USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 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+ -126:sc= 0.098 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -54:sc= 0.0361 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 : no HD1:sc= -0.0479 X(o=-0.048,f=-0.049) USER MOD Single : A 15 THR OG1 : rot -129:sc= -0.836 USER MOD Single : A 16 TYR OH : rot -167:sc= 0.467 USER MOD Single : A 19 GLN : amide:sc= -1.47! K(o=-1.5!,f=-0.95) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -22:sc= 0.464 USER MOD Single : A 30 THR OG1 : rot 165:sc= 0.0152 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 32 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.78) USER MOD Single : A 38 MET CE :methyl -136:sc= -0.0661 (180deg=-0.358) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -54:sc= 0.0108 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 160:sc= 0.0171 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 60 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.46) USER MOD Single : A 62 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.062) USER MOD Single : A 70 ASN : amide:sc= -0.0396 K(o=-0.04,f=-0.68) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 60:sc= 0.655 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.083 -4.672 5.581 1.00 0.00 N ATOM 2 CA GLY A 1 13.601 -5.647 6.523 1.00 0.00 C ATOM 3 C GLY A 1 15.035 -5.362 6.922 1.00 0.00 C ATOM 4 O GLY A 1 15.585 -4.315 6.581 1.00 0.00 O ATOM 0 H1 GLY A 1 12.198 -4.270 5.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.780 -3.912 5.449 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.899 -5.135 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.974 -5.655 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.541 -6.642 6.082 1.00 0.00 H new ATOM 8 N SER A 2 15.642 -6.295 7.649 1.00 0.00 N ATOM 9 CA SER A 2 17.020 -6.136 8.100 1.00 0.00 C ATOM 10 C SER A 2 17.992 -6.773 7.112 1.00 0.00 C ATOM 11 O SER A 2 18.088 -7.997 7.019 1.00 0.00 O ATOM 12 CB SER A 2 17.200 -6.761 9.485 1.00 0.00 C ATOM 13 OG SER A 2 16.302 -6.192 10.422 1.00 0.00 O ATOM 0 H SER A 2 15.202 -7.168 7.938 1.00 0.00 H new ATOM 0 HA SER A 2 17.237 -5.069 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.036 -7.837 9.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.226 -6.613 9.824 1.00 0.00 H new ATOM 0 HG SER A 2 16.436 -6.609 11.298 1.00 0.00 H new ATOM 19 N SER A 3 18.713 -5.933 6.376 1.00 0.00 N ATOM 20 CA SER A 3 19.675 -6.413 5.391 1.00 0.00 C ATOM 21 C SER A 3 19.013 -7.371 4.405 1.00 0.00 C ATOM 22 O SER A 3 19.580 -8.403 4.050 1.00 0.00 O ATOM 23 CB SER A 3 20.846 -7.109 6.088 1.00 0.00 C ATOM 24 OG SER A 3 21.973 -7.190 5.233 1.00 0.00 O ATOM 0 H SER A 3 18.649 -4.917 6.443 1.00 0.00 H new ATOM 0 HA SER A 3 20.050 -5.552 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.111 -6.563 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.547 -8.111 6.396 1.00 0.00 H new ATOM 0 HG SER A 3 21.714 -7.617 4.390 1.00 0.00 H new ATOM 30 N GLY A 4 17.808 -7.019 3.967 1.00 0.00 N ATOM 31 CA GLY A 4 17.087 -7.858 3.027 1.00 0.00 C ATOM 32 C GLY A 4 16.889 -9.270 3.543 1.00 0.00 C ATOM 33 O GLY A 4 17.577 -10.196 3.113 1.00 0.00 O ATOM 0 H GLY A 4 17.318 -6.169 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.115 -7.411 2.818 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.632 -7.892 2.084 1.00 0.00 H new ATOM 37 N SER A 5 15.949 -9.434 4.467 1.00 0.00 N ATOM 38 CA SER A 5 15.667 -10.743 5.046 1.00 0.00 C ATOM 39 C SER A 5 14.636 -11.495 4.210 1.00 0.00 C ATOM 40 O SER A 5 13.501 -11.046 4.051 1.00 0.00 O ATOM 41 CB SER A 5 15.162 -10.590 6.482 1.00 0.00 C ATOM 42 OG SER A 5 14.909 -11.854 7.071 1.00 0.00 O ATOM 0 H SER A 5 15.370 -8.678 4.831 1.00 0.00 H new ATOM 0 HA SER A 5 16.593 -11.318 5.053 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.900 -10.050 7.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.250 -9.993 6.488 1.00 0.00 H new ATOM 0 HG SER A 5 14.589 -11.729 7.989 1.00 0.00 H new ATOM 48 N SER A 6 15.041 -12.644 3.677 1.00 0.00 N ATOM 49 CA SER A 6 14.155 -13.459 2.854 1.00 0.00 C ATOM 50 C SER A 6 12.918 -13.881 3.641 1.00 0.00 C ATOM 51 O SER A 6 12.999 -14.703 4.552 1.00 0.00 O ATOM 52 CB SER A 6 14.895 -14.696 2.342 1.00 0.00 C ATOM 53 OG SER A 6 14.371 -15.125 1.097 1.00 0.00 O ATOM 0 H SER A 6 15.977 -13.031 3.801 1.00 0.00 H new ATOM 0 HA SER A 6 13.835 -12.858 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.956 -14.471 2.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.812 -15.501 3.072 1.00 0.00 H new ATOM 0 HG SER A 6 14.862 -15.916 0.790 1.00 0.00 H new ATOM 59 N GLY A 7 11.772 -13.311 3.281 1.00 0.00 N ATOM 60 CA GLY A 7 10.533 -13.639 3.962 1.00 0.00 C ATOM 61 C GLY A 7 10.294 -12.770 5.180 1.00 0.00 C ATOM 62 O GLY A 7 11.190 -12.580 6.003 1.00 0.00 O ATOM 0 H GLY A 7 11.680 -12.628 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.700 -13.525 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.554 -14.686 4.265 1.00 0.00 H new ATOM 66 N VAL A 8 9.081 -12.238 5.297 1.00 0.00 N ATOM 67 CA VAL A 8 8.726 -11.383 6.424 1.00 0.00 C ATOM 68 C VAL A 8 7.890 -12.143 7.448 1.00 0.00 C ATOM 69 O VAL A 8 6.661 -12.079 7.432 1.00 0.00 O ATOM 70 CB VAL A 8 7.945 -10.140 5.960 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.504 -9.309 7.156 1.00 0.00 C ATOM 72 CG2 VAL A 8 8.787 -9.308 5.004 1.00 0.00 C ATOM 0 H VAL A 8 8.328 -12.384 4.625 1.00 0.00 H new ATOM 0 HA VAL A 8 9.660 -11.064 6.887 1.00 0.00 H new ATOM 0 HB VAL A 8 7.053 -10.471 5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.954 -8.435 6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.862 -9.910 7.800 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.381 -8.986 7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.219 -8.433 4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.698 -8.986 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.047 -9.908 4.132 1.00 0.00 H new ATOM 82 N HIS A 9 8.566 -12.862 8.338 1.00 0.00 N ATOM 83 CA HIS A 9 7.885 -13.634 9.372 1.00 0.00 C ATOM 84 C HIS A 9 6.854 -12.777 10.100 1.00 0.00 C ATOM 85 O HIS A 9 5.661 -13.079 10.089 1.00 0.00 O ATOM 86 CB HIS A 9 8.898 -14.193 10.371 1.00 0.00 C ATOM 87 CG HIS A 9 9.948 -15.055 9.741 1.00 0.00 C ATOM 88 ND1 HIS A 9 11.300 -14.839 9.908 1.00 0.00 N ATOM 89 CD2 HIS A 9 9.839 -16.141 8.940 1.00 0.00 C ATOM 90 CE1 HIS A 9 11.976 -15.753 9.236 1.00 0.00 C ATOM 91 NE2 HIS A 9 11.113 -16.556 8.641 1.00 0.00 N ATOM 0 H HIS A 9 9.584 -12.926 8.364 1.00 0.00 H new ATOM 0 HA HIS A 9 7.367 -14.463 8.890 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.382 -13.364 10.887 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.368 -14.773 11.126 1.00 0.00 H new ATOM 0 HD2 HIS A 9 8.921 -16.596 8.600 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.052 -15.831 9.182 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.354 -17.355 8.054 1.00 0.00 H new ATOM 100 N VAL A 10 7.324 -11.706 10.734 1.00 0.00 N ATOM 101 CA VAL A 10 6.443 -10.805 11.467 1.00 0.00 C ATOM 102 C VAL A 10 5.294 -10.323 10.588 1.00 0.00 C ATOM 103 O VAL A 10 5.147 -10.761 9.448 1.00 0.00 O ATOM 104 CB VAL A 10 7.212 -9.583 12.004 1.00 0.00 C ATOM 105 CG1 VAL A 10 7.704 -9.842 13.420 1.00 0.00 C ATOM 106 CG2 VAL A 10 8.372 -9.237 11.083 1.00 0.00 C ATOM 0 H VAL A 10 8.309 -11.442 10.754 1.00 0.00 H new ATOM 0 HA VAL A 10 6.040 -11.370 12.308 1.00 0.00 H new ATOM 0 HB VAL A 10 6.533 -8.731 12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.245 -8.968 13.783 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.852 -10.038 14.071 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.368 -10.706 13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.904 -8.371 11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.054 -10.085 11.022 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.991 -9.006 10.088 1.00 0.00 H new ATOM 116 N GLU A 11 4.483 -9.418 11.127 1.00 0.00 N ATOM 117 CA GLU A 11 3.347 -8.877 10.391 1.00 0.00 C ATOM 118 C GLU A 11 3.346 -7.352 10.436 1.00 0.00 C ATOM 119 O GLU A 11 3.116 -6.690 9.424 1.00 0.00 O ATOM 120 CB GLU A 11 2.035 -9.416 10.966 1.00 0.00 C ATOM 121 CG GLU A 11 1.879 -9.174 12.458 1.00 0.00 C ATOM 122 CD GLU A 11 2.858 -9.984 13.285 1.00 0.00 C ATOM 123 OE1 GLU A 11 2.592 -11.184 13.509 1.00 0.00 O ATOM 124 OE2 GLU A 11 3.887 -9.420 13.709 1.00 0.00 O ATOM 0 H GLU A 11 4.592 -9.045 12.070 1.00 0.00 H new ATOM 0 HA GLU A 11 3.437 -9.193 9.352 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.200 -8.951 10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.976 -10.487 10.772 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.022 -8.114 12.667 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.861 -9.424 12.759 1.00 0.00 H new ATOM 131 N ASP A 12 3.605 -6.800 11.617 1.00 0.00 N ATOM 132 CA ASP A 12 3.635 -5.353 11.795 1.00 0.00 C ATOM 133 C ASP A 12 2.601 -4.674 10.902 1.00 0.00 C ATOM 134 O ASP A 12 2.906 -3.702 10.212 1.00 0.00 O ATOM 135 CB ASP A 12 5.031 -4.809 11.486 1.00 