USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 829 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 46 CYS SG : rot 67:sc= 0.016 USER MOD Set 1.2: A 48 THR OG1 : rot 101:sc= 1.51 USER MOD Set 2.1: A 40 GLN : amide:sc= -0.426 K(o=-4.6,f=-7.4!) USER MOD Set 2.2: A 45 ASN : amide:sc= -4.12! C(o=-4.6!,f=-9.5!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0906 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0737 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -117:sc= 0.394 (180deg=-0.8) USER MOD Single : A 18 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-2.1) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.251 X(o=-0.25,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.72 K(o=-0.72,f=-3.5!) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.794 K(o=-0.79,f=-2.8!) USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0.707 (180deg=-0.163) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= 0.635 (180deg=-0.206) USER MOD Single : A 60 GLN : amide:sc= -0.11 K(o=-0.11,f=-1.6!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.026) USER MOD Single : A 71 SER OG : rot -120:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 75 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.2) USER MOD Single : A 77 MET CE :methyl 130:sc= -0.209 (180deg=-0.414) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -130:sc= -1.84 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0789 K(o=-0.079,f=-1) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ -157:sc= -0.0693 (180deg=-0.428) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= -0.0869 (180deg=-0.431) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.684 24.152 -27.192 1.00 0.00 N ATOM 2 CA GLY A 1 -5.764 23.756 -26.306 1.00 0.00 C ATOM 3 C GLY A 1 -5.500 22.426 -25.629 1.00 0.00 C ATOM 4 O GLY A 1 -4.504 21.762 -25.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.300 25.068 -26.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.932 23.434 -27.165 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.046 24.238 -28.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.907 24.525 -25.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.692 23.693 -26.875 1.00 0.00 H new ATOM 8 N SER A 2 -6.393 22.036 -24.725 1.00 0.00 N ATOM 9 CA SER A 2 -6.249 20.779 -24.000 1.00 0.00 C ATOM 10 C SER A 2 -7.490 20.489 -23.163 1.00 0.00 C ATOM 11 O SER A 2 -8.321 21.369 -22.939 1.00 0.00 O ATOM 12 CB SER A 2 -5.012 20.823 -23.101 1.00 0.00 C ATOM 13 OG SER A 2 -4.766 19.559 -22.509 1.00 0.00 O ATOM 0 H SER A 2 -7.224 22.573 -24.477 1.00 0.00 H new ATOM 0 HA SER A 2 -6.130 19.979 -24.730 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.145 21.129 -23.686 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.152 21.572 -22.322 1.00 0.00 H new ATOM 0 HG SER A 2 -3.969 19.613 -21.941 1.00 0.00 H new ATOM 19 N SER A 3 -7.610 19.247 -22.703 1.00 0.00 N ATOM 20 CA SER A 3 -8.752 18.839 -21.894 1.00 0.00 C ATOM 21 C SER A 3 -8.548 19.227 -20.432 1.00 0.00 C ATOM 22 O SER A 3 -7.428 19.490 -19.998 1.00 0.00 O ATOM 23 CB SER A 3 -8.969 17.328 -22.006 1.00 0.00 C ATOM 24 OG SER A 3 -7.940 16.614 -21.344 1.00 0.00 O ATOM 0 H SER A 3 -6.930 18.507 -22.877 1.00 0.00 H new ATOM 0 HA SER A 3 -9.635 19.355 -22.270 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.935 17.063 -21.575 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.999 17.039 -23.056 1.00 0.00 H new ATOM 0 HG SER A 3 -8.103 15.651 -21.429 1.00 0.00 H new ATOM 30 N GLY A 4 -9.642 19.260 -19.677 1.00 0.00 N ATOM 31 CA GLY A 4 -9.564 19.617 -18.273 1.00 0.00 C ATOM 32 C GLY A 4 -10.612 18.911 -17.436 1.00 0.00 C ATOM 33 O GLY A 4 -11.497 18.243 -17.971 1.00 0.00 O ATOM 0 H GLY A 4 -10.581 19.046 -20.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.573 19.370 -17.893 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.686 20.695 -18.168 1.00 0.00 H new ATOM 37 N SER A 5 -10.512 19.057 -16.119 1.00 0.00 N ATOM 38 CA SER A 5 -11.456 18.423 -15.205 1.00 0.00 C ATOM 39 C SER A 5 -12.133 19.462 -14.316 1.00 0.00 C ATOM 40 O SER A 5 -11.603 20.553 -14.104 1.00 0.00 O ATOM 41 CB SER A 5 -10.741 17.383 -14.341 1.00 0.00 C ATOM 42 OG SER A 5 -11.671 16.595 -13.618 1.00 0.00 O ATOM 0 H SER A 5 -9.787 19.609 -15.660 1.00 0.00 H new ATOM 0 HA SER A 5 -12.222 17.926 -15.800 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.128 16.740 -14.973 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.067 17.884 -13.647 1.00 0.00 H new ATOM 0 HG SER A 5 -11.189 15.937 -13.075 1.00 0.00 H new ATOM 48 N SER A 6 -13.306 19.114 -13.798 1.00 0.00 N ATOM 49 CA SER A 6 -14.058 20.017 -12.935 1.00 0.00 C ATOM 50 C SER A 6 -13.560 19.933 -11.495 1.00 0.00 C ATOM 51 O SER A 6 -13.747 20.858 -10.707 1.00 0.00 O ATOM 52 CB SER A 6 -15.551 19.683 -12.989 1.00 0.00 C ATOM 53 OG SER A 6 -15.827 18.467 -12.317 1.00 0.00 O ATOM 0 H SER A 6 -13.756 18.213 -13.961 1.00 0.00 H new ATOM 0 HA SER A 6 -13.906 21.034 -13.296 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.124 20.491 -12.535 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.873 19.609 -14.028 1.00 0.00 H new ATOM 0 HG SER A 6 -16.787 18.278 -12.365 1.00 0.00 H new ATOM 59 N GLY A 7 -12.922 18.815 -11.160 1.00 0.00 N ATOM 60 CA GLY A 7 -12.406 18.630 -9.817 1.00 0.00 C ATOM 61 C GLY A 7 -11.622 17.341 -9.670 1.00 0.00 C ATOM 62 O GLY A 7 -12.166 16.250 -9.848 1.00 0.00 O ATOM 0 H GLY A 7 -12.754 18.035 -11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.765 19.473 -9.558 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.235 18.630 -9.109 1.00 0.00 H new ATOM 66 N LEU A 8 -10.340 17.464 -9.345 1.00 0.00 N ATOM 67 CA LEU A 8 -9.478 16.299 -9.175 1.00 0.00 C ATOM 68 C LEU A 8 -9.444 15.855 -7.717 1.00 0.00 C ATOM 69 O LEU A 8 -9.474 14.661 -7.420 1.00 0.00 O ATOM 70 CB LEU A 8 -8.061 16.613 -9.658 1.00 0.00 C ATOM 71 CG LEU A 8 -7.205 15.410 -10.055 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.292 14.321 -8.996 1.00 0.00 C ATOM 73 CD2 LEU A 8 -7.635 14.873 -11.412 1.00 0.00 C ATOM 0 H LEU A 8 -9.874 18.359 -9.194 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.887 15.485 -9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.131 17.282 -10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.542 17.158 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.167 15.735 -10.129 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.677 13.473 -9.295 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.934 14.711 -8.043 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.328 13.998 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.015 14.017 -11.678 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.679 14.564 -11.367 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.520 15.653 -12.165 1.00 0.00 H new ATOM 85 N ALA A 9 -9.382 16.824 -6.810 1.00 0.00 N ATOM 86 CA ALA A 9 -9.348 16.533 -5.382 1.00 0.00 C ATOM 87 C ALA A 9 -10.582 15.747 -4.952 1.00 0.00 C ATOM 88 O ALA A 9 -10.474 14.613 -4.487 1.00 0.00 O ATOM 89 CB ALA A 9 -9.238 17.823 -4.583 1.00 0.00 C ATOM 0 H ALA A 9 -9.354 17.818 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.470 15.918 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.214 17.591 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.323 18.346 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.098 18.458 -4.796 1.00 0.00 H new ATOM 95 N GLU A 10 -11.752 16.357 -5.111 1.00 0.00 N ATOM 96 CA GLU A 10 -13.006 15.713 -4.737 1.00 0.00 C ATOM 97 C GLU A 10 -12.960 14.217 -5.038 1.00 0.00 C ATOM 98 O GLU A 10 -13.454 13.400 -4.260 1.00 0.00 O ATOM 99 CB GLU A 10 -14.178 16.358 -5.481 1.00 0.00 C ATOM 100 CG GLU A 10 -14.110 16.187 -6.989 1.00 0.00 C ATOM 101 CD GLU A 10 -15.374 16.650 -7.686 1.00 0.00 C ATOM 102 OE1 GLU A 10 -16.475 16.296 -7.215 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.262 17.366 -8.703 1.00 0.00 O ATOM 0 H GLU A 10 -11.858 17.296 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.148 15.847 -3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.110 15.927 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.206 17.422 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.260 16.748 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.933 15.137 -7.224 1.00 0.00 H new ATOM 110 N LEU A 11 -12.364 13.866 -6.172 1.00 0.00 N ATOM 111 CA LEU A 11 -12.253 12.469 -6.577 1.00 0.00 C ATOM 112 C LEU A 11 -11.289 11.713 -5.669 1.00 0.00 C ATOM 113 O LEU A 11 -11.595 10.619 -5.195 1.00 0.00 O ATOM 114 CB LEU A 11 -11.782 12.375 -8.030 1.00 0.00 C ATOM 115 CG LEU A 11 -12.882 12.353 -9.092 1.00 0.00 C ATOM 116 CD1 LEU A 11 -13.925 11.297 -8.758 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.530 13.724 -9.217 1.00 0.00 C ATOM 0 H LEU A 11 -11.950 14.529 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.239 12.012 -6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.125 13.221 -8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.182 11.472 -8.139 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.430 12.098 -10.051 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.700 11.296 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.451 10.316 -8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.373 11.521 -7.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.310 13.690 -9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.968 14.008 -8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.777 14.458 -9.503 1.00 0.00 H new ATOM 129 N PHE A 12 -10.124 12.306 -5.428 1.00 0.00 N ATOM 130 CA PHE A 12 -9.115 11.689 -4.574 1.00 0.00 C ATOM 131 C PHE A 12 -9.733 11.198 -3.269 1.00 0.00 C ATOM 132 O PHE A 12 -9.342 10.159 -2.737 1.00 0.00 O ATOM 133 CB PHE A 12 -7.991 12.684 -4.277 1.00 0.00 C ATOM 134 CG PHE A 12 -6.985 12.173 -3.285 1.00 0.00 C ATOM 135 CD1 PHE A 12 -6.239 11.038 -3.557 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.787 12.827 -2.080 1.00 0.00 C ATOM 137 CE1 PHE A 12 -5.312 10.565 -2.647 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.862 12.360 -1.166 1.00 0.00 C ATOM 139 CZ PHE A 12 -5.124 11.227 -1.449 1.00 0.00 C ATOM 0 H PHE A 12 -9.855 13.212 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.701 10.831 -5.104 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.479 12.930 -5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.426 13.609 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.383 10.516 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.362 13.712 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.736 9.680 -2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.716 12.880 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.402 10.859 -0.735 1.00 0.00 H new ATOM 149 N GLU A 13 -10.701 11.953 -2.758 1.00 0.00 N ATOM 150 CA GLU A 13 -11.372 11.595 -1.514 1.00 0.00 C ATOM 151 C GLU A 13 -12.247 10.360 -1.704 1.00 0.00 C ATOM 152 O GLU A 13 -12.191 9.417 -0.915 1.00 0.00 O ATOM 153 CB GLU A 13 -12.223 12.764 -1.014 1.00 0.00 C ATOM 154 CG GLU A 13 -11.472 14.084 -0.958 1.00 0.00 C ATOM 155 CD GLU A 13 -11.990 15.004 0.130 1.00 0.00 C ATOM 156 OE1 GLU A 13 -11.514 14.893 1.279 1.00 0.00 O ATOM 157 OE2 GLU A 13 -12.872 15.837 -0.168 1.00 0.00 O ATOM 0 H GLU A 13 -11.038 12.815 -3.186 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.608 11.367 -0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.090 12.876 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.601 12.528 -0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.413 13.888 -0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.554 14.586 -1.922 1.00 0.00 H new ATOM 164 N LYS A 14 -13.057 10.372 -2.758 1.00 0.00 N ATOM 165 CA LYS A 14 -13.945 9.254 -3.054 1.00 0.00 C ATOM 166 C LYS A 14 -13.147 7.980 -3.315 1.00 0.00 C ATOM 167 O LYS A 14 -13.385 6.948 -2.687 1.00 0.00 O ATOM 168 CB LYS A 14 -14.819 9.578 -4.267 1.00 0.00 C ATOM 169 CG LYS A 14 -16.117 10.282 -3.911 1.00 0.00 C ATOM 170 CD LYS A 14 -16.696 11.021 -5.106 1.00 0.00 C ATOM 171 CE LYS A 14 -16.015 12.365 -5.314 1.00 0.00 C ATOM 172 NZ LYS A 14 -16.292 13.307 -4.194 1.00 0.00 N ATOM 0 H LYS A 14 -13.116 11.144 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.584 9.090 -2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.252 10.205 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.050 8.653 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.840 9.552 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.939 10.986 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.582 10.411 -6.002 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.765 11.173 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.939 12.216 -5.406 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.357 12.804 -6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.816 14.130 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.860 12.826 -3.