USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot 7:sc= 0.351! USER MOD Single : A 26 SER OG : rot -155:sc= -2.93! USER MOD Single : A 30 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.906 K(o=-0.91,f=-0.023) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 32:sc= 0.343 USER MOD Single : A 52 SER OG : rot 180:sc= -0.213 USER MOD Single : A 67 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.011) USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -1.38 (180deg=-2.01!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0.00134 X(o=0.0013,f=-0.16) USER MOD Single : A 91 TYR OH : rot 60:sc= 1.44 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 94 HIS : no HE2:sc= -13.7! C(o=-14!,f=-10!) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= -2.91 (180deg=-3.41) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.368 10.237 -6.545 1.00 0.00 N ATOM 28 CA LEU A 23 -6.405 8.816 -6.226 1.00 0.00 C ATOM 29 C LEU A 23 -6.194 8.606 -4.733 1.00 0.00 C ATOM 30 O LEU A 23 -5.311 9.217 -4.133 1.00 0.00 O ATOM 31 CB LEU A 23 -5.349 8.057 -7.038 1.00 0.00 C ATOM 32 CG LEU A 23 -5.451 8.180 -8.573 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.511 6.804 -9.219 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.657 9.012 -9.003 1.00 0.00 C ATOM 0 HA LEU A 23 -7.386 8.422 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.364 8.408 -6.731 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.408 7.001 -6.774 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.553 8.697 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.583 6.913 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.609 6.245 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.384 6.267 -8.850 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.689 9.072 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.571 8.543 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.573 10.016 -8.587 1.00 0.00 H new ATOM 46 N ARG A 24 -7.021 7.756 -4.129 1.00 0.00 N ATOM 47 CA ARG A 24 -6.924 7.493 -2.701 1.00 0.00 C ATOM 48 C ARG A 24 -6.303 6.129 -2.424 1.00 0.00 C ATOM 49 O ARG A 24 -6.732 5.111 -2.967 1.00 0.00 O ATOM 50 CB ARG A 24 -8.305 7.607 -2.036 1.00 0.00 C ATOM 51 CG ARG A 24 -9.162 6.351 -2.133 1.00 0.00 C ATOM 52 CD ARG A 24 -9.236 5.623 -0.800 1.00 0.00 C ATOM 53 NE ARG A 24 -10.480 4.870 -0.656 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.648 5.424 -0.338 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.737 6.732 -0.132 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.732 4.667 -0.226 1.00 0.00 N ATOM 0 H ARG A 24 -7.761 7.241 -4.606 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.267 8.247 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.167 7.857 -0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.846 8.436 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.167 6.619 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.749 5.685 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.388 4.943 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.153 6.345 0.012 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.452 3.862 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.907 7.319 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.635 7.150 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.670 3.661 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.627 5.091 0.018 1.00 0.00 H new ATOM 70 N LEU A 25 -5.293 6.119 -1.564 1.00 0.00 N ATOM 71 CA LEU A 25 -4.618 4.892 -1.194 1.00 0.00 C ATOM 72 C LEU A 25 -5.314 4.276 0.009 1.00 0.00 C ATOM 73 O LEU A 25 -5.749 4.989 0.913 1.00 0.00 O ATOM 74 CB LEU A 25 -3.155 5.174 -0.866 1.00 0.00 C ATOM 75 CG LEU A 25 -2.220 3.985 -1.037 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.772 4.395 -0.821 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.604 2.864 -0.089 1.00 0.00 C ATOM 0 H LEU A 25 -4.925 6.955 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.657 4.194 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.805 5.987 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.090 5.524 0.164 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.319 3.622 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.125 3.527 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.499 5.161 -1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.653 4.791 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.924 2.023 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.539 3.219 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.625 2.544 -0.299 1.00 0.00 H new ATOM 89 N SER A 26 -5.427 2.957 0.021 1.00 0.00 N ATOM 90 CA SER A 26 -6.083 2.273 1.129 1.00 0.00 C ATOM 91 C SER A 26 -5.407 0.945 1.410 1.00 0.00 C ATOM 92 O SER A 26 -5.523 0.000 0.634 1.00 0.00 O ATOM 93 CB SER A 26 -7.568 2.061 0.822 1.00 0.00 C ATOM 94 OG SER A 26 -7.898 2.549 -0.465 1.00 0.00 O ATOM 0 H SER A 26 -5.078 2.343 -0.714 1.00 0.00 H new ATOM 0 HA SER A 26 -5.998 2.898 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.807 0.999 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.174 2.568 1.573 1.00 0.00 H new ATOM 0 HG SER A 26 -8.851 2.774 -0.495 1.00 0.00 H new ATOM 100 N VAL A 27 -4.695 0.885 2.523 1.00 0.00 N ATOM 101 CA VAL A 27 -3.988 -0.323 2.901 1.00 0.00 C ATOM 102 C VAL A 27 -4.786 -1.157 3.891 1.00 0.00 C ATOM 103 O VAL A 27 -5.227 -0.665 4.929 1.00 0.00 O ATOM 104 CB VAL A 27 -2.616 0.006 3.506 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.776 0.792 4.794 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.820 -1.266 3.734 1.00 0.00 C ATOM 0 H VAL A 27 -4.592 1.659 3.179 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.850 -0.903 1.989 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.063 0.628 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.793 1.016 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.304 1.723 4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.346 0.202 5.512 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.850 -1.016 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.363 -1.917 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.675 -1.780 2.784 1.00 0.00 H new ATOM 116 N PHE A 28 -4.968 -2.425 3.553 1.00 0.00 N ATOM 117 CA PHE A 28 -5.707 -3.340 4.390 1.00 0.00 C ATOM 118 C PHE A 28 -4.796 -4.376 5.031 1.00 0.00 C ATOM 119 O PHE A 28 -3.861 -4.878 4.406 1.00 0.00 O ATOM 120 CB PHE A 28 -6.786 -4.038 3.574 1.00 0.00 C ATOM 121 CG PHE A 28 -8.049 -4.186 4.348 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.664 -3.068 4.876 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.605 -5.431 4.573 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.815 -3.184 5.618 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.763 -5.557 5.313 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.370 -4.432 5.839 1.00 0.00 C ATOM 0 H PHE A 28 -4.607 -2.841 2.694 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.169 -2.759 5.188 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.980 -3.469 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.431 -5.021 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.236 -2.092 4.704 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.130 -6.312 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.285 -2.302 6.028 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.194 -6.533 5.481 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.275 -4.527 6.421 1.00 0.00 H new ATOM 136 N ARG A 29 -5.092 -4.699 6.282 1.00 0.00 N ATOM 137 CA ARG A 29 -4.326 -5.686 7.026 1.00 0.00 C ATOM 138 C ARG A 29 -5.226 -6.380 8.039 1.00 0.00 C ATOM 139 O ARG A 29 -5.777 -5.739 8.934 1.00 0.00 O ATOM 140 CB ARG A 29 -3.143 -5.024 7.736 1.00 0.00 C ATOM 141 CG ARG A 29 -2.468 -3.940 6.914 1.00 0.00 C ATOM 142 CD ARG A 29 -1.389 -3.235 7.715 1.00 0.00 C ATOM 143 NE ARG A 29 -0.591 -2.330 6.893 1.00 0.00 N ATOM 144 CZ ARG A 29 -0.863 -1.044 6.718 1.00 0.00 C ATOM 145 NH1 ARG A 29 -1.962 -0.514 7.236 1.00 0.00 N ATOM 146 NH2 ARG A 29 -0.039 -0.293 6.002 1.00 0.00 N ATOM 0 H ARG A 29 -5.864 -4.287 6.806 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.936 -6.427 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.489 -4.593 8.675 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.408 -5.788 7.988 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.030 -4.379 6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.211 -3.215 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.851 -2.673 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.736 -3.978 8.173 1.00 0.00 H new ATOM 0 HE ARG A 29 0.229 -2.712 6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.605 -1.096 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.165 0.476 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.798 -0.705 5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.242 0.697 5.863 1.00 0.00 H new ATOM 160 N SER A 30 -5.376 -7.689 7.895 1.00 0.00 N ATOM 161 CA SER A 30 -6.219 -8.458 8.803 1.00 0.00 C ATOM 162 C SER A 30 -5.404 -8.959 9.989 1.00 0.00 C ATOM 163 O SER A 30 -5.852 -8.913 11.135 1.00 0.00 O ATOM 164 CB SER A 30 -6.854 -9.640 8.069 1.00 0.00 C ATOM 165 OG SER A 30 -5.899 -10.317 7.269 1.00 0.00 O ATOM 0 H SER A 30 -4.928 -8.240 7.162 1.00 0.00 H new ATOM 0 HA SER A 30 -7.011 -7.806 9.171 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.284 -10.333 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.672 -9.286 7.442 1.00 0.00 H new ATOM 0 HG SER A 30 -6.330 -11.069 6.812 1.00 0.00 H new ATOM 171 N LEU A 31 -4.201 -9.434 9.695 1.00 0.00 N ATOM 172 CA LEU A 31 -3.296 -9.948 