG1 VAL A 10 6.649 -6.840 14.197 1.00 0.00 C ATOM 106 CG2 VAL A 10 5.113 -8.749 13.674 1.00 0.00 C ATOM 0 H VAL A 10 8.508 -6.780 12.463 1.00 0.00 H new ATOM 0 HA VAL A 10 7.344 -9.465 12.082 1.00 0.00 H new ATOM 0 HB VAL A 10 7.111 -8.909 14.398 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.193 -6.766 15.184 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.695 -6.541 14.257 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.123 -6.183 13.504 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.677 -8.648 14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.546 -8.144 12.966 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.078 -9.794 13.367 1.00 0.00 H new ATOM 116 N GLU A 11 5.959 -8.566 10.228 1.00 0.00 N ATOM 117 CA GLU A 11 5.074 -8.100 9.168 1.00 0.00 C ATOM 118 C GLU A 11 3.651 -7.917 9.688 1.00 0.00 C ATOM 119 O GLU A 11 2.962 -8.889 9.997 1.00 0.00 O ATOM 120 CB GLU A 11 5.078 -9.086 7.999 1.00 0.00 C ATOM 121 CG GLU A 11 6.317 -8.989 7.124 1.00 0.00 C ATOM 122 CD GLU A 11 7.493 -9.760 7.691 1.00 0.00 C ATOM 123 OE1 GLU A 11 7.854 -9.515 8.861 1.00 0.00 O ATOM 124 OE2 GLU A 11 8.052 -10.608 6.964 1.00 0.00 O ATOM 0 H GLU A 11 6.315 -9.512 10.094 1.00 0.00 H new ATOM 0 HA GLU A 11 5.443 -7.135 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.998 -10.100 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.195 -8.911 7.384 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.085 -9.368 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.595 -7.941 7.009 1.00 0.00 H new ATOM 131 N ASP A 12 3.218 -6.664 9.782 1.00 0.00 N ATOM 132 CA ASP A 12 1.878 -6.352 10.264 1.00 0.00 C ATOM 133 C ASP A 12 1.110 -5.525 9.238 1.00 0.00 C ATOM 134 O ASP A 12 1.612 -5.247 8.149 1.00 0.00 O ATOM 135 CB ASP A 12 1.953 -5.598 11.593 1.00 0.00 C ATOM 136 CG ASP A 12 2.044 -6.532 12.784 1.00 0.00 C ATOM 137 OD1 ASP A 12 2.471 -7.691 12.599 1.00 0.00 O ATOM 138 OD2 ASP A 12 1.689 -6.103 13.902 1.00 0.00 O ATOM 0 H ASP A 12 3.776 -5.848 9.531 1.00 0.00 H new ATOM 0 HA ASP A 12 1.347 -7.291 10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.821 -4.939 11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.072 -4.964 11.698 1.00 0.00 H new ATOM 143 N ALA A 13 -0.110 -5.135 9.593 1.00 0.00 N ATOM 144 CA ALA A 13 -0.946 -4.338 8.704 1.00 0.00 C ATOM 145 C ALA A 13 -1.205 -2.954 9.288 1.00 0.00 C ATOM 146 O ALA A 13 -0.724 -1.948 8.764 1.00 0.00 O ATOM 147 CB ALA A 13 -2.262 -5.054 8.435 1.00 0.00 C ATOM 0 H ALA A 13 -0.541 -5.358 10.490 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.414 -4.212 7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.877 -4.448 7.770 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.063 -6.018 7.967 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.790 -5.210 9.376 1.00 0.00 H new ATOM 153 N LEU A 14 -1.968 -2.908 10.374 1.00 0.00 N ATOM 154 CA LEU A 14 -2.292 -1.646 11.029 1.00 0.00 C ATOM 155 C LEU A 14 -1.048 -0.776 11.181 1.00 0.00 C ATOM 156 O LEU A 14 -1.119 0.450 11.094 1.00 0.00 O ATOM 157 CB LEU A 14 -2.917 -1.906 12.401 1.00 0.00 C ATOM 158 CG LEU A 14 -2.247 -2.987 13.250 1.00 0.00 C ATOM 159 CD1 LEU A 14 -1.088 -2.402 14.041 1.00 0.00 C ATOM 160 CD2 LEU A 14 -3.259 -3.635 14.183 1.00 0.00 C ATOM 0 H LEU A 14 -2.374 -3.731 10.820 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.010 -1.115 10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.909 -0.973 12.964 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.962 -2.182 12.256 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.854 -3.755 12.583 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.623 -3.186 14.639 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.352 -1.986 13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.457 -1.614 14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.765 -4.402 14.780 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.682 -2.878 14.843 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.056 -4.090 13.595 1.00 0.00 H new ATOM 172 N THR A 15 0.093 -1.419 11.408 1.00 0.00 N ATOM 173 CA THR A 15 1.353 -0.706 11.571 1.00 0.00 C ATOM 174 C THR A 15 1.555 0.316 10.458 1.00 0.00 C ATOM 175 O THR A 15 1.928 1.461 10.713 1.00 0.00 O ATOM 176 CB THR A 15 2.550 -1.675 11.585 1.00 0.00 C ATOM 177 OG1 THR A 15 2.444 -2.569 12.699 1.00 0.00 O ATOM 178 CG2 THR A 15 3.864 -0.912 11.664 1.00 0.00 C ATOM 0 H THR A 15 0.170 -2.433 11.483 1.00 0.00 H new ATOM 0 HA THR A 15 1.301 -0.190 12.530 1.00 0.00 H new ATOM 0 HB THR A 15 2.536 -2.247 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.279 -3.073 12.794 1.00 0.00 H new ATOM 0 HG21 THR A 15 4.695 -1.618 11.673 1.00 0.00 H new ATOM 0 HG22 THR A 15 3.955 -0.254 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 15 3.885 -0.316 12.577 1.00 0.00 H new ATOM 186 N TYR A 16 1.305 -0.105 9.223 1.00 0.00 N ATOM 187 CA TYR A 16 1.461 0.774 8.070 1.00 0.00 C ATOM 188 C TYR A 16 0.471 1.933 8.131 1.00 0.00 C ATOM 189 O TYR A 16 0.845 3.094 7.967 1.00 0.00 O ATOM 190 CB TYR A 16 1.264 -0.013 6.773 1.00 0.00 C ATOM 191 CG TYR A 16 1.212 0.859 5.538 1.00 0.00 C ATOM 192 CD1 TYR A 16 2.377 1.230 4.877 1.00 0.00 C ATOM 193 CD2 TYR A 16 0.000 1.312 5.034 1.00 0.00 C ATOM 194 CE1 TYR A 16 2.335 2.027 3.749 1.00 0.00 C ATOM 195 CE2 TYR A 16 -0.052 2.108 3.906 1.00 0.00 C ATOM 196 CZ TYR A 16 1.118 2.462 3.267 1.00 0.00 C ATOM 197 OH TYR A 16 1.071 3.256 2.144 1.00 0.00 O ATOM 0 H TYR A 16 0.994 -1.049 8.995 1.00 0.00 H new ATOM 0 HA TYR A 16 2.471 1.182 8.090 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.077 -0.731 6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.339 -0.586 6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.331 0.890 5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.918 1.037 5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.250 2.308 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.003 2.451 3.527 1.00 0.00 H new ATOM 0 HH TYR A 16 1.810 3.020 1.545 1.00 0.00 H new ATOM 207 N LEU A 17 -0.796 1.608 8.367 1.00 0.00 N ATOM 208 CA LEU A 17 -1.842 2.621 8.451 1.00 0.00 C ATOM 209 C LEU A 17 -1.473 3.704 9.459 1.00 0.00 C ATOM 210 O LEU A 17 -1.673 4.893 9.210 1.00 0.00 O ATOM 211 CB LEU A 17 -3.173 1.976 8.842 1.00 0.00 C ATOM 212 CG LEU A 17 -4.040 1.473 7.687 1.00 0.00 C ATOM 213 CD1 LEU A 17 -5.299 0.804 8.217 1.00 0.00 C ATOM 214 CD2 LEU A 17 -4.396 2.617 6.749 1.00 0.00 C ATOM 0 H LEU A 17 -1.123 0.652 8.503 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.944 3.085 7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.966 1.137 9.507 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.751 2.701 9.415 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.469 0.734 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.904 0.452 7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.024 -0.042 8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.873 1.521 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.013 2.240 5.933 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.947 3.380 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.483 3.052 6.342 1.00 0.00 H new ATOM 226 N ASP A 18 -0.931 3.285 10.598 1.00 0.00 N ATOM 227 CA ASP A 18 -0.530 4.219 11.643 1.00 0.00 C ATOM 228 C ASP A 18 0.043 5.497 11.040 1.00 0.00 C ATOM 229 O ASP A 18 -0.292 6.601 11.469 1.00 0.00 O ATOM 230 CB ASP A 18 0.501 3.570 12.568 1.00 0.00 C ATOM 231 CG ASP A 18 0.486 4.169 13.961 1.00 0.00 C ATOM 232 OD1 ASP A 18 -0.583 4.144 14.606 1.00 0.00 O ATOM 233 OD2 ASP A 18 1.544 4.662 14.406 1.00 0.00 O ATOM 0 H ASP A 18 -0.760 2.304 10.820 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.416 4.478 12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.304 2.500 12.633 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.495 3.685 12.137 1.00 0.00 H new ATOM 238 N GLN A 19 0.908 5.338 10.043 1.00 0.00 N ATOM 239 CA GLN A 19 1.529 6.480 9.382 1.00 0.00 C ATOM 240 C GLN A 19 0.493 7.294 8.615 1.00 0.00 C ATOM 241 O GLN A 19 0.509 8.525 8.643 1.00 0.00 O ATOM 242 CB GLN A 19 2.631 6.009 8.432 1.00 0.00 C ATOM 243 CG GLN A 19 3.936 5.671 9.134 1.00 0.00 C ATOM 244 CD GLN A 19 4.830 6.881 9.321 1.00 0.00 C ATOM 