USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= -2.62! C(o=-2.1!,f=-5.8!) USER MOD Set 1.2: A 92 SER OG : rot 133:sc= 0.531 USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -48:sc= 0.937 USER MOD Single : A 39 SER OG : rot 14:sc= 0.295 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 138:sc= -2.17! (180deg=-5.12!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 MET CE :methyl -113:sc= -1.31 (180deg=-5.3!) USER MOD Single : A 74 ASN : amide:sc= -0.558 X(o=-0.56,f=-0.48) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc=-0.00459 (180deg=-0.121) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -140:sc= 0 USER MOD Single : A 94 SER OG : rot 24:sc= 1.15 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.0231 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -133:sc= 0.264 (180deg=-0.279) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -44:sc= 0.881 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 160:sc= -0.0087 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 -2.394 8.690 23.342 1.00 0.00 N ATOM 2 CA GLY A 37 -2.702 9.659 22.307 1.00 0.00 C ATOM 3 C GLY A 37 -1.859 10.915 22.420 1.00 0.00 C ATOM 4 O GLY A 37 -0.899 10.959 23.189 1.00 0.00 O ATOM 0 HA2 GLY A 37 -2.543 9.205 21.329 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.757 9.926 22.366 1.00 0.00 H new ATOM 8 N SER A 38 -2.218 11.937 21.650 1.00 0.00 N ATOM 9 CA SER A 38 -1.484 13.198 21.663 1.00 0.00 C ATOM 10 C SER A 38 0.007 12.961 21.446 1.00 0.00 C ATOM 11 O SER A 38 0.847 13.614 22.063 1.00 0.00 O ATOM 12 CB SER A 38 -1.708 13.929 22.988 1.00 0.00 C ATOM 13 OG SER A 38 -0.854 13.424 24.000 1.00 0.00 O ATOM 0 H SER A 38 -3.012 11.917 21.010 1.00 0.00 H new ATOM 0 HA SER A 38 -1.858 13.816 20.847 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.527 14.995 22.854 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.748 13.819 23.297 1.00 0.00 H new ATOM 0 HG SER A 38 -0.896 12.445 24.005 1.00 0.00 H new ATOM 19 N SER A 39 0.328 12.020 20.563 1.00 0.00 N ATOM 20 CA SER A 39 1.717 11.693 20.265 1.00 0.00 C ATOM 21 C SER A 39 1.865 11.207 18.827 1.00 0.00 C ATOM 22 O SER A 39 1.265 10.207 18.433 1.00 0.00 O ATOM 23 CB SER A 39 2.230 10.624 21.232 1.00 0.00 C ATOM 24 OG SER A 39 2.547 11.187 22.493 1.00 0.00 O ATOM 0 H SER A 39 -0.356 11.471 20.042 1.00 0.00 H new ATOM 0 HA SER A 39 2.311 12.599 20.387 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.474 9.849 21.356 1.00 0.00 H new ATOM 0 HB3 SER A 39 3.114 10.143 20.812 1.00 0.00 H new ATOM 0 HG SER A 39 2.174 12.091 22.551 1.00 0.00 H new ATOM 30 N GLY A 40 2.668 11.923 18.046 1.00 0.00 N ATOM 31 CA GLY A 40 2.881 11.550 16.659 1.00 0.00 C ATOM 32 C GLY A 40 3.782 12.526 15.928 1.00 0.00 C ATOM 33 O GLY A 40 3.447 12.995 14.841 1.00 0.00 O ATOM 0 H GLY A 40 3.175 12.755 18.349 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.321 10.553 16.617 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.919 11.496 16.149 1.00 0.00 H new ATOM 37 N SER A 41 4.928 12.833 16.527 1.00 0.00 N ATOM 38 CA SER A 41 5.878 13.763 15.928 1.00 0.00 C ATOM 39 C SER A 41 6.470 13.186 14.646 1.00 0.00 C ATOM 40 O SER A 41 6.278 12.010 14.336 1.00 0.00 O ATOM 41 CB SER A 41 6.997 14.090 16.919 1.00 0.00 C ATOM 42 OG SER A 41 6.638 15.176 17.754 1.00 0.00 O ATOM 0 H SER A 41 5.221 12.451 17.426 1.00 0.00 H new ATOM 0 HA SER A 41 5.343 14.680 15.679 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.213 13.214 17.530 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.910 14.332 16.375 1.00 0.00 H new ATOM 0 HG SER A 41 7.369 15.364 18.379 1.00 0.00 H new ATOM 48 N SER A 42 7.190 14.022 13.906 1.00 0.00 N ATOM 49 CA SER A 42 7.807 13.597 12.655 1.00 0.00 C ATOM 50 C SER A 42 9.321 13.477 12.809 1.00 0.00 C ATOM 51 O SER A 42 9.885 13.870 13.829 1.00 0.00 O ATOM 52 CB SER A 42 7.474 14.585 11.535 1.00 0.00 C ATOM 53 OG SER A 42 8.048 15.855 11.789 1.00 0.00 O ATOM 0 H SER A 42 7.361 14.997 14.151 1.00 0.00 H new ATOM 0 HA SER A 42 7.406 12.617 12.396 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.842 14.200 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.392 14.683 11.442 1.00 0.00 H new ATOM 0 HG SER A 42 7.822 16.468 11.058 1.00 0.00 H new ATOM 59 N GLY A 43 9.972 12.931 11.787 1.00 0.00 N ATOM 60 CA GLY A 43 11.414 12.769 11.827 1.00 0.00 C ATOM 61 C GLY A 43 11.890 11.602 10.985 1.00 0.00 C ATOM 62 O GLY A 43 12.089 11.741 9.778 1.00 0.00 O ATOM 0 H GLY A 43 9.527 12.598 10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.889 13.685 11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.731 12.622 12.859 1.00 0.00 H new ATOM 66 N GLN A 44 12.075 10.451 11.622 1.00 0.00 N ATOM 67 CA GLN A 44 12.533 9.256 10.922 1.00 0.00 C ATOM 68 C GLN A 44 11.590 8.900 9.778 1.00 0.00 C ATOM 69 O GLN A 44 12.002 8.821 8.620 1.00 0.00 O ATOM 70 CB GLN A 44 12.642 8.080 11.894 1.00 0.00 C ATOM 71 CG GLN A 44 13.827 8.181 12.841 1.00 0.00 C ATOM 72 CD GLN A 44 14.323 6.825 13.302 1.00 0.00 C ATOM 73 OE1 GLN A 44 14.970 6.098 12.548 1.00 0.00 O ATOM 74 NE2 GLN A 44 14.022 6.477 14.548 1.00 0.00 N ATOM 0 H GLN A 44 11.915 10.320 12.621 1.00 0.00 H new ATOM 0 HA GLN A 44 13.518 9.465 10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.724 8.017 12.479 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.721 7.154 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.640 8.711 12.345 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.543 8.774 13.710 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.483 7.111 15.139 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.329 5.576 14.914 1.00 0.00 H new ATOM 83 N LYS A 45 10.321 8.684 10.109 1.00 0.00 N ATOM 84 CA LYS A 45 9.318 8.337 9.110 1.00 0.00 C ATOM 85 C LYS A 45 9.528 9.134 7.827 1.00 0.00 C ATOM 86 O LYS A 45 9.450 8.590 6.726 1.00 0.00 O ATOM 87 CB LYS A 45 7.912 8.594 9.658 1.00 0.00 C ATOM 88 CG LYS A 45 7.619 7.854 10.951 1.00 0.00 C ATOM 89 CD LYS A 45 7.555 6.351 10.732 1.00 0.00 C ATOM 90 CE LYS A 45 7.951 5.587 11.986 1.00 0.00 C ATOM 91 NZ LYS A 45 9.426 5.406 12.083 1.00 0.00 N ATOM 0 H LYS A 45 9.963 8.743 11.062 1.00 0.00 H new ATOM 0 HA LYS A 45 9.424 7.277 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.786 9.664 9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.179 8.300 8.907 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.391 8.083 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.673 8.203 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.545 6.068 10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.217 6.073 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.592 6.122 12.865 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.465 4.611 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.655 4.881 12.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.766 4.874 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.889 6.337 12.109 1.00 0.00 H new ATOM 105 N VAL A 46 9.797 10.428 7.977 1.00 0.00 N ATOM 106 CA VAL A 46 10.022 11.299 6.830 1.00 0.00 C ATOM 107 C VAL A 46 10.741 10.558 5.708 1.00 0.00 C ATOM 108 O VAL A 46 10.175 10.329 4.640 1.00 0.00 O ATOM 109 CB VAL A 46 10.846 12.541 7.221 1.00 0.00 C ATOM 110 CG1 VAL A 46 11.139 13.395 5.997 1.00 0.00 C ATOM 111 CG2 VAL A 46 10.117 13.350 8.284 1.00 0.00 C ATOM 0 H VAL A 46 9.864 10.895 8.881 1.00 0.00 H new ATOM 0 HA VAL A 46 9.041 11.619 6.479 1.00 0.00 H new ATOM 0 HB VAL A 46 11.797 12.209 7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.722 14.267 6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.705 12.810 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.201 13.721 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.713 14.224 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.151 13.674 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.964 12.733 9.170 1.00 0.00 H new ATOM 121 N GLU A 47 11.992 10.186 5.960 1.00 0.00 N ATOM 122 CA GLU A 47 12.789 9.470 4.971 1.00 0.00 C ATOM 123 C GLU A 47 11.922 8.502 4.170 1.00 0.00 C ATOM 124 O GLU A 47 11.847 8.587 2.945 1.00 0.00 O ATOM 125 CB GLU A 47 13.927 8.708 5.654 1.00 0.00 C ATOM 126 CG GLU A 47 15.037 9.607 6.171 1.00 0.00 C ATOM 127 CD GLU A 47 15.804 8.984 7.321 1.00 0.00 C ATOM 128 OE1 GLU A 47 15.797 7.740 7.435 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.412 9.740 8.107 1.00 0.00 O ATOM 0 H GLU A 47 12.475 10.368 6.840 1.00 0.00 H new ATOM 0 HA GLU A 47 13.213 10.203 4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.520 8.133 6.486 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.349 7.993 4.948 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.727 9.830 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.610 10.556 6.496 1.00 0.00 H new ATOM 136 N PHE A 48 11.270 7.582 4.873 1.00 0.00 N ATOM 137 CA PHE A 48 10.410 6.596 4.229 1.00 0.00 C ATOM 138 C PHE A 48 9.357 7.278 3.360 1.00 0.00 C ATOM 139 O PHE A 48 9.096 6.853 2.235 1.00 0.00 O ATOM 140 CB PHE A 48 9.728 5.719 5.281 1.00 0.00 C ATOM 141 CG PHE A 48 8.779 4.711 4.698 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.256 3.554 4.103 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.411 4.921 4.744 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.385 2.626 3.565 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.535 3.996 4.208 1.00 0.00 C ATOM 146 CZ PHE A 48 7.023 2.846 3.618 1.00 0.00 C ATOM 0 H PHE A 48 11.321 7.499 5.888 1.00 0.00 H new ATOM 0 HA PHE A 48 11.033 5.969 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.492 5.196 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.184 6.357 5.978 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.320 3.376 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.024 5.818 5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.770 1.729 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.470 4.172 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.341 2.121 3.199 1.00 0.00 H new ATOM 156 N ARG A 49 8.757 8.338 3.891 1.00 0.00 N ATOM 157 CA ARG A 49 7.732 9.079 3.165 1.00 0.00 C ATOM 158 C ARG A 49 8.198 9.408 1.750 1.00 0.00 C ATOM 159 O ARG A 49 7.497 9.138 0.775 1.00 0.00 O ATOM 160 CB ARG A 49 7.379 10.367 3.910 1.00 0.00 C ATOM 161 CG ARG A 49 6.068 10.991 3.462 1.00 0.00 C ATOM 162 CD ARG A 49 5.397 11.751 4.595 1.00 0.00 C ATOM 163 NE ARG A 49 4.532 12.819 4.100 1.00 0.00 N ATOM 164 CZ ARG A 49 4.978 14.015 3.730 1.00 0.00 C ATOM 165 NH1 ARG A 49 6.272 14.293 3.798 1.00 0.00 N ATOM 166 NH2 ARG A 49 4.128 14.934 3.291 1.00 0.00 N ATOM 0 H ARG A 49 8.963 8.703 4.821 1.00 0.00 H new ATOM 0 HA ARG A 49 6.844 8.451 3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.324 10.155 4.978 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.182 11.090 3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.252 11.668 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.398 10.212 3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.810 11.059 5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.159 12.175 5.248 1.00 0.00 H new ATOM 0 HE ARG A 49 3.531 12.637 4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.928 13.588 4.135 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.612 15.212 3.513 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.132 14.723 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.471 15.852 3.007 1.00 0.00 H new ATOM 180 N LYS A 50 9.386 9.993 1.645 1.00 0.00 N ATOM 181 CA LYS A 50 9.948 10.359 0.351 1.00 0.00 C ATOM 182 C LYS A 50 10.114 9.130 -0.537 1.00 0.00 C ATOM 183 O LYS A 50 9.716 9.136 -1.702 1.00 0.00 O ATOM 184 CB LYS A 50 11.298 11.055 0.536 1.00 0.00 C ATOM 185 CG LYS A 50 11.218 12.332 1.353 1.00 0.00 C ATOM 186 CD LYS A 50 12.596 12.924 1.600 1.00 0.00 C ATOM 187 CE LYS A 50 13.372 12.119 2.631 1.00 0.00 C ATOM 188 NZ LYS A 50 14.828 12.431 2.597 1.00 0.00 N ATOM 0 H LYS A 50 9.979 10.224 2.442 1.00 0.00 H new ATOM 0 HA LYS A 50 9.256 11.046 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.989 10.366 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.715 11.286 -0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.596 13.060 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.734 12.125 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.154 12.952 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.495 13.954 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.979 12.328 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.224 11.055 2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.322 11.862 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.209 12.208 1.