10.714 1.00 0.00 C ATOM 173 C LEU A 31 -2.002 -10.416 10.063 1.00 0.00 C ATOM 174 O LEU A 31 -0.910 -9.990 10.438 1.00 0.00 O ATOM 175 CB LEU A 31 -3.946 -11.106 11.476 1.00 0.00 C ATOM 176 CG LEU A 31 -3.417 -11.327 12.894 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.529 -11.818 13.808 1.00 0.00 C ATOM 178 CD2 LEU A 31 -2.260 -12.315 12.881 1.00 0.00 C ATOM 0 H LEU A 31 -3.826 -9.474 8.747 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.076 -9.149 11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.020 -10.928 11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.803 -12.023 10.904 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.053 -10.375 13.279 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.134 -11.970 14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.327 -11.077 13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.924 -12.760 13.427 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.895 -12.461 13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.600 -13.268 12.477 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.455 -11.924 12.259 1.00 0.00 H new ATOM 190 N LYS A 32 -2.144 -11.291 9.075 1.00 0.00 N ATOM 191 CA LYS A 32 -1.002 -11.824 8.345 1.00 0.00 C ATOM 192 C LYS A 32 -1.089 -11.471 6.858 1.00 0.00 C ATOM 193 O LYS A 32 -0.161 -11.738 6.096 1.00 0.00 O ATOM 194 CB LYS A 32 -0.932 -13.342 8.518 1.00 0.00 C ATOM 195 CG LYS A 32 0.402 -13.942 8.108 1.00 0.00 C ATOM 196 CD LYS A 32 0.303 -15.448 7.917 1.00 0.00 C ATOM 197 CE LYS A 32 0.378 -15.830 6.448 1.00 0.00 C ATOM 198 NZ LYS A 32 -0.524 -16.970 6.124 1.00 0.00 N ATOM 0 H LYS A 32 -3.046 -11.648 8.760 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.097 -11.373 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.126 -13.589 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.724 -13.803 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.741 -13.479 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.151 -13.719 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.109 -15.939 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.635 -15.808 8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.110 -14.969 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.404 -16.095 6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.444 -17.200 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.253 -17.799 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.507 -16.708 6.342 1.00 0.00 H new ATOM 212 N HIS A 33 -2.214 -10.882 6.449 1.00 0.00 N ATOM 213 CA HIS A 33 -2.420 -10.510 5.052 1.00 0.00 C ATOM 214 C HIS A 33 -2.376 -8.998 4.861 1.00 0.00 C ATOM 215 O HIS A 33 -3.222 -8.271 5.380 1.00 0.00 O ATOM 216 CB HIS A 33 -3.766 -11.041 4.557 1.00 0.00 C ATOM 217 CG HIS A 33 -3.856 -12.535 4.535 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.863 -13.219 3.886 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.059 -13.479 5.088 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.681 -14.519 4.042 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.593 -14.702 4.767 1.00 0.00 N ATOM 0 H HIS A 33 -2.994 -10.653 7.065 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.610 -10.954 4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.558 -10.648 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.948 -10.661 3.552 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.168 -13.303 5.673 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.314 -15.298 3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.211 -15.606 5.044 1.00 0.00 H new ATOM 230 N ILE A 34 -1.393 -8.535 4.100 1.00 0.00 N ATOM 231 CA ILE A 34 -1.238 -7.119 3.817 1.00 0.00 C ATOM 232 C ILE A 34 -1.680 -6.820 2.386 1.00 0.00 C ATOM 233 O ILE A 34 -1.302 -7.533 1.457 1.00 0.00 O ATOM 234 CB ILE A 34 0.226 -6.689 3.993 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.389 -5.204 3.694 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.127 -7.513 3.092 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.172 -4.334 4.901 1.00 0.00 C ATOM 0 H ILE A 34 -0.686 -9.128 3.665 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.860 -6.562 4.518 1.00 0.00 H new ATOM 0 HB ILE A 34 0.515 -6.863 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.390 -5.026 3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.316 -4.917 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.162 -7.198 3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.032 -8.568 3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.835 -7.365 2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.302 -3.288 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.838 -4.486 5.282 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.895 -4.597 5.674 1.00 0.00 H new ATOM 249 N TYR A 35 -2.493 -5.782 2.207 1.00 0.00 N ATOM 250 CA TYR A 35 -2.983 -5.440 0.875 1.00 0.00 C ATOM 251 C TYR A 35 -3.175 -3.935 0.690 1.00 0.00 C ATOM 252 O TYR A 35 -4.118 -3.362 1.224 1.00 0.00 O ATOM 253 CB TYR A 35 -4.322 -6.144 0.622 1.00 0.00 C ATOM 254 CG TYR A 35 -4.191 -7.613 0.277 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.804 -8.541 1.236 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.454 -8.069 -1.008 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.681 -9.881 0.924 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.335 -9.409 -1.328 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.946 -10.310 -0.359 1.00 0.00 C ATOM 260 OH TYR A 35 -3.826 -11.644 -0.674 1.00 0.00 O ATOM 0 H TYR A 35 -2.822 -5.172 2.955 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.228 -5.772 0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.946 -6.044 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.840 -5.635 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.596 -8.209 2.242 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.756 -7.366 -1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.379 -10.589 1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.546 -9.748 -2.331 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.050 -11.778 -1.619 1.00 0.00 H new ATOM 270 N ALA A 36 -2.319 -3.304 -0.115 1.00 0.00 N ATOM 271 CA ALA A 36 -2.470 -1.882 -0.390 1.00 0.00 C ATOM 272 C ALA A 36 -3.282 -1.717 -1.656 1.00 0.00 C ATOM 273 O ALA A 36 -2.960 -2.286 -2.700 1.00 0.00 O ATOM 274 CB ALA A 36 -1.134 -1.157 -0.517 1.00 0.00 C ATOM 0 H ALA A 36 -1.528 -3.750 -0.579 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.983 -1.427 0.457 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.311 -0.101 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.576 -1.257 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.559 -1.594 -1.334 1.00 0.00 H new ATOM 280 N GLN A 37 -4.347 -0.955 -1.542 1.00 0.00 N ATOM 281 CA GLN A 37 -5.243 -0.717 -2.659 1.00 0.00 C ATOM 282 C GLN A 37 -5.200 0.736 -3.084 1.00 0.00 C ATOM 283 O GLN A 37 -5.626 1.628 -2.351 1.00 0.00 O ATOM 284 CB GLN A 37 -6.676 -1.109 -2.289 1.00 0.00 C ATOM 285 CG GLN A 37 -7.566 -1.362 -3.495 1.00 0.00 C ATOM 286 CD GLN A 37 -8.804 -2.167 -3.147 1.00 0.00 C ATOM 287 OE1 GLN A 37 -9.753 -1.645 -2.563 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.798 -3.446 -3.504 1.00 0.00 N ATOM 0 H GLN A 37 -4.618 -0.484 -0.679 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.911 -1.334 -3.494 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.651 -2.007 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.116 -0.317 -1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.867 -0.407 -3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.996 -1.891 -4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.989 -3.837 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.602 -4.037 -3.295 1.00 0.00 H new ATOM 297 N ILE A 38 -4.693 0.962 -4.280 1.00 0.00 N ATOM 298 CA ILE A 38 -4.601 2.302 -4.825 1.00 0.00 C ATOM 299 C ILE A 38 -5.786 2.540 -5.753 1.00 0.00 C ATOM 300 O ILE A 38 -5.836 2.016 -6.870 1.00 0.00 O ATOM 301 CB ILE A 38 -3.271 2.528 -5.572 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.179 1.559 -5.052 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.843 3.981 -5.427 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.202 2.153 -4.063 1.00 0.00 C ATOM 0 H ILE A 38 -4.337 0.231 -4.896 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.626 3.016 -4.001 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.414 2.316 -6.632 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.668 0.704 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.619 1.178 -5.906 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.903 4.138 -5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.610 4.630 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.709 4.217 -4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.481 1.393 -3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.677 2.988 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.743 2.507 -3.185 1.00 0.00 H new ATOM 316 N ILE A 39 -6.764 3.288 -5.250 1.00 0.00 N ATOM 317 CA ILE A 39 -7.995 3.554 -5.994 1.00 0.00 C ATOM 318 C ILE A 39 -8.088 4.985 -6.509 1.00 0.00 C ATOM 319 O ILE A 39 -7.421 5.889 -6.010 1.00 0.00 O ATOM 320 CB ILE A 39 -9.227 3.291 -5.103 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.085 1.955 -4.379 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.509 3.326 -5.919 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.440 2.086 -3.021 1.00 0.00 C ATOM 0 H ILE A 39 -6.729 3.722 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.974 2.881 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.283 4.085 