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.394 13.624 -3.776 1.00 0.00 H new ATOM 186 N ALA A 15 -12.199 8.060 -4.243 1.00 0.00 N ATOM 187 CA ALA A 15 -11.364 6.915 -4.583 1.00 0.00 C ATOM 188 C ALA A 15 -10.795 6.259 -3.330 1.00 0.00 C ATOM 189 O ALA A 15 -10.854 5.040 -3.174 1.00 0.00 O ATOM 190 CB ALA A 15 -10.240 7.340 -5.516 1.00 0.00 C ATOM 0 H ALA A 15 -11.990 8.906 -4.773 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.987 6.181 -5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.624 6.475 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.664 7.755 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.626 8.095 -5.025 1.00 0.00 H new ATOM 196 N ALA A 16 -10.242 7.076 -2.439 1.00 0.00 N ATOM 197 CA ALA A 16 -9.663 6.575 -1.199 1.00 0.00 C ATOM 198 C ALA A 16 -10.595 5.576 -0.522 1.00 0.00 C ATOM 199 O ALA A 16 -10.172 4.494 -0.115 1.00 0.00 O ATOM 200 CB ALA A 16 -9.350 7.729 -0.258 1.00 0.00 C ATOM 0 H ALA A 16 -10.183 8.088 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.735 6.058 -1.444 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.918 7.340 0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.640 8.405 -0.735 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.268 8.270 -0.028 1.00 0.00 H new ATOM 206 N ALA A 17 -11.866 5.947 -0.403 1.00 0.00 N ATOM 207 CA ALA A 17 -12.859 5.083 0.224 1.00 0.00 C ATOM 208 C ALA A 17 -13.029 3.785 -0.559 1.00 0.00 C ATOM 209 O ALA A 17 -13.339 2.739 0.013 1.00 0.00 O ATOM 210 CB ALA A 17 -14.191 5.808 0.343 1.00 0.00 C ATOM 0 H ALA A 17 -12.232 6.840 -0.733 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.505 4.831 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.922 5.150 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -14.065 6.704 0.951 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.542 6.090 -0.650 1.00 0.00 H new ATOM 216 N HIS A 18 -12.825 3.859 -1.870 1.00 0.00 N ATOM 217 CA HIS A 18 -12.957 2.689 -2.732 1.00 0.00 C ATOM 218 C HIS A 18 -11.763 1.754 -2.564 1.00 0.00 C ATOM 219 O HIS A 18 -11.886 0.539 -2.721 1.00 0.00 O ATOM 220 CB HIS A 18 -13.083 3.118 -4.194 1.00 0.00 C ATOM 221 CG HIS A 18 -13.896 2.175 -5.026 1.00 0.00 C ATOM 222 ND1 HIS A 18 -15.069 1.601 -4.584 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.700 1.708 -6.282 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.559 0.820 -5.531 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.747 0.868 -6.572 1.00 0.00 N ATOM 0 H HIS A 18 -12.568 4.716 -2.359 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.860 2.153 -2.440 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.535 4.109 -4.236 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.086 3.204 -4.626 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.874 1.951 -6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.468 0.241 -5.465 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.877 0.363 -7.449 1.00 0.00 H new ATOM 234 N LEU A 19 -10.608 2.329 -2.246 1.00 0.00 N ATOM 235 CA LEU A 19 -9.391 1.547 -2.058 1.00 0.00 C ATOM 236 C LEU A 19 -9.654 0.334 -1.172 1.00 0.00 C ATOM 237 O LEU A 19 -9.336 -0.796 -1.541 1.00 0.00 O ATOM 238 CB LEU A 19 -8.294 2.416 -1.440 1.00 0.00 C ATOM 239 CG LEU A 19 -6.856 2.036 -1.797 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.870 2.921 -1.051 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.599 0.569 -1.487 1.00 0.00 C ATOM 0 H LEU A 19 -10.489 3.333 -2.113 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.060 1.195 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.462 3.449 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.399 2.382 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.715 2.190 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.852 2.636 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.038 3.963 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.012 2.799 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.571 0.317 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.759 0.388 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.283 -0.051 -2.067 1.00 0.00 H new ATOM 253 N GLN A 20 -10.239 0.577 -0.003 1.00 0.00 N ATOM 254 CA GLN A 20 -10.546 -0.497 0.934 1.00 0.00 C ATOM 255 C GLN A 20 -11.411 -1.565 0.274 1.00 0.00 C ATOM 256 O GLN A 20 -11.401 -2.726 0.681 1.00 0.00 O ATOM 257 CB GLN A 20 -11.258 0.062 2.167 1.00 0.00 C ATOM 258 CG GLN A 20 -10.449 1.110 2.914 1.00 0.00 C ATOM 259 CD GLN A 20 -9.547 0.506 3.973 1.00 0.00 C ATOM 260 OE1 GLN A 20 -9.894 0.472 5.154 1.00 0.00 O ATOM 261 NE2 GLN A 20 -8.382 0.026 3.555 1.00 0.00 N ATOM 0 H GLN A 20 -10.509 1.507 0.317 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.606 -0.956 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -12.208 0.499 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.489 -0.759 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.843 1.671 2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.128 1.821 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.135 0.075 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.734 -0.392 4.222 1.00 0.00 H new ATOM 270 N GLY A 21 -12.161 -1.164 -0.749 1.00 0.00 N ATOM 271 CA GLY A 21 -13.022 -2.099 -1.449 1.00 0.00 C ATOM 272 C GLY A 21 -12.308 -2.808 -2.583 1.00 0.00 C ATOM 273 O GLY A 21 -12.823 -3.777 -3.141 1.00 0.00 O ATOM 0 H GLY A 21 -12.187 -0.208 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.400 -2.839 -0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.886 -1.566 -1.845 1.00 0.00 H new ATOM 277 N LEU A 22 -11.120 -2.322 -2.926 1.00 0.00 N ATOM 278 CA LEU A 22 -10.334 -2.915 -4.003 1.00 0.00 C ATOM 279 C LEU A 22 -9.086 -3.599 -3.454 1.00 0.00 C ATOM 280 O LEU A 22 -8.140 -3.872 -4.193 1.00 0.00 O ATOM 281 CB LEU A 22 -9.937 -1.843 -5.020 1.00 0.00 C ATOM 282 CG LEU A 22 -11.062 -0.930 -5.507 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.515 0.142 -6.438 1.00 0.00 C ATOM 284 CD2 LEU A 22 -12.144 -1.742 -6.203 1.00 0.00 C ATOM 0 H LEU A 22 -10.680 -1.520 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.949 -3.667 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.158 -1.222 -4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.497 -2.338 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.505 -0.438 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.330 0.782 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.777 0.743 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.045 -0.330 -7.301 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.937 -1.076 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.715 -2.262 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.557 -2.471 -5.506 1.00 0.00 H new ATOM 296 N ILE A 23 -9.092 -3.873 -2.154 1.00 0.00 N ATOM 297 CA ILE A 23 -7.962 -4.529 -1.507 1.00 0.00 C ATOM 298 C ILE A 23 -7.783 -5.952 -2.023 1.00 0.00 C ATOM 299 O ILE A 23 -6.660 -6.410 -2.231 1.00 0.00 O ATOM 300 CB ILE A 23 -8.134 -4.567 0.023 1.00 0.00 C ATOM 301 CG1 ILE A 23 -8.407 -3.162 0.563 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.898 -5.162 0.680 1.00 0.00 C ATOM 303 CD1 ILE A 23 -7.203 -2.248 0.505 1.00 0.00 C ATOM 0 H ILE A 23 -9.866 -3.651 -1.528 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.076 -3.943 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.989 -5.200 0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.221 -2.714 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.746 -3.238 1.596 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.035 -5.182 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.745 -6.177 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.027 -4.553 0.436 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.470 -1.269 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.394 -2.674 1.099 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.876 -2.142 -0.529 1.00 0.00 H new ATOM 315 N GLN A 24 -8.898 -6.646 -2.229 1.00 0.00 N ATOM 316 CA GLN A 24 -8.863 -8.018 -2.723 1.00 0.00 C ATOM 317 C GLN A 24 -8.377 -8.065 -4.167 1.00 0.00 C ATOM 318 O GLN A 24 -7.958 -9.113 -4.659 1.00 0.00 O ATOM 319 CB GLN A 24 -10.250 -8.655 -2.618 1.00 0.00 C ATOM 320 CG GLN A 24 -10.888 -8.501 -1.247 1.00 0.00 C ATOM 321 CD GLN A 24 -12.402 -8.450 -1.310 1.00 0.00 C ATOM 322 OE1 GLN A 24 -13.041 -7.696 -0.574 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.986 -9.253 -2.192 1.00 0.00 N ATOM 0 H GLN A 24 -9.836 -6.281 -2.062 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.164 -8.582 -2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.904 -8.207 -3.366 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.172 -9.716 -2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.582 -9.333 -0.613 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.517 -7.590 -0.778 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.418 -9.861 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -14.002 -9.261 -2.280 1.00 0.00 H new ATOM 332 N VAL A 25 -8.436 -6.922 -4.844 1.00 0.00 N ATOM 333 CA VAL A 25 -8.001 -6.832 -6.233 1.00 0.00 C ATOM 334 C VAL A 25 -6.666 -6.105 -6.344 1.00 0.00 C ATOM 335 O VAL A 25 -5.987 -6.185 -7.368 1.00 0.00 O ATOM 336 CB VAL A 25 -9.044 -6.104 -7.102 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.306 -6.942 -7.235 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.361 -4.736 -6.518 1.00 0.00 C ATOM 0 H VAL A 25 -8.781 -6.045 -4.453 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.887 -7.853 -6.596 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.626 -5.960 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.031 -6.412 -7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.062 -7.896 -7.701 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.731 -7.119 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.099 -4.235 -7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.760 -4.854 -5.510 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.451 -4.137 -6.480 1.00 0.00 H new ATOM 348 N ALA A 26 -6.295 -5.394 -5.284 1.00 0.00 N ATOM 349 CA ALA A 26 -5.039 -4.654 -5.262 1.00 0.00 C ATOM 350 C ALA A 26 -3.903 -5.517 -4.723 1.00 0.00 C ATOM 351 O ALA A 26 -4.022 -6.121 -3.657 1.00 0.00 O ATOM 352 CB ALA A 26 -5.186 -3.390 -4.428 1.00 0.00 C ATOM 0 H ALA A 26 -6.846 -5.315 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.793 -4.374 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.241 -2.847 -4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.963 -2.759 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.459 -3.657 -3.407 1.00 0.00 H new ATOM 358 N SER A 27 -2.803 -5.570 -5.467 1.00 0.00 N ATOM 359 CA SER A 27 -1.646 -6.362 -5.065 1.00 0.00 C ATOM 360 C SER A 27 -0.803 -5.612 -4.039 1.00 0.00 C ATOM 361 O SER A 27 -0.709 -4.385 -4.074 1.00 0.00 O ATOM 362 CB SER A 27 -0.793 -6.712 -6.286 1.00 0.00 C ATOM 363 OG SER A 27 -0.125 -7.949 -6.104 1.00 0.00 O ATOM 0 H SER A 27 -2.688 -5.074 -6.351 1.00 0.00 H new ATOM 0 HA SER A 27 -2.008 -7.283 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.425 -6.763 -7.172 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.062 -5.923 -6.461 1.00 0.00 H new ATOM 0 HG SER A 27 0.412 -8.151 -6.899 1.00 0.00 H new ATOM 369 N ARG A 28 -0.191 -6.359 -3.125 1.00 0.00 N ATOM 370 CA ARG A 28 0.643 -5.765 -2.088 1.00 0.00 C ATOM 371 C ARG A 28 1.409 -4.561 -2.628 1.00 0.00 C ATOM 372 O ARG A 28 1.705 -3.621 -1.892 1.00 0.00 O ATOM 373 CB ARG A 28 1.624 -6.802 -1.538 1.00 0.00 C ATOM 374 CG ARG A 28 2.723 -7.181 -2.517 1.00 0.00 C ATOM 375 CD ARG A 28 2.313 -8.358 -3.387 1.00 0.00 C ATOM 376 NE ARG A 28 3.140 -8.468 -4.586 1.00 0.00 N ATOM 377 CZ ARG A 28 3.315 -9.601 -5.257 1.00 0.00 C ATOM 378 NH1 ARG A 28 2.723 -10.715 -4.849 1.00 0.00 N ATOM 379 NH2 ARG A 28 4.082 -9.620 -6.339 1.00 0.00 N ATOM 0 H ARG A 28 -0.257 -7.376 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.009 -5.427 -1.282 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.079 -6.412 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.072 -7.700 -1.