USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.682 USER MOD Set 2.2: A 17 THR OG1 : rot 89:sc= 0.756 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 1.22 (180deg=1.14) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0478 USER MOD Single : A 15 GLN : amide:sc= -0.353 K(o=-0.35,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 15:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.199 USER MOD Single : A 25 THR OG1 : rot 138:sc= 1.28 USER MOD Single : A 31 GLN : amide:sc= -0.181 X(o=-0.18,f=0.12) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.486 F(o=-1.4,f=-0.49) USER MOD Single : A 34 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.018) USER MOD Single : A 37 MET CE :methyl 170:sc= -0.0957 (180deg=-0.26) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot -25:sc= 0.833 USER MOD Single : A 59 TYR OH : rot 28:sc= 0.128 USER MOD Single : A 70 ASN : amide:sc= -0.401 K(o=-0.4,f=-5.4!) USER MOD Single : A 72 MET CE :methyl 178:sc= -0.0504 (180deg=-0.0616) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 82 THR OG1 : rot 121:sc= 1.24 USER MOD Single : A 83 SER OG : rot 40:sc= 0.92 USER MOD Single : A 88 GLN : amide:sc= 0.548 K(o=0.55,f=-0.57) USER MOD Single : A 91 MET CE :methyl -177:sc= -2.43 (180deg=-2.56) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.565 X(o=-0.56,f=-1) USER MOD Single : A 105 MET CE :methyl 152:sc=-0.00473 (180deg=-0.785) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 115 SER OG : rot 29:sc= 0.0708 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.081 17.212 16.719 1.00 0.00 N ATOM 2 CA GLY A 1 47.625 17.425 16.625 1.00 0.00 C ATOM 3 C GLY A 1 46.887 16.614 17.668 1.00 0.00 C ATOM 4 O GLY A 1 46.902 15.386 17.620 1.00 0.00 O ATOM 0 H1 GLY A 1 49.563 17.780 15.993 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.414 17.501 17.661 1.00 0.00 H new ATOM 0 H3 GLY A 1 49.295 16.205 16.570 1.00 0.00 H new ATOM 0 HA2 GLY A 1 47.400 18.483 16.757 1.00 0.00 H new ATOM 0 HA3 GLY A 1 47.277 17.147 15.630 1.00 0.00 H new ATOM 10 N GLU A 2 46.230 17.270 18.625 1.00 0.00 N ATOM 11 CA GLU A 2 45.559 16.637 19.783 1.00 0.00 C ATOM 12 C GLU A 2 44.163 17.235 20.074 1.00 0.00 C ATOM 13 O GLU A 2 43.649 17.129 21.189 1.00 0.00 O ATOM 14 CB GLU A 2 46.497 16.687 21.011 1.00 0.00 C ATOM 15 CG GLU A 2 47.621 15.648 20.883 1.00 0.00 C ATOM 16 CD GLU A 2 48.557 15.588 22.094 1.00 0.00 C ATOM 17 OE1 GLU A 2 48.076 15.466 23.248 1.00 0.00 O ATOM 18 OE2 GLU A 2 49.794 15.620 21.895 1.00 0.00 O ATOM 0 H GLU A 2 46.142 18.286 18.625 1.00 0.00 H new ATOM 0 HA GLU A 2 45.365 15.593 19.536 1.00 0.00 H new ATOM 0 HB2 GLU A 2 46.927 17.684 21.105 1.00 0.00 H new ATOM 0 HB3 GLU A 2 45.924 16.500 21.919 1.00 0.00 H new ATOM 0 HG2 GLU A 2 47.177 14.664 20.732 1.00 0.00 H new ATOM 0 HG3 GLU A 2 48.209 15.872 19.993 1.00 0.00 H new ATOM 25 N GLU A 3 43.558 17.902 19.088 1.00 0.00 N ATOM 26 CA GLU A 3 42.448 18.855 19.256 1.00 0.00 C ATOM 27 C GLU A 3 41.114 18.218 19.694 1.00 0.00 C ATOM 28 O GLU A 3 40.771 17.092 19.316 1.00 0.00 O ATOM 29 CB GLU A 3 42.238 19.664 17.960 1.00 0.00 C ATOM 30 CG GLU A 3 43.339 20.688 17.636 1.00 0.00 C ATOM 31 CD GLU A 3 44.663 20.032 17.233 1.00 0.00 C ATOM 32 OE1 GLU A 3 44.738 19.483 16.103 1.00 0.00 O ATOM 33 OE2 GLU A 3 45.598 20.002 18.070 1.00 0.00 O ATOM 0 H GLU A 3 43.835 17.792 18.113 1.00 0.00 H new ATOM 0 HA GLU A 3 42.750 19.509 20.074 1.00 0.00 H new ATOM 0 HB2 GLU A 3 42.157 18.967 17.126 1.00 0.00 H new ATOM 0 HB3 GLU A 3 41.286 20.190 18.030 1.00 0.00 H new ATOM 0 HG2 GLU A 3 42.999 21.336 16.828 1.00 0.00 H new ATOM 0 HG3 GLU A 3 43.504 21.324 18.506 1.00 0.00 H new ATOM 40 N LEU A 4 40.340 18.993 20.460 1.00 0.00 N ATOM 41 CA LEU A 4 39.008 18.682 20.992 1.00 0.00 C ATOM 42 C LEU A 4 37.956 19.613 20.339 1.00 0.00 C ATOM 43 O LEU A 4 38.316 20.532 19.593 1.00 0.00 O ATOM 44 CB LEU A 4 39.045 18.835 22.530 1.00 0.00 C ATOM 45 CG LEU A 4 40.191 18.105 23.270 1.00 0.00 C ATOM 46 CD1 LEU A 4 40.233 18.509 24.744 1.00 0.00 C ATOM 47 CD2 LEU A 4 40.074 16.580 23.222 1.00 0.00 C ATOM 0 H LEU A 4 40.650 19.922 20.746 1.00 0.00 H new ATOM 0 HA LEU A 4 38.724 17.657 20.755 1.00 0.00 H new ATOM 0 HB2 LEU A 4 39.109 19.897 22.766 1.00 0.00 H new ATOM 0 HB3 LEU A 4 38.097 18.476 22.931 1.00 0.00 H new ATOM 0 HG LEU A 4 41.099 18.405 22.747 1.00 0.00 H new ATOM 0 HD11 LEU A 4 41.047 17.982 25.243 1.00 0.00 H new ATOM 0 HD12 LEU A 4 40.395 19.584 24.822 1.00 0.00 H new ATOM 0 HD13 LEU A 4 39.287 18.249 25.220 1.00 0.00 H new ATOM 0 HD21 LEU A 4 40.910 16.134 23.760 1.00 0.00 H new ATOM 0 HD22 LEU A 4 39.137 16.272 23.687 1.00 0.00 H new ATOM 0 HD23 LEU A 4 40.091 16.246 22.184 1.00 0.00 H new ATOM 59 N LYS A 5 36.658 19.414 20.607 1.00 0.00 N ATOM 60 CA LYS A 5 35.589 20.357 20.206 1.00 0.00 C ATOM 61 C LYS A 5 34.581 20.658 21.321 1.00 0.00 C ATOM 62 O LYS A 5 34.460 19.914 22.291 1.00 0.00 O ATOM 63 CB LYS A 5 34.906 19.917 18.899 1.00 0.00 C ATOM 64 CG LYS A 5 34.058 18.636 18.980 1.00 0.00 C ATOM 65 CD LYS A 5 33.114 18.613 17.770 1.00 0.00 C ATOM 66 CE LYS A 5 32.192 17.390 17.713 1.00 0.00 C ATOM 67 NZ LYS A 5 32.842 16.231 17.047 1.00 0.00 N ATOM 0 H LYS A 5 36.313 18.595 21.108 1.00 0.00 H new ATOM 0 HA LYS A 5 36.086 21.308 20.011 1.00 0.00 H new ATOM 0 HB2 LYS A 5 34.268 20.730 18.554 1.00 0.00 H new ATOM 0 HB3 LYS A 5 35.676 19.772 18.141 1.00 0.00 H new ATOM 0 HG2 LYS A 5 34.699 17.754 18.980 1.00 0.00 H new ATOM 0 HG3 LYS A 5 33.487 18.615 19.909 1.00 0.00 H new ATOM 0 HD2 LYS A 5 32.502 19.515 17.784 1.00 0.00 H new ATOM 0 HD3 LYS A 5 33.710 18.647 16.858 1.00 0.00 H new ATOM 0 HE2 LYS A 5 31.900 17.109 18.725 1.00 0.00 H new ATOM 0 HE3 LYS A 5 31.279 17.650 17.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 32.184 15.426 17.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 33.098 16.489 16.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 33.700 15.966 17.572 1.00 0.00 H new ATOM 81 N ILE A 6 33.874 21.772 21.155 1.00 0.00 N ATOM 82 CA ILE A 6 32.813 22.306 22.018 1.00 0.00 C ATOM 83 C ILE A 6 31.659 22.775 21.134 1.00 0.00 C ATOM 84 O ILE A 6 31.872 23.395 20.092 1.00 0.00 O ATOM 85 CB ILE A 6 33.350 23.442 22.926 1.00 0.00 C ATOM 86 CG1 ILE A 6 32.282 24.176 23.786 1.00 0.00 C ATOM 87 CG2 ILE A 6 34.147 24.481 22.125 1.00 0.00 C ATOM 88 CD1 ILE A 6 32.836 24.914 25.015 1.00 0.00 C ATOM 0 H ILE A 6 34.038 22.377 20.350 1.00 0.00 H new ATOM 0 HA ILE A 6 32.451 21.526 22.688 1.00 0.00 H new ATOM 0 HB ILE A 6 33.999 22.917 23.626 1.00 0.00 H new ATOM 0 HG12 ILE A 6 31.759 24.894 23.154 1.00 0.00 H new ATOM 0 HG13 ILE A 6 31.543 23.448 24.120 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.506 25.261 22.797 1.00 0.00 H new ATOM 0 HG22 ILE A 6 34.997 23.996 21.644 1.00 0.00 H new ATOM 0 HG23 ILE A 6 33.505 24.925 21.365 1.00 0.00 H new ATOM 0 HD11 ILE A 6 32.017 25.394 25.551 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.332 24.202 25.674 1.00 0.00 H new ATOM 0 HD13 ILE A 6 33.552 25.670 24.693 1.00 0.00 H new ATOM 100 N THR A 7 30.431 22.495 21.556 1.00 0.00 N ATOM 101 CA THR A 7 29.224 22.996 20.893 1.00 0.00 C ATOM 102 C THR A 7 28.438 23.868 21.851 1.00 0.00 C ATOM 103 O THR A 7 28.140 23.441 22.962 1.00 0.00 O ATOM 104 CB THR A 7 28.381 21.846 20.315 1.00 0.00 C ATOM 105 OG1 THR A 7 29.127 21.214 19.293 1.00 0.00 O ATOM 106 CG2 THR A 7 27.098 22.392 19.681 1.00 0.00 C ATOM 0 H THR A 7 30.240 21.912 22.371 1.00 0.00 H new ATOM 0 HA THR A 7 29.515 23.612 20.043 1.00 0.00 H new ATOM 0 HB THR A 7 28.130 21.153 21.118 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.604 20.477 18.915 1.00 0.00 H new ATOM 0 HG21 THR A 7 26.512 21.567 19.277 1.00 0.00 H new ATOM 0 HG22 THR A 7 26.513 22.916 20.437 1.00 0.00 H new ATOM 0 HG23 THR A 7 27.354 23.083 18.878 1.00 0.00 H new ATOM 114 N PHE A 8 28.085 25.072 21.413 1.00 0.00 N ATOM 115 CA PHE A 8 27.258 26.003 22.168 1.00 0.00 C ATOM 116 C PHE A 8 25.953 26.337 21.431 1.00 0.00 C ATOM 117 O PHE A 8 25.954 26.610 20.228 1.00 0.00 O ATOM 118 CB PHE A 8 28.032 27.274 22.555 1.00 0.00 C ATOM 119 CG PHE A 8 29.550 27.219 22.729 1.00 0.00 C ATOM 120 CD1 PHE A 8 30.355 27.032 21.587 1.00 0.00 C ATOM 121 CD2 PHE A 8 30.183 27.507 23.967 1.00 0.00 C ATOM 122 CE1 PHE A 8 31.746 27.078 21.680 1.00 0.00 C ATOM 123 CE2 PHE A 8 31.578 27.628 24.039 1.00 0.00 C ATOM 124 CZ PHE A 8 32.355 27.400 22.896 1.00 0.00 C ATOM 0 H PHE A 8 28.373 25.434 20.504 1.00 0.00 H new ATOM 0 HA PHE A 8 26.983 25.500 23.095 1.00 0.00 H new ATOM 0 HB2 PHE A 8 27.819 28.027 21.796 1.00 0.00 H new ATOM 0 HB3 PHE A 8 27.611 27.638 23.492 1.00 0.00 H new ATOM 0 HD1 PHE A 8 29.890 26.851 20.629 1.00 0.00 H new ATOM 0 HD2 PHE A 8 29.586 27.634 24.858 1.00 0.00 H new ATOM 0 HE1 PHE A 8 32.352 26.865 20.812 1.00 0.00 H new ATOM 0 HE2 PHE A 8 32.052 27.896 24.972 1.00 0.00 H new ATOM 0 HZ PHE A 8 33.431 27.473 22.955 1.00 0.00 H new ATOM 134 N ILE A 9 24.854 26.361 22.187 1.00 0.00 N ATOM 135 CA ILE A 9 23.566 26.944 21.775 1.00 0.00 C ATOM 136 C ILE A 9 23.536 28.400 22.227 1.00 0.00 C ATOM 137 O ILE A 9 23.788 28.681 23.399 1.00 0.00 O ATOM 138 CB ILE A 9 22.356 26.205 22.377 1.00 0.00 C ATOM 139 CG1 ILE A 9 22.542 24.678 22.231 1.00 0.00 C ATOM 140 CG2 ILE A 9 21.039 26.796 21.818 1.00 0.00 C ATOM 141 CD1 ILE A 9 21.287 23.827 22.403 1.00 0.00 C ATOM 0 H ILE A 9 24.829 25.967 23.127 1.00 0.00 H new ATOM 0 HA ILE A 9 23.488 26.855 20.691 1.00 0.00 H new ATOM 0 HB ILE A 9 22.286 26.366 23.453 1.00 0.00 H new ATOM 0 HG12 ILE A 9 22.960 24.477 21.245 1.00 0.00 H new ATOM 0 HG13 ILE A 9 23.281 24.351 22.963 1.00 0.00 H new ATOM 0 HG21 ILE A 9 20.190 26.266 22.250 1.00 0.00 H new ATOM 0 HG22 ILE A 9 20.976 27.853 22.076 1.00 0.00 H new ATOM 0 HG23 ILE A 9 21.022 26.685 20.734 1.00 0.00 H new ATOM 0 HD11 ILE A 9 21.541 22.774 22.279 1.00 0.00 H new ATOM 0 HD12 ILE A 9 20.874 23.985 23.399 1.00 0.00 H new ATOM 0 HD13 ILE A 9 20.548 24.113 21.654 1.00 0.00 H new ATOM 153 N LEU A 10 23.229 29.311 21.311 1.00 0.00 N ATOM 154 CA LEU A 10 23.368 30.751 21.499 1.00 0.00 C ATOM 155 C LEU A 10 22.156 31.380 22.201 1.00 0.00 C ATOM 156 O LEU A 10 21.053 30.830 22.179 1.00 0.00 O ATOM 157 CB LEU A 10 23.637 31.403 20.130 1.00 0.00 C ATOM 158 CG LEU A 10 24.866 30.911 19.340 1.00 0.00 C ATOM 159 CD1 LEU A 10 25.371 32.066 18.467 1.00 0.00 C ATOM 160 CD2 LEU A 10 26.045 30.478 20.211 1.00 0.00 C ATOM 0 H LEU A 10 22.866 29.062 20.391 1.00 0.00 H new ATOM 0 HA LEU A 10 24.211 30.934 22.165 1.00 0.00 H new ATOM 0 HB2 LEU A 10 22.755 31.255 19.507 1.00 0.00 H new ATOM 0 HB3 LEU A 10 23.743 32.477 20.283 1.00 0.00 H new ATOM 0 HG LEU A 10 24.531 30.041 18.775 1.00 0.00 H new ATOM 0 HD11 LEU A 10 26.242 31.739 17.899 1.00 0.00 H new ATOM 0 HD12 LEU A 10 24.583 32.374 17.779 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.647 32.908 19.102 1.00 0.00 H new ATOM 0 HD21 LEU A 10 26.865 30.147 19.574 1.00 0.00 H new ATOM 0 HD22 LEU A 10 26.375 31.319 20.821 1.00 0.00 H new ATOM 0 HD23 LEU A 10 25.736 29.659 20.860 1.00 0.00 H new ATOM 172 N LYS A 11 22.328 32.592 22.746 1.00 0.00 N ATOM 173 CA LYS A 11 21.232 33.397 23.316 1.00 0.00 C ATOM 174 C LYS A 11 20.186 33.856 22.294 1.00 0.00 C ATOM 175 O LYS A 11 19.047 34.106 22.686 1.00 0.00 O ATOM 176 CB LYS A 11 21.798 34.546 24.167 1.00 0.00 C ATOM 177 CG LYS A 11 22.801 35.490 23.481 1.00 0.00 C ATOM 178 CD LYS A 11 22.206 36.619 22.633 1.00 0.00 C ATOM 179 CE LYS A 11 23.335 37.438 21.992 1.00 0.00 C ATOM 180 NZ LYS A 11 22.814 38.422 21.018 1.00 0.00 N ATOM 0 H LYS A 11 23.239 33.048 22.806 1.00 0.00 H new ATOM 0 HA LYS A 11 20.667 32.737 23.975 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.962 35.144 24.529 1.00 0.00 H new ATOM 0 HB3 LYS A 11 22.283 34.113 25.042 1.00 0.00 H new ATOM 0 HG2 LYS A 11 23.431 35.937 24.251 1.00 0.00 H new ATOM 0 HG3 LYS A 11 23.452 34.892 22.844 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.561 36.204 21.859 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.584 37.264 23.254 1.00 0.00 H new ATOM 0 HE2 LYS A 11 23.894 37.958 22.770 1.00 0.00 H new ATOM 0 HE3 LYS A 11 24.033 36.766 21.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.577 38.709 20.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 22.041 37.993 20.