245 OE1 GLN A 19 5.470 7.346 8.378 1.00 0.00 O ATOM 246 NE2 GLN A 19 4.878 7.399 10.543 1.00 0.00 N ATOM 0 H GLN A 19 1.194 4.431 9.676 1.00 0.00 H new ATOM 0 HA GLN A 19 1.969 7.117 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.281 5.130 7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.817 6.787 7.691 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.717 5.232 10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.469 4.916 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.331 6.981 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.462 8.214 10.729 1.00 0.00 H new ATOM 255 N VAL A 20 -0.408 6.599 7.928 1.00 0.00 N ATOM 256 CA VAL A 20 -1.453 7.257 7.152 1.00 0.00 C ATOM 257 C VAL A 20 -2.395 8.045 8.056 1.00 0.00 C ATOM 258 O VAL A 20 -2.806 9.157 7.725 1.00 0.00 O ATOM 259 CB VAL A 20 -2.273 6.239 6.337 1.00 0.00 C ATOM 260 CG1 VAL A 20 -3.379 6.941 5.565 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.368 5.458 5.397 1.00 0.00 C ATOM 0 H VAL A 20 -0.435 5.580 7.893 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.954 7.942 6.466 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.736 5.534 7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.948 6.206 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.042 7.452 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.941 7.669 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.963 4.743 4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.875 6.147 4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.616 4.923 5.977 1.00 0.00 H new ATOM 271 N LYS A 21 -2.733 7.461 9.201 1.00 0.00 N ATOM 272 CA LYS A 21 -3.625 8.108 10.156 1.00 0.00 C ATOM 273 C LYS A 21 -3.043 9.434 10.632 1.00 0.00 C ATOM 274 O LYS A 21 -3.710 10.468 10.587 1.00 0.00 O ATOM 275 CB LYS A 21 -3.876 7.189 11.354 1.00 0.00 C ATOM 276 CG LYS A 21 -4.855 7.761 12.364 1.00 0.00 C ATOM 277 CD LYS A 21 -4.144 8.586 13.423 1.00 0.00 C ATOM 278 CE LYS A 21 -4.915 8.594 14.734 1.00 0.00 C ATOM 279 NZ LYS A 21 -5.044 7.227 15.310 1.00 0.00 N ATOM 0 H LYS A 21 -2.402 6.540 9.490 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.572 8.307 9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.255 6.232 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.928 6.989 11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.589 8.382 11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.403 6.949 12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.145 8.183 13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.020 9.609 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.409 9.243 15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.907 9.014 14.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.157 7.294 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.875 6.755 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.190 6.676 15.091 1.00 0.00 H new ATOM 293 N ILE A 22 -1.795 9.398 11.088 1.00 0.00 N ATOM 294 CA ILE A 22 -1.123 10.598 11.570 1.00 0.00 C ATOM 295 C ILE A 22 -1.062 11.668 10.485 1.00 0.00 C ATOM 296 O ILE A 22 -1.589 12.768 10.653 1.00 0.00 O ATOM 297 CB ILE A 22 0.307 10.288 12.050 1.00 0.00 C ATOM 298 CG1 ILE A 22 0.277 9.259 13.182 1.00 0.00 C ATOM 299 CG2 ILE A 22 1.001 11.564 12.505 1.00 0.00 C ATOM 300 CD1 ILE A 22 1.608 8.580 13.417 1.00 0.00 C ATOM 0 H ILE A 22 -1.229 8.551 11.134 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.708 10.970 12.411 1.00 0.00 H new ATOM 0 HB ILE A 22 0.871 9.868 11.217 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.038 9.752 14.102 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.473 8.502 12.954 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.011 11.329 12.841 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.050 12.268 11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.440 12.011 13.326 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.512 7.864 14.233 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.915 8.058 12.511 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.357 9.328 13.677 1.00 0.00 H new ATOM 312 N ARG A 23 -0.418 11.337 9.370 1.00 0.00 N ATOM 313 CA ARG A 23 -0.289 12.268 8.257 1.00 0.00 C ATOM 314 C ARG A 23 -1.648 12.844 7.869 1.00 0.00 C ATOM 315 O ARG A 23 -1.799 14.056 7.713 1.00 0.00 O ATOM 316 CB ARG A 23 0.343 11.571 7.051 1.00 0.00 C ATOM 317 CG ARG A 23 0.407 12.443 5.807 1.00 0.00 C ATOM 318 CD ARG A 23 1.445 13.545 5.952 1.00 0.00 C ATOM 319 NE ARG A 23 2.773 13.103 5.537 1.00 0.00 N ATOM 320 CZ ARG A 23 3.752 13.934 5.198 1.00 0.00 C ATOM 321 NH1 ARG A 23 3.552 15.245 5.224 1.00 0.00 N ATOM 322 NH2 ARG A 23 4.934 13.456 4.831 1.00 0.00 N ATOM 0 H ARG A 23 0.022 10.430 9.214 1.00 0.00 H new ATOM 0 HA ARG A 23 0.357 13.087 8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.352 11.253 7.314 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.226 10.670 6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.648 11.826 4.941 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.572 12.886 5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.146 14.406 5.354 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.481 13.875 6.990 1.00 0.00 H new ATOM 0 HE ARG A 23 2.959 12.101 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.645 15.617 5.505 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.305 15.881 4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.092 12.449 4.809 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.685 14.096 4.571 1.00 0.00 H new ATOM 336 N PHE A 24 -2.635 11.967 7.716 1.00 0.00 N ATOM 337 CA PHE A 24 -3.981 12.387 7.345 1.00 0.00 C ATOM 338 C PHE A 24 -4.851 12.580 8.584 1.00 0.00 C ATOM 339 O PHE A 24 -6.023 12.206 8.597 1.00 0.00 O ATOM 340 CB PHE A 24 -4.622 11.357 6.413 1.00 0.00 C ATOM 341 CG PHE A 24 -4.078 11.395 5.014 1.00 0.00 C ATOM 342 CD1 PHE A 24 -4.417 12.426 4.153 1.00 0.00 C ATOM 343 CD2 PHE A 24 -3.229 10.399 4.559 1.00 0.00 C ATOM 344 CE1 PHE A 24 -3.919 12.463 2.864 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.727 10.431 3.271 1.00 0.00 C ATOM 346 CZ PHE A 24 -3.072 11.465 2.423 1.00 0.00 C ATOM 0 H PHE A 24 -2.528 10.961 7.843 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.906 13.341 6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.470 10.360 6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.698 11.528 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.078 13.210 4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.956 9.588 5.218 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.192 13.272 2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.066 9.648 2.929 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.680 11.493 1.417 1.00 0.00 H new ATOM 356 N GLY A 25 -4.267 13.166 9.625 1.00 0.00 N ATOM 357 CA GLY A 25 -5.002 13.397 10.855 1.00 0.00 C ATOM 358 C GLY A 25 -6.322 14.103 10.617 1.00 0.00 C ATOM 359 O GLY A 25 -7.389 13.507 10.765 1.00 0.00 O ATOM 0 H GLY A 25 -3.298 13.485 9.638 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.187 12.443 11.349 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.391 13.993 11.533 1.00 0.00 H new ATOM 363 N SER A 26 -6.251 15.378 10.248 1.00 0.00 N ATOM 364 CA SER A 26 -7.450 16.169 9.994 1.00 0.00 C ATOM 365 C SER A 26 -7.930 15.982 8.558 1.00 0.00 C ATOM 366 O SER A 26 -8.439 16.915 7.936 1.00 0.00 O ATOM 367 CB SER A 26 -7.177 17.650 10.264 1.00 0.00 C ATOM 368 OG SER A 26 -6.891 17.874 11.634 1.00 0.00 O ATOM 0 H SER A 26 -5.376 15.886 10.118 1.00 0.00 H new ATOM 0 HA SER A 26 -8.233 15.823 10.669 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.338 17.985 9.654 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.043 18.243 9.968 1.00 0.00 H new ATOM 0 HG SER A 26 -6.718 18.828 11.781 1.00 0.00 H new ATOM 374 N ASP A 27 -7.765 14.770 8.039 1.00 0.00 N ATOM 375 CA ASP A 27 -8.182 14.459 6.677 1.00 0.00 C ATOM 376 C ASP A 27 -9.158 13.287 6.662 1.00 0.00 C ATOM 377 O ASP A 27 -8.789 12.143 6.394 1.00 0.00 O ATOM 378 CB ASP A 27 -6.965 14.136 5.809 1.00 0.00 C ATOM 379 CG ASP A 27 -6.379 15.370 5.152 1.00 0.00 C ATOM 380 OD1 ASP A 27 -5.968 16.295 5.884 1.00 0.00 O ATOM 381 OD2 ASP A 27 -6.330 15.411 3.905 1.00 