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.960 -6.325 -3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.630 -7.432 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.388 -9.279 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.268 -8.248 -3.677 1.00 0.00 H new ATOM 0 HE ARG A 28 3.609 -7.629 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.132 -10.703 -4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.859 -11.584 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.538 -8.764 -6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.216 -10.490 -6.854 1.00 0.00 H new ATOM 393 N GLU A 29 1.726 -4.599 -3.919 1.00 0.00 N ATOM 394 CA GLU A 29 2.459 -3.511 -4.557 1.00 0.00 C ATOM 395 C GLU A 29 1.551 -2.306 -4.788 1.00 0.00 C ATOM 396 O GLU A 29 1.900 -1.179 -4.440 1.00 0.00 O ATOM 397 CB GLU A 29 3.054 -3.979 -5.887 1.00 0.00 C ATOM 398 CG GLU A 29 4.449 -4.566 -5.756 1.00 0.00 C ATOM 399 CD GLU A 29 5.537 -3.518 -5.885 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.589 -2.608 -5.033 1.00 0.00 O ATOM 401 OE2 GLU A 29 6.338 -3.610 -6.840 1.00 0.00 O ATOM 0 H GLU A 29 1.487 -5.370 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 29 3.268 -3.212 -3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.394 -4.726 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.087 -3.136 -6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.541 -5.063 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.592 -5.329 -6.522 1.00 0.00 H new ATOM 408 N GLN A 30 0.387 -2.555 -5.379 1.00 0.00 N ATOM 409 CA GLN A 30 -0.570 -1.491 -5.659 1.00 0.00 C ATOM 410 C GLN A 30 -0.848 -0.667 -4.406 1.00 0.00 C ATOM 411 O GLN A 30 -0.817 0.564 -4.440 1.00 0.00 O ATOM 412 CB GLN A 30 -1.875 -2.079 -6.198 1.00 0.00 C ATOM 413 CG GLN A 30 -1.756 -2.635 -7.607 1.00 0.00 C ATOM 414 CD GLN A 30 -1.827 -1.554 -8.669 1.00 0.00 C ATOM 415 OE1 GLN A 30 -1.268 -0.470 -8.505 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.517 -1.846 -9.765 1.00 0.00 N ATOM 0 H GLN A 30 0.084 -3.483 -5.673 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.137 -0.835 -6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.209 -2.873 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.644 -1.307 -6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.812 -3.172 -7.703 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.553 -3.359 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.964 -2.758 -9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.600 -1.158 -10.514 1.00 0.00 H new ATOM 425 N LEU A 31 -1.121 -1.352 -3.301 1.00 0.00 N ATOM 426 CA LEU A 31 -1.406 -0.683 -2.037 1.00 0.00 C ATOM 427 C LEU A 31 -0.385 0.416 -1.760 1.00 0.00 C ATOM 428 O LEU A 31 -0.747 1.570 -1.526 1.00 0.00 O ATOM 429 CB LEU A 31 -1.405 -1.696 -0.890 1.00 0.00 C ATOM 430 CG LEU A 31 -2.679 -2.527 -0.727 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.896 -1.622 -0.618 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.835 -3.496 -1.890 1.00 0.00 C ATOM 0 H LEU A 31 -1.151 -2.371 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.393 -0.226 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.567 -2.377 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.223 -1.160 0.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.598 -3.105 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.793 -2.231 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.787 -0.969 0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.982 -1.017 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.746 -4.079 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.894 -2.937 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.977 -4.167 -1.922 1.00 0.00 H new ATOM 444 N LEU A 32 0.892 0.051 -1.790 1.00 0.00 N ATOM 445 CA LEU A 32 1.966 1.007 -1.545 1.00 0.00 C ATOM 446 C LEU A 32 1.924 2.146 -2.560 1.00 0.00 C ATOM 447 O LEU A 32 2.004 3.319 -2.195 1.00 0.00 O ATOM 448 CB LEU A 32 3.324 0.305 -1.606 1.00 0.00 C ATOM 449 CG LEU A 32 4.450 0.950 -0.798 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.478 0.394 0.617 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.791 0.734 -1.485 1.00 0.00 C ATOM 0 H LEU A 32 1.209 -0.899 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 32 1.825 1.427 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.196 -0.720 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.637 0.252 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 32 4.262 2.022 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.286 0.865 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.527 0.601 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.641 -0.683 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.581 1.200 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.987 -0.335 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.767 1.182 -2.478 1.00 0.00 H new ATOM 463 N TYR A 33 1.797 1.792 -3.833 1.00 0.00 N ATOM 464 CA TYR A 33 1.744 2.784 -4.901 1.00 0.00 C ATOM 465 C TYR A 33 0.840 3.951 -4.516 1.00 0.00 C ATOM 466 O TYR A 33 1.173 5.113 -4.750 1.00 0.00 O ATOM 467 CB TYR A 33 1.244 2.143 -6.197 1.00 0.00 C ATOM 468 CG TYR A 33 1.368 3.044 -7.405 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.608 3.306 -7.975 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.247 3.633 -7.975 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.726 4.130 -9.078 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.355 4.456 -9.079 1.00 0.00 C ATOM 473 CZ TYR A 33 1.597 4.702 -9.627 1.00 0.00 C ATOM 474 OH TYR A 33 1.710 5.522 -10.726 1.00 0.00 O ATOM 0 H TYR A 33 1.729 0.825 -4.152 1.00 0.00 H new ATOM 0 HA TYR A 33 2.753 3.166 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.805 1.226 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.199 1.858 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.494 2.858 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.727 3.444 -7.547 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.697 4.325 -9.508 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.528 4.904 -9.511 1.00 0.00 H new ATOM 0 HH TYR A 33 0.894 5.460 -11.266 1.00 0.00 H new ATOM 484 N LEU A 34 -0.306 3.633 -3.923 1.00 0.00 N ATOM 485 CA LEU A 34 -1.259 4.653 -3.503 1.00 0.00 C ATOM 486 C LEU A 34 -0.810 5.318 -2.206 1.00 0.00 C ATOM 487 O LEU A 34 -1.162 6.466 -1.930 1.00 0.00 O ATOM 488 CB LEU A 34 -2.648 4.038 -3.320 1.00 0.00 C ATOM 489 CG LEU A 34 -3.123 3.109 -4.438 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.495 2.539 -4.112 1.00 0.00 C ATOM 491 CD2 LEU A 34 -3.153 3.848 -5.768 1.00 0.00 C ATOM 0 H LEU A 34 -0.597 2.676 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.305 5.414 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.656 3.480 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.371 4.847 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.419 2.281 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.816 1.880 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.442 1.974 -3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.211 3.354 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.493 3.172 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.835 4.695 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.152 4.207 -6.007 1.00 0.00 H new ATOM 503 N TYR A 35 -0.030 4.591 -1.414 1.00 0.00 N ATOM 504 CA TYR A 35 0.467 5.109 -0.145 1.00 0.00 C ATOM 505 C TYR A 35 1.416 6.282 -0.371 1.00 0.00 C ATOM 506 O TYR A 35 1.241 7.356 0.204 1.00 0.00 O ATOM 507 CB TYR A 35 1.180 4.005 0.637 1.00 0.00 C ATOM 508 CG TYR A 35 1.912 4.506 1.862 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.103 5.211 1.743 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.412 4.274 3.137 1.00 0.00 C ATOM 511 CE1 TYR A 35 3.775 5.670 2.859 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.076 4.731 4.259 1.00 0.00 C ATOM 513 CZ TYR A 35 3.258 5.428 4.115 1.00 0.00 C ATOM 514 OH TYR A 35 3.924 5.883 5.230 1.00 0.00 O ATOM 0 H TYR A 35 0.272 3.641 -1.629 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.387 5.461 0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.448 3.257 0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.891 3.506 -0.022 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.510 5.403 0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.488 3.727 3.253 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.701 6.216 2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 35 1.672 4.544 5.243 1.00 0.00 H new ATOM 0 HH TYR A 35 3.426 5.630 6.035 1.00 0.00 H new ATOM 524 N ALA A 36 2.422 6.068 -1.213 1.00 0.00 N ATOM 525 CA ALA A 36 3.398 7.107 -1.518 1.00 0.00 C ATOM 526 C ALA A 36 2.710 8.387 -1.979 1.00 0.00 C ATOM 527 O ALA A 36 2.780 9.417 -1.308 1.00 0.00 O ATOM 528 CB ALA A 36 4.374 6.618 -2.578 1.00 0.00 C ATOM 0 H ALA A 36 2.582 5.184 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 36 3.951 7.332 -0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.097 7.403 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.897 5.735 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.828 6.365 -3.487 1.00 0.00 H new ATOM 534 N ARG A 37 2.048 8.317 -3.129 1.00 0.00 N ATOM 535 CA ARG A 37 1.350 9.472 -3.681 1.00 0.00 C ATOM 536 C ARG A 37 0.371 10.052 -2.664 1.00 0.00 C ATOM 537 O ARG A 37 0.247 11.269 -2.531 1.00 0.00 O ATOM 538 CB ARG A 37 0.603 9.081 -4.958 1.00 0.00 C ATOM 539 CG ARG A 37 1.519 8.646 -6.090 1.00 0.00 C ATOM 540 CD ARG A 37 0.741 8.396 -7.372 1.00 0.00 C ATOM 541 NE ARG A 37 1.556 8.629 -8.561 1.00 0.00 N ATOM 542 CZ ARG A 37 2.592 7.872 -8.902 1.00 0.00 C ATOM 543 NH1 ARG A 37 2.938 6.837 -8.148 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.284 8.147 -10.000 1.00 0.00 N ATOM 0 H ARG A 37 1.980 7.472 -3.697 1.00 0.00 H new ATOM 0 HA ARG A 37 2.092 10.233 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.089 8.270 -4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.004 9.928 -5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.273 9.414 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.049 7.738 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.374 7.370 -7.379 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.133 9.047 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 37 1.316 9.417 -9.163 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.408 6.621 -7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.734 6.257 -8.412 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.020 8.941 -10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.080 7.564 -10.261 1.00 0.00 H new ATOM 558 N TYR A 38 -0.322 9.172 -1.949 1.00 0.00 N ATOM 559 CA TYR A 38 -1.292 9.597 -0.947 1.00 0.00 C ATOM 560 C TYR A 38 -0.610 10.366 0.180 1.00 0.00 C ATOM 561 O TYR A 38 -1.173 11.309 0.735 1.00 0.00 O ATOM 562 CB TYR A 38 -2.031 8.385 -0.377 1.00 0.00 C ATOM 563 CG TYR A 38 -2.961 8.725 0.766 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.461 9.147 1.992 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.339 8.623 0.620 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.307 9.459 3.039 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.192 8.934 1.661 1.00 0.00 C ATOM 568 CZ TYR A 38 -4.671 9.351 2.869 1.00 0.00 C ATOM 569 OH TYR A 38 -5.518 9.660 3.909 1.00 0.00 O ATOM 0 H TYR A 38 -0.230 8.161 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.010 10.259 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.606 7.913 -1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.300 7.653 -0.034 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.393 9.233 2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.750 8.295 -0.323 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.902 9.786 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.261 8.851 1.530 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.447 9.532 3.624 1.00 0.00 H new ATOM 579 N LYS A 39 0.610 9.956 0.514 1.00 0.00 N ATOM 580 CA LYS A 39 1.373 10.606 1.573 1.00 0.00 C ATOM 581 C LYS A 39 1.970 11.922 1.084 1.00 0.00 C ATOM 582 O LYS A 39 2.325 12.786 1.884 1.00 0.00 O ATOM 583 CB LYS A 39 2.487 9.681 2.068 1.00 0.00 C ATOM 584 CG LYS A 39 2.036 8.705 3.141 1.00 0.00 C ATOM 585 CD LYS A 39 1.778 9.410 4.462 1.00 0.00 C ATOM 586 CE LYS A 39 3.076 9.849 5.122 1.00 0.00 C ATOM 587 NZ LYS A 39 2.947 9.929 6.603 1.00 0.00 N ATOM 0 H LYS A 39 1.091 9.176 0.066 1.00 0.00 H new ATOM 0 HA LYS A 39 0.693 10.820 2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.884 9.120 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.304 10.287 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.128 8.198 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.798 7.938 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.142 10.279 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.235 8.743 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.870 9.148 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.371 10.822 4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.853 10.231 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.207 10.617 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.690 8.994 6.980 1.00 0.00 H new ATOM 601 N GLN A 40 2.075 12.066 -0.233 1.00 0.00 N ATOM 602 CA GLN A 40 2.628 13.277 -0.827 1.00 0.00 C ATOM 603 C GLN A 40 1.559 14.357 -0.956 1.00 0.00 C ATOM 604 O GLN A 40 1.856 15.550 -0.894 1.00 0.00 O ATOM 605 CB GLN A 40 3.228 12.969 -2.199 1.00 0.00 C ATOM 606 CG GLN A 40 3.741 14.200 -2.929 1.00 0.00 C ATOM 607 CD GLN A 40 5.035 14.730 -2.342 1.00 0.00 C ATOM 608 OE1 GLN A 40 5.743 14.019 -1.628 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.351 15.984 -2.640 1.00 0.00 N ATOM 0 H GLN A 40 1.784 11.359 -0.909 1.00 0.00 H new ATOM 0 HA GLN A 40 3.415 13.648 -0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.048 12.261 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.473 12.480 -2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.896 13.956 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.983 14.982 -2.892 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.735 16.537 -3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.210 16.394 -2.273 1.00 0.00 H new ATOM 618 N VAL A 41 0.313 13.930 -1.138 1.00 0.00 N ATOM 619 CA VAL A 41 -0.801 14.861 -1.276 1.00 0.00 C ATOM 620 C VAL A 41 -1.273 15.359 0.086 1.00 0.00 C ATOM 621 O VAL A 41 -1.828 16.452 0.201 1.00 0.00 O ATOM 622 CB VAL A 41 -1.988 14.210 -2.011 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.500 13.414 -3.212 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.783 13.326 -1.062 1.00 0.00 C ATOM 0 H VAL A 41 0.050 12.946 -1.193 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.438 15.705 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.647 15.000 -2.372 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.352 12.961 -3.719 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.979 14.078 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.819 12.631 -2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.618 12.874 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.137 12.541 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.165 13.928 -0.238 1.00 0.00 H new ATOM 634 N LYS A 42 -1.048 14.551 1.116 1.00 0.00 N ATOM 635 CA LYS A 42 -1.448 14.909 2.472 1.00 0.00 C ATOM 636 C LYS A 42 -0.313 15.616 3.205 1.00 0.00 C ATOM 637 O LYS A 42 -0.517 16.656 3.831 1.00 0.00 O ATOM 638 CB LYS A 42 -1.870 13.659 3.248 1.00 0.00 C ATOM 639 CG LYS A 42 -3.159 13.036 2.742 1.00 0.00 C ATOM 640 CD LYS A 42 -4.363 13.907 3.060 1.00 0.00 C ATOM 641 CE LYS A 42 -5.667 13.194 2.740 1.00 0.00 C ATOM 642 NZ LYS A 42 -6.774 13.635 3.634 1.00 0.00 N ATOM 0 H LYS A 42 -0.590 13.643 1.038 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.295 15.592 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.072 12.919 3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.990 13.918 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.093 12.885 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.291 12.053 3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.346 14.181 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.304 14.833 2.489 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.940 13.385 1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.526 12.118 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.646 13.126 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.525 13.430 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.926 14.658 3.520 1.00 0.00 H new ATOM 656 N VAL A 43 0.885 15.046 3.122 1.00 0.00 N ATOM 657 CA VAL A 43 2.054 15.623 3.775 1.00 0.00 C ATOM 658 C VAL A 43 2.863 16.474 2.803 1.00 0.00 C ATOM 659 O VAL A 43 2.949 17.693 2.951 1.00 0.00 O ATOM 660 CB VAL A 43 2.965 14.530 4.364 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.103 15.154 5.158 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.159 13.576 5.232 1.00 0.00 C ATOM 0 H VAL A 43 1.071 14.185 2.609 1.00 0.00 H new ATOM 0 HA VAL A 43 1.685 16.253 4.584 1.00 0.00 H new ATOM 0 HB VAL A 43 3.397 13.960 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.736 14.366 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.696 15.793 4.504 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.694 15.750 5.974 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.818 12.810 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.697 14.130 6.049 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.383 13.103 4.630 1.00 0.00 H new ATOM 672 N GLY A 44 3.454 15.823 1.805 1.00 0.00 N ATOM 673 CA GLY A 44 4.249 16.536 0.822 1.00 0.00 C ATOM 674 C GLY A 44 5.665 16.004 0.724 1.00 0.00 C ATOM 675 O GLY A 44 5.910 14.826 0.978 1.00 0.00 O ATOM 0 H GLY A 44 3.396 14.815 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.768 16.461 -0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.279 17.594 1.082 1.00 0.00 H new ATOM 679 N ASN A 45 6.598 16.874 0.354 1.00 0.00 N ATOM 680 CA ASN A 45 7.997 16.484 0.221 1.00 0.00 C ATOM 681 C ASN A 45 8.475 15.741 1.464 1.00 0.00 C ATOM 682 O ASN A 45 8.540 16.311 2.554 1.00 0.00 O ATOM 683 CB ASN A 45 8.871 17.717 -0.018 1.00 0.00 C ATOM 684 CG ASN A 45 8.446 18.499 -1.246 1.00 0.00 C ATOM 685 OD1 ASN A 45 7.295 18.422 -1.676 1.00 0.00 O ATOM 686 ND2 ASN A 45 9.376 19.257 -1.816 1.00 0.00 N ATOM 0 H ASN A 45 6.411 17.854 0.141 1.00 0.00 H new ATOM 0 HA ASN A 45 8.082 15.815 -0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.825 18.366 0.856 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.910 17.406 -0.130 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.149 19.806 -2.645 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.317 19.290 -1.425 1.00 0.00 H new ATOM 693 N CYS A 46 8.809 14.467 1.293 1.00 0.00 N ATOM 694 CA CYS A 46 9.282 13.644 2.401 1.00 0.00 C ATOM 695 C CYS A 46 10.135 14.466 3.362 1.00 0.00 C ATOM 696 O CYS A 46 11.117 15.088 2.959 1.00 0.00 O ATOM 697 CB CYS A 46 10.086 12.455 1.874 1.00 0.00 C ATOM 698 SG CYS A 46 10.399 11.171 3.108 1.00 0.00 S ATOM 0 H CYS A 46 8.761 13.981 0.398 1.00 0.00 H new ATOM 0 HA CYS A 46 8.412 13.272 2.943 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.552 12.013 1.033 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.040 12.816 1.491 1.00 0.00 H new ATOM 0 HG CYS A 46 9.277 10.604 3.439 1.00 0.00 H new ATOM 704 N ASN A 47 9.753 14.463 4.635 1.00 0.00 N ATOM 705 CA ASN A 47 10.482 15.209 5.654 1.00 0.00 C ATOM 706 C ASN A 47 10.868 14.304 6.820 1.00 0.00 C ATOM 707 O ASN A 47 10.863 14.726 7.977 1.00 0.00 O ATOM 708 CB ASN A 47 9.637 16.380 6.160 1.00 0.00 C ATOM 709 CG ASN A 47 8.298 15.930 6.714 1.00 0.00 C ATOM 710 OD1 ASN A 47 8.218 14.949 7.454 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.239 16.647 6.357 1.00 0.00 N ATOM 0 H ASN A 47 8.943 13.952 4.985 1.00 0.00 H new ATOM 0 HA ASN A 47 11.395 15.597 5.202 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.187 16.913 6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.472 17.084 5.345 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.312 16.392 6.698 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.352 17.452 5.742 1.00 0.00 H new ATOM 718 N THR A 48 11.203 13.056 6.507 1.00 0.00 N ATOM 719 CA THR A 48 11.591 12.091 7.528 1.00 0.00 C ATOM 720 C THR A 48 12.928 11.442 7.190 1.00 0.00 C ATOM 721 O THR A 48 13.243 11.180 6.029 1.00 0.00 O ATOM 722 CB THR A 48 10.526 10.990 7.694 1.00 0.00 C ATOM 723 OG1 THR A 48 10.196 10.431 6.418 1.00 0.00 O ATOM 724 CG2 THR A 48 9.271 11.546 8.350 1.00 0.00 C ATOM 0 H THR A 48 11.213 12.690 5.555 1.00 0.00 H new ATOM 0 HA THR A 48 11.683 12.641 8.465 1.00 0.00 H new ATOM 0 HB THR A 48 10.938 10.211 8.336 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.657 9.573 6.308 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.533 10.751 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.520 11.944 9.334 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.859 12.342 7.730 1.00 0.00 H new ATOM 732 N PRO A 49 13.736 11.174 8.227 1.00 0.00 N ATOM 733 CA PRO A 49 15.052 10.550 8.065 1.00 0.00 C ATOM 734 C PRO A 49 14.953 9.089 7.638 1.00 0.00 C ATOM 735 O PRO A 49 14.043 8.371 8.052 1.00 0.00 O ATOM 736 CB PRO A 49 15.671 10.659 9.461 1.00 0.00 C ATOM 737 CG PRO A 49 14.506 10.729 10.387 1.00 0.00 C ATOM 738 CD PRO A 49 13.425 11.458 9.638 1.00 0.00 C ATOM 0 HA PRO A 49 15.639 11.034 7.285 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.302 9.798 9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.299 11.545 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.176 