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 22.457 39.257 21.525 1.00 0.00 H new ATOM 194 N ASP A 12 20.519 33.909 21.002 1.00 0.00 N ATOM 195 CA ASP A 12 19.550 34.063 19.898 1.00 0.00 C ATOM 196 C ASP A 12 19.178 32.715 19.229 1.00 0.00 C ATOM 197 O ASP A 12 18.576 32.678 18.154 1.00 0.00 O ATOM 198 CB ASP A 12 20.028 35.139 18.903 1.00 0.00 C ATOM 199 CG ASP A 12 20.084 36.544 19.518 1.00 0.00 C ATOM 200 OD1 ASP A 12 19.210 36.890 20.348 1.00 0.00 O ATOM 201 OD2 ASP A 12 20.999 37.327 19.160 1.00 0.00 O ATOM 0 H ASP A 12 21.485 33.846 20.681 1.00 0.00 H new ATOM 0 HA ASP A 12 18.612 34.419 20.324 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.018 34.870 18.534 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.360 35.152 18.042 1.00 0.00 H new ATOM 206 N GLY A 13 19.525 31.595 19.875 1.00 0.00 N ATOM 207 CA GLY A 13 19.136 30.225 19.527 1.00 0.00 C ATOM 208 C GLY A 13 19.900 29.566 18.374 1.00 0.00 C ATOM 209 O GLY A 13 19.541 28.447 18.001 1.00 0.00 O ATOM 0 H GLY A 13 20.120 31.624 20.703 1.00 0.00 H new ATOM 0 HA2 GLY A 13 19.254 29.602 20.414 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.075 30.225 19.276 1.00 0.00 H new ATOM 213 N SER A 14 20.938 30.211 17.830 1.00 0.00 N ATOM 214 CA SER A 14 21.893 29.614 16.880 1.00 0.00 C ATOM 215 C SER A 14 22.677 28.456 17.504 1.00 0.00 C ATOM 216 O SER A 14 22.779 28.332 18.723 1.00 0.00 O ATOM 217 CB SER A 14 22.893 30.651 16.308 1.00 0.00 C ATOM 218 OG SER A 14 22.431 31.979 16.501 1.00 0.00 O ATOM 0 H SER A 14 21.145 31.187 18.041 1.00 0.00 H new ATOM 0 HA SER A 14 21.283 29.233 16.061 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.863 30.528 16.791 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.041 30.467 15.244 1.00 0.00 H new ATOM 0 HG SER A 14 23.084 32.609 16.131 1.00 0.00 H new ATOM 224 N GLN A 15 23.281 27.630 16.661 1.00 0.00 N ATOM 225 CA GLN A 15 24.213 26.567 17.014 1.00 0.00 C ATOM 226 C GLN A 15 25.575 26.908 16.448 1.00 0.00 C ATOM 227 O GLN A 15 25.712 27.307 15.285 1.00 0.00 O ATOM 228 CB GLN A 15 23.753 25.229 16.420 1.00 0.00 C ATOM 229 CG GLN A 15 22.667 24.443 17.179 1.00 0.00 C ATOM 230 CD GLN A 15 21.513 25.243 17.780 1.00 0.00 C ATOM 231 OE1 GLN A 15 21.219 25.128 18.959 1.00 0.00 O ATOM 232 NE2 GLN A 15 20.786 26.039 17.031 1.00 0.00 N ATOM 0 H GLN A 15 23.125 27.687 15.655 1.00 0.00 H new ATOM 0 HA GLN A 15 24.256 26.477 18.099 1.00 0.00 H new ATOM 0 HB2 GLN A 15 23.386 25.419 15.411 1.00 0.00 H new ATOM 0 HB3 GLN A 15 24.628 24.586 16.325 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.246 23.705 16.496 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.151 23.892 17.985 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.009 26.154 16.042 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.998 26.543 17.438 1.00 0.00 H new ATOM 241 N LYS A 16 26.587 26.723 17.292 1.00 0.00 N ATOM 242 CA LYS A 16 27.970 26.961 16.950 1.00 0.00 C ATOM 243 C LYS A 16 28.807 25.852 17.541 1.00 0.00 C ATOM 244 O LYS A 16 28.832 25.634 18.749 1.00 0.00 O ATOM 245 CB LYS A 16 28.406 28.318 17.476 1.00 0.00 C ATOM 246 CG LYS A 16 27.675 29.503 16.822 1.00 0.00 C ATOM 247 CD LYS A 16 28.094 29.712 15.364 1.00 0.00 C ATOM 248 CE LYS A 16 27.834 31.149 14.911 1.00 0.00 C ATOM 249 NZ LYS A 16 28.304 31.351 13.524 1.00 0.00 N ATOM 0 H LYS A 16 26.457 26.397 18.250 1.00 0.00 H new ATOM 0 HA LYS A 16 28.099 26.968 15.868 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.239 28.350 18.553 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.478 28.432 17.316 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.599 29.333 16.868 1.00 0.00 H new ATOM 0 HG3 LYS A 16 27.879 30.411 17.390 1.00 0.00 H new ATOM 0 HD2 LYS A 16 29.153 29.479 15.251 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.545 29.022 14.723 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.768 31.369 14.975 1.00 0.00 H new ATOM 0 HE3 LYS A 16 28.344 31.844 15.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 28.119 32.333 13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 29.325 31.162 13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.799 30.701 12.888 1.00 0.00 H new ATOM 263 N THR A 17 29.479 25.162 16.649 1.00 0.00 N ATOM 264 CA THR A 17 30.437 24.093 16.979 1.00 0.00 C ATOM 265 C THR A 17 31.865 24.492 16.599 1.00 0.00 C ATOM 266 O THR A 17 32.117 24.900 15.463 1.00 0.00 O ATOM 267 CB THR A 17 30.008 22.731 16.414 1.00 0.00 C ATOM 268 OG1 THR A 17 30.789 21.720 17.009 1.00 0.00 O ATOM 269 CG2 THR A 17 30.145 22.599 14.901 1.00 0.00 C ATOM 0 H THR A 17 29.384 25.320 15.646 1.00 0.00 H new ATOM 0 HA THR A 17 30.433 23.965 18.061 1.00 0.00 H new ATOM 0 HB THR A 17 28.947 22.636 16.646 1.00 0.00 H new ATOM 0 HG1 THR A 17 30.357 21.417 17.835 1.00 0.00 H new ATOM 0 HG21 THR A 17 29.820 21.606 14.591 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.527 23.352 14.413 1.00 0.00 H new ATOM 0 HG23 THR A 17 31.187 22.745 14.616 1.00 0.00 H new ATOM 277 N TYR A 18 32.785 24.428 17.564 1.00 0.00 N ATOM 278 CA TYR A 18 34.118 25.052 17.540 1.00 0.00 C ATOM 279 C TYR A 18 35.211 24.094 18.044 1.00 0.00 C ATOM 280 O TYR A 18 34.979 23.290 18.946 1.00 0.00 O ATOM 281 CB TYR A 18 34.124 26.311 18.430 1.00 0.00 C ATOM 282 CG TYR A 18 33.323 27.528 17.966 1.00 0.00 C ATOM 283 CD1 TYR A 18 32.908 27.671 16.626 1.00 0.00 C ATOM 284 CD2 TYR A 18 33.023 28.561 18.877 1.00 0.00 C ATOM 285 CE1 TYR A 18 32.144 28.775 16.216 1.00 0.00 C ATOM 286 CE2 TYR A 18 32.302 29.694 18.455 1.00 0.00 C ATOM 287 CZ TYR A 18 31.861 29.810 17.123 1.00 0.00 C ATOM 288 OH TYR A 18 31.204 30.925 16.709 1.00 0.00 O ATOM 0 H TYR A 18 32.616 23.914 18.429 1.00 0.00 H new ATOM 0 HA TYR A 18 34.333 25.311 16.503 1.00 0.00 H new ATOM 0 HB2 TYR A 18 33.754 26.025 19.414 1.00 0.00 H new ATOM 0 HB3 TYR A 18 35.160 26.624 18.558 1.00 0.00 H new ATOM 0 HD1 TYR A 18 33.183 26.918 15.902 1.00 0.00 H new ATOM 0 HD2 TYR A 18 33.348 28.483 19.904 1.00 0.00 H new ATOM 0 HE1 TYR A 18 31.774 28.829 15.203 1.00 0.00 H new ATOM 0 HE2 TYR A 18 32.085 30.482 19.160 1.00 0.00 H new ATOM 0 HH TYR A 18 30.793 30.757 15.835 1.00 0.00 H new ATOM 298 N GLU A 19 36.433 24.234 17.524 1.00 0.00 N ATOM 299 CA GLU A 19 37.594 23.399 17.878 1.00 0.00 C ATOM 300 C GLU A 19 38.542 24.080 18.889 1.00 0.00 C ATOM 301 O GLU A 19 38.894 25.255 18.737 1.00 0.00 O ATOM 302 CB GLU A 19 38.298 22.934 16.592 1.00 0.00 C ATOM 303 CG GLU A 19 38.949 24.084 15.804 1.00 0.00 C ATOM 304 CD GLU A 19 39.288 23.749 14.345 1.00 0.00 C ATOM 305 OE1 GLU A 19 38.860 22.687 13.827 1.00 0.00 O ATOM 306 OE2 GLU A 19 39.952 24.594 13.697 1.00 0.00 O ATOM 0 H GLU A 19 36.652 24.947 16.828 1.00 0.00 H new ATOM 0 HA GLU A 19 37.238 22.515 18.407 1.00 0.00 H new ATOM 0 HB2 GLU A 19 39.062 22.201 16.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 37.574 22.429 15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 19 38.278 24.943 15.819 1.00 0.00 H new ATOM 0 HG3 GLU A 19 39.863 24.385 16.315 1.00 0.00 H new ATOM 313 N VAL A 20 38.944 23.348 19.936 1.00 0.00 N ATOM 314 CA VAL A 20 39.603 23.876 21.147 1.00 0.00 C ATOM 315 C VAL A 20 40.678 22.950 21.730 1.00 0.00 C ATOM 316 O VAL A 20 40.768 21.769 21.383 1.00 0.00 O ATOM 317 CB VAL A 20 38.556 24.168 22.242 1.00 0.00 C ATOM 318 CG1 VAL A 20 37.616 25.295 21.820 1.00 0.00 C ATOM 319 CG2 VAL A 20 37.711 22.944 22.629 1.00 0.00 C ATOM 0 H VAL A 20 38.817 22.336 19.969 1.00 0.00 H new ATOM 0 HA VAL A 20 40.105 24.790 20.828 1.00 0.00 H new ATOM 0 HB VAL A 20 39.136 24.463 23.117 1.00 0.00 H new ATOM 0 HG11 VAL A 20 36.889 25.478 22.611 1.00 0.00 H new ATOM 0 HG12 VAL A 20 38.193 26.202 21.640 1.00 0.00 H new ATOM 0 HG13 VAL A 20 37.094 25.010 20.907 1.00 0.00 H new ATOM 0 HG21 VAL A 20 36.997 23.225 23.403 1.00 0.00 H new ATOM 0 HG22 VAL A 20 37.173 22.582 21.753 1.00 0.00 H new ATOM 0 HG23 VAL A 20 38.363 22.156 23.005 1.00 0.00 H new ATOM 329 N CYS A 21 41.477 23.500 22.645 1.00 0.00 N ATOM 330 CA CYS A 21 42.490 22.790 23.423 1.00 0.00 C ATOM 331 C CYS A 21 41.973 22.323 24.799 1.00 0.00 C ATOM 332 O CYS A 21 40.946 22.765 25.312 1.00 0.00 O ATOM 333 CB CYS A 21 43.713 23.709 23.557 1.00 0.00 C ATOM 334 SG CYS A 21 45.209 22.744 23.932 1.00 0.00 S ATOM 0 H CYS A 21 41.433 24.493 22.873 1.00 0.00 H new ATOM 0 HA CYS A 21 42.762 21.874 22.899 1.00 0.00 H new ATOM 0 HB2 CYS A 21 43.857 24.267 22.632 1.00 0.00 H new ATOM 0 HB3 CYS A 21 43.539 24.440 24.346 1.00 0.00 H new ATOM 0 HG CYS A 21 46.227 23.545 24.038 1.00 0.00 H new ATOM 340 N GLU A 22 42.732 21.428 25.421 1.00 0.00 N ATOM 341 CA GLU A 22 42.598 20.937 26.784 1.00 0.00 C ATOM 342 C GLU A 22 42.896 22.029 27.847 1.00 0.00 C ATOM 343 O GLU A 22 43.774 22.878 27.659 1.00 0.00 O ATOM 344 CB GLU A 22 43.570 19.752 26.833 1.00 0.00 C ATOM 345 CG GLU A 22 43.395 18.846 28.040 1.00 0.00 C ATOM 346 CD GLU A 22 44.437 17.717 28.091 1.00 0.00 C ATOM 347 OE1 GLU A 22 45.410 17.721 27.297 1.00 0.00 O ATOM 348 OE2 GLU A 22 44.309 16.816 28.956 1.00 0.00 O ATOM 0 H GLU A 22 43.521 20.993 24.944 1.00 0.00 H new ATOM 0 HA GLU A 22 41.578 20.639 27.029 1.00 0.00 H new ATOM 0 HB2 GLU A 22 43.446 19.158 25.927 1.00 0.00 H new ATOM 0 HB3 GLU A 22 44.591 20.134 26.826 1.00 0.00 H new ATOM 0 HG2 GLU A 22 43.466 19.442 28.950 1.00 0.00 H new ATOM 0 HG3 GLU A 22 42.395 18.412 28.021 1.00 0.00 H new ATOM 355 N GLY A 23 42.179 22.033 28.980 1.00 0.00 N ATOM 356 CA GLY A 23 42.365 22.979 30.089 1.00 0.00 C ATOM 357 C GLY A 23 41.621 24.308 29.922 1.00 0.00 C ATOM 358 O GLY A 23 41.498 25.065 30.886 1.00 0.00 O ATOM 0 H GLY A 23 41.433 21.360 29.155 1.00 0.00 H new ATOM 0 HA2 GLY A 23 42.034 22.505 31.013 1.00 0.00 H new ATOM 0 HA3 GLY A 23 43.430 23.185 30.200 1.00 0.00 H new ATOM 362 N GLU A 24 41.087 24.598 28.734 1.00 0.00 N ATOM 363 CA GLU A 24 40.276 25.791 28.468 1.00 0.00 C ATOM 364 C GLU A 24 38.855 25.634 29.046 1.00 0.00 C ATOM 365 O GLU A 24 38.249 24.565 28.942 1.00 0.00 O ATOM 366 CB GLU A 24 40.268 26.097 26.955 1.00 0.00 C ATOM 367 CG GLU A 24 41.641 26.021 26.244 1.00 0.00 C ATOM 368 CD GLU A 24 42.680 27.059 26.695 1.00 0.00 C ATOM 369 OE1 GLU A 24 42.854 27.259 27.921 1.00 0.00 O ATOM 370 OE2 GLU A 24 43.458 27.592 25.871 1.00 0.00 O ATOM 0 H GLU A 24 41.207 24.002 27.915 1.00 0.00 H new ATOM 0 HA GLU A 24 40.722 26.647 28.974 1.00 0.00 H new ATOM 0 HB2 GLU A 24 39.588 25.399 26.466 1.00 0.00 H new ATOM 0 HB3 GLU A 24 39.859 27.097 26.808 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.057 25.026 26.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 41.482 26.135 25.172 1.00 0.00 H new ATOM 377 N THR A 25 38.342 26.682 29.692 1.00 0.00 N ATOM 378 CA THR A 25 37.053 26.730 30.415 1.00 0.00 C ATOM 379 C THR A 25 35.901 27.015 29.459 1.00 0.00 C ATOM 380 O THR A 25 36.042 27.795 28.523 1.00 0.00 O ATOM 381 CB THR A 25 37.084 27.828 31.476 1.00 0.00 C ATOM 382 OG1 THR A 25 38.378 28.089 31.964 1.00 0.00 O ATOM 383 CG2 THR A 25 36.211 27.525 32.675 1.00 0.00 C ATOM 0 H THR A 25 38.836 27.574 29.732 1.00 0.00 H new ATOM 0 HA THR A 25 36.902 25.758 30.884 1.00 0.00 H new ATOM 0 HB THR A 25 36.700 28.701 30.948 1.00 0.00 H new ATOM 0 HG1 THR A 25 38.507 29.057 32.048 1.00 0.00 H new ATOM 0 HG21 THR A 25 36.278 28.344 33.391 1.00 0.00 H new ATOM 0 HG22 THR A 25 35.176 27.410 32.352 1.00 0.00 H new ATOM 0 HG23 THR A 25 36.549 26.602 33.147 1.00 0.00 H new ATOM 391 N ILE A 26 34.710 26.486 29.734 1.00 0.00 N ATOM 392 CA ILE A 26 33.510 26.707 28.898 1.00 0.00 C ATOM 393 C ILE A 26 33.196 28.198 28.691 1.00 0.00 C ATOM 394 O ILE A 26 32.984 28.616 27.551 1.00 0.00 O ATOM 395 CB ILE A 26 32.325 25.938 29.519 1.00 0.00 C ATOM 396 CG1 ILE A 26 32.612 24.427 29.680 1.00 0.00 C ATOM 397 CG2 ILE A 26 31.046 26.135 28.703 1.00 0.00 C ATOM 398 CD1 ILE A 26 33.128 23.709 28.435 1.00 0.00 C ATOM 0 H ILE A 26 34.540 25.889 30.543 1.00 0.00 H new ATOM 0 HA ILE A 26 33.703 26.320 27.897 1.00 0.00 H new ATOM 0 HB ILE A 26 32.184 26.357 30.515 1.00 0.00 H new ATOM 0 HG12 ILE A 26 33.343 24.299 30.479 1.00 0.00 H new ATOM 0 HG13 ILE A 26 31.695 23.936 30.005 1.00 0.00 H new ATOM 0 HG21 ILE A 26 30.230 25.581 29.166 1.00 0.00 H new ATOM 0 HG22 ILE A 26 30.793 27.195 28.673 1.00 0.00 H new ATOM 0 HG23 ILE A 26 31.202 25.770 27.688 1.00 0.00 H new ATOM 0 HD11 ILE A 26 33.294 22.656 28.665 1.00 0.00 H new ATOM 0 HD12 ILE A 26 32.393 23.794 27.635 1.00 0.00 H new ATOM 0 HD13 ILE A 26 34.066 24.163 28.116 1.00 0.00 H new ATOM 410 N LEU A 27 33.247 29.024 29.747 1.00 0.00 N ATOM 411 CA LEU A 27 33.071 30.473 29.582 1.00 0.00 C ATOM 412 C LEU A 27 34.278 31.154 28.907 1.00 0.00 C ATOM 413 O LEU A 27 34.102 32.128 28.185 1.00 0.00 O ATOM 414 CB LEU A 27 32.627 31.159 30.883 1.00 0.00 C ATOM 415 CG LEU A 27 33.748 31.727 31.773 1.00 0.00 C ATOM 416 CD1 LEU A 27 33.100 32.623 32.811 1.00 0.00 C ATOM 417 CD2 LEU A 27 34.556 30.644 32.483 1.00 0.00 C ATOM 0 H LEU A 27 33.406 28.720 30.708 1.00 0.00 H new ATOM 0 HA LEU A 27 32.246 30.605 28.882 1.00 0.00 H new ATOM 0 HB2 LEU A 27 31.949 31.973 30.626 1.00 0.00 H new ATOM 0 HB3 LEU A 27 32.055 30.441 31.470 1.00 0.00 H new ATOM 0 HG LEU A 27 34.446 32.271 31.136 1.00 0.00 H new ATOM 0 HD11 LEU A 27 33.869 33.043 33.460 1.00 0.00 H new ATOM 0 HD12 LEU A 27 32.566 33.431 32.311 1.00 0.00 H new ATOM 0 HD13 LEU A 27 32.399 32.040 33.