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.070 1.503 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.492 1.277 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.361 3.138 -5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.618 4.306 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.469 2.560 -6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.367 1.103 -2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.442 2.510 -3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.045 2.740 -2.393 1.00 0.00 H new ATOM 335 N ASP A 40 -8.963 5.175 -7.495 1.00 0.00 N ATOM 336 CA ASP A 40 -9.211 6.485 -8.072 1.00 0.00 C ATOM 337 C ASP A 40 -10.327 7.162 -7.289 1.00 0.00 C ATOM 338 O ASP A 40 -11.468 6.676 -7.275 1.00 0.00 O ATOM 339 CB ASP A 40 -9.601 6.369 -9.548 1.00 0.00 C ATOM 340 CG ASP A 40 -9.177 7.580 -10.355 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.254 8.707 -9.820 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.769 7.403 -11.522 1.00 0.00 O ATOM 0 H ASP A 40 -9.515 4.425 -7.912 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.299 7.079 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.144 5.475 -9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.681 6.243 -9.627 1.00 0.00 H new ATOM 347 N ASP A 41 -9.969 8.263 -6.626 1.00 0.00 N ATOM 348 CA ASP A 41 -10.895 9.034 -5.793 1.00 0.00 C ATOM 349 C ASP A 41 -11.570 10.163 -6.570 1.00 0.00 C ATOM 350 O ASP A 41 -12.059 11.129 -5.984 1.00 0.00 O ATOM 351 CB ASP A 41 -10.153 9.612 -4.586 1.00 0.00 C ATOM 352 CG ASP A 41 -11.040 9.725 -3.362 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.685 8.718 -3.001 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.088 10.820 -2.763 1.00 0.00 O ATOM 0 H ASP A 41 -9.024 8.647 -6.652 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.676 8.351 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.296 8.980 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.763 10.597 -4.841 1.00 0.00 H new ATOM 359 N GLU A 42 -11.642 10.003 -7.880 1.00 0.00 N ATOM 360 CA GLU A 42 -12.314 10.967 -8.748 1.00 0.00 C ATOM 361 C GLU A 42 -13.565 10.271 -9.223 1.00 0.00 C ATOM 362 O GLU A 42 -14.685 10.770 -9.111 1.00 0.00 O ATOM 363 CB GLU A 42 -11.422 11.363 -9.928 1.00 0.00 C ATOM 364 CG GLU A 42 -12.143 12.174 -10.992 1.00 0.00 C ATOM 365 CD GLU A 42 -11.189 12.952 -11.878 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.704 12.377 -12.875 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.927 14.135 -11.575 1.00 0.00 O ATOM 0 H GLU A 42 -11.240 9.207 -8.375 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.543 11.893 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.576 11.940 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.016 10.460 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.743 11.505 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.833 12.867 -10.510 1.00 0.00 H new ATOM 374 N LYS A 43 -13.327 9.049 -9.655 1.00 0.00 N ATOM 375 CA LYS A 43 -14.351 8.129 -10.059 1.00 0.00 C ATOM 376 C LYS A 43 -13.987 6.826 -9.380 1.00 0.00 C ATOM 377 O LYS A 43 -12.901 6.300 -9.614 1.00 0.00 O ATOM 378 CB LYS A 43 -14.374 7.961 -11.580 1.00 0.00 C ATOM 379 CG LYS A 43 -15.296 8.941 -12.288 1.00 0.00 C ATOM 380 CD LYS A 43 -14.545 9.781 -13.309 1.00 0.00 C ATOM 381 CE LYS A 43 -15.488 10.382 -14.339 1.00 0.00 C ATOM 382 NZ LYS A 43 -16.446 11.341 -13.723 1.00 0.00 N ATOM 0 H LYS A 43 -12.385 8.665 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.345 8.478 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.362 8.084 -11.966 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.685 6.944 -11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.097 8.393 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.766 9.595 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.006 10.579 -12.799 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.801 9.164 -13.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.908 10.892 -15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.041 9.584 -14.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.071 11.728 -14.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.018 10.849 -13.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.920 12.117 -13.273 1.00 0.00 H new ATOM 396 N GLY A 44 -14.853 6.330 -8.509 1.00 0.00 N ATOM 397 CA GLY A 44 -14.540 5.110 -7.787 1.00 0.00 C ATOM 398 C GLY A 44 -13.963 4.041 -8.689 1.00 0.00 C ATOM 399 O GLY A 44 -14.702 3.254 -9.279 1.00 0.00 O ATOM 0 H GLY A 44 -15.759 6.744 -8.289 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.829 5.333 -6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.444 4.731 -7.310 1.00 0.00 H new ATOM 403 N VAL A 45 -12.637 4.034 -8.829 1.00 0.00 N ATOM 404 CA VAL A 45 -11.990 3.066 -9.712 1.00 0.00 C ATOM 405 C VAL A 45 -10.722 2.466 -9.108 1.00 0.00 C ATOM 406 O VAL A 45 -9.714 3.148 -8.967 1.00 0.00 O ATOM 407 CB VAL A 45 -11.625 3.731 -11.055 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.869 2.763 -11.957 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.875 4.250 -11.752 1.00 0.00 C ATOM 0 H VAL A 45 -12.002 4.674 -8.353 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.708 2.260 -9.860 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.970 4.577 -10.846 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.624 3.257 -12.897 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.950 2.447 -11.463 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.491 1.891 -12.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.597 4.716 -12.698 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.556 3.421 -11.942 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.367 4.986 -11.116 1.00 0.00 H new ATOM 419 N THR A 46 -10.762 1.172 -8.798 1.00 0.00 N ATOM 420 CA THR A 46 -9.592 0.489 -8.255 1.00 0.00 C ATOM 421 C THR A 46 -8.599 0.219 -9.380 1.00 0.00 C ATOM 422 O THR A 46 -8.926 -0.462 -10.352 1.00 0.00 O ATOM 423 CB THR A 46 -9.993 -0.823 -7.576 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.156 -0.645 -6.787 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.910 -1.388 -6.678 1.00 0.00 C ATOM 0 H THR A 46 -11.585 0.580 -8.912 1.00 0.00 H new ATOM 0 HA THR A 46 -9.127 1.127 -7.504 1.00 0.00 H new ATOM 0 HB THR A 46 -10.172 -1.526 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.397 -1.495 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.259 -2.318 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.014 -1.584 -7.267 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.677 -0.669 -5.892 1.00 0.00 H new ATOM 433 N LEU A 47 -7.399 0.777 -9.265 1.00 0.00 N ATOM 434 CA LEU A 47 -6.389 0.608 -10.302 1.00 0.00 C ATOM 435 C LEU A 47 -5.353 -0.445 -9.935 1.00 0.00 C ATOM 436 O LEU A 47 -5.137 -1.396 -10.687 1.00 0.00 O ATOM 437 CB LEU A 47 -5.693 1.937 -10.589 1.00 0.00 C ATOM 438 CG LEU A 47 -6.604 3.155 -10.563 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.723 3.712 -9.153 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.096 4.217 -11.522 1.00 0.00 C ATOM 0 H LEU A 47 -7.104 1.345 -8.471 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.908 0.264 -11.197 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.898 2.080 -9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.218 1.878 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.598 2.847 -10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.379 4.582 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.138 2.949 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.737 4.004 -8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.759 5.082 -11.492 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.091 4.520 -11.230 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.074 3.813 -12.534 1.00 0.00 H new ATOM 452 N VAL A 48 -4.690 -0.267 -8.798 1.00 0.00 N ATOM 453 CA VAL A 48 -3.660 -1.205 -8.381 1.00 0.00 C ATOM 454 C VAL A 48 -3.898 -1.733 -6.968 1.00 0.00 C ATOM 455 O VAL A 48 -4.327 -1.000 -6.077 1.00 0.00 O ATOM 456 CB VAL A 48 -2.267 -0.545 -8.475 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.319 -1.091 -7.420 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.692 -0.735 -9.869 1.00 0.00 C ATOM 0 H VAL A 48 -4.846 0.510 -8.156 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.704 -2.058 -9.059 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.384 0.522 -8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.349 -0.604 -7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.727 -0.895 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.201 -2.166 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.710 -0.266 -9.924 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.598 -1.800 -10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.355 -0.276 -10.602 1.00 0.00 H new ATOM 468 N SER A 49 -3.598 -3.014 -6.781 1.00 0.00 N ATOM 469 CA SER A 49 -3.753 -3.670 -5.489 1.00 0.00 C ATOM 470 C SER A 49 -2.728 -4.792 -5.347 1.00 0.00 C ATOM 471 O SER A 49 -2.760 -5.767 -6.097 1.00 0.00 O ATOM 472 CB SER A 49 -5.170 -4.222 -5.339 1.00 0.00 C ATOM 473 OG SER A 49 -5.505 -5.075 -6.420 1.00 0.00 O ATOM 0 H SER A 49 -3.242 -3.624 -7.517 1.00 0.00 H new ATOM 0 HA SER A 49 -3.584 -2.937 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.252 -4.771 -4.401 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.881 -3.397 -5.289 1.00 0.00 H new ATOM 0 HG SER A 49 -4.699 -5.534 -6.736 1.00 0.00 H new ATOM 479 N ALA A 50 -1.810 -4.645 -4.395 1.00 0.00 N ATOM 480 CA ALA A 50 -0.771 -5.653 -4.184 1.00 0.00 C ATOM 481 C ALA A 50 -0.781 -6.192 -2.759 1.00 0.00 C ATOM 482 O ALA A 50 -1.374 -5.597 -1.859 1.00 0.00 O ATOM 483 CB ALA A 50 0.599 -5.080 -4.517 1.00 0.00 C ATOM 0 H ALA A 50 -1.763 -3.846 -3.762 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.986 -6.486 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.361 -5.842 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.618 -4.764 -5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.801 -4.223 -3.875 1.00 0.00 H new ATOM 489 N SER A 51 -0.114 -7.329 -2.567 1.00 0.00 N ATOM 490 CA SER A 51 -0.037 -7.965 -1.258 1.00 0.00 C ATOM 491 C SER A 51 1.311 -8.658 -1.063 1.00 0.00 C ATOM 492 O SER A 51 1.737 -9.462 -1.893 1.00 0.00 O ATOM 493 CB SER A 51 -1.174 -8.972 -1.099 1.00 0.00 C ATOM 494 OG SER A 51 -0.864 -10.199 -1.735 1.00 0.00 O ATOM 0 H SER A 51 0.382 -7.828 -3.306 1.00 0.00 H new ATOM 0 HA SER A 51 -0.134 -7.192 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.364 -9.146 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.090 -8.561 -1.523 1.00 0.00 H new ATOM 0 HG SER A 51 0.063 -10.179 -2.051 1.00 0.00 H new ATOM 500 N SER A 52 1.978 -8.326 0.036 1.00 0.00 N ATOM 501 CA SER A 52 3.287 -8.891 0.358 1.00 0.00 C ATOM 502 C SER A 52 3.266 -10.420 0.411 1.00 0.00 C ATOM 503 O SER A 52 4.175 -11.074 -0.098 1.00 0.00 O ATOM 504 CB SER A 52 3.783 -8.327 1.692 1.00 0.00 C ATOM 505 OG SER A 52 3.524 -9.218 2.765 1.00 0.00 O ATOM 0 H SER A 52 1.631 -7.661 0.727 1.00 0.00 H new ATOM 0 HA SER A 52 3.970 -8.606 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.854 -8.133 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.297 -7.371 1.887 1.00 0.00 H new ATOM 0 HG SER A 52 3.855 -8.828 3.601 1.00 0.00 H new ATOM 679 N GLU A 63 9.383 -6.605 6.775 1.00 0.00 N ATOM 680 CA GLU A 63 10.582 -6.874 5.991 1.00 0.00 C ATOM 681 C GLU A 63 10.381 -6.484 4.530 1.00 0.00 C ATOM 682 O GLU A 63 11.122 -5.664 3.988 1.00 0.00 O ATOM 683 CB GLU A 63 10.958 -8.355 6.090 1.00 0.00 C ATOM 684 CG GLU A 63 12.450 -8.595 6.248 1.00 0.00 C ATOM 685 CD GLU A 63 12.857 -10.003 5.864 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.103 -10.947 6.181 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.931 -10.163 5.246 1.00 0.00 O ATOM 0 HA GLU A 63 11.394 -6.271 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.436 -8.798 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.608 -8.871 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.996 -7.882 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.737 -8.407 7.283 1.00 0.00 H new ATOM 694 N VAL A 64 9.376 -7.080 3.895 1.00 0.00 N ATOM 695 CA VAL A 64 9.082 -6.797 2.495 1.00 0.00 C ATOM 696 C VAL A 64 8.024 -5.708 2.352 1.00 0.00 C ATOM 697 O VAL A 64 7.876 -5.129 1.280 1.00 0.00 O ATOM 698 CB VAL A 64 8.603 -8.062 1.752 1.00 0.00 C ATOM 699 CG1 VAL A 64 8.256 -7.746 0.301 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.657 -9.156 1.828 1.00 0.00 C ATOM 0 H VAL A 64 8.752 -7.761 4.328 1.00 0.00 H new ATOM 0 HA VAL A 64 10.013 -6.449 2.048 1.00 0.00 H new ATOM 0 HB VAL A 64 7.698 -8.421 2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.921 -8.655 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.461 -7.001 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.138 -7.356 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.302 -10.040 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.580 -8.804 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.845 -9.409 2.872 1.00 0.00 H new ATOM 710 N ALA A 65 7.284 -5.434 3.429 1.00 0.00 N ATOM 711 CA ALA A 65 6.233 -4.414 3.404 1.00 0.00 C ATOM 712 C ALA A 65 6.600 -3.253 2.489 1.00 0.00 C ATOM 713 O ALA A 65 5.769 -2.749 1.740 1.00 0.00 O ATOM 714 CB ALA A 65 5.956 -3.907 4.803 1.00 0.00 C ATOM 0 H ALA A 65 7.393 -5.903 4.328 1.00 0.00 H new ATOM 0 HA ALA A 65 5.331 -4.880 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.173 -3.150 4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.631 -4.735 5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.864 -3.470 5.218 1.00 0.00 H new ATOM 720 N ARG A 66 7.857 -2.850 2.530 1.00 0.00 N ATOM 721 CA ARG A 66 8.322 -1.773 1.675 1.00 0.00 C ATOM 722 C ARG A 66 8.290 -2.230 0.244 1.00 0.00 C ATOM 723 O ARG A 66 7.580 -1.674 -0.587 1.00 0.00 O ATOM 724 CB ARG A 66 9.731 -1.363 2.049 1.00 0.00 C ATOM 725 CG ARG A 66 9.880 0.130 2.154 1.00 0.00 C ATOM 726 CD ARG A 66 11.045 0.622 1.333 1.00 0.00 C ATOM 727 NE ARG A 66 12.292 -0.052 1.693 1.00 0.00 N ATOM 728 CZ ARG A 66 13.499 0.501 1.583 1.00 0.00 C ATOM 729 NH1 ARG A 66 13.637 1.735 1.115 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.575 -0.186 1.942 1.00 0.00 N ATOM 0 H ARG A 66 8.570 -3.249 3.141 1.00 0.00 H new ATOM 0 HA ARG A 66 7.667 -0.911 1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.000 -1.821 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.428 -1.744 1.303 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.964 0.614 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.023 0.411 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.837 0.460 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.160 1.697 1.474 1.00 0.00 H new ATOM 0 HE ARG A 66 12.234 -1.005 2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.814 2.269 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.566 2.149 1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.477 -1.136 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.500 0.235 1.859 1.00 0.00 H new ATOM 744 N GLN A 67 9.042 -3.277 -0.025 1.00 0.00 N ATOM 745 CA GLN A 67 9.081 -3.860 -1.352 1.00 0.00 C ATOM 746 C GLN A 67 7.657 -4.085 -1.856 1.00 0.00 C ATOM 747 O GLN A 67 7.415 -4.128 -3.063 1.00 0.00 O ATOM 748 CB GLN A 67 9.855 -5.178 -1.336 1.00 0.00 C ATOM 749 CG GLN A 67 11.342 -5.014 -1.602 1.00 0.00 C ATOM 750 CD GLN A 67 12.182 -6.036 -0.861 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.915 -6.814 -1.471 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.079 -6.038 0.463 1.00 0.00 N ATOM 0 H GLN A 67 9.637 -3.744 0.660 1.00 0.00 H new ATOM 0 HA GLN A 67 9.593 -3.173 -2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.719 -5.658 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.432 -5.847 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.528 -5.103 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.652 -4.011 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.459 -5.375 0.927 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.620 -6.703 1.016 1.00 0.00 H new ATOM 761 N VAL A 68 6.702 -4.200 -0.923 1.00 0.00 N ATOM 762 CA VAL A 68 5.313 -4.385 -1.315 1.00 0.00 C ATOM 763 C VAL A 68 4.730 -3.054 -1.764 1.00 0.00 C ATOM 764 O VAL A 68 3.934 -2.993 -2.700 1.00 0.00 O ATOM 765 CB VAL A 68 4.433 -5.023 -0.203 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.786 -3.990 0.719 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.359 -5.881 -0.843 1.00 0.00 C ATOM 0 H VAL A 68 6.867 -4.168 0.083 1.00 0.00 H new ATOM 0 HA VAL A 68 5.307 -5.095 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 68 5.092 -5.629 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.186 -4.500 1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.563 -3.403 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.148 -3.329 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.740 -6.330 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.737 -5.263 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.827 -6.668 -1.434 1.00 0.00 H new ATOM 777 N GLY A 69 5.163 -1.981 -1.104 1.00 0.00 N ATOM 778 CA GLY A 69 4.702 -0.661 -1.469 1.00 0.00 C ATOM 779 C GLY A 69 5.421 -0.164 -2.691 1.00 0.00 C ATOM 780 O GLY A 69 4.846 0.532 -3.508 1.00 0.00 O ATOM 0 H GLY A 69 5.823 -2.007 -0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.629 -0.685 -1.658 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.865 0.028 -0.640 1.00 0.00 H new ATOM 784 N ARG A 70 6.696 -0.526 -2.814 1.00 0.00 N ATOM 785 CA ARG A 70 7.486 -0.114 -3.960 1.00 0.00 C ATOM 786 C ARG A 70 6.900 -0.749 -5.208 1.00 0.00 C ATOM 787 O ARG A 70 6.838 -0.127 -6.267 1.00 0.00 O ATOM 788 CB ARG A 70 8.962 -0.501 -3.778 1.00 0.00 C ATOM 789 CG ARG A 70 9.299 -1.915 -4.228 1.00 0.00 C ATOM 790 CD ARG A 70 9.605 -1.972 -5.717 1.00 0.00 C ATOM 791 NE ARG A 70 10.902 -2.588 -5.987 1.00 0.00 N ATOM 792 CZ ARG A 70 12.063 -1.941 -5.907 1.00 0.00 C ATOM 793 NH1 ARG A 70 12.096 -0.661 -5.559 1.00 0.00 N ATOM 794 NH2 ARG A 70 13.196 -2.578 -6.173 1.00 0.00 N ATOM 0 H ARG A 70 7.197 -1.100 -2.136 1.00 0.00 H new ATOM 0 HA ARG A 70 7.452 0.971 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.581 0.202 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.226 -0.394 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.158 -2.281 -3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.464 -2.578 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.823 -2.536 -6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.590 -0.963 -6.129 1.00 0.00 H new ATOM 0 HE ARG A 70 10.919 -3.573 -6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.228 -0.167 -5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.989 -0.171 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.177 -3.563 -6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.086 -2.083 -6.112 1.00 0.00 H new ATOM 808 N ALA A 71 6.437 -1.987 -5.058 1.00 0.00 N ATOM 809 CA ALA A 71 5.815 -2.703 -6.156 1.00 0.00 C ATOM 810 C ALA A 71 4.507 -2.024 -6.532 1.00 0.00 C ATOM 811 O ALA A 71 4.248 -1.766 -7.703 1.00 0.00 O ATOM 812 CB ALA A 71 5.573 -4.155 -5.780 1.00 0.00 C ATOM 0 H ALA A 71 6.483 -2.511 -4.184 1.00 0.00 H new ATOM 0 HA ALA A 71 6.485 -2.685 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.106 -4.675 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.523 -4.632 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.916 -4.201 -4.912 1.00 0.00 H new ATOM 818 N LEU A 72 3.702 -1.700 -5.519 1.00 0.00 N ATOM 819 CA LEU A 72 2.436 -1.013 -5.737 1.00 0.00 C ATOM 820 C LEU A 72 2.719 0.328 -6.372 1.00 0.00 C ATOM 821 O LEU A 72 2.153 0.691 -7.401 1.00 0.00 O ATOM 822 CB LEU A 72 1.708 -0.798 -4.408 1.00 0.00 C ATOM 823 CG LEU A 72 0.668 -1.857 -4.056 1.00 0.00 C ATOM 824 CD1 LEU A 72 0.891 -2.373 -2.643 1.00 0.00 C ATOM 825 CD2 LEU A 72 -0.739 -1.298 -4.206 1.00 0.00 C ATOM 0 H LEU A 72 3.908 -1.904 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 72 1.804 -1.618 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.448 -0.760 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.217 0.175 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 72 0.779 -2.691 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.140 -3.128 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.885 -2.815 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.808 -1.547 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.466 -2.069 -3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.865 -0.445 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.896 -0.979 -5.236 1.00 0.00 H new ATOM 837 N ALA A 73 3.625 1.044 -5.733 1.00 0.00 N ATOM 838 CA ALA A 73 4.044 2.353 -6.196 1.00 0.00 C ATOM 839 C ALA A 73 4.617 2.269 -7.597 1.00 0.00 C ATOM 840 O ALA A 73 4.568 3.234 -8.355 1.00 0.00 O ATOM 841 CB ALA A 73 5.047 2.952 -5.224 1.00 0.00 C ATOM 0 H ALA A 73 4.090 0.735 -4.880 1.00 0.00 H new ATOM 0 HA ALA A 73 3.174 3.008 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.356 3.935 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.587 3.050 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.919 2.301 -5.153 1.00 0.00 H new ATOM 847 N GLU A 74 5.132 1.100 -7.945 1.00 0.00 N ATOM 848 CA GLU A 74 5.680 0.871 -9.259 1.00 0.00 C ATOM 849 C GLU A 74 4.547 0.799 -10.273 1.00 0.00 C ATOM 850 O GLU A 74 4.672 1.255 -11.410 1.00 0.00 O ATOM 851 CB GLU A 74 6.455 -0.434 -9.247 1.00 0.00 C ATOM 852 CG GLU A 74 7.342 -0.615 -10.454 1.00 0.00 C ATOM 853 CD GLU A 74 7.796 -2.049 -10.642 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.821 -2.432 -10.040 1.00 0.00 O ATOM 855 OE2 GLU A 74 7.125 -2.790 -11.392 1.00 0.00 O ATOM 0 H GLU A 74 5.179 0.292 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 74 6.349 1.686 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.067 -0.476 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.752 -1.265 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.805 -0.289 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.217 0.028 -10.356 1.00 0.00 H new ATOM 862 N LYS A 75 3.433 0.229 -9.828 1.00 0.00 N ATOM 863 CA LYS A 75 2.241 0.087 -10.652 1.00 0.00 C ATOM 864 C LYS A 75 1.492 1.399 -10.708 1.00 0.00 C ATOM 865 O LYS A 75 1.360 2.014 -11.765 1.00 0.00 O ATOM 866 CB LYS A 75 1.337 -0.980 -10.066 1.00 0.00 C ATOM 867 CG LYS A 75 2.096 -2.190 -9.592 1.00 0.00 C ATOM 868 CD LYS A 75 1.185 -3.164 -8.876 1.00 0.00 C ATOM 869 CE LYS A 75 1.729 -4.583 -8.920 1.00 0.00 C ATOM 870 NZ LYS A 75 1.736 -5.217 -7.573 1.00 0.00 N ATOM 0 H LYS A 75 3.332 -0.147 -8.885 1.00 0.00 H new ATOM 0 HA LYS A 75 2.541 -0.201 -11.659 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.777 -0.558 -9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.608 -1.285 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.564 -2.685 -10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.898 -1.880 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.064 -2.853 -7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.196 -3.140 -9.333 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.124 -5.183 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.743 -4.571 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.308 -6.085 -7.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.143 -4.556 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.762 -5.453 -7.295 1.00 0.00 H new ATOM 884 N ALA A 76 1.014 1.821 -9.544 1.00 0.00 N ATOM 885 CA ALA A 76 0.282 3.082 -9.422 1.00 0.00 C ATOM 886 C ALA A 76 0.982 4.162 -10.233 1.00 0.00 C ATOM 887 O ALA A 76 0.354 4.949 -10.939 1.00 0.00 O ATOM 888 CB ALA A 76 0.185 3.517 -7.966 1.00 0.00 C ATOM 0 H ALA A 76 1.119 1.310 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.728 2.931 -9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.364 4.457 -7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.338 2.752 -7.392 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.187 3.654 -7.560 1.00 0.00 H new ATOM 894 N LEU A 77 2.301 4.170 -10.132 1.00 0.00 N ATOM 895 CA LEU A 77 3.118 5.121 -10.858 1.00 0.00 C ATOM 896 C LEU A 77 2.896 5.011 -12.359 1.00 0.00 C ATOM 897 O LEU A 77 2.827 6.017 -13.065 1.00 0.00 O ATOM 898 CB LEU A 77 4.589 4.885 -10.544 1.00 0.00 C ATOM 899 CG LEU A 77 5.160 5.709 -9.397 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.626 5.367 -9.190 1.00 0.00 C ATOM 901 CD2 LEU A 77 4.987 7.196 -9.672 1.00 0.00 C ATOM 0 H LEU A 77 2.830 3.522 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 77 2.827 6.123 -10.541 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.727 3.829 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.171 5.093 -11.442 1.00 0.00 H new ATOM 0 HG LEU A 77 4.615 5.468 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.026 5.961 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.722 4.308 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.183 5.587 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.400 7.770 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.510 7.459 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.927 7.425 -9.779 1.00 0.00 H new ATOM 913 N ALA A 78 2.794 3.780 -12.839 1.00 0.00 N ATOM 914 CA ALA A 78 2.585 3.520 -14.256 1.00 0.00 C ATOM 915 C ALA A 78 1.424 4.344 -14.806 1.00 0.00 C ATOM 916 O ALA A 78 1.390 4.670 -15.993 1.00 0.00 O ATOM 917 CB ALA A 78 2.356 2.038 -14.471 1.00 0.00 C ATOM 0 H ALA A 78 2.853 2.940 -12.263 1.00 0.00 H new ATOM 0 HA ALA A 78 3.478 3.822 -14.803 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.200 1.844 -15.532 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.227 1.481 -14.125 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.476 1.721 -13.911 1.00 0.00 H new ATOM 923 N LEU A 79 0.494 4.709 -13.929 1.00 0.00 N ATOM 924 CA LEU A 79 -0.643 5.529 -14.318 1.00 0.00 C ATOM 925 C LEU A 79 -0.275 6.997 -14.155 1.00 0.00 C ATOM 926 O LEU A 79 -0.795 7.870 -14.850 1.00 0.00 O ATOM 927 CB LEU A 79 -1.885 5.225 -13.463 1.00 0.00 C ATOM 928 CG LEU A 79 -1.874 3.920 -12.655 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.357 4.180 -11.236 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.747 2.871 -13.329 1.00 0.00 C ATOM 0 H LEU A 79 0.508 4.448 -12.943 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.884 5.302 -15.357 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.028 6.052 -12.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.753 5.208 -14.122 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.852 3.542 -12.614 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.345 3.248 -10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.700 4.904 -10.755 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.373 4.575 -11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.729 1.952 -12.744 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.771 3.238 -13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.367 2.671 -14.331 1.00 0.00 H new ATOM 942 N GLY A 80 0.629 7.247 -13.215 1.00 0.00 N ATOM 943 CA GLY A 80 1.079 8.589 -12.932 1.00 0.00 C ATOM 944 C GLY A 80 0.663 9.043 -11.549 1.00 0.00 C ATOM 945 O GLY A 80 0.716 10.232 -11.235 1.00 0.00 O ATOM 0 H GLY A 80 1.062 6.527 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.165 8.634 -13.018 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.672 9.273 -13.677 1.00 0.00 H new ATOM 949 N ILE A 81 0.252 8.089 -10.715 1.00 0.00 N ATOM 950 CA ILE A 81 -0.166 8.397 -9.359 1.00 0.00 C ATOM 951 C ILE A 81 1.051 8.648 -8.478 1.00 0.00 C ATOM 952 O ILE A 81 1.737 7.715 -8.059 1.00 0.00 O ATOM 953 CB ILE A 81 -1.035 7.260 -8.764 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.428 7.215 -9.425 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.179 7.414 -7.252 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.685 8.297 -10.458 1.00 0.00 C ATOM 0 H ILE A 81 0.202 7.100 -10.959 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.775 9.301 -9.392 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.525 6.319 -8.972 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.556 6.243 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.186 7.291 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.793 6.603 -6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.194 7.380 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.653 8.369 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.690 8.181 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.595 9.277 -9.989 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.956 8.212 -11.263 1.00 0.00 H new ATOM 968 N LYS A 82 1.313 9.921 -8.211 1.00 0.00 N ATOM 969 CA LYS A 82 2.437 10.322 -7.398 1.00 0.00 C ATOM 970 C LYS A 82 1.974 10.782 -6.023 1.00 0.00 C ATOM 971 O LYS A 82 2.741 10.764 -5.066 1.00 0.00 O ATOM 972 CB LYS A 82 3.193 11.445 -8.100 1.00 0.00 C ATOM 973 CG LYS A 82 2.503 12.801 -8.031 1.00 0.00 C ATOM 974 CD LYS A 82 1.885 13.188 -9.368 1.00 0.00 C ATOM 975 CE LYS A 82 2.354 14.561 -9.823 1.00 0.00 C ATOM 976 NZ LYS A 82 2.506 14.635 -11.302 1.00 0.00 N ATOM 0 H LYS A 82 0.749 10.698 -8.555 1.00 0.00 H new ATOM 0 HA LYS A 82 3.098 9.466 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.185 11.532 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.334 11.174 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.728 12.776 -7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.224 13.561 -7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.149 12.445 -10.120 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.798 13.184 -9.282 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.640 15.316 -9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.307 14.795 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.827 15.587 -11.