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.971 13.441 2.798 1.00 0.00 H new ATOM 202 N ARG A 51 10.703 8.078 0.021 1.00 0.00 N ATOM 203 CA ARG A 51 10.921 6.842 -0.721 1.00 0.00 C ATOM 204 C ARG A 51 9.616 6.333 -1.325 1.00 0.00 C ATOM 205 O ARG A 51 9.591 5.856 -2.460 1.00 0.00 O ATOM 206 CB ARG A 51 11.523 5.773 0.193 1.00 0.00 C ATOM 207 CG ARG A 51 12.101 4.584 -0.557 1.00 0.00 C ATOM 208 CD ARG A 51 12.478 3.457 0.390 1.00 0.00 C ATOM 209 NE ARG A 51 13.864 3.559 0.840 1.00 0.00 N ATOM 210 CZ ARG A 51 14.903 3.161 0.114 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.714 2.638 -1.089 1.00 0.00 N ATOM 212 NH2 ARG A 51 16.134 3.288 0.592 1.00 0.00 N ATOM 0 H ARG A 51 11.038 8.057 0.984 1.00 0.00 H new ATOM 0 HA ARG A 51 11.619 7.053 -1.531 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.308 6.226 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.754 5.419 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.373 4.222 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.981 4.899 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.814 3.473 1.255 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.329 2.499 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 51 14.044 3.957 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.769 2.540 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.514 2.333 -1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.283 3.691 1.517 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.932 2.982 0.035 1.00 0.00 H new ATOM 226 N MET A 52 8.535 6.437 -0.559 1.00 0.00 N ATOM 227 CA MET A 52 7.226 5.988 -1.020 1.00 0.00 C ATOM 228 C MET A 52 6.721 6.866 -2.161 1.00 0.00 C ATOM 229 O MET A 52 6.102 6.376 -3.105 1.00 0.00 O ATOM 230 CB MET A 52 6.223 6.003 0.134 1.00 0.00 C ATOM 231 CG MET A 52 6.521 4.974 1.212 1.00 0.00 C ATOM 232 SD MET A 52 6.619 3.295 0.562 1.00 0.00 S ATOM 233 CE MET A 52 8.329 3.238 0.029 1.00 0.00 C ATOM 0 H MET A 52 8.539 6.828 0.383 1.00 0.00 H new ATOM 0 HA MET A 52 7.328 4.967 -1.389 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.214 6.996 0.584 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.223 5.823 -0.262 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.463 5.226 1.699 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.745 5.019 1.976 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.764 2.278 0.305 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.377 3.361 -1.053 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.887 4.041 0.510 1.00 0.00 H new ATOM 243 N GLU A 53 6.988 8.165 -2.065 1.00 0.00 N ATOM 244 CA GLU A 53 6.558 9.109 -3.089 1.00 0.00 C ATOM 245 C GLU A 53 7.145 8.742 -4.449 1.00 0.00 C ATOM 246 O GLU A 53 6.460 8.802 -5.471 1.00 0.00 O ATOM 247 CB GLU A 53 6.975 10.532 -2.709 1.00 0.00 C ATOM 248 CG GLU A 53 6.232 11.082 -1.504 1.00 0.00 C ATOM 249 CD GLU A 53 6.481 12.563 -1.291 1.00 0.00 C ATOM 250 OE1 GLU A 53 6.412 13.324 -2.279 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.744 12.960 -0.137 1.00 0.00 O ATOM 0 H GLU A 53 7.499 8.587 -1.290 1.00 0.00 H new ATOM 0 HA GLU A 53 5.471 9.062 -3.157 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.045 10.545 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.807 11.191 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.163 10.912 -1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.537 10.534 -0.612 1.00 0.00 H new ATOM 258 N LYS A 54 8.418 8.361 -4.455 1.00 0.00 N ATOM 259 CA LYS A 54 9.099 7.983 -5.687 1.00 0.00 C ATOM 260 C LYS A 54 8.526 6.686 -6.249 1.00 0.00 C ATOM 261 O LYS A 54 8.214 6.597 -7.436 1.00 0.00 O ATOM 262 CB LYS A 54 10.600 7.824 -5.437 1.00 0.00 C ATOM 263 CG LYS A 54 11.440 7.916 -6.699 1.00 0.00 C ATOM 264 CD LYS A 54 11.860 9.348 -6.986 1.00 0.00 C ATOM 265 CE LYS A 54 12.948 9.812 -6.029 1.00 0.00 C ATOM 266 NZ LYS A 54 13.058 11.297 -5.993 1.00 0.00 N ATOM 0 H LYS A 54 8.999 8.306 -3.619 1.00 0.00 H new ATOM 0 HA LYS A 54 8.941 8.776 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.927 8.593 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.780 6.861 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.326 7.290 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.873 7.526 -7.544 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.220 9.424 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.995 10.006 -6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.734 9.439 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.904 9.384 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.810 11.573 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.287 11.651 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.154 11.705 -5.680 1.00 0.00 H new ATOM 280 N GLU A 55 8.390 5.682 -5.387 1.00 0.00 N ATOM 281 CA GLU A 55 7.855 4.390 -5.799 1.00 0.00 C ATOM 282 C GLU A 55 6.428 4.534 -6.323 1.00 0.00 C ATOM 283 O GLU A 55 6.113 4.093 -7.428 1.00 0.00 O ATOM 284 CB GLU A 55 7.882 3.405 -4.628 1.00 0.00 C ATOM 285 CG GLU A 55 9.212 2.686 -4.469 1.00 0.00 C ATOM 286 CD GLU A 55 9.371 1.533 -5.440 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.923 0.414 -5.113 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.945 1.749 -6.528 1.00 0.00 O ATOM 0 H GLU A 55 8.643 5.739 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 55 8.483 4.005 -6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.656 3.942 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.093 2.666 -4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.025 3.397 -4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.299 2.312 -3.449 1.00 0.00 H new ATOM 295 N VAL A 56 5.570 5.156 -5.520 1.00 0.00 N ATOM 296 CA VAL A 56 4.177 5.359 -5.902 1.00 0.00 C ATOM 297 C VAL A 56 4.074 6.057 -7.253 1.00 0.00 C ATOM 298 O VAL A 56 3.538 5.500 -8.212 1.00 0.00 O ATOM 299 CB VAL A 56 3.423 6.191 -4.848 1.00 0.00 C ATOM 300 CG1 VAL A 56 2.014 6.508 -5.327 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.389 5.458 -3.515 1.00 0.00 C ATOM 0 H VAL A 56 5.815 5.528 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 56 3.720 4.372 -5.971 1.00 0.00 H new ATOM 0 HB VAL A 56 3.954 7.132 -4.705 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.496 7.096 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.065 7.076 -6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.471 5.579 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.852 6.060 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.882 4.501 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.408 5.287 -3.168 1.00 0.00 H new ATOM 311 N SER A 57 4.592 7.279 -7.323 1.00 0.00 N ATOM 312 CA SER A 57 4.555 8.056 -8.557 1.00 0.00 C ATOM 313 C SER A 57 4.868 7.174 -9.763 1.00 0.00 C ATOM 314 O SER A 57 4.077 7.085 -10.702 1.00 0.00 O ATOM 315 CB SER A 57 5.552 9.214 -8.485 1.00 0.00 C ATOM 316 OG SER A 57 5.279 10.184 -9.481 1.00 0.00 O ATOM 0 H SER A 57 5.042 7.753 -6.540 1.00 0.00 H new ATOM 0 HA SER A 57 3.549 8.459 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.506 9.677 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.566 8.834 -8.611 1.00 0.00 H new ATOM 0 HG SER A 57 5.929 10.915 -9.413 1.00 0.00 H new ATOM 322 N ASP A 58 6.026 6.526 -9.729 1.00 0.00 N ATOM 323 CA ASP A 58 6.445 5.650 -10.817 1.00 0.00 C ATOM 324 C ASP A 58 5.318 4.703 -11.216 1.00 0.00 C ATOM 325 O ASP A 58 5.030 4.528 -12.400 1.00 0.00 O ATOM 326 CB ASP A 58 7.681 4.848 -10.409 1.00 0.00 C ATOM 327 CG ASP A 58 8.280 4.077 -11.568 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.582 4.703 -12.605 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.447 2.846 -11.438 1.00 0.00 O ATOM 0 H ASP A 58 6.692 6.590 -8.959 1.00 0.00 H new ATOM 0 HA ASP A 58 6.694 6.273 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.431 5.525 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.413 4.152 -9.614 1.00 0.00 H new ATOM 334 N PHE A 59 4.684 4.092 -10.220 1.00 0.00 N ATOM 335 CA PHE A 59 3.590 3.161 -10.467 1.00 0.00 C ATOM 336 C PHE A 59 2.410 3.870 -11.127 1.00 0.00 C ATOM 337 O PHE A 59 1.698 3.283 -11.943 1.00 0.00 O ATOM 338 CB PHE A 59 3.140 2.510 -9.157 1.00 0.00 C ATOM 339 CG PHE A 59 1.742 1.965 -9.208 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.650 2.813 -9.114 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.518 0.605 -9.348 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.639 2.315 -9.161 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.232 0.101 -9.396 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.848 0.957 -9.300 1.00 0.00 C ATOM 0 H PHE A 59 4.910 4.225 -9.234 1.00 0.00 H new ATOM 0 HA PHE A 59 3.951 2.387 -11.144 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.828 1.702 -8.907 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.206 3.244 -8.354 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.808 3.876 -9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.358 -0.069 -9.420 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.481 2.987 -9.089 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.072 -0.961 -9.508 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.854 0.565 -9.334 1.00 0.00 H new ATOM 354 N ILE A 60 2.211 5.133 -10.768 1.00 0.00 N ATOM 355 CA ILE A 60 1.119 5.922 -11.324 1.00 0.00 C ATOM 356 C ILE A 60 1.248 6.047 -12.839 1.00 0.00 C ATOM 357 O ILE A 60 0.347 5.659 -13.582 1.00 0.00 O ATOM 358 CB ILE A 60 1.071 7.332 -10.706 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.861 7.242 -9.193 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.033 8.156 -11.352 1.00 0.00 C ATOM 361 CD1 ILE A 60 1.100 8.549 -8.471 1.00 0.00 C ATOM 0 H ILE A 60 2.792 5.632 -10.094 1.00 0.00 H new ATOM 0 HA ILE A 60 0.195 5.397 -11.082 1.00 0.00 H new ATOM 0 HB ILE A 60 2.024 7.828 -10.