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 35.330 31.109 33.094 1.00 0.00 H new ATOM 0 HD22 LEU A 27 33.895 30.056 33.120 1.00 0.00 H new ATOM 0 HD23 LEU A 27 35.021 29.993 31.743 1.00 0.00 H new ATOM 429 N ASP A 28 35.490 30.622 29.080 1.00 0.00 N ATOM 430 CA ASP A 28 36.712 31.129 28.446 1.00 0.00 C ATOM 431 C ASP A 28 36.799 30.800 26.953 1.00 0.00 C ATOM 432 O ASP A 28 37.556 31.451 26.238 1.00 0.00 O ATOM 433 CB ASP A 28 37.951 30.585 29.157 1.00 0.00 C ATOM 434 CG ASP A 28 38.205 31.299 30.490 1.00 0.00 C ATOM 435 OD1 ASP A 28 38.446 32.530 30.470 1.00 0.00 O ATOM 436 OD2 ASP A 28 38.174 30.648 31.558 1.00 0.00 O ATOM 0 H ASP A 28 35.654 29.811 29.676 1.00 0.00 H new ATOM 0 HA ASP A 28 36.671 32.214 28.538 1.00 0.00 H new ATOM 0 HB2 ASP A 28 37.828 29.517 29.335 1.00 0.00 H new ATOM 0 HB3 ASP A 28 38.821 30.702 28.511 1.00 0.00 H new ATOM 441 N ILE A 29 36.034 29.819 26.463 1.00 0.00 N ATOM 442 CA ILE A 29 35.827 29.611 25.024 1.00 0.00 C ATOM 443 C ILE A 29 34.672 30.482 24.530 1.00 0.00 C ATOM 444 O ILE A 29 34.770 31.072 23.458 1.00 0.00 O ATOM 445 CB ILE A 29 35.647 28.120 24.637 1.00 0.00 C ATOM 446 CG1 ILE A 29 36.717 27.196 25.283 1.00 0.00 C ATOM 447 CG2 ILE A 29 35.843 28.073 23.105 1.00 0.00 C ATOM 448 CD1 ILE A 29 36.236 25.771 25.551 1.00 0.00 C ATOM 0 H ILE A 29 35.541 29.147 27.051 1.00 0.00 H new ATOM 0 HA ILE A 29 36.739 29.923 24.516 1.00 0.00 H new ATOM 0 HB ILE A 29 34.673 27.768 24.978 1.00 0.00 H new ATOM 0 HG12 ILE A 29 37.588 27.156 24.629 1.00 0.00 H new ATOM 0 HG13 ILE A 29 37.044 27.640 26.223 1.00 0.00 H new ATOM 0 HG21 ILE A 29 35.730 27.047 22.755 1.00 0.00 H new ATOM 0 HG22 ILE A 29 35.097 28.705 22.623 1.00 0.00 H new ATOM 0 HG23 ILE A 29 36.840 28.434 22.855 1.00 0.00 H new ATOM 0 HD11 ILE A 29 37.043 25.193 26.002 1.00 0.00 H new ATOM 0 HD12 ILE A 29 35.384 25.796 26.231 1.00 0.00 H new ATOM 0 HD13 ILE A 29 35.937 25.305 24.612 1.00 0.00 H new ATOM 460 N ALA A 30 33.606 30.666 25.315 1.00 0.00 N ATOM 461 CA ALA A 30 32.537 31.580 24.917 1.00 0.00 C ATOM 462 C ALA A 30 33.034 33.038 24.781 1.00 0.00 C ATOM 463 O ALA A 30 32.672 33.747 23.838 1.00 0.00 O ATOM 464 CB ALA A 30 31.391 31.471 25.929 1.00 0.00 C ATOM 0 H ALA A 30 33.463 30.203 26.213 1.00 0.00 H new ATOM 0 HA ALA A 30 32.180 31.292 23.928 1.00 0.00 H new ATOM 0 HB1 ALA A 30 30.587 32.149 25.642 1.00 0.00 H new ATOM 0 HB2 ALA A 30 31.015 30.448 25.944 1.00 0.00 H new ATOM 0 HB3 ALA A 30 31.755 31.739 26.921 1.00 0.00 H new ATOM 470 N GLN A 31 33.931 33.459 25.673 1.00 0.00 N ATOM 471 CA GLN A 31 34.689 34.699 25.548 1.00 0.00 C ATOM 472 C GLN A 31 35.829 34.585 24.542 1.00 0.00 C ATOM 473 O GLN A 31 35.847 35.375 23.611 1.00 0.00 O ATOM 474 CB GLN A 31 35.198 35.147 26.912 1.00 0.00 C ATOM 475 CG GLN A 31 34.112 35.540 27.930 1.00 0.00 C ATOM 476 CD GLN A 31 32.852 36.182 27.358 1.00 0.00 C ATOM 477 OE1 GLN A 31 31.806 35.559 27.229 1.00 0.00 O ATOM 478 NE2 GLN A 31 32.876 37.451 27.030 1.00 0.00 N ATOM 0 H GLN A 31 34.154 32.935 26.519 1.00 0.00 H new ATOM 0 HA GLN A 31 34.011 35.460 25.161 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.797 34.342 27.339 1.00 0.00 H new ATOM 0 HB3 GLN A 31 35.863 35.999 26.770 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.821 34.646 28.482 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.551 36.230 28.650 1.00 0.00 H new ATOM 0 HE21 GLN A 31 33.738 37.987 27.130 1.00 0.00 H new ATOM 0 HE22 GLN A 31 32.033 37.902 26.675 1.00 0.00 H new ATOM 487 N GLY A 32 36.730 33.606 24.641 1.00 0.00 N ATOM 488 CA GLY A 32 37.895 33.491 23.752 1.00 0.00 C ATOM 489 C GLY A 32 37.533 33.419 22.267 1.00 0.00 C ATOM 490 O GLY A 32 38.129 34.127 21.455 1.00 0.00 O ATOM 0 H GLY A 32 36.675 32.866 25.341 1.00 0.00 H new ATOM 0 HA2 GLY A 32 38.551 34.346 23.916 1.00 0.00 H new ATOM 0 HA3 GLY A 32 38.460 32.599 24.022 1.00 0.00 H new ATOM 494 N HIS A 33 36.467 32.693 21.910 1.00 0.00 N ATOM 495 CA HIS A 33 36.005 32.607 20.517 1.00 0.00 C ATOM 496 C HIS A 33 35.136 33.807 20.115 1.00 0.00 C ATOM 497 O HIS A 33 34.731 33.937 18.956 1.00 0.00 O ATOM 498 CB HIS A 33 35.271 31.278 20.288 1.00 0.00 C ATOM 499 CG HIS A 33 35.575 30.698 18.913 1.00 0.00 C ATOM 500 ND1 HIS A 33 35.024 31.076 17.714 1.00 0.00 N flip ATOM 501 CD2 HIS A 33 36.565 29.786 18.607 1.00 0.00 C flip ATOM 502 CE1 HIS A 33 35.666 30.387 16.672 1.00 0.00 C flip ATOM 503 NE2 HIS A 33 36.593 29.619 17.274 1.00 0.00 N flip ATOM 0 H HIS A 33 35.905 32.154 22.569 1.00 0.00 H new ATOM 0 HA HIS A 33 36.883 32.638 19.872 1.00 0.00 H new ATOM 0 HB2 HIS A 33 35.563 30.563 21.057 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.197 31.433 20.388 1.00 0.00 H new ATOM 0 HD2 HIS A 33 37.208 29.290 19.319 1.00 0.00 H new ATOM 0 HE1 HIS A 33 35.460 30.458 15.614 1.00 0.00 H new ATOM 0 HE2 HIS A 33 37.232 28.993 16.783 1.00 0.00 H new ATOM 511 N ASN A 34 34.834 34.682 21.078 1.00 0.00 N ATOM 512 CA ASN A 34 33.948 35.832 20.960 1.00 0.00 C ATOM 513 C ASN A 34 32.588 35.423 20.378 1.00 0.00 C ATOM 514 O ASN A 34 32.110 35.965 19.381 1.00 0.00 O ATOM 515 CB ASN A 34 34.685 36.988 20.275 1.00 0.00 C ATOM 516 CG ASN A 34 35.574 37.732 21.262 1.00 0.00 C ATOM 517 OD1 ASN A 34 35.243 38.817 21.720 1.00 0.00 O ATOM 518 ND2 ASN A 34 36.682 37.170 21.690 1.00 0.00 N ATOM 0 H ASN A 34 35.228 34.597 22.015 1.00 0.00 H new ATOM 0 HA ASN A 34 33.681 36.229 21.940 1.00 0.00 H new ATOM 0 HB2 ASN A 34 35.290 36.602 19.455 1.00 0.00 H new ATOM 0 HB3 ASN A 34 33.962 37.678 19.840 1.00 0.00 H new ATOM 0 HD21 ASN A 34 37.252 37.638 22.394 1.00 0.00 H new ATOM 0 HD22 ASN A 34 36.972 36.266 21.318 1.00 0.00 H new ATOM 525 N LEU A 35 31.970 34.444 21.042 1.00 0.00 N ATOM 526 CA LEU A 35 30.583 34.031 20.765 1.00 0.00 C ATOM 527 C LEU A 35 29.623 35.220 20.887 1.00 0.00 C ATOM 528 O LEU A 35 29.775 36.073 21.769 1.00 0.00 O ATOM 529 CB LEU A 35 30.117 32.920 21.743 1.00 0.00 C ATOM 530 CG LEU A 35 30.516 31.501 21.295 1.00 0.00 C ATOM 531 CD1 LEU A 35 30.270 30.427 22.362 1.00 0.00 C ATOM 532 CD2 LEU A 35 29.721 31.093 20.053 1.00 0.00 C ATOM 0 H LEU A 35 32.414 33.911 21.790 1.00 0.00 H new ATOM 0 HA LEU A 35 30.566 33.645 19.746 1.00 0.00 H new ATOM 0 HB2 LEU A 35 30.540 33.114 22.729 1.00 0.00 H new ATOM 0 HB3 LEU A 35 29.033 32.969 21.846 1.00 0.00 H new ATOM 0 HG LEU A 35 31.586 31.553 21.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 30.574 29.454 21.976 1.00 0.00 H new ATOM 0 HD12 LEU A 35 30.851 30.661 23.254 1.00 0.00 H new ATOM 0 HD13 LEU A 35 29.210 30.402 22.615 1.00 0.00 H new ATOM 0 HD21 LEU A 35 30.013 30.088 19.748 1.00 0.00 H new ATOM 0 HD22 LEU A 35 28.655 31.107 20.282 1.00 0.00 H new ATOM 0 HD23 LEU A 35 29.927 31.793 19.243 1.00 0.00 H new ATOM 544 N ASP A 36 28.610 35.239 20.019 1.00 0.00 N ATOM 545 CA ASP A 36 27.472 36.152 20.099 1.00 0.00 C ATOM 546 C ASP A 36 26.575 35.778 21.269 1.00 0.00 C ATOM 547 O ASP A 36 25.612 35.016 21.166 1.00 0.00 O ATOM 548 CB ASP A 36 26.730 36.197 18.757 1.00 0.00 C ATOM 549 CG ASP A 36 25.486 37.093 18.803 1.00 0.00 C ATOM 550 OD1 ASP A 36 25.545 38.202 19.379 1.00 0.00 O ATOM 551 OD2 ASP A 36 24.433 36.662 18.268 1.00 0.00 O ATOM 0 H ASP A 36 28.558 34.604 19.222 1.00 0.00 H new ATOM 0 HA ASP A 36 27.826 37.165 20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 36 27.407 36.560 17.983 1.00 0.00 H new ATOM 0 HB3 ASP A 36 26.436 35.186 18.474 1.00 0.00 H new ATOM 556 N MET A 37 26.980 36.292 22.422 1.00 0.00 N ATOM 557 CA MET A 37 26.524 35.853 23.717 1.00 0.00 C ATOM 558 C MET A 37 26.551 37.052 24.679 1.00 0.00 C ATOM 559 O MET A 37 27.558 37.753 24.838 1.00 0.00 O ATOM 560 CB MET A 37 27.349 34.606 24.106 1.00 0.00 C ATOM 561 CG MET A 37 28.694 34.865 24.787 1.00 0.00 C ATOM 562 SD MET A 37 28.616 35.219 26.568 1.00 0.00 S ATOM 563 CE MET A 37 28.020 33.655 27.261 1.00 0.00 C ATOM 0 H MET A 37 27.658 37.052 22.474 1.00 0.00 H new ATOM 0 HA MET A 37 25.486 35.521 23.742 1.00 0.00 H new ATOM 0 HB2 MET A 37 26.743 33.989 24.770 1.00 0.00 H new ATOM 0 HB3 MET A 37 27.530 34.021 23.204 1.00 0.00 H new ATOM 0 HG2 MET A 37 29.332 33.994 24.635 1.00 0.00 H new ATOM 0 HG3 MET A 37 29.178 35.705 24.288 1.00 0.00 H new ATOM 0 HE1 MET A 37 28.100 33.685 28.348 1.00 0.00 H new ATOM 0 HE2 MET A 37 26.978 33.505 26.977 1.00 0.00 H new ATOM 0 HE3 MET A 37 28.623 32.833 26.875 1.00 0.00 H new ATOM 573 N GLU A 38 25.390 37.330 25.261 1.00 0.00 N ATOM 574 CA GLU A 38 25.228 38.317 26.330 1.00 0.00 C ATOM 575 C GLU A 38 25.949 37.837 27.601 1.00 0.00 C ATOM 576 O GLU A 38 25.810 36.684 28.011 1.00 0.00 O ATOM 577 CB GLU A 38 23.753 38.709 26.538 1.00 0.00 C ATOM 578 CG GLU A 38 22.822 37.609 27.073 1.00 0.00 C ATOM 579 CD GLU A 38 21.380 38.112 27.255 1.00 0.00 C ATOM 580 OE1 GLU A 38 21.176 39.187 27.872 1.00 0.00 O ATOM 581 OE2 GLU A 38 20.427 37.442 26.792 1.00 0.00 O ATOM 0 H GLU A 38 24.518 36.870 25.001 1.00 0.00 H new ATOM 0 HA GLU A 38 25.710 39.249 26.035 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.718 39.552 27.228 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.355 39.060 25.586 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.827 36.764 26.385 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.202 37.245 28.028 1.00 0.00 H new ATOM 588 N GLY A 39 26.784 38.702 28.180 1.00 0.00 N ATOM 589 CA GLY A 39 27.853 38.303 29.094 1.00 0.00 C ATOM 590 C GLY A 39 27.350 37.658 30.379 1.00 0.00 C ATOM 591 O GLY A 39 26.768 38.344 31.224 1.00 0.00 O ATOM 0 H GLY A 39 26.736 39.709 28.025 1.00 0.00 H new ATOM 0 HA2 GLY A 39 28.515 37.605 28.582 1.00 0.00 H new ATOM 0 HA3 GLY A 39 28.449 39.180 29.347 1.00 0.00 H new ATOM 595 N ALA A 40 27.619 36.363 30.552 1.00 0.00 N ATOM 596 CA ALA A 40 27.294 35.618 31.766 1.00 0.00 C ATOM 597 C ALA A 40 28.352 35.856 32.853 1.00 0.00 C ATOM 598 O ALA A 40 28.013 36.213 33.979 1.00 0.00 O ATOM 599 CB ALA A 40 27.159 34.131 31.410 1.00 0.00 C ATOM 0 H ALA A 40 28.077 35.794 29.840 1.00 0.00 H new ATOM 0 HA ALA A 40 26.346 35.968 32.175 1.00 0.00 H new ATOM 0 HB1 ALA A 40 26.916 33.563 32.