0.00 C ATOM 136 CG ASP A 12 5.981 -4.952 12.659 1.00 0.00 C ATOM 137 OD1 ASP A 12 6.230 -6.100 13.084 1.00 0.00 O ATOM 138 OD2 ASP A 12 6.475 -3.917 13.151 1.00 0.00 O ATOM 0 H ASP A 12 3.797 -7.333 12.465 1.00 0.00 H new ATOM 0 HA ASP A 12 3.390 -5.134 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.441 -5.336 10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.955 -3.757 11.210 1.00 0.00 H new ATOM 143 N ALA A 13 1.379 -5.194 10.919 1.00 0.00 N ATOM 144 CA ALA A 13 0.300 -4.638 10.112 1.00 0.00 C ATOM 145 C ALA A 13 -0.042 -3.220 10.556 1.00 0.00 C ATOM 146 O ALA A 13 0.190 -2.256 9.824 1.00 0.00 O ATOM 147 CB ALA A 13 -0.931 -5.529 10.190 1.00 0.00 C ATOM 0 H ALA A 13 1.111 -6.000 11.483 1.00 0.00 H new ATOM 0 HA ALA A 13 0.639 -4.595 9.077 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.729 -5.101 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.685 -6.523 9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.263 -5.601 11.226 1.00 0.00 H new ATOM 153 N LEU A 14 -0.596 -3.098 11.757 1.00 0.00 N ATOM 154 CA LEU A 14 -0.971 -1.796 12.298 1.00 0.00 C ATOM 155 C LEU A 14 0.142 -0.776 12.084 1.00 0.00 C ATOM 156 O LEU A 14 -0.119 0.402 11.837 1.00 0.00 O ATOM 157 CB LEU A 14 -1.289 -1.915 13.790 1.00 0.00 C ATOM 158 CG LEU A 14 -0.290 -2.712 14.628 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.811 -1.803 15.153 1.00 0.00 C ATOM 160 CD2 LEU A 14 -0.997 -3.413 15.778 1.00 0.00 C ATOM 0 H LEU A 14 -0.796 -3.885 12.375 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.860 -1.452 11.769 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.362 -0.910 14.207 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.271 -2.376 13.896 1.00 0.00 H new ATOM 0 HG LEU A 14 0.165 -3.471 13.991 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.513 -2.388 15.747 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.337 -1.347 14.314 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.373 -1.022 15.774 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.270 -3.975 16.364 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.480 -2.671 16.414 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.749 -4.095 15.381 1.00 0.00 H new ATOM 172 N THR A 15 1.386 -1.236 12.178 1.00 0.00 N ATOM 173 CA THR A 15 2.539 -0.365 11.993 1.00 0.00 C ATOM 174 C THR A 15 2.282 0.663 10.897 1.00 0.00 C ATOM 175 O THR A 15 2.337 1.869 11.138 1.00 0.00 O ATOM 176 CB THR A 15 3.802 -1.172 11.638 1.00 0.00 C ATOM 177 OG1 THR A 15 3.986 -2.234 12.580 1.00 0.00 O ATOM 178 CG2 THR A 15 5.032 -0.276 11.630 1.00 0.00 C ATOM 0 H THR A 15 1.620 -2.208 12.381 1.00 0.00 H new ATOM 0 HA THR A 15 2.700 0.150 12.940 1.00 0.00 H new ATOM 0 HB THR A 15 3.670 -1.591 10.640 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.903 -2.210 12.925 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.912 -0.868 11.377 1.00 0.00 H new ATOM 0 HG22 THR A 15 4.901 0.515 10.891 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.165 0.168 12.617 1.00 0.00 H new ATOM 186 N TYR A 16 2.001 0.179 9.693 1.00 0.00 N ATOM 187 CA TYR A 16 1.736 1.056 8.559 1.00 0.00 C ATOM 188 C TYR A 16 0.400 1.774 8.725 1.00 0.00 C ATOM 189 O TYR A 16 0.165 2.821 8.120 1.00 0.00 O ATOM 190 CB TYR A 16 1.739 0.255 7.256 1.00 0.00 C ATOM 191 CG TYR A 16 1.404 1.082 6.035 1.00 0.00 C ATOM 192 CD1 TYR A 16 0.124 1.590 5.846 1.00 0.00 C ATOM 193 CD2 TYR A 16 2.367 1.357 5.072 1.00 0.00 C ATOM 194 CE1 TYR A 16 -0.186 2.346 4.732 1.00 0.00 C ATOM 195 CE2 TYR A 16 2.066 2.113 3.956 1.00 0.00 C ATOM 196 CZ TYR A 16 0.787 2.605 3.790 1.00 0.00 C ATOM 197 OH TYR A 16 0.482 3.358 2.680 1.00 0.00 O ATOM 0 H TYR A 16 1.951 -0.817 9.477 1.00 0.00 H new ATOM 0 HA TYR A 16 2.527 1.805 8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 16 2.721 -0.197 7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.021 -0.561 7.340 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.641 1.390 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.368 0.973 5.198 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.186 2.732 4.600 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.827 2.318 3.217 1.00 0.00 H new ATOM 0 HH TYR A 16 1.204 3.277 2.022 1.00 0.00 H new ATOM 207 N LEU A 17 -0.471 1.204 9.550 1.00 0.00 N ATOM 208 CA LEU A 17 -1.785 1.788 9.798 1.00 0.00 C ATOM 209 C LEU A 17 -1.661 3.095 10.575 1.00 0.00 C ATOM 210 O LEU A 17 -2.172 4.132 10.150 1.00 0.00 O ATOM 211 CB LEU A 17 -2.665 0.804 10.570 1.00 0.00 C ATOM 212 CG LEU A 17 -4.169 1.076 10.532 1.00 0.00 C ATOM 213 CD1 LEU A 17 -4.471 2.478 11.037 1.00 0.00 C ATOM 214 CD2 LEU A 17 -4.710 0.887 9.122 1.00 0.00 C ATOM 0 H LEU A 17 -0.292 0.338 10.059 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.249 2.001 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.487 -0.197 10.177 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.343 0.799 11.611 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.665 0.361 11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.546 2.653 11.003 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.120 2.578 12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.964 3.209 10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.782 1.085 9.114 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.208 1.578 8.444 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.528 -0.137 8.797 1.00 0.00 H new ATOM 226 N ASP A 18 -0.979 3.038 11.713 1.00 0.00 N ATOM 227 CA ASP A 18 -0.786 4.218 12.548 1.00 0.00 C ATOM 228 C ASP A 18 -0.197 5.367 11.736 1.00 0.00 C ATOM 229 O ASP A 18 -0.521 6.532 11.967 1.00 0.00 O ATOM 230 CB ASP A 18 0.130 3.889 13.728 1.00 0.00 C ATOM 231 CG ASP A 18 -0.149 4.759 14.938 1.00 0.00 C ATOM 232 OD1 ASP A 18 -1.252 4.640 15.512 1.00 0.00 O ATOM 233 OD2 ASP A 18 0.734 5.560 15.310 1.00 0.00 O ATOM 0 H ASP A 18 -0.550 2.188 12.079 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.759 4.527 12.929 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.004 2.841 14.001 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.169 4.017 13.424 1.00 0.00 H new ATOM 238 N GLN A 19 0.671 5.031 10.787 1.00 0.00 N ATOM 239 CA GLN A 19 1.306 6.036 9.943 1.00 0.00 C ATOM 240 C GLN A 19 0.270 6.773 9.100 1.00 0.00 C ATOM 241 O GLN A 19 0.124 7.991 9.203 1.00 0.00 O ATOM 242 CB GLN A 19 2.349 5.383 9.034 1.00 0.00 C ATOM 243 CG GLN A 19 3.696 5.173 9.706 1.00 0.00 C ATOM 244 CD GLN A 19 4.581 4.202 8.950 1.00 0.00 C ATOM 245 OE1 GLN A 19 5.448 4.608 8.175 1.00 0.00 O ATOM 246 NE2 GLN A 19 4.367 2.911 9.171 1.00 0.00 N ATOM 0 H GLN A 19 0.950 4.071 10.584 1.00 0.00 H new ATOM 0 HA GLN A 19 1.800 6.759 10.592 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.969 4.420 8.692 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.487 6.004 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.207 6.132 9.794 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.538 4.802 10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.638 2.619 9.822 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.932 2.211 8.690 1.00 0.00 H new ATOM 255 N VAL A 20 -0.447 6.027 8.267 1.00 0.00 N ATOM 256 CA VAL A 20 -1.470 6.609 7.407 1.00 0.00 C ATOM 257 C VAL A 20 -2.511 7.365 8.225 1.00 0.00 C ATOM 258 O VAL A 20 -3.005 8.412 7.807 1.00 0.00 O ATOM 259 CB VAL A 20 -2.179 5.530 6.567 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.776 4.459 7.468 1.00 0.00 C ATOM 261 CG2 VAL A 20 -3.250 6.157 5.688 1.00 0.00 C ATOM 0 H VAL A 20 -0.338 5.018 8.169 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.962 7.304 6.738 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.442 5.056 5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.273 3.705 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.983 3.989 8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.501 4.914 8.143 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.740 5.380 5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.987 6.658 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.791 6.883 5.017 1.00 0.00 H new ATOM 271 N LYS A 21 -2.840 6.828 9.395 1.00 0.00 N ATOM 272 CA LYS A 21 -3.821 7.452 10.275 1.00 0.00 C ATOM 273 C LYS A 21 -3.372 8.851 10.686 1.00 0.00 C ATOM 274 O LYS A 21 -4.167 9.791 10.693 1.00 0.00 O ATOM 275 CB LYS A 21 -4.040 6.589 11.520 1.00 0.00 C ATOM 276 CG LYS A 21 -5.175 7.077 12.405 1.00 0.00 C ATOM 277 CD LYS A 21 -5.313 6.223 13.655 1.00 0.00 C ATOM 278 CE LYS A 21 -5.878 7.024 14.817 1.00 0.00 C ATOM 279 NZ LYS A 21 -6.663 6.169 15.751 1.00 0.00 N ATOM 0 H LYS A 21 -2.441 5.961 9.756 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.760 7.537 9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.246 5.564 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.119 6.566 12.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.996 8.114 12.689 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.110 7.057 11.844 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.964 5.374 13.447 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.339 5.818 13.930 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.062 7.501 15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.514 7.821 14.