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.157 6.908 -8.995 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.530 6.484 -8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.054 9.150 -10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.157 8.244 -12.422 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.993 7.666 -11.193 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.933 8.410 -7.403 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.127 8.875 -8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.413 9.305 -8.851 1.00 0.00 H new ATOM 373 N GLN A 61 2.375 6.590 -13.288 1.00 0.00 N ATOM 374 CA GLN A 61 2.622 6.765 -14.714 1.00 0.00 C ATOM 375 C GLN A 61 2.500 5.438 -15.455 1.00 0.00 C ATOM 376 O GLN A 61 1.871 5.360 -16.510 1.00 0.00 O ATOM 377 CB GLN A 61 4.011 7.365 -14.943 1.00 0.00 C ATOM 378 CG GLN A 61 4.218 8.702 -14.250 1.00 0.00 C ATOM 379 CD GLN A 61 5.338 9.513 -14.869 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.189 8.977 -15.580 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.345 10.814 -14.603 1.00 0.00 N ATOM 0 H GLN A 61 3.131 6.916 -12.685 1.00 0.00 H new ATOM 0 HA GLN A 61 1.869 7.449 -15.106 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.764 6.661 -14.589 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.171 7.492 -16.014 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.292 9.276 -14.293 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.438 8.530 -13.196 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.620 11.217 -14.009 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.075 11.410 -14.993 1.00 0.00 H new ATOM 390 N ASP A 62 3.107 4.397 -14.896 1.00 0.00 N ATOM 391 CA ASP A 62 3.066 3.071 -15.503 1.00 0.00 C ATOM 392 C ASP A 62 1.627 2.586 -15.651 1.00 0.00 C ATOM 393 O ASP A 62 0.919 2.402 -14.661 1.00 0.00 O ATOM 394 CB ASP A 62 3.869 2.077 -14.663 1.00 0.00 C ATOM 395 CG ASP A 62 5.354 2.131 -14.965 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.847 3.222 -15.320 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.023 1.083 -14.846 1.00 0.00 O ATOM 0 H ASP A 62 3.633 4.445 -14.024 1.00 0.00 H new ATOM 0 HA ASP A 62 3.512 3.138 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.708 2.286 -13.605 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.500 1.068 -14.848 1.00 0.00 H new ATOM 402 N SER A 63 1.202 2.380 -16.894 1.00 0.00 N ATOM 403 CA SER A 63 -0.153 1.920 -17.172 1.00 0.00 C ATOM 404 C SER A 63 -0.254 0.405 -17.026 1.00 0.00 C ATOM 405 O SER A 63 -1.158 -0.108 -16.368 1.00 0.00 O ATOM 406 CB SER A 63 -0.577 2.338 -18.581 1.00 0.00 C ATOM 407 OG SER A 63 -1.750 1.653 -18.985 1.00 0.00 O ATOM 0 H SER A 63 1.777 2.525 -17.724 1.00 0.00 H new ATOM 0 HA SER A 63 -0.823 2.382 -16.447 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.753 3.413 -18.607 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.230 2.130 -19.284 1.00 0.00 H new ATOM 0 HG SER A 63 -2.001 1.939 -19.888 1.00 0.00 H new ATOM 413 N GLY A 64 0.683 -0.306 -17.646 1.00 0.00 N ATOM 414 CA GLY A 64 0.683 -1.756 -17.574 1.00 0.00 C ATOM 415 C GLY A 64 0.414 -2.267 -16.173 1.00 0.00 C ATOM 416 O GLY A 64 -0.264 -3.278 -15.994 1.00 0.00 O ATOM 0 H GLY A 64 1.442 0.096 -18.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.073 -2.150 -18.253 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.646 -2.134 -17.916 1.00 0.00 H new ATOM 420 N GLN A 65 0.949 -1.567 -15.177 1.00 0.00 N ATOM 421 CA GLN A 65 0.765 -1.958 -13.784 1.00 0.00 C ATOM 422 C GLN A 65 -0.571 -1.453 -13.249 1.00 0.00 C ATOM 423 O GLN A 65 -0.862 -0.258 -13.309 1.00 0.00 O ATOM 424 CB GLN A 65 1.909 -1.418 -12.925 1.00 0.00 C ATOM 425 CG GLN A 65 3.244 -2.094 -13.195 1.00 0.00 C ATOM 426 CD GLN A 65 4.204 -1.977 -12.028 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.082 -2.695 -11.035 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.167 -1.070 -12.141 1.00 0.00 N ATOM 0 H GLN A 65 1.513 -0.727 -15.309 1.00 0.00 H new ATOM 0 HA GLN A 65 0.767 -3.047 -13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.011 -0.347 -13.102 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.653 -1.544 -11.873 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.075 -3.148 -13.417 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.699 -1.650 -14.081 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.231 -0.496 -12.982 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.843 -0.947 -11.387 1.00 0.00 H new ATOM 437 N ILE A 66 -1.378 -2.370 -12.727 1.00 0.00 N ATOM 438 CA ILE A 66 -2.683 -2.016 -12.181 1.00 0.00 C ATOM 439 C ILE A 66 -2.687 -2.116 -10.659 1.00 0.00 C ATOM 440 O ILE A 66 -3.433 -1.409 -9.981 1.00 0.00 O ATOM 441 CB ILE A 66 -3.794 -2.920 -12.747 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.545 -4.378 -12.356 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.873 -2.778 -14.260 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.795 -5.228 -12.365 1.00 0.00 C ATOM 0 H ILE A 66 -1.152 -3.363 -12.670 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.880 -0.985 -12.476 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.748 -2.608 -12.322 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.817 -4.810 -13.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.102 -4.408 -11.360 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.663 -3.423 -14.645 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.093 -1.742 -14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.920 -3.067 -14.703 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.543 -6.249 -12.078 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.517 -4.820 -11.658 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.227 -5.229 -13.366 1.00 0.00 H new ATOM 456 N LYS A 67 -1.848 -2.999 -10.128 1.00 0.00 N ATOM 457 CA LYS A 67 -1.752 -3.192 -8.686 1.00 0.00 C ATOM 458 C LYS A 67 -0.316 -3.497 -8.272 1.00 0.00 C ATOM 459 O LYS A 67 0.483 -3.982 -9.074 1.00 0.00 O ATOM 460 CB LYS A 67 -2.675 -4.328 -8.239 1.00 0.00 C ATOM 461 CG LYS A 67 -2.274 -5.687 -8.785 1.00 0.00 C ATOM 462 CD LYS A 67 -3.240 -6.773 -8.341 1.00 0.00 C ATOM 463 CE LYS A 67 -2.874 -8.123 -8.940 1.00 0.00 C ATOM 464 NZ LYS A 67 -1.683 -8.720 -8.276 1.00 0.00 N ATOM 0 H LYS A 67 -1.224 -3.593 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.063 -2.267 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.683 -4.371 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.693 -4.104 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.244 -5.648 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.267 -5.933 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.236 -6.843 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.253 -6.504 -8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.721 -8.803 -8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.675 -8.006 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.466 -9.639 -8.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.868 -8.083 -8.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.881 -8.856 -7.264 1.00 0.00 H new ATOM 478 N LYS A 68 0.007 -3.211 -7.015 1.00 0.00 N ATOM 479 CA LYS A 68 1.346 -3.457 -6.494 1.00 0.00 C ATOM 480 C LYS A 68 1.283 -4.042 -5.087 1.00 0.00 C ATOM 481 O LYS A 68 0.409 -3.688 -4.294 1.00 0.00 O ATOM 482 CB LYS A 68 2.158 -2.159 -6.482 1.00 0.00 C ATOM 483 CG LYS A 68 3.655 -2.380 -6.351 1.00 0.00 C ATOM 484 CD LYS A 68 4.410 -1.062 -6.297 1.00 0.00 C ATOM 485 CE LYS A 68 4.744 -0.554 -7.691 1.00 0.00 C ATOM 486 NZ LYS A 68 5.947 -1.229 -8.253 1.00 0.00 N ATOM 0 H LYS A 68 -0.641 -2.808 -6.338 1.00 0.00 H new ATOM 0 HA LYS A 68 1.836 -4.179 -7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.960 -1.608 -7.401 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.818 -1.535 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.861 -2.956 -5.449 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.012 -2.971 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.810 -0.319 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.329 -1.191 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.893 -0.719 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.915 0.522 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.142 -0.856 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.765 -1.050 -7.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.775 -2.253 -8.312 1.00 0.00 H new ATOM 500 N LYS A 69 2.215 -4.938 -4.781 1.00 0.00 N ATOM 501 CA LYS A 69 2.268 -5.571 -3.468 1.00 0.00 C ATOM 502 C LYS A 69 3.565 -5.221 -2.747 1.00 0.00 C ATOM 503 O LYS A 69 4.624 -5.770 -3.052 1.00 0.00 O ATOM 504 CB LYS A 69 2.142 -7.090 -3.606 1.00 0.00 C ATOM 505 CG LYS A 69 1.535 -7.763 -2.387 1.00 0.00 C ATOM 506 CD LYS A 69 2.603 -8.181 -1.391 1.00 0.00 C ATOM 507 CE LYS A 69 3.069 -9.607 -1.639 1.00 0.00 C ATOM 508 NZ LYS A 69 4.324 -9.917 -0.900 1.00 0.00 N ATOM 0 H LYS A 69 2.945 -5.243 -5.425 1.00 0.00 H new ATOM 0 HA LYS A 69 1.432 -5.195 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.530 -7.318 -4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.130 -7.513 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.834 -7.081 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.965 -8.638 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.453 -7.502 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.210 -8.097 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.287 -10.303 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.230 -9.756 -2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.609 -10.898 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.077 -9.270 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.164 -9.800 0.121 1.00 0.00 H new ATOM 522 N PHE A 70 3.476 -4.304 -1.789 1.00 0.00 N ATOM 523 CA PHE A 70 4.643 -3.881 -1.024 1.00 0.00 C ATOM 524 C PHE A 70 4.905 -4.833 0.139 1.00 0.00 C ATOM 525 O PHE A 70 3.975 -5.279 0.811 1.00 0.00 O ATOM 526 CB PHE A 70 4.447 -2.458 -0.499 1.00 0.00 C ATOM 527 CG PHE A 70 4.536 -1.406 -1.568 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.767 -0.981 -2.039 1.00 0.00 C ATOM 529 CD2 PHE A 70 3.387 -0.843 -2.101 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.852 -0.014 -3.023 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.466 0.124 -3.085 1.00 0.00 C ATOM 532 CZ PHE A 70 4.700 0.540 -3.546 1.00 0.00 C ATOM 0 H PHE A 70 2.607 -3.840 -1.524 1.00 0.00 H new ATOM 0 HA PHE A 70 5.507 -3.900 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.474 -2.389 -0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.199 -2.254 0.264 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.671 -1.410 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.420 -1.164 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.818 0.308 -3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.564 0.554 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.764 1.297 -4.314 1.00 0.00 H new ATOM 542 N GLN A 71 6.178 -5.141 0.369 1.00 0.00 N ATOM 543 CA GLN A 71 6.562 -6.041 1.450 1.00 0.00 C ATOM 544 C GLN A 71 6.568 -5.312 2.789 1.00 0.00 C ATOM 545 O GLN A 71 7.011 -4.169 2.899 1.00 0.00 O ATOM 546 CB GLN A 71 7.943 -6.641 1.175 1.00 0.00 C ATOM 547 CG GLN A 71 7.916 -7.808 0.203 1.00 0.00 C ATOM 548 CD GLN A 71 9.241 -8.542 0.136 1.00 0.00 C ATOM 549 OE1 GLN A 71 9.582 -9.315 1.032 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.997 -8.304 -0.930 1.00 0.00 N ATOM 0 H GLN A 71 6.960 -4.781 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 71 5.827 -6.845 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.595 -5.863 0.778 