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 26.365 34.004 30.674 1.00 0.00 H new ATOM 0 HB3 ALA A 40 28.100 33.769 30.995 1.00 0.00 H new ATOM 605 N CYS A 41 29.631 35.693 32.506 1.00 0.00 N ATOM 606 CA CYS A 41 30.778 36.074 33.330 1.00 0.00 C ATOM 607 C CYS A 41 32.032 36.286 32.453 1.00 0.00 C ATOM 608 O CYS A 41 31.941 36.850 31.358 1.00 0.00 O ATOM 609 CB CYS A 41 30.969 35.041 34.461 1.00 0.00 C ATOM 610 SG CYS A 41 32.273 35.425 35.648 1.00 0.00 S ATOM 0 H CYS A 41 29.904 35.279 31.615 1.00 0.00 H new ATOM 0 HA CYS A 41 30.595 37.034 33.813 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.028 34.941 35.001 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.184 34.071 34.012 1.00 0.00 H new ATOM 615 N GLY A 42 33.187 35.797 32.904 1.00 0.00 N ATOM 616 CA GLY A 42 34.520 36.047 32.349 1.00 0.00 C ATOM 617 C GLY A 42 35.543 36.579 33.363 1.00 0.00 C ATOM 618 O GLY A 42 36.539 37.188 32.974 1.00 0.00 O ATOM 0 H GLY A 42 33.221 35.179 33.715 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.901 35.120 31.920 1.00 0.00 H new ATOM 0 HA3 GLY A 42 34.431 36.763 31.532 1.00 0.00 H new ATOM 622 N GLY A 43 35.341 36.331 34.661 1.00 0.00 N ATOM 623 CA GLY A 43 36.395 36.523 35.662 1.00 0.00 C ATOM 624 C GLY A 43 36.673 37.988 36.000 1.00 0.00 C ATOM 625 O GLY A 43 37.835 38.376 36.145 1.00 0.00 O ATOM 0 H GLY A 43 34.456 35.997 35.043 1.00 0.00 H new ATOM 0 HA2 GLY A 43 36.115 35.997 36.575 1.00 0.00 H new ATOM 0 HA3 GLY A 43 37.314 36.064 35.299 1.00 0.00 H new ATOM 629 N SER A 44 35.622 38.803 36.111 1.00 0.00 N ATOM 630 CA SER A 44 35.677 40.165 36.658 1.00 0.00 C ATOM 631 C SER A 44 36.082 40.176 38.142 1.00 0.00 C ATOM 632 O SER A 44 36.127 39.126 38.790 1.00 0.00 O ATOM 633 CB SER A 44 34.322 40.861 36.460 1.00 0.00 C ATOM 634 OG SER A 44 33.301 40.218 37.208 1.00 0.00 O ATOM 0 H SER A 44 34.685 38.530 35.816 1.00 0.00 H new ATOM 0 HA SER A 44 36.447 40.713 36.114 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.398 41.905 36.766 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.059 40.857 35.402 1.00 0.00 H new ATOM 0 HG SER A 44 32.450 40.682 37.065 1.00 0.00 H new ATOM 640 N CYS A 45 36.359 41.353 38.709 1.00 0.00 N ATOM 641 CA CYS A 45 36.792 41.503 40.106 1.00 0.00 C ATOM 642 C CYS A 45 35.794 40.934 41.139 1.00 0.00 C ATOM 643 O CYS A 45 36.227 40.490 42.210 1.00 0.00 O ATOM 644 CB CYS A 45 37.067 42.987 40.374 1.00 0.00 C ATOM 645 SG CYS A 45 38.482 43.555 39.390 1.00 0.00 S ATOM 0 H CYS A 45 36.289 42.239 38.209 1.00 0.00 H new ATOM 0 HA CYS A 45 37.698 40.910 40.233 1.00 0.00 H new ATOM 0 HB2 CYS A 45 36.184 43.577 40.128 1.00 0.00 H new ATOM 0 HB3 CYS A 45 37.268 43.141 41.434 1.00 0.00 H new ATOM 0 HG CYS A 45 38.699 44.814 39.628 1.00 0.00 H new ATOM 651 N ALA A 46 34.497 40.888 40.816 1.00 0.00 N ATOM 652 CA ALA A 46 33.467 40.210 41.614 1.00 0.00 C ATOM 653 C ALA A 46 33.114 38.785 41.121 1.00 0.00 C ATOM 654 O ALA A 46 32.664 37.964 41.921 1.00 0.00 O ATOM 655 CB ALA A 46 32.230 41.114 41.641 1.00 0.00 C ATOM 0 H ALA A 46 34.125 41.330 39.975 1.00 0.00 H new ATOM 0 HA ALA A 46 33.864 40.054 42.617 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.444 40.638 42.227 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.489 42.072 42.092 1.00 0.00 H new ATOM 0 HB3 ALA A 46 31.875 41.276 40.623 1.00 0.00 H new ATOM 661 N CYS A 47 33.329 38.483 39.834 1.00 0.00 N ATOM 662 CA CYS A 47 32.751 37.337 39.109 1.00 0.00 C ATOM 663 C CYS A 47 31.193 37.351 39.056 1.00 0.00 C ATOM 664 O CYS A 47 30.522 37.994 39.873 1.00 0.00 O ATOM 665 CB CYS A 47 33.403 36.013 39.560 1.00 0.00 C ATOM 666 SG CYS A 47 34.422 35.138 38.343 1.00 0.00 S ATOM 0 H CYS A 47 33.935 39.052 39.243 1.00 0.00 H new ATOM 0 HA CYS A 47 33.011 37.438 38.055 1.00 0.00 H new ATOM 0 HB2 CYS A 47 34.022 36.221 40.433 1.00 0.00 H new ATOM 0 HB3 CYS A 47 32.610 35.339 39.885 1.00 0.00 H new ATOM 671 N SER A 48 30.608 36.705 38.040 1.00 0.00 N ATOM 672 CA SER A 48 29.200 36.898 37.622 1.00 0.00 C ATOM 673 C SER A 48 28.502 35.568 37.256 1.00 0.00 C ATOM 674 O SER A 48 29.080 34.506 37.434 1.00 0.00 O ATOM 675 CB SER A 48 29.162 37.918 36.472 1.00 0.00 C ATOM 676 OG SER A 48 29.703 39.172 36.865 1.00 0.00 O ATOM 0 H SER A 48 31.103 36.019 37.470 1.00 0.00 H new ATOM 0 HA SER A 48 28.631 37.291 38.465 1.00 0.00 H new ATOM 0 HB2 SER A 48 29.723 37.530 35.622 1.00 0.00 H new ATOM 0 HB3 SER A 48 28.133 38.054 36.139 1.00 0.00 H new ATOM 0 HG SER A 48 29.665 39.796 36.110 1.00 0.00 H new ATOM 682 N THR A 49 27.244 35.574 36.790 1.00 0.00 N ATOM 683 CA THR A 49 26.350 34.387 36.839 1.00 0.00 C ATOM 684 C THR A 49 26.756 33.117 36.068 1.00 0.00 C ATOM 685 O THR A 49 26.192 32.064 36.346 1.00 0.00 O ATOM 686 CB THR A 49 24.894 34.722 36.463 1.00 0.00 C ATOM 687 OG1 THR A 49 24.804 35.254 35.156 1.00 0.00 O ATOM 688 CG2 THR A 49 24.264 35.737 37.412 1.00 0.00 C ATOM 0 H THR A 49 26.810 36.395 36.368 1.00 0.00 H new ATOM 0 HA THR A 49 26.459 34.128 37.892 1.00 0.00 H new ATOM 0 HB THR A 49 24.356 33.776 36.530 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.867 35.454 34.948 1.00 0.00 H new ATOM 0 HG21 THR A 49 23.238 35.937 37.102 1.00 0.00 H new ATOM 0 HG22 THR A 49 24.265 35.337 38.426 1.00 0.00 H new ATOM 0 HG23 THR A 49 24.838 36.663 37.387 1.00 0.00 H new ATOM 696 N CYS A 50 27.716 33.165 35.133 1.00 0.00 N ATOM 697 CA CYS A 50 28.402 31.979 34.569 1.00 0.00 C ATOM 698 C CYS A 50 27.497 30.826 34.060 1.00 0.00 C ATOM 699 O CYS A 50 27.867 29.652 34.113 1.00 0.00 O ATOM 700 CB CYS A 50 29.421 31.492 35.602 1.00 0.00 C ATOM 701 SG CYS A 50 30.951 30.723 35.030 1.00 0.00 S ATOM 0 H CYS A 50 28.048 34.044 34.736 1.00 0.00 H new ATOM 0 HA CYS A 50 28.883 32.309 33.648 1.00 0.00 H new ATOM 0 HB2 CYS A 50 29.694 32.346 36.222 1.00 0.00 H new ATOM 0 HB3 CYS A 50 28.916 30.776 36.250 1.00 0.00 H new ATOM 706 N HIS A 51 26.294 31.141 33.571 1.00 0.00 N ATOM 707 CA HIS A 51 25.187 30.182 33.565 1.00 0.00 C ATOM 708 C HIS A 51 25.118 29.397 32.243 1.00 0.00 C ATOM 709 O HIS A 51 24.657 29.902 31.215 1.00 0.00 O ATOM 710 CB HIS A 51 23.892 30.957 33.871 1.00 0.00 C ATOM 711 CG HIS A 51 22.652 30.103 33.973 1.00 0.00 C ATOM 712 ND1 HIS A 51 22.122 29.562 35.123 1.00 0.00 N ATOM 713 CD2 HIS A 51 21.800 29.783 32.950 1.00 0.00 C ATOM 714 CE1 HIS A 51 20.985 28.923 34.800 1.00 0.00 C ATOM 715 NE2 HIS A 51 20.734 29.047 33.484 1.00 0.00 N ATOM 0 H HIS A 51 26.063 32.052 33.175 1.00 0.00 H new ATOM 0 HA HIS A 51 25.339 29.424 34.333 1.00 0.00 H new ATOM 0 HB2 HIS A 51 24.022 31.498 34.809 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.739 31.703 33.091 1.00 0.00 H new ATOM 0 HD2 HIS A 51 21.928 30.051 31.912 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.361 28.386 35.498 1.00 0.00 H new ATOM 0 HE2 HIS A 51 19.929 28.679 32.977 1.00 0.00 H new ATOM 723 N VAL A 52 25.549 28.133 32.306 1.00 0.00 N ATOM 724 CA VAL A 52 25.424 27.106 31.257 1.00 0.00 C ATOM 725 C VAL A 52 24.543 25.952 31.709 1.00 0.00 C ATOM 726 O VAL A 52 24.295 25.714 32.895 1.00 0.00 O ATOM 727 CB VAL A 52 26.787 26.524 30.783 1.00 0.00 C ATOM 728 CG1 VAL A 52 27.263 27.181 29.498 1.00 0.00 C ATOM 729 CG2 VAL A 52 27.936 26.580 31.796 1.00 0.00 C ATOM 0 H VAL A 52 26.022 27.775 33.136 1.00 0.00 H new ATOM 0 HA VAL A 52 24.968 27.627 30.415 1.00 0.00 H new ATOM 0 HB VAL A 52 26.553 25.470 30.633 1.00 0.00 H new ATOM 0 HG11 VAL A 52 28.218 26.748 29.200 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.528 27.016 28.711 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.386 28.252 29.661 1.00 0.00 H new ATOM 0 HG21 VAL A 52 28.833 26.146 31.353 1.00 0.00 H new ATOM 0 HG22 VAL A 52 28.131 27.617 32.068 1.00 0.00 H new ATOM 0 HG23 VAL A 52 27.663 26.016 32.688 1.00 0.00 H new ATOM 739 N ILE A 53 24.121 25.166 30.730 1.00 0.00 N ATOM 740 CA ILE A 53 23.625 23.822 30.902 1.00 0.00 C ATOM 741 C ILE A 53 24.313 22.896 29.894 1.00 0.00 C ATOM 742 O ILE A 53 24.575 23.285 28.767 1.00 0.00 O ATOM 743 CB ILE A 53 22.095 23.858 30.832 1.00 0.00 C ATOM 744 CG1 ILE A 53 21.608 22.441 31.137 1.00 0.00 C ATOM 745 CG2 ILE A 53 21.605 24.457 29.505 1.00 0.00 C ATOM 746 CD1 ILE A 53 20.421 21.992 30.349 1.00 0.00 C ATOM 0 H ILE A 53 24.117 25.467 29.755 1.00 0.00 H new ATOM 0 HA ILE A 53 23.869 23.406 31.879 1.00 0.00 H new ATOM 0 HB ILE A 53 21.662 24.529 31.573 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.428 21.746 30.956 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.365 22.378 32.198 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.515 24.467 29.491 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.978 25.476 29.406 1.00 0.00 H new ATOM 0 HG23 ILE A 53 21.973 23.854 28.675 1.00 0.00 H new ATOM 0 HD11 ILE A 53 20.155 20.976 30.639 1.00 0.00 H new ATOM 0 HD12 ILE A 53 19.580 22.657 30.546 1.00 0.00 H new ATOM 0 HD13 ILE A 53 20.660 22.015 29.286 1.00 0.00 H new ATOM 758 N VAL A 54 24.630 21.677 30.315 1.00 0.00 N ATOM 759 CA VAL A 54 25.312 20.635 29.551 1.00 0.00 C ATOM 760 C VAL A 54 24.386 19.581 28.965 1.00 0.00 C ATOM 761 O VAL A 54 23.300 19.315 29.478 1.00 0.00 O ATOM 762 CB VAL A 54 26.392 20.051 30.461 1.00 0.00 C ATOM 763 CG1 VAL A 54 25.857 19.107 31.477 1.00 0.00 C ATOM 764 CG2 VAL A 54 27.527 19.276 29.777 1.00 0.00 C ATOM 0 H VAL A 54 24.403 21.369 31.260 1.00 0.00 H new ATOM 0 HA VAL A 54 25.761 21.075 28.660 1.00 0.00 H new ATOM 0 HB VAL A 54 26.789 20.969 30.894 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.676 18.729 32.089 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.138 19.625 32.112 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.365 18.274 30.976 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.226 18.914 30.531 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.112 18.429 29.231 1.00 0.00 H new ATOM 0 HG23 VAL A 54 28.050 19.934 29.083 1.00 0.00 H new ATOM 774 N ASP A 55 24.887 18.917 27.929 1.00 0.00 N ATOM 775 CA ASP A 55 24.381 17.626 27.480 1.00 0.00 C ATOM 776 C ASP A 55 24.319 16.619 28.658 1.00 0.00 C ATOM 777 O ASP A 55 25.324 16.461 29.369 1.00 0.00 O ATOM 778 CB ASP A 55 25.442 17.132 26.484 1.00 0.00 C ATOM 779 CG ASP A 55 25.062 15.926 25.627 1.00 0.00 C ATOM 780 OD1 ASP A 55 24.110 15.194 25.979 1.00 0.00 O ATOM 781 OD2 ASP A 55 25.723 15.726 24.580 1.00 0.00 O ATOM 0 H ASP A 55 25.666 19.265 27.370 1.00 0.00 H new ATOM 0 HA ASP A 55 23.379 17.711 27.059 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.696 17.957 25.819 1.00 0.00 H new ATOM 0 HB3 ASP A 55 26.345 16.883 27.042 1.00 0.00 H new ATOM 786 N PRO A 56 23.240 15.825 28.801 1.00 0.00 N ATOM 787 CA PRO A 56 23.178 14.718 29.756 1.00 0.00 C ATOM 788 C PRO A 56 24.239 13.635 29.541 1.00 0.00 C ATOM 789 O PRO A 56 24.468 12.835 30.448 1.00 0.00 O ATOM 790 CB PRO A 56 21.759 14.151 29.638 1.00 0.00 C ATOM 791 CG PRO A 56 20.947 15.366 29.202 1.00 0.00 C ATOM 792 CD PRO A 56 21.914 16.074 28.258 1.00 0.00 C ATOM 0 HA PRO A 56 23.397 15.087 30.758 1.00 0.00 H new ATOM 0 HB2 PRO A 56 21.705 13.344 28.907 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.405 13.746 30.586 1.00 0.00 H new ATOM 0 HG2 PRO A 56 20.023 15.080 28.700 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.669 15.995 30.047 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.826 15.686 27.243 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.704 17.142 28.210 1.00 0.00 H new ATOM 800 N ASP A 57 24.919 13.603 28.393 1.00 0.00 N ATOM 801 CA ASP A 57 26.077 12.739 28.154 1.00 0.00 C ATOM 802 C ASP A 57 27.316 13.213 28.922 1.00 0.00 C ATOM 803 O ASP A 57 27.996 12.387 29.537 1.00 0.00 O ATOM 804 CB ASP A 57 26.377 12.637 26.647 1.00 0.00 C ATOM 805 CG ASP A 57 25.845 11.329 26.071 1.00 0.00 C ATOM 806 OD1 ASP A 57 26.508 10.281 26.258 1.00 0.00 O ATOM 807 OD2 ASP A 57 24.726 11.322 25.502 1.00 0.00 O ATOM 0 H ASP A 57 24.677 14.185 27.591 1.00 0.00 H new ATOM 0 HA ASP A 57 25.824 11.747 28.528 1.00 0.00 H new ATOM 0 HB2 ASP A 57 25.924 13.479 26.125 1.00 0.00 H new ATOM 0 HB3 ASP A 57 27.452 12.701 26.482 1.00 0.00 H new ATOM 812 N TYR A 58 27.613 14.522 28.921 1.00 0.00 N ATOM 813 CA TYR A 58 28.891 15.005 29.408 1.00 0.00 C ATOM 814 C TYR A 58 28.851 15.498 30.853 1.00 0.00 C ATOM 815 O TYR A 58 29.858 15.338 31.532 1.00 0.00 O ATOM 816 CB TYR A 58 29.378 16.051 28.419 1.00 0.00 C ATOM 817 CG TYR A 58 29.765 15.450 27.082 1.00 0.00 C ATOM 818 CD1 TYR A 58 31.052 14.922 26.866 1.00 0.00 C ATOM 819 CD2 TYR A 58 28.798 15.365 26.070 1.00 0.00 C ATOM 820 CE1 TYR A 58 31.374 14.334 25.624 1.00 0.00 C ATOM 821 CE2 TYR A 58 29.113 14.800 24.826 1.00 0.00 C ATOM 822 CZ TYR A 58 30.404 14.276 24.597 1.00 0.00 C ATOM 823 OH TYR A 58 30.698 13.717 23.396 1.00 0.00 O ATOM 0 H TYR A 58 26.983 15.252 28.588 1.00 0.00 H new ATOM 0 HA TYR A 58 29.604 14.182 29.457 1.00 0.00 H new ATOM 0 HB2 TYR A 58 28.596 16.794 28.267 1.00 0.00 H new ATOM 0 HB3 TYR A 58 30.236 16.574 28.841 1.00 0.00 H new ATOM 0 HD1 TYR A 58 31.793 14.967 27.651 1.00 0.00 H new ATOM 0 HD2 TYR A 58 27.801 15.738 26.251 1.00 0.00 H new ATOM 0 HE1 TYR A 58 32.361 13.928 25.458 1.00 0.00 H new ATOM 0 HE2 TYR A 58 28.369 14.766 24.044 1.00 0.00 H new ATOM 0 HH TYR A 58 31.664 13.770 23.238 1.00 0.00 H new ATOM 833 N TYR A 59 27.702 15.980 31.364 1.00 0.00 N ATOM 834 CA TYR A 59 27.490 16.208 32.824 1.00 0.00 C ATOM 835 C TYR A 59 27.829 14.985 33.652 1.00 0.00 C ATOM 836 O TYR A 59 28.179 15.075 34.829 1.00 0.00 O ATOM 837 CB TYR A 59 26.005 16.371 33.164 1.00 0.00 C ATOM 838 CG TYR A 59 25.664 17.253 34.372 1.00 0.00 C ATOM 839 CD1 TYR A 59 26.164 18.563 34.480 1.00 0.00 C ATOM 840 CD2 TYR A 59 24.803 16.794 35.389 1.00 0.00 C ATOM 841 CE1 TYR A 59 25.748 19.434 35.486 1.00 0.00 C ATOM 842 CE2 TYR A 59 24.463 17.628 36.478 1.00 0.00 C ATOM 843 CZ TYR A 59 24.916 18.964 36.519 1.00 0.00 C ATOM 844 OH TYR A 59 24.527 19.817 