USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.0763 (180deg=0.0688) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0939 X(o=-0.094,f=-0.068) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 110:sc= -1.03 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0009) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.0167 (180deg=-0.159) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.0419 K(o=0.042,f=-4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -160:sc= 0.0252 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0136 (180deg=-0.182) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -177:sc= -2.96 (180deg=-3.02) USER MOD Single : A 51 GLN : amide:sc=-0.00992 X(o=-0.0099,f=-0.36) USER MOD Single : A 54 SER OG : rot -1:sc= -0.36 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00341 X(o=-0.0034,f=-0.33) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0976 USER MOD Single : A 68 MET CE :methyl -151:sc= -0.139 (180deg=-0.722) USER MOD Single : A 71 THR OG1 : rot 58:sc= 1.55 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0677 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.842 4.854 -14.913 1.00 0.00 N ATOM 2 CA MET A 1 2.779 3.864 -13.804 1.00 0.00 C ATOM 3 C MET A 1 3.868 4.126 -12.767 1.00 0.00 C ATOM 4 O MET A 1 5.052 3.920 -13.029 1.00 0.00 O ATOM 5 CB MET A 1 2.930 2.458 -14.391 1.00 0.00 C ATOM 6 CG MET A 1 4.295 2.194 -15.010 1.00 0.00 C ATOM 7 SD MET A 1 4.186 1.457 -16.652 1.00 0.00 S ATOM 8 CE MET A 1 5.077 2.668 -17.626 1.00 0.00 C ATOM 0 H1 MET A 1 2.158 4.592 -15.652 1.00 0.00 H new ATOM 0 H2 MET A 1 2.611 5.800 -14.547 1.00 0.00 H new ATOM 0 H3 MET A 1 3.801 4.863 -15.316 1.00 0.00 H new ATOM 0 HA MET A 1 1.818 3.955 -13.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.750 1.725 -13.605 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.162 2.307 -15.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.848 3.131 -15.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.863 1.532 -14.357 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.096 2.353 -18.669 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.580 3.635 -17.548 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.098 2.754 -17.254 1.00 0.00 H new ATOM 20 N ARG A 2 3.456 4.581 -11.589 1.00 0.00 N ATOM 21 CA ARG A 2 4.397 4.871 -10.511 1.00 0.00 C ATOM 22 C ARG A 2 4.234 3.876 -9.366 1.00 0.00 C ATOM 23 O ARG A 2 3.276 3.103 -9.334 1.00 0.00 O ATOM 24 CB ARG A 2 4.191 6.297 -9.994 1.00 0.00 C ATOM 25 CG ARG A 2 3.932 7.314 -11.095 1.00 0.00 C ATOM 26 CD ARG A 2 4.937 8.455 -11.056 1.00 0.00 C ATOM 27 NE ARG A 2 4.358 9.677 -10.503 1.00 0.00 N ATOM 28 CZ ARG A 2 4.875 10.890 -10.683 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.982 11.047 -11.398 1.00 0.00 N ATOM 30 NH2 ARG A 2 4.285 11.949 -10.147 1.00 0.00 N ATOM 0 H ARG A 2 2.479 4.757 -11.355 1.00 0.00 H new ATOM 0 HA ARG A 2 5.407 4.779 -10.910 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.351 6.305 -9.299 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.073 6.601 -9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.980 6.820 -12.065 1.00 0.00 H new ATOM 0 HG3 ARG A 2 2.923 7.714 -10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.798 8.159 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.302 8.651 -12.064 1.00 0.00 H new ATOM 0 HE ARG A 2 3.507 9.596 -9.946 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.441 10.236 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.374 11.979 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 2 3.434 11.835 -9.596 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.682 12.878 -10.285 1.00 0.00 H new ATOM 44 N ASN A 3 5.176 3.901 -8.429 1.00 0.00 N ATOM 45 CA ASN A 3 5.136 3.002 -7.282 1.00 0.00 C ATOM 46 C ASN A 3 4.687 3.743 -6.027 1.00 0.00 C ATOM 47 O ASN A 3 5.171 4.836 -5.733 1.00 0.00 O ATOM 48 CB ASN A 3 6.512 2.370 -7.055 1.00 0.00 C ATOM 49 CG ASN A 3 6.617 0.982 -7.656 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.183 -0.001 -7.056 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.196 0.896 -8.848 1.00 0.00 N ATOM 0 H ASN A 3 5.976 4.534 -8.442 1.00 0.00 H new ATOM 0 HA ASN A 3 4.414 2.213 -7.493 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.279 3.010 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.712 2.316 -5.985 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.295 -0.012 -9.302 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.541 1.738 -9.309 1.00 0.00 H new ATOM 58 N ILE A 4 3.759 3.140 -5.290 1.00 0.00 N ATOM 59 CA ILE A 4 3.244 3.744 -4.067 1.00 0.00 C ATOM 60 C ILE A 4 3.922 3.154 -2.836 1.00 0.00 C ATOM 61 O ILE A 4 3.718 1.988 -2.499 1.00 0.00 O ATOM 62 CB ILE A 4 1.722 3.547 -3.941 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.024 3.939 -5.245 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.177 4.362 -2.777 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.406 3.452 -5.336 1.00 0.00 C ATOM 0 H ILE A 4 3.349 2.234 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 4 3.462 4.810 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 4 1.522 2.493 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.036 5.025 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.590 3.537 -6.085 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.100 4.212 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.655 4.039 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.386 5.419 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.838 3.766 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.425 2.364 -5.271 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.987 3.874 -4.516 1.00 0.00 H new ATOM 77 N TYR A 5 4.730 3.970 -2.164 1.00 0.00 N ATOM 78 CA TYR A 5 5.437 3.531 -0.968 1.00 0.00 C ATOM 79 C TYR A 5 4.608 3.804 0.283 1.00 0.00 C ATOM 80 O TYR A 5 4.276 4.951 0.582 1.00 0.00 O ATOM 81 CB TYR A 5 6.790 4.236 -0.860 1.00 0.00 C ATOM 82 CG TYR A 5 7.592 3.830 0.357 1.00 0.00 C ATOM 83 CD1 TYR A 5 8.255 2.610 0.400 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.686 4.667 1.461 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.987 2.236 1.510 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.417 4.300 2.575 1.00 0.00 C ATOM 87 CZ TYR A 5 9.066 3.083 2.595 1.00 0.00 C ATOM 88 OH TYR A 5 9.794 2.714 3.701 1.00 0.00 O ATOM 0 H TYR A 5 4.910 4.938 -2.429 1.00 0.00 H new ATOM 0 HA TYR A 5 5.601 2.456 -1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.373 4.023 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.627 5.313 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.197 1.943 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.179 5.621 1.449 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.496 1.283 1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.480 4.963 3.425 1.00 0.00 H new ATOM 0 HH TYR A 5 9.748 3.424 4.375 1.00 0.00 H new ATOM 98 N VAL A 6 4.276 2.742 1.010 1.00 0.00 N ATOM 99 CA VAL A 6 3.485 2.868 2.228 1.00 0.00 C ATOM 100 C VAL A 6 4.116 2.083 3.375 1.00 0.00 C ATOM 101 O VAL A 6 4.601 0.969 3.184 1.00 0.00 O ATOM 102 CB VAL A 6 2.039 2.375 2.012 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.026 0.909 1.597 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.202 2.595 3.266 1.00 0.00 C ATOM 0 H VAL A 6 4.542 1.785 0.777 1.00 0.00 H new ATOM 0 HA VAL A 6 3.463 3.927 2.486 1.00 0.00 H new ATOM 0 HB VAL A 6 1.596 2.958 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.997 0.582 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.581 0.789 0.667 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.491 0.306 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.186 2.241 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.641 2.044 4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.179 3.658 3.506 1.00 0.00 H new ATOM 114 N GLY A 7 4.105 2.675 4.565 1.00 0.00 N ATOM 115 CA GLY A 7 4.679 2.019 5.725 1.00 0.00 C ATOM 116 C GLY A 7 3.637 1.683 6.773 1.00 0.00 C ATOM 117 O GLY A 7 2.440 1.681 6.490 1.00 0.00 O ATOM 0 H GLY A 7 3.709 3.597 4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.182 1.105 5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.438 2.665 6.166 1.00 0.00 H new ATOM 121 N ASN A 8 4.094 1.397 7.990 1.00 0.00 N ATOM 122 CA ASN A 8 3.191 1.058 9.086 1.00 0.00 C ATOM 123 C ASN A 8 2.294 -0.118 8.711 1.00 0.00 C ATOM 124 O ASN A 8 1.125 -0.165 9.092 1.00 0.00 O ATOM 125 CB ASN A 8 2.336 2.269 9.461 1.00 0.00 C ATOM 126 CG ASN A 8 1.789 2.177 10.873 1.00 0.00 C ATOM 127 OD1 ASN A 8 0.580 2.067 11.077 1.00 0.00 O ATOM 128 ND2 ASN A 8 2.681 2.221 11.856 1.00 0.00 N ATOM 0 H ASN A 8 5.083 1.393 8.241 1.00 0.00 H new ATOM 0 HA ASN A 8 3.796 0.768 9.945 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.933 3.176 9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.507 2.357 8.758 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.373 2.163 12.827 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.674 2.313 11.640 1.00 0.00 H new ATOM 135 N LEU A 9 2.849 -1.064 7.960 1.00 0.00 N ATOM 136 CA LEU A 9 2.097 -2.237 7.532 1.00 0.00 C ATOM 137 C LEU A 9 2.431 -3.448 8.397 1.00 0.00 C ATOM 138 O LEU A 9 3.531 -3.995 8.321 1.00 0.00 O ATOM 139 CB LEU A 9 2.393 -2.551 6.065 1.00 0.00 C ATOM 140 CG LEU A 9 1.884 -1.512 5.063 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.312 -1.879 3.651 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.370 -1.389 5.149 1.00 0.00 C ATOM 0 H LEU A 9 3.816 -1.041 7.636 1.00 0.00 H new ATOM 0 HA LEU A 9 1.036 -2.015 