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.031 6.752 16.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.457 5.734 15.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.050 5.423 16.137 1.00 0.00 H new ATOM 293 N ILE A 22 -2.094 8.981 11.026 1.00 0.00 N ATOM 294 CA ILE A 22 -1.540 10.265 11.435 1.00 0.00 C ATOM 295 C ILE A 22 -1.337 11.184 10.234 1.00 0.00 C ATOM 296 O ILE A 22 -1.738 12.347 10.255 1.00 0.00 O ATOM 297 CB ILE A 22 -0.196 10.092 12.167 1.00 0.00 C ATOM 298 CG1 ILE A 22 -0.396 9.310 13.467 1.00 0.00 C ATOM 299 CG2 ILE A 22 0.433 11.448 12.449 1.00 0.00 C ATOM 300 CD1 ILE A 22 0.899 8.866 14.110 1.00 0.00 C ATOM 0 H ILE A 22 -1.423 8.213 11.026 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.260 10.716 12.118 1.00 0.00 H new ATOM 0 HB ILE A 22 0.480 9.527 11.525 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.949 9.930 14.173 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.010 8.433 13.263 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.382 11.308 12.967 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.606 11.971 11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.238 12.037 13.074 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.681 8.318 15.027 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.444 8.220 13.422 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.507 9.740 14.346 1.00 0.00 H new ATOM 312 N ARG A 23 -0.712 10.652 9.188 1.00 0.00 N ATOM 313 CA ARG A 23 -0.456 11.423 7.978 1.00 0.00 C ATOM 314 C ARG A 23 -1.684 12.238 7.583 1.00 0.00 C ATOM 315 O ARG A 23 -1.648 13.469 7.570 1.00 0.00 O ATOM 316 CB ARG A 23 -0.057 10.494 6.830 1.00 0.00 C ATOM 317 CG ARG A 23 0.669 11.201 5.698 1.00 0.00 C ATOM 318 CD ARG A 23 2.164 11.290 5.965 1.00 0.00 C ATOM 319 NE ARG A 23 2.783 9.971 6.056 1.00 0.00 N ATOM 320 CZ ARG A 23 4.087 9.760 5.913 1.00 0.00 C ATOM 321 NH1 ARG A 23 4.904 10.776 5.675 1.00 0.00 N ATOM 322 NH2 ARG A 23 4.575 8.530 6.009 1.00 0.00 N ATOM 0 H ARG A 23 -0.374 9.690 9.155 1.00 0.00 H new ATOM 0 HA ARG A 23 0.365 12.110 8.182 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.581 9.701 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.952 10.016 6.433 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.496 10.667 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.260 12.204 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.641 11.860 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.335 11.835 6.893 1.00 0.00 H new ATOM 0 HE ARG A 23 2.182 9.168 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.532 11.723 5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.905 10.611 5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.949 7.746 6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.576 8.369 5.899 1.00 0.00 H new ATOM 336 N PHE A 24 -2.771 11.544 7.261 1.00 0.00 N ATOM 337 CA PHE A 24 -4.009 12.203 6.864 1.00 0.00 C ATOM 338 C PHE A 24 -4.895 12.472 8.078 1.00 0.00 C ATOM 339 O PHE A 24 -6.102 12.234 8.044 1.00 0.00 O ATOM 340 CB PHE A 24 -4.765 11.346 5.847 1.00 0.00 C ATOM 341 CG PHE A 24 -4.050 11.203 4.534 1.00 0.00 C ATOM 342 CD1 PHE A 24 -4.059 12.235 3.610 1.00 0.00 C ATOM 343 CD2 PHE A 24 -3.368 10.037 4.225 1.00 0.00 C ATOM 344 CE1 PHE A 24 -3.402 12.105 2.400 1.00 0.00 C ATOM 345 CE2 PHE A 24 -2.709 9.902 3.018 1.00 0.00 C ATOM 346 CZ PHE A 24 -2.725 10.938 2.105 1.00 0.00 C ATOM 0 H PHE A 24 -2.819 10.525 7.267 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.752 13.157 6.404 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.931 10.356 6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.746 11.786 5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.585 13.151 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.351 9.224 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.418 12.915 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.182 8.987 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.209 10.836 1.162 1.00 0.00 H new ATOM 356 N GLY A 25 -4.285 12.970 9.149 1.00 0.00 N ATOM 357 CA GLY A 25 -5.032 13.263 10.359 1.00 0.00 C ATOM 358 C GLY A 25 -6.030 14.387 10.166 1.00 0.00 C ATOM 359 O GLY A 25 -7.231 14.201 10.360 1.00 0.00 O ATOM 0 H GLY A 25 -3.287 13.176 9.201 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.559 12.365 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.337 13.531 11.155 1.00 0.00 H new ATOM 363 N SER A 26 -5.533 15.559 9.783 1.00 0.00 N ATOM 364 CA SER A 26 -6.388 16.720 9.570 1.00 0.00 C ATOM 365 C SER A 26 -7.201 16.567 8.288 1.00 0.00 C ATOM 366 O SER A 26 -8.067 17.389 7.987 1.00 0.00 O ATOM 367 CB SER A 26 -5.546 17.996 9.504 1.00 0.00 C ATOM 368 OG SER A 26 -6.359 19.131 9.260 1.00 0.00 O ATOM 0 H SER A 26 -4.542 15.729 9.614 1.00 0.00 H new ATOM 0 HA SER A 26 -7.077 16.792 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.005 18.127 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.800 17.903 8.715 1.00 0.00 H new ATOM 0 HG SER A 26 -7.202 18.847 8.848 1.00 0.00 H new ATOM 374 N ASP A 27 -6.916 15.509 7.537 1.00 0.00 N ATOM 375 CA ASP A 27 -7.620 15.246 6.287 1.00 0.00 C ATOM 376 C ASP A 27 -8.350 13.908 6.346 1.00 0.00 C ATOM 377 O ASP A 27 -7.850 12.880 5.889 1.00 0.00 O ATOM 378 CB ASP A 27 -6.640 15.255 5.113 1.00 0.00 C ATOM 379 CG ASP A 27 -6.404 16.650 4.566 1.00 0.00 C ATOM 380 OD1 ASP A 27 -7.386 17.295 4.143 1.00 0.00 O ATOM 381 OD2 ASP A 27 -5.237 17.096 4.561 1.00 0.00 O ATOM 0 H ASP A 27 -6.202 14.819 7.772 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.357 16.036 6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.690 14.828 5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.024 14.616 4.318 1.00 0.00 H new ATOM 386 N PRO A 28 -9.561 13.919 6.923 1.00 0.00 N ATOM 387 CA PRO A 28 -10.386 12.714 7.056 1.00 0.00 C ATOM 388 C PRO A 28 -10.921 12.227 5.713 1.00 0.00 C ATOM 389 O PRO A 28 -11.220 11.046 5.546 1.00 0.00 O ATOM 390 CB PRO A 28 -11.536 13.170 7.957 1.00 0.00 C ATOM 391 CG PRO A 28 -11.625 14.641 7.743 1.00 0.00 C ATOM 392 CD PRO A 28 -10.219 15.109 7.489 1.00 0.00 C ATOM 0 HA PRO A 28 -9.820 11.874 7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.469 12.674 7.689 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.338 12.933 9.002 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.272 14.874 6.897 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.050 15.137 8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.194 15.950 6.796 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.733 15.439 8.407 1.00 0.00 H new ATOM 400 N ALA A 29 -11.039 13.146 4.760 1.00 0.00 N ATOM 401 CA ALA A 29 -11.536 12.809 3.432 1.00 0.00 C ATOM 402 C ALA A 29 -10.715 11.686 2.807 1.00 0.00 C ATOM 403 O ALA A 29 -11.264 10.743 2.238 1.00 0.00 O ATOM 404 CB ALA A 29 -11.522 14.038 2.536 1.00 0.00 C ATOM 0 H ALA A 29 -10.797 14.129 4.883 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.563 12.459 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.896 13.772 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.158 14.811 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.502 14.414 2.449 1.00 0.00 H new ATOM 410 N THR A 30 -9.394 11.795 2.915 1.00 0.00 N ATOM 411 CA THR A 30 -8.497 10.790 2.359 1.00 0.00 C ATOM 412 C THR A 30 -8.624 9.466 3.104 1.00 0.00 C ATOM 413 O THR A 30 -8.892 8.426 2.501 1.00 0.00 O ATOM 414 CB THR A 30 -7.030 11.256 2.412 1.00 0.00 C ATOM 415 OG1 THR A 30 -6.873 12.466 1.662 1.00 0.00 O ATOM 416 CG2 THR A 30 -6.101 10.186 1.856 1.00 0.00 C ATOM 0 H THR A 30 -8.922 12.569 3.382 1.00 0.00 H new ATOM 0 HA THR A 30 -8.789 10.648 1.318 1.00 0.00 H new ATOM 0 HB THR A 30 -6.767 11.437 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.017 12.884 1.892 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.071 10.538 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.201 9.275 2.446 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.365 9.978 0.819 1.00 0.00 H new ATOM 424 N TYR A 31 -8.432 9.511 4.417 1.00 0.00 N ATOM 425 CA TYR A 31 -8.524 8.314 5.245 1.00 0.00 C ATOM 426 C TYR A 31 -9.818 7.556 4.965 1.00 0.00 C ATOM 427 O TYR A 31 -9.806 6.348 4.734 1.00 0.00 O ATOM 428 CB TYR A 31 -8.447 8.685 6.726 1.00 0.00 C ATOM 429 CG TYR A 31 -7.976 7.553 7.611 1.00 0.00 C ATOM 430 CD1 TYR A 31 -6.753 6.933 7.388 1.00 0.00 C ATOM 431 CD2 TYR A 31 -8.754 7.104 8.671 1.00 0.00 C ATOM 432 CE1 TYR A 31 -6.318 5.898 8.193 1.00 0.00 C ATOM 433 CE2 TYR A 31 -8.327 6.070 9.482 1.00 0.00 C ATOM 434 CZ TYR A 31 -7.109 5.470 9.239 1.00 0.00 C ATOM 435 OH TYR A 31 -6.680 4.440 10.044 1.00 0.00 O ATOM 0 H TYR A 31 -8.212 10.364 4.932 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.684 7.666 4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.772 9.533 6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.431 9.012 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.131 7.266 