37.500 1.00 0.00 O ATOM 0 H TYR A 59 26.895 16.224 30.790 1.00 0.00 H new ATOM 0 HA TYR A 59 28.107 17.081 33.038 1.00 0.00 H new ATOM 0 HB2 TYR A 59 25.500 16.782 32.290 1.00 0.00 H new ATOM 0 HB3 TYR A 59 25.586 15.380 33.338 1.00 0.00 H new ATOM 0 HD1 TYR A 59 26.893 18.905 33.761 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.399 15.794 35.335 1.00 0.00 H new ATOM 0 HE1 TYR A 59 26.063 20.467 35.473 1.00 0.00 H new ATOM 0 HE2 TYR A 59 23.854 17.242 37.282 1.00 0.00 H new ATOM 0 HH TYR A 59 24.506 20.732 37.149 1.00 0.00 H new ATOM 854 N ASP A 60 27.594 13.825 33.040 1.00 0.00 N ATOM 855 CA ASP A 60 27.359 12.597 33.773 1.00 0.00 C ATOM 856 C ASP A 60 28.636 12.123 34.501 1.00 0.00 C ATOM 857 O ASP A 60 28.596 11.270 35.389 1.00 0.00 O ATOM 858 CB ASP A 60 26.888 11.555 32.752 1.00 0.00 C ATOM 859 CG ASP A 60 25.834 10.580 33.282 1.00 0.00 C ATOM 860 OD1 ASP A 60 24.761 11.036 33.754 1.00 0.00 O ATOM 861 OD2 ASP A 60 26.060 9.349 33.224 1.00 0.00 O ATOM 0 H ASP A 60 27.563 13.718 32.026 1.00 0.00 H new ATOM 0 HA ASP A 60 26.606 12.751 34.546 1.00 0.00 H new ATOM 0 HB2 ASP A 60 26.481 12.073 31.884 1.00 0.00 H new ATOM 0 HB3 ASP A 60 27.751 10.986 32.408 1.00 0.00 H new ATOM 866 N ALA A 61 29.764 12.717 34.086 1.00 0.00 N ATOM 867 CA ALA A 61 31.143 12.473 34.515 1.00 0.00 C ATOM 868 C ALA A 61 31.789 13.719 35.160 1.00 0.00 C ATOM 869 O ALA A 61 33.012 13.769 35.349 1.00 0.00 O ATOM 870 CB ALA A 61 31.942 12.008 33.288 1.00 0.00 C ATOM 0 H ALA A 61 29.727 13.448 33.375 1.00 0.00 H new ATOM 0 HA ALA A 61 31.147 11.704 35.288 1.00 0.00 H new ATOM 0 HB1 ALA A 61 32.976 11.818 33.577 1.00 0.00 H new ATOM 0 HB2 ALA A 61 31.502 11.093 32.893 1.00 0.00 H new ATOM 0 HB3 ALA A 61 31.916 12.783 32.522 1.00 0.00 H new ATOM 876 N LEU A 62 30.998 14.761 35.441 1.00 0.00 N ATOM 877 CA LEU A 62 31.516 16.066 35.887 1.00 0.00 C ATOM 878 C LEU A 62 31.730 16.199 37.411 1.00 0.00 C ATOM 879 O LEU A 62 30.906 15.709 38.183 1.00 0.00 O ATOM 880 CB LEU A 62 30.606 17.196 35.370 1.00 0.00 C ATOM 881 CG LEU A 62 30.644 17.420 33.859 1.00 0.00 C ATOM 882 CD1 LEU A 62 30.033 18.788 33.547 1.00 0.00 C ATOM 883 CD2 LEU A 62 32.022 17.321 33.215 1.00 0.00 C ATOM 0 H LEU A 62 29.981 14.727 35.367 1.00 0.00 H new ATOM 0 HA LEU A 62 32.513 16.148 35.455 1.00 0.00 H new ATOM 0 HB2 LEU A 62 29.579 16.977 35.663 1.00 0.00 H new ATOM 0 HB3 LEU A 62 30.888 18.124 35.866 1.00 0.00 H new ATOM 0 HG LEU A 62 30.069 16.602 33.425 1.00 0.00 H new ATOM 0 HD11 LEU A 62 30.055 18.959 32.471 1.00 0.00 H new ATOM 0 HD12 LEU A 62 29.001 18.814 33.898 1.00 0.00 H new ATOM 0 HD13 LEU A 62 30.607 19.566 34.050 1.00 0.00 H new ATOM 0 HD21 LEU A 62 31.936 17.496 32.143 1.00 0.00 H new ATOM 0 HD22 LEU A 62 32.683 18.069 33.653 1.00 0.00 H new ATOM 0 HD23 LEU A 62 32.434 16.327 33.388 1.00 0.00 H new ATOM 895 N PRO A 63 32.776 16.931 37.851 1.00 0.00 N ATOM 896 CA PRO A 63 33.002 17.315 39.250 1.00 0.00 C ATOM 897 C PRO A 63 32.142 18.518 39.682 1.00 0.00 C ATOM 898 O PRO A 63 31.648 19.268 38.833 1.00 0.00 O ATOM 899 CB PRO A 63 34.494 17.659 39.317 1.00 0.00 C ATOM 900 CG PRO A 63 34.746 18.278 37.941 1.00 0.00 C ATOM 901 CD PRO A 63 33.876 17.424 37.028 1.00 0.00 C ATOM 0 HA PRO A 63 32.719 16.511 39.930 1.00 0.00 H new ATOM 0 HB2 PRO A 63 34.715 18.358 40.124 1.00 0.00 H new ATOM 0 HB3 PRO A 63 35.109 16.774 39.484 1.00 0.00 H new ATOM 0 HG2 PRO A 63 34.457 19.329 37.910 1.00 0.00 H new ATOM 0 HG3 PRO A 63 35.798 18.229 37.661 1.00 0.00 H new ATOM 0 HD2 PRO A 63 33.501 18.010 36.189 1.00 0.00 H new ATOM 0 HD3 PRO A 63 34.448 16.597 36.608 1.00 0.00 H new ATOM 909 N GLU A 64 31.971 18.725 40.994 1.00 0.00 N ATOM 910 CA GLU A 64 31.195 19.839 41.585 1.00 0.00 C ATOM 911 C GLU A 64 32.047 21.027 42.117 1.00 0.00 C ATOM 912 O GLU A 64 33.235 20.841 42.405 1.00 0.00 O ATOM 913 CB GLU A 64 30.273 19.327 42.709 1.00 0.00 C ATOM 914 CG GLU A 64 28.989 18.654 42.206 1.00 0.00 C ATOM 915 CD GLU A 64 29.150 17.156 41.950 1.00 0.00 C ATOM 916 OE1 GLU A 64 29.345 16.386 42.924 1.00 0.00 O ATOM 917 OE2 GLU A 64 29.032 16.735 40.776 1.00 0.00 O ATOM 0 H GLU A 64 32.377 18.109 41.699 1.00 0.00 H new ATOM 0 HA GLU A 64 30.610 20.235 40.755 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.826 18.617 43.323 1.00 0.00 H new ATOM 0 HB3 GLU A 64 30.004 20.164 43.353 1.00 0.00 H new ATOM 0 HG2 GLU A 64 28.196 18.807 42.938 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.670 19.140 41.284 1.00 0.00 H new ATOM 924 N PRO A 65 31.465 22.240 42.282 1.00 0.00 N ATOM 925 CA PRO A 65 32.142 23.472 42.721 1.00 0.00 C ATOM 926 C PRO A 65 31.962 23.818 44.210 1.00 0.00 C ATOM 927 O PRO A 65 31.268 23.118 44.955 1.00 0.00 O ATOM 928 CB PRO A 65 31.569 24.590 41.841 1.00 0.00 C ATOM 929 CG PRO A 65 30.668 23.874 40.832 1.00 0.00 C ATOM 930 CD PRO A 65 30.224 22.698 41.667 1.00 0.00 C ATOM 0 HA PRO A 65 33.218 23.339 42.613 1.00 0.00 H new ATOM 0 HB2 PRO A 65 31.004 25.309 42.434 1.00 0.00 H new ATOM 0 HB3 PRO A 65 32.362 25.144 41.339 1.00 0.00 H new ATOM 0 HG2 PRO A 65 29.832 24.493 40.506 1.00 0.00 H new ATOM 0 HG3 PRO A 65 31.207 23.569 39.935 1.00 0.00 H new ATOM 0 HD2 PRO A 65 29.487 22.990 42.415 1.00 0.00 H new ATOM 0 HD3 PRO A 65 29.766 21.920 41.056 1.00 0.00 H new ATOM 938 N GLU A 66 32.595 24.903 44.666 1.00 0.00 N ATOM 939 CA GLU A 66 32.278 25.540 45.958 1.00 0.00 C ATOM 940 C GLU A 66 30.813 26.032 46.040 1.00 0.00 C ATOM 941 O GLU A 66 30.208 26.399 45.034 1.00 0.00 O ATOM 942 CB GLU A 66 33.212 26.745 46.219 1.00 0.00 C ATOM 943 CG GLU A 66 34.710 26.409 46.295 1.00 0.00 C ATOM 944 CD GLU A 66 35.598 27.656 46.442 1.00 0.00 C ATOM 945 OE1 GLU A 66 35.323 28.528 47.302 1.00 0.00 O ATOM 946 OE2 GLU A 66 36.625 27.768 45.719 1.00 0.00 O ATOM 0 H GLU A 66 33.343 25.369 44.153 1.00 0.00 H new ATOM 0 HA GLU A 66 32.426 24.770 46.715 1.00 0.00 H new ATOM 0 HB2 GLU A 66 33.061 27.479 45.428 1.00 0.00 H new ATOM 0 HB3 GLU A 66 32.915 27.219 47.155 1.00 0.00 H new ATOM 0 HG2 GLU A 66 34.885 25.743 47.140 1.00 0.00 H new ATOM 0 HG3 GLU A 66 35.001 25.866 45.396 1.00 0.00 H new ATOM 953 N ASP A 67 30.261 26.138 47.252 1.00 0.00 N ATOM 954 CA ASP A 67 28.941 26.733 47.549 1.00 0.00 C ATOM 955 C ASP A 67 28.853 28.248 47.252 1.00 0.00 C ATOM 956 O ASP A 67 27.775 28.826 47.325 1.00 0.00 O ATOM 957 CB ASP A 67 28.528 26.404 48.996 1.00 0.00 C ATOM 958 CG ASP A 67 27.061 26.749 49.309 1.00 0.00 C ATOM 959 OD1 ASP A 67 26.142 26.250 48.618 1.00 0.00 O ATOM 960 OD2 ASP A 67 26.797 27.475 50.295 1.00 0.00 O ATOM 0 H ASP A 67 30.734 25.801 48.090 1.00 0.00 H new ATOM 0 HA ASP A 67 28.228 26.276 46.863 1.00 0.00 H new ATOM 0 HB2 ASP A 67 28.690 25.342 49.179 1.00 0.00 H new ATOM 0 HB3 ASP A 67 29.176 26.949 49.683 1.00 0.00 H new ATOM 965 N ASP A 68 29.974 28.941 47.028 1.00 0.00 N ATOM 966 CA ASP A 68 30.019 30.293 46.432 1.00 0.00 C ATOM 967 C ASP A 68 30.156 30.306 44.899 1.00 0.00 C ATOM 968 O ASP A 68 29.841 31.307 44.258 1.00 0.00 O ATOM 969 CB ASP A 68 31.134 31.082 47.125 1.00 0.00 C ATOM 970 CG ASP A 68 31.083 32.587 46.840 1.00 0.00 C ATOM 971 OD1 ASP A 68 30.002 33.214 46.971 1.00 0.00 O ATOM 972 OD2 ASP A 68 32.149 33.156 46.507 1.00 0.00 O ATOM 0 H ASP A 68 30.898 28.576 47.258 1.00 0.00 H new ATOM 0 HA ASP A 68 29.055 30.772 46.604 1.00 0.00 H new ATOM 0 HB2 ASP A 68 31.068 30.921 48.201 1.00 0.00 H new ATOM 0 HB3 ASP A 68 32.099 30.691 46.803 1.00 0.00 H new ATOM 977 N GLU A 69 30.604 29.201 44.302 1.00 0.00 N ATOM 978 CA GLU A 69 30.749 29.034 42.847 1.00 0.00 C ATOM 979 C GLU A 69 29.441 28.534 42.208 1.00 0.00 C ATOM 980 O GLU A 69 28.958 29.120 41.243 1.00 0.00 O ATOM 981 CB GLU A 69 31.924 28.084 42.544 1.00 0.00 C ATOM 982 CG GLU A 69 33.302 28.721 42.787 1.00 0.00 C ATOM 983 CD GLU A 69 34.465 27.746 42.542 1.00 0.00 C ATOM 984 OE1 GLU A 69 34.363 26.544 42.886 1.00 0.00 O ATOM 985 OE2 GLU A 69 35.537 28.203 42.064 1.00 0.00 O ATOM 0 H GLU A 69 30.885 28.373 44.827 1.00 0.00 H new ATOM 0 HA GLU A 69 30.967 30.006 42.405 1.00 0.00 H new ATOM 0 HB2 GLU A 69 31.830 27.192 43.164 1.00 0.00 H new ATOM 0 HB3 GLU A 69 31.860 27.759 41.506 1.00 0.00 H new ATOM 0 HG2 GLU A 69 33.417 29.586 42.134 1.00 0.00 H new ATOM 0 HG3 GLU A 69 33.351 29.087 43.813 1.00 0.00 H new ATOM 992 N ASN A 70 28.797 27.510 42.782 1.00 0.00 N ATOM 993 CA ASN A 70 27.470 27.034 42.351 1.00 0.00 C ATOM 994 C ASN A 70 26.328 28.035 42.640 1.00 0.00 C ATOM 995 O ASN A 70 25.253 27.964 42.039 1.00 0.00 O ATOM 996 CB ASN A 70 27.233 25.619 42.915 1.00 0.00 C ATOM 997 CG ASN A 70 26.944 25.529 44.408 1.00 0.00 C ATOM 998 OD1 ASN A 70 26.484 26.456 45.050 1.00 0.00 O ATOM 999 ND2 ASN A 70 27.152 24.382 45.008 1.00 0.00 N ATOM 0 H ASN A 70 29.183 26.982 43.565 1.00 0.00 H new ATOM 0 HA ASN A 70 27.460 26.966 41.263 1.00 0.00 H new ATOM 0 HB2 ASN A 70 26.397 25.171 42.377 1.00 0.00 H new ATOM 0 HB3 ASN A 70 28.113 25.013 42.699 1.00 0.00 H new ATOM 0 HD21 ASN A 70 26.929 24.276 45.998 1.00 0.00 H new ATOM 0 HD22 ASN A 70 27.537 23.595 44.485 1.00 0.00 H new ATOM 1006 N ASP A 71 26.581 28.990 43.531 1.00 0.00 N ATOM 1007 CA ASP A 71 25.677 30.089 43.871 1.00 0.00 C ATOM 1008 C ASP A 71 25.546 31.081 42.722 1.00 0.00 C ATOM 1009 O ASP A 71 24.451 31.581 42.507 1.00 0.00 O ATOM 1010 CB ASP A 71 26.211 30.823 45.098 1.00 0.00 C ATOM 1011 CG ASP A 71 25.249 31.873 45.643 1.00 0.00 C ATOM 1012 OD1 ASP A 71 24.175 31.499 46.170 1.00 0.00 O ATOM 1013 OD2 ASP A 71 25.631 33.065 45.708 1.00 0.00 O ATOM 0 H ASP A 71 27.454 29.022 44.057 1.00 0.00 H new ATOM 0 HA ASP A 71 24.694 29.664 44.075 1.00 0.00 H new ATOM 0 HB2 ASP A 71 26.426 30.096 45.882 1.00 0.00 H new ATOM 0 HB3 ASP A 71 27.155 31.304 44.842 1.00 0.00 H new ATOM 1018 N MET A 72 26.629 31.302 41.957 1.00 0.00 N ATOM 1019 CA MET A 72 26.678 32.199 40.785 1.00 0.00 C ATOM 1020 C MET A 72 25.564 31.822 39.791 1.00 0.00 C ATOM 1021 O MET A 72 24.945 32.679 39.164 1.00 0.00 O ATOM 1022 CB MET A 72 28.077 32.130 40.141 1.00 0.00 C ATOM 1023 CG MET A 72 29.226 32.463 41.118 1.00 0.00 C ATOM 1024 SD MET A 72 29.965 34.123 41.004 1.00 0.00 S ATOM 1025 CE MET A 72 28.509 35.191 41.159 1.00 0.00 C ATOM 0 H MET A 72 27.523 30.848 42.142 1.00 0.00 H new ATOM 0 HA MET A 72 26.505 33.230 41.095 1.00 0.00 H new ATOM 0 HB2 MET A 72 28.233 31.129 39.738 1.00 0.00 H new ATOM 0 HB3 MET A 72 28.115 32.822 39.300 1.00 0.00 H new ATOM 0 HG2 MET A 72 28.855 32.328 42.134 1.00 0.00 H new ATOM 0 HG3 MET A 72 30.019 31.730 40.969 1.00 0.00 H new ATOM 0 HE1 MET A 72 28.820 36.235 41.142 1.00 0.00 H new ATOM 0 HE2 MET A 72 27.829 35.001 40.329 1.00 0.00 H new ATOM 0 HE3 MET A 72 28.001 34.980 42.100 1.00 0.00 H new ATOM 1035 N LEU A 73 25.258 30.526 39.745 1.00 0.00 N ATOM 1036 CA LEU A 73 24.295 29.862 38.879 1.00 0.00 C ATOM 1037 C LEU A 73 22.874 29.957 39.445 1.00 0.00 C ATOM 1038 O LEU A 73 21.963 30.424 38.765 1.00 0.00 O ATOM 1039 CB LEU A 73 24.726 28.390 38.729 1.00 0.00 C ATOM 1040 CG LEU A 73 26.234 28.096 38.711 1.00 0.00 C ATOM 1041 CD1 LEU A 73 26.409 26.580 38.618 1.00 0.00 C ATOM 1042 CD2 LEU A 73 26.896 28.814 37.536 1.00 0.00 C ATOM 0 H LEU A 73 25.718 29.861 40.367 1.00 0.00 H new ATOM 0 HA LEU A 73 24.279 30.352 37.906 1.00 0.00 H new ATOM 0 HB2 LEU A 73 24.282 27.823 39.547 1.00 0.00 H new ATOM 0 HB3 LEU A 73 24.296 28.005 37.804 1.00 0.00 H new ATOM 0 HG LEU A 73 26.715 28.462 39.618 1.00 0.00 H new ATOM 0 HD11 LEU A 73 27.471 26.337 38.603 1.00 0.00 H new ATOM 0 HD12 LEU A 73 25.940 26.106 39.480 1.00 0.00 H new ATOM 0 HD13 LEU A 73 25.940 26.215 37.704 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.964 28.599 37.533 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.454 28.468 36.602 1.00 0.00 H new ATOM 0 HD23 LEU A 73 26.743 29.889 37.633 1.00 0.00 H new ATOM 1054 N ASP A 74 22.707 29.540 40.707 1.00 0.00 N ATOM 1055 CA ASP A 74 21.499 29.663 41.536 1.00 0.00 C ATOM 1056 C ASP A 74 20.896 31.078 41.612 1.00 0.00 C ATOM 1057 O ASP A 74 19.768 31.234 42.093 1.00 0.00 O ATOM 1058 CB ASP A 74 21.813 29.197 42.975 1.00 0.00 C ATOM 1059 CG ASP A 74 20.844 28.111 43.456 1.00 0.00 C ATOM 1060 OD1 ASP A 74 21.008 26.934 43.056 1.00 0.00 O ATOM 1061 OD2 ASP A 74 19.892 28.443 44.205 1.00 0.00 O ATOM 0 H ASP A 74 23.463 29.076 41.211 1.00 0.00 H new ATOM 0 HA ASP A 74 20.754 29.036 41.046 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.833 28.816 43.017 