7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.471 -2.654 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.951 -3.517 5.820 1.00 0.00 H new ATOM 0 HG LEU A 9 2.323 -0.546 5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.941 -1.129 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.400 -1.917 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.902 -2.854 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.024 -0.646 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.087 -2.353 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.087 -1.080 6.155 1.00 0.00 H new ATOM 154 N VAL A 10 1.472 -3.864 9.219 1.00 0.00 N ATOM 155 CA VAL A 10 1.662 -5.012 10.096 1.00 0.00 C ATOM 156 C VAL A 10 1.509 -6.319 9.315 1.00 0.00 C ATOM 157 O VAL A 10 1.350 -6.303 8.094 1.00 0.00 O ATOM 158 CB VAL A 10 0.668 -4.973 11.283 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.659 -5.632 10.925 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.279 -5.621 12.519 1.00 0.00 C ATOM 0 H VAL A 10 0.556 -3.422 9.295 1.00 0.00 H new ATOM 0 HA VAL A 10 2.674 -4.964 10.497 1.00 0.00 H new ATOM 0 HB VAL A 10 0.464 -3.926 11.508 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.331 -5.586 11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.110 -5.108 10.082 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.487 -6.674 10.655 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.564 -5.583 13.341 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.526 -6.660 12.301 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.185 -5.084 12.801 1.00 0.00 H new ATOM 170 N TYR A 11 1.558 -7.448 10.020 1.00 0.00 N ATOM 171 CA TYR A 11 1.426 -8.759 9.382 1.00 0.00 C ATOM 172 C TYR A 11 0.251 -8.780 8.407 1.00 0.00 C ATOM 173 O TYR A 11 0.388 -9.209 7.261 1.00 0.00 O ATOM 174 CB TYR A 11 1.241 -9.849 10.440 1.00 0.00 C ATOM 175 CG TYR A 11 2.199 -9.737 11.605 1.00 0.00 C ATOM 176 CD1 TYR A 11 3.545 -10.046 11.454 1.00 0.00 C ATOM 177 CD2 TYR A 11 1.756 -9.323 12.856 1.00 0.00 C ATOM 178 CE1 TYR A 11 4.423 -9.944 12.517 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.628 -9.220 13.922 1.00 0.00 C ATOM 180 CZ TYR A 11 3.960 -9.531 13.748 1.00 0.00 C ATOM 181 OH TYR A 11 4.831 -9.430 14.809 1.00 0.00 O ATOM 0 H TYR A 11 1.688 -7.483 11.031 1.00 0.00 H new ATOM 0 HA TYR A 11 2.341 -8.953 8.823 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.219 -9.807 10.817 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.368 -10.824 9.970 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.911 -10.371 10.491 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.714 -9.078 12.996 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.467 -10.187 12.384 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.268 -8.897 14.888 1.00 0.00 H new ATOM 0 HH TYR A 11 4.345 -9.125 15.603 1.00 0.00 H new ATOM 191 N SER A 12 -0.902 -8.308 8.870 1.00 0.00 N ATOM 192 CA SER A 12 -2.102 -8.265 8.043 1.00 0.00 C ATOM 193 C SER A 12 -2.904 -6.998 8.324 1.00 0.00 C ATOM 194 O SER A 12 -4.046 -7.059 8.777 1.00 0.00 O ATOM 195 CB SER A 12 -2.967 -9.502 8.296 1.00 0.00 C ATOM 196 OG SER A 12 -2.664 -10.534 7.372 1.00 0.00 O ATOM 0 H SER A 12 -1.030 -7.949 9.816 1.00 0.00 H new ATOM 0 HA SER A 12 -1.796 -8.257 6.997 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.806 -9.861 9.313 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.021 -9.235 8.216 1.00 0.00 H new ATOM 0 HG SER A 12 -3.229 -11.314 7.556 1.00 0.00 H new ATOM 202 N ALA A 13 -2.291 -5.849 8.057 1.00 0.00 N ATOM 203 CA ALA A 13 -2.939 -4.563 8.284 1.00 0.00 C ATOM 204 C ALA A 13 -4.236 -4.446 7.493 1.00 0.00 C ATOM 205 O ALA A 13 -5.326 -4.467 8.065 1.00 0.00 O ATOM 206 CB ALA A 13 -1.994 -3.427 7.921 1.00 0.00 C ATOM 0 H ALA A 13 -1.345 -5.783 7.682 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.188 -4.495 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.490 -2.472 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.097 -3.488 8.538 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.717 -3.506 6.870 1.00 0.00 H new ATOM 212 N THR A 14 -4.114 -4.320 6.174 1.00 0.00 N ATOM 213 CA THR A 14 -5.280 -4.195 5.304 1.00 0.00 C ATOM 214 C THR A 14 -4.868 -3.947 3.855 1.00 0.00 C ATOM 215 O THR A 14 -5.589 -4.311 2.927 1.00 0.00 O ATOM 216 CB THR A 14 -6.189 -3.059 5.785 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.482 -2.175 6.637 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.408 -3.545 6.538 1.00 0.00 C ATOM 0 H THR A 14 -3.219 -4.302 5.684 1.00 0.00 H new ATOM 0 HA THR A 14 -5.827 -5.137 5.349 1.00 0.00 H new ATOM 0 HB THR A 14 -6.520 -2.553 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.346 -1.319 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.008 -2.690 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.003 -4.189 5.890 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.093 -4.107 7.417 1.00 0.00 H new ATOM 226 N SER A 15 -3.709 -3.321 3.664 1.00 0.00 N ATOM 227 CA SER A 15 -3.212 -3.021 2.323 1.00 0.00 C ATOM 228 C SER A 15 -3.290 -4.245 1.415 1.00 0.00 C ATOM 229 O SER A 15 -3.903 -4.200 0.349 1.00 0.00 O ATOM 230 CB SER A 15 -1.772 -2.510 2.390 1.00 0.00 C ATOM 231 OG SER A 15 -1.206 -2.410 1.095 1.00 0.00 O ATOM 0 H SER A 15 -3.097 -3.012 4.419 1.00 0.00 H new ATOM 0 HA SER A 15 -3.848 -2.243 1.900 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.751 -1.534 2.876 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.172 -3.184 3.002 1.00 0.00 H new ATOM 0 HG SER A 15 -0.286 -2.080 1.165 1.00 0.00 H new ATOM 237 N GLU A 16 -2.670 -5.337 1.846 1.00 0.00 N ATOM 238 CA GLU A 16 -2.680 -6.572 1.069 1.00 0.00 C ATOM 239 C GLU A 16 -4.096 -7.135 0.958 1.00 0.00 C ATOM 240 O GLU A 16 -4.361 -8.010 0.133 1.00 0.00 O ATOM 241 CB GLU A 16 -1.755 -7.609 1.710 1.00 0.00 C ATOM 242 CG GLU A 16 -2.025 -7.833 3.188 1.00 0.00 C ATOM 243 CD GLU A 16 -2.058 -9.303 3.560 1.00 0.00 C ATOM 244 OE1 GLU A 16 -3.088 -9.959 3.300 1.00 0.00 O ATOM 245 OE2 GLU A 16 -1.052 -9.798 4.110 1.00 0.00 O ATOM 0 H GLU A 16 -2.156 -5.393 2.725 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.320 -6.344 0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.863 -8.556 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.721 -7.289 1.582 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.255 -7.331 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.977 -7.374 3.453 1.00 0.00 H new ATOM 252 N GLN A 17 -5.001 -6.631 1.793 1.00 0.00 N ATOM 253 CA GLN A 17 -6.386 -7.086 1.787 1.00 0.00 C ATOM 254 C GLN A 17 -7.235 -6.246 0.835 1.00 0.00 C ATOM 255 O GLN A 17 -8.084 -6.773 0.116 1.00 0.00 O ATOM 256 CB GLN A 17 -6.966 -7.025 3.203 1.00 0.00 C ATOM 257 CG GLN A 17 -8.427 -7.440 3.285 1.00 0.00 C ATOM 258 CD GLN A 17 -9.266 -6.468 4.091 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.275 -6.509 5.322 1.00 0.00 O ATOM 260 NE2 GLN A 17 -9.976 -5.585 3.400 1.00 0.00 N ATOM 0 H GLN A 17 -4.799 -5.907 2.482 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.404 -8.118 1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.377 -7.670 3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.864 -6.009 3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.836 -7.518 2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.495 -8.431 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.939 -5.586 2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.559 -4.905 3.888 1.00 0.00 H new ATOM 269 N VAL A 18 -7.004 -4.938 0.843 1.00 0.00 N ATOM 270 CA VAL A 18 -7.750 -4.021 -0.012 1.00 0.00 C ATOM 271 C VAL A 18 -7.268 -4.079 -1.462 1.00 0.00 C ATOM 272 O VAL A 18 -7.937 -3.576 -2.364 1.00 0.00 O ATOM 273 CB VAL A 18 -7.640 -2.570 0.498 1.00 0.00 C ATOM 274 CG1 VAL A 18 -6.194 -2.102 0.475 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.523 -1.643 -0.325 1.00 0.00 C ATOM 0 H VAL A 18 -6.305 -4.488 1.433 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.792 -4.340 0.025 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.989 -2.542 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.138 -1.076 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.593 -2.747 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.813 -2.147 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.431 -0.624 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.210 -1.674 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.561 -1.966 -0.248 1.00 0.00 H new ATOM 285 N LYS A 19 -6.105 -4.689 -1.683 1.00 0.00 N ATOM 286 CA LYS A 19 -5.546 -4.800 -3.026 1.00 0.00 C ATOM 287 C LYS A 19 -6.567 -5.381 -4.003 1.00 0.00 C ATOM 288 O LYS A 19 -6.673 -4.932 -5.144 1.00 0.00 O ATOM 289 CB LYS A 19 -4.284 -5.667 -3.010 1.00 0.00 C ATOM 290 CG LYS A 19 -4.553 -7.136 -2.725 1.00 0.00 C ATOM 291 CD LYS A 19 -3.259 -7.923 -2.592 1.00 0.00 C ATOM 292 CE LYS A 19 -3.450 -9.380 -2.980 1.00 0.00 C ATOM 293 NZ LYS A 19 -3.628 -9.545 -4.449 1.00 0.00 N ATOM 0 H LYS A 19 -5.534 -5.112 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.284 -3.797 -3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.782 -5.579 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.598 -5.280 -2.257 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.133 -7.229 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.157 -7.559 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.493 -7.475 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.900 -7.863 -1.565 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.587 -9.959 -2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.320 -9.783 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.435 -10.532 -4.