9.731 10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.768 11.255 11.305 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.433 11.097 9.911 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.443 12.528 9.846 1.00 0.00 H new ATOM 746 N LYS A 50 15.896 8.655 6.809 1.00 0.00 N ATOM 747 CA LYS A 50 15.916 7.279 6.327 1.00 0.00 C ATOM 748 C LYS A 50 15.666 6.299 7.468 1.00 0.00 C ATOM 749 O LYS A 50 16.318 6.344 8.512 1.00 0.00 O ATOM 750 CB LYS A 50 17.259 6.970 5.661 1.00 0.00 C ATOM 751 CG LYS A 50 17.219 5.760 4.744 1.00 0.00 C ATOM 752 CD LYS A 50 18.223 5.886 3.610 1.00 0.00 C ATOM 753 CE LYS A 50 17.854 4.990 2.437 1.00 0.00 C ATOM 754 NZ LYS A 50 16.750 5.569 1.623 1.00 0.00 N ATOM 0 H LYS A 50 16.657 9.236 6.457 1.00 0.00 H new ATOM 0 HA LYS A 50 15.118 7.166 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.579 7.840 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.009 6.805 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.430 4.859 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 50 16.216 5.647 4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 50 18.269 6.923 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 50 19.217 5.623 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.730 4.839 1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.556 4.010 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.258 4.807 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.078 6.059 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.142 6.246 0.938 1.00 0.00 H new ATOM 768 N PRO A 51 14.701 5.389 7.268 1.00 0.00 N ATOM 769 CA PRO A 51 14.344 4.379 8.269 1.00 0.00 C ATOM 770 C PRO A 51 15.434 3.328 8.445 1.00 0.00 C ATOM 771 O PRO A 51 16.405 3.294 7.690 1.00 0.00 O ATOM 772 CB PRO A 51 13.076 3.744 7.695 1.00 0.00 C ATOM 773 CG PRO A 51 13.174 3.962 6.225 1.00 0.00 C ATOM 774 CD PRO A 51 13.884 5.276 6.048 1.00 0.00 C ATOM 0 HA PRO A 51 14.208 4.815 9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 51 13.022 2.682 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.180 4.209 8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.726 3.153 5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.185 3.988 5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.501 5.282 5.149 1.00 0.00 H new ATOM 0 HD3 PRO A 51 13.181 6.104 5.957 1.00 0.00 H new ATOM 782 N SER A 52 15.267 2.470 9.447 1.00 0.00 N ATOM 783 CA SER A 52 16.238 1.419 9.724 1.00 0.00 C ATOM 784 C SER A 52 16.146 0.306 8.685 1.00 0.00 C ATOM 785 O SER A 52 15.053 -0.129 8.320 1.00 0.00 O ATOM 786 CB SER A 52 16.015 0.845 11.125 1.00 0.00 C ATOM 787 OG SER A 52 17.181 0.196 11.602 1.00 0.00 O ATOM 0 H SER A 52 14.468 2.483 10.080 1.00 0.00 H new ATOM 0 HA SER A 52 17.235 1.857 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.735 1.646 11.809 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.185 0.139 11.104 1.00 0.00 H new ATOM 0 HG SER A 52 17.013 -0.160 12.499 1.00 0.00 H new ATOM 793 N PHE A 53 17.301 -0.152 8.213 1.00 0.00 N ATOM 794 CA PHE A 53 17.352 -1.214 7.215 1.00 0.00 C ATOM 795 C PHE A 53 16.430 -2.368 7.601 1.00 0.00 C ATOM 796 O PHE A 53 15.777 -2.968 6.747 1.00 0.00 O ATOM 797 CB PHE A 53 18.785 -1.723 7.054 1.00 0.00 C ATOM 798 CG PHE A 53 18.920 -2.824 6.042 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.639 -2.593 4.705 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.328 -4.091 6.427 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.762 -3.604 3.772 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.453 -5.107 5.498 1.00 0.00 C ATOM 803 CZ PHE A 53 19.171 -4.863 4.168 1.00 0.00 C ATOM 0 H PHE A 53 18.214 0.196 8.506 1.00 0.00 H new ATOM 0 HA PHE A 53 17.011 -0.802 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.427 -0.892 6.762 1.00 0.00 H new ATOM 0 HB3 PHE A 53 19.145 -2.081 8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.320 -1.611 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.551 -4.287 7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.539 -3.411 2.733 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.771 -6.090 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.270 -5.654 3.440 1.00 0.00 H new ATOM 813 N PHE A 54 16.384 -2.672 8.894 1.00 0.00 N ATOM 814 CA PHE A 54 15.545 -3.755 9.394 1.00 0.00 C ATOM 815 C PHE A 54 14.069 -3.459 9.144 1.00 0.00 C ATOM 816 O PHE A 54 13.331 -4.307 8.641 1.00 0.00 O ATOM 817 CB PHE A 54 15.787 -3.967 10.890 1.00 0.00 C ATOM 818 CG PHE A 54 16.882 -4.951 11.186 1.00 0.00 C ATOM 819 CD1 PHE A 54 18.166 -4.745 10.706 1.00 0.00 C ATOM 820 CD2 PHE A 54 16.629 -6.083 11.944 1.00 0.00 C ATOM 821 CE1 PHE A 54 19.176 -5.649 10.977 1.00 0.00 C ATOM 822 CE2 PHE A 54 17.635 -6.990 12.219 1.00 0.00 C ATOM 823 CZ PHE A 54 18.910 -6.773 11.733 1.00 0.00 C ATOM 0 H PHE A 54 16.917 -2.184 9.614 1.00 0.00 H new ATOM 0 HA PHE A 54 15.812 -4.665 8.857 1.00 0.00 H new ATOM 0 HB2 PHE A 54 16.035 -3.010 11.349 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.863 -4.313 11.354 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.380 -3.868 10.113 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.634 -6.259 12.325 1.00 0.00 H new ATOM 0 HE1 PHE A 54 20.172 -5.476 10.598 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.425 -7.867 12.813 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.697 -7.482 11.944 1.00 0.00 H new ATOM 833 N ASP A 55 13.645 -2.251 9.499 1.00 0.00 N ATOM 834 CA ASP A 55 12.258 -1.842 9.313 1.00 0.00 C ATOM 835 C ASP A 55 11.898 -1.798 7.831 1.00 0.00 C ATOM 836 O ASP A 55 11.918 -0.737 7.208 1.00 0.00 O ATOM 837 CB ASP A 55 12.018 -0.472 9.949 1.00 0.00 C ATOM 838 CG ASP A 55 10.574 -0.270 10.362 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.884 -1.278 10.623 1.00 0.00 O ATOM 840 OD2 ASP A 55 10.132 0.897 10.424 1.00 0.00 O ATOM 0 H ASP A 55 14.242 -1.538 9.917 1.00 0.00 H new ATOM 0 HA ASP A 55 11.620 -2.578 9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.661 -0.362 10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.303 0.308 9.243 1.00 0.00 H new ATOM 845 N PHE A 56 11.571 -2.959 7.273 1.00 0.00 N ATOM 846 CA PHE A 56 11.209 -3.054 5.864 1.00 0.00 C ATOM 847 C PHE A 56 9.886 -2.344 5.593 1.00 0.00 C ATOM 848 O PHE A 56 9.779 -1.540 4.667 1.00 0.00 O ATOM 849 CB PHE A 56 11.110 -4.520 5.438 1.00 0.00 C ATOM 850 CG PHE A 56 11.931 -5.448 6.288 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.407 -5.990 7.450 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.227 -5.777 5.925 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.159 -6.844 8.235 1.00 0.00 C ATOM 854 CE2 PHE A 56 13.984 -6.630 6.705 1.00 0.00 C ATOM 855 CZ PHE A 56 13.450 -7.164 7.862 1.00 0.00 C ATOM 0 H PHE A 56 11.549 -3.847 7.775 1.00 0.00 H new ATOM 0 HA PHE A 56 11.990 -2.565 5.281 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.066 -4.832 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.431 -4.611 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.398 -5.742 7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 56 13.650 -5.362 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 56 11.738 -7.260 9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.993 -6.879 6.410 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.041 -7.830 8.473 1.00 0.00 H new ATOM 865 N GLU A 57 8.880 -2.648 6.407 1.00 0.00 N ATOM 866 CA GLU A 57 7.563 -2.040 6.255 1.00 0.00 C ATOM 867 C GLU A 57 7.679 -0.529 6.079 1.00 0.00 C ATOM 868 O GLU A 57 7.015 0.061 5.228 1.00 0.00 O ATOM 869 CB GLU A 57 6.687 -2.358 7.468 1.00 0.00 C ATOM 870 CG GLU A 57 6.686 -3.828 7.850 1.00 0.00 C ATOM 871 CD GLU A 57 5.699 -4.143 8.958 1.00 0.00 C ATOM 872 OE1 GLU A 57 5.524 -3.293 9.856 1.00 0.00 O ATOM 873 OE2 GLU A 57 5.102 -5.239 8.926 1.00 0.00 O ATOM 0 H GLU A 57 8.952 -3.312 7.178 1.00 0.00 H new ATOM 0 HA GLU A 57 7.099 -2.458 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.032 -1.771 8.319 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.664 -2.045 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.444 -4.427 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.688 -4.118 8.168 1.00 0.00 H new ATOM 880 N GLY A 58 8.528 0.093 6.892 1.00 0.00 N ATOM 881 CA GLY A 58 8.716 1.529 6.811 1.00 0.00 C ATOM 882 C GLY A 58 9.713 1.925 5.740 1.00 0.00 C ATOM 883 O GLY A 58 9.693 3.054 5.249 1.00 0.00 O ATOM 0 H GLY A 58 9.089 -0.373 7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.758 2.006 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.057 1.902 7.776 1.00 0.00 H new ATOM 887 N LYS A 59 10.589 0.994 5.377 1.00 0.00 N ATOM 888 CA LYS A 59 11.600 1.250 4.358 1.00 0.00 C ATOM 889 C LYS A 59 10.951 1.528 3.006 1.00 0.00 C ATOM 890 O LYS A 59 11.062 2.630 2.469 1.00 0.00 O ATOM 891 CB LYS A 59 12.552 0.058 4.243 1.00 0.00 C ATOM 892 CG LYS A 59 13.863 0.390 3.552 1.00 0.00 C ATOM 893 CD LYS A 59 14.979 -0.540 3.997 1.00 0.00 C ATOM 894 CE LYS A 59 14.642 -1.994 3.706 1.00 0.00 C ATOM 895 NZ LYS A 59 15.867 -2.826 3.545 1.00 0.00 N ATOM 0 H LYS A 59 10.619 0.055 5.774 1.00 0.00 H new ATOM 0 HA LYS A 59 12.167 2.132 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.764 -0.324 5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.054 -0.742 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.735 0.316 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.139 1.422 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.904 -0.271 3.487 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.156 -0.413 5.065 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.034 -2.395 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.041 -2.053 2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.668 -3.800 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.156 -2.828 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.634 -2.431 4.126 1.00 0.00 H new ATOM 909 N GLN A 60 10.272 0.522 2.463 1.00 0.00 N ATOM 910 CA GLN A 60 9.605 0.660 1.174 1.00 0.00 C ATOM 911 C GLN A 60 8.823 1.967 1.102 1.00 0.00 C ATOM 912 O GLN A 60 9.033 2.781 0.202 1.00 0.00 O ATOM 913 CB GLN A 60 8.666 -0.524 0.933 1.00 0.00 C ATOM 914 CG GLN A 60 7.785 -0.854 2.127 1.00 0.00 C ATOM 915 CD GLN A 60 7.190 -2.246 2.046 1.00 0.00 C ATOM 916 OE1 GLN A 60 7.302 -3.038 2.983 1.00 0.00 O ATOM 917 NE2 GLN A 60 6.553 -2.554 0.922 1.00 0.00 N ATOM 0 H GLN A 60 10.170 -0.396 2.895 1.00 0.00 H new ATOM 0 HA GLN A 60 10.370 0.673 0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.032 -0.305 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.260 -1.401 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.371 -0.766 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.980 -0.122 2.193 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.484 -1.868 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.133 -3.477 0.810 1.00 0.00 H new ATOM 926 N LYS A 61 7.919 2.163 2.056 1.00 0.00 N ATOM 927 CA LYS A 61 7.105 3.372 2.103 1.00 0.00 C ATOM 928 C LYS A 61 7.979 4.619 2.027 1.00 0.00 C ATOM 929 O LYS A 61 7.905 5.382 1.063 1.00 0.00 O ATOM 930 CB LYS A 61 6.269 3.399 3.385 1.00 0.00 C ATOM 931 CG LYS A 61 5.357 2.195 3.543 1.00 0.00 C ATOM 932 CD LYS A 61 4.707 2.163 4.916 1.00 0.00 C ATOM 933 CE LYS A 61 3.491 1.250 4.936 1.00 0.00 C ATOM 934 NZ LYS A 61 2.622 1.510 6.118 1.00 0.00 N ATOM 0 H LYS A 61 7.732 1.499 2.808 1.00 0.00 H new ATOM 0 HA LYS A 61 6.437 3.365 1.