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.764 30.051 43.651 1.00 0.00 H new ATOM 1066 N LEU A 75 21.602 32.124 41.171 1.00 0.00 N ATOM 1067 CA LEU A 75 21.023 33.458 41.035 1.00 0.00 C ATOM 1068 C LEU A 75 19.958 33.505 39.923 1.00 0.00 C ATOM 1069 O LEU A 75 18.956 34.213 40.057 1.00 0.00 O ATOM 1070 CB LEU A 75 22.146 34.475 40.784 1.00 0.00 C ATOM 1071 CG LEU A 75 23.309 34.464 41.799 1.00 0.00 C ATOM 1072 CD1 LEU A 75 24.106 35.752 41.660 1.00 0.00 C ATOM 1073 CD2 LEU A 75 22.894 34.278 43.262 1.00 0.00 C ATOM 0 H LEU A 75 22.584 32.068 40.901 1.00 0.00 H new ATOM 0 HA LEU A 75 20.512 33.716 41.963 1.00 0.00 H new ATOM 0 HB2 LEU A 75 22.556 34.296 39.790 1.00 0.00 H new ATOM 0 HB3 LEU A 75 21.709 35.474 40.773 1.00 0.00 H new ATOM 0 HG LEU A 75 23.908 33.587 41.552 1.00 0.00 H new ATOM 0 HD11 LEU A 75 24.929 35.750 42.375 1.00 0.00 H new ATOM 0 HD12 LEU A 75 24.504 35.826 40.648 1.00 0.00 H new ATOM 0 HD13 LEU A 75 23.457 36.605 41.857 1.00 0.00 H new ATOM 0 HD21 LEU A 75 23.781 34.284 43.895 1.00 0.00 H new ATOM 0 HD22 LEU A 75 22.231 35.091 43.558 1.00 0.00 H new ATOM 0 HD23 LEU A 75 22.374 33.326 43.375 1.00 0.00 H new ATOM 1085 N ALA A 76 20.096 32.681 38.881 1.00 0.00 N ATOM 1086 CA ALA A 76 19.086 32.497 37.839 1.00 0.00 C ATOM 1087 C ALA A 76 17.879 31.673 38.337 1.00 0.00 C ATOM 1088 O ALA A 76 17.992 30.851 39.257 1.00 0.00 O ATOM 1089 CB ALA A 76 19.747 31.855 36.614 1.00 0.00 C ATOM 0 H ALA A 76 20.930 32.112 38.736 1.00 0.00 H new ATOM 0 HA ALA A 76 18.685 33.472 37.561 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.002 31.713 35.831 1.00 0.00 H new ATOM 0 HB2 ALA A 76 20.541 32.505 36.246 1.00 0.00 H new ATOM 0 HB3 ALA A 76 20.169 30.889 36.892 1.00 0.00 H new ATOM 1095 N TYR A 77 16.709 31.880 37.731 1.00 0.00 N ATOM 1096 CA TYR A 77 15.512 31.083 38.018 1.00 0.00 C ATOM 1097 C TYR A 77 15.656 29.641 37.529 1.00 0.00 C ATOM 1098 O TYR A 77 16.207 29.393 36.449 1.00 0.00 O ATOM 1099 CB TYR A 77 14.282 31.730 37.366 1.00 0.00 C ATOM 1100 CG TYR A 77 12.994 30.951 37.542 1.00 0.00 C ATOM 1101 CD1 TYR A 77 12.199 31.144 38.691 1.00 0.00 C ATOM 1102 CD2 TYR A 77 12.616 29.998 36.578 1.00 0.00 C ATOM 1103 CE1 TYR A 77 11.035 30.376 38.877 1.00 0.00 C ATOM 1104 CE2 TYR A 77 11.471 29.206 36.777 1.00 0.00 C ATOM 1105 CZ TYR A 77 10.676 29.392 37.930 1.00 0.00 C ATOM 1106 OH TYR A 77 9.565 28.632 38.126 1.00 0.00 O ATOM 0 H TYR A 77 16.563 32.604 37.028 1.00 0.00 H new ATOM 0 HA TYR A 77 15.386 31.058 39.100 1.00 0.00 H new ATOM 0 HB2 TYR A 77 14.148 32.728 37.783 1.00 0.00 H new ATOM 0 HB3 TYR A 77 14.474 31.853 36.300 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.484 31.881 39.428 1.00 0.00 H new ATOM 0 HD2 TYR A 77 13.207 29.874 35.683 1.00 0.00 H new ATOM 0 HE1 TYR A 77 10.415 30.539 39.746 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.200 28.456 36.049 1.00 0.00 H new ATOM 0 HH TYR A 77 9.462 28.005 37.380 1.00 0.00 H new ATOM 1116 N GLY A 78 15.074 28.704 38.277 1.00 0.00 N ATOM 1117 CA GLY A 78 14.683 27.407 37.744 1.00 0.00 C ATOM 1118 C GLY A 78 15.855 26.537 37.300 1.00 0.00 C ATOM 1119 O GLY A 78 15.798 25.935 36.226 1.00 0.00 O ATOM 0 H GLY A 78 14.862 28.826 39.267 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.114 26.871 38.503 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.017 27.561 36.895 1.00 0.00 H new ATOM 1123 N LEU A 79 16.953 26.544 38.062 1.00 0.00 N ATOM 1124 CA LEU A 79 18.216 25.927 37.652 1.00 0.00 C ATOM 1125 C LEU A 79 18.094 24.415 37.362 1.00 0.00 C ATOM 1126 O LEU A 79 17.603 23.631 38.183 1.00 0.00 O ATOM 1127 CB LEU A 79 19.335 26.392 38.597 1.00 0.00 C ATOM 1128 CG LEU A 79 20.697 25.978 38.034 1.00 0.00 C ATOM 1129 CD1 LEU A 79 21.746 27.025 38.332 1.00 0.00 C ATOM 1130 CD2 LEU A 79 21.189 24.670 38.627 1.00 0.00 C ATOM 0 H LEU A 79 16.990 26.980 38.984 1.00 0.00 H new ATOM 0 HA LEU A 79 18.514 26.283 36.666 1.00 0.00 H new ATOM 0 HB2 LEU A 79 19.295 27.475 38.717 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.193 25.956 39.586 1.00 0.00 H new ATOM 0 HG LEU A 79 20.553 25.864 36.960 1.00 0.00 H new ATOM 0 HD11 LEU A 79 22.704 26.707 37.922 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.454 27.972 37.879 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.837 27.152 39.411 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.158 24.418 38.197 1.00 0.00 H new ATOM 0 HD22 LEU A 79 21.287 24.775 39.708 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.475 23.877 38.403 1.00 0.00 H new ATOM 1142 N THR A 80 18.506 24.032 36.145 1.00 0.00 N ATOM 1143 CA THR A 80 18.142 22.782 35.465 1.00 0.00 C ATOM 1144 C THR A 80 19.027 21.619 35.905 1.00 0.00 C ATOM 1145 O THR A 80 20.130 21.823 36.400 1.00 0.00 O ATOM 1146 CB THR A 80 18.228 22.956 33.931 1.00 0.00 C ATOM 1147 OG1 THR A 80 18.164 24.307 33.507 1.00 0.00 O ATOM 1148 CG2 THR A 80 17.093 22.250 33.205 1.00 0.00 C ATOM 0 H THR A 80 19.130 24.611 35.583 1.00 0.00 H new ATOM 0 HA THR A 80 17.115 22.548 35.745 1.00 0.00 H new ATOM 0 HB THR A 80 19.198 22.525 33.684 1.00 0.00 H new ATOM 0 HG1 THR A 80 18.225 24.346 32.530 1.00 0.00 H new ATOM 0 HG21 THR A 80 17.198 22.402 32.131 1.00 0.00 H new ATOM 0 HG22 THR A 80 17.128 21.183 33.426 1.00 0.00 H new ATOM 0 HG23 THR A 80 16.139 22.658 33.538 1.00 0.00 H new ATOM 1156 N GLU A 81 18.582 20.383 35.681 1.00 0.00 N ATOM 1157 CA GLU A 81 19.207 19.174 36.238 1.00 0.00 C ATOM 1158 C GLU A 81 20.534 18.761 35.557 1.00 0.00 C ATOM 1159 O GLU A 81 21.158 17.786 35.989 1.00 0.00 O ATOM 1160 CB GLU A 81 18.172 18.028 36.298 1.00 0.00 C ATOM 1161 CG GLU A 81 16.931 18.415 37.125 1.00 0.00 C ATOM 1162 CD GLU A 81 16.091 17.200 37.531 1.00 0.00 C ATOM 1163 OE1 GLU A 81 16.578 16.398 38.371 1.00 0.00 O ATOM 1164 OE2 GLU A 81 14.937 17.049 37.053 1.00 0.00 O ATOM 0 H GLU A 81 17.767 20.186 35.100 1.00 0.00 H new ATOM 0 HA GLU A 81 19.516 19.417 37.255 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.865 17.763 35.286 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.636 17.143 36.733 1.00 0.00 H new ATOM 0 HG2 GLU A 81 17.248 18.949 38.021 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.313 19.102 36.547 1.00 0.00 H new ATOM 1171 N THR A 82 21.003 19.533 34.567 1.00 0.00 N ATOM 1172 CA THR A 82 22.398 19.558 34.071 1.00 0.00 C ATOM 1173 C THR A 82 22.962 20.982 33.962 1.00 0.00 C ATOM 1174 O THR A 82 23.899 21.248 33.203 1.00 0.00 O ATOM 1175 CB THR A 82 22.613 18.800 32.762 1.00 0.00 C ATOM 1176 OG1 THR A 82 21.850 19.335 31.709 1.00 0.00 O ATOM 1177 CG2 THR A 82 22.257 17.320 32.821 1.00 0.00 C ATOM 0 H THR A 82 20.401 20.186 34.065 1.00 0.00 H new ATOM 0 HA THR A 82 22.959 19.023 34.837 1.00 0.00 H new ATOM 0 HB THR A 82 23.684 18.911 32.591 1.00 0.00 H new ATOM 0 HG1 THR A 82 22.445 19.613 30.982 1.00 0.00 H new ATOM 0 HG21 THR A 82 22.441 16.863 31.849 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.871 16.828 33.575 1.00 0.00 H new ATOM 0 HG23 THR A 82 21.204 17.209 33.081 1.00 0.00 H new ATOM 1185 N SER A 83 22.405 21.953 34.694 1.00 0.00 N ATOM 1186 CA SER A 83 22.950 23.310 34.702 1.00 0.00 C ATOM 1187 C SER A 83 24.217 23.375 35.558 1.00 0.00 C ATOM 1188 O SER A 83 24.260 22.874 36.684 1.00 0.00 O ATOM 1189 CB SER A 83 21.914 24.359 35.055 1.00 0.00 C ATOM 1190 OG SER A 83 22.497 25.650 35.096 1.00 0.00 O ATOM 0 H SER A 83 21.583 21.824 35.284 1.00 0.00 H new ATOM 0 HA SER A 83 23.246 23.561 33.683 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.109 24.342 34.321 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.469 24.126 36.022 1.00 0.00 H new ATOM 0 HG SER A 83 23.136 25.744 34.359 1.00 0.00 H new ATOM 1196 N ARG A 84 25.264 23.966 34.983 1.00 0.00 N ATOM 1197 CA ARG A 84 26.645 23.993 35.491 1.00 0.00 C ATOM 1198 C ARG A 84 27.204 25.413 35.417 1.00 0.00 C ATOM 1199 O ARG A 84 26.607 26.316 34.836 1.00 0.00 O ATOM 1200 CB ARG A 84 27.518 22.978 34.691 1.00 0.00 C ATOM 1201 CG ARG A 84 28.551 22.129 35.471 1.00 0.00 C ATOM 1202 CD ARG A 84 28.086 21.625 36.847 1.00 0.00 C ATOM 1203 NE ARG A 84 28.817 20.436 37.353 1.00 0.00 N ATOM 1204 CZ ARG A 84 28.346 19.556 38.233 1.00 0.00 C ATOM 1205 NH1 ARG A 84 27.209 19.711 38.836 1.00 0.00 N ATOM 1206 NH2 ARG A 84 29.039 18.503 38.544 1.00 0.00 N ATOM 0 H ARG A 84 25.171 24.468 34.100 1.00 0.00 H new ATOM 0 HA ARG A 84 26.660 23.692 36.539 1.00 0.00 H new ATOM 0 HB2 ARG A 84 26.845 22.293 34.176 1.00 0.00 H new ATOM 0 HB3 ARG A 84 28.056 23.534 33.923 1.00 0.00 H new ATOM 0 HG2 ARG A 84 28.823 21.268 34.861 1.00 0.00 H new ATOM 0 HG3 ARG A 84 29.455 22.722 35.607 1.00 0.00 H new ATOM 0 HD2 ARG A 84 28.192 22.434 37.570 1.00 0.00 H new ATOM 0 HD3 ARG A 84 27.024 21.385 36.791 1.00 0.00 H new ATOM 0 HE ARG A 84 29.760 20.281 36.996 1.00 0.00 H new ATOM 0 HH11 ARG A 84 26.637 20.533 38.643 1.00 0.00 H new ATOM 0 HH12 ARG A 84 26.886 19.011 39.504 1.00 0.00 H new ATOM 0 HH21 ARG A 84 29.950 18.347 38.113 1.00 0.00 H new ATOM 0 HH22 ARG A 84 28.672 17.832 39.219 1.00 0.00 H new ATOM 1220 N LEU A 85 28.370 25.573 36.022 1.00 0.00 N ATOM 1221 CA LEU A 85 29.220 26.752 35.901 1.00 0.00 C ATOM 1222 C LEU A 85 30.096 26.702 34.648 1.00 0.00 C ATOM 1223 O LEU A 85 30.280 25.640 34.054 1.00 0.00 O ATOM 1224 CB LEU A 85 30.036 26.925 37.194 1.00 0.00 C ATOM 1225 CG LEU A 85 30.785 25.709 37.765 1.00 0.00 C ATOM 1226 CD1 LEU A 85 31.667 24.934 36.793 1.00 0.00 C ATOM 1227 CD2 LEU A 85 31.645 26.195 38.923 1.00 0.00 C ATOM 0 H LEU A 85 28.767 24.860 36.634 1.00 0.00 H new ATOM 0 HA LEU A 85 28.591 27.633 35.775 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.769 27.712 37.019 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.358 27.288 37.966 1.00 0.00 H new ATOM 0 HG LEU A 85 30.011 25.000 38.058 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.140 24.102 37.315 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.057 24.550 35.975 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.436 25.595 36.393 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.190 25.353 39.350 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.354 26.940 38.562 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.008 26.640 39.687 1.00 0.00 H new ATOM 1239 N GLY A 86 30.691 27.835 34.287 1.00 0.00 N ATOM 1240 CA GLY A 86 31.937 27.831 33.531 1.00 0.00 C ATOM 1241 C GLY A 86 33.137 27.442 34.407 1.00 0.00 C ATOM 1242 O GLY A 86 33.808 26.457 34.124 1.00 0.00 O ATOM 0 H GLY A 86 30.331 28.764 34.505 1.00 0.00 H new ATOM 0 HA2 GLY A 86 31.854 27.133 32.698 1.00 0.00 H new ATOM 0 HA3 GLY A 86 32.105 28.819 33.103 1.00 0.00 H new ATOM 1246 N CYS A 87 33.398 28.178 35.491 1.00 0.00 N ATOM 1247 CA CYS A 87 34.714 28.326 36.132 1.00 0.00 C ATOM 1248 C CYS A 87 35.515 27.043 36.411 1.00 0.00 C ATOM 1249 O CYS A 87 36.724 27.017 36.162 1.00 0.00 O ATOM 1250 CB CYS A 87 34.515 29.082 37.451 1.00 0.00 C ATOM 1251 SG CYS A 87 32.825 29.539 37.868 1.00 0.00 S ATOM 0 H CYS A 87 32.670 28.710 35.968 1.00 0.00 H new ATOM 0 HA CYS A 87 35.322 28.859 35.401 1.00 0.00 H new ATOM 0 HB2 CYS A 87 34.912 28.468 38.259 1.00 0.00 H new ATOM 0 HB3 CYS A 87 35.116 29.991 37.417 1.00 0.00 H new ATOM 1256 N GLN A 88 34.868 26.005 36.948 1.00 0.00 N ATOM 1257 CA GLN A 88 35.499 24.736 37.343 1.00 0.00 C ATOM 1258 C GLN A 88 35.199 23.566 36.388 1.00 0.00 C ATOM 1259 O GLN A 88 35.411 22.411 36.756 1.00 0.00 O ATOM 1260 CB GLN A 88 35.186 24.395 38.816 1.00 0.00 C ATOM 1261 CG GLN A 88 35.578 25.492 39.824 1.00 0.00 C ATOM 1262 CD GLN A 88 37.073 25.811 39.833 1.00 0.00 C ATOM 1263 OE1 GLN A 88 37.919 25.018 39.436 1.00 0.00 O ATOM 1264 NE2 GLN A 88 37.471 26.967 40.301 1.00 0.00 N ATOM 0 H GLN A 88 33.864 26.021 37.126 1.00 0.00 H new ATOM 0 HA GLN A 88 36.575 24.890 37.258 1.00 0.00 H new ATOM 0 HB2 GLN A 88 34.118 24.197 38.911 1.00 0.00 H new ATOM 0 HB3 GLN A 88 35.705 23.474 39.081 1.00 0.00 H new ATOM 0 HG2 GLN A 88 35.023 26.401 39.593 1.00 0.00 H new ATOM 0 HG3 GLN A 88 35.276 25.180 40.824 1.00 0.00 H new ATOM 0 HE21 GLN A 88 36.786 27.644 40.637 1.00 0.00 H new ATOM 0 HE22 GLN A 88 38.466 27.191 40.329 1.00 0.00 H new ATOM 1273 N ILE A 89 34.740 23.828 35.156 1.00 0.00 N ATOM 1274 CA ILE A 89 34.717 22.819 34.088 1.00 0.00 C ATOM 1275 C ILE A 89 35.423 23.312 32.817 1.00 0.00 C ATOM 1276 O ILE A 89 35.127 24.357 32.236 1.00 0.00 O ATOM 1277 CB ILE A 89 33.317 22.193 33.870 1.00 0.00 