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.380 -6.973 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.133 -8.506 0.500 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.657 -7.443 -0.791 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.675 -7.656 -1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.899 -8.770 -1.030 1.00 0.00 H new ATOM 559 N PRO A 72 6.065 -5.987 3.833 1.00 0.00 N ATOM 560 CA PRO A 72 6.001 -5.423 5.184 1.00 0.00 C ATOM 561 C PRO A 72 7.380 -5.278 5.818 1.00 0.00 C ATOM 562 O PRO A 72 7.790 -6.107 6.630 1.00 0.00 O ATOM 563 CB PRO A 72 5.162 -6.444 5.956 1.00 0.00 C ATOM 564 CG PRO A 72 5.357 -7.726 5.222 1.00 0.00 C ATOM 565 CD PRO A 72 5.519 -7.354 3.775 1.00 0.00 C ATOM 0 HA PRO A 72 5.581 -4.417 5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.492 -6.526 6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.111 -6.157 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.236 -8.256 5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.503 -8.389 5.361 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.195 -8.035 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.568 -7.385 3.243 1.00 0.00 H new ATOM 573 N MET A 73 8.092 -4.221 5.441 1.00 0.00 N ATOM 574 CA MET A 73 9.425 -3.967 5.975 1.00 0.00 C ATOM 575 C MET A 73 9.349 -3.463 7.413 1.00 0.00 C ATOM 576 O MET A 73 10.107 -3.904 8.276 1.00 0.00 O ATOM 577 CB MET A 73 10.162 -2.948 5.103 1.00 0.00 C ATOM 578 CG MET A 73 10.638 -3.515 3.776 1.00 0.00 C ATOM 579 SD MET A 73 10.684 -2.276 2.468 1.00 0.00 S ATOM 580 CE MET A 73 8.973 -1.748 2.439 1.00 0.00 C ATOM 0 H MET A 73 7.768 -3.527 4.768 1.00 0.00 H new ATOM 0 HA MET A 73 9.977 -4.907 5.968 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.502 -2.102 4.911 1.00 0.00 H new ATOM 0 HB3 MET A 73 11.021 -2.564 5.654 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.633 -3.940 3.903 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.979 -4.330 3.476 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.515 -2.051 1.498 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.436 -2.208 3.269 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.925 -0.663 2.533 1.00 0.00 H new ATOM 590 N ASN A 74 8.429 -2.537 7.662 1.00 0.00 N ATOM 591 CA ASN A 74 8.255 -1.973 8.996 1.00 0.00 C ATOM 592 C ASN A 74 6.790 -2.020 9.419 1.00 0.00 C ATOM 593 O ASN A 74 5.924 -2.442 8.653 1.00 0.00 O ATOM 594 CB ASN A 74 8.761 -0.529 9.031 1.00 0.00 C ATOM 595 CG ASN A 74 9.268 -0.128 10.403 1.00 0.00 C ATOM 596 OD1 ASN A 74 8.716 0.766 11.044 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.324 -0.790 10.861 1.00 0.00 N ATOM 0 H ASN A 74 7.793 -2.161 6.959 1.00 0.00 H new ATOM 0 HA ASN A 74 8.837 -2.573 9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.562 -0.410 8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.956 0.143 8.733 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.709 -0.564 11.778 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.750 -1.524 10.296 1.00 0.00 H new ATOM 604 N LYS A 75 6.520 -1.584 10.645 1.00 0.00 N ATOM 605 CA LYS A 75 5.160 -1.574 11.172 1.00 0.00 C ATOM 606 C LYS A 75 4.438 -0.286 10.788 1.00 0.00 C ATOM 607 O LYS A 75 3.302 -0.319 10.314 1.00 0.00 O ATOM 608 CB LYS A 75 5.180 -1.725 12.694 1.00 0.00 C ATOM 609 CG LYS A 75 5.856 -2.999 13.170 1.00 0.00 C ATOM 610 CD LYS A 75 4.931 -4.199 13.049 1.00 0.00 C ATOM 611 CE LYS A 75 5.705 -5.507 13.110 1.00 0.00 C ATOM 612 NZ LYS A 75 6.473 -5.757 11.859 1.00 0.00 N ATOM 0 H LYS A 75 7.225 -1.233 11.293 1.00 0.00 H new ATOM 0 HA LYS A 75 4.622 -2.416 10.737 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.693 -0.867 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.156 -1.706 13.066 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.759 -3.174 12.585 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.167 -2.881 14.208 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.193 -4.174 13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.382 -4.143 12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.390 -5.484 13.958 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.012 -6.331 13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.775 -6.752 11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.871 -5.554 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.310 -5.140 11.836 1.00 0.00 H new ATOM 626 N ILE A 76 5.104 0.845 10.994 1.00 0.00 N ATOM 627 CA ILE A 76 4.525 2.142 10.666 1.00 0.00 C ATOM 628 C ILE A 76 4.602 2.416 9.168 1.00 0.00 C ATOM 629 O ILE A 76 3.711 3.042 8.596 1.00 0.00 O ATOM 630 CB ILE A 76 5.233 3.281 11.422 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.368 2.932 12.906 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.472 4.587 11.247 1.00 0.00 C ATOM 633 CD1 ILE A 76 5.307 4.137 13.819 1.00 0.00 C ATOM 0 H ILE A 76 6.044 0.890 11.386 1.00 0.00 H new ATOM 0 HA ILE A 76 3.480 2.108 10.973 1.00 0.00 H new ATOM 0 HB ILE A 76 6.232 3.407 11.005 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.574 2.237 13.181 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.314 2.414 13.064 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.985 5.382 11.787 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.423 4.841 10.188 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.462 4.475 11.640 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.409 3.814 14.855 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.117 4.823 13.571 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.351 4.643 13.690 1.00 0.00 H new ATOM 645 N GLU A 77 5.673 1.941 8.540 1.00 0.00 N ATOM 646 CA GLU A 77 5.865 2.134 7.107 1.00 0.00 C ATOM 647 C GLU A 77 4.544 1.993 6.357 1.00 0.00 C ATOM 648 O GLU A 77 4.334 2.627 5.322 1.00 0.00 O ATOM 649 CB GLU A 77 6.882 1.127 6.566 1.00 0.00 C ATOM 650 CG GLU A 77 8.319 1.613 6.641 1.00 0.00 C ATOM 651 CD GLU A 77 9.288 0.680 5.940 1.00 0.00 C ATOM 652 OE1 GLU A 77 8.864 -0.006 4.987 1.00 0.00 O ATOM 653 OE2 GLU A 77 10.468 0.637 6.344 1.00 0.00 O ATOM 0 H GLU A 77 6.420 1.421 9.000 1.00 0.00 H new ATOM 0 HA GLU A 77 6.245 3.143 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.792 0.196 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.638 0.899 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.387 2.605 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.610 1.715 7.686 1.00 0.00 H new ATOM 660 N ARG A 78 3.656 1.157 6.886 1.00 0.00 N ATOM 661 CA ARG A 78 2.356 0.931 6.266 1.00 0.00 C ATOM 662 C ARG A 78 1.514 2.203 6.288 1.00 0.00 C ATOM 663 O ARG A 78 1.041 2.664 5.250 1.00 0.00 O ATOM 664 CB ARG A 78 1.614 -0.197 6.985 1.00 0.00 C ATOM 665 CG ARG A 78 0.140 -0.284 6.624 1.00 0.00 C ATOM 666 CD ARG A 78 -0.453 -1.627 7.020 1.00 0.00 C ATOM 667 NE ARG A 78 -0.193 -1.948 8.421 1.00 0.00 N ATOM 668 CZ ARG A 78 -0.888 -2.847 9.110 1.00 0.00 C ATOM 669 NH1 ARG A 78 -1.878 -3.510 8.530 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.591 -3.084 10.381 1.00 0.00 N ATOM 0 H ARG A 78 3.813 0.625 7.742 1.00 0.00 H new ATOM 0 HA ARG A 78 2.522 0.644 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.094 -1.146 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.708 -0.054 8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.406 0.517 7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.018 -0.133 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.529 -1.614 6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.036 -2.409 6.385 1.00 0.00 H new ATOM 0 HE ARG A 78 0.563 -1.455 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.108 -3.331 7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.410 -4.200 9.061 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.171 -2.576 10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.125 -3.774 10.909 1.00 0.00 H new ATOM 684 N SER A 79 1.332 2.765 7.479 1.00 0.00 N ATOM 685 CA SER A 79 0.543 3.982 7.637 1.00 0.00 C ATOM 686 C SER A 79 1.107 5.110 6.778 1.00 0.00 C ATOM 687 O SER A 79 0.364 5.816 6.097 1.00 0.00 O ATOM 688 CB SER A 79 0.515 4.409 9.106 1.00 0.00 C ATOM 689 OG SER A 79 -0.284 5.565 9.286 1.00 0.00 O ATOM 0 H SER A 79 1.720 2.398 8.348 1.00 0.00 H new ATOM 0 HA SER A 79 -0.475 3.772 7.308 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.125 3.595 9.717 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.530 4.608 9.450 1.00 0.00 H new ATOM 0 HG SER A 79 -0.287 5.816 10.233 1.00 0.00 H new ATOM 695 N ILE A 80 2.425 5.272 6.817 1.00 0.00 N ATOM 696 CA ILE A 80 3.089 6.313 6.042 1.00 0.00 C ATOM 697 C ILE A 80 2.791 6.165 4.554 1.00 0.00 C ATOM 698 O ILE A 80 2.341 7.110 3.903 1.00 0.00 O ATOM 699 CB ILE A 80 4.614 6.286 6.254 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.945 6.322 7.747 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.270 7.454 5.532 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.245 5.631 8.095 1.00 0.00 C ATOM 0 H ILE A 80 3.054 4.696 7.377 1.00 0.00 H new ATOM 0 HA ILE A 80 2.698 7.267 6.395 1.00 0.00 H new ATOM 0 HB ILE A 80 5.007 5.359 5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.996 7.360 8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.133 5.852 8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.348 7.421 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.059 7.387 4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.874 8.392 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.415 5.696 9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.191 4.583 7.799 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.067 6.115 7.568 1.00 0.00 H new ATOM 714 N LEU A 81 3.041 4.975 4.022 1.00 0.00 N ATOM 715 CA LEU A 81 2.798 4.702 2.609 1.00 0.00 C ATOM 716 C LEU A 81 1.352 5.013 2.236 1.00 0.00 C ATOM 717 O LEU A 81 1.084 5.614 1.194 1.00 0.00 O ATOM 718 CB LEU A 81 3.115 3.240 2.290 1.00 0.00 C ATOM 719 CG LEU A 81 2.675 2.742 0.913 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.323 3.571 -0.186 1.00 0.00 C ATOM 721 CD2 LEU A 81 3.017 1.269 0.743 1.00 0.00 C ATOM 0 H LEU A 81 3.412 4.183 4.547 1.00 0.00 H new ATOM 0 HA LEU A 81 3.453 5.346 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.192 3.095 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.645 2.614 3.048 1.00 0.00 H new ATOM 0 HG LEU A 81 1.594 2.854 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.999 3.202 -1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.028 4.615 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.407 3.491 -0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.696 0.932 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.094 1.132 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.506 0.686 1.509 1.00 0.00 H new ATOM 733 N HIS A 82 0.423 4.604 3.094 1.00 0.00 N ATOM 734 CA HIS A 82 -0.996 4.842 2.855 1.00 0.00 C ATOM 735 C HIS A 82 -1.263 6.322 2.602 1.00 0.00 C ATOM 736 O HIS A 82 -1.939 6.685 1.639 1.00 0.00 O ATOM 737 CB HIS A 82 -1.823 4.358 4.047 1.00 0.00 C ATOM 738 CG HIS A 82 -2.279 2.937 3.923 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.364 2.558 3.162 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.788 1.799 4.467 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.523 1.250 3.245 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.578 0.765 4.031 1.00 0.00 N ATOM 0 H HIS A 82 0.627 4.106 3.961 