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.605 -9.301 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.969 -8.917 -4.951 1.00 0.00 H new ATOM 307 N GLU A 20 -7.315 -6.379 -3.546 1.00 0.00 N ATOM 308 CA GLU A 20 -8.328 -7.016 -4.379 1.00 0.00 C ATOM 309 C GLU A 20 -9.391 -6.009 -4.805 1.00 0.00 C ATOM 310 O GLU A 20 -9.942 -6.099 -5.903 1.00 0.00 O ATOM 311 CB GLU A 20 -8.981 -8.179 -3.628 1.00 0.00 C ATOM 312 CG GLU A 20 -8.077 -9.392 -3.483 1.00 0.00 C ATOM 313 CD GLU A 20 -8.595 -10.602 -4.235 1.00 0.00 C ATOM 314 OE1 GLU A 20 -8.535 -10.596 -5.482 1.00 0.00 O ATOM 315 OE2 GLU A 20 -9.063 -11.555 -3.578 1.00 0.00 O ATOM 0 H GLU A 20 -7.239 -6.764 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.838 -7.402 -5.273 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.280 -7.838 -2.637 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.890 -8.474 -4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.080 -9.143 -3.847 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.977 -9.641 -2.427 1.00 0.00 H new ATOM 322 N LEU A 21 -9.672 -5.048 -3.931 1.00 0.00 N ATOM 323 CA LEU A 21 -10.667 -4.020 -4.216 1.00 0.00 C ATOM 324 C LEU A 21 -10.030 -2.830 -4.929 1.00 0.00 C ATOM 325 O LEU A 21 -10.688 -2.132 -5.700 1.00 0.00 O ATOM 326 CB LEU A 21 -11.337 -3.554 -2.921 1.00 0.00 C ATOM 327 CG LEU A 21 -12.643 -2.782 -3.110 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.579 -3.022 -1.935 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.365 -1.296 -3.276 1.00 0.00 C ATOM 0 H LEU A 21 -9.224 -4.960 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.422 -4.453 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.535 -4.426 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.636 -2.924 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.129 -3.144 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.503 -2.465 -2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.805 -4.086 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.101 -2.688 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.306 -0.762 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.857 -0.919 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.732 -1.140 -4.150 1.00 0.00 H new ATOM 341 N PHE A 22 -8.746 -2.605 -4.666 1.00 0.00 N ATOM 342 CA PHE A 22 -8.020 -1.500 -5.282 1.00 0.00 C ATOM 343 C PHE A 22 -8.069 -1.594 -6.805 1.00 0.00 C ATOM 344 O PHE A 22 -7.964 -0.585 -7.502 1.00 0.00 O ATOM 345 CB PHE A 22 -6.567 -1.487 -4.801 1.00 0.00 C ATOM 346 CG PHE A 22 -6.175 -0.210 -4.114 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.107 0.981 -4.821 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.874 -0.199 -2.761 1.00 0.00 C ATOM 349 CE1 PHE A 22 -5.748 2.157 -4.191 1.00 0.00 C ATOM 350 CE2 PHE A 22 -5.514 0.974 -2.126 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.450 2.154 -2.842 1.00 0.00 C ATOM 0 H PHE A 22 -8.187 -3.174 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.502 -0.569 -4.982 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.412 -2.321 -4.117 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.909 -1.648 -5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.337 0.989 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.921 -1.118 -2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.700 3.078 -4.753 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.283 0.969 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.168 3.072 -2.348 1.00 0.00 H new ATOM 361 N SER A 23 -8.227 -2.811 -7.316 1.00 0.00 N ATOM 362 CA SER A 23 -8.290 -3.033 -8.756 1.00 0.00 C ATOM 363 C SER A 23 -9.621 -2.548 -9.323 1.00 0.00 C ATOM 364 O SER A 23 -9.686 -2.051 -10.446 1.00 0.00 O ATOM 365 CB SER A 23 -8.097 -4.517 -9.075 1.00 0.00 C ATOM 366 OG SER A 23 -8.017 -4.733 -10.472 1.00 0.00 O ATOM 0 H SER A 23 -8.314 -3.658 -6.754 1.00 0.00 H new ATOM 0 HA SER A 23 -7.487 -2.462 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.188 -4.880 -8.595 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.926 -5.092 -8.662 1.00 0.00 H new ATOM 0 HG SER A 23 -7.892 -5.689 -10.649 1.00 0.00 H new ATOM 372 N GLN A 24 -10.681 -2.695 -8.536 1.00 0.00 N ATOM 373 CA GLN A 24 -12.011 -2.271 -8.958 1.00 0.00 C ATOM 374 C GLN A 24 -12.283 -0.821 -8.558 1.00 0.00 C ATOM 375 O GLN A 24 -13.323 -0.260 -8.906 1.00 0.00 O ATOM 376 CB GLN A 24 -13.076 -3.186 -8.351 1.00 0.00 C ATOM 377 CG GLN A 24 -13.120 -4.568 -8.980 1.00 0.00 C ATOM 378 CD GLN A 24 -14.230 -4.709 -10.003 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.271 -4.058 -9.900 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.014 -5.561 -10.998 1.00 0.00 N ATOM 0 H GLN A 24 -10.645 -3.104 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.054 -2.339 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.889 -3.288 -7.282 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.053 -2.715 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.163 -4.776 -9.458 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.255 -5.315 -8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.137 -6.080 -11.044 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.725 -5.697 -11.716 1.00 0.00 H new ATOM 389 N PHE A 25 -11.351 -0.218 -7.823 1.00 0.00 N ATOM 390 CA PHE A 25 -11.506 1.162 -7.379 1.00 0.00 C ATOM 391 C PHE A 25 -10.459 2.069 -8.018 1.00 0.00 C ATOM 392 O PHE A 25 -10.725 3.238 -8.296 1.00 0.00 O ATOM 393 CB PHE A 25 -11.400 1.241 -5.854 1.00 0.00 C ATOM 394 CG PHE A 25 -12.183 2.374 -5.256 1.00 0.00 C ATOM 395 CD1 PHE A 25 -11.836 3.690 -5.522 1.00 0.00 C ATOM 396 CD2 PHE A 25 -13.263 2.124 -4.425 1.00 0.00 C ATOM 397 CE1 PHE A 25 -12.555 4.734 -4.972 1.00 0.00 C ATOM 398 CE2 PHE A 25 -13.985 3.165 -3.872 1.00 0.00 C ATOM 399 CZ PHE A 25 -13.629 4.472 -4.145 1.00 0.00 C ATOM 0 H PHE A 25 -10.483 -0.663 -7.524 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.492 1.506 -7.691 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.749 0.302 -5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.352 1.348 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.995 3.901 -6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.544 1.104 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.277 5.755 -5.189 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.826 2.957 -3.227 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.190 5.287 -3.712 1.00 0.00 H new ATOM 409 N GLY A 26 -9.264 1.528 -8.243 1.00 0.00 N ATOM 410 CA GLY A 26 -8.199 2.314 -8.842 1.00 0.00 C ATOM 411 C GLY A 26 -7.565 1.645 -10.050 1.00 0.00 C ATOM 412 O GLY A 26 -6.680 2.217 -10.684 1.00 0.00 O ATOM 0 H GLY A 26 -9.015 0.564 -8.022 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.596 3.284 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.429 2.501 -8.093 1.00 0.00 H new ATOM 416 N LYS A 27 -8.013 0.434 -10.372 1.00 0.00 N ATOM 417 CA LYS A 27 -7.471 -0.296 -11.514 1.00 0.00 C ATOM 418 C LYS A 27 -5.973 -0.528 -11.350 1.00 0.00 C ATOM 419 O LYS A 27 -5.205 -0.406 -12.305 1.00 0.00 O ATOM 420 CB LYS A 27 -7.744 0.467 -12.812 1.00 0.00 C ATOM 421 CG LYS A 27 -7.822 -0.429 -14.039 1.00 0.00 C ATOM 422 CD LYS A 27 -6.685 -0.148 -15.009 1.00 0.00 C ATOM 423 CE LYS A 27 -7.144 -0.263 -16.453 1.00 0.00 C ATOM 424 NZ LYS A 27 -6.089 0.174 -17.409 1.00 0.00 N ATOM 0 H LYS A 27 -8.745 -0.060 -9.862 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.967 -1.266 -11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.681 1.014 -12.712 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.957 1.206 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.788 -1.474 -13.730 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.777 -0.276 -14.542 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.291 0.852 -14.830 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.870 -0.848 -14.828 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.420 -1.296 -16.665 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.039 0.342 -16.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.442 0.080 -18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.843 1.168 -17.