6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.708 7.571 8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.365 5.427 8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.944 5.733 10.302 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.353 4.262 10.734 1.00 0.00 H new ATOM 445 N ASN A 32 -10.934 8.277 4.987 1.00 0.00 N ATOM 446 CA ASN A 32 -12.239 7.675 4.736 1.00 0.00 C ATOM 447 C ASN A 32 -12.171 6.699 3.565 1.00 0.00 C ATOM 448 O ASN A 32 -12.468 5.514 3.712 1.00 0.00 O ATOM 449 CB ASN A 32 -13.278 8.760 4.450 1.00 0.00 C ATOM 450 CG ASN A 32 -13.805 9.404 5.718 1.00 0.00 C ATOM 451 OD1 ASN A 32 -14.027 8.730 6.724 1.00 0.00 O ATOM 452 ND2 ASN A 32 -14.009 10.716 5.674 1.00 0.00 N ATOM 0 H ASN A 32 -10.961 9.279 5.176 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.535 7.124 5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.834 9.526 3.814 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.109 8.326 3.894 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.364 11.205 6.496 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.811 11.234 4.818 1.00 0.00 H new ATOM 459 N GLY A 33 -11.776 7.206 2.401 1.00 0.00 N ATOM 460 CA GLY A 33 -11.675 6.366 1.222 1.00 0.00 C ATOM 461 C GLY A 33 -10.878 5.102 1.476 1.00 0.00 C ATOM 462 O GLY A 33 -11.199 4.039 0.945 1.00 0.00 O ATOM 0 H GLY A 33 -11.524 8.183 2.254 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.676 6.099 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.207 6.931 0.416 1.00 0.00 H new ATOM 466 N PHE A 34 -9.833 5.218 2.290 1.00 0.00 N ATOM 467 CA PHE A 34 -8.985 4.076 2.612 1.00 0.00 C ATOM 468 C PHE A 34 -9.750 3.046 3.438 1.00 0.00 C ATOM 469 O PHE A 34 -9.545 1.840 3.293 1.00 0.00 O ATOM 470 CB PHE A 34 -7.741 4.536 3.375 1.00 0.00 C ATOM 471 CG PHE A 34 -6.898 3.403 3.886 1.00 0.00 C ATOM 472 CD1 PHE A 34 -6.236 2.563 3.005 1.00 0.00 C ATOM 473 CD2 PHE A 34 -6.767 3.178 5.246 1.00 0.00 C ATOM 474 CE1 PHE A 34 -5.460 1.520 3.472 1.00 0.00 C ATOM 475 CE2 PHE A 34 -5.992 2.137 5.720 1.00 0.00 C ATOM 476 CZ PHE A 34 -5.336 1.307 4.831 1.00 0.00 C ATOM 0 H PHE A 34 -9.554 6.091 2.738 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.677 3.609 1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.135 5.163 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.049 5.157 4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.328 2.726 1.941 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.277 3.824 5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.950 0.871 2.775 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.899 1.972 6.783 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.728 0.494 5.198 1.00 0.00 H new ATOM 486 N LEU A 35 -10.633 3.530 4.305 1.00 0.00 N ATOM 487 CA LEU A 35 -11.430 2.652 5.155 1.00 0.00 C ATOM 488 C LEU A 35 -12.333 1.754 4.317 1.00 0.00 C ATOM 489 O LEU A 35 -12.246 0.529 4.391 1.00 0.00 O ATOM 490 CB LEU A 35 -12.274 3.480 6.126 1.00 0.00 C ATOM 491 CG LEU A 35 -11.561 3.970 7.387 1.00 0.00 C ATOM 492 CD1 LEU A 35 -12.392 5.030 8.092 1.00 0.00 C ATOM 493 CD2 LEU A 35 -11.272 2.806 8.323 1.00 0.00 C ATOM 0 H LEU A 35 -10.815 4.525 4.438 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.748 2.020 5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.660 4.348 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.134 2.883 6.428 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.612 4.418 7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.869 5.367 8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.547 5.876 7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.357 4.608 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -10.764 3.174 9.215 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.209 2.328 8.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.635 2.081 7.816 1.00 0.00 H new ATOM 505 N GLU A 36 -13.198 2.372 3.518 1.00 0.00 N ATOM 506 CA GLU A 36 -14.115 1.627 2.665 1.00 0.00 C ATOM 507 C GLU A 36 -13.396 0.478 1.965 1.00 0.00 C ATOM 508 O GLU A 36 -13.894 -0.648 1.925 1.00 0.00 O ATOM 509 CB GLU A 36 -14.748 2.555 1.626 1.00 0.00 C ATOM 510 CG GLU A 36 -16.007 3.250 2.117 1.00 0.00 C ATOM 511 CD GLU A 36 -16.530 4.276 1.130 1.00 0.00 C ATOM 512 OE1 GLU A 36 -15.947 5.378 1.055 1.00 0.00 O ATOM 513 OE2 GLU A 36 -17.522 3.976 0.433 1.00 0.00 O ATOM 0 H GLU A 36 -13.282 3.386 3.444 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.900 1.210 3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.018 3.309 1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.987 1.977 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.780 2.504 2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.800 3.740 3.069 1.00 0.00 H new ATOM 520 N ILE A 37 -12.223 0.770 1.414 1.00 0.00 N ATOM 521 CA ILE A 37 -11.434 -0.238 0.716 1.00 0.00 C ATOM 522 C ILE A 37 -11.339 -1.523 1.532 1.00 0.00 C ATOM 523 O ILE A 37 -11.790 -2.581 1.096 1.00 0.00 O ATOM 524 CB ILE A 37 -10.013 0.271 0.411 1.00 0.00 C ATOM 525 CG1 ILE A 37 -10.073 1.520 -0.470 1.00 0.00 C ATOM 526 CG2 ILE A 37 -9.193 -0.820 -0.262 1.00 0.00 C ATOM 527 CD1 ILE A 37 -8.831 2.380 -0.384 1.00 0.00 C ATOM 0 H ILE A 37 -11.798 1.697 1.437 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.946 -0.445 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.528 0.536 1.351 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.224 1.217 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.939 2.116 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.191 -0.445 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.126 -1.685 0.398 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.673 -1.113 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.943 3.248 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.690 2.713 0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.964 1.800 -0.700 1.00 0.00 H new ATOM 539 N MET A 38 -10.749 -1.421 2.718 1.00 0.00 N ATOM 540 CA MET A 38 -10.597 -2.575 3.597 1.00 0.00 C ATOM 541 C MET A 38 -11.918 -3.322 3.747 1.00 0.00 C ATOM 542 O MET A 38 -11.970 -4.546 3.617 1.00 0.00 O ATOM 543 CB MET A 38 -10.090 -2.133 4.971 1.00 0.00 C ATOM 544 CG MET A 38 -8.801 -1.329 4.913 1.00 0.00 C ATOM 545 SD MET A 38 -7.639 -1.967 3.690 1.00 0.00 S ATOM 546 CE MET A 38 -7.367 -3.624 4.314 1.00 0.00 C ATOM 0 H MET A 38 -10.368 -0.552 3.093 1.00 0.00 H new ATOM 0 HA MET A 38 -9.868 -3.249 3.147 1.00 0.00 H new ATOM 0 HB2 MET A 38 -10.860 -1.535 5.458 1.00 0.00 H new ATOM 0 HB3 MET A 38 -9.931 -3.015 5.592 1.00 0.00 H new ATOM 0 HG2 MET A 38 -9.035 -0.291 4.679 1.00 0.00 H new ATOM 0 HG3 MET A 38 -8.329 -1.336 5.895 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.303 -3.857 4.275 1.00 0.00 H new ATOM 0 HE2 MET A 38 -7.715 -3.686 5.345 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.918 -4.338 3.702 1.00 0.00 H new ATOM 556 N LYS A 39 -12.986 -2.579 4.020 1.00 0.00 N ATOM 557 CA LYS A 39 -14.308 -3.171 4.186 1.00 0.00 C ATOM 558 C LYS A 39 -14.611 -4.152 3.058 1.00 0.00 C ATOM 559 O LYS A 39 -15.200 -5.208 3.284 1.00 0.00 O ATOM 560 CB LYS A 39 -15.377 -2.077 4.226 1.00 0.00 C ATOM 561 CG LYS A 39 -15.172 -1.066 5.341 1.00 0.00 C ATOM 562 CD LYS A 39 -16.456 -0.317 5.658 1.00 0.00 C ATOM 563 CE LYS A 39 -16.172 1.009 6.346 1.00 0.00 C ATOM 564 NZ LYS A 39 -17.378 1.545 7.036 1.00 0.00 N ATOM 0 H LYS A 39 -12.961 -1.565 4.131 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.319 -3.716 5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.385 -1.554 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -16.356 -2.542 4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.817 -1.577 6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.397 -0.356 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.011 -0.139 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.089 -0.932 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.368 0.878 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.823 1.733 5.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.143 2.450 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.138 1.694 6.