0.00 O ATOM 0 H ASP A 27 -7.346 13.987 8.541 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.687 15.335 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.202 13.657 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.251 13.419 5.039 1.00 0.00 H new ATOM 386 N PRO A 28 -10.435 13.575 6.956 1.00 0.00 N ATOM 387 CA PRO A 28 -11.490 12.559 6.984 1.00 0.00 C ATOM 388 C PRO A 28 -11.827 12.035 5.592 1.00 0.00 C ATOM 389 O PRO A 28 -12.007 10.834 5.397 1.00 0.00 O ATOM 390 CB PRO A 28 -12.687 13.305 7.579 1.00 0.00 C ATOM 391 CG PRO A 28 -12.438 14.738 7.254 1.00 0.00 C ATOM 392 CD PRO A 28 -10.946 14.917 7.285 1.00 0.00 C ATOM 0 HA PRO A 28 -11.193 11.679 7.555 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -13.625 12.958 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.756 13.149 8.656 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.841 14.991 6.273 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.925 15.392 7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.615 15.662 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.601 15.249 8.264 1.00 0.00 H new ATOM 400 N ALA A 29 -11.911 12.945 4.627 1.00 0.00 N ATOM 401 CA ALA A 29 -12.224 12.574 3.252 1.00 0.00 C ATOM 402 C ALA A 29 -11.280 11.488 2.748 1.00 0.00 C ATOM 403 O ALA A 29 -11.718 10.452 2.246 1.00 0.00 O ATOM 404 CB ALA A 29 -12.157 13.796 2.348 1.00 0.00 C ATOM 0 H ALA A 29 -11.767 13.944 4.772 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.238 12.175 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.393 13.505 1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.877 14.540 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.153 14.220 2.383 1.00 0.00 H new ATOM 410 N THR A 30 -9.979 11.731 2.883 1.00 0.00 N ATOM 411 CA THR A 30 -8.973 10.774 2.440 1.00 0.00 C ATOM 412 C THR A 30 -8.985 9.521 3.308 1.00 0.00 C ATOM 413 O THR A 30 -9.287 8.427 2.831 1.00 0.00 O ATOM 414 CB THR A 30 -7.562 11.390 2.468 1.00 0.00 C ATOM 415 OG1 THR A 30 -7.580 12.684 1.853 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.566 10.494 1.746 1.00 0.00 C ATOM 0 H THR A 30 -9.598 12.583 3.296 1.00 0.00 H new ATOM 0 HA THR A 30 -9.224 10.504 1.414 1.00 0.00 H new ATOM 0 HB THR A 30 -7.252 11.487 3.509 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.679 13.070 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.576 10.950 1.779 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.533 9.520 2.234 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.874 10.370 0.708 1.00 0.00 H new ATOM 424 N TYR A 31 -8.657 9.688 4.584 1.00 0.00 N ATOM 425 CA TYR A 31 -8.629 8.570 5.519 1.00 0.00 C ATOM 426 C TYR A 31 -9.846 7.669 5.329 1.00 0.00 C ATOM 427 O TYR A 31 -9.751 6.448 5.436 1.00 0.00 O ATOM 428 CB TYR A 31 -8.580 9.082 6.959 1.00 0.00 C ATOM 429 CG TYR A 31 -7.986 8.091 7.935 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.700 7.597 7.757 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.711 7.651 9.036 1.00 0.00 C ATOM 432 CE1 TYR A 31 -6.154 6.691 8.645 1.00 0.00 C ATOM 433 CE2 TYR A 31 -8.172 6.747 9.930 1.00 0.00 C ATOM 434 CZ TYR A 31 -6.893 6.269 9.730 1.00 0.00 C ATOM 435 OH TYR A 31 -6.352 5.368 10.619 1.00 0.00 O ATOM 0 H TYR A 31 -8.407 10.587 4.995 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.732 7.985 5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.997 10.002 6.989 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.590 9.334 7.280 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.117 7.927 6.910 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.713 8.022 9.195 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.153 6.315 8.490 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.748 6.416 10.781 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.002 5.176 11.327 1.00 0.00 H new ATOM 445 N ASN A 32 -10.989 8.284 5.044 1.00 0.00 N ATOM 446 CA ASN A 32 -12.226 7.540 4.838 1.00 0.00 C ATOM 447 C ASN A 32 -12.092 6.577 3.662 1.00 0.00 C ATOM 448 O ASN A 32 -12.370 5.385 3.787 1.00 0.00 O ATOM 449 CB ASN A 32 -13.390 8.502 4.593 1.00 0.00 C ATOM 450 CG ASN A 32 -13.976 9.041 5.885 1.00 0.00 C ATOM 451 OD1 ASN A 32 -13.564 8.650 6.977 1.00 0.00 O ATOM 452 ND2 ASN A 32 -14.943 9.943 5.764 1.00 0.00 N ATOM 0 H ASN A 32 -11.084 9.295 4.950 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.426 6.960 5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.047 9.334 3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.170 7.989 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.376 10.341 6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.253 10.238 4.838 1.00 0.00 H new ATOM 459 N GLY A 33 -11.664 7.104 2.518 1.00 0.00 N ATOM 460 CA GLY A 33 -11.500 6.278 1.337 1.00 0.00 C ATOM 461 C GLY A 33 -10.834 4.951 1.644 1.00 0.00 C ATOM 462 O GLY A 33 -11.242 3.909 1.131 1.00 0.00 O ATOM 0 H GLY A 33 -11.428 8.088 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.476 6.095 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.905 6.817 0.600 1.00 0.00 H new ATOM 466 N PHE A 34 -9.804 4.989 2.484 1.00 0.00 N ATOM 467 CA PHE A 34 -9.078 3.781 2.857 1.00 0.00 C ATOM 468 C PHE A 34 -9.983 2.814 3.615 1.00 0.00 C ATOM 469 O PHE A 34 -10.040 1.624 3.302 1.00 0.00 O ATOM 470 CB PHE A 34 -7.861 4.136 3.714 1.00 0.00 C ATOM 471 CG PHE A 34 -6.894 2.999 3.882 1.00 0.00 C ATOM 472 CD1 PHE A 34 -7.206 1.920 4.692 1.00 0.00 C ATOM 473 CD2 PHE A 34 -5.671 3.011 3.229 1.00 0.00 C ATOM 474 CE1 PHE A 34 -6.318 0.872 4.849 1.00 0.00 C ATOM 475 CE2 PHE A 34 -4.780 1.966 3.382 1.00 0.00 C ATOM 476 CZ PHE A 34 -5.103 0.896 4.193 1.00 0.00 C ATOM 0 H PHE A 34 -9.454 5.843 2.919 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.740 3.294 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.341 4.980 3.261 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.201 4.461 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.155 1.897 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.412 3.846 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.574 0.036 5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.831 1.986 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.407 0.079 4.314 1.00 0.00 H new ATOM 486 N LEU A 35 -10.689 3.333 4.613 1.00 0.00 N ATOM 487 CA LEU A 35 -11.592 2.517 5.417 1.00 0.00 C ATOM 488 C LEU A 35 -12.549 1.728 4.529 1.00 0.00 C ATOM 489 O LEU A 35 -12.601 0.501 4.595 1.00 0.00 O ATOM 490 CB LEU A 35 -12.384 3.400 6.383 1.00 0.00 C ATOM 491 CG LEU A 35 -11.610 3.944 7.584 1.00 0.00 C ATOM 492 CD1 LEU A 35 -12.515 4.793 8.463 1.00 0.00 C ATOM 493 CD2 LEU A 35 -11.002 2.803 8.387 1.00 0.00 C ATOM 0 H LEU A 35 -10.654 4.315 4.885 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.992 1.810 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.788 4.244 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.234 2.827 6.753 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.801 4.575 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.946 5.171 9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.903 5.631 7.884 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.345 4.186 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.455 3.208 9.238 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.795 2.147 8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.320 2.236 7.754 1.00 0.00 H new ATOM 505 N GLU A 36 -13.303 2.443 3.699 1.00 0.00 N ATOM 506 CA GLU A 36 -14.257 1.808 2.797 1.00 0.00 C ATOM 507 C GLU A 36 -13.577 0.733 1.955 1.00 0.00 C ATOM 508 O GLU A 36 -14.051 -0.401 1.877 1.00 0.00 O ATOM 509 CB GLU A 36 -14.904 2.853 1.886 1.00 0.00 C ATOM 510 CG GLU A 36 -16.143 3.499 2.483 1.00 0.00 C ATOM 511 CD GLU A 36 -16.976 4.230 1.448 1.00 0.00 C ATOM 512 OE1 GLU A 36 -17.221 3.652 0.369 1.00 0.00 O ATOM 513 OE2 GLU A 36 -17.382 5.380 1.717 1.00 0.00 O ATOM 0 H GLU A 36 -13.272 3.460 3.633 1.00 0.00 H new ATOM 0 HA GLU A 36 -15.031 1.335 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.173 3.629 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.170 2.382 0.940 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.754 2.733 2.960 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.843 