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.244 -0.420 -17.289 1.00 0.00 H new ATOM 438 N VAL A 28 -5.563 -0.862 -10.130 1.00 0.00 N ATOM 439 CA VAL A 28 -4.157 -1.111 -9.836 1.00 0.00 C ATOM 440 C VAL A 28 -3.596 -2.221 -10.721 1.00 0.00 C ATOM 441 O VAL A 28 -4.261 -3.226 -10.969 1.00 0.00 O ATOM 442 CB VAL A 28 -3.955 -1.490 -8.355 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.679 -2.789 -8.030 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.473 -1.597 -8.024 1.00 0.00 C ATOM 0 H VAL A 28 -6.186 -0.966 -9.329 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.619 -0.186 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.383 -0.700 -7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.524 -3.039 -6.980 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.745 -2.669 -8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.287 -3.591 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.353 -1.865 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.015 -2.364 -8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.988 -0.639 -8.211 1.00 0.00 H new ATOM 454 N PHE A 29 -2.367 -2.032 -11.193 1.00 0.00 N ATOM 455 CA PHE A 29 -1.718 -3.017 -12.050 1.00 0.00 C ATOM 456 C PHE A 29 -1.235 -4.214 -11.236 1.00 0.00 C ATOM 457 O PHE A 29 -1.331 -5.357 -11.682 1.00 0.00 O ATOM 458 CB PHE A 29 -0.540 -2.381 -12.791 1.00 0.00 C ATOM 459 CG PHE A 29 -0.920 -1.168 -13.592 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.591 -1.300 -14.797 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.603 0.103 -13.141 1.00 0.00 C ATOM 462 CE1 PHE A 29 -1.942 -0.186 -15.536 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.951 1.220 -13.876 1.00 0.00 C ATOM 464 CZ PHE A 29 -1.621 1.076 -15.074 1.00 0.00 C ATOM 0 H PHE A 29 -1.802 -1.206 -10.996 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.450 -3.367 -12.777 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.227 -2.103 -12.068 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.097 -3.122 -13.457 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.843 -2.284 -15.163 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.078 0.222 -12.205 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.466 -0.302 -16.473 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.699 2.205 -13.513 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.894 1.948 -15.649 1.00 0.00 H new ATOM 474 N ASN A 30 -0.717 -3.943 -10.043 1.00 0.00 N ATOM 475 CA ASN A 30 -0.219 -5.000 -9.169 1.00 0.00 C ATOM 476 C ASN A 30 0.064 -4.464 -7.769 1.00 0.00 C ATOM 477 O ASN A 30 0.321 -3.274 -7.588 1.00 0.00 O ATOM 478 CB ASN A 30 1.050 -5.620 -9.757 1.00 0.00 C ATOM 479 CG ASN A 30 1.096 -7.125 -9.576 1.00 0.00 C ATOM 480 OD1 ASN A 30 0.833 -7.639 -8.489 1.00 0.00 O ATOM 481 ND2 ASN A 30 1.434 -7.838 -10.644 1.00 0.00 N ATOM 0 H ASN A 30 -0.631 -3.002 -9.659 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.990 -5.767 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.108 -5.383 -10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 30 1.923 -5.173 -9.282 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.484 -8.855 -10.583 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.644 -7.369 -11.525 1.00 0.00 H new ATOM 488 N VAL A 31 0.016 -5.353 -6.781 1.00 0.00 N ATOM 489 CA VAL A 31 0.269 -4.973 -5.397 1.00 0.00 C ATOM 490 C VAL A 31 1.118 -6.023 -4.689 1.00 0.00 C ATOM 491 O VAL A 31 0.716 -7.179 -4.563 1.00 0.00 O ATOM 492 CB VAL A 31 -1.046 -4.785 -4.616 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.773 -4.203 -3.238 1.00 0.00 C ATOM 494 CG2 VAL A 31 -2.007 -3.899 -5.395 1.00 0.00 C ATOM 0 H VAL A 31 -0.196 -6.342 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 31 0.807 -4.026 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.511 -5.762 -4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.714 -4.078 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.125 -4.879 -2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.284 -3.235 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.930 -3.777 -4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.550 -2.923 -5.559 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.230 -4.361 -6.357 1.00 0.00 H new ATOM 504 N LYS A 32 2.298 -5.614 -4.230 1.00 0.00 N ATOM 505 CA LYS A 32 3.203 -6.525 -3.539 1.00 0.00 C ATOM 506 C LYS A 32 4.013 -5.792 -2.474 1.00 0.00 C ATOM 507 O LYS A 32 4.582 -4.731 -2.730 1.00 0.00 O ATOM 508 CB LYS A 32 4.147 -7.193 -4.540 1.00 0.00 C ATOM 509 CG LYS A 32 3.544 -8.407 -5.229 1.00 0.00 C ATOM 510 CD LYS A 32 3.664 -9.653 -4.367 1.00 0.00 C ATOM 511 CE LYS A 32 2.339 -10.005 -3.709 1.00 0.00 C ATOM 512 NZ LYS A 32 1.501 -10.876 -4.580 1.00 0.00 N ATOM 0 H LYS A 32 2.648 -4.661 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 32 2.600 -7.289 -3.047 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.437 -6.463 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.058 -7.494 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.494 -8.217 -5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.046 -8.573 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.001 -10.489 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.422 -9.494 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.527 -10.511 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.794 -9.090 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.607 -11.093 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.300 -10.383 -5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.011 -11.760 -4.780 1.00 0.00 H new ATOM 526 N LEU A 33 4.064 -6.371 -1.277 1.00 0.00 N ATOM 527 CA LEU A 33 4.810 -5.779 -0.170 1.00 0.00 C ATOM 528 C LEU A 33 6.085 -6.570 0.100 1.00 0.00 C ATOM 529 O LEU A 33 6.319 -7.614 -0.510 1.00 0.00 O ATOM 530 CB LEU A 33 3.948 -5.724 1.097 1.00 0.00 C ATOM 531 CG LEU A 33 2.834 -6.772 1.183 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.349 -6.918 2.616 1.00 0.00 C ATOM 533 CD2 LEU A 33 1.679 -6.397 0.263 1.00 0.00 C ATOM 0 H LEU A 33 3.598 -7.249 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 33 5.081 -4.761 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.599 -5.839 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.498 -4.734 1.166 1.00 0.00 H new ATOM 0 HG LEU A 33 3.237 -7.731 0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.558 -7.667 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.178 -7.231 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.963 -5.962 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.896 -7.152 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.278 -5.428 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.036 -6.343 -0.765 1.00 0.00 H new ATOM 545 N ILE A 34 6.910 -6.067 1.012 1.00 0.00 N ATOM 546 CA ILE A 34 8.162 -6.734 1.354 1.00 0.00 C ATOM 547 C ILE A 34 8.066 -7.430 2.707 1.00 0.00 C ATOM 548 O ILE A 34 7.299 -7.016 3.577 1.00 0.00 O ATOM 549 CB ILE A 34 9.341 -5.743 1.379 1.00 0.00 C ATOM 550 CG1 ILE A 34 9.058 -4.600 2.355 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.609 -5.203 -0.018 1.00 0.00 C ATOM 552 CD1 ILE A 34 9.803 -4.725 3.664 1.00 0.00 C ATOM 0 H ILE A 34 6.736 -5.203 1.526 1.00 0.00 H new ATOM 0 HA ILE A 34 8.342 -7.479 0.579 1.00 0.00 H new ATOM 0 HB ILE A 34 10.232 -6.271 1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.326 -3.655 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.988 -4.563 2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.445 -4.504 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.853 -6.029 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.721 -4.689 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.554 -3.880 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.517 -5.653 4.158 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.876 -4.732 3.473 1.00 0.00 H new ATOM 564 N TYR A 35 8.848 -8.493 2.876 1.00 0.00 N ATOM 565 CA TYR A 35 8.850 -9.251 4.122 1.00 0.00 C ATOM 566 C TYR A 35 10.221 -9.201 4.789 1.00 0.00 C ATOM 567 O TYR A 35 11.114 -8.479 4.344 1.00 0.00 O ATOM 568 CB TYR A 35 8.451 -10.704 3.858 1.00 0.00 C ATOM 569 CG TYR A 35 7.247 -10.847 2.955 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.325 -10.525 1.606 1.00 0.00 C ATOM 571 CD2 TYR A 35 6.033 -11.304 3.451 1.00 0.00 C ATOM 572 CE1 TYR A 35 6.226 -10.654 0.777 1.00 0.00 C ATOM 573 CE2 TYR A 35 4.930 -11.436 2.629 1.00 0.00 C ATOM 574 CZ TYR A 35 5.031 -11.110 1.293 1.00 0.00 C ATOM 575 OH TYR A 35 3.936 -11.240 0.471 1.00 0.00 O ATOM 0 H TYR A 35 9.488 -8.848 2.166 1.00 0.00 H new ATOM 0 HA TYR A 35 8.123 -8.797 4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.295 -11.228 3.410 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.241 -11.193 4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.259 -10.168 1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.950 -11.561 4.497 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.303 -10.399 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.993 -11.793 3.031 1.00 0.00 H new ATOM 0 HH TYR A 35 3.175 -11.574 0.990 1.00 0.00 H new ATOM 585 N ASP A 36 10.380 -9.975 5.859 1.00 0.00 N ATOM 586 CA ASP A 36 11.641 -10.021 6.589 1.00 0.00 C ATOM 587 C ASP A 36 12.638 -10.944 5.894 1.00 0.00 C ATOM 588 O ASP A 36 12.418 -11.370 4.760 1.00 0.00 O ATOM 589 CB ASP A 36 11.404 -10.489 8.028 1.00 0.00 C ATOM 590 CG ASP A 36 11.670 -9.394 9.042 1.00 0.00 C ATOM 591 OD1 ASP A 36 10.763 -8.565 9.271 1.00 0.00 O ATOM 592 OD2 ASP A 36 12.781 -9.367 9.609 1.00 0.00 O ATOM 0 H ASP A 36 9.651 -10.578 6.239 1.00 0.00 H new ATOM 0 HA ASP A 36 12.060 -9.015 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.375 -10.833 8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.048 -11.342 8.241 1.00 0.00 H new ATOM 597 N ARG A 37 13.733 -11.250 6.582 1.00 0.00 N ATOM 598 CA ARG A 37 14.763 -12.123 6.031 1.00 0.00 C ATOM 599 C ARG A 37 15.086 -13.261 6.995 1.00 0.00 C ATOM 600 O ARG A 37 16.237 -13.683 7.110 1.00 0.00 O ATOM 601 CB ARG A 37 16.030 -11.322 5.727 1.00 0.00 C ATOM 602 CG ARG A 37 16.787 -11.821 4.507 1.00 0.00 C ATOM 603 CD ARG A 37 17.846 -10.825 4.062 1.00 0.00 C ATOM 604 NE ARG A 37 18.938 -11.474 3.341 1.00 0.00 N ATOM 605 CZ ARG A 37 19.926 -12.140 3.934 1.00 0.00 C ATOM 606 NH1 ARG A 37 19.963 -12.247 5.257 1.00 0.00 N ATOM 607 NH2 ARG A 37 20.881 -12.699 3.203 1.00 0.00 N ATOM 0 H ARG A 37 13.930 -10.906 7.522 1.00 0.00 H new ATOM 0 HA ARG A 37 14.382 -12.553 5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.761 -10.277 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.690 -11.359 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.258 -12.777 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 37 16.087 -11.998 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 37 17.388 -10.070 3.423 1.00 0.00 H new ATOM 0 HD3 ARG A 37 18.245 -10.306 4.934 1.00 0.00 H new ATOM 