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.206 13.932 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.591 14.437 -11.755 1.00 0.00 H new ATOM 990 N GLN A 83 0.715 11.202 -5.942 1.00 0.00 N ATOM 991 CA GLN A 83 0.140 11.671 -4.691 1.00 0.00 C ATOM 992 C GLN A 83 -1.186 10.979 -4.429 1.00 0.00 C ATOM 993 O GLN A 83 -2.084 11.000 -5.271 1.00 0.00 O ATOM 994 CB GLN A 83 -0.058 13.188 -4.724 1.00 0.00 C ATOM 995 CG GLN A 83 0.538 13.892 -3.521 1.00 0.00 C ATOM 996 CD GLN A 83 -0.508 14.496 -2.608 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.429 15.175 -3.060 1.00 0.00 O ATOM 998 NE2 GLN A 83 -0.366 14.249 -1.310 1.00 0.00 N ATOM 0 H GLN A 83 0.073 11.226 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 83 0.831 11.428 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.394 13.588 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.124 13.408 -4.775 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.141 13.182 -2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.210 14.679 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.414 13.680 -0.981 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -1.037 14.628 -0.642 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.304 10.357 -3.265 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.526 9.652 -2.913 1.00 0.00 C ATOM 1009 C VAL A 84 -3.123 10.169 -1.614 1.00 0.00 C ATOM 1010 O VAL A 84 -2.464 10.856 -0.833 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.309 8.127 -2.769 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.429 7.369 -3.448 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.972 7.688 -3.334 1.00 0.00 C ATOM 0 H VAL A 84 -0.574 10.326 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.213 9.840 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.311 7.899 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.262 6.297 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.380 7.637 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.452 7.626 -4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.862 6.611 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.924 7.940 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.168 8.198 -2.803 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.372 9.797 -1.387 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.089 10.169 -0.181 1.00 0.00 C ATOM 1025 C ALA A 85 -5.328 8.920 0.650 1.00 0.00 C ATOM 1026 O ALA A 85 -6.075 8.029 0.244 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.405 10.851 -0.527 1.00 0.00 C ATOM 0 H ALA A 85 -4.917 9.228 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.495 10.879 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.927 11.122 0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.206 11.750 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.025 10.170 -1.110 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.668 8.837 1.794 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.792 7.669 2.649 1.00 0.00 C ATOM 1035 C PHE A 86 -6.055 7.722 3.499 1.00 0.00 C ATOM 1036 O PHE A 86 -6.180 8.543 4.407 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.557 7.533 3.536 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.977 6.150 3.528 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.290 5.673 2.419 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.125 5.324 4.629 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.763 4.395 2.418 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.602 4.047 4.629 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.919 3.582 3.524 1.00 0.00 C ATOM 0 H PHE A 86 -4.044 9.561 2.150 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.868 6.793 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.798 8.241 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.820 7.805 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.167 6.305 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.656 5.683 5.498 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.229 4.032 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.727 3.412 5.493 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.507 2.584 3.524 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.986 6.825 3.189 1.00 0.00 N ATOM 1054 CA ASP A 87 -8.248 6.738 3.909 1.00 0.00 C ATOM 1055 C ASP A 87 -8.446 5.330 4.462 1.00 0.00 C ATOM 1056 O ASP A 87 -9.562 4.810 4.481 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.410 7.103 2.983 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.695 7.372 3.742 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -10.623 7.965 4.840 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.772 6.991 3.240 1.00 0.00 O ATOM 0 H ASP A 87 -6.887 6.143 2.437 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.223 7.442 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.144 7.986 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.574 6.292 2.274 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.347 4.719 4.903 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.377 3.363 5.453 1.00 0.00 C ATOM 1067 C ARG A 88 -8.585 3.155 6.366 1.00 0.00 C ATOM 1068 O ARG A 88 -9.190 2.083 6.374 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.090 3.076 6.228 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.659 4.214 7.142 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.255 3.994 7.683 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.065 4.620 8.989 1.00 0.00 N ATOM 1073 CZ ARG A 88 -4.001 5.937 9.178 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -4.122 6.769 8.151 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.817 6.423 10.398 1.00 0.00 N ATOM 0 H ARG A 88 -6.420 5.144 4.890 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.459 2.670 4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.229 2.175 6.825 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.288 2.868 5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.695 5.156 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.360 4.301 7.972 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.061 2.924 7.763 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.528 4.398 6.979 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.976 4.013 9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.265 6.401 7.211 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.072 7.776 8.302 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.725 5.788 11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.768 7.431 10.543 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.929 4.186 7.132 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.062 4.094 8.035 1.00 0.00 C ATOM 1091 C GLY A 89 -9.654 4.212 9.494 1.00 0.00 C ATOM 1092 O GLY A 89 -9.002 5.184 9.877 1.00 0.00 O ATOM 0 H GLY A 89 -8.444 5.083 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.778 4.881 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.571 3.143 7.879 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.025 3.234 10.342 1.00 0.00 N ATOM 1097 CA PRO A 90 -9.683 3.255 11.767 1.00 0.00 C ATOM 1098 C PRO A 90 -8.227 2.877 12.034 1.00 0.00 C ATOM 1099 O PRO A 90 -7.788 2.844 13.184 1.00 0.00 O ATOM 1100 CB PRO A 90 -10.622 2.208 12.363 1.00 0.00 C ATOM 1101 CG PRO A 90 -10.850 1.237 11.257 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.808 2.035 9.981 1.00 0.00 C ATOM 0 HA PRO A 90 -9.793 4.251 12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.175 1.723 13.231 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.558 2.658 12.695 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.084 0.461 11.256 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.811 0.736 11.371 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.334 1.475 9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.809 2.299 9.641 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.480 2.592 10.970 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.076 2.218 11.101 1.00 0.00 C ATOM 1112 C TYR A 91 -5.280 3.318 11.796 1.00 0.00 C ATOM 1113 O TYR A 91 -5.540 4.505 11.600 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.475 1.935 9.724 1.00 0.00 C ATOM 1115 CG TYR A 91 -5.806 0.563 9.183 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.114 0.095 9.180 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -4.813 -0.262 8.668 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.423 -1.157 8.683 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.115 -1.514 8.167 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.420 -1.957 8.177 1.00 0.00 C ATOM 1121 OH TYR A 91 -6.724 -3.203 7.679 1.00 0.00 O ATOM 0 H TYR A 91 -7.824 2.613 10.010 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.022 1.316 11.710 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.831 