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.290 4.282 1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.231 4.463 4.956 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.695 5.002 4.159 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.933 1.719 5.122 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.294 0.675 2.754 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.456 -0.218 4.274 1.00 0.00 H new ATOM 750 N ASP A 83 -0.730 7.172 3.473 1.00 0.00 N ATOM 751 CA ASP A 83 -0.910 8.613 3.344 1.00 0.00 C ATOM 752 C ASP A 83 -0.369 9.111 2.007 1.00 0.00 C ATOM 753 O ASP A 83 -1.018 9.896 1.316 1.00 0.00 O ATOM 754 CB ASP A 83 -0.213 9.341 4.494 1.00 0.00 C ATOM 755 CG ASP A 83 -0.804 10.713 4.753 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.045 11.450 3.774 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.024 11.051 5.935 1.00 0.00 O ATOM 0 H ASP A 83 -0.170 6.888 4.276 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.978 8.826 3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.288 8.739 5.400 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.848 9.443 4.266 1.00 0.00 H new ATOM 762 N VAL A 84 0.826 8.651 1.650 1.00 0.00 N ATOM 763 CA VAL A 84 1.456 9.049 0.397 1.00 0.00 C ATOM 764 C VAL A 84 0.633 8.590 -0.802 1.00 0.00 C ATOM 765 O VAL A 84 0.544 9.288 -1.811 1.00 0.00 O ATOM 766 CB VAL A 84 2.881 8.477 0.278 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.478 8.810 -1.080 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.762 9.004 1.401 1.00 0.00 C ATOM 0 H VAL A 84 1.377 8.002 2.211 1.00 0.00 H new ATOM 0 HA VAL A 84 1.510 10.138 0.402 1.00 0.00 H new ATOM 0 HB VAL A 84 2.827 7.392 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.485 8.398 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.857 8.379 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.520 9.892 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.765 8.590 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.811 10.091 1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.341 8.709 2.362 1.00 0.00 H new ATOM 778 N VAL A 85 0.033 7.409 -0.683 1.00 0.00 N ATOM 779 CA VAL A 85 -0.784 6.856 -1.756 1.00 0.00 C ATOM 780 C VAL A 85 -2.104 7.608 -1.885 1.00 0.00 C ATOM 781 O VAL A 85 -2.429 8.132 -2.950 1.00 0.00 O ATOM 782 CB VAL A 85 -1.077 5.362 -1.525 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.012 4.828 -2.599 1.00 0.00 C ATOM 784 CG2 VAL A 85 0.218 4.564 -1.489 1.00 0.00 C ATOM 0 H VAL A 85 0.098 6.818 0.146 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.214 6.968 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.572 5.252 -0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.207 3.771 -2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.951 5.380 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.549 4.950 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.008 3.510 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.743 4.679 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.849 4.930 -0.679 1.00 0.00 H new ATOM 794 N GLU A 86 -2.860 7.656 -0.793 1.00 0.00 N ATOM 795 CA GLU A 86 -4.146 8.345 -0.785 1.00 0.00 C ATOM 796 C GLU A 86 -4.011 9.756 -1.349 1.00 0.00 C ATOM 797 O GLU A 86 -4.917 10.261 -2.011 1.00 0.00 O ATOM 798 CB GLU A 86 -4.709 8.403 0.636 1.00 0.00 C ATOM 799 CG GLU A 86 -4.220 9.599 1.436 1.00 0.00 C ATOM 800 CD GLU A 86 -5.100 10.820 1.257 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.821 10.887 0.239 1.00 0.00 O ATOM 802 OE2 GLU A 86 -5.069 11.709 2.134 1.00 0.00 O ATOM 0 H GLU A 86 -2.605 7.227 0.097 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.834 7.784 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.797 8.431 0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.437 7.488 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.183 9.334 2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.202 9.842 1.133 1.00 0.00 H new ATOM 809 N VAL A 87 -2.872 10.388 -1.081 1.00 0.00 N ATOM 810 CA VAL A 87 -2.617 11.741 -1.561 1.00 0.00 C ATOM 811 C VAL A 87 -2.313 11.745 -3.055 1.00 0.00 C ATOM 812 O VAL A 87 -2.759 12.627 -3.788 1.00 0.00 O ATOM 813 CB VAL A 87 -1.443 12.392 -0.807 1.00 0.00 C ATOM 814 CG1 VAL A 87 -1.085 13.732 -1.432 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.782 12.555 0.667 1.00 0.00 C ATOM 0 H VAL A 87 -2.112 9.984 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.522 12.319 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.575 11.738 -0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.253 14.178 -0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.798 13.583 -2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.947 14.397 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.941 13.017 1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.663 13.188 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.985 11.577 1.104 1.00 0.00 H new ATOM 825 N ALA A 88 -1.549 10.752 -3.501 1.00 0.00 N ATOM 826 CA ALA A 88 -1.187 10.640 -4.908 1.00 0.00 C ATOM 827 C ALA A 88 -2.426 10.483 -5.783 1.00 0.00 C ATOM 828 O ALA A 88 -2.445 10.921 -6.933 1.00 0.00 O ATOM 829 CB ALA A 88 -0.239 9.469 -5.117 1.00 0.00 C ATOM 0 H ALA A 88 -1.169 10.014 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.681 11.560 -5.202 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.023 9.397 -6.173 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.665 9.623 -4.528 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.725 8.546 -4.800 1.00 0.00 H new ATOM 835 N GLY A 89 -3.459 9.854 -5.231 1.00 0.00 N ATOM 836 CA GLY A 89 -4.687 9.650 -5.977 1.00 0.00 C ATOM 837 C GLY A 89 -4.889 8.201 -6.376 1.00 0.00 C ATOM 838 O GLY A 89 -5.434 7.914 -7.443 1.00 0.00 O ATOM 0 H GLY A 89 -3.467 9.482 -4.281 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.534 9.979 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.672 10.272 -6.872 1.00 0.00 H new ATOM 842 N LEU A 90 -4.447 7.286 -5.520 1.00 0.00 N ATOM 843 CA LEU A 90 -4.580 5.859 -5.790 1.00 0.00 C ATOM 844 C LEU A 90 -5.260 5.146 -4.626 1.00 0.00 C ATOM 845 O LEU A 90 -5.446 5.722 -3.554 1.00 0.00 O ATOM 846 CB LEU A 90 -3.207 5.239 -6.051 1.00 0.00 C ATOM 847 CG LEU A 90 -2.446 5.778 -7.263 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.029 5.226 -7.293 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.181 5.435 -8.550 1.00 0.00 C ATOM 0 H LEU A 90 -3.994 7.507 -4.633 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.200 5.739 -6.678 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.590 5.386 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.334 4.164 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.389 6.863 -7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.503 5.621 -8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.504 5.523 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.063 4.138 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.625 5.826 -9.402 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.270 4.352 -8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.176 5.880 -8.531 1.00 0.00 H new ATOM 861 N THR A 91 -5.628 3.887 -4.843 1.00 0.00 N ATOM 862 CA THR A 91 -6.286 3.094 -3.813 1.00 0.00 C ATOM 863 C THR A 91 -5.268 2.350 -2.957 1.00 0.00 C ATOM 864 O THR A 91 -4.217 1.936 -3.446 1.00 0.00 O ATOM 865 CB THR A 91 -7.265 2.075 -4.427 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.339 2.760 -5.081 1.00 0.00 O ATOM 867 CG2 THR A 91 -7.824 1.149 -3.357 1.00 0.00 C ATOM 0 H THR A 91 -5.481 3.395 -5.724 1.00 0.00 H new ATOM 0 HA THR A 91 -6.843 3.791 -3.187 1.00 0.00 H new ATOM 0 HB THR A 91 -6.720 1.475 -5.156 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.181 2.289 -4.909 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.513 0.438 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.006 0.607 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.354 1.737 -2.608 1.00 0.00 H new ATOM 875 N SER A 92 -5.586 2.184 -1.677 1.00 0.00 N ATOM 876 CA SER A 92 -4.696 1.492 -0.752 1.00 0.00 C ATOM 877 C SER A 92 -5.461 0.457 0.067 1.00 0.00 C ATOM 878 O SER A 92 -6.546 0.732 0.579 1.00 0.00 O ATOM 879 CB SER A 92 -4.016 2.496 0.182 1.00 0.00 C ATOM 880 OG SER A 92 -4.969 3.339 0.805 1.00 0.00 O ATOM 0 H SER A 92 -6.453 2.519 -1.257 1.00 0.00 H new ATOM 0 HA SER A 92 -3.934 0.976 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.446 1.962 0.942 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.306 3.100 -0.383 1.00 0.00 H new ATOM 0 HG SER A 92 -4.780 3.393 1.765 1.00 0.00 H new ATOM 886 N PHE A 93 -4.887 -0.736 0.185 1.00 0.00 N ATOM 887 CA PHE A 93 -5.515 -1.815 0.940 1.00 0.00 C ATOM 888 C PHE A 93 -4.474 -2.828 1.407 1.00 0.00 C ATOM 889 O PHE A 93 -3.627 -3.267 0.630 1.00 0.00 O ATOM 890 CB PHE A 93 -6.576 -2.513 0.086 1.00 0.00 C ATOM 891 CG PHE A 93 -7.934 -1.879 0.181 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.738 -2.095 1.288 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.406 -1.066 -0.837 1.00 0.00 C ATOM 894 CE1 PHE A 93 -9.989 -1.513 1.377 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.656 -0.481 -0.753 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.447 -0.704 0.356 1.00 0.00 C ATOM 0 H PHE A 93 -3.989 -0.980 -0.232 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.994 -1.381 1.818 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.254 -2.508 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.649 -3.557 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.384 -2.725 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.790 -0.887 -1.706 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.607 -1.691 2.244 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.013 0.149 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.423 -0.246 0.425 1.00 0.00 H new ATOM 906 N SER A 94 -4.545 -3.193 2.683 1.00 0.00 N ATOM 907 CA SER A 94 -3.607 -4.151 3.257 1.00 0.00 C ATOM 908 C SER A 94 -4.227 -5.544 3.326 1.00 0.00 C ATOM 909 O SER A 94 -5.384 -5.702 3.716 1.00 0.00 O ATOM 910 CB SER A 94 -3.177 -3.702 4.655 1.00 0.00 C ATOM 911 OG SER A 94 -1.957 -4.314 5.035 1.00 0.00 O ATOM 0 H SER A 94 -5.242 -2.840 3.339 1.00 0.00 H new ATOM 0 HA SER A 94 -2.730 -4.194 2.611 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.065 -2.618 4.674 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.954 -3.954 5.376 1.00 0.00 H new ATOM 0 HG SER A 94 -1.461 -4.580 4.233 1.00 0.00 H new ATOM 917 N PHE A 95 -3.448 -6.551 2.945 1.00 0.00 N ATOM 918 CA PHE A 95 -3.919 -7.931 2.962 1.00 0.00 C ATOM 919 C PHE A 95 -2.811 -8.878 3.412 1.00 0.00 C ATOM 920 O PHE A 95 -1.730 -8.910 2.826 1.00 0.00 O ATOM 921 CB PHE A 95 -4.422 -8.338 1.576 1.00 0.00 C ATOM 922 CG PHE A 95 -5.478 -7.421 1.028 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.753 -7.410 1.569 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.195 -6.570 -0.028 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.727 -6.568 1.067 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.165 -5.725 -0.535 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.433 -5.724 0.014 1.00 0.00 C ATOM 0 H PHE A 95 -2.488 -6.437 2.621 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.742 -7.999 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.579 -8.362 