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.938 3.452 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.664 4.306 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.584 2.219 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.930 1.281 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.432 1.821 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.411 3.172 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.914 1.393 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.818 0.210 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.804 0.868 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.165 1.349 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.289 2.495 6.094 1.00 0.00 H new ATOM 948 N TRP A 62 8.806 4.820 3.046 1.00 0.00 N ATOM 949 CA TRP A 62 9.695 5.975 3.093 1.00 0.00 C ATOM 950 C TRP A 62 10.271 6.275 1.713 1.00 0.00 C ATOM 951 O TRP A 62 10.252 7.418 1.258 1.00 0.00 O ATOM 952 CB TRP A 62 10.829 5.732 4.091 1.00 0.00 C ATOM 953 CG TRP A 62 11.601 6.972 4.425 1.00 0.00 C ATOM 954 CD1 TRP A 62 11.312 7.879 5.404 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.790 7.441 3.780 1.00 0.00 C ATOM 956 NE1 TRP A 62 12.249 8.884 5.405 1.00 0.00 N ATOM 957 CE2 TRP A 62 13.167 8.638 4.419 1.00 0.00 C ATOM 958 CE3 TRP A 62 13.574 6.965 2.725 1.00 0.00 C ATOM 959 CZ2 TRP A 62 14.292 9.364 4.037 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.690 7.687 2.347 1.00 0.00 C ATOM 961 CH2 TRP A 62 15.041 8.875 3.001 1.00 0.00 C ATOM 0 H TRP A 62 8.880 4.198 3.851 1.00 0.00 H new ATOM 0 HA TRP A 62 9.113 6.837 3.419 1.00 0.00 H new ATOM 0 HB2 TRP A 62 10.413 5.313 5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 62 11.511 4.987 3.681 1.00 0.00 H new ATOM 0 HD1 TRP A 62 10.471 7.816 6.078 1.00 0.00 H new ATOM 0 HE1 TRP A 62 12.259 9.684 6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 62 13.312 6.050 2.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 14.564 10.280 4.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 15.303 7.329 1.533 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.920 9.416 2.682 1.00 0.00 H new ATOM 972 N GLU A 63 10.783 5.240 1.053 1.00 0.00 N ATOM 973 CA GLU A 63 11.365 5.395 -0.275 1.00 0.00 C ATOM 974 C GLU A 63 10.316 5.870 -1.277 1.00 0.00 C ATOM 975 O GLU A 63 10.404 6.978 -1.805 1.00 0.00 O ATOM 976 CB GLU A 63 11.974 4.073 -0.746 1.00 0.00 C ATOM 977 CG GLU A 63 13.232 3.679 0.010 1.00 0.00 C ATOM 978 CD GLU A 63 14.070 2.663 -0.742 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.563 1.551 -0.998 1.00 0.00 O ATOM 980 OE2 GLU A 63 15.232 2.979 -1.072 1.00 0.00 O ATOM 0 H GLU A 63 10.806 4.287 1.416 1.00 0.00 H new ATOM 0 HA GLU A 63 12.151 6.148 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.232 3.282 -0.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.207 4.148 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.831 4.569 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.954 3.268 0.981 1.00 0.00 H new ATOM 987 N ALA A 64 9.325 5.023 -1.533 1.00 0.00 N ATOM 988 CA ALA A 64 8.258 5.355 -2.470 1.00 0.00 C ATOM 989 C ALA A 64 7.841 6.815 -2.330 1.00 0.00 C ATOM 990 O ALA A 64 7.798 7.554 -3.314 1.00 0.00 O ATOM 991 CB ALA A 64 7.062 4.439 -2.254 1.00 0.00 C ATOM 0 H ALA A 64 9.238 4.101 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 64 8.636 5.207 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.273 4.698 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.364 3.403 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.691 4.559 -1.236 1.00 0.00 H new ATOM 997 N TRP A 65 7.534 7.223 -1.105 1.00 0.00 N ATOM 998 CA TRP A 65 7.119 8.596 -0.838 1.00 0.00 C ATOM 999 C TRP A 65 8.302 9.552 -0.941 1.00 0.00 C ATOM 1000 O TRP A 65 8.138 10.726 -1.271 1.00 0.00 O ATOM 1001 CB TRP A 65 6.484 8.698 0.550 1.00 0.00 C ATOM 1002 CG TRP A 65 6.195 10.107 0.969 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.792 11.135 0.165 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.290 10.644 2.293 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.630 12.279 0.909 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.929 12.004 2.218 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.642 10.109 3.534 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.912 12.832 3.337 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.626 10.932 4.644 1.00 0.00 C ATOM 1010 CH2 TRP A 65 6.262 12.281 4.540 1.00 0.00 C ATOM 0 H TRP A 65 7.564 6.624 -0.280 1.00 0.00 H new ATOM 0 HA TRP A 65 6.381 8.879 -1.589 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.556 8.126 0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.150 8.239 1.281 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.625 11.060 -0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.335 13.185 0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.922 9.070 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.633 13.872 3.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.899 10.529 5.608 1.00 0.00 H new ATOM 0 HH2 TRP A 65 6.258 12.898 5.426 1.00 0.00 H new ATOM 1021 N LYS A 66 9.496 9.042 -0.655 1.00 0.00 N ATOM 1022 CA LYS A 66 10.708 9.850 -0.717 1.00 0.00 C ATOM 1023 C LYS A 66 10.993 10.294 -2.148 1.00 0.00 C ATOM 1024 O LYS A 66 11.254 11.470 -2.403 1.00 0.00 O ATOM 1025 CB LYS A 66 11.899 9.062 -0.169 1.00 0.00 C ATOM 1026 CG LYS A 66 13.241 9.717 -0.446 1.00 0.00 C ATOM 1027 CD LYS A 66 13.534 10.829 0.547 1.00 0.00 C ATOM 1028 CE LYS A 66 14.687 11.704 0.079 1.00 0.00 C ATOM 1029 NZ LYS A 66 15.947 10.926 -0.075 1.00 0.00 N ATOM 0 H LYS A 66 9.650 8.072 -0.378 1.00 0.00 H new ATOM 0 HA LYS A 66 10.555 10.738 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.779 8.940 0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.895 8.063 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.030 8.967 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.248 10.121 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.643 11.442 0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.775 10.397 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.428 12.168 -0.873 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.844 12.511 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 16.730 11.574 -0.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 16.154 10.422 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 15.838 10.238 -0.847 1.00 0.00 H new ATOM 1043 N ALA A 67 10.941 9.347 -3.078 1.00 0.00 N ATOM 1044 CA ALA A 67 11.191 9.642 -4.484 1.00 0.00 C ATOM 1045 C ALA A 67 10.348 10.822 -4.955 1.00 0.00 C ATOM 1046 O ALA A 67 10.688 11.490 -5.933 1.00 0.00 O ATOM 1047 CB ALA A 67 10.909 8.415 -5.339 1.00 0.00 C ATOM 0 H ALA A 67 10.728 8.369 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 67 12.241 9.913 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.100 8.650 -6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.558 7.597 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.867 8.119 -5.218 1.00 0.00 H new ATOM 1053 N LEU A 68 9.248 11.074 -4.255 1.00 0.00 N ATOM 1054 CA LEU A 68 8.355 12.175 -4.603 1.00 0.00 C ATOM 1055 C LEU A 68 8.714 13.435 -3.821 1.00 0.00 C ATOM 1056 O LEU A 68 7.861 14.039 -3.173 1.00 0.00 O ATOM 1057 CB LEU A 68 6.902 11.786 -4.326 1.00 0.00 C ATOM 1058 CG LEU A 68 6.459 10.424 -4.861 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.033 10.118 -4.427 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.578 10.381 -6.377 1.00 0.00 C ATOM 0 H LEU A 68 8.952 10.532 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 68 8.472 12.384 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.742 11.800 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.254 12.551 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 68 7.116 9.661 -4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.735 9.145 -4.817 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.979 10.105 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.362 10.885 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.258 9.404 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.946 11.155 -6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.615 10.554 -6.666 1.00 0.00 H new ATOM 1072 N GLY A 69 9.983 13.825 -3.888 1.00 0.00 N ATOM 1073 CA GLY A 69 10.432 15.012 -3.183 1.00 0.00 C ATOM 1074 C GLY A 69 10.008 16.292 -3.875 1.00 0.00 C ATOM 1075 O GLY A 69 9.649 17.271 -3.219 1.00 0.00 O ATOM 0 H GLY A 69 10.708 13.341 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.033 15.001 -2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.518 14.991 -3.098 1.00 0.00 H new ATOM 1079 N ASP A 70 10.050 16.287 -5.203 1.00 0.00 N ATOM 1080 CA ASP A 70 9.667 17.457 -5.984 1.00 0.00 C ATOM 1081 C ASP A 70 8.375 17.199 -6.752 1.00 0.00 C ATOM 1082 O ASP A 70 8.179 17.720 -7.850 1.00 0.00 O ATOM 1083 CB ASP A 70 10.786 17.836 -6.957 1.00 0.00 C ATOM 1084 CG ASP A 70 12.079 18.180 -6.245 1.00 0.00 C ATOM 1085 OD1 ASP A 70 12.641 17.291 -5.571 1.00 0.00 O ATOM 1086 OD2 ASP A 70 12.530 19.339 -6.363 1.00 0.00 O ATOM 0 H ASP A 70 10.345 15.486 -5.761 1.00 0.00 H new ATOM 0 HA ASP A 70 9.499 18.284 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.962 17.008 -7.644 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.468 18.688 -7.558 1.00 0.00 H new ATOM 1091 N SER A 71 7.497 16.391 -6.168 1.00 0.00 N ATOM 1092 CA SER A 71 6.225 16.059 -6.799 1.00 0.00 C ATOM 1093 C SER A 71 5.131 17.027 -6.358 1.00 0.00 C ATOM 1094 O SER A 71 5.384 17.964 -5.602 1.00 0.00 O ATOM 1095 CB SER A 71 5.820 14.624 -6.456 1.00 0.00 C ATOM 1096 OG SER A 71 6.513 13.691 -7.267 1.00 0.00 O ATOM 0 H SER A 71 7.643 15.954 -5.258 1.00 0.00 H new ATOM 0 HA SER A 71 6.350 16.146 -7.878 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.031 14.425 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.746 14.503 -6.594 1.00 0.00 H new ATOM 0 HG SER A 71 5.868 13.163 -7.783 1.00 0.00 H new ATOM 1102 N SER A 72 3.914 16.793 -6.838 1.00 0.00 N ATOM 1103 CA SER A 72 2.781 17.645 -6.498 1.00 0.00 C ATOM 1104 C SER A 72 1.604 16.812 -5.999 1.00 0.00 C ATOM 1105 O SER A 72 1.513 15.609 -6.246 1.00 0.00 O ATOM 1106 CB SER A 72 2.355 18.473 -7.712 1.00 0.00 C ATOM 1107 OG SER A 72 3.061 19.700 -7.765 1.00 0.00 O ATOM 0 H SER A 72 3.687 16.020 -7.464 1.00 0.00 H new ATOM 0 HA SER A 72 3.092 18.318 -5.699 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.536 17.906 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.284 18.668 -7.665 1.00 0.00 H new ATOM 0 HG SER A 72 2.772 20.210 -8.550 1.00 0.00 H new ATOM 1113 N PRO A 73 0.680 17.465 -5.279 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.508 16.805 -4.731 1.00 0.00 C ATOM 1115 C PRO A 73 -1.499 16.399 -5.816 1.00 0.00 C ATOM 1116 O PRO A 73 -1.944 15.252 -5.867 1.00 0.00 O ATOM 1117 CB PRO A 73 -1.120 17.874 -3.821 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.645 19.168 -4.386 1.00 0.00 C ATOM 1119 CD PRO A 73 0.724 18.899 -4.947 1.00 0.00 C ATOM 0 HA PRO A 73 -0.257 15.878 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.209 17.818 -3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.794 17.749 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.321 19.526 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.607 19.939 -3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.925 19.509 -5.827 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.506 19.120 -4.221 1.00 0.00 H new ATOM 1127 N SER A 74 -1.841 17.346 -6.684 1.00 0.00 N ATOM 1128 CA SER A 74 -2.782 17.088 -7.767 1.00 0.00 C ATOM 1129 C SER A 74 -2.228 16.043 -8.730 1.00 0.00 C ATOM 1130 O SER A 74 -2.979 15.264 -9.316 1.00 0.00 O ATOM 1131 CB SER A 74 -3.091 18.382 -8.522 1.00 0.00 C ATOM 1132 OG SER A 74 -3.061 19.500 -7.653 1.00 0.00 O ATOM 0 H SER A 74 -1.480 18.300 -6.658 1.00 0.00 H new ATOM 0 HA SER A 74 -3.703 16.702 