2.688 9.021 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.392 2.040 9.782 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.902 0.720 9.573 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.789 0.081 8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.445 -1.507 8.691 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.332 -2.143 7.769 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.358 -3.113 6.937 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.309 2.914 12.608 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.471 3.861 13.333 1.00 0.00 C ATOM 1133 C LYS A 92 -1.996 3.502 13.183 1.00 0.00 C ATOM 1134 O LYS A 92 -1.543 2.500 13.735 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.855 3.881 14.814 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.755 5.258 15.453 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.714 5.289 16.563 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.472 6.059 16.143 1.00 0.00 C ATOM 1139 NZ LYS A 92 -1.514 7.474 16.606 1.00 0.00 N ATOM 0 H LYS A 92 -4.083 1.934 12.781 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.631 4.853 12.910 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.876 3.514 14.921 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.210 3.190 15.357 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.498 5.995 14.692 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.726 5.543 15.857 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.144 5.748 17.453 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.437 4.270 16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.587 5.570 16.549 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.379 6.035 15.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.650 7.965 16.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.345 7.948 16.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.577 7.498 17.644 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.260 4.330 12.429 1.00 0.00 N ATOM 1154 CA TYR A 93 0.178 4.128 12.180 1.00 0.00 C ATOM 1155 C TYR A 93 0.712 2.876 12.876 1.00 0.00 C ATOM 1156 O TYR A 93 0.875 2.855 14.096 1.00 0.00 O ATOM 1157 CB TYR A 93 0.962 5.359 12.643 1.00 0.00 C ATOM 1158 CG TYR A 93 2.230 5.622 11.856 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.281 5.408 10.482 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.375 6.090 12.488 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.437 5.652 9.764 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.534 6.338 11.776 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.560 6.117 10.416 1.00 0.00 C ATOM 1164 OH TYR A 93 5.712 6.363 9.704 1.00 0.00 O ATOM 0 H TYR A 93 -1.642 5.159 11.974 1.00 0.00 H new ATOM 0 HA TYR A 93 0.311 3.987 11.107 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.316 6.234 12.573 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.220 5.237 13.695 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.403 5.045 9.968 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.360 6.263 13.554 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.461 5.479 8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.415 6.703 12.283 1.00 0.00 H new ATOM 0 HH TYR A 93 6.409 6.687 10.312 1.00 0.00 H new ATOM 1174 N HIS A 94 0.963 1.829 12.095 1.00 0.00 N ATOM 1175 CA HIS A 94 1.455 0.571 12.644 1.00 0.00 C ATOM 1176 C HIS A 94 2.666 0.059 11.869 1.00 0.00 C ATOM 1177 O HIS A 94 3.049 0.630 10.848 1.00 0.00 O ATOM 1178 CB HIS A 94 0.344 -0.492 12.660 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.745 -0.296 11.656 1.00 0.00 C ATOM 1180 ND1 HIS A 94 -1.326 -1.344 10.982 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -1.388 0.819 11.240 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -2.276 -0.885 10.197 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -2.334 0.428 10.333 1.00 0.00 N ATOM 0 H HIS A 94 0.834 1.827 11.083 1.00 0.00 H new ATOM 0 HA HIS A 94 1.768 0.764 13.670 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.797 -1.469 12.493 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.101 -0.513 13.655 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.061 -2.325 11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.191 1.830 11.564 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.903 -1.481 9.550 1.00 0.00 H new ATOM 1192 N GLY A 95 3.271 -1.016 12.380 1.00 0.00 N ATOM 1193 CA GLY A 95 4.450 -1.604 11.754 1.00 0.00 C ATOM 1194 C GLY A 95 4.421 -1.563 10.237 1.00 0.00 C ATOM 1195 O GLY A 95 5.211 -0.853 9.616 1.00 0.00 O ATOM 0 H GLY A 95 2.961 -1.495 13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.337 -1.078 12.106 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.544 -2.640 12.079 1.00 0.00 H new ATOM 1199 N ARG A 96 3.510 -2.326 9.639 1.00 0.00 N ATOM 1200 CA ARG A 96 3.385 -2.373 8.184 1.00 0.00 C ATOM 1201 C ARG A 96 3.379 -0.963 7.591 1.00 0.00 C ATOM 1202 O ARG A 96 4.308 -0.578 6.881 1.00 0.00 O ATOM 1203 CB ARG A 96 2.107 -3.111 7.790 1.00 0.00 C ATOM 1204 CG ARG A 96 2.026 -4.535 8.323 1.00 0.00 C ATOM 1205 CD ARG A 96 2.962 -5.468 7.572 1.00 0.00 C ATOM 1206 NE ARG A 96 2.258 -6.628 7.029 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.678 -7.562 7.780 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.718 -7.478 9.104 1.00 0.00 N ATOM 1209 NH2 ARG A 96 1.056 -8.583 7.205 1.00 0.00 N ATOM 0 H ARG A 96 2.848 -2.920 10.138 1.00 0.00 H new ATOM 0 HA ARG A 96 4.246 -2.910 7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.247 -2.548 8.154 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.034 -3.136 6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.278 -4.542 9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.002 -4.899 8.236 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.443 -4.923 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.753 -5.805 8.242 1.00 0.00 H new ATOM 0 HE ARG A 96 2.208 -6.728 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 96 2.195 -6.695 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.272 -8.196 9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.022 -8.652 6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.612 -9.299 7.780 1.00 0.00 H new ATOM 1223 N VAL A 97 2.325 -0.201 7.898 1.00 0.00 N ATOM 1224 CA VAL A 97 2.169 1.177 7.421 1.00 0.00 C ATOM 1225 C VAL A 97 3.510 1.861 7.206 1.00 0.00 C ATOM 1226 O VAL A 97 3.724 2.517 6.194 1.00 0.00 O ATOM 1227 CB VAL A 97 1.354 2.012 8.428 1.00 0.00 C ATOM 1228 CG1 VAL A 97 1.207 3.452 7.963 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.003 1.383 8.649 1.00 0.00 C ATOM 0 H VAL A 97 1.555 -0.522 8.485 1.00 0.00 H new ATOM 0 HA VAL A 97 1.645 1.118 6.467 1.00 0.00 H new ATOM 0 HB VAL A 97 1.895 2.024 9.374 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.627 4.014 8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.194 3.903 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.694 3.473 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.570 1.982 9.362 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.542 1.339 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.123 0.374 9.042 1.00 0.00 H new ATOM 1239 N LYS A 98 4.407 1.708 8.164 1.00 0.00 N ATOM 1240 CA LYS A 98 5.720 2.319 8.067 1.00 0.00 C ATOM 1241 C LYS A 98 6.443 1.865 6.803 1.00 0.00 C ATOM 1242 O LYS A 98 6.504 2.597 5.817 1.00 0.00 O ATOM 1243 CB LYS A 98 6.549 1.980 9.302 1.00 0.00 C ATOM 1244 CG LYS A 98 6.852 3.189 10.166 1.00 0.00 C ATOM 1245 CD LYS A 98 6.269 3.045 11.560 1.00 0.00 C ATOM 1246 CE LYS A 98 4.757 2.911 11.515 1.00 0.00 C ATOM 1247 NZ LYS A 98 4.222 2.294 12.759 1.00 0.00 N ATOM 0 H LYS A 98 4.251 1.168 9.015 1.00 0.00 H new ATOM 0 HA LYS A 98 5.590 3.400 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.016 1.240 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.487 1.521 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.931 3.325 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.448 4.084 9.693 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.699 2.170 12.048 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.542 3.912 12.162 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.309 3.894 11.375 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.471 2.305 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.185 2.372 12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.494 1.291 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.613 2.787 13.587 1.00 0.00 H new ATOM 1261 N ALA A 99 6.989 0.656 6.844 1.00 0.00 N ATOM 1262 CA ALA A 99 7.717 0.102 5.709 1.00 0.00 C ATOM 1263 C ALA A 99 6.851 0.028 4.452 1.00 0.00 C ATOM 1264 O ALA A 99 7.334 0.259 3.346 1.00 0.00 O ATOM 1265 CB ALA A 99 8.251 -1.280 6.058 1.00 0.00 C ATOM 0 H ALA A 99 6.941 0.038 7.654 1.00 0.00 H new ATOM 0 HA ALA A 99 8.549 0.772 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.794 -1.687 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.923 -1.205 6.913 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.419 -1.939 6.307 1.00 0.00 H new ATOM 1271 N LEU A 100 5.574 -0.300 4.627 1.00 0.00 N ATOM 1272 CA LEU A 100 4.653 -0.418 3.516 1.00 0.00 C ATOM 1273 C LEU A 100 4.447 0.915 2.831 1.00 0.00 C ATOM 1274 O LEU A 100 4.482 1.018 1.604 1.00 0.00 O ATOM 1275 CB LEU A 100 3.305 -0.939 4.017 1.00 0.00 C ATOM 1276 CG LEU A 100 2.179 -0.880 2.989 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.234 -2.057 3.162 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.414 0.439 3.082 1.00 0.00 C ATOM 0 H LEU A 100 5.157 -0.489 5.538 1.00 0.00 H new ATOM 0 HA LEU A 100 5.081 -1.116 