0 HE ARG A 37 18.944 -11.413 2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 37 19.232 -11.818 5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 37 20.723 -12.759 5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 37 20.858 -12.618 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.638 -13.209 3.657 1.00 0.00 H new ATOM 621 N GLU A 38 14.062 -13.754 7.685 1.00 0.00 N ATOM 622 CA GLU A 38 14.239 -14.843 8.638 1.00 0.00 C ATOM 623 C GLU A 38 12.927 -15.588 8.861 1.00 0.00 C ATOM 624 O GLU A 38 12.862 -16.809 8.711 1.00 0.00 O ATOM 625 CB GLU A 38 14.764 -14.303 9.969 1.00 0.00 C ATOM 626 CG GLU A 38 15.298 -15.384 10.895 1.00 0.00 C ATOM 627 CD GLU A 38 16.778 -15.646 10.692 1.00 0.00 C ATOM 628 OE1 GLU A 38 17.489 -14.720 10.247 1.00 0.00 O ATOM 629 OE2 GLU A 38 17.225 -16.777 10.978 1.00 0.00 O ATOM 0 H GLU A 38 13.103 -13.417 7.602 1.00 0.00 H new ATOM 0 HA GLU A 38 14.967 -15.541 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.556 -13.581 9.772 1.00 0.00 H new ATOM 0 HB3 GLU A 38 13.962 -13.766 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.123 -15.090 11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.743 -16.307 10.728 1.00 0.00 H new ATOM 636 N THR A 39 11.883 -14.848 9.222 1.00 0.00 N ATOM 637 CA THR A 39 10.573 -15.440 9.467 1.00 0.00 C ATOM 638 C THR A 39 9.617 -15.179 8.303 1.00 0.00 C ATOM 639 O THR A 39 8.475 -15.639 8.316 1.00 0.00 O ATOM 640 CB THR A 39 9.977 -14.888 10.763 1.00 0.00 C ATOM 641 OG1 THR A 39 10.396 -13.551 10.977 1.00 0.00 O ATOM 642 CG2 THR A 39 10.358 -15.690 11.987 1.00 0.00 C ATOM 0 H THR A 39 11.919 -13.837 9.351 1.00 0.00 H new ATOM 0 HA THR A 39 10.707 -16.518 9.561 1.00 0.00 H new ATOM 0 HB THR A 39 8.896 -14.948 10.633 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.284 -13.321 11.923 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.902 -15.244 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.005 -16.715 11.875 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.442 -15.690 12.099 1.00 0.00 H new ATOM 650 N LYS A 40 10.084 -14.442 7.298 1.00 0.00 N ATOM 651 CA LYS A 40 9.260 -14.129 6.136 1.00 0.00 C ATOM 652 C LYS A 40 8.020 -13.342 6.544 1.00 0.00 C ATOM 653 O LYS A 40 6.939 -13.534 5.986 1.00 0.00 O ATOM 654 CB LYS A 40 8.850 -15.413 5.413 1.00 0.00 C ATOM 655 CG LYS A 40 9.899 -15.925 4.439 1.00 0.00 C ATOM 656 CD LYS A 40 9.294 -16.879 3.421 1.00 0.00 C ATOM 657 CE LYS A 40 10.367 -17.544 2.574 1.00 0.00 C ATOM 658 NZ LYS A 40 11.294 -16.549 1.969 1.00 0.00 N ATOM 0 H LYS A 40 11.026 -14.052 7.266 1.00 0.00 H new ATOM 0 HA LYS A 40 9.852 -13.513 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.645 -16.187 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.921 -15.235 4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.359 -15.083 3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.691 -16.433 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.712 -17.642 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.605 -16.335 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.935 -18.241 3.190 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.895 -18.128 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.890 -17.018 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.743 -15.792 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.897 -16.141 2.711 1.00 0.00 H new ATOM 672 N LYS A 41 8.181 -12.456 7.521 1.00 0.00 N ATOM 673 CA LYS A 41 7.073 -11.641 8.005 1.00 0.00 C ATOM 674 C LYS A 41 7.200 -10.200 7.512 1.00 0.00 C ATOM 675 O LYS A 41 8.301 -9.652 7.457 1.00 0.00 O ATOM 676 CB LYS A 41 7.024 -11.664 9.534 1.00 0.00 C ATOM 677 CG LYS A 41 6.706 -13.032 10.114 1.00 0.00 C ATOM 678 CD LYS A 41 6.524 -12.969 11.622 1.00 0.00 C ATOM 679 CE LYS A 41 7.150 -14.172 12.309 1.00 0.00 C ATOM 680 NZ LYS A 41 6.586 -14.388 13.671 1.00 0.00 N ATOM 0 H LYS A 41 9.069 -12.284 7.993 1.00 0.00 H new ATOM 0 HA LYS A 41 6.148 -12.062 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.984 -11.328 9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.274 -10.951 9.876 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.799 -13.422 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.510 -13.727 9.872 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.975 -12.054 12.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.461 -12.925 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.986 -15.063 11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.228 -14.029 12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.038 -15.217 14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.764 -13.548 14.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.561 -14.550 13.601 1.00 0.00 H new ATOM 694 N PRO A 42 6.072 -9.564 7.147 1.00 0.00 N ATOM 695 CA PRO A 42 6.070 -8.180 6.662 1.00 0.00 C ATOM 696 C PRO A 42 6.775 -7.230 7.623 1.00 0.00 C ATOM 697 O PRO A 42 6.355 -7.067 8.769 1.00 0.00 O ATOM 698 CB PRO A 42 4.582 -7.835 6.567 1.00 0.00 C ATOM 699 CG PRO A 42 3.897 -9.148 6.404 1.00 0.00 C ATOM 700 CD PRO A 42 4.714 -10.140 7.182 1.00 0.00 C ATOM 0 HA PRO A 42 6.604 -8.080 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.238 -7.318 7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.382 -7.177 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.875 -9.104 6.780 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.838 -9.430 5.353 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.349 -10.248 8.203 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.685 -11.130 6.727 1.00 0.00 H new ATOM 708 N LYS A 43 7.849 -6.603 7.151 1.00 0.00 N ATOM 709 CA LYS A 43 8.609 -5.668 7.972 1.00 0.00 C ATOM 710 C LYS A 43 7.721 -4.529 8.460 1.00 0.00 C ATOM 711 O LYS A 43 7.419 -4.431 9.649 1.00 0.00 O ATOM 712 CB LYS A 43 9.793 -5.107 7.184 1.00 0.00 C ATOM 713 CG LYS A 43 10.881 -6.131 6.905 1.00 0.00 C ATOM 714 CD LYS A 43 12.163 -5.466 6.431 1.00 0.00 C ATOM 715 CE LYS A 43 12.940 -6.365 5.481 1.00 0.00 C ATOM 716 NZ LYS A 43 14.407 -6.291 5.722 1.00 0.00 N ATOM 0 H LYS A 43 8.211 -6.726 6.206 1.00 0.00 H new ATOM 0 HA LYS A 43 8.986 -6.209 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.431 -4.707 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.224 -4.273 7.738 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.081 -6.706 7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.534 -6.835 6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.924 -4.527 5.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.786 -5.219 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.604 -7.395 5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.726 -6.077 4.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.900 -6.918 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.733 -5.313 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.614 -6.591 6.696 1.00 0.00 H new ATOM 730 N GLY A 44 7.303 -3.670 7.536 1.00 0.00 N ATOM 731 CA GLY A 44 6.452 -2.552 7.899 1.00 0.00 C ATOM 732 C GLY A 44 6.198 -1.601 6.745 1.00 0.00 C ATOM 733 O GLY A 44 6.089 -0.391 6.947 1.00 0.00 O ATOM 0 H GLY A 44 7.538 -3.728 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.499 -2.932 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.913 -2.003 8.720 1.00 0.00 H new ATOM 737 N PHE A 45 6.096 -2.142 5.533 1.00 0.00 N ATOM 738 CA PHE A 45 5.846 -1.320 4.352 1.00 0.00 C ATOM 739 C PHE A 45 5.735 -2.176 3.093 1.00 0.00 C ATOM 740 O PHE A 45 6.263 -3.287 3.031 1.00 0.00 O ATOM 741 CB PHE A 45 6.951 -0.273 4.180 1.00 0.00 C ATOM 742 CG PHE A 45 8.325 -0.857 4.014 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.027 -1.335 5.109 1.00 0.00 C ATOM 744 CD2 PHE A 45 8.917 -0.923 2.763 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.294 -1.868 4.959 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.183 -1.453 2.606 1.00 0.00 C ATOM 747 CZ PHE A 45 10.873 -1.927 3.705 1.00 0.00 C ATOM 0 H PHE A 45 6.182 -3.141 5.344 1.00 0.00 H new ATOM 0 HA PHE A 45 4.895 -0.809 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.722 0.343 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.950 0.387 5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.579 -1.291 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.382 -0.555 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.831 -2.238 5.820 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.633 -1.497 1.625 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.863 -2.343 3.585 1.00 0.00 H new ATOM 757 N GLY A 46 5.041 -1.646 2.092 1.00 0.00 N ATOM 758 CA GLY A 46 4.864 -2.364 0.843 1.00 0.00 C ATOM 759 C GLY A 46 4.944 -1.451 -0.364 1.00 0.00 C ATOM 760 O GLY A 46 5.385 -0.306 -0.256 1.00 0.00 O ATOM 0 H GLY A 46 4.596 -0.729 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.627 -3.138 0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.898 -2.868 0.851 1.00 0.00 H new ATOM 764 N PHE A 47 4.517 -1.957 -1.516 1.00 0.00 N ATOM 765 CA PHE A 47 4.542 -1.178 -2.748 1.00 0.00 C ATOM 766 C PHE A 47 3.334 -1.500 -3.622 1.00 0.00 C ATOM 767 O PHE A 47 2.884 -2.644 -3.681 1.00 0.00 O ATOM 768 CB PHE A 47 5.834 -1.449 -3.521 1.00 0.00 C ATOM 769 CG PHE A 47 6.912 -0.435 -3.262 1.00 0.00 C ATOM 770 CD1 PHE A 47 6.886 0.800 -3.891 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.950 -0.717 -2.389 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.876 1.734 -3.653 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.944 0.214 -2.149 1.00 0.00 C ATOM 774 CZ PHE A 47 8.906 1.441 -2.782 1.00 0.00 C ATOM 0 H PHE A 47 4.150 -2.903 