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.822 -9.351 1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.989 -8.067 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.205 -6.567 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.717 -6.570 1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.932 -5.067 -1.359 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.193 -5.065 -0.379 1.00 0.00 H new ATOM 937 N GLY A 96 -3.089 -9.649 4.460 1.00 0.00 N ATOM 938 CA GLY A 96 -2.106 -10.586 4.972 1.00 0.00 C ATOM 939 C GLY A 96 -2.719 -11.920 5.349 1.00 0.00 C ATOM 940 O GLY A 96 -3.919 -12.008 5.610 1.00 0.00 O ATOM 0 H GLY A 96 -3.976 -9.641 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.333 -10.744 4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.617 -10.154 5.845 1.00 0.00 H new ATOM 944 N GLU A 97 -1.894 -12.963 5.375 1.00 0.00 N ATOM 945 CA GLU A 97 -2.364 -14.299 5.720 1.00 0.00 C ATOM 946 C GLU A 97 -2.378 -14.497 7.233 1.00 0.00 C ATOM 947 O GLU A 97 -3.181 -15.267 7.762 1.00 0.00 O ATOM 948 CB GLU A 97 -1.479 -15.360 5.064 1.00 0.00 C ATOM 949 CG GLU A 97 -1.534 -15.345 3.546 1.00 0.00 C ATOM 950 CD GLU A 97 -2.862 -15.839 3.005 1.00 0.00 C ATOM 951 OE1 GLU A 97 -3.851 -15.080 3.077 1.00 0.00 O ATOM 952 OE2 GLU A 97 -2.911 -16.984 2.510 1.00 0.00 O ATOM 0 H GLU A 97 -0.898 -12.908 5.161 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.383 -14.405 5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.448 -15.209 5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.782 -16.345 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.356 -14.330 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.731 -15.967 3.151 1.00 0.00 H new ATOM 959 N ASP A 98 -1.485 -13.798 7.924 1.00 0.00 N ATOM 960 CA ASP A 98 -1.394 -13.896 9.376 1.00 0.00 C ATOM 961 C ASP A 98 -1.645 -12.540 10.029 1.00 0.00 C ATOM 962 O ASP A 98 -1.358 -11.496 9.444 1.00 0.00 O ATOM 963 CB ASP A 98 -0.020 -14.427 9.788 1.00 0.00 C ATOM 964 CG ASP A 98 0.092 -14.645 11.284 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.936 -14.965 11.915 1.00 0.00 O ATOM 966 OD2 ASP A 98 1.209 -14.495 11.824 1.00 0.00 O ATOM 0 H ASP A 98 -0.813 -13.157 7.502 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.161 -14.591 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.173 -15.367 9.271 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.749 -13.724 9.468 1.00 0.00 H new ATOM 971 N ASP A 99 -2.184 -12.565 11.243 1.00 0.00 N ATOM 972 CA ASP A 99 -2.474 -11.338 11.976 1.00 0.00 C ATOM 973 C ASP A 99 -1.203 -10.526 12.201 1.00 0.00 C ATOM 974 O ASP A 99 -1.229 -9.295 12.187 1.00 0.00 O ATOM 975 CB ASP A 99 -3.131 -11.664 13.318 1.00 0.00 C ATOM 976 CG ASP A 99 -2.345 -12.686 14.114 1.00 0.00 C ATOM 977 OD1 ASP A 99 -1.413 -12.282 14.841 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.660 -13.890 14.010 1.00 0.00 O ATOM 0 H ASP A 99 -2.429 -13.421 11.740 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.163 -10.741 11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.229 -10.749 13.903 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.139 -12.041 13.144 1.00 0.00 H new ATOM 983 N ASP A 100 -0.091 -11.223 12.411 1.00 0.00 N ATOM 984 CA ASP A 100 1.191 -10.567 12.640 1.00 0.00 C ATOM 985 C ASP A 100 1.819 -10.125 11.322 1.00 0.00 C ATOM 986 O ASP A 100 2.362 -9.025 11.220 1.00 0.00 O ATOM 987 CB ASP A 100 2.143 -11.506 13.383 1.00 0.00 C ATOM 988 CG ASP A 100 1.629 -11.880 14.760 1.00 0.00 C ATOM 989 OD1 ASP A 100 0.959 -11.037 15.393 1.00 0.00 O ATOM 990 OD2 ASP A 100 1.896 -13.016 15.204 1.00 0.00 O ATOM 0 H ASP A 100 -0.052 -12.242 12.427 1.00 0.00 H new ATOM 0 HA ASP A 100 1.014 -9.682 13.252 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.289 -12.412 12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.118 -11.028 13.480 1.00 0.00 H new ATOM 995 N CYS A 101 1.741 -10.990 10.317 1.00 0.00 N ATOM 996 CA CYS A 101 2.303 -10.690 9.005 1.00 0.00 C ATOM 997 C CYS A 101 1.233 -10.142 8.067 1.00 0.00 C ATOM 998 O CYS A 101 0.338 -10.870 7.637 1.00 0.00 O ATOM 999 CB CYS A 101 2.936 -11.944 8.399 1.00 0.00 C ATOM 1000 SG CYS A 101 4.266 -12.655 9.396 1.00 0.00 S ATOM 0 H CYS A 101 1.294 -11.904 10.385 1.00 0.00 H new ATOM 0 HA CYS A 101 3.073 -9.929 9.133 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.161 -12.697 8.257 1.00 0.00 H new ATOM 0 HB3 CYS A 101 3.328 -11.699 7.412 1.00 0.00 H new ATOM 0 HG CYS A 101 4.736 -13.712 8.802 1.00 0.00 H new ATOM 1006 N ARG A 102 1.331 -8.854 7.754 1.00 0.00 N ATOM 1007 CA ARG A 102 0.369 -8.207 6.870 1.00 0.00 C ATOM 1008 C ARG A 102 1.062 -7.198 5.959 1.00 0.00 C ATOM 1009 O ARG A 102 1.643 -6.220 6.428 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.719 -7.509 7.687 1.00 0.00 C ATOM 1011 CG ARG A 102 -2.065 -7.448 6.983 1.00 0.00 C ATOM 1012 CD ARG A 102 -3.216 -7.493 7.976 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.525 -6.172 8.516 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.188 -5.979 9.651 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.609 -7.017 10.362 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -4.431 -4.746 10.077 1.00 0.00 N ATOM 0 H ARG A 102 2.067 -8.238 8.100 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.091 -8.976 6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.839 -8.030 8.637 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.393 -6.495 7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.127 -6.533 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.151 -8.282 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.101 -7.901 7.487 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.964 -8.169 8.793 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.215 -5.353 7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.424 -7.966 10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.118 -6.866 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.109 -3.946 9.533 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.940 -4.599 10.948 1.00 0.00 H new ATOM 1030 N TYR A 103 0.995 -7.443 4.655 1.00 0.00 N ATOM 1031 CA TYR A 103 1.618 -6.558 3.678 1.00 0.00 C ATOM 1032 C TYR A 103 0.647 -5.470 3.231 1.00 0.00 C ATOM 1033 O TYR A 103 -0.560 -5.568 3.456 1.00 0.00 O ATOM 1034 CB TYR A 103 2.098 -7.358 2.466 1.00 0.00 C ATOM 1035 CG TYR A 103 0.983 -8.061 1.725 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.022 -7.338 1.094 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.935 -9.448 1.655 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.042 -7.977 0.416 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.081 -10.095 0.979 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.068 -9.355 0.361 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.082 -9.994 -0.314 1.00 0.00 O ATOM 0 H TYR A 103 0.516 -8.247 4.250 1.00 0.00 H new ATOM 0 HA TYR A 103 2.476 -6.082 4.153 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.613 -6.687 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.827 -8.098 2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.005 -6.259 1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.706 -10.030 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.816 -7.400 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.103 -11.174 0.934 1.00 0.00 H new ATOM 0 HH TYR A 103 -1.952 -10.964 -0.258 1.00 0.00 H new ATOM 1051 N VAL A 104 1.182 -4.432 2.596 1.00 0.00 N ATOM 1052 CA VAL A 104 0.364 -3.325 2.115 1.00 0.00 C ATOM 1053 C VAL A 104 0.270 -3.332 0.593 1.00 0.00 C ATOM 1054 O VAL A 104 1.286 -3.305 -0.101 1.00 0.00 O ATOM 1055 CB VAL A 104 0.927 -1.968 2.577 1.00 0.00 C ATOM 1056 CG1 VAL A 104 2.293 -1.718 1.958 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.039 -0.845 2.231 1.00 0.00 C ATOM 0 H VAL A 104 2.179 -4.335 2.403 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.631 -3.460 2.539 1.00 0.00 H new ATOM 0 HB VAL A 104 1.045 -1.993 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.675 -0.755 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.980 -2.508 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.205 -1.712 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.375 0.107 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.192 -0.816 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.993 -1.020 2.728 1.00 0.00 H new ATOM 1067 N MET A 105 -0.956 -3.368 0.082 1.00 0.00 N ATOM 1068 CA MET A 105 -1.183 -3.376 -1.359 1.00 0.00 C ATOM 1069 C MET A 105 -1.832 -2.073 -1.815 1.00 0.00 C ATOM 1070 O MET A 105 -2.402 -1.338 -1.008 1.00 0.00 O ATOM 1071 CB MET A 105 -2.064 -4.564 -1.751 1.00 0.00 C ATOM 1072 CG MET A 105 -1.276 -5.819 -2.091 1.00 0.00 C ATOM 1073 SD MET A 105 -2.327 -7.159 -2.684 1.00 0.00 S ATOM 1074 CE MET A 105 -2.076 -7.027 -4.453 1.00 0.00 C ATOM 0 H MET A 105 -1.807 -3.392 0.643 1.00 0.00 H new ATOM 0 HA MET A 105 -0.216 -3.471 -1.854 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.748 -4.785 -0.931 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.675 -4.285 -2.609 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.532 -5.582 -2.852 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.732 -6.153 -1.207 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.662 -7.792 -4.962 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.393 -6.041 -4.793 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.020 -7.167 -4.682 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.743 -1.795 -3.111 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.323 -0.581 -3.673 1.00 0.00 C ATOM 1086 C ILE A 106 -2.958 -0.854 -5.032 1.00 0.00 C ATOM 1087 O ILE A 106 -2.431 -1.627 -5.832 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.267 0.529 -3.826 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.090 0.032 -4.668 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.787 0.995 -2.459 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.594 1.126 -5.457 1.00 0.00 C ATOM 0 H ILE A 106 -1.275 -2.393 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.091 -0.246 -2.976 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.724 1.376 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.640 -0.443 -4.012 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.445 -0.734 -5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.041 1.780 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.631 1.384 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.345 0.155 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.418 0.701 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.122 1.586 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.980 1.881 -4.772 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.093 -0.212 -5.288 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.801 -0.384 -6.551 1.00 0.00 C ATOM 1105 C PHE A 107 -4.984 0.956 -7.259 1.00 0.00 C ATOM 1106 O PHE A 107 -4.769 2.016 -6.671 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.163 -1.038 -6.312 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.070 -2.461 -5.839 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.408 -2.771 -4.662 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.645 -3.487 -6.571 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.320 -4.080 -4.225 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.560 -4.797 -6.139 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.898 -5.094 -4.964 1.00 0.00 C ATOM 0 H PHE A 107 -4.542 0.432 -4.637 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.202 -1.033 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.713 -0.454 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.739 -1.008 -7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.956 -1.982 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.166 -3.261 -7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.800 -4.309 -3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -7.011 -5.588 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.832 -6.117 -4.624 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.384 0.900 -8.525 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.598 2.107 -9.314 1.00 0.00 C ATOM 1125 C LYS A 108 -7.056 2.548 -9.249 1.00 0.00 C ATOM 1126 O LYS A 108 -7.913 1.824 -8.741 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.191 1.867 -10.770 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.736 2.195 -11.057 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.472 2.302 -12.549 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.224 3.123 -12.837 1.00 0.00 C ATOM 1131 NZ LYS A 108 -1.991 3.284 -14.299 1.00 0.00 N ATOM 0 H LYS A 108 -5.567 0.031 -9.027 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.978 2.900 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.376 0.823 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.826 2.470 -11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.471 3.134 -10.572 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.097 1.423 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.358 1.304 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.331 2.760 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.321 4.105 -12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.359 2.640 -12.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.994 3.082 -14.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.600 2.623 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.216 4.259 -14.581 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.333 3.739 -9.767 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.688 4.277 -9.771 1.00 0.00 C ATOM 1147 C LYS A 109 -9.625 3.386 -10.582 1.00 0.00 C ATOM 1148 O LYS A 109 -10.714 3.039 -10.126 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.695 5.696 -10.343 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.087 6.284 -10.496 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.043 7.799 -10.607 1.00 0.00 C ATOM 1152 CE LYS A 109 -9.939 8.456 -9.239 1.00 0.00 C ATOM 1153 NZ LYS A 109 -9.831 9.937 -9.341 1.00 0.00 N ATOM 0 H LYS A 109 -6.636 4.351 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.043 4.306 -8.741 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.106 6.343 -9.693 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.204 5.689 -11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.564 5.867 -11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.700 5.998 -9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.192 8.095 -11.220 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.940 8.154 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.814 8.196 -8.644 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.068 8.064 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.762 10.347 -8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.982 10.186 -9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.674 10.314 -9.820 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.192 3.020 -11.784 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.992 2.169 -12.657 1.00 0.00 C ATOM 1169 C GLU A 110 -9.893 0.707 -12.232 1.00 0.00 C ATOM 1170 O GLU A 110 -10.871 -0.037 -12.295 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.539 2.321 -14.110 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.262 1.396 -15.074 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.030 1.767 -16.525 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -8.916 1.517 -17.031 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -10.962 2.309 -17.156 1.00 0.00 O ATOM 0 H GLU A 110 -8.292 3.299 -12.175 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.032 2.484 -12.574 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.695 3.353 -14.424 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.468 2.128 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.929 0.372 -14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.331 1.422 -14.863 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.703 0.303 -11.799 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.474 -1.071 -11.365 1.00 0.00 C ATOM 1184 C PHE A 111 -8.708 -1.213 -9.864 1.00 0.00 C ATOM 1185 O PHE A 111 -8.263 -2.178 -9.244 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.050 -1.507 -11.714 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.724 -1.378 -13.175 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.429 -2.103 -14.122 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.714 -0.530 -13.600 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.130 -1.986 -15.467 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.412 -0.409 -14.943 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.121 -1.137 -15.878 1.00 0.00 C ATOM 0 H PHE A 111 -7.883 0.907 -11.739 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.182 -1.714 -11.888 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.344 -0.908 -11.138 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.911 -2.544 -11.409 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.220 -2.767 -13.806 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.157 0.043 -12.874 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.685 -2.558 -16.196 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.622 0.255 -15.261 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.887 -1.043 -16.928 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.410 -0.243 -9.286 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.705 -0.260 -7.859 1.00 0.00 C ATOM 1204 C ALA A 112 -10.720 -1.346 -7.521 1.00 0.00 C ATOM 1205 O ALA A 112 -11.635 -1.636 -8.292 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.215 1.101 -7.409 1.00 0.00 C ATOM 0 H ALA A 112 -9.785 0.564 -9.785 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.782 -0.484 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.431 1.074 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.455 1.858 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.124 1.348 -7.957 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.557 -1.962 -6.341 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.451 -3.027 -5.874 1.00 0.00 C ATOM 1214 C PRO A 113 -12.839 -2.505 -5.521 1.00 0.00 C ATOM 1215 O PRO A 113 -13.005 -1.332 -5.186 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.746 -3.559 -4.624 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.919 -2.418 -4.141 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.489 -1.667 -5.371 1.00 0.00 C ATOM 0 HA PRO A 113 -11.619 -3.784 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.465 -3.875 -3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.127 -4.426 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.493 -1.776 -3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.055 -2.773 -3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.404 -0.597 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.516 -2.005 -5.729 1.00 0.00 H new ATOM 1226 N SER A 114 -13.834 -3.383 -5.597 1.00 0.00 N ATOM 1227 CA SER A 114 -15.209 -3.010 -5.289 1.00 0.00 C ATOM 1228 C SER A 114 -15.511 -3.225 -3.809 1.00 0.00 C ATOM 1229 O SER A 114 -14.804 -3.960 -3.120 1.00 0.00 O ATOM 1230 CB SER A 114 -16.184 -3.822 -6.143 1.00 0.00 C ATOM 1231 OG SER A 114 -16.380 -3.216 -7.409 1.00 0.00 O ATOM 0 H SER A 114 -13.713 -4.358 -5.870 1.00 0.00 H new ATOM 0 HA SER A 114 -15.332 -1.951 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.800 -4.834 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.140 -3.909 -5.626 1.00 0.00 H new ATOM 0 HG SER A 114 -17.006 -3.755 -7.936 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.567 -2.577 -3.327 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.965 -2.697 -1.929 1.00 0.00 C ATOM 1239 C ASP A 115 -17.158 -4.160 -1.543 1.00 0.00 C ATOM 1240 O ASP A 115 -16.400 -4.705 -0.741 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.254 -1.915 -1.675 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.442 -1.568 -0.211 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.443 -1.208 0.446 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.588 -1.657 0.277 1.00 0.00 O ATOM 0 H ASP A 115 -17.162 -1.964 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.169 -2.279 -1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.241 -0.998 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -19.106 -2.502 -2.018 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.178 -4.789 -2.118 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.471 -6.188 -1.831 1.00 0.00 C ATOM 1251 C GLU A 116 -17.223 -7.050 -1.994 1.00 0.00 C ATOM 1252 O GLU A 116 -16.916 -7.882 -1.141 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.580 -6.699 -2.754 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.979 -6.330 -2.287 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.275 -4.851 -2.445 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.947 -4.290 -3.511 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -21.836 -4.255 -1.501 1.00 0.00 O ATOM 0 H GLU A 116 -18.815 -4.352 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.807 -6.257 -0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.422 -6.297 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.506 -7.784 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.711 -6.906 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.094 -6.610 -1.240 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.507 -6.844 -3.095 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.293 -7.603 -3.369 1.00 0.00 C ATOM 1266 C GLU A 117 -14.276 -7.428 -2.245 1.00 0.00 C ATOM 1267 O GLU A 117 -13.634 -8.388 -1.819 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.679 -7.162 -4.700 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.643 -7.245 -5.872 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.894 -8.672 -6.321 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.006 -9.524 -6.109 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.977 -8.936 -6.883 1.00 0.00 O ATOM 0 H GLU A 117 -16.747 -6.158 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.561 -8.658 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.324 -6.136 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.808 -7.782 -4.912 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.590 -6.784 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.244 -6.670 -6.708 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.135 -6.195 -1.770 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.195 -5.892 -0.696 1.00 0.00 C ATOM 1281 C LEU A 118 -13.478 -6.751 0.533 1.00 0.00 C ATOM 1282 O LEU A 118 -12.572 -7.365 1.096 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.274 -4.410 -0.325 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.519 -3.448 -1.243 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.880 -2.007 -0.918 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -11.018 -3.664 -1.122 1.00 0.00 C ATOM 0 H LEU A 118 -14.659 -5.389 -2.111 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.190 -6.118 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.323 -4.116 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.892 -4.289 0.689 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.813 -3.651 -2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.333 -1.337 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.951 -1.860 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.615 -1.790 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.496 -2.971 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.707 -3.488 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.774 -4.688 -1.405 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.742 -6.791 0.942 1.00 0.00 N ATOM 1299 CA ASP A 119 -15.145 -7.578 2.102 1.00 0.00 C ATOM 1300 C ASP A 119 -14.740 -9.039 1.935 1.00 0.00 C ATOM 1301 O ASP A 119 -14.145 -9.634 2.833 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.656 -7.476 2.313 1.00 0.00 C ATOM 1303 CG ASP A 119 -17.065 -7.801 3.736 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.525 -8.775 4.300 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.926 -7.082 4.286 1.00 0.00 O ATOM 0 H ASP A 119 -15.504 -6.288 0.488 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.635 -7.176 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.987 -6.468 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -17.162 -8.156 1.628 1.00 0.00 H new ATOM 1310 N SER A 120 -15.067 -9.611 0.781 1.00 0.00 N ATOM 1311 CA SER A 120 -14.741 -11.004 0.498 1.00 0.00 C ATOM 1312 C SER A 120 -13.233 -11.195 0.377 1.00 0.00 C ATOM 1313 O SER A 120 -12.695 -12.234 0.760 1.00 0.00 O ATOM 1314 CB SER A 120 -15.430 -11.459 -0.790 1.00 0.00 C ATOM 1315 OG SER A 120 -14.717 -11.017 -1.932 1.00 0.00 O ATOM 0 H SER A 120 -15.558 -9.131 0.026 1.00 0.00 H new ATOM 0 HA SER A 120 -15.101 -11.612 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.504 -12.546 -0.802 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.448 -11.069 -0.819 1.00 0.00 H new ATOM 0 HG SER A 120 -14.448 -10.083 -1.808 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.556 -10.185 -0.158 1.00 0.00 N ATOM 1322 CA TYR A 121 -11.109 -10.242 -0.332 1.00 0.00 C ATOM 1323 C TYR A 121 -10.410 -10.502 0.998 1.00 0.00 C ATOM 1324 O TYR A 121 -9.498 -11.325 1.082 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.597 -8.937 -0.944 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.583 -8.941 -2.456 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.828 -9.870 -3.161 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.325 -8.016 -3.180 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.812 -9.878 -4.542 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.316 -8.017 -4.561 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.558 -8.949 -5.238 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.545 -8.952 -6.614 1.00 0.00 O ATOM 0 H TYR A 121 -12.986 -9.317 -0.479 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.882 -11.067 -1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -11.221 -8.114 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.587 -8.747 -0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.243 -10.599 -2.620 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.919 -7.284 -2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.219 -10.607 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.900 -7.291 -5.108 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.124 -8.235 -6.948 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.844 -9.795 2.036 1.00 0.00 N ATOM 1343 CA ARG A 122 -10.261 -9.948 3.363 1.00 0.00 C ATOM 1344 C ARG A 122 -10.657 -11.286 3.981 1.00 0.00 C ATOM 1345 O ARG A 122 -9.831 -11.973 4.582 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.705 -8.802 4.274 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.921 -7.517 4.063 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.575 -6.632 3.013 1.00 0.00 C ATOM 1349 NE ARG A 122 -11.936 -6.256 3.384 1.00 0.00 N ATOM 1350 CZ ARG A 122 -12.221 -5.358 4.321 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -11.244 -4.747 4.977 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -13.485 -5.069 4.602 1.00 0.00 N ATOM 0 H ARG A 122 -11.598 -9.110 1.983 1.00 0.00 H new ATOM 0 HA ARG A 122 -9.176 -9.922 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.763 -8.604 4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.601 -9.114 5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -9.850 -6.974 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -8.903 -7.757 3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.976 -5.732 2.873 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.592 -7.156 2.057 1.00 0.00 H new ATOM 0 HE ARG A 122 -12.710 -6.707 2.897 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -10.271 -4.966 4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -11.465 -4.058 5.696 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -14.239 -5.536 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -13.703 -4.380 5.321 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.927 -11.649 3.828 1.00 0.00 N ATOM 1367 CA ARG A 123 -12.433 -12.904 4.372 1.00 0.00 C ATOM 1368 C ARG A 123 -11.666 -14.093 3.801 1.00 0.00 C ATOM 1369 O ARG A 123 -11.597 -15.154 4.419 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.925 -13.051 4.067 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.817 -12.220 4.974 1.00 0.00 C ATOM 1372 CD ARG A 123 -16.193 -12.011 4.362 1.00 0.00 C ATOM 1373 NE ARG A 123 -17.077 -11.256 5.246 1.00 0.00 N ATOM 1374 CZ ARG A 123 -18.402 -11.300 5.174 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -18.995 -12.061 4.263 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -19.139 -10.584 6.014 1.00 0.00 N ATOM 0 H ARG A 123 -12.623 -11.092 3.332 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.290 -12.887 5.452 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.105 -12.763 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -14.204 -14.101 4.159 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -14.918 -12.715 5.940 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -14.349 -11.253 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -16.091 -11.483 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -16.642 -12.979 4.141 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.653 -10.662 5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -18.433 -12.614 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -20.013 -12.093 4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.688 -9.998 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -20.157 -10.619 5.957 1.00 0.00 H new ATOM 1390 N GLY A 124 -11.091 -13.906 2.617 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.337 -14.972 1.982 1.00 0.00 C ATOM 1392 C GLY A 124 -11.230 -15.977 1.283 1.00 0.00 C ATOM 1393 O GLY A 124 -11.379 -17.109 1.740 1.00 0.00 O ATOM 0 H GLY A 124 -11.134 -13.036 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.644 -14.542 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.736 -15.485 2.733 1.00 0.00 H new ATOM 1397 N SER A 125 -11.829 -15.561 0.171 1.00 0.00 N ATOM 1398 CA SER A 125 -12.717 -16.432 -0.591 1.00 0.00 C ATOM 1399 C SER A 125 -12.307 -16.476 -2.060 1.00 0.00 C ATOM 1400 O SER A 125 -11.744 -15.518 -2.587 1.00 0.00 O ATOM 1401 CB SER A 125 -14.164 -15.952 -0.467 1.00 0.00 C ATOM 1402 OG SER A 125 -14.381 -14.782 -1.237 1.00 0.00 O ATOM 0 H SER A 125 -11.715 -14.627 -0.222 1.00 0.00 H new ATOM 0 HA SER A 125 -12.639 -17.439 -0.181 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.841 -16.739 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.395 -15.751 0.579 1.00 0.00 H new ATOM 0 HG SER A 125 -15.340 -14.676 -1.407 1.00 0.00 H new ATOM 1408 N GLY A 126 -12.595 -17.596 -2.715 1.00 0.00 N ATOM 1409 CA GLY A 126 -12.249 -17.746 -4.116 1.00 0.00 C ATOM 1410 C GLY A 126 -12.009 -19.191 -4.503 1.00 0.00 C ATOM 1411 O GLY A 126 -11.193 -19.890 -3.901 1.00 0.00 O ATOM 0 H GLY A 126 -13.062 -18.402 -2.300 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -13.051 -17.337 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -11.354 -17.162 -4.330 1.00 0.00 H new ATOM 1415 N PRO A 127 -12.732 -19.662 -5.530 1.00 0.00 N ATOM 1416 CA PRO A 127 -12.612 -21.038 -6.019 1.00 0.00 C ATOM 1417 C PRO A 127 -11.279 -21.292 -6.714 1.00 0.00 C ATOM 1418 O PRO A 127 -10.948 -22.430 -7.047 1.00 0.00 O ATOM 1419 CB PRO A 127 -13.767 -21.164 -7.015 1.00 0.00 C ATOM 1420 CG PRO A 127 -14.027 -19.770 -7.471 1.00 0.00 C ATOM 1421 CD PRO A 127 -13.724 -18.885 -6.294 1.00 0.00 C ATOM 0 HA PRO A 127 -12.652 -21.763 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -13.500 -21.811 -7.851 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -14.650 -21.598 -6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.397 -19.515 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -15.062 -19.651 -7.792 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -13.324 -17.921 -6.608 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -14.617 -18.682 -5.703 1.00 0.00 H new ATOM 1429 N SER A 128 -10.517 -20.224 -6.931 1.00 0.00 N ATOM 1430 CA SER A 128 -9.221 -20.331 -7.591 1.00 0.00 C ATOM 1431 C SER A 128 -8.126 -20.672 -6.585 1.00 0.00 C ATOM 1432 O SER A 128 -7.863 -19.910 -5.655 1.00 0.00 O ATOM 1433 CB SER A 128 -8.881 -19.024 -8.308 1.00 0.00 C ATOM 1434 OG SER A 128 -9.915 -18.647 -9.200 1.00 0.00 O ATOM 0 H SER A 128 -10.775 -19.275 -6.659 1.00 0.00 H new ATOM 0 HA SER A 128 -9.280 -21.135 -8.325 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.724 -18.234 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.947 -19.140 -8.858 1.00 0.00 H new ATOM 0 HG SER A 128 -9.674 -17.807 -9.644 1.00 0.00 H new ATOM 1440 N SER A 129 -7.491 -21.824 -6.778 1.00 0.00 N ATOM 1441 CA SER A 129 -6.426 -22.269 -5.886 1.00 0.00 C ATOM 1442 C SER A 129 -5.261 -21.285 -5.898 1.00 0.00 C ATOM 1443 O SER A 129 -4.847 -20.783 -4.853 1.00 0.00 O ATOM 1444 CB SER A 129 -5.938 -23.660 -6.295 1.00 0.00 C ATOM 1445 OG SER A 129 -6.971 -24.621 -6.166 1.00 0.00 O ATOM 0 H SER A 129 -7.695 -22.466 -7.544 1.00 0.00 H new ATOM 0 HA SER A 129 -6.829 -22.316 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 129 -5.586 -23.637 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 129 -5.089 -23.948 -5.675 1.00 0.00 H new ATOM 0 HG SER A 129 -6.634 -25.501 -6.435 1.00 0.00 H new ATOM 1451 N GLY A 130 -4.735 -21.013 -7.088 1.00 0.00 N ATOM 1452 CA GLY A 130 -3.622 -20.091 -7.215 1.00 0.00 C ATOM 1453 C GLY A 130 -3.990 -18.679 -6.805 1.00 0.00 C ATOM 1454 O GLY A 130 -5.031 -18.160 -7.206 1.00 0.00 O ATOM 0 H GLY A 130 -5.060 -21.415 -7.967 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -2.793 -20.440 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -3.273 -20.087 -8.248 1.00 0.00 H new TER 1458 GLY A 130