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.365 18.521 -9.323 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.073 18.308 -8.990 1.00 0.00 H new ATOM 0 HG SER A 74 -3.260 20.314 -8.161 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.908 16.034 -8.888 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.253 15.085 -9.781 1.00 0.00 C ATOM 1140 C GLN A 75 -0.207 13.694 -9.158 1.00 0.00 C ATOM 1141 O GLN A 75 -0.027 12.696 -9.856 1.00 0.00 O ATOM 1142 CB GLN A 75 1.165 15.557 -10.108 1.00 0.00 C ATOM 1143 CG GLN A 75 1.208 16.874 -10.867 1.00 0.00 C ATOM 1144 CD GLN A 75 2.610 17.251 -11.302 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.586 16.970 -10.606 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.718 17.892 -12.460 1.00 0.00 N ATOM 0 H GLN A 75 -0.272 16.672 -8.410 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.833 15.031 -10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.727 15.664 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.667 14.790 -10.698 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.566 16.804 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.802 17.665 -10.237 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.882 18.105 -13.005 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.636 18.171 -12.804 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.371 13.635 -7.841 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.350 12.365 -7.124 1.00 0.00 C ATOM 1157 C ALA A 76 -1.745 11.754 -7.049 1.00 0.00 C ATOM 1158 O ALA A 76 -1.895 10.543 -6.894 1.00 0.00 O ATOM 1159 CB ALA A 76 0.220 12.557 -5.727 1.00 0.00 C ATOM 0 H ALA A 76 -0.520 14.452 -7.248 1.00 0.00 H new ATOM 0 HA ALA A 76 0.291 11.676 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.230 11.601 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.237 12.942 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.398 13.266 -5.176 1.00 0.00 H new ATOM 1165 N MET A 77 -2.764 12.601 -7.160 1.00 0.00 N ATOM 1166 CA MET A 77 -4.147 12.143 -7.105 1.00 0.00 C ATOM 1167 C MET A 77 -4.570 11.529 -8.436 1.00 0.00 C ATOM 1168 O MET A 77 -5.447 10.667 -8.480 1.00 0.00 O ATOM 1169 CB MET A 77 -5.077 13.303 -6.747 1.00 0.00 C ATOM 1170 CG MET A 77 -4.881 13.826 -5.333 1.00 0.00 C ATOM 1171 SD MET A 77 -5.978 15.203 -4.943 1.00 0.00 S ATOM 1172 CE MET A 77 -4.865 16.276 -4.038 1.00 0.00 C ATOM 0 H MET A 77 -2.657 13.607 -7.288 1.00 0.00 H new ATOM 0 HA MET A 77 -4.219 11.377 -6.333 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.916 14.118 -7.453 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.111 12.979 -6.865 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.054 13.017 -4.623 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.846 14.144 -5.208 1.00 0.00 H new ATOM 0 HE1 MET A 77 -4.922 17.286 -4.445 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.150 16.292 -2.986 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.845 15.904 -4.131 1.00 0.00 H new ATOM 1182 N GLN A 78 -3.941 11.979 -9.516 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.253 11.474 -10.848 1.00 0.00 C ATOM 1184 C GLN A 78 -3.937 9.986 -10.954 1.00 0.00 C ATOM 1185 O GLN A 78 -4.740 9.206 -11.466 1.00 0.00 O ATOM 1186 CB GLN A 78 -3.470 12.250 -11.908 1.00 0.00 C ATOM 1187 CG GLN A 78 -3.821 13.729 -11.962 1.00 0.00 C ATOM 1188 CD GLN A 78 -3.653 14.318 -13.349 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -2.535 14.466 -13.842 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -4.767 14.657 -13.987 1.00 0.00 N ATOM 0 H GLN A 78 -3.212 12.692 -9.495 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.320 11.614 -11.020 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.403 12.145 -11.709 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.658 11.805 -12.885 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.852 13.866 -11.636 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.189 14.274 -11.261 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.673 14.517 -13.540 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.717 15.058 -14.924 1.00 0.00 H new ATOM 1199 N GLU A 79 -2.762 9.599 -10.467 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.340 8.204 -10.508 1.00 0.00 C ATOM 1201 C GLU A 79 -3.012 7.399 -9.399 1.00 0.00 C ATOM 1202 O GLU A 79 -3.367 6.235 -9.590 1.00 0.00 O ATOM 1203 CB GLU A 79 -0.819 8.104 -10.376 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.063 8.871 -11.447 1.00 0.00 C ATOM 1205 CD GLU A 79 -0.470 8.467 -12.851 1.00 0.00 C ATOM 1206 OE1 GLU A 79 -0.769 7.273 -13.062 1.00 0.00 O ATOM 1207 OE2 GLU A 79 -0.490 9.346 -13.738 1.00 0.00 O ATOM 0 H GLU A 79 -2.086 10.232 -10.040 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.642 7.788 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.523 8.478 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.527 7.055 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.237 9.939 -11.315 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.007 8.705 -11.321 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.184 8.027 -8.241 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.810 7.370 -7.101 1.00 0.00 C ATOM 1216 C TYR A 80 -5.250 6.979 -7.420 1.00 0.00 C ATOM 1217 O TYR A 80 -5.789 6.031 -6.848 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.778 8.286 -5.876 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.501 7.718 -4.676 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.886 7.607 -4.663 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.799 7.293 -3.555 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.550 7.090 -3.568 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.455 6.773 -2.456 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.831 6.673 -2.467 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.488 6.157 -1.374 1.00 0.00 O ATOM 0 H TYR A 80 -2.898 8.991 -8.068 1.00 0.00 H new ATOM 0 HA TYR A 80 -3.246 6.463 -6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.740 8.481 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.225 9.245 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.453 7.930 -5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.722 7.370 -3.542 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.627 7.013 -3.574 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.894 6.447 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.172 6.604 -0.561 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.866 7.717 -8.337 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.243 7.448 -8.734 1.00 0.00 C ATOM 1237 C ILE A 81 -7.295 6.483 -9.914 1.00 0.00 C ATOM 1238 O ILE A 81 -7.766 5.353 -9.784 1.00 0.00 O ATOM 1239 CB ILE A 81 -7.983 8.744 -9.113 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.530 9.429 -7.859 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.108 8.445 -10.093 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.651 10.931 -7.995 1.00 0.00 C ATOM 0 H ILE A 81 -5.434 8.505 -8.819 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.737 6.995 -7.874 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.277 9.420 -9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.510 9.013 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.878 9.200 -7.016 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.621 9.371 -10.351 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.694 7.996 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.815 7.754 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -9.045 11.350 -7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.669 11.358 -8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.326 11.169 -8.817 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.808 6.936 -11.064 1.00 0.00 N ATOM 1255 CA ALA A 82 -6.796 6.112 -12.266 1.00 0.00 C ATOM 1256 C ALA A 82 -6.603 4.639 -11.920 1.00 0.00 C ATOM 1257 O ALA A 82 -7.421 3.793 -12.282 1.00 0.00 O ATOM 1258 CB ALA A 82 -5.704 6.580 -13.217 1.00 0.00 C ATOM 0 H ALA A 82 -6.416 7.870 -11.189 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.762 6.219 -12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.707 5.955 -14.110 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.887 7.617 -13.499 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.735 6.503 -12.724 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.514 4.339 -11.219 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.213 2.968 -10.823 1.00 0.00 C ATOM 1266 C VAL A 83 -6.458 2.262 -10.297 1.00 0.00 C ATOM 1267 O VAL A 83 -6.859 1.219 -10.814 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.116 2.923 -9.744 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.432 3.898 -8.620 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -3.956 1.509 -9.206 1.00 0.00 C ATOM 0 H VAL A 83 -4.826 5.027 -10.914 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.856 2.452 -11.714 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.172 3.223 -10.198 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.646 3.852 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.491 4.910 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.386 3.632 -8.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.176 1.496 -8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.897 1.178 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.679 0.839 -10.020 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.067 2.839 -9.265 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.267 2.266 -8.669 1.00 0.00 C ATOM 1282 C VAL A 84 -9.313 1.950 -9.733 1.00 0.00 C ATOM 1283 O VAL A 84 -10.171 1.089 -9.539 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.884 3.217 -7.626 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.794 3.966 -6.875 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.847 4.188 -8.293 1.00 0.00 C ATOM 0 H VAL A 84 -6.748 3.702 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.965 1.342 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.445 2.622 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.249 4.633 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.148 3.252 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.202 4.551 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.273 4.852 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.312 4.778 -9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.647 3.630 -8.780 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.234 2.652 -10.858 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.171 2.446 -11.956 1.00 0.00 C ATOM 1298 C LYS A 85 -9.840 1.170 -12.722 1.00 0.00 C ATOM 1299 O LYS A 85 -10.733 0.476 -13.209 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.147 3.645 -12.906 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.222 4.986 -12.197 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.134 6.142 -13.178 1.00 0.00 C ATOM 1303 CE LYS A 85 -11.451 6.357 -13.907 1.00 0.00 C ATOM 1304 NZ LYS A 85 -12.402 7.176 -13.106 1.00 0.00 N ATOM 0 H LYS A 85 -8.530 3.369 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.171 2.345 -11.533 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.234 3.609 -13.500 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.983 3.564 -13.601 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.156 5.052 -11.639 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.412 5.061 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.859 7.052 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.344 5.946 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -11.262 6.850 -14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.904 5.391 -14.