4.199 3.263 1.00 0.00 H new ATOM 520 N ILE A 37 -12.465 1.098 1.326 1.00 0.00 N ATOM 521 CA ILE A 37 -11.720 0.165 0.490 1.00 0.00 C ATOM 522 C ILE A 37 -11.546 -1.180 1.186 1.00 0.00 C ATOM 523 O ILE A 37 -11.944 -2.219 0.660 1.00 0.00 O ATOM 524 CB ILE A 37 -10.332 0.723 0.123 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.465 1.843 -0.911 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.436 -0.388 -0.404 1.00 0.00 C ATOM 527 CD1 ILE A 37 -9.352 2.865 -0.842 1.00 0.00 C ATOM 0 H ILE A 37 -12.060 2.033 1.379 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.301 0.027 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.874 1.136 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.483 1.405 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.420 2.348 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.459 0.023 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.319 -1.155 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.887 -0.829 -1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.511 3.629 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.346 3.331 0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.395 2.373 -1.016 1.00 0.00 H new ATOM 539 N MET A 38 -10.951 -1.153 2.375 1.00 0.00 N ATOM 540 CA MET A 38 -10.728 -2.371 3.145 1.00 0.00 C ATOM 541 C MET A 38 -12.031 -3.142 3.332 1.00 0.00 C ATOM 542 O MET A 38 -12.112 -4.329 3.016 1.00 0.00 O ATOM 543 CB MET A 38 -10.123 -2.033 4.509 1.00 0.00 C ATOM 544 CG MET A 38 -8.794 -1.299 4.419 1.00 0.00 C ATOM 545 SD MET A 38 -7.673 -2.039 3.216 1.00 0.00 S ATOM 546 CE MET A 38 -7.784 -3.768 3.668 1.00 0.00 C ATOM 0 H MET A 38 -10.615 -0.302 2.825 1.00 0.00 H new ATOM 0 HA MET A 38 -10.031 -2.999 2.591 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.830 -1.421 5.069 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.982 -2.955 5.074 1.00 0.00 H new ATOM 0 HG2 MET A 38 -8.975 -0.259 4.149 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.318 -1.296 5.400 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.868 -4.280 3.375 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.919 -3.854 4.746 1.00 0.00 H new ATOM 0 HE3 MET A 38 -8.633 -4.223 3.159 1.00 0.00 H new ATOM 556 N LYS A 39 -13.048 -2.461 3.847 1.00 0.00 N ATOM 557 CA LYS A 39 -14.348 -3.081 4.075 1.00 0.00 C ATOM 558 C LYS A 39 -14.731 -3.987 2.909 1.00 0.00 C ATOM 559 O LYS A 39 -15.385 -5.012 3.097 1.00 0.00 O ATOM 560 CB LYS A 39 -15.421 -2.008 4.275 1.00 0.00 C ATOM 561 CG LYS A 39 -15.474 -1.457 5.689 1.00 0.00 C ATOM 562 CD LYS A 39 -16.309 -0.190 5.763 1.00 0.00 C ATOM 563 CE LYS A 39 -16.187 0.480 7.123 1.00 0.00 C ATOM 564 NZ LYS A 39 -16.995 1.728 7.201 1.00 0.00 N ATOM 0 H LYS A 39 -12.997 -1.478 4.115 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.279 -3.689 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.236 -1.188 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.394 -2.428 4.021 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.892 -2.209 6.358 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.462 -1.248 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.990 0.503 4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.354 -0.430 5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.512 -0.212 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.141 0.712 7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.885 2.154 8.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.668 2.399 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.997 1.503 7.037 1.00 0.00 H new ATOM 578 N GLU A 40 -14.318 -3.601 1.706 1.00 0.00 N ATOM 579 CA GLU A 40 -14.618 -4.380 0.510 1.00 0.00 C ATOM 580 C GLU A 40 -13.955 -5.753 0.574 1.00 0.00 C ATOM 581 O GLU A 40 -14.598 -6.776 0.339 1.00 0.00 O ATOM 582 CB GLU A 40 -14.150 -3.634 -0.742 1.00 0.00 C ATOM 583 CG GLU A 40 -14.738 -2.240 -0.875 1.00 0.00 C ATOM 584 CD GLU A 40 -14.749 -1.745 -2.309 1.00 0.00 C ATOM 585 OE1 GLU A 40 -14.895 -2.582 -3.224 1.00 0.00 O ATOM 586 OE2 GLU A 40 -14.612 -0.521 -2.514 1.00 0.00 O ATOM 0 H GLU A 40 -13.775 -2.755 1.534 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.698 -4.519 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.063 -3.560 -0.726 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.417 -4.217 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.757 -2.241 -0.487 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.164 -1.547 -0.260 1.00 0.00 H new ATOM 593 N PHE A 41 -12.666 -5.767 0.894 1.00 0.00 N ATOM 594 CA PHE A 41 -11.915 -7.013 0.989 1.00 0.00 C ATOM 595 C PHE A 41 -12.443 -7.882 2.127 1.00 0.00 C ATOM 596 O PHE A 41 -12.321 -9.107 2.097 1.00 0.00 O ATOM 597 CB PHE A 41 -10.428 -6.722 1.202 1.00 0.00 C ATOM 598 CG PHE A 41 -9.564 -7.951 1.157 1.00 0.00 C ATOM 599 CD1 PHE A 41 -9.451 -8.775 2.266 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.867 -8.282 0.007 1.00 0.00 C ATOM 601 CE1 PHE A 41 -8.657 -9.905 2.228 1.00 0.00 C ATOM 602 CE2 PHE A 41 -8.071 -9.411 -0.037 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.967 -10.224 1.074 1.00 0.00 C ATOM 0 H PHE A 41 -12.119 -4.929 1.092 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.042 -7.556 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.090 -6.022 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.297 -6.230 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.990 -8.531 3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.946 -7.651 -0.866 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.576 -10.538 3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.531 -9.657 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.347 -11.108 1.041 1.00 0.00 H new ATOM 613 N LYS A 42 -13.030 -7.239 3.130 1.00 0.00 N ATOM 614 CA LYS A 42 -13.578 -7.950 4.279 1.00 0.00 C ATOM 615 C LYS A 42 -14.885 -8.647 3.914 1.00 0.00 C ATOM 616 O LYS A 42 -15.403 -9.457 4.683 1.00 0.00 O ATOM 617 CB LYS A 42 -13.811 -6.981 5.441 1.00 0.00 C ATOM 618 CG LYS A 42 -14.019 -7.673 6.777 1.00 0.00 C ATOM 619 CD LYS A 42 -13.966 -6.685 7.930 1.00 0.00 C ATOM 620 CE LYS A 42 -12.537 -6.444 8.391 1.00 0.00 C ATOM 621 NZ LYS A 42 -12.030 -7.561 9.236 1.00 0.00 N ATOM 0 H LYS A 42 -13.139 -6.226 3.171 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.856 -8.707 4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.957 -6.308 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.683 -6.365 5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.982 -8.183 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.254 -8.437 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.414 -5.740 7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.559 -7.063 8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.890 -6.324 7.522 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.490 -5.512 8.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.079 -7.328 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.670 -7.704 10.