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 47 4.501 -0.122 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.206 -2.439 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.612 -1.467 -4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.083 1.035 -4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.983 -1.674 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.844 2.693 -4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.749 -0.018 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.681 2.170 -2.596 1.00 0.00 H new ATOM 784 N VAL A 48 2.815 -0.482 -4.299 1.00 0.00 N ATOM 785 CA VAL A 48 1.660 -0.654 -5.172 1.00 0.00 C ATOM 786 C VAL A 48 1.876 0.044 -6.510 1.00 0.00 C ATOM 787 O VAL A 48 2.407 1.153 -6.564 1.00 0.00 O ATOM 788 CB VAL A 48 0.375 -0.104 -4.520 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.840 -0.418 -5.381 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.206 -0.668 -3.117 1.00 0.00 C ATOM 0 H VAL A 48 3.176 0.471 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 48 1.544 -1.725 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 48 0.464 0.980 -4.443 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.736 -0.022 -4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.719 0.040 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.936 -1.498 -5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.706 -0.269 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.140 -1.755 -3.167 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.062 -0.384 -2.505 1.00 0.00 H new ATOM 800 N GLU A 49 1.465 -0.614 -7.588 1.00 0.00 N ATOM 801 CA GLU A 49 1.615 -0.058 -8.927 1.00 0.00 C ATOM 802 C GLU A 49 0.348 0.676 -9.357 1.00 0.00 C ATOM 803 O GLU A 49 -0.674 0.053 -9.644 1.00 0.00 O ATOM 804 CB GLU A 49 1.946 -1.168 -9.929 1.00 0.00 C ATOM 805 CG GLU A 49 3.394 -1.159 -10.388 1.00 0.00 C ATOM 806 CD GLU A 49 3.678 -0.069 -11.403 1.00 0.00 C ATOM 807 OE1 GLU A 49 3.161 1.054 -11.228 1.00 0.00 O ATOM 808 OE2 GLU A 49 4.416 -0.339 -12.374 1.00 0.00 O ATOM 0 H GLU A 49 1.025 -1.534 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 49 2.436 0.658 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.723 -2.134 -9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.297 -1.067 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.044 -1.024 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.639 -2.128 -10.823 1.00 0.00 H new ATOM 815 N MET A 50 0.423 2.001 -9.398 1.00 0.00 N ATOM 816 CA MET A 50 -0.717 2.820 -9.791 1.00 0.00 C ATOM 817 C MET A 50 -0.289 3.923 -10.753 1.00 0.00 C ATOM 818 O MET A 50 0.876 4.323 -10.775 1.00 0.00 O ATOM 819 CB MET A 50 -1.383 3.432 -8.559 1.00 0.00 C ATOM 820 CG MET A 50 -2.428 2.532 -7.920 1.00 0.00 C ATOM 821 SD MET A 50 -3.483 3.411 -6.752 1.00 0.00 S ATOM 822 CE MET A 50 -5.106 2.958 -7.357 1.00 0.00 C ATOM 0 H MET A 50 1.262 2.531 -9.164 1.00 0.00 H new ATOM 0 HA MET A 50 -1.435 2.177 -10.300 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.616 3.665 -7.820 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.851 4.375 -8.841 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.047 2.090 -8.701 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.929 1.711 -7.406 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.869 3.468 -6.769 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.199 3.250 -8.403 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.240 1.880 -7.268 1.00 0.00 H new ATOM 832 N GLN A 51 -1.237 4.412 -11.546 1.00 0.00 N ATOM 833 CA GLN A 51 -0.955 5.469 -12.510 1.00 0.00 C ATOM 834 C GLN A 51 -0.956 6.837 -11.836 1.00 0.00 C ATOM 835 O GLN A 51 -1.592 7.028 -10.799 1.00 0.00 O ATOM 836 CB GLN A 51 -1.986 5.444 -13.641 1.00 0.00 C ATOM 837 CG GLN A 51 -1.443 5.944 -14.969 1.00 0.00 C ATOM 838 CD GLN A 51 -1.900 5.098 -16.142 1.00 0.00 C ATOM 839 OE1 GLN A 51 -3.002 4.548 -16.133 1.00 0.00 O ATOM 840 NE2 GLN A 51 -1.054 4.991 -17.159 1.00 0.00 N ATOM 0 H GLN A 51 -2.206 4.094 -11.540 1.00 0.00 H new ATOM 0 HA GLN A 51 0.037 5.291 -12.926 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.350 4.424 -13.767 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.842 6.055 -13.355 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.762 6.975 -15.123 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.354 5.950 -14.933 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.151 5.464 -17.123 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.307 4.436 -17.976 1.00 0.00 H new ATOM 849 N GLU A 52 -0.238 7.784 -12.431 1.00 0.00 N ATOM 850 CA GLU A 52 -0.150 9.138 -11.890 1.00 0.00 C ATOM 851 C GLU A 52 -1.537 9.710 -11.605 1.00 0.00 C ATOM 852 O GLU A 52 -1.706 10.533 -10.705 1.00 0.00 O ATOM 853 CB GLU A 52 0.595 10.052 -12.865 1.00 0.00 C ATOM 854 CG GLU A 52 2.043 9.649 -13.094 1.00 0.00 C ATOM 855 CD GLU A 52 2.212 8.734 -14.291 1.00 0.00 C ATOM 856 OE1 GLU A 52 1.446 8.884 -15.266 1.00 0.00 O ATOM 857 OE2 GLU A 52 3.110 7.867 -14.254 1.00 0.00 O ATOM 0 H GLU A 52 0.293 7.639 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 52 0.401 9.087 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.072 10.053 -13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.567 11.073 -12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.647 10.545 -13.238 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.422 9.149 -12.203 1.00 0.00 H new ATOM 864 N GLU A 53 -2.525 9.271 -12.376 1.00 0.00 N ATOM 865 CA GLU A 53 -3.895 9.742 -12.207 1.00 0.00 C ATOM 866 C GLU A 53 -4.509 9.186 -10.925 1.00 0.00 C ATOM 867 O GLU A 53 -5.296 9.860 -10.260 1.00 0.00 O ATOM 868 CB GLU A 53 -4.748 9.339 -13.411 1.00 0.00 C ATOM 869 CG GLU A 53 -4.255 9.922 -14.726 1.00 0.00 C ATOM 870 CD GLU A 53 -5.034 11.153 -15.147 1.00 0.00 C ATOM 871 OE1 GLU A 53 -6.162 10.996 -15.661 1.00 0.00 O ATOM 872 OE2 GLU A 53 -4.517 12.275 -14.961 1.00 0.00 O ATOM 0 H GLU A 53 -2.403 8.589 -13.125 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.871 10.829 -12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.763 8.252 -13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.776 9.661 -13.242 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.200 10.179 -14.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.331 9.164 -15.506 1.00 0.00 H new ATOM 879 N SER A 54 -4.145 7.953 -10.584 1.00 0.00 N ATOM 880 CA SER A 54 -4.663 7.311 -9.383 1.00 0.00 C ATOM 881 C SER A 54 -3.809 7.659 -8.167 1.00 0.00 C ATOM 882 O SER A 54 -4.333 7.958 -7.095 1.00 0.00 O ATOM 883 CB SER A 54 -4.711 5.793 -9.569 1.00 0.00 C ATOM 884 OG SER A 54 -3.489 5.304 -10.095 1.00 0.00 O ATOM 0 H SER A 54 -3.495 7.381 -11.122 1.00 0.00 H new ATOM 0 HA SER A 54 -5.674 7.681 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.917 5.313 -8.612 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.530 5.531 -10.240 1.00 0.00 H new ATOM 0 HG SER A 54 -2.875 6.053 -10.246 1.00 0.00 H new ATOM 890 N VAL A 55 -2.493 7.619 -8.344 1.00 0.00 N ATOM 891 CA VAL A 55 -1.567 7.929 -7.261 1.00 0.00 C ATOM 892 C VAL A 55 -1.805 9.335 -6.719 1.00 0.00 C ATOM 893 O VAL A 55 -1.590 9.601 -5.536 1.00 0.00 O ATOM 894 CB VAL A 55 -0.102 7.812 -7.724 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.848 7.989 -6.548 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.135 6.477 -8.414 1.00 0.00 C ATOM 0 H VAL A 55 -2.044 7.375 -9.227 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.751 7.201 -6.470 1.00 0.00 H new ATOM 0 HB VAL A 55 0.096 8.607 -8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.877 7.903 -6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.696 8.972 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.651 7.219 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.175 6.412 -8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.082 5.665 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.518 6.396 -9.283 1.00 0.00 H new ATOM 906 N SER A 56 -2.251 10.233 -7.591 1.00 0.00 N ATOM 907 CA SER A 56 -2.518 11.613 -7.201 1.00 0.00 C ATOM 908 C SER A 56 -3.553 11.677 -6.081 1.00 0.00 C ATOM 909 O SER A 56 -3.335 12.323 -5.056 1.00 0.00 O ATOM 910 CB SER A 56 -3.001 12.421 -8.407 1.00 0.00 C ATOM 911 OG SER A 56 -2.281 13.636 -8.530 1.00 0.00 O ATOM 0 H SER A 56 -2.435 10.030 -8.573 1.00 0.00 H new ATOM 0 HA SER A 56 -1.588 12.044 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.882 11.831 -9.315 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.065 12.634 -8.303 1.00 0.00 H new ATOM 0 HG SER A 56 -2.608 14.132 -9.309 1.00 0.00 H new ATOM 917 N GLU A 57 -4.681 11.005 -6.285 1.00 0.00 N ATOM 918 CA GLU A 57 -5.751 10.988 -5.293 1.00 0.00 C ATOM 919 C GLU A 57 -5.559 9.849 -4.295 1.00 0.00 C ATOM 920 O GLU A 57 -6.066 9.903 -3.175 1.00 0.00 O ATOM 921 CB GLU A 57 -7.110 10.852 -5.984 1.00 0.00 C ATOM 922 CG GLU A 57 -7.775 12.185 -6.287 1.00 0.00 C ATOM 923 CD GLU A 57 -9.278 12.064 -6.447 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.979 11.984 -5.417 1.00 0.00 O ATOM 925 OE2 GLU A 57 -9.753 12.048 -7.601 1.00 0.00 O ATOM 0 H GLU A 57 -4.878 10.465 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.718 11.930 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.981 10.300 -6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.772 10.261 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.554 12.888 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.348 12.600 -7.200 1.00 0.00 H new ATOM 932 N ALA A 58 -4.827 8.817 -4.707 1.00 0.00 N ATOM 933 CA ALA A 58 -4.573 7.665 -3.848 1.00 0.00 C ATOM 934 C ALA A 58 -3.956 