C ATOM 1278 CG1 ILE A 89 33.341 21.075 32.807 1.00 0.00 C ATOM 1279 CG2 ILE A 89 32.244 23.220 33.490 1.00 0.00 C ATOM 1280 CD1 ILE A 89 34.298 19.925 33.149 1.00 0.00 C ATOM 0 H ILE A 89 34.377 24.738 34.873 1.00 0.00 H new ATOM 0 HA ILE A 89 35.317 21.974 34.427 1.00 0.00 H new ATOM 0 HB ILE A 89 33.050 21.768 34.838 1.00 0.00 H new ATOM 0 HG12 ILE A 89 32.334 20.676 32.688 1.00 0.00 H new ATOM 0 HG13 ILE A 89 33.629 21.503 31.847 1.00 0.00 H new ATOM 0 HG21 ILE A 89 31.288 22.714 33.352 1.00 0.00 H new ATOM 0 HG22 ILE A 89 32.151 23.960 34.285 1.00 0.00 H new ATOM 0 HG23 ILE A 89 32.528 23.717 32.562 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.263 19.175 32.358 1.00 0.00 H new ATOM 0 HD12 ILE A 89 35.313 20.311 33.239 1.00 0.00 H new ATOM 0 HD13 ILE A 89 33.998 19.470 34.093 1.00 0.00 H new ATOM 1292 N LYS A 90 36.403 22.508 32.410 1.00 0.00 N ATOM 1293 CA LYS A 90 37.383 22.719 31.359 1.00 0.00 C ATOM 1294 C LYS A 90 37.599 21.435 30.569 1.00 0.00 C ATOM 1295 O LYS A 90 37.165 20.355 30.977 1.00 0.00 O ATOM 1296 CB LYS A 90 38.710 23.205 31.975 1.00 0.00 C ATOM 1297 CG LYS A 90 39.085 22.622 33.352 1.00 0.00 C ATOM 1298 CD LYS A 90 39.434 21.121 33.279 1.00 0.00 C ATOM 1299 CE LYS A 90 40.372 20.739 34.429 1.00 0.00 C ATOM 1300 NZ LYS A 90 40.688 19.290 34.434 1.00 0.00 N ATOM 0 H LYS A 90 36.540 21.602 32.857 1.00 0.00 H new ATOM 0 HA LYS A 90 37.012 23.481 30.674 1.00 0.00 H new ATOM 0 HB2 LYS A 90 39.515 22.975 31.277 1.00 0.00 H new ATOM 0 HB3 LYS A 90 38.667 24.290 32.065 1.00 0.00 H new ATOM 0 HG2 LYS A 90 39.935 23.171 33.757 1.00 0.00 H new ATOM 0 HG3 LYS A 90 38.255 22.766 34.043 1.00 0.00 H new ATOM 0 HD2 LYS A 90 38.523 20.525 33.330 1.00 0.00 H new ATOM 0 HD3 LYS A 90 39.908 20.896 32.324 1.00 0.00 H new ATOM 0 HE2 LYS A 90 41.296 21.311 34.347 1.00 0.00 H new ATOM 0 HE3 LYS A 90 39.911 21.012 35.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 41.325 19.076 35.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 39.809 18.743 34.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 41.152 19.033 33.539 1.00 0.00 H new ATOM 1314 N MET A 91 38.302 21.551 29.452 1.00 0.00 N ATOM 1315 CA MET A 91 38.450 20.442 28.511 1.00 0.00 C ATOM 1316 C MET A 91 39.500 19.405 28.927 1.00 0.00 C ATOM 1317 O MET A 91 40.587 19.740 29.394 1.00 0.00 O ATOM 1318 CB MET A 91 38.654 21.000 27.099 1.00 0.00 C ATOM 1319 CG MET A 91 37.612 22.038 26.677 1.00 0.00 C ATOM 1320 SD MET A 91 35.928 21.729 27.277 1.00 0.00 S ATOM 1321 CE MET A 91 35.049 22.199 25.786 1.00 0.00 C ATOM 0 H MET A 91 38.783 22.406 29.171 1.00 0.00 H new ATOM 0 HA MET A 91 37.525 19.866 28.520 1.00 0.00 H new ATOM 0 HB2 MET A 91 39.645 21.451 27.038 1.00 0.00 H new ATOM 0 HB3 MET A 91 38.636 20.174 26.388 1.00 0.00 H new ATOM 0 HG2 MET A 91 37.933 23.017 27.032 1.00 0.00 H new ATOM 0 HG3 MET A 91 37.590 22.085 25.588 1.00 0.00 H new ATOM 0 HE1 MET A 91 33.975 22.132 25.960 1.00 0.00 H new ATOM 0 HE2 MET A 91 35.310 23.223 25.517 1.00 0.00 H new ATOM 0 HE3 MET A 91 35.327 21.528 24.973 1.00 0.00 H new ATOM 1331 N SER A 92 39.141 18.137 28.739 1.00 0.00 N ATOM 1332 CA SER A 92 39.845 16.919 29.163 1.00 0.00 C ATOM 1333 C SER A 92 39.546 15.768 28.183 1.00 0.00 C ATOM 1334 O SER A 92 38.600 15.873 27.408 1.00 0.00 O ATOM 1335 CB SER A 92 39.365 16.510 30.565 1.00 0.00 C ATOM 1336 OG SER A 92 39.262 17.605 31.459 1.00 0.00 O ATOM 0 H SER A 92 38.278 17.911 28.245 1.00 0.00 H new ATOM 0 HA SER A 92 40.916 17.119 29.177 1.00 0.00 H new ATOM 0 HB2 SER A 92 38.393 16.024 30.482 1.00 0.00 H new ATOM 0 HB3 SER A 92 40.055 15.775 30.979 1.00 0.00 H new ATOM 0 HG SER A 92 38.952 17.286 32.332 1.00 0.00 H new ATOM 1342 N LYS A 93 40.264 14.637 28.204 1.00 0.00 N ATOM 1343 CA LYS A 93 40.082 13.554 27.204 1.00 0.00 C ATOM 1344 C LYS A 93 38.698 12.880 27.191 1.00 0.00 C ATOM 1345 O LYS A 93 38.376 12.215 26.209 1.00 0.00 O ATOM 1346 CB LYS A 93 41.233 12.531 27.270 1.00 0.00 C ATOM 1347 CG LYS A 93 42.522 13.137 26.689 1.00 0.00 C ATOM 1348 CD LYS A 93 43.623 12.089 26.483 1.00 0.00 C ATOM 1349 CE LYS A 93 44.786 12.745 25.731 1.00 0.00 C ATOM 1350 NZ LYS A 93 45.814 11.762 25.330 1.00 0.00 N ATOM 0 H LYS A 93 40.981 14.440 28.902 1.00 0.00 H new ATOM 0 HA LYS A 93 40.122 14.061 26.240 1.00 0.00 H new ATOM 0 HB2 LYS A 93 41.400 12.228 28.304 1.00 0.00 H new ATOM 0 HB3 LYS A 93 40.963 11.633 26.714 1.00 0.00 H new ATOM 0 HG2 LYS A 93 42.297 13.615 25.736 1.00 0.00 H new ATOM 0 HG3 LYS A 93 42.887 13.916 27.358 1.00 0.00 H new ATOM 0 HD2 LYS A 93 43.963 11.703 27.444 1.00 0.00 H new ATOM 0 HD3 LYS A 93 43.237 11.241 25.918 1.00 0.00 H new ATOM 0 HE2 LYS A 93 44.404 13.252 24.845 1.00 0.00 H new ATOM 0 HE3 LYS A 93 45.241 13.508 26.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 46.582 12.249 24.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 46.198 11.296 26.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 45.387 11.048 24.706 1.00 0.00 H new ATOM 1364 N ASP A 94 37.880 13.060 28.230 1.00 0.00 N ATOM 1365 CA ASP A 94 36.486 12.584 28.285 1.00 0.00 C ATOM 1366 C ASP A 94 35.519 13.434 27.437 1.00 0.00 C ATOM 1367 O ASP A 94 34.509 12.930 26.945 1.00 0.00 O ATOM 1368 CB ASP A 94 35.985 12.598 29.739 1.00 0.00 C ATOM 1369 CG ASP A 94 36.640 11.540 30.628 1.00 0.00 C ATOM 1370 OD1 ASP A 94 36.218 10.360 30.591 1.00 0.00 O ATOM 1371 OD2 ASP A 94 37.563 11.895 31.400 1.00 0.00 O ATOM 0 H ASP A 94 38.169 13.550 29.077 1.00 0.00 H new ATOM 0 HA ASP A 94 36.494 11.574 27.876 1.00 0.00 H new ATOM 0 HB2 ASP A 94 36.169 13.583 30.167 1.00 0.00 H new ATOM 0 HB3 ASP A 94 34.906 12.445 29.743 1.00 0.00 H new ATOM 1376 N ILE A 95 35.825 14.721 27.231 1.00 0.00 N ATOM 1377 CA ILE A 95 34.899 15.737 26.695 1.00 0.00 C ATOM 1378 C ILE A 95 34.703 15.660 25.191 1.00 0.00 C ATOM 1379 O ILE A 95 34.084 16.563 24.647 1.00 0.00 O ATOM 1380 CB ILE A 95 35.362 17.168 27.060 1.00 0.00 C ATOM 1381 CG1 ILE A 95 36.574 17.610 26.195 1.00 0.00 C ATOM 1382 CG2 ILE A 95 35.630 17.320 28.567 1.00 0.00 C ATOM 1383 CD1 ILE A 95 36.291 18.751 25.223 1.00 0.00 C ATOM 0 H ILE A 95 36.750 15.099 27.437 1.00 0.00 H new ATOM 0 HA ILE A 95 33.941 15.514 27.165 1.00 0.00 H new ATOM 0 HB ILE A 95 34.541 17.846 26.826 1.00 0.00 H new ATOM 0 HG12 ILE A 95 37.384 17.911 26.859 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.929 16.750 25.628 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.953 18.340 28.778 1.00 0.00 H new ATOM 0 HG22 ILE A 95 34.717 17.106 29.122 1.00 0.00 H new ATOM 0 HG23 ILE A 95 36.411 16.622 28.870 1.00 0.00 H new ATOM 0 HD11 ILE A 95 37.197 18.987 24.665 1.00 0.00 H new ATOM 0 HD12 ILE A 95 35.506 18.451 24.529 1.00 0.00 H new ATOM 0 HD13 ILE A 95 35.968 19.631 25.779 1.00 0.00 H new ATOM 1395 N ASP A 96 35.261 14.666 24.504 1.00 0.00 N ATOM 1396 CA ASP A 96 35.325 14.639 23.046 1.00 0.00 C ATOM 1397 C ASP A 96 33.919 14.617 22.423 1.00 0.00 C ATOM 1398 O ASP A 96 33.266 13.586 22.255 1.00 0.00 O ATOM 1399 CB ASP A 96 36.283 13.532 22.590 1.00 0.00 C ATOM 1400 CG ASP A 96 35.946 12.930 21.224 1.00 0.00 C ATOM 1401 OD1 ASP A 96 36.105 13.629 20.191 1.00 0.00 O ATOM 1402 OD2 ASP A 96 35.560 11.739 21.171 1.00 0.00 O ATOM 0 H ASP A 96 35.684 13.851 24.947 1.00 0.00 H new ATOM 0 HA ASP A 96 35.755 15.565 22.664 1.00 0.00 H new ATOM 0 HB2 ASP A 96 37.295 13.935 22.557 1.00 0.00 H new ATOM 0 HB3 ASP A 96 36.281 12.736 23.335 1.00 0.00 H new ATOM 1407 N GLY A 97 33.445 15.831 22.164 1.00 0.00 N ATOM 1408 CA GLY A 97 32.105 16.136 21.628 1.00 0.00 C ATOM 1409 C GLY A 97 31.127 16.852 22.575 1.00 0.00 C ATOM 1410 O GLY A 97 29.921 16.871 22.311 1.00 0.00 O ATOM 0 H GLY A 97 34.000 16.671 22.326 1.00 0.00 H new ATOM 0 HA2 GLY A 97 32.227 16.752 20.737 1.00 0.00 H new ATOM 0 HA3 GLY A 97 31.646 15.201 21.309 1.00 0.00 H new ATOM 1414 N ILE A 98 31.604 17.408 23.691 1.00 0.00 N ATOM 1415 CA ILE A 98 30.812 18.137 24.686 1.00 0.00 C ATOM 1416 C ILE A 98 29.968 19.271 24.079 1.00 0.00 C ATOM 1417 O ILE A 98 30.420 20.045 23.227 1.00 0.00 O ATOM 1418 CB ILE A 98 31.742 18.592 25.836 1.00 0.00 C ATOM 1419 CG1 ILE A 98 31.013 19.041 27.120 1.00 0.00 C ATOM 1420 CG2 ILE A 98 32.789 19.623 25.385 1.00 0.00 C ATOM 1421 CD1 ILE A 98 30.660 20.530 27.242 1.00 0.00 C ATOM 0 H ILE A 98 32.593 17.361 23.937 1.00 0.00 H new ATOM 0 HA ILE A 98 30.064 17.463 25.103 1.00 0.00 H new ATOM 0 HB ILE A 98 32.276 17.683 26.114 1.00 0.00 H new ATOM 0 HG12 ILE A 98 30.090 18.467 27.203 1.00 0.00 H new ATOM 0 HG13 ILE A 98 31.634 18.770 27.974 1.00 0.00 H new ATOM 0 HG21 ILE A 98 33.412 19.904 26.234 1.00 0.00 H new ATOM 0 HG22 ILE A 98 33.414 19.189 24.604 1.00 0.00 H new ATOM 0 HG23 ILE A 98 32.285 20.508 24.996 1.00 0.00 H new ATOM 0 HD11 ILE A 98 30.152 20.707 28.190 1.00 0.00 H new ATOM 0 HD12 ILE A 98 31.573 21.125 27.203 1.00 0.00 H new ATOM 0 HD13 ILE A 98 30.004 20.817 26.420 1.00 0.00 H new ATOM 1433 N ARG A 99 28.725 19.378 24.558 1.00 0.00 N ATOM 1434 CA ARG A 99 27.780 20.461 24.255 1.00 0.00 C ATOM 1435 C ARG A 99 27.418 21.205 25.521 1.00 0.00 C ATOM 1436 O ARG A 99 27.306 20.593 26.586 1.00 0.00 O ATOM 1437 CB ARG A 99 26.453 19.879 23.731 1.00 0.00 C ATOM 1438 CG ARG A 99 25.610 20.771 22.801 1.00 0.00 C ATOM 1439 CD ARG A 99 24.178 20.232 22.618 1.00 0.00 C ATOM 1440 NE ARG A 99 24.126 19.095 21.681 1.00 0.00 N ATOM 1441 CZ ARG A 99 23.110 18.278 21.454 1.00 0.00 C ATOM 1442 NH1 ARG A 99 22.020 18.307 22.160 1.00 0.00 N ATOM 1443 NH2 ARG A 99 23.170 17.413 20.487 1.00 0.00 N ATOM 0 H ARG A 99 28.332 18.684 25.194 1.00 0.00 H new ATOM 0 HA ARG A 99 28.257 21.111 23.521 1.00 0.00 H new ATOM 0 HB2 ARG A 99 26.677 18.954 23.200 1.00 0.00 H new ATOM 0 HB3 ARG A 99 25.839 19.612 24.591 1.00 0.00 H new ATOM 0 HG2 ARG A 99 25.567 21.781 23.210 1.00 0.00 H new ATOM 0 HG3 ARG A 99 26.097 20.841 21.828 1.00 0.00 H new ATOM 0 HD2 ARG A 99 23.782 19.922 23.585 1.00 0.00 H new ATOM 0 HD3 ARG A 99 23.535 21.032 22.252 1.00 0.00 H new ATOM 0 HE ARG A 99 24.974 18.917 21.144 1.00 0.00 H new ATOM 0 HH11 ARG A 99 21.924 18.978 22.923 1.00 0.00 H new ATOM 0 HH12 ARG A 99 21.260 17.659 21.952 1.00 0.00 H new ATOM 0 HH21 ARG A 99 24.002 17.362 19.900 1.00 0.00 H new ATOM 0 HH22 ARG A 99 22.385 16.785 20.315 1.00 0.00 H new ATOM 1457 N VAL A 100 27.064 22.468 25.351 1.00 0.00 N ATOM 1458 CA VAL A 100 26.258 23.206 26.308 1.00 0.00 C ATOM 1459 C VAL A 100 25.242 24.119 25.627 1.00 0.00 C ATOM 1460 O VAL A 100 25.436 24.517 24.479 1.00 0.00 O ATOM 1461 CB VAL A 100 27.156 24.064 27.243 1.00 0.00 C ATOM 1462 CG1 VAL A 100 27.975 23.237 28.245 1.00 0.00 C ATOM 1463 CG2 VAL A 100 28.135 24.953 26.454 1.00 0.00 C ATOM 0 H VAL A 100 27.332 23.016 24.534 1.00 0.00 H new ATOM 0 HA VAL A 100 25.717 22.462 26.892 1.00 0.00 H new ATOM 0 HB VAL A 100 26.447 24.679 27.796 1.00 0.00 H new ATOM 0 HG11 VAL A 100 28.576 23.905 28.862 1.00 0.00 H new ATOM 0 HG12 VAL A 100 27.300 22.664 28.881 1.00 0.00 H new ATOM 0 HG13 VAL A 100 28.631 22.555 27.704 1.00 0.00 H new ATOM 0 HG21 VAL A 100 28.741 25.534 27.150 1.00 0.00 H new ATOM 0 HG22 VAL A 100 28.784 24.326 25.843 1.00 0.00 H new ATOM 0 HG23 VAL A 100 27.574 25.630 25.810 1.00 0.00 H new ATOM 1473 N ALA A 101 24.190 24.514 26.341 1.00 0.00 N ATOM 1474 CA ALA A 101 23.378 25.663 25.963 1.00 0.00 C ATOM 1475 C ALA A 101 23.690 26.882 26.854 1.00 0.00 C ATOM 1476 O ALA A 101 23.926 26.734 28.057 1.00 0.00 O ATOM 1477 CB ALA A 101 21.904 25.266 26.017 1.00 0.00 C ATOM 0 H ALA A 101 23.880 24.048 27.193 1.00 0.00 H new ATOM 0 HA ALA A 101 23.618 25.964 24.943 1.00 0.00 H new ATOM 0 HB1 ALA A 101 21.287 26.119 25.736 1.00 0.00 H new ATOM 0 HB2 ALA A 101 21.723 24.443 25.325 1.00 0.00 H new ATOM 0 HB3 ALA A 101 21.649 24.952 27.029 1.00 0.00 H new ATOM 1483 N LEU A 102 23.664 28.087 26.272 1.00 0.00 N ATOM 1484 CA LEU A 102 23.783 29.371 26.968 1.00 0.00 C ATOM 1485 C LEU A 102 22.657 30.353 26.541 1.00 0.00 C ATOM 1486 O LEU A 102 22.911 31.347 25.860 1.00 0.00 O ATOM 1487 CB LEU A 102 25.249 29.863 26.896 1.00 0.00 C ATOM 1488 CG LEU A 102 26.037 29.804 25.566 1.00 0.00 C ATOM 1489 CD1 LEU A 102 25.745 30.966 24.620 1.00 0.00 C ATOM 1490 CD2 LEU A 102 27.540 29.857 25.865 1.00 0.00 C ATOM 0 H LEU A 102 23.555 28.197 25.264 1.00 0.00 H new ATOM 0 HA LEU A 102 23.594 29.272 28.037 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.255 30.902 27.227 1.00 0.00 H new ATOM 0 HB3 LEU A 102 25.816 29.291 27.630 1.00 0.00 H new ATOM 0 HG LEU A 102 25.726 28.878 25.083 1.00 0.00 H new ATOM 0 HD11 LEU A 102 26.336 30.852 23.711 1.00 0.00 H new ATOM 0 HD12 LEU A 102 24.685 30.971 24.