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.987 -8.432 8.670 1.00 0.00 H new ATOM 635 N SER A 43 -15.412 -8.328 2.737 1.00 0.00 N ATOM 636 CA SER A 43 -16.660 -8.922 2.271 1.00 0.00 C ATOM 637 C SER A 43 -16.442 -9.700 0.977 1.00 0.00 C ATOM 638 O SER A 43 -17.397 -10.072 0.297 1.00 0.00 O ATOM 639 CB SER A 43 -17.717 -7.837 2.055 1.00 0.00 C ATOM 640 OG SER A 43 -18.471 -7.617 3.235 1.00 0.00 O ATOM 0 H SER A 43 -14.994 -7.661 2.088 1.00 0.00 H new ATOM 0 HA SER A 43 -17.011 -9.614 3.036 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.233 -6.909 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 43 -18.383 -8.130 1.243 1.00 0.00 H new ATOM 0 HG SER A 43 -19.138 -6.918 3.071 1.00 0.00 H new ATOM 646 N GLN A 44 -15.178 -9.941 0.645 1.00 0.00 N ATOM 647 CA GLN A 44 -14.833 -10.674 -0.567 1.00 0.00 C ATOM 648 C GLN A 44 -15.296 -9.920 -1.809 1.00 0.00 C ATOM 649 O GLN A 44 -15.546 -10.519 -2.855 1.00 0.00 O ATOM 650 CB GLN A 44 -15.460 -12.069 -0.541 1.00 0.00 C ATOM 651 CG GLN A 44 -15.077 -12.885 0.684 1.00 0.00 C ATOM 652 CD GLN A 44 -15.159 -14.379 0.439 1.00 0.00 C ATOM 653 OE1 GLN A 44 -14.253 -14.975 -0.144 1.00 0.00 O ATOM 654 NE2 GLN A 44 -16.250 -14.992 0.883 1.00 0.00 N ATOM 0 H GLN A 44 -14.376 -9.639 1.198 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.748 -10.771 -0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -16.545 -11.971 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -15.158 -12.611 -1.437 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.062 -12.625 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.734 -12.620 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -16.976 -14.458 1.361 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -16.362 -15.997 0.746 1.00 0.00 H new ATOM 663 N SER A 45 -15.407 -8.601 -1.687 1.00 0.00 N ATOM 664 CA SER A 45 -15.844 -7.764 -2.799 1.00 0.00 C ATOM 665 C SER A 45 -14.715 -7.565 -3.805 1.00 0.00 C ATOM 666 O SER A 45 -14.918 -7.683 -5.014 1.00 0.00 O ATOM 667 CB SER A 45 -16.330 -6.408 -2.285 1.00 0.00 C ATOM 668 OG SER A 45 -17.539 -6.541 -1.558 1.00 0.00 O ATOM 0 H SER A 45 -15.200 -8.089 -0.829 1.00 0.00 H new ATOM 0 HA SER A 45 -16.669 -8.270 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.566 -5.962 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.480 -5.730 -3.125 1.00 0.00 H new ATOM 0 HG SER A 45 -17.827 -5.660 -1.239 1.00 0.00 H new ATOM 674 N ILE A 46 -13.525 -7.261 -3.297 1.00 0.00 N ATOM 675 CA ILE A 46 -12.363 -7.046 -4.150 1.00 0.00 C ATOM 676 C ILE A 46 -11.340 -8.163 -3.977 1.00 0.00 C ATOM 677 O ILE A 46 -11.455 -8.989 -3.072 1.00 0.00 O ATOM 678 CB ILE A 46 -11.687 -5.695 -3.850 1.00 0.00 C ATOM 679 CG1 ILE A 46 -11.162 -5.670 -2.414 1.00 0.00 C ATOM 680 CG2 ILE A 46 -12.664 -4.551 -4.083 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.472 -4.375 -2.045 1.00 0.00 C ATOM 0 H ILE A 46 -13.341 -7.158 -2.299 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.723 -7.042 -5.179 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.842 -5.570 -4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.993 -5.837 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.464 -6.496 -2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.172 -3.603 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.994 -4.560 -5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.527 -4.670 -3.427 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.126 -4.429 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.620 -4.215 -2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.173 -3.547 -2.150 1.00 0.00 H new ATOM 693 N ASP A 47 -10.338 -8.180 -4.849 1.00 0.00 N ATOM 694 CA ASP A 47 -9.291 -9.194 -4.791 1.00 0.00 C ATOM 695 C ASP A 47 -7.981 -8.594 -4.291 1.00 0.00 C ATOM 696 O ASP A 47 -7.876 -7.384 -4.088 1.00 0.00 O ATOM 697 CB ASP A 47 -9.085 -9.824 -6.170 1.00 0.00 C ATOM 698 CG ASP A 47 -10.394 -10.193 -6.839 1.00 0.00 C ATOM 699 OD1 ASP A 47 -11.290 -10.715 -6.143 1.00 0.00 O ATOM 700 OD2 ASP A 47 -10.523 -9.961 -8.060 1.00 0.00 O ATOM 0 H ASP A 47 -10.228 -7.503 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.606 -9.967 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.539 -9.128 -6.806 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.467 -10.716 -6.070 1.00 0.00 H new ATOM 705 N THR A 48 -6.982 -9.449 -4.093 1.00 0.00 N ATOM 706 CA THR A 48 -5.679 -9.005 -3.615 1.00 0.00 C ATOM 707 C THR A 48 -5.227 -7.744 -4.342 1.00 0.00 C ATOM 708 O THR A 48 -4.976 -6.703 -3.734 1.00 0.00 O ATOM 709 CB THR A 48 -4.611 -10.099 -3.796 1.00 0.00 C ATOM 710 OG1 THR A 48 -4.541 -10.915 -2.622 1.00 0.00 O ATOM 711 CG2 THR A 48 -3.247 -9.484 -4.074 1.00 0.00 C ATOM 0 H THR A 48 -7.051 -10.453 -4.257 1.00 0.00 H new ATOM 0 HA THR A 48 -5.790 -8.789 -2.552 1.00 0.00 H new ATOM 0 HB THR A 48 -4.895 -10.715 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.861 -11.609 -2.746 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.509 -10.277 -4.198 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.296 -8.887 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.958 -8.847 -3.238 1.00 0.00 H new ATOM 719 N PRO A 49 -5.121 -7.835 -5.676 1.00 0.00 N ATOM 720 CA PRO A 49 -4.700 -6.709 -6.515 1.00 0.00 C ATOM 721 C PRO A 49 -5.751 -5.606 -6.576 1.00 0.00 C ATOM 722 O PRO A 49 -5.492 -4.516 -7.084 1.00 0.00 O ATOM 723 CB PRO A 49 -4.512 -7.346 -7.895 1.00 0.00 C ATOM 724 CG PRO A 49 -5.402 -8.540 -7.885 1.00 0.00 C ATOM 725 CD PRO A 49 -5.404 -9.044 -6.468 1.00 0.00 C ATOM 0 HA PRO A 49 -3.803 -6.225 -6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.787 -6.654 -8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.473 -7.628 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.410 -8.278 -8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.037 -9.305 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.364 -9.485 -6.200 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.646 -9.812 -6.314 1.00 0.00 H new ATOM 733 N GLY A 50 -6.939 -5.898 -6.054 1.00 0.00 N ATOM 734 CA GLY A 50 -8.011 -4.920 -6.059 1.00 0.00 C ATOM 735 C GLY A 50 -7.888 -3.918 -4.928 1.00 0.00 C ATOM 736 O GLY A 50 -8.196 -2.739 -5.097 1.00 0.00 O ATOM 0 H GLY A 50 -7.178 -6.794 -5.628 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.010 -4.390 -7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.969 -5.435 -5.981 1.00 0.00 H new ATOM 740 N VAL A 51 -7.439 -4.390 -3.769 1.00 0.00 N ATOM 741 CA VAL A 51 -7.276 -3.527 -2.605 1.00 0.00 C ATOM 742 C VAL A 51 -6.019 -2.674 -2.724 1.00 0.00 C ATOM 743 O VAL A 51 -5.931 -1.594 -2.138 1.00 0.00 O ATOM 744 CB VAL A 51 -7.204 -4.349 -1.304 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.812 -4.931 -1.116 1.00 0.00 C ATOM 746 CG2 VAL A 51 -7.598 -3.491 -0.110 1.00 0.00 C ATOM 0 H VAL A 51 -7.182 -5.364 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.150 -2.877 -2.568 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.910 -5.176 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.781 -5.508 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.572 -5.581 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.083 -4.122 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.542 -4.087 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.918 -2.643 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.617 -3.128 -0.243 1.00 0.00 H new ATOM 756 N ILE A 52 -5.048 -3.164 -3.487 1.00 0.00 N ATOM 757 CA ILE A 52 -3.795 -2.445 -3.684 1.00 0.00 C ATOM 758 C ILE A 52 -3.978 -1.275 -4.646 1.00 0.00 C ATOM 759 O ILE A 52 -3.585 -0.147 -4.349 1.00 0.00 O ATOM 760 CB ILE A 52 -2.693 -3.373 -4.227 1.00 0.00 C ATOM 761 CG1 ILE A 52 -2.440 -4.525 -3.253 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.412 -2.588 -4.471 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.782 -5.726 -3.895 1.00 0.00 C ATOM 0 H ILE A 52 -5.105 -4.056 -3.979 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.492 -2.066 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.027 -3.791 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.811 -4.169 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.388 -4.833 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.642 -3.258 -4.855 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.602 -1.799 -5.198 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.073 -2.145 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.633 -6.503 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.420 -6.108 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.818 -5.434 -4.311 1.00 0.00 H new ATOM 775 N ARG A 53 -4.580 -1.552 -5.798 1.00 0.00 N ATOM 776 CA ARG A 53 -4.817 -0.523 -6.803 1.00 0.00 C ATOM 777 C ARG A 53 -5.620 0.634 -6.217 1.00 0.00 C ATOM 778 O ARG A 53 -5.470 1.782 -6.636 1.00 0.00 O ATOM 779 CB ARG A 53 -5.555 -1.114 -8.005 1.00 0.00 C ATOM 780 CG ARG A 53 -7.051 -1.274 -7.783 1.00 0.00 C ATOM 781 CD ARG A 53 -7.722 -1.944 -8.971 1.00 0.00 C ATOM 782 NE ARG A 53 -7.531 -3.392 -8.962 1.00 0.00 N ATOM 783 CZ ARG A 53 -8.335 -4.243 -9.590 1.00 0.00 C ATOM 784 NH1 ARG A 53 -9.379 -3.793 -10.273 1.00 0.00 N ATOM 785 NH2 ARG A 53 -8.096 -5.547 -9.535 1.00 0.00 N ATOM 0 H ARG A 53 -4.912 -2.480 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.850 -0.142 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.391 -0.474 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.125 -2.087 -8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.225 -1.865 -6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.501 -0.296 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.788 -1.719 -8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.319 -1.531 -9.896 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.737 -3.770 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.566 -2.791 -10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.995 -4.449 -10.754 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.294 -5.897 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.714 -6.200 -10.017 1.00 0.00 H new ATOM 799 N ARG A 54 -6.474 0.324 -5.247 1.00 0.00 N ATOM 800 CA ARG A 54 -7.303 1.338 -4.605 1.00 0.00 C ATOM 801 C ARG A 54 -6.467 2.215 -3.678 1.00 0.00 C ATOM 802 O ARG A 54 -6.653 3.431 -3.622 1.00 0.00 O ATOM 803 CB ARG A 54 -8.435 0.677 -3.817 1.00 0.00 C ATOM 804 CG ARG A 54 -9.509 0.058 -4.697 1.00 0.00 C ATOM 805 CD ARG A 54 -10.609 1.058 -5.020 1.00 0.00 C ATOM 806 NE ARG A 54 -11.428 0.624 -6.148 1.00 0.00 N ATOM 807 CZ ARG A 54 -10.989 0.577 -7.401 1.00 0.00 C ATOM 808 NH1 ARG A 54 -9.744 0.935 -7.684 1.00 0.00 N ATOM 809 NH2 ARG A 54 -11.796 0.171 -8.373 1.00 0.00 N ATOM 0 H ARG A 54 -6.610 -0.621 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.732 1.968 -5.384 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.015 -0.096 -3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.895 1.420 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.060 -0.302 -5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.939 -0.808 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.242 1.196 -4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.163 2.027 -5.247 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.391 0.341 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.121 1.247 -6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.409 0.898 -8.647 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.754 -0.105 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.458 0.135 -9.335 1.00 0.00 H new ATOM 823 N VAL A 55 -5.547 1.590 -2.950 1.00 0.00 N ATOM 824 CA VAL A 55 -4.683 2.313 -2.025 1.00 0.00 C ATOM 825 C VAL A 55 -3.766 3.278 -2.769 1.00 0.00 C ATOM 826 O VAL A 55 -3.399 4.329 -2.246 1.00 0.00 O ATOM 827 CB VAL A 55 -3.824 1.347 -1.188 1.00 0.00 C ATOM 828 CG1 VAL A 55 -2.708 2.101 -0.480 1.00 0.00 C ATOM 829 CG2 VAL A 55 -4.688 0.595 -0.187 1.00 0.00 C ATOM 0 H VAL A 55 -5.381 0.584 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.335 2.878 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.369 0.619 -1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.112 1.402 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.073 2.589 -1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.139 2.853 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.064 -0.083 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.173 1.306 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.447 0.022 -0.720 1.00 0.00 H new ATOM 839 N SER A 56 -3.401 2.912 -3.993 1.00 0.00 N ATOM 840 CA SER A 56 -2.524 3.743 -4.809 1.00 0.00 C ATOM 841 C SER A 56 -3.204 5.060 -5.171 1.00 0.00 C ATOM 842 O SER A 56 -2.648 6.136 -4.958 1.00 0.00 O ATOM 843 CB SER A 56 -2.120 2.998 -6.083 1.00 0.00 C ATOM 844 OG SER A 56 -1.415 3.849 -6.970 1.00 0.00 O ATOM 0 H SER A 56 -3.699 2.046 -4.442 1.00 0.00 H new ATOM 0 HA SER A 56 -1.630 3.964 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.498 2.141 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.010 2.609 -6.578 1.00 0.00 H new ATOM 0 HG SER A 56 -1.167 3.349 -7.775 1.00 0.00 H new ATOM 850 N GLN A 57 -4.411 4.964 -5.718 1.00 0.00 N ATOM 851 CA GLN A 57 -5.168 6.147 -6.110 1.00 0.00 C ATOM 852 C GLN A 57 -5.359 7.088 -4.925 1.00 0.00 C ATOM 853 O GLN A 57 -5.206 8.303 -5.053 1.00 0.00 O ATOM 854 CB GLN A 57 -6.529 5.742 -6.680 1.00 0.00 C ATOM 855 CG GLN A 57 -6.434 4.862 -7.916 1.00 0.00 C ATOM 856 CD GLN A 57 -5.636 5.508 -9.032 1.00 0.00 C ATOM 857 OE1 GLN A 57 -6.184 6.234 -9.862 1.00 0.00 O ATOM 858 NE2 GLN A 57 -4.335 5.246 -9.057 1.00 0.00 N ATOM 0 H GLN A 57 -4.886 4.080 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.602 6.672 -6.879 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.093 5.214 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.092 6.642 -6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.972 3.912 -7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.438 4.637 -8.275 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.923 4.638 -8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.747 5.652 -9.785 1.00 0.00 H new ATOM 867 N LEU A 58 -5.694 6.519 -3.773 1.00 0.00 N ATOM 868 CA LEU A 58 -5.907 7.308 -2.564 1.00 0.00 C ATOM 869 C LEU A 58 -4.725 8.237 -2.305 1.00 0.00 C ATOM 870 O LEU A 58 -4.891 9.451 -2.184 1.00 0.00 O ATOM 871 CB LEU A 58 -6.118 6.386 -1.361 1.00 0.00 C ATOM 872 CG LEU A 58 -6.448 7.076 -0.037 1.00 0.00 C ATOM 873 CD1 LEU A 58 -7.753 7.849 -0.148 1.00 0.00 C ATOM 874 CD2 LEU A 58 -6.525 6.057 1.091 1.00 0.00 C ATOM 0 H LEU A 58 -5.824 5.515 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.799 7.917 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.925 5.692 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.216 5.790 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.649 7.782 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.971 8.333 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.663 8.605 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.562 7.163 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.761 6.566 2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.303 5.327 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.566 5.547 1.187 1.00 0.00 H new ATOM 886 N PHE A 59 -3.531 7.659 -2.223 1.00 0.00 N ATOM 887 CA PHE A 59 -2.321 8.435 -1.980 1.00 0.00 C ATOM 888 C PHE A 59 -1.568 8.691 -3.283 1.00 0.00 C ATOM 889 O PHE A 59 -0.346 8.557 -3.343 1.00 0.00 O ATOM 890 CB PHE A 59 -1.412 7.706 -0.988 1.00 0.00 C ATOM 891 CG PHE A 59 -2.138 7.191 0.222 1.00 0.00 C ATOM 892 CD1 PHE A 59 -3.019 8.004 0.917 1.00 0.00 C ATOM 893 CD2 PHE A 59 -1.940 5.893 0.664 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.687 7.532 2.031 1.00 0.00 C ATOM 895 CE2 PHE A 59 -2.605 5.415 1.777 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.481 6.236 2.461 1.00 0.00 C ATOM 0 H PHE A 59 -3.376 6.656 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.615 9.395 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.930 6.871 -1.495 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.621 8.383 -0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.186 9.018 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.257 5.247 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.370 8.176 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.440 4.401 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.004 5.865 3.330 1.00 0.00 H new ATOM 906 N HIS A 60 -2.308 9.060 -4.324 1.00 0.00 N ATOM 907 CA HIS A 60 -1.711 9.335 -5.626 1.00 0.00 C ATOM 908 C HIS A 60 -0.661 10.436 -5.521 1.00 0.00 C ATOM 909 O HIS A 60 0.209 10.561 -6.383 1.00 0.00 O ATOM 910 CB HIS A 60 -2.792 9.738 -6.631 1.00 0.00 C ATOM 911 CG HIS A 60 -3.421 11.064 -6.333 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.539 12.069 -7.270 1.00 0.00 N ATOM 913 CD2 HIS A 60 -3.970 11.548 -5.194 1.00 0.00 C ATOM 914 CE1 HIS A 60 -4.132 13.113 -6.721 1.00 0.00 C ATOM 915 NE2 HIS A 60 -4.405 12.823 -5.461 1.00 0.00 N ATOM 0 H HIS A 60 -3.321 9.175 -4.291 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.223 8.425 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.356 9.768 -7.629 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.567 8.972 -6.645 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.051 11.028 -4.251 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.356 14.046 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.864 13.445 -4.795 1.00 0.00 H new ATOM 924 N GLU A 61 -0.750 11.233 -4.461 1.00 0.00 N ATOM 925 CA GLU A 61 0.193 12.324 -4.245 1.00 0.00 C ATOM 926 C GLU A 61 1.391 11.855 -3.425 1.00 0.00 C