8.087 -2.519 1.00 0.00 C ATOM 935 O ALA A 58 -4.318 7.569 -1.468 1.00 0.00 O ATOM 936 CB ALA A 58 -3.670 6.669 -4.558 1.00 0.00 C ATOM 0 H ALA A 58 -4.399 8.756 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.530 7.188 -3.634 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.488 5.814 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.152 6.330 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.722 7.147 -4.802 1.00 0.00 H new ATOM 942 N ILE A 59 -3.023 9.029 -2.576 1.00 0.00 N ATOM 943 CA ILE A 59 -2.351 9.525 -1.378 1.00 0.00 C ATOM 944 C ILE A 59 -3.101 10.718 -0.786 1.00 0.00 C ATOM 945 O ILE A 59 -2.998 11.005 0.408 1.00 0.00 O ATOM 946 CB ILE A 59 -0.893 9.937 -1.702 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.118 8.738 -2.254 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.187 10.502 -0.477 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.673 9.053 -3.504 1.00 0.00 C ATOM 0 H ILE A 59 -2.712 9.468 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.340 8.718 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.927 10.722 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.563 8.371 -1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.819 7.932 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.833 10.780 -0.741 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.723 11.382 -0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.165 9.748 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.197 8.157 -3.839 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.005 9.391 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.398 9.838 -3.288 1.00 0.00 H new ATOM 961 N ALA A 60 -3.850 11.412 -1.634 1.00 0.00 N ATOM 962 CA ALA A 60 -4.613 12.582 -1.218 1.00 0.00 C ATOM 963 C ALA A 60 -5.578 12.279 -0.074 1.00 0.00 C ATOM 964 O ALA A 60 -5.549 12.940 0.964 1.00 0.00 O ATOM 965 CB ALA A 60 -5.380 13.142 -2.405 1.00 0.00 C ATOM 0 H ALA A 60 -3.945 11.182 -2.623 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.899 13.319 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.949 14.017 -2.090 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.679 13.428 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.063 12.383 -2.788 1.00 0.00 H new ATOM 971 N LYS A 61 -6.450 11.296 -0.278 1.00 0.00 N ATOM 972 CA LYS A 61 -7.442 10.935 0.731 1.00 0.00 C ATOM 973 C LYS A 61 -6.928 9.865 1.688 1.00 0.00 C ATOM 974 O LYS A 61 -7.469 9.691 2.780 1.00 0.00 O ATOM 975 CB LYS A 61 -8.727 10.452 0.052 1.00 0.00 C ATOM 976 CG LYS A 61 -9.906 11.393 0.244 1.00 0.00 C ATOM 977 CD LYS A 61 -9.937 12.478 -0.824 1.00 0.00 C ATOM 978 CE LYS A 61 -11.259 12.485 -1.577 1.00 0.00 C ATOM 979 NZ LYS A 61 -11.763 13.867 -1.799 1.00 0.00 N ATOM 0 H LYS A 61 -6.490 10.736 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.648 11.829 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.541 10.329 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.989 9.470 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.835 10.824 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.848 11.854 1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.777 13.451 -0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.118 12.321 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.132 11.986 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.999 11.914 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.665 13.829 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.908 14.335 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.068 14.405 -2.356 1.00 0.00 H new ATOM 993 N LEU A 62 -5.897 9.138 1.277 1.00 0.00 N ATOM 994 CA LEU A 62 -5.342 8.080 2.111 1.00 0.00 C ATOM 995 C LEU A 62 -4.316 8.623 3.100 1.00 0.00 C ATOM 996 O LEU A 62 -4.593 8.741 4.293 1.00 0.00 O ATOM 997 CB LEU A 62 -4.709 7.004 1.235 1.00 0.00 C ATOM 998 CG LEU A 62 -5.693 6.223 0.363 1.00 0.00 C ATOM 999 CD1 LEU A 62 -4.972 5.126 -0.405 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.811 5.637 1.212 1.00 0.00 C ATOM 0 H LEU A 62 -5.431 9.260 0.378 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.159 7.645 2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.966 7.472 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.177 6.301 1.876 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.135 6.911 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.688 4.581 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.209 5.570 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.501 4.439 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.501 5.085 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.387 4.963 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.347 6.442 1.714 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.128 8.943 2.598 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.058 9.463 3.442 1.00 0.00 C ATOM 1014 C ASP A 63 -2.511 10.710 4.201 1.00 0.00 C ATOM 1015 O ASP A 63 -3.168 11.588 3.642 1.00 0.00 O ATOM 1016 CB ASP A 63 -0.812 9.757 2.590 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.452 11.232 2.526 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.300 12.032 2.079 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.679 11.585 2.922 1.00 0.00 O ATOM 0 H ASP A 63 -2.882 8.852 1.612 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.802 8.705 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.034 9.202 2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.979 9.388 1.578 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.151 10.778 5.480 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.514 11.913 6.321 1.00 0.00 C ATOM 1026 C ASN A 64 -2.001 11.719 7.744 1.00 0.00 C ATOM 1027 O ASN A 64 -1.198 12.510 8.239 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.033 12.107 6.334 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.431 13.566 6.235 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -3.728 14.448 6.730 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -5.563 13.829 5.593 1.00 0.00 N ATOM 0 H ASN A 64 -1.607 10.059 5.957 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.048 12.805 5.903 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.474 11.556 5.503 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.443 11.683 7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.881 14.793 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.114 13.067 5.198 1.00 0.00 H new ATOM 1038 N THR A 65 -2.470 10.661 8.397 1.00 0.00 N ATOM 1039 CA THR A 65 -2.058 10.361 9.764 1.00 0.00 C ATOM 1040 C THR A 65 -1.708 8.884 9.914 1.00 0.00 C ATOM 1041 O THR A 65 -1.678 8.140 8.934 1.00 0.00 O ATOM 1042 CB THR A 65 -3.168 10.740 10.746 1.00 0.00 C ATOM 1043 OG1 THR A 65 -4.423 10.792 10.091 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.944 12.080 11.414 1.00 0.00 C ATOM 0 H THR A 65 -3.136 9.997 8.002 1.00 0.00 H new ATOM 0 HA THR A 65 -1.168 10.949 9.989 1.00 0.00 H new ATOM 0 HB THR A 65 -3.154 9.963 11.510 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.119 11.034 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.767 12.288 12.098 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.007 12.057 11.971 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.896 12.861 10.655 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.445 8.466 11.149 1.00 0.00 N ATOM 1053 CA ASP A 66 -1.098 7.077 11.428 1.00 0.00 C ATOM 1054 C ASP A 66 -2.262 6.350 12.091 1.00 0.00 C ATOM 1055 O ASP A 66 -2.698 6.720 13.181 1.00 0.00 O ATOM 1056 CB ASP A 66 0.140 7.010 12.323 1.00 0.00 C ATOM 1057 CG ASP A 66 0.776 5.634 12.328 1.00 0.00 C ATOM 1058 OD1 ASP A 66 1.086 5.120 11.232 1.00 0.00 O ATOM 1059 OD2 ASP A 66 0.967 5.071 13.426 1.00 0.00 O ATOM 0 H ASP A 66 -1.466 9.069 11.971 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.879 6.584 10.481 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.871 7.744 11.983 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.136 7.283 13.341 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.762 5.312 11.427 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.876 4.533 11.952 1.00 0.00 C ATOM 1066 C PHE A 67 -3.615 3.037 11.797 1.00 0.00 C ATOM 1067 O PHE A 67 -2.488 2.617 11.538 1.00 0.00 O ATOM 1068 CB PHE A 67 -5.176 4.920 11.240 1.00 0.00 C ATOM 1069 CG PHE A 67 -6.215 5.494 12.158 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -6.203 6.840 12.487 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -7.205 4.686 12.696 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -7.157 7.371 13.333 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -8.162 5.211 13.542 1.00 0.00 C ATOM 1074 CZ PHE A 67 -8.139 6.555 13.861 1.00 0.00 C ATOM 0 H PHE A 67 -2.412 4.992 10.524 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.976 4.754 13.015 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.951 5.647 10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.586 4.039 10.746 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.438 7.482 12.077 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.228 3.634 12.451 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.135 8.422 13.581 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -8.928 4.571 13.954 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.887 6.967 14.522 1.00 0.00 H new ATOM 1084 N MET A 68 -4.665 2.236 11.959 1.00 0.00 N ATOM 1085 CA MET A 68 -4.547 0.787 11.838 1.00 0.00 C ATOM 1086 C MET A 68 -4.952 0.319 10.442 1.00 0.00 C ATOM 1087 O MET A 68 -5.482 -0.780 10.275 1.00 0.00 O ATOM 1088 