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.696 0.866 7.756 1.00 0.00 H new ATOM 578 N GLU A 40 -14.203 -3.795 1.844 1.00 0.00 N ATOM 579 CA GLU A 40 -14.431 -4.645 0.682 1.00 0.00 C ATOM 580 C GLU A 40 -13.640 -5.946 0.795 1.00 0.00 C ATOM 581 O GLU A 40 -14.213 -7.036 0.795 1.00 0.00 O ATOM 582 CB GLU A 40 -14.041 -3.909 -0.602 1.00 0.00 C ATOM 583 CG GLU A 40 -15.020 -2.816 -0.997 1.00 0.00 C ATOM 584 CD GLU A 40 -16.207 -3.349 -1.776 1.00 0.00 C ATOM 585 OE1 GLU A 40 -16.120 -3.411 -3.020 1.00 0.00 O ATOM 586 OE2 GLU A 40 -17.222 -3.703 -1.141 1.00 0.00 O ATOM 0 H GLU A 40 -13.713 -2.924 1.640 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.493 -4.887 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.052 -3.470 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.966 -4.630 -1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.377 -2.311 -0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.502 -2.069 -1.598 1.00 0.00 H new ATOM 593 N PHE A 41 -12.321 -5.822 0.891 1.00 0.00 N ATOM 594 CA PHE A 41 -11.450 -6.986 1.004 1.00 0.00 C ATOM 595 C PHE A 41 -11.992 -7.973 2.033 1.00 0.00 C ATOM 596 O PHE A 41 -12.062 -9.176 1.781 1.00 0.00 O ATOM 597 CB PHE A 41 -10.034 -6.555 1.391 1.00 0.00 C ATOM 598 CG PHE A 41 -9.010 -7.641 1.225 1.00 0.00 C ATOM 599 CD1 PHE A 41 -8.740 -8.172 -0.027 1.00 0.00 C ATOM 600 CD2 PHE A 41 -8.318 -8.132 2.320 1.00 0.00 C ATOM 601 CE1 PHE A 41 -7.798 -9.171 -0.183 1.00 0.00 C ATOM 602 CE2 PHE A 41 -7.375 -9.132 2.170 1.00 0.00 C ATOM 603 CZ PHE A 41 -7.115 -9.652 0.917 1.00 0.00 C ATOM 0 H PHE A 41 -11.831 -4.927 0.893 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.419 -7.480 0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.745 -5.698 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -10.035 -6.223 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.272 -7.801 -0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.517 -7.729 3.302 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.596 -9.575 -1.164 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.842 -9.506 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.379 -10.433 0.798 1.00 0.00 H new ATOM 613 N LYS A 42 -12.374 -7.456 3.196 1.00 0.00 N ATOM 614 CA LYS A 42 -12.911 -8.289 4.265 1.00 0.00 C ATOM 615 C LYS A 42 -14.173 -9.015 3.808 1.00 0.00 C ATOM 616 O LYS A 42 -14.376 -10.187 4.126 1.00 0.00 O ATOM 617 CB LYS A 42 -13.219 -7.437 5.498 1.00 0.00 C ATOM 618 CG LYS A 42 -12.028 -7.254 6.423 1.00 0.00 C ATOM 619 CD LYS A 42 -12.164 -5.996 7.264 1.00 0.00 C ATOM 620 CE LYS A 42 -12.934 -6.264 8.548 1.00 0.00 C ATOM 621 NZ LYS A 42 -12.031 -6.667 9.662 1.00 0.00 N ATOM 0 H LYS A 42 -12.321 -6.463 3.422 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.158 -9.033 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.571 -6.458 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.034 -7.900 6.055 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.937 -8.122 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.113 -7.202 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.174 -5.610 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.674 -5.225 6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.486 -5.369 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.669 -7.050 8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.594 -6.841 10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.522 -7.535 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.346 -5.907 9.846 1.00 0.00 H new ATOM 635 N SER A 43 -15.016 -8.312 3.060 1.00 0.00 N ATOM 636 CA SER A 43 -16.259 -8.889 2.561 1.00 0.00 C ATOM 637 C SER A 43 -16.024 -9.638 1.253 1.00 0.00 C ATOM 638 O SER A 43 -16.921 -9.743 0.417 1.00 0.00 O ATOM 639 CB SER A 43 -17.307 -7.794 2.354 1.00 0.00 C ATOM 640 OG SER A 43 -18.620 -8.325 2.420 1.00 0.00 O ATOM 0 H SER A 43 -14.861 -7.342 2.786 1.00 0.00 H new ATOM 0 HA SER A 43 -16.626 -9.597 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.185 -7.022 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.153 -7.317 1.386 1.00 0.00 H new ATOM 0 HG SER A 43 -18.707 -9.063 1.782 1.00 0.00 H new ATOM 646 N GLN A 44 -14.811 -10.155 1.085 1.00 0.00 N ATOM 647 CA GLN A 44 -14.457 -10.894 -0.122 1.00 0.00 C ATOM 648 C GLN A 44 -15.029 -10.216 -1.363 1.00 0.00 C ATOM 649 O GLN A 44 -15.484 -10.883 -2.292 1.00 0.00 O ATOM 650 CB GLN A 44 -14.967 -12.333 -0.032 1.00 0.00 C ATOM 651 CG GLN A 44 -14.447 -13.088 1.181 1.00 0.00 C ATOM 652 CD GLN A 44 -14.415 -14.588 0.965 1.00 0.00 C ATOM 653 OE1 GLN A 44 -15.438 -15.265 1.075 1.00 0.00 O ATOM 654 NE2 GLN A 44 -13.237 -15.117 0.657 1.00 0.00 N ATOM 0 H GLN A 44 -14.058 -10.076 1.768 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.370 -10.906 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -16.057 -12.322 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.677 -12.870 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.443 -12.738 1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.076 -12.862 2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.415 -14.519 0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.154 -16.122 0.501 1.00 0.00 H new ATOM 663 N SER A 45 -15.003 -8.887 -1.370 1.00 0.00 N ATOM 664 CA SER A 45 -15.522 -8.119 -2.495 1.00 0.00 C ATOM 665 C SER A 45 -14.443 -7.906 -3.553 1.00 0.00 C ATOM 666 O SER A 45 -14.683 -8.093 -4.746 1.00 0.00 O ATOM 667 CB SER A 45 -16.055 -6.767 -2.015 1.00 0.00 C ATOM 668 OG SER A 45 -17.112 -6.312 -2.841 1.00 0.00 O ATOM 0 H SER A 45 -14.628 -8.320 -0.609 1.00 0.00 H new ATOM 0 HA SER A 45 -16.338 -8.686 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 45 -16.405 -6.855 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.248 -6.034 -2.015 1.00 0.00 H new ATOM 0 HG SER A 45 -17.639 -5.642 -2.358 1.00 0.00 H new ATOM 674 N ILE A 46 -13.255 -7.515 -3.106 1.00 0.00 N ATOM 675 CA ILE A 46 -12.138 -7.278 -4.012 1.00 0.00 C ATOM 676 C ILE A 46 -11.058 -8.340 -3.843 1.00 0.00 C ATOM 677 O ILE A 46 -11.112 -9.155 -2.921 1.00 0.00 O ATOM 678 CB ILE A 46 -11.516 -5.888 -3.787 1.00 0.00 C ATOM 679 CG1 ILE A 46 -11.005 -5.760 -2.350 1.00 0.00 C ATOM 680 CG2 ILE A 46 -12.531 -4.797 -4.093 1.00 0.00 C ATOM 681 CD1 ILE A 46 -10.196 -4.505 -2.106 1.00 0.00 C ATOM 0 H ILE A 46 -13.041 -7.355 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.537 -7.328 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.671 -5.771 -4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.855 -5.773 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.392 -6.630 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.076 -3.820 -3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.851 -4.879 -5.132 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -13.395 -4.909 -3.438 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.867 -4.481 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.326 -4.499 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.812 -3.629 -2.312 1.00 0.00 H new ATOM 693 N ASP A 47 -10.075 -8.325 -4.737 1.00 0.00 N ATOM 694 CA ASP A 47 -8.979 -9.285 -4.685 1.00 0.00 C ATOM 695 C ASP A 47 -7.697 -8.620 -4.192 1.00 0.00 C ATOM 696 O ASP A 47 -7.679 -7.426 -3.893 1.00 0.00 O ATOM 697 CB ASP A 47 -8.749 -9.903 -6.065 1.00 0.00 C ATOM 698 CG ASP A 47 -10.024 -10.454 -6.673 1.00 0.00 C ATOM 699 OD1 ASP A 47 -10.332 -11.639 -6.430 1.00 0.00 O ATOM 700 OD2 ASP A 47 -10.713 -9.699 -7.391 1.00 0.00 O ATOM 0 H ASP A 47 -10.015 -7.658 -5.507 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.252 -10.073 -3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.328 -9.150 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.014 -10.703 -5.983 1.00 0.00 H new ATOM 705 N THR A 48 -6.626 -9.403 -4.107 1.00 0.00 N ATOM 706 CA THR A 48 -5.341 -8.891 -3.647 1.00 0.00 C ATOM 707 C THR A 48 -4.940 -7.639 -4.418 1.00 0.00 C ATOM 708 O THR A 48 -4.723 -6.571 -3.846 1.00 0.00 O ATOM 709 CB THR A 48 -4.230 -9.949 -3.795 1.00 0.00 C ATOM 710 OG1 THR A 48 -4.130 -10.725 -2.595 1.00 0.00 O ATOM 711 CG2 THR A 48 -2.892 -9.290 -4.091 1.00 0.00 C ATOM 0 H THR A 48 -6.623 -10.393 -4.351 1.00 0.00 H new ATOM 0 HA THR A 48 -5.459 -8.642 -2.592 1.00 0.00 H new ATOM 0 HB THR A 48 -4.488 -10.601 -4.629 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.423 -11.396 -2.697 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.123 -10.056 -4.191 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.963 -8.723 -5.019 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.629 -8.617 -3.275 1.00 0.00 H new ATOM 719 N PRO A 49 -4.838 -7.770 -5.749 1.00 0.00 N ATOM 720 CA PRO A 49 -4.464 -6.658 -6.628 1.00 0.00 C ATOM 721 C PRO A 49 -5.555 -5.597 -6.717 1.00 0.00 C ATOM 722 O PRO A 49 -5.392 -4.579 -7.389 1.00 0.00 O ATOM 723 CB PRO A 49 -4.262 -7.332 -7.987 1.00 0.00 C ATOM 724 CG PRO A 49 -5.107 -8.557 -7.932 1.00 0.00 C ATOM 725 CD PRO A 49 -5.082 -9.014 -6.499 1.00 0.00 C ATOM 0 HA PRO A 49 -3.583 -6.130 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.567 -6.677 -8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.214 -7.581 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.126 -8.343 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.718 -9.330 -8.595 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.024 -9.480 -6.209 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.296 -9.749 -6.325 1.00 0.00 H new ATOM 733 N GLY A 50 -6.670 -5.841 -6.034 1.00 0.00 N ATOM 734 CA GLY A 50 -7.772 -4.897 -6.049 1.00 0.00 C ATOM 735 C GLY A 50 -7.652 -3.849 -4.960 1.00 0.00 C ATOM 736 O GLY A 50 -8.066 -2.704 -5.143 1.00 0.00 O ATOM 0 H GLY A 50 -6.829 -6.676 -5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.811 -4.404 -7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.711 -5.437 -5.927 1.00 0.00 H new ATOM 740 N VAL A 51 -7.087 -4.241 -3.823 1.00 0.00 N ATOM 741 CA VAL A 51 -6.915 -3.327 -2.700 1.00 0.00 C ATOM 742 C VAL A 51 -5.726 -2.399 -2.924 1.00 0.00 C ATOM 743 O VAL A 51 -5.614 -1.352 -2.284 1.00 0.00 O ATOM 744 CB VAL A 51 -6.712 -4.093 -1.379 1.00 0.00 C ATOM 745 CG1 VAL A 51 -5.382 -4.831 -1.388 1.00 0.00 C ATOM 746 CG2 VAL A 51 -6.796 -3.142 -0.194 1.00 0.00 C ATOM 0 H VAL A 51 -6.740 -5.185 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.827 -2.734 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.508 -4.831 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.256 -5.366 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.366 -5.542 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.569 -4.115 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.650 -3.700 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.022 -2.380 -0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.776 -2.665 -0.179 1.00 0.00 H new ATOM 756 N ILE A 52 -4.842 -2.788 -3.836 1.00 0.00 N ATOM 757 CA ILE A 52 -3.662 -1.990 -4.145 1.00 0.00 C ATOM 758 C ILE A 52 -4.007 -0.842 -5.088 1.00 0.00 C ATOM 759 O ILE A 52 -3.421 0.238 -5.008 1.00 0.00 O ATOM 760 CB ILE A 52 -2.554 -2.848 -4.783 1.00 0.00 C ATOM 761 CG1 ILE A 52 -2.101 -3.939 -3.811 1.00 0.00 C ATOM 762 CG2 ILE A 52 -1.377 -1.974 -5.192 1.00 0.00 C ATOM 763 CD1 ILE A 52 -1.367 -5.079 -4.483 1.00 0.00 C ATOM 0 H ILE A 52 -4.920 -3.651 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.298 -1.585 -3.201 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.954 -3.327 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.453 -3.495 -3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.973 -4.335 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.602 -2.595 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.710 -1.230 -5.915 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.975 -1.471 -4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.075 -5.816 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.020 -5.548 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.476 -4.695 -4.981 1.00 0.00 H new ATOM 775 N ARG A 53 -4.963 -1.083 -5.979 1.00 0.00 N ATOM 776 CA ARG A 53 -5.387 -0.069 -6.937 1.00 0.00 C ATOM 777 C ARG A 53 -6.054 1.106 -6.227 1.00 0.00 C ATOM 778 O ARG A 53 -5.827 2.265 -6.576 1.00 0.00 O ATOM 779 CB ARG A 53 -6.352 -0.674 -7.959 1.00 0.00 C ATOM 780 CG ARG A 53 -7.053 0.362 -8.823 1.00 0.00 C ATOM 781 CD ARG A 53 -7.619 -0.260 -10.090 1.00 0.00 C ATOM 782 NE ARG A 53 -8.923 -0.877 -9.861 1.00 0.00 N ATOM 783 CZ ARG A 53 -9.757 -1.215 -10.838 1.00 0.00 C ATOM 784 NH1 ARG A 53 -9.424 -0.998 -12.103 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.926 -1.773 -10.551 1.00 0.00 N ATOM 0 H ARG A 53 -5.458 -1.971 -6.057 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.501 0.297 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -5.802 -1.360 -8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.103 -1.264 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.858 0.827 -8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.351 1.153 -9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.710 0.506 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.924 -1.010 -10.467 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.209 -1.058 -8.899 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.526 -0.571 -12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.066 -1.259 -12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.185 -1.943 -9.579 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.566 -2.032 -11.302 1.00 0.00 H new ATOM 799 N ARG A 54 -6.876 0.798 -5.229 1.00 0.00 N ATOM 800 CA ARG A 54 -7.576 1.828 -4.470 1.00 0.00 C ATOM 801 C ARG A 54 -6.614 2.575 -3.552 1.00 0.00 C ATOM 802 O ARG A 54 -6.505 3.800 -3.613 1.00 0.00 O ATOM 803 CB ARG A 54 -8.705 1.205 -3.647 1.00 0.00 C ATOM 804 CG ARG A 54 -9.776 0.535 -4.491 1.00 0.00 C ATOM 805 CD ARG A 54 -10.755 1.551 -5.058 1.00 0.00 C ATOM 806 NE ARG A 54 -11.362 1.090 -6.304 1.00 0.00 N ATOM 807 CZ ARG A 54 -12.457 1.627 -6.831 1.00 0.00 C ATOM 808 NH1 ARG A 54 -13.062 2.638 -6.223 1.00 0.00 N ATOM 809 NH2 ARG A 54 -12.949 1.152 -7.968 1.00 0.00 N ATOM 0 H ARG A 54 -7.074 -0.156 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.001 2.540 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.281 0.470 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.168 1.980 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.307 -0.014 -5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.316 -0.193 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.537 1.749 -4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.237 2.494 -5.234 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.921 0.313 -6.797 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.687 3.005 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.903 3.048 -6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.487 0.374 -8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.790 1.565 -8.372 1.00 0.00 H new ATOM 823 N VAL A 55 -5.917 1.830 -2.700 1.00 0.00 N ATOM 824 CA VAL A 55 -4.964 2.421 -1.769 1.00 0.00 C ATOM 825 C VAL A 55 -3.874 3.187 -2.510 1.00 0.00 C ATOM 826 O VAL A 55 -3.292 4.131 -1.977 1.00 0.00 O ATOM 827 CB VAL A 55 -4.308 1.348 -0.880 1.00 0.00 C ATOM 828 CG1 VAL A 55 -3.337 0.503 -1.691 1.00 0.00 C ATOM 829 CG2 VAL A 55 -3.605 1.994 0.304 1.00 0.00 C ATOM 0 H VAL A 55 -5.995 0.815 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.525 3.111 -1.139 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.089 0.692 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.883 -0.250 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.873 0.010 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.558 1.142 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.147 1.221 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.834 2.674 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.330 2.551 0.898 1.00 0.00 H new ATOM 839 N SER A 56 -3.603 2.773 -3.744 1.00 0.00 N ATOM 840 CA SER A 56 -2.581 3.419 -4.559 1.00 0.00 C ATOM 841 C SER A 56 -3.055 4.785 -5.044 1.00 0.00 C ATOM 842 O SER A 56 -2.393 5.798 -4.820 1.00 0.00 O ATOM 843 CB SER A 56 -2.221 2.536 -5.756 1.00 0.00 C ATOM 844 OG SER A 56 -1.524 3.276 -6.744 1.00 0.00 O ATOM 0 H SER A 56 -4.077 1.994 -4.201 1.00 0.00 H new ATOM 0 HA SER A 56 -1.694 3.561 -3.941 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.607 1.699 -5.423 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.129 2.114 -6.187 1.00 0.00 H new ATOM 0 HG SER A 56 -1.304 2.689 -7.498 1.00 0.00 H new ATOM 850 N GLN A 57 -4.204 4.804 -5.711 1.00 0.00 N ATOM 851 CA GLN A 57 -4.767 6.045 -6.228 1.00 0.00 C ATOM 852 C GLN A 57 -5.012 7.043 -5.102 1.00 0.00 C ATOM 853 O GLN A 57 -4.646 8.215 -5.206 1.00 0.00 O ATOM 854 CB GLN A 57 -6.074 5.766 -6.972 1.00 0.00 C ATOM 855 CG GLN A 57 -7.299 5.771 -6.071 1.00 0.00 C ATOM 856 CD GLN A 57 -8.594 5.635 -6.847 1.00 0.00 C ATOM 857 OE1 GLN A 57 -8.613 5.109 -7.960 1.00 0.00 O ATOM 858 NE2 GLN A 57 -9.688 6.109 -6.262 1.00 0.00 N ATOM 0 H GLN A 57 -4.763 3.974 -5.906 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.047 6.479 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.205 6.515 -7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.001 4.798 -7.467 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.222 4.953 -5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.319 6.697 -5.497 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.628 6.537 -5.338 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.589 6.045 -6.736 1.00 0.00 H new ATOM 867 N LEU A 58 -5.632 6.573 -4.026 1.00 0.00 N ATOM 868 CA LEU A 58 -5.927 7.424 -2.878 1.00 0.00 C ATOM 869 C LEU A 58 -4.701 8.239 -2.476 1.00 0.00 C ATOM 870 O LEU A 58 -4.810 9.419 -2.143 1.00 0.00 O ATOM 871 CB LEU A 58 -6.399 6.576 -1.696 1.00 0.00 C ATOM 872 CG LEU A 58 -6.690 7.334 -0.400 1.00 0.00 C ATOM 873 CD1 LEU A 58 -8.109 7.882 -0.410 1.00 0.00 C ATOM 874 CD2 LEU A 58 -6.474 6.431 0.805 1.00 0.00 C ATOM 0 H LEU A 58 -5.941 5.606 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.722 8.113 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.303 6.045 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.640 5.822 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.998 8.173 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.298 8.418 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.230 8.563 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.817 7.058 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.686 6.987 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.141 5.572 0.740 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.440 6.087 0.821 1.00 0.00 H new ATOM 886 N PHE A 59 -3.536 7.602 -2.513 1.00 0.00 N ATOM 887 CA PHE A 59 -2.289 8.268 -2.153 1.00 0.00 C ATOM 888 C PHE A 59 -1.491 8.638 -3.400 1.00 0.00 C ATOM 889 O PHE A 59 -0.260 8.647 -3.383 1.00 0.00 O ATOM 890 CB PHE A 59 -1.449 7.368 -1.245 1.00 0.00 C ATOM 891 CG PHE A 59 -2.180 6.907 -0.016 1.00 0.00 C ATOM 892 CD1 PHE A 59 -2.940 7.795 0.728 1.00 0.00 C ATOM 893 CD2 PHE A 59 -2.107 5.586 0.394 1.00 