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.428 -1.972 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.010 -0.361 4.893 1.00 0.00 H new ATOM 0 HG LEU A 100 2.629 -0.938 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.438 -1.997 2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.785 -2.988 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.800 -2.032 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.618 0.451 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.981 0.539 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.096 1.269 2.898 1.00 0.00 H new ATOM 1290 N ALA A 101 4.200 1.926 3.637 1.00 0.00 N ATOM 1291 CA ALA A 101 3.946 3.258 3.120 1.00 0.00 C ATOM 1292 C ALA A 101 5.168 3.832 2.421 1.00 0.00 C ATOM 1293 O ALA A 101 5.029 4.577 1.449 1.00 0.00 O ATOM 1294 CB ALA A 101 3.452 4.167 4.224 1.00 0.00 C ATOM 0 H ALA A 101 4.169 1.853 4.654 1.00 0.00 H new ATOM 0 HA ALA A 101 3.161 3.185 2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.266 5.162 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.528 3.766 4.640 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.206 4.229 5.009 1.00 0.00 H new ATOM 1300 N GLU A 102 6.368 3.467 2.874 1.00 0.00 N ATOM 1301 CA GLU A 102 7.568 3.956 2.207 1.00 0.00 C ATOM 1302 C GLU A 102 7.615 3.353 0.818 1.00 0.00 C ATOM 1303 O GLU A 102 7.816 4.054 -0.156 1.00 0.00 O ATOM 1304 CB GLU A 102 8.870 3.640 2.962 1.00 0.00 C ATOM 1305 CG GLU A 102 8.681 3.091 4.368 1.00 0.00 C ATOM 1306 CD GLU A 102 9.998 2.808 5.065 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.509 1.677 4.933 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.517 3.719 5.744 1.00 0.00 O ATOM 0 H GLU A 102 6.530 2.855 3.673 1.00 0.00 H new ATOM 0 HA GLU A 102 7.505 5.044 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.443 2.918 2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.468 4.549 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.107 3.805 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.095 2.173 4.320 1.00 0.00 H new ATOM 1315 N GLY A 103 7.374 2.050 0.724 1.00 0.00 N ATOM 1316 CA GLY A 103 7.354 1.402 -0.575 1.00 0.00 C ATOM 1317 C GLY A 103 6.526 2.190 -1.558 1.00 0.00 C ATOM 1318 O GLY A 103 6.996 2.622 -2.609 1.00 0.00 O ATOM 0 H GLY A 103 7.193 1.435 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.372 1.300 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.948 0.395 -0.477 1.00 0.00 H new ATOM 1322 N ALA A 104 5.262 2.347 -1.183 1.00 0.00 N ATOM 1323 CA ALA A 104 4.284 3.059 -1.983 1.00 0.00 C ATOM 1324 C ALA A 104 4.728 4.488 -2.261 1.00 0.00 C ATOM 1325 O ALA A 104 4.608 4.975 -3.383 1.00 0.00 O ATOM 1326 CB ALA A 104 2.939 3.042 -1.281 1.00 0.00 C ATOM 0 H ALA A 104 4.888 1.979 -0.308 1.00 0.00 H new ATOM 0 HA ALA A 104 4.192 2.554 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.207 3.578 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.613 2.011 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.030 3.525 -0.308 1.00 0.00 H new ATOM 1332 N ARG A 105 5.255 5.165 -1.248 1.00 0.00 N ATOM 1333 CA ARG A 105 5.715 6.534 -1.433 1.00 0.00 C ATOM 1334 C ARG A 105 7.103 6.545 -2.063 1.00 0.00 C ATOM 1335 O ARG A 105 7.344 7.244 -3.048 1.00 0.00 O ATOM 1336 CB ARG A 105 5.698 7.304 -0.109 1.00 0.00 C ATOM 1337 CG ARG A 105 6.362 8.670 -0.180 1.00 0.00 C ATOM 1338 CD ARG A 105 5.429 9.774 0.300 1.00 0.00 C ATOM 1339 NE ARG A 105 5.728 10.184 1.671 1.00 0.00 N ATOM 1340 CZ ARG A 105 5.372 11.357 2.191 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.701 12.239 1.461 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.688 11.647 3.446 1.00 0.00 N ATOM 0 H ARG A 105 5.373 4.795 -0.305 1.00 0.00 H new ATOM 0 HA ARG A 105 5.029 7.040 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.664 7.430 0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.199 6.707 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.266 8.667 0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.669 8.873 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.514 10.635 -0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.397 9.428 0.242 1.00 0.00 H new ATOM 0 HE ARG A 105 6.240 9.532 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.455 12.020 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.431 13.136 1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.203 10.972 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.416 12.545 3.846 1.00 0.00 H new ATOM 1356 N GLU A 106 8.001 5.740 -1.510 1.00 0.00 N ATOM 1357 CA GLU A 106 9.355 5.622 -2.032 1.00 0.00 C ATOM 1358 C GLU A 106 9.279 5.306 -3.521 1.00 0.00 C ATOM 1359 O GLU A 106 9.999 5.884 -4.336 1.00 0.00 O ATOM 1360 CB GLU A 106 10.122 4.510 -1.287 1.00 0.00 C ATOM 1361 CG GLU A 106 10.010 3.135 -1.926 1.00 0.00 C ATOM 1362 CD GLU A 106 11.007 2.145 -1.361 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.791 2.534 -0.471 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.007 0.981 -1.813 1.00 0.00 O ATOM 0 H GLU A 106 7.814 5.156 -0.695 1.00 0.00 H new ATOM 0 HA GLU A 106 9.889 6.560 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.175 4.787 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.752 4.453 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.000 2.752 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.163 3.225 -3.001 1.00 0.00 H new ATOM 1371 N GLY A 107 8.375 4.385 -3.859 1.00 0.00 N ATOM 1372 CA GLY A 107 8.184 4.002 -5.241 1.00 0.00 C ATOM 1373 C GLY A 107 7.748 5.189 -6.085 1.00 0.00 C ATOM 1374 O GLY A 107 8.327 5.444 -7.140 1.00 0.00 O ATOM 0 H GLY A 107 7.773 3.899 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.112 3.591 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.434 3.214 -5.302 1.00 0.00 H new ATOM 1378 N GLY A 108 6.742 5.939 -5.611 1.00 0.00 N ATOM 1379 CA GLY A 108 6.286 7.108 -6.352 1.00 0.00 C ATOM 1380 C GLY A 108 5.111 7.846 -5.715 1.00 0.00 C ATOM 1381 O GLY A 108 4.939 9.044 -5.939 1.00 0.00 O ATOM 0 H GLY A 108 6.244 5.758 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.120 7.802 -6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.001 6.796 -7.357 1.00 0.00 H new ATOM 1385 N LEU A 109 4.280 7.134 -4.958 1.00 0.00 N ATOM 1386 CA LEU A 109 3.098 7.729 -4.338 1.00 0.00 C ATOM 1387 C LEU A 109 3.422 8.671 -3.185 1.00 0.00 C ATOM 1388 O LEU A 109 4.402 8.509 -2.471 1.00 0.00 O ATOM 1389 CB LEU A 109 2.171 6.624 -3.848 1.00 0.00 C ATOM 1390 CG LEU A 109 1.450 5.891 -4.964 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.454 5.250 -5.898 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.489 4.858 -4.403 1.00 0.00 C ATOM 0 H LEU A 109 4.404 6.141 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 109 2.613 8.333 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.751 5.905 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.432 7.055 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 109 0.862 6.613 -5.531 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.927 4.726 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.092 6.021 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.067 4.541 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.015 4.347 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.042 4.132 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.251 5.353 -3.775 1.00 0.00 H new ATOM 1404 N GLU A 110 2.562 9.659 -3.015 1.00 0.00 N ATOM 1405 CA GLU A 110 2.706 10.638 -1.948 1.00 0.00 C ATOM 1406 C GLU A 110 1.398 10.763 -1.171 1.00 0.00 C ATOM 1407 O GLU A 110 0.518 11.541 -1.541 1.00 0.00 O ATOM 1408 CB GLU A 110 3.143 11.985 -2.519 1.00 0.00 C ATOM 1409 CG GLU A 110 4.625 12.037 -2.852 1.00 0.00 C ATOM 1410 CD GLU A 110 4.886 12.279 -4.326 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.027 12.898 -4.987 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.950 11.848 -4.818 1.00 0.00 O ATOM 0 H GLU A 110 1.746 9.807 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 110 3.479 10.302 -1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.566 12.196 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.910 12.771 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.096 12.828 -2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.093 11.099 -2.554 1.00 0.00 H new ATOM 1419 N PHE A 111 1.267 9.978 -0.109 1.00 0.00 N ATOM 1420 CA PHE A 111 0.055 9.981 0.708 1.00 0.00 C ATOM 1421 C PHE A 111 0.382 10.261 2.171 1.00 0.00 C ATOM 1422 O PHE A 111 -0.166 11.238 2.723 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.659 8.630 0.576 1.00 0.00 C ATOM 1424 CG PHE A 111 0.292 7.472 0.597 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.059 7.179 -0.516 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.444 6.699 1.735 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.963 6.139 -0.496 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.342 5.651 1.760 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.105 5.373 0.643 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.183 9.500 2.753 1.00 0.00 O ATOM 0 H PHE A 111 1.986 9.328 0.209 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.601 10.775 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.376 8.521 1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.227 8.612 -0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.948 7.772 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.146 6.918 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.559 5.924 -1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.448 5.050 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.812 4.557 0.661 1.00 0.00 H new