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.006 31.906 25.107 1.00 0.00 H new ATOM 0 HD21 LEU A 102 28.099 29.816 24.930 1.00 0.00 H new ATOM 0 HD22 LEU A 102 27.775 30.785 26.387 1.00 0.00 H new ATOM 0 HD23 LEU A 102 27.817 29.008 26.491 1.00 0.00 H new ATOM 1502 N PRO A 103 21.388 30.054 26.904 1.00 0.00 N ATOM 1503 CA PRO A 103 20.199 30.803 26.472 1.00 0.00 C ATOM 1504 C PRO A 103 20.109 32.224 27.058 1.00 0.00 C ATOM 1505 O PRO A 103 20.878 32.600 27.949 1.00 0.00 O ATOM 1506 CB PRO A 103 19.005 29.939 26.908 1.00 0.00 C ATOM 1507 CG PRO A 103 19.529 29.243 28.160 1.00 0.00 C ATOM 1508 CD PRO A 103 20.978 28.958 27.780 1.00 0.00 C ATOM 0 HA PRO A 103 20.229 30.970 25.395 1.00 0.00 H new ATOM 0 HB2 PRO A 103 18.124 30.545 27.121 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.721 29.223 26.137 1.00 0.00 H new ATOM 0 HG2 PRO A 103 19.456 29.880 29.042 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.977 28.329 28.380 1.00 0.00 H new ATOM 0 HD2 PRO A 103 21.611 28.909 28.666 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.066 27.998 27.271 1.00 0.00 H new ATOM 1516 N GLN A 104 19.136 33.008 26.573 1.00 0.00 N ATOM 1517 CA GLN A 104 18.889 34.390 27.015 1.00 0.00 C ATOM 1518 C GLN A 104 18.661 34.495 28.532 1.00 0.00 C ATOM 1519 O GLN A 104 18.127 33.572 29.155 1.00 0.00 O ATOM 1520 CB GLN A 104 17.728 35.016 26.214 1.00 0.00 C ATOM 1521 CG GLN A 104 16.323 34.450 26.519 1.00 0.00 C ATOM 1522 CD GLN A 104 15.631 35.036 27.753 1.00 0.00 C ATOM 1523 OE1 GLN A 104 15.769 36.203 28.103 1.00 0.00 O ATOM 1524 NE2 GLN A 104 14.823 34.257 28.436 1.00 0.00 N ATOM 0 H GLN A 104 18.487 32.696 25.851 1.00 0.00 H new ATOM 0 HA GLN A 104 19.793 34.963 26.809 1.00 0.00 H new ATOM 0 HB2 GLN A 104 17.717 36.089 26.404 1.00 0.00 H new ATOM 0 HB3 GLN A 104 17.931 34.883 25.151 1.00 0.00 H new ATOM 0 HG2 GLN A 104 15.686 34.620 25.651 1.00 0.00 H new ATOM 0 HG3 GLN A 104 16.405 33.371 26.648 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.697 33.284 28.158 1.00 0.00 H new ATOM 0 HE22 GLN A 104 14.322 34.626 29.244 1.00 0.00 H new ATOM 1533 N MET A 105 19.047 35.629 29.120 1.00 0.00 N ATOM 1534 CA MET A 105 19.011 35.849 30.573 1.00 0.00 C ATOM 1535 C MET A 105 18.222 37.099 30.971 1.00 0.00 C ATOM 1536 O MET A 105 18.242 38.106 30.263 1.00 0.00 O ATOM 1537 CB MET A 105 20.446 35.881 31.133 1.00 0.00 C ATOM 1538 CG MET A 105 21.312 36.997 30.540 1.00 0.00 C ATOM 1539 SD MET A 105 23.034 37.045 31.105 1.00 0.00 S ATOM 1540 CE MET A 105 23.659 35.502 30.389 1.00 0.00 C ATOM 0 H MET A 105 19.398 36.432 28.597 1.00 0.00 H new ATOM 0 HA MET A 105 18.474 35.011 31.018 1.00 0.00 H new ATOM 0 HB2 MET A 105 20.402 36.003 32.215 1.00 0.00 H new ATOM 0 HB3 MET A 105 20.924 34.921 30.940 1.00 0.00 H new ATOM 0 HG2 MET A 105 21.308 36.896 29.455 1.00 0.00 H new ATOM 0 HG3 MET A 105 20.846 37.955 30.773 1.00 0.00 H new ATOM 0 HE1 MET A 105 24.728 35.596 30.198 1.00 0.00 H new ATOM 0 HE2 MET A 105 23.486 34.681 31.085 1.00 0.00 H new ATOM 0 HE3 MET A 105 23.140 35.299 29.453 1.00 0.00 H new ATOM 1550 N THR A 106 17.614 37.073 32.160 1.00 0.00 N ATOM 1551 CA THR A 106 16.951 38.229 32.803 1.00 0.00 C ATOM 1552 C THR A 106 17.907 39.049 33.686 1.00 0.00 C ATOM 1553 O THR A 106 17.477 39.820 34.551 1.00 0.00 O ATOM 1554 CB THR A 106 15.680 37.801 33.558 1.00 0.00 C ATOM 1555 OG1 THR A 106 15.951 36.744 34.451 1.00 0.00 O ATOM 1556 CG2 THR A 106 14.604 37.310 32.592 1.00 0.00 C ATOM 0 H THR A 106 17.564 36.225 32.725 1.00 0.00 H new ATOM 0 HA THR A 106 16.641 38.899 32.001 1.00 0.00 H new ATOM 0 HB THR A 106 15.333 38.680 34.101 1.00 0.00 H new ATOM 0 HG1 THR A 106 15.128 36.492 34.919 1.00 0.00 H new ATOM 0 HG21 THR A 106 13.718 37.014 33.154 1.00 0.00 H new ATOM 0 HG22 THR A 106 14.344 38.111 31.899 1.00 0.00 H new ATOM 0 HG23 THR A 106 14.981 36.454 32.032 1.00 0.00 H new ATOM 1564 N ARG A 107 19.220 38.892 33.463 1.00 0.00 N ATOM 1565 CA ARG A 107 20.312 39.644 34.094 1.00 0.00 C ATOM 1566 C ARG A 107 20.303 41.109 33.648 1.00 0.00 C ATOM 1567 O ARG A 107 20.177 41.394 32.454 1.00 0.00 O ATOM 1568 CB ARG A 107 21.650 38.978 33.706 1.00 0.00 C ATOM 1569 CG ARG A 107 22.881 39.502 34.463 1.00 0.00 C ATOM 1570 CD ARG A 107 22.930 38.994 35.911 1.00 0.00 C ATOM 1571 NE ARG A 107 23.331 40.051 36.854 1.00 0.00 N ATOM 1572 CZ ARG A 107 24.545 40.483 37.135 1.00 0.00 C ATOM 1573 NH1 ARG A 107 25.631 40.040 36.574 1.00 0.00 N ATOM 1574 NH2 ARG A 107 24.711 41.412 38.022 1.00 0.00 N ATOM 0 H ARG A 107 19.567 38.198 32.801 1.00 0.00 H new ATOM 0 HA ARG A 107 20.182 39.629 35.176 1.00 0.00 H new ATOM 0 HB2 ARG A 107 21.567 37.905 33.877 1.00 0.00 H new ATOM 0 HB3 ARG A 107 21.812 39.119 32.637 1.00 0.00 H new ATOM 0 HG2 ARG A 107 23.786 39.192 33.940 1.00 0.00 H new ATOM 0 HG3 ARG A 107 22.869 40.592 34.462 1.00 0.00 H new ATOM 0 HD2 ARG A 107 21.950 38.609 36.193 1.00 0.00 H new ATOM 0 HD3 ARG A 107 23.631 38.162 35.980 1.00 0.00 H new ATOM 0 HE ARG A 107 22.570 40.509 37.356 1.00 0.00 H new ATOM 0 HH11 ARG A 107 25.577 39.309 35.865 1.00 0.00 H new ATOM 0 HH12 ARG A 107 26.537 40.423 36.843 1.00 0.00 H new ATOM 0 HH21 ARG A 107 23.903 41.809 38.502 1.00 0.00 H new ATOM 0 HH22 ARG A 107 25.649 41.747 38.240 1.00 0.00 H new ATOM 1588 N ASN A 108 20.531 42.024 34.586 1.00 0.00 N ATOM 1589 CA ASN A 108 20.742 43.450 34.316 1.00 0.00 C ATOM 1590 C ASN A 108 21.912 43.972 35.170 1.00 0.00 C ATOM 1591 O ASN A 108 21.894 43.823 36.394 1.00 0.00 O ATOM 1592 CB ASN A 108 19.428 44.205 34.579 1.00 0.00 C ATOM 1593 CG ASN A 108 18.427 44.059 33.445 1.00 0.00 C ATOM 1594 OD1 ASN A 108 17.618 43.140 33.400 1.00 0.00 O ATOM 1595 ND2 ASN A 108 18.468 44.930 32.472 1.00 0.00 N ATOM 0 H ASN A 108 20.576 41.793 35.579 1.00 0.00 H new ATOM 0 HA ASN A 108 21.015 43.613 33.273 1.00 0.00 H new ATOM 0 HB2 ASN A 108 18.981 43.836 35.502 1.00 0.00 H new ATOM 0 HB3 ASN A 108 19.646 45.262 34.731 1.00 0.00 H new ATOM 0 HD21 ASN A 108 17.829 44.842 31.682 1.00 0.00 H new ATOM 0 HD22 ASN A 108 19.139 45.698 32.503 1.00 0.00 H new ATOM 1602 N VAL A 109 22.937 44.551 34.534 1.00 0.00 N ATOM 1603 CA VAL A 109 24.198 44.977 35.169 1.00 0.00 C ATOM 1604 C VAL A 109 24.752 46.250 34.513 1.00 0.00 C ATOM 1605 O VAL A 109 24.990 46.293 33.307 1.00 0.00 O ATOM 1606 CB VAL A 109 25.222 43.816 35.169 1.00 0.00 C ATOM 1607 CG1 VAL A 109 25.576 43.252 33.785 1.00 0.00 C ATOM 1608 CG2 VAL A 109 26.520 44.193 35.891 1.00 0.00 C ATOM 0 H VAL A 109 22.915 44.744 33.533 1.00 0.00 H new ATOM 0 HA VAL A 109 23.995 45.231 36.209 1.00 0.00 H new ATOM 0 HB VAL A 109 24.699 43.026 35.709 1.00 0.00 H new ATOM 0 HG11 VAL A 109 26.300 42.444 33.895 1.00 0.00 H new ATOM 0 HG12 VAL A 109 24.675 42.869 33.307 1.00 0.00 H new ATOM 0 HG13 VAL A 109 26.005 44.042 33.169 1.00 0.00 H new ATOM 0 HG21 VAL A 109 27.209 43.348 35.866 1.00 0.00 H new ATOM 0 HG22 VAL A 109 26.977 45.049 35.394 1.00 0.00 H new ATOM 0 HG23 VAL A 109 26.299 44.450 36.927 1.00 0.00 H new ATOM 1618 N ASN A 110 24.970 47.296 35.313 1.00 0.00 N ATOM 1619 CA ASN A 110 25.427 48.615 34.858 1.00 0.00 C ATOM 1620 C ASN A 110 26.419 49.242 35.863 1.00 0.00 C ATOM 1621 O ASN A 110 26.340 48.996 37.072 1.00 0.00 O ATOM 1622 CB ASN A 110 24.211 49.543 34.637 1.00 0.00 C ATOM 1623 CG ASN A 110 23.128 48.995 33.715 1.00 0.00 C ATOM 1624 OD1 ASN A 110 22.178 48.357 34.152 1.00 0.00 O ATOM 1625 ND2 ASN A 110 23.213 49.225 32.426 1.00 0.00 N ATOM 0 H ASN A 110 24.830 47.250 36.322 1.00 0.00 H new ATOM 0 HA ASN A 110 25.955 48.490 33.912 1.00 0.00 H new ATOM 0 HB2 ASN A 110 23.762 49.762 35.606 1.00 0.00 H new ATOM 0 HB3 ASN A 110 24.567 50.489 34.229 1.00 0.00 H new ATOM 0 HD21 ASN A 110 22.491 48.873 31.797 1.00 0.00 H new ATOM 0 HD22 ASN A 110 24.001 49.755 32.053 1.00 0.00 H new ATOM 1632 N ASN A 111 27.313 50.097 35.362 1.00 0.00 N ATOM 1633 CA ASN A 111 28.343 50.851 36.087 1.00 0.00 C ATOM 1634 C ASN A 111 29.263 49.996 36.994 1.00 0.00 C ATOM 1635 O ASN A 111 29.556 50.363 38.134 1.00 0.00 O ATOM 1636 CB ASN A 111 27.704 52.095 36.747 1.00 0.00 C ATOM 1637 CG ASN A 111 28.699 53.199 37.084 1.00 0.00 C ATOM 1638 OD1 ASN A 111 29.913 53.046 37.016 1.00 0.00 O ATOM 1639 ND2 ASN A 111 28.212 54.357 37.460 1.00 0.00 N ATOM 0 H ASN A 111 27.339 50.297 34.362 1.00 0.00 H new ATOM 0 HA ASN A 111 29.071 51.216 35.363 1.00 0.00 H new ATOM 0 HB2 ASN A 111 26.943 52.498 36.078 1.00 0.00 H new ATOM 0 HB3 ASN A 111 27.195 51.788 37.661 1.00 0.00 H new ATOM 0 HD21 ASN A 111 28.843 55.124 37.694 1.00 0.00 H new ATOM 0 HD22 ASN A 111 27.203 54.491 37.519 1.00 0.00 H new ATOM 1646 N ASN A 112 29.732 48.846 36.493 1.00 0.00 N ATOM 1647 CA ASN A 112 30.843 48.084 37.080 1.00 0.00 C ATOM 1648 C ASN A 112 32.196 48.651 36.589 1.00 0.00 C ATOM 1649 O ASN A 112 32.336 48.986 35.409 1.00 0.00 O ATOM 1650 CB ASN A 112 30.649 46.593 36.737 1.00 0.00 C ATOM 1651 CG ASN A 112 31.571 45.646 37.489 1.00 0.00 C ATOM 1652 OD1 ASN A 112 32.349 46.025 38.355 1.00 0.00 O ATOM 1653 ND2 ASN A 112 31.489 44.369 37.200 1.00 0.00 N ATOM 0 H ASN A 112 29.344 48.412 35.655 1.00 0.00 H new ATOM 0 HA ASN A 112 30.851 48.179 38.166 1.00 0.00 H new ATOM 0 HB2 ASN A 112 29.616 46.317 36.947 1.00 0.00 H new ATOM 0 HB3 ASN A 112 30.804 46.457 35.667 1.00 0.00 H new ATOM 0 HD21 ASN A 112 32.072 43.695 37.696 1.00 0.00 H new ATOM 0 HD22 ASN A 112 30.842 44.050 36.479 1.00 0.00 H new ATOM 1660 N ASP A 113 33.193 48.789 37.464 1.00 0.00 N ATOM 1661 CA ASP A 113 34.469 49.459 37.157 1.00 0.00 C ATOM 1662 C ASP A 113 35.530 48.513 36.547 1.00 0.00 C ATOM 1663 O ASP A 113 35.620 47.332 36.909 1.00 0.00 O ATOM 1664 CB ASP A 113 34.968 50.165 38.432 1.00 0.00 C ATOM 1665 CG ASP A 113 36.049 51.228 38.203 1.00 0.00 C ATOM 1666 OD1 ASP A 113 36.088 51.851 37.114 1.00 0.00 O ATOM 1667 OD2 ASP A 113 36.828 51.500 39.148 1.00 0.00 O ATOM 0 H ASP A 113 33.142 48.436 38.420 1.00 0.00 H new ATOM 0 HA ASP A 113 34.294 50.199 36.376 1.00 0.00 H new ATOM 0 HB2 ASP A 113 34.117 50.634 38.926 1.00 0.00 H new ATOM 0 HB3 ASP A 113 35.359 49.412 39.117 1.00 0.00 H new ATOM 1672 N PHE A 114 36.369 49.035 35.645 1.00 0.00 N ATOM 1673 CA PHE A 114 37.424 48.304 34.926 1.00 0.00 C ATOM 1674 C PHE A 114 38.749 49.091 34.887 1.00 0.00 C ATOM 1675 O PHE A 114 38.738 50.327 34.870 1.00 0.00 O ATOM 1676 CB PHE A 114 36.918 47.989 33.510 1.00 0.00 C ATOM 1677 CG PHE A 114 37.827 47.066 32.722 1.00 0.00 C ATOM 1678 CD1 PHE A 114 37.773 45.679 32.948 1.00 0.00 C ATOM 1679 CD2 PHE A 114 38.742 47.586 31.786 1.00 0.00 C ATOM 1680 CE1 PHE A 114 38.635 44.813 32.251 1.00 0.00 C ATOM 1681 CE2 PHE A 114 39.599 46.720 31.084 1.00 0.00 C ATOM 1682 CZ PHE A 114 39.546 45.334 31.318 1.00 0.00 C ATOM 0 H PHE A 114 36.331 50.020 35.384 1.00 0.00 H new ATOM 0 HA PHE A 114 37.640 47.376 35.456 1.00 0.00 H new ATOM 0 HB2 PHE A 114 35.930 47.535 33.581 1.00 0.00 H new ATOM 0 HB3 PHE A 114 36.801 48.923 32.961 1.00 0.00 H new ATOM 0 HD1 PHE A 114 37.067 45.277 33.660 1.00 0.00 H new ATOM 0 HD2 PHE A 114 38.785 48.650 31.607 1.00 0.00 H new ATOM 0 HE1 PHE A 114 38.596 43.749 32.433 1.00 0.00 H new ATOM 0 HE2 PHE A 114 40.299 47.119 30.365 1.00 0.00 H new ATOM 0 HZ PHE A 114 40.206 44.670 30.780 1.00 0.00 H new ATOM 1692 N SER A 115 39.891 48.386 34.859 1.00 0.00 N ATOM 1693 CA SER A 115 41.254 48.965 34.850 1.00 0.00 C ATOM 1694 C SER A 115 42.277 48.092 34.129 1.00 0.00 C ATOM 1695 O SER A 115 42.264 46.864 34.353 1.00 0.00 O ATOM 1696 CB SER A 115 41.718 49.251 36.282 1.00 0.00 C ATOM 1697 OG SER A 115 41.644 48.066 37.057 1.00 0.00 O ATOM 1698 OXT SER A 115 43.128 48.648 33.394 1.00 0.00 O ATOM 0 H SER A 115 39.897 47.366 34.841 1.00 0.00 H new ATOM 0 HA SER A 115 41.191 49.897 34.288 1.00 0.00 H new ATOM 0 HB2 SER A 115 42.741 49.628 36.274 1.00 0.00 H new ATOM 0 HB3 SER A 115 41.096 50.027 36.727 1.00 0.00 H new ATOM 0 HG SER A 115 41.778 47.287 36.477 1.00 0.00 H new TER 1704 SER A 115 HETATM 1705 FE1 FES A 201 33.156 33.791 36.994 1.00 0.00 FE HETATM 1706 FE2 FES A 201 32.451 31.410 36.608 1.00 0.00 FE HETATM 1707 S1 FES A 201 34.339 32.303 35.911 1.00 0.00 S HETATM 1708 S2 FES A 201 31.527 32.773 38.032 1.00 0.00 S