ATOM 927 O GLU A 61 2.470 12.446 -3.487 1.00 0.00 O ATOM 928 CB GLU A 61 -0.498 13.492 -3.537 1.00 0.00 C ATOM 929 CG GLU A 61 -1.512 14.217 -4.406 1.00 0.00 C ATOM 930 CD GLU A 61 -0.865 15.218 -5.343 1.00 0.00 C ATOM 931 OE1 GLU A 61 -0.359 16.249 -4.852 1.00 0.00 O ATOM 932 OE2 GLU A 61 -0.866 14.972 -6.567 1.00 0.00 O ATOM 0 H GLU A 61 -1.465 11.144 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 61 0.551 12.658 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.999 13.119 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.258 14.203 -3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.072 13.487 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.229 14.733 -3.768 1.00 0.00 H new ATOM 939 N HIS A 62 1.193 10.789 -2.656 1.00 0.00 N ATOM 940 CA HIS A 62 2.257 10.239 -1.823 1.00 0.00 C ATOM 941 C HIS A 62 2.768 8.920 -2.395 1.00 0.00 C ATOM 942 O HIS A 62 2.346 7.836 -1.992 1.00 0.00 O ATOM 943 CB HIS A 62 1.757 10.029 -0.394 1.00 0.00 C ATOM 944 CG HIS A 62 0.870 11.130 0.099 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.276 12.066 1.027 1.00 0.00 N ATOM 946 CD2 HIS A 62 -0.409 11.445 -0.215 1.00 0.00 C ATOM 947 CE1 HIS A 62 0.285 12.906 1.264 1.00 0.00 C ATOM 948 NE2 HIS A 62 -0.749 12.552 0.523 1.00 0.00 N ATOM 0 H HIS A 62 0.306 10.289 -2.592 1.00 0.00 H new ATOM 0 HA HIS A 62 3.081 10.953 -1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.213 9.086 -0.343 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.615 9.939 0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.044 10.923 -0.916 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.315 13.741 1.948 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.653 13.024 0.502 1.00 0.00 H new ATOM 957 N PRO A 63 3.698 9.013 -3.357 1.00 0.00 N ATOM 958 CA PRO A 63 4.287 7.837 -4.005 1.00 0.00 C ATOM 959 C PRO A 63 5.195 7.051 -3.065 1.00 0.00 C ATOM 960 O PRO A 63 5.455 5.867 -3.283 1.00 0.00 O ATOM 961 CB PRO A 63 5.098 8.435 -5.157 1.00 0.00 C ATOM 962 CG PRO A 63 5.418 9.821 -4.715 1.00 0.00 C ATOM 963 CD PRO A 63 4.248 10.272 -3.886 1.00 0.00 C ATOM 0 HA PRO A 63 3.527 7.125 -4.326 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.005 7.860 -5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.526 8.437 -6.085 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.340 9.842 -4.133 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.566 10.479 -5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.558 10.943 -3.085 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.514 10.810 -4.486 1.00 0.00 H new ATOM 971 N ASP A 64 5.676 7.717 -2.021 1.00 0.00 N ATOM 972 CA ASP A 64 6.555 7.080 -1.047 1.00 0.00 C ATOM 973 C ASP A 64 5.779 6.096 -0.177 1.00 0.00 C ATOM 974 O ASP A 64 6.345 5.135 0.347 1.00 0.00 O ATOM 975 CB ASP A 64 7.228 8.136 -0.168 1.00 0.00 C ATOM 976 CG ASP A 64 7.791 7.551 1.112 1.00 0.00 C ATOM 977 OD1 ASP A 64 8.717 6.718 1.026 1.00 0.00 O ATOM 978 OD2 ASP A 64 7.305 7.925 2.200 1.00 0.00 O ATOM 0 H ASP A 64 5.472 8.697 -1.827 1.00 0.00 H new ATOM 0 HA ASP A 64 7.322 6.529 -1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.031 8.614 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.505 8.914 0.079 1.00 0.00 H new ATOM 983 N LEU A 65 4.483 6.342 -0.026 1.00 0.00 N ATOM 984 CA LEU A 65 3.629 5.478 0.782 1.00 0.00 C ATOM 985 C LEU A 65 3.134 4.287 -0.032 1.00 0.00 C ATOM 986 O LEU A 65 3.195 3.144 0.423 1.00 0.00 O ATOM 987 CB LEU A 65 2.438 6.269 1.325 1.00 0.00 C ATOM 988 CG LEU A 65 2.642 6.941 2.683 1.00 0.00 C ATOM 989 CD1 LEU A 65 1.606 8.034 2.899 1.00 0.00 C ATOM 990 CD2 LEU A 65 2.576 5.913 3.803 1.00 0.00 C ATOM 0 H LEU A 65 4.000 7.133 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 65 4.220 5.103 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.176 7.037 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.584 5.596 1.400 1.00 0.00 H new ATOM 0 HG LEU A 65 3.631 7.399 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.767 8.501 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.701 8.785 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.607 7.600 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.723 6.410 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.601 5.426 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.356 5.166 3.658 1.00 0.00 H new ATOM 1002 N ILE A 66 2.647 4.561 -1.237 1.00 0.00 N ATOM 1003 CA ILE A 66 2.145 3.512 -2.115 1.00 0.00 C ATOM 1004 C ILE A 66 3.165 2.388 -2.267 1.00 0.00 C ATOM 1005 O ILE A 66 2.834 1.211 -2.121 1.00 0.00 O ATOM 1006 CB ILE A 66 1.796 4.064 -3.510 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.800 5.219 -3.390 1.00 0.00 C ATOM 1008 CG2 ILE A 66 1.231 2.959 -4.391 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.512 5.908 -4.706 1.00 0.00 C ATOM 0 H ILE A 66 2.589 5.501 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 66 1.240 3.119 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 66 2.707 4.441 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.134 4.841 -2.975 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.189 5.952 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.989 3.365 -5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.970 2.165 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.328 2.555 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.202 6.716 -4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.437 6.317 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.093 5.188 -5.409 1.00 0.00 H new ATOM 1021 N VAL A 67 4.408 2.759 -2.558 1.00 0.00 N ATOM 1022 CA VAL A 67 5.477 1.782 -2.726 1.00 0.00 C ATOM 1023 C VAL A 67 5.663 0.948 -1.464 1.00 0.00 C ATOM 1024 O VAL A 67 5.801 -0.273 -1.530 1.00 0.00 O ATOM 1025 CB VAL A 67 6.812 2.467 -3.077 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.947 1.454 -3.078 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.712 3.171 -4.421 1.00 0.00 C ATOM 0 H VAL A 67 4.699 3.729 -2.682 1.00 0.00 H new ATOM 0 HA VAL A 67 5.184 1.130 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 67 7.028 3.217 -2.316 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.882 1.955 -3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.031 1.001 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.742 0.679 -3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.664 3.649 -4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.473 2.443 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.927 3.926 -4.379 1.00 0.00 H new ATOM 1037 N GLY A 68 5.664 1.615 -0.314 1.00 0.00 N ATOM 1038 CA GLY A 68 5.833 0.919 0.948 1.00 0.00 C ATOM 1039 C GLY A 68 4.657 0.019 1.275 1.00 0.00 C ATOM 1040 O GLY A 68 4.775 -0.897 2.089 1.00 0.00 O ATOM 0 H GLY A 68 5.551 2.626 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.744 0.322 0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.962 1.649 1.748 1.00 0.00 H new ATOM 1044 N PHE A 69 3.519 0.282 0.642 1.00 0.00 N ATOM 1045 CA PHE A 69 2.315 -0.509 0.873 1.00 0.00 C ATOM 1046 C PHE A 69 2.452 -1.898 0.257 1.00 0.00 C ATOM 1047 O PHE A 69 2.196 -2.907 0.912 1.00 0.00 O ATOM 1048 CB PHE A 69 1.093 0.202 0.290 1.00 0.00 C ATOM 1049 CG PHE A 69 -0.194 -0.541 0.509 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -0.592 -1.536 -0.369 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -1.005 -0.245 1.592 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -1.776 -2.221 -0.171 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -2.190 -0.927 1.796 1.00 0.00 C ATOM 1054 CZ PHE A 69 -2.575 -1.917 0.914 1.00 0.00 C ATOM 0 H PHE A 69 3.405 1.036 -0.035 1.00 0.00 H new ATOM 0 HA PHE A 69 2.183 -0.619 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.012 1.193 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.243 0.346 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.030 -1.779 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.708 0.528 2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.076 -2.993 -0.864 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.814 -0.686 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.499 -2.453 1.072 1.00 0.00 H new ATOM 1064 N ASN A 70 2.856 -1.941 -1.009 1.00 0.00 N ATOM 