0.00 C ATOM 894 CE1 PHE A 59 -3.613 7.373 1.859 1.00 0.00 C ATOM 895 CE2 PHE A 59 -2.778 5.158 1.524 1.00 0.00 C ATOM 896 CZ PHE A 59 -3.533 6.053 2.257 1.00 0.00 C ATOM 0 H PHE A 59 -3.429 6.626 -2.788 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.537 9.184 -1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.122 6.496 -1.812 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.551 7.907 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.007 8.828 0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.519 4.882 -0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.201 8.075 2.431 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.712 4.125 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.060 5.721 3.140 1.00 0.00 H new ATOM 906 N HIS A 60 -2.202 8.942 -4.482 1.00 0.00 N ATOM 907 CA HIS A 60 -1.561 9.312 -5.739 1.00 0.00 C ATOM 908 C HIS A 60 -0.482 10.366 -5.508 1.00 0.00 C ATOM 909 O HIS A 60 0.585 10.318 -6.118 1.00 0.00 O ATOM 910 CB HIS A 60 -2.600 9.838 -6.730 1.00 0.00 C ATOM 911 CG HIS A 60 -3.322 11.059 -6.250 1.00 0.00 C ATOM 912 ND1 HIS A 60 -3.493 12.185 -7.026 1.00 0.00 N ATOM 913 CD2 HIS A 60 -3.920 11.325 -5.065 1.00 0.00 C ATOM 914 CE1 HIS A 60 -4.164 13.093 -6.339 1.00 0.00 C ATOM 915 NE2 HIS A 60 -4.435 12.596 -5.146 1.00 0.00 N ATOM 0 H HIS A 60 -3.222 8.939 -4.513 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.091 8.421 -6.155 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.106 10.066 -7.675 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.328 9.052 -6.932 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.981 10.662 -4.215 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.443 14.074 -6.693 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.944 13.078 -4.405 1.00 0.00 H new ATOM 924 N GLU A 61 -0.769 11.317 -4.624 1.00 0.00 N ATOM 925 CA GLU A 61 0.177 12.383 -4.315 1.00 0.00 C ATOM 926 C GLU A 61 1.345 11.851 -3.490 1.00 0.00 C ATOM 927 O GLU A 61 2.458 12.374 -3.560 1.00 0.00 O ATOM 928 CB GLU A 61 -0.524 13.513 -3.558 1.00 0.00 C ATOM 929 CG GLU A 61 -1.222 14.512 -4.466 1.00 0.00 C ATOM 930 CD GLU A 61 -1.413 15.865 -3.807 1.00 0.00 C ATOM 931 OE1 GLU A 61 -2.392 16.021 -3.048 1.00 0.00 O ATOM 932 OE2 GLU A 61 -0.584 16.766 -4.050 1.00 0.00 O ATOM 0 H GLU A 61 -1.648 11.371 -4.110 1.00 0.00 H new ATOM 0 HA GLU A 61 0.567 12.773 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.256 13.082 -2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.209 14.040 -2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.640 14.636 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.194 14.114 -4.759 1.00 0.00 H new ATOM 939 N HIS A 62 1.084 10.808 -2.708 1.00 0.00 N ATOM 940 CA HIS A 62 2.113 10.205 -1.869 1.00 0.00 C ATOM 941 C HIS A 62 2.564 8.865 -2.442 1.00 0.00 C ATOM 942 O HIS A 62 2.040 7.806 -2.094 1.00 0.00 O ATOM 943 CB HIS A 62 1.592 10.015 -0.444 1.00 0.00 C ATOM 944 CG HIS A 62 1.008 11.259 0.151 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.557 11.902 1.240 1.00 0.00 N ATOM 946 CD2 HIS A 62 -0.083 11.980 -0.199 1.00 0.00 C ATOM 947 CE1 HIS A 62 0.828 12.963 1.536 1.00 0.00 C ATOM 948 NE2 HIS A 62 -0.173 13.033 0.677 1.00 0.00 N ATOM 0 H HIS A 62 0.169 10.363 -2.638 1.00 0.00 H new ATOM 0 HA HIS A 62 2.970 10.878 -1.847 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.834 9.232 -0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.408 9.668 0.189 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.757 11.766 -1.015 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.018 13.655 2.343 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.896 13.753 0.666 1.00 0.00 H new ATOM 957 N PRO A 63 3.558 8.909 -3.341 1.00 0.00 N ATOM 958 CA PRO A 63 4.101 7.707 -3.981 1.00 0.00 C ATOM 959 C PRO A 63 4.889 6.838 -3.007 1.00 0.00 C ATOM 960 O PRO A 63 4.966 5.620 -3.169 1.00 0.00 O ATOM 961 CB PRO A 63 5.024 8.268 -5.065 1.00 0.00 C ATOM 962 CG PRO A 63 5.414 9.618 -4.568 1.00 0.00 C ATOM 963 CD PRO A 63 4.229 10.136 -3.803 1.00 0.00 C ATOM 0 HA PRO A 63 3.314 7.059 -4.366 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.897 7.632 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.513 8.332 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.295 9.559 -3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.664 10.281 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.534 10.766 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.575 10.738 -4.434 1.00 0.00 H new ATOM 971 N ASP A 64 5.473 7.471 -1.996 1.00 0.00 N ATOM 972 CA ASP A 64 6.255 6.755 -0.994 1.00 0.00 C ATOM 973 C ASP A 64 5.374 5.793 -0.203 1.00 0.00 C ATOM 974 O ASP A 64 5.764 4.656 0.067 1.00 0.00 O ATOM 975 CB ASP A 64 6.934 7.742 -0.044 1.00 0.00 C ATOM 976 CG ASP A 64 7.532 8.929 -0.774 1.00 0.00 C ATOM 977 OD1 ASP A 64 6.778 9.875 -1.084 1.00 0.00 O ATOM 978 OD2 ASP A 64 8.753 8.912 -1.036 1.00 0.00 O ATOM 0 H ASP A 64 5.420 8.479 -1.848 1.00 0.00 H new ATOM 0 HA ASP A 64 7.020 6.177 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.207 8.097 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.719 7.227 0.511 1.00 0.00 H new ATOM 983 N LEU A 65 4.185 6.256 0.166 1.00 0.00 N ATOM 984 CA LEU A 65 3.248 5.437 0.928 1.00 0.00 C ATOM 985 C LEU A 65 2.753 4.259 0.096 1.00 0.00 C ATOM 986 O LEU A 65 2.633 3.140 0.596 1.00 0.00 O ATOM 987 CB LEU A 65 2.060 6.283 1.391 1.00 0.00 C ATOM 988 CG LEU A 65 2.239 7.020 2.719 1.00 0.00 C ATOM 989 CD1 LEU A 65 1.147 8.064 2.901 1.00 0.00 C ATOM 990 CD2 LEU A 65 2.237 6.036 3.879 1.00 0.00 C ATOM 0 H LEU A 65 3.847 7.194 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 65 3.772 5.047 1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.839 7.018 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.188 5.635 1.473 1.00 0.00 H new ATOM 0 HG LEU A 65 3.202 7.530 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.290 8.578 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.195 8.787 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.172 7.576 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.365 6.578 4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.289 5.498 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.055 5.326 3.755 1.00 0.00 H new ATOM 1002 N ILE A 66 2.470 4.517 -1.177 1.00 0.00 N ATOM 1003 CA ILE A 66 1.992 3.477 -2.079 1.00 0.00 C ATOM 1004 C ILE A 66 2.967 2.306 -2.134 1.00 0.00 C ATOM 1005 O ILE A 66 2.598 1.163 -1.866 1.00 0.00 O ATOM 1006 CB ILE A 66 1.779 4.021 -3.504 1.00 0.00 C ATOM 1007 CG1 ILE A 66 0.770 5.171 -3.488 1.00 0.00 C ATOM 1008 CG2 ILE A 66 1.310 2.910 -4.431 1.00 0.00 C ATOM 1009 CD1 ILE A 66 0.716 5.945 -4.787 1.00 0.00 C ATOM 0 H ILE A 66 2.564 5.437 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 66 1.036 3.132 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 66 2.730 4.401 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.221 4.772 -3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.023 5.854 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.164 3.311 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.061 2.120 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.369 2.502 -4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.020 6.745 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.696 6.374 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.433 5.275 -5.599 1.00 0.00 H new ATOM 1021 N VAL A 67 4.216 2.600 -2.482 1.00 0.00 N ATOM 1022 CA VAL A 67 5.247 1.572 -2.570 1.00 0.00 C ATOM 1023 C VAL A 67 5.420 0.852 -1.237 1.00 0.00 C ATOM 1024 O VAL A 67 5.605 -0.363 -1.196 1.00 0.00 O ATOM 1025 CB VAL A 67 6.601 2.170 -2.997 1.00 0.00 C ATOM 1026 CG1 VAL A 67 7.682 1.101 -2.994 1.00 0.00 C ATOM 1027 CG2 VAL A 67 6.486 2.821 -4.368 1.00 0.00 C ATOM 0 H VAL A 67 4.538 3.541 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 67 4.919 0.858 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 67 6.883 2.938 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.631 1.542 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.780 0.685 -1.991 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.411 0.308 -3.691 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.451 3.238 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.182 2.074 -5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.743 3.617 -4.331 1.00 0.00 H new ATOM 1037 N GLY A 68 5.358 1.612 -0.148 1.00 0.00 N ATOM 1038 CA GLY A 68 5.509 1.029 1.172 1.00 0.00 C ATOM 1039 C GLY A 68 4.485 -0.053 1.449 1.00 0.00 C ATOM 1040 O GLY A 68 4.793 -1.063 2.084 1.00 0.00 O ATOM 0 H GLY A 68 5.206 2.621 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.511 0.610 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.418 1.812 1.924 1.00 0.00 H new ATOM 1044 N PHE A 69 3.262 0.157 0.974 1.00 0.00 N ATOM 1045 CA PHE A 69 2.187 -0.808 1.176 1.00 0.00 C ATOM 1046 C PHE A 69 2.556 -2.165 0.583 1.00 0.00 C ATOM 1047 O PHE A 69 2.307 -3.207 1.189 1.00 0.00 O ATOM 1048 CB PHE A 69 0.890 -0.298 0.545 1.00 0.00 C ATOM 1049 CG PHE A 69 -0.287 -1.200 0.783 1.00 0.00 C ATOM 1050 CD1 PHE A 69 -0.800 -1.370 2.059 1.00 0.00 C ATOM 1051 CD2 PHE A 69 -0.881 -1.878 -0.269 1.00 0.00 C ATOM 1052 CE1 PHE A 69 -1.883 -2.199 2.281 1.00 0.00 C ATOM 1053 CE2 PHE A 69 -1.965 -2.708 -0.053 1.00 0.00 C ATOM 1054 CZ PHE A 69 -2.466 -2.870 1.224 1.00 0.00 C ATOM 0 H PHE A 69 2.990 0.987 0.447 1.00 0.00 H new ATOM 0 HA PHE A 69 2.037 -0.929 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.666 0.691 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.038 -0.183 -0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.348 -0.848 2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.493 -1.757 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.273 -2.322 3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.420 -3.229 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 69 -3.311 -3.520 1.395 1.00 0.00 H new ATOM 1064 N ASN A 70 3.150 -2.143 -0.605 1.00 0.00 N ATOM 1065 CA ASN A 70 3.552 -3.371 -1.281 1.00 0.00 C ATOM 1066 C ASN A 70 4.531 -4.168 -0.425 1.00 0.00 C ATOM 1067 O ASN A 70 4.252 -5.303 -0.038 1.00 0.00 O ATOM 1068 CB ASN A 70 4.188 -3.047 -2.635 1.00 0.00 C ATOM 1069 CG ASN A 70 3.155 -2.714 -3.694 1.00 0.00 C ATOM 1070 OD1 ASN A 70 2.107 -3.355 -3.778 1.00 0.00 O ATOM 1071 ND2 ASN A 70 3.447 -1.707 -4.509 1.00 0.00 N ATOM 0 H ASN A 70 3.364 -1.289 -1.120 1.00 0.00 H new ATOM 0 HA ASN A 70 2.660 -3.977 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.871 -2.205 -2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.783 -3.898 -2.967 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.790 -1.437 -5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.328 -1.204 -4.403 1.00 0.00 H new ATOM 1078 N ALA A 71 5.679 -3.566 -0.131 1.00 0.00 N ATOM 1079 CA ALA A 71 6.698 -4.218 0.682 1.00 0.00 C ATOM 1080 C ALA A 71 6.123 -4.681 2.015 1.00 0.00 C ATOM 1081 O ALA A 71 6.421 -5.780 2.483 1.00 0.00 O ATOM 1082 CB ALA A 71 7.873 -3.278 0.909 1.00 0.00 C ATOM 0 H ALA A 71 5.926 -2.627 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 71 7.050 -5.098 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 71 8.627 -3.778 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.308 -3.001 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.527 -2.381 1.423 1.00 0.00 H new ATOM 1088 N PHE A 72 5.297 -3.836 2.624 1.00 0.00 N ATOM 1089 CA PHE A 72 4.681 -4.159 3.906 1.00 0.00 C ATOM 1090 C PHE A 72 3.937 -5.489 3.832 1.00 0.00 C ATOM 1091 O PHE A 72 4.344 -6.476 4.445 1.00 0.00 O ATOM 1092 CB PHE A 72 3.719 -3.046 4.328 1.00 0.00 C ATOM 1093 CG PHE A 72 2.578 -3.530 5.176 1.00 0.00 C ATOM 1094 CD1 PHE A 72 2.797 -4.427 6.209 1.00 0.00 C ATOM 1095 CD2 PHE A 72 1.286 -3.088 4.940 1.00 0.00 C ATOM 1096 CE1 PHE A 72 1.748 -4.875 6.990 1.00 0.00 C ATOM 1097 CE2 PHE A 72 0.233 -3.532 5.718 1.00 0.00 C ATOM 1098 CZ PHE A 72 0.465 -4.426 6.745 1.00 0.00 C ATOM 0 H PHE A 72 5.039 -2.923 2.250 1.00 0.00 H new ATOM 0 HA PHE A 72 5.473 -4.247 4.650 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.274 -2.286 4.879 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.319 -2.564 3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.798 -4.780 6.406 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.099 -2.388 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.932 -5.576 7.791 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.769 -3.180 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.355 -4.773 7.355 1.00 0.00 H new ATOM 1108 N LEU A 73 2.843 -5.507 3.078 1.00 0.00 N ATOM 1109 CA LEU A 73 2.041 -6.715 2.923 1.00 0.00 C ATOM 1110 C LEU A 73 2.918 -7.962 2.973 1.00 0.00 C ATOM 1111 O LEU A 73 3.507 -8.377 1.975 1.00 0.00 O ATOM 1112 CB LEU A 73 1.269 -6.673 1.603 1.00 0.00 C ATOM 1113 CG LEU A 73 0.133 -5.654 1.522 1.00 0.00 C ATOM 1114 CD1 LEU A 73 -0.408 -5.569 0.103 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -0.979 -6.015 2.497 1.00 0.00 C ATOM 0 H LEU A 73 2.491 -4.699 2.565 1.00 0.00 H new ATOM 0 HA LEU A 73 1.332 -6.759 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.975 -6.465 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.855 -7.664 1.415 1.00 0.00 H new ATOM 0 HG LEU A 73 0.528 -4.676 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.216 -4.839 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.390 -5.263 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.786 -6.545 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.779 -5.278 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.371 -7.002 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.584 -6.024 3.513 1.00 0.00 H new ATOM 1127 N PRO A 74 3.006 -8.576 4.163 1.00 0.00 N ATOM 1128 CA PRO A 74 3.807 -9.786 4.371 1.00 0.00 C ATOM 1129 C PRO A 74 3.208 -11.004 3.677 1.00 0.00 C ATOM 1130 O PRO A 74 1.988 -11.140 3.583 1.00 0.00 O ATOM 1131 CB PRO A 74 3.782 -9.971 5.891 1.00 0.00 C ATOM 1132 CG PRO A 74 2.531 -9.295 6.334 1.00 0.00 C ATOM 1133 CD PRO A 74 2.331 -8.137 5.395 1.00 0.00 C ATOM 0 HA PRO A 74 4.810 -9.687 3.956 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.778 -11.027 6.161 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.660 -9.525 6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.683 -9.979 6.296 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.617 -8.951 7.365 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.273 -7.936 5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.770 -7.220 5.789 1.00 0.00 H new ATOM 1141 N SER A 75 4.074 -11.889 3.191 1.00 0.00 N ATOM 1142 CA SER A 75 3.629 -13.094 2.502 1.00 0.00 C ATOM 1143 C SER A 75 3.685 -14.303 3.431 1.00 0.00 C ATOM 1144 O SER A 75 4.237 -14.232 4.529 1.00 0.00 O ATOM 1145 CB SER A 75 4.493 -13.348 1.265 1.00 0.00 C ATOM 1146 OG SER A 75 5.847 -13.563 1.624 1.00 0.00 O ATOM 0 H SER A 75 5.087 -11.793 3.262 1.00 0.00 H new ATOM 0 HA SER A 75 2.595 -12.944 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.114 -14.216 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.424 -12.496 0.588 1.00 0.00 H new ATOM 0 HG SER A 75 6.378 -13.725 0.816 1.00 0.00 H new ATOM 1152 N GLY A 76 3.109 -15.414 2.983 1.00 0.00 N ATOM 1153 CA GLY A 76 3.103 -16.623 3.785 1.00 0.00 C ATOM 1154 C GLY A 76 4.244 -17.557 3.434 1.00 0.00 C ATOM 1155 O GLY A 76 4.983 -17.336 2.475 1.00 0.00 O ATOM 0 H GLY A 76 2.646 -15.498 2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.168 -16.356 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.155 -17.143 3.645 1.00 0.00 H new ATOM 1159 N PRO A 77 4.400 -18.629 4.225 1.00 0.00 N ATOM 1160 CA PRO A 77 5.459 -19.622 4.013 1.00 0.00 C ATOM 1161 C PRO A 77 5.226 -20.458 2.759 1.00 0.00 C ATOM 1162 O PRO A 77 4.591 -21.511 2.813 1.00 0.00 O ATOM 1163 CB PRO A 77 5.377 -20.500 5.264 1.00 0.00 C ATOM 1164 CG PRO A 77 3.971 -20.359 5.735 1.00 0.00 C ATOM 1165 CD PRO A 77 3.556 -18.956 5.386 1.00 0.00 C ATOM 0 HA PRO A 77 6.433 -19.155 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.615 -21.539 5.035 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.084 -20.171 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.322 -21.089 5.252 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.900 -20.531 6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 77 2.496 -18.900 5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.728 -18.268 6.214 1.00 0.00 H new ATOM 1173 N SER A 78 5.746 -19.983 1.632 1.00 0.00 N ATOM 1174 CA SER A 78 5.592 -20.686 0.363 1.00 0.00 C ATOM 1175 C SER A 78 4.150 -21.146 0.169 1.00 0.00 C ATOM 1176 O SER A 78 3.899 -22.279 -0.241 1.00 0.00 O ATOM 1177 CB SER A 78 6.535 -21.889 0.305 1.00 0.00 C ATOM 1178 OG SER A 78 6.033 -22.968 1.073 1.00 0.00 O ATOM 0 H SER A 78 6.278 -19.115 1.571 1.00 0.00 H new ATOM 0 HA SER A 78 5.846 -19.995 -0.441 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.664 -22.204 -0.730 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.519 -21.602 0.675 1.00 0.00 H new ATOM 0 HG SER A 78 5.155 -23.235 0.728 1.00 0.00 H new ATOM 1184 N SER A 79 3.207 -20.258 0.466 1.00 0.00 N ATOM 1185 CA SER A 79 1.790 -20.573 0.328 1.00 0.00 C ATOM 1186 C SER A 79 1.375 -20.579 -1.141 1.00 0.00 C ATOM 1187 O SER A 79 1.556 -19.592 -1.853 1.00 0.00 O ATOM 1188 CB SER A 79 0.943 -19.562 1.104 1.00 0.00 C ATOM 1189 OG SER A 79 1.113 -19.721 2.502 1.00 0.00 O ATOM 0 H SER A 79 3.398 -19.315 0.804 1.00 0.00 H new ATOM 0 HA SER A 79 1.623 -21.569 0.739 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.223 -18.549 0.813 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.108 -19.689 0.845 1.00 0.00 H new ATOM 0 HG SER A 79 0.563 -19.063 2.975 1.00 0.00 H new ATOM 1195 N GLY A 80 0.817 -21.700 -1.587 1.00 0.00 N ATOM 1196 CA GLY A 80 0.385 -21.815 -2.968 1.00 0.00 C ATOM 1197 C GLY A 80 1.182 -22.848 -3.740 1.00 0.00 C ATOM 1198 O GLY A 80 0.672 -23.461 -4.678 1.00 0.00 O ATOM 0 H GLY A 80 0.656 -22.531 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.672 -22.082 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.481 -20.846 -3.458 1.00 0.00 H new TER 1202 GLY A 80