CB MET A 68 -5.411 0.097 12.897 1.00 0.00 C ATOM 1089 CG MET A 68 -4.604 -0.629 13.960 1.00 0.00 C ATOM 1090 SD MET A 68 -4.724 -2.423 13.822 1.00 0.00 S ATOM 1091 CE MET A 68 -6.475 -2.668 14.107 1.00 0.00 C ATOM 0 H MET A 68 -5.606 2.566 12.174 1.00 0.00 H new ATOM 0 HA MET A 68 -3.503 0.516 11.998 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.045 0.842 13.379 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.074 -0.615 12.406 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.558 -0.332 13.882 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.950 -0.321 14.947 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.637 -3.648 14.556 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.846 -1.895 14.780 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.009 -2.611 13.159 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.697 1.157 9.442 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.041 0.808 8.075 1.00 0.00 C ATOM 1103 C GLY A 69 -6.147 1.678 7.513 1.00 0.00 C ATOM 1104 O GLY A 69 -6.959 1.217 6.711 1.00 0.00 O ATOM 0 H GLY A 69 -4.259 2.071 9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.155 0.901 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.351 -0.236 8.037 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.180 2.938 7.934 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.196 3.873 7.465 1.00 0.00 C ATOM 1110 C ARG A 70 -6.570 4.982 6.625 1.00 0.00 C ATOM 1111 O ARG A 70 -7.174 5.464 5.666 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.951 4.476 8.653 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.329 3.870 8.866 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.614 3.631 10.341 1.00 0.00 C ATOM 1115 NE ARG A 70 -10.953 4.075 10.718 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.582 3.678 11.822 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -10.997 2.828 12.658 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.799 4.130 12.092 1.00 0.00 N ATOM 0 H ARG A 70 -5.516 3.335 8.598 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.899 3.324 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.359 4.339 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.055 5.550 8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.087 4.534 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.400 2.927 8.324 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.508 2.569 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.874 4.158 10.943 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.435 4.727 10.099 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.061 2.476 12.456 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.483 2.527 13.503 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.254 4.782 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.280 3.825 12.938 1.00 0.00 H new ATOM 1132 N THR A 71 -5.356 5.381 6.988 1.00 0.00 N ATOM 1133 CA THR A 71 -4.647 6.432 6.266 1.00 0.00 C ATOM 1134 C THR A 71 -3.176 6.069 6.085 1.00 0.00 C ATOM 1135 O THR A 71 -2.695 5.935 4.960 1.00 0.00 O ATOM 1136 CB THR A 71 -4.776 7.773 7.000 1.00 0.00 C ATOM 1137 OG1 THR A 71 -3.739 8.659 6.616 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.738 7.650 8.510 1.00 0.00 C ATOM 0 H THR A 71 -4.842 4.992 7.779 1.00 0.00 H new ATOM 0 HA THR A 71 -5.101 6.529 5.280 1.00 0.00 H new ATOM 0 HB THR A 71 -5.755 8.157 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.765 8.792 5.645 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.835 8.639 8.958 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.561 7.018 8.844 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.791 7.204 8.815 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.467 5.910 7.197 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.051 5.559 7.157 1.00 0.00 C ATOM 1148 C ILE A 72 -0.248 6.620 6.411 1.00 0.00 C ATOM 1149 O ILE A 72 -0.807 7.429 5.672 1.00 0.00 O ATOM 1150 CB ILE A 72 -0.825 4.191 6.482 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -1.922 3.200 6.887 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.548 3.644 6.846 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.858 2.840 5.753 1.00 0.00 C ATOM 0 H ILE A 72 -2.849 6.018 8.137 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.709 5.503 8.191 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.871 4.327 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.457 2.290 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.502 3.627 7.705 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.695 2.678 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.317 4.339 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.617 3.523 7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.609 2.135 6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.351 3.741 5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.289 2.384 4.943 1.00 0.00 H new ATOM 1165 N ARG A 73 1.066 6.611 6.608 1.00 0.00 N ATOM 1166 CA ARG A 73 1.942 7.574 5.952 1.00 0.00 C ATOM 1167 C ARG A 73 2.383 7.063 4.583 1.00 0.00 C ATOM 1168 O ARG A 73 3.519 6.618 4.411 1.00 0.00 O ATOM 1169 CB ARG A 73 3.166 7.861 6.828 1.00 0.00 C ATOM 1170 CG ARG A 73 3.142 9.239 7.471 1.00 0.00 C ATOM 1171 CD ARG A 73 3.842 10.271 6.602 1.00 0.00 C ATOM 1172 NE ARG A 73 5.248 9.941 6.383 1.00 0.00 N ATOM 1173 CZ ARG A 73 6.211 10.169 7.273 1.00 0.00 C ATOM 1174 NH1 ARG A 73 5.925 10.725 8.443 1.00 0.00 N ATOM 1175 NH2 ARG A 73 7.465 9.840 6.991 1.00 0.00 N ATOM 0 H ARG A 73 1.547 5.948 7.216 1.00 0.00 H new ATOM 0 HA ARG A 73 1.384 8.500 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.228 7.105 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.067 7.767 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.110 9.545 7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.626 9.195 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.332 10.341 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.769 11.251 7.074 1.00 0.00 H new ATOM 0 HE ARG A 73 5.507 9.510 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.963 10.980 8.665 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.667 10.897 9.121 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.690 9.413 6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.204 10.014 7.673 1.00 0.00 H new ATOM 1189 N VAL A 74 1.477 7.128 3.613 1.00 0.00 N ATOM 1190 CA VAL A 74 1.774 6.672 2.260 1.00 0.00 C ATOM 1191 C VAL A 74 2.159 7.841 1.358 1.00 0.00 C ATOM 1192 O VAL A 74 1.791 8.987 1.618 1.00 0.00 O ATOM 1193 CB VAL A 74 0.573 5.928 1.641 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.629 6.851 1.515 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.948 5.341 0.288 1.00 0.00 C ATOM 0 H VAL A 74 0.532 7.492 3.738 1.00 0.00 H new ATOM 0 HA VAL A 74 2.616 5.984 2.335 1.00 0.00 H new ATOM 0 HB VAL A 74 0.300 5.108 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.463 6.304 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.913 7.215 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.373 7.696 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.088 4.820 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.252 6.143 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.773 4.639 0.412 1.00 0.00 H new ATOM 1205 N THR A 75 2.902 7.543 0.298 1.00 0.00 N ATOM 1206 CA THR A 75 3.336 8.568 -0.644 1.00 0.00 C ATOM 1207 C THR A 75 3.895 7.939 -1.915 1.00 0.00 C ATOM 1208 O THR A 75 4.258 6.762 -1.929 1.00 0.00 O ATOM 1209 CB THR A 75 4.394 9.466 0.001 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.808 10.478 -0.900 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.629 8.714 0.446 1.00 0.00 C ATOM 0 H THR A 75 3.216 6.600 0.069 1.00 0.00 H new ATOM 0 HA THR A 75 2.468 9.171 -0.911 1.00 0.00 H new ATOM 0 HB THR A 75 3.913 9.892 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.483 11.043 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.337 9.411 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.350 7.958 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.091 8.231 -0.415 1.00 0.00 H new ATOM 1219 N GLU A 76 3.962 8.729 -2.981 1.00 0.00 N ATOM 1220 CA GLU A 76 4.477 8.249 -4.258 1.00 0.00 C ATOM 1221 C GLU A 76 6.002 8.282 -4.277 1.00 0.00 C ATOM 1222 O GLU A 76 6.608 9.351 -4.350 1.00 0.00 O ATOM 1223 CB GLU A 76 3.922 9.095 -5.405 1.00 0.00 C ATOM 1224 CG GLU A 76 4.251 10.574 -5.286 1.00 0.00 C ATOM 1225 CD GLU A 76 3.060 11.463 -5.587 1.00 0.00 C ATOM 1226 OE1 GLU A 76 2.173 11.029 -6.351 1.00 0.00 O ATOM 1227 OE2 GLU A 76 3.016 12.593 -5.058 1.00 0.00 O ATOM 0 H GLU A 76 3.666 9.705 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 76 4.153 7.216 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.318 8.718 -6.348 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.839 8.974 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.610 10.783 -4.278 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.064 10.818 -5.970 1.00 0.00 H new ATOM 1234 N ALA A 77 6.615 7.105 -4.210 1.00 0.00 N ATOM 1235 CA ALA A 77 8.069 7.001 -4.219 1.00 0.00 C ATOM 1236 C ALA A 77 8.618 7.107 -5.638 1.00 0.00 C ATOM 1237 O ALA A 77 9.274 8.126 -5.942 1.00 0.00 O ATOM 1238 CB ALA A 77 8.507 5.692 -3.579 1.00 0.00 C ATOM 0 H ALA A 77 6.128 6.211 -4.149 1.00 0.00 H new ATOM 0 HA ALA A 77 8.472 7.831 -3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.595 5.627 -3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.154 5.655 -2.549 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.087 4.855 -4.137 1.00 0.00 H new