1065 CA ASN A 70 3.025 -3.205 -1.715 1.00 0.00 C ATOM 1066 C ASN A 70 4.146 -4.032 -1.090 1.00 0.00 C ATOM 1067 O ASN A 70 3.990 -5.229 -0.855 1.00 0.00 O ATOM 1068 CB ASN A 70 3.327 -2.952 -3.193 1.00 0.00 C ATOM 1069 CG ASN A 70 2.502 -1.815 -3.765 1.00 0.00 C ATOM 1070 OD1 ASN A 70 1.334 -1.644 -3.415 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.107 -1.031 -4.650 1.00 0.00 N ATOM 0 H ASN A 70 3.072 -1.115 -1.566 1.00 0.00 H new ATOM 0 HA ASN A 70 2.094 -3.765 -1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.386 -2.724 -3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.132 -3.861 -3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.602 -0.250 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.077 -1.210 -4.911 1.00 0.00 H new ATOM 1078 N ALA A 71 5.274 -3.382 -0.824 1.00 0.00 N ATOM 1079 CA ALA A 71 6.420 -4.055 -0.224 1.00 0.00 C ATOM 1080 C ALA A 71 6.092 -4.550 1.181 1.00 0.00 C ATOM 1081 O ALA A 71 6.397 -5.689 1.536 1.00 0.00 O ATOM 1082 CB ALA A 71 7.622 -3.123 -0.191 1.00 0.00 C ATOM 0 H ALA A 71 5.419 -2.390 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 71 6.664 -4.922 -0.838 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.470 -3.639 0.259 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.878 -2.823 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.381 -2.238 0.398 1.00 0.00 H new ATOM 1088 N PHE A 72 5.470 -3.686 1.977 1.00 0.00 N ATOM 1089 CA PHE A 72 5.103 -4.035 3.344 1.00 0.00 C ATOM 1090 C PHE A 72 4.102 -5.187 3.362 1.00 0.00 C ATOM 1091 O PHE A 72 4.393 -6.270 3.871 1.00 0.00 O ATOM 1092 CB PHE A 72 4.512 -2.820 4.062 1.00 0.00 C ATOM 1093 CG PHE A 72 4.282 -3.044 5.529 1.00 0.00 C ATOM 1094 CD1 PHE A 72 5.330 -3.402 6.362 1.00 0.00 C ATOM 1095 CD2 PHE A 72 3.017 -2.896 6.076 1.00 0.00 C ATOM 1096 CE1 PHE A 72 5.120 -3.609 7.712 1.00 0.00 C ATOM 1097 CE2 PHE A 72 2.801 -3.102 7.425 1.00 0.00 C ATOM 1098 CZ PHE A 72 3.854 -3.458 8.245 1.00 0.00 C ATOM 0 H PHE A 72 5.210 -2.740 1.699 1.00 0.00 H new ATOM 0 HA PHE A 72 6.006 -4.353 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.182 -1.970 3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.566 -2.554 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.322 -3.521 5.952 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.190 -2.616 5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.945 -3.889 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.810 -2.985 7.838 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.688 -3.618 9.300 1.00 0.00 H new ATOM 1108 N LEU A 73 2.921 -4.944 2.802 1.00 0.00 N ATOM 1109 CA LEU A 73 1.875 -5.960 2.753 1.00 0.00 C ATOM 1110 C LEU A 73 2.477 -7.354 2.608 1.00 0.00 C ATOM 1111 O LEU A 73 3.401 -7.581 1.828 1.00 0.00 O ATOM 1112 CB LEU A 73 0.920 -5.681 1.591 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.493 -6.247 1.734 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -1.467 -5.479 0.853 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -0.512 -7.728 1.386 1.00 0.00 C ATOM 0 H LEU A 73 2.664 -4.053 2.376 1.00 0.00 H new ATOM 0 HA LEU A 73 1.319 -5.920 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.846 -4.602 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.361 -6.084 0.679 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.806 -6.134 2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.468 -5.896 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.475 -4.430 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.157 -5.561 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.526 -8.114 1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.179 -7.864 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.155 -8.268 2.058 1.00 0.00 H new ATOM 1127 N PRO A 74 1.939 -8.314 3.377 1.00 0.00 N ATOM 1128 CA PRO A 74 2.405 -9.703 3.350 1.00 0.00 C ATOM 1129 C PRO A 74 2.047 -10.410 2.047 1.00 0.00 C ATOM 1130 O PRO A 74 0.934 -10.272 1.540 1.00 0.00 O ATOM 1131 CB PRO A 74 1.668 -10.347 4.527 1.00 0.00 C ATOM 1132 CG PRO A 74 0.444 -9.518 4.707 1.00 0.00 C ATOM 1133 CD PRO A 74 0.834 -8.116 4.330 1.00 0.00 C ATOM 0 HA PRO A 74 3.491 -9.770 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.415 -11.386 4.315 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.283 -10.346 5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -0.368 -9.880 4.077 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.092 -9.561 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 74 0.003 -7.576 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.151 -7.540 5.199 1.00 0.00 H new ATOM 1141 N SER A 75 2.998 -11.167 1.509 1.00 0.00 N ATOM 1142 CA SER A 75 2.784 -11.893 0.262 1.00 0.00 C ATOM 1143 C SER A 75 2.184 -13.269 0.531 1.00 0.00 C ATOM 1144 O SER A 75 2.853 -14.159 1.055 1.00 0.00 O ATOM 1145 CB SER A 75 4.101 -12.038 -0.501 1.00 0.00 C ATOM 1146 OG SER A 75 4.689 -10.773 -0.751 1.00 0.00 O ATOM 0 H SER A 75 3.924 -11.294 1.917 1.00 0.00 H new ATOM 0 HA SER A 75 2.082 -11.322 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.791 -12.656 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.923 -12.552 -1.445 1.00 0.00 H new ATOM 0 HG SER A 75 5.531 -10.894 -1.238 1.00 0.00 H new ATOM 1152 N GLY A 76 0.915 -13.436 0.169 1.00 0.00 N ATOM 1153 CA GLY A 76 0.245 -14.706 0.379 1.00 0.00 C ATOM 1154 C GLY A 76 0.857 -15.827 -0.438 1.00 0.00 C ATOM 1155 O GLY A 76 1.983 -15.725 -0.926 1.00 0.00 O ATOM 0 H GLY A 76 0.340 -12.715 -0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.289 -14.966 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.809 -14.605 0.119 1.00 0.00 H new ATOM 1159 N PRO A 77 0.107 -16.928 -0.595 1.00 0.00 N ATOM 1160 CA PRO A 77 0.562 -18.094 -1.357 1.00 0.00 C ATOM 1161 C PRO A 77 0.640 -17.814 -2.854 1.00 0.00 C ATOM 1162 O PRO A 77 -0.206 -17.112 -3.409 1.00 0.00 O ATOM 1163 CB PRO A 77 -0.508 -19.149 -1.065 1.00 0.00 C ATOM 1164 CG PRO A 77 -1.729 -18.366 -0.727 1.00 0.00 C ATOM 1165 CD PRO A 77 -1.244 -17.118 -0.041 1.00 0.00 C ATOM 0 HA PRO A 77 1.569 -18.399 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.676 -19.792 -1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.211 -19.796 -0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.297 -18.122 -1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.391 -18.937 -0.076 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.889 -16.266 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.221 -17.238 1.042 1.00 0.00 H new ATOM 1173 N SER A 78 1.659 -18.367 -3.503 1.00 0.00 N ATOM 1174 CA SER A 78 1.849 -18.174 -4.936 1.00 0.00 C ATOM 1175 C SER A 78 1.156 -19.278 -5.729 1.00 0.00 C ATOM 1176 O SER A 78 0.889 -20.360 -5.206 1.00 0.00 O ATOM 1177 CB SER A 78 3.341 -18.146 -5.275 1.00 0.00 C ATOM 1178 OG SER A 78 3.947 -19.400 -5.012 1.00 0.00 O ATOM 0 H SER A 78 2.366 -18.953 -3.059 1.00 0.00 H new ATOM 0 HA SER A 78 1.403 -17.218 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 78 3.474 -17.888 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.835 -17.370 -4.691 1.00 0.00 H new ATOM 0 HG SER A 78 4.900 -19.357 -5.238 1.00 0.00 H new ATOM 1184 N SER A 79 0.866 -18.995 -6.995 1.00 0.00 N ATOM 1185 CA SER A 79 0.200 -19.961 -7.861 1.00 0.00 C ATOM 1186 C SER A 79 1.121 -20.398 -8.997 1.00 0.00 C ATOM 1187 O SER A 79 1.452 -21.576 -9.124 1.00 0.00 O ATOM 1188 CB SER A 79 -1.086 -19.363 -8.434 1.00 0.00 C ATOM 1189 OG SER A 79 -1.909 -20.369 -8.998 1.00 0.00 O ATOM 0 H SER A 79 1.082 -18.105 -7.444 1.00 0.00 H new ATOM 0 HA SER A 79 -0.050 -20.836 -7.262 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.631 -18.842 -7.647 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.839 -18.622 -9.194 1.00 0.00 H new ATOM 0 HG SER A 79 -2.725 -19.961 -9.356 1.00 0.00 H new ATOM 1195 N GLY A 80 1.531 -19.438 -9.820 1.00 0.00 N ATOM 1196 CA GLY A 80 2.409 -19.742 -10.935 1.00 0.00 C ATOM 1197 C GLY A 80 1.927 -19.133 -12.236 1.00 0.00 C ATOM 1198 O GLY A 80 2.329 -18.027 -12.599 1.00 0.00 O ATOM 0 H GLY A 80 1.271 -18.455 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.411 -19.374 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.484 -20.823 -11.050 1.00 0.00 H new TER 1202 GLY A 80