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.287 7.300 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.603 6.694 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -11.981 8.107 -12.913 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.551 0.864 -12.825 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.101 -0.331 -13.529 1.00 0.00 C ATOM 1320 C LYS A 86 -8.480 -1.592 -12.759 1.00 0.00 C ATOM 1321 O LYS A 86 -8.746 -2.637 -13.353 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.586 -0.284 -13.738 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.145 0.746 -14.764 1.00 0.00 C ATOM 1324 CD LYS A 86 -5.756 2.059 -14.104 1.00 0.00 C ATOM 1325 CE LYS A 86 -6.074 3.248 -14.997 1.00 0.00 C ATOM 1326 NZ LYS A 86 -4.972 3.530 -15.958 1.00 0.00 N ATOM 0 H LYS A 86 -7.799 1.428 -12.429 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.595 -0.358 -14.500 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.103 -0.066 -12.786 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.240 -1.269 -14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.299 0.358 -15.330 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.952 0.920 -15.476 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.286 2.162 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.691 2.050 -13.874 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.995 3.053 -15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.252 4.129 -14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.227 4.347 -16.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.099 3.741 -15.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.819 2.699 -16.564 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.503 -1.486 -11.435 1.00 0.00 N ATOM 1341 CA LEU A 87 -8.852 -2.618 -10.583 1.00 0.00 C ATOM 1342 C LEU A 87 -10.356 -2.869 -10.599 1.00 0.00 C ATOM 1343 O LEU A 87 -10.804 -4.016 -10.596 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.380 -2.367 -9.150 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.021 -1.681 -9.000 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -6.844 -1.151 -7.586 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -5.897 -2.643 -9.357 1.00 0.00 C ATOM 0 H LEU A 87 -8.284 -0.628 -10.928 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.351 -3.504 -10.974 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.129 -1.759 -8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.341 -3.324 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.982 -0.837 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.872 -0.666 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.631 -0.429 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.903 -1.977 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.937 -2.139 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.933 -3.507 -8.693 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.015 -2.973 -10.389 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.130 -1.790 -10.618 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.585 -1.893 -10.638 1.00 0.00 C ATOM 1361 C ASP A 88 -13.182 -0.945 -11.674 1.00 0.00 C ATOM 1362 O ASP A 88 -13.440 0.228 -11.402 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.158 -1.584 -9.254 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.674 -1.573 -9.245 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.275 -2.654 -9.070 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.261 -0.484 -9.413 1.00 0.00 O ATOM 0 H ASP A 88 -10.775 -0.834 -10.620 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.850 -2.914 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.799 -2.326 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.788 -0.615 -8.919 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.408 -1.463 -12.890 1.00 0.00 N ATOM 1372 CA PRO A 89 -13.977 -0.680 -13.991 1.00 0.00 C ATOM 1373 C PRO A 89 -15.444 -0.334 -13.758 1.00 0.00 C ATOM 1374 O PRO A 89 -16.081 0.307 -14.594 1.00 0.00 O ATOM 1375 CB PRO A 89 -13.831 -1.608 -15.199 1.00 0.00 C ATOM 1376 CG PRO A 89 -13.803 -2.981 -14.621 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.125 -2.853 -13.284 1.00 0.00 C ATOM 0 HA PRO A 89 -13.475 0.280 -14.111 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -14.663 -1.488 -15.893 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -12.918 -1.394 -15.755 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -14.812 -3.379 -14.511 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.259 -3.667 -15.270 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.524 -3.565 -12.561 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.054 -3.040 -13.357 1.00 0.00 H new ATOM 1385 N GLY A 90 -15.975 -0.763 -12.617 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.363 -0.488 -12.296 1.00 0.00 C ATOM 1387 C GLY A 90 -17.511 0.559 -11.209 1.00 0.00 C ATOM 1388 O GLY A 90 -18.343 0.419 -10.313 1.00 0.00 O ATOM 0 H GLY A 90 -15.469 -1.296 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -17.880 -0.150 -13.194 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -17.848 -1.410 -11.976 1.00 0.00 H new ATOM 1392 N TRP A 91 -16.701 1.608 -11.288 1.00 0.00 N ATOM 1393 CA TRP A 91 -16.744 2.682 -10.302 1.00 0.00 C ATOM 1394 C TRP A 91 -17.177 3.995 -10.945 1.00 0.00 C ATOM 1395 O TRP A 91 -16.708 4.351 -12.025 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.375 2.851 -9.640 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.249 4.118 -8.850 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.144 4.611 -7.944 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.167 5.054 -8.899 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.682 5.797 -7.425 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.471 6.090 -7.994 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -12.969 5.117 -9.616 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.622 7.174 -7.792 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.127 6.193 -9.414 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.456 7.210 -8.508 1.00 0.00 C ATOM 0 H TRP A 91 -16.007 1.738 -12.024 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.477 2.413 -9.541 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.190 2.002 -8.982 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.603 2.833 -10.409 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.077 4.139 -7.675 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.163 6.367 -6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -12.706 4.338 -10.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.874 7.959 -7.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.199 6.252 -9.964 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.776 8.038 -8.372 1.00 0.00 H new ATOM 1416 N ASN A 92 -18.074 4.710 -10.275 1.00 0.00 N ATOM 1417 CA ASN A 92 -18.570 5.984 -10.783 1.00 0.00 C ATOM 1418 C ASN A 92 -18.730 6.995 -9.651 1.00 0.00 C ATOM 1419 O ASN A 92 -19.484 6.786 -8.701 1.00 0.00 O ATOM 1420 CB ASN A 92 -19.908 5.786 -11.498 1.00 0.00 C ATOM 1421 CG ASN A 92 -20.123 6.791 -12.612 1.00 0.00 C ATOM 1422 OD1 ASN A 92 -19.199 7.112 -13.360 1.00 0.00 O ATOM 1423 ND2 ASN A 92 -21.346 7.294 -12.728 1.00 0.00 N ATOM 0 H ASN A 92 -18.473 4.429 -9.379 1.00 0.00 H new ATOM 0 HA ASN A 92 -17.840 6.373 -11.494 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -19.951 4.777 -11.909 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -20.719 5.870 -10.775 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.550 7.975 -13.459 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.082 6.999 -12.086 1.00 0.00 H new ATOM 1430 N PRO A 93 -18.005 8.119 -9.756 1.00 0.00 N ATOM 1431 CA PRO A 93 -18.050 9.186 -8.751 1.00 0.00 C ATOM 1432 C PRO A 93 -19.382 9.928 -8.754 1.00 0.00 C ATOM 1433 O PRO A 93 -19.743 10.577 -7.772 1.00 0.00 O ATOM 1434 CB PRO A 93 -16.916 10.122 -9.177 1.00 0.00 C ATOM 1435 CG PRO A 93 -16.758 9.885 -10.639 1.00 0.00 C ATOM 1436 CD PRO A 93 -17.086 8.435 -10.862 1.00 0.00 C ATOM 0 HA PRO A 93 -17.943 8.797 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.163 11.163 -8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -15.995 9.899 -8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -17.425 10.529 -11.213 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -15.742 10.109 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.555 8.274 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -16.192 7.812 -10.832 1.00 0.00 H new ATOM 1444 N GLN A 94 -20.108 9.828 -9.863 1.00 0.00 N ATOM 1445 CA GLN A 94 -21.401 10.492 -9.991 1.00 0.00 C ATOM 1446 C GLN A 94 -22.542 9.514 -9.733 1.00 0.00 C ATOM 1447 O GLN A 94 -23.138 8.979 -10.669 1.00 0.00 O ATOM 1448 CB GLN A 94 -21.545 11.107 -11.384 1.00 0.00 C ATOM 1449 CG GLN A 94 -22.629 12.169 -11.471 1.00 0.00 C ATOM 1450 CD GLN A 94 -22.841 12.673 -12.885 1.00 0.00 C ATOM 1451 OE1 GLN A 94 -22.428 12.034 -13.852 1.00 0.00 O ATOM 1452 NE2 GLN A 94 -23.489 13.825 -13.012 1.00 0.00 N ATOM 0 H GLN A 94 -19.824 9.295 -10.685 1.00 0.00 H new ATOM 0 HA GLN A 94 -21.451 11.285 -9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -20.592 11.547 -11.678 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -21.765 10.316 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -23.565 11.759 -11.091 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -22.364 13.007 -10.827 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -23.814 14.322 -12.182 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -23.662 14.213 -13.939 1.00 0.00 H new ATOM 1461 N ILE A 95 -22.842 9.284 -8.459 1.00 0.00 N ATOM 1462 CA ILE A 95 -23.912 8.371 -8.079 1.00 0.00 C ATOM 1463 C ILE A 95 -25.100 9.129 -7.496 1.00 0.00 C ATOM 1464 O ILE A 95 -24.958 9.957 -6.595 1.00 0.00 O ATOM 1465 CB ILE A 95 -23.427 7.331 -7.053 1.00 0.00 C ATOM 1466 CG1 ILE A 95 -22.407 6.388 -7.693 1.00 0.00 C ATOM 1467 CG2 ILE A 95 -24.606 6.546 -6.497 1.00 0.00 C ATOM 1468 CD1 ILE A 95 -23.008 5.452 -8.717 1.00 0.00 C ATOM 0 H ILE A 95 -22.359 9.718 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 95 -24.224 7.855 -8.987 1.00 0.00 H new ATOM 0 HB ILE A 95 -22.942 7.854 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -21.625 6.980 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -21.929 5.799 -6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -24.247 5.815 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -25.300 7.230 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -25.116 6.031 -7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -22.227 4.813 -9.129 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -23.770 4.834 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -23.462 6.034 -9.520 1.00 0.00 H new ATOM 1480 N PRO A 96 -26.301 8.840 -8.018 1.00 0.00 N ATOM 1481 CA PRO A 96 -27.538 9.482 -7.562 1.00 0.00 C ATOM 1482 C PRO A 96 -27.934 9.044 -6.157 1.00 0.00 C ATOM 1483 O PRO A 96 -28.371 9.857 -5.344 1.00 0.00 O ATOM 1484 CB PRO A 96 -28.578 9.012 -8.582 1.00 0.00 C ATOM 1485 CG PRO A 96 -28.041 7.724 -9.105 1.00 0.00 C ATOM 1486 CD PRO A 96 -26.544 7.864 -9.093 1.00 0.00 C ATOM 0 HA PRO A 96 -27.438 10.566 -7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -29.554 8.874 -8.117 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -28.706 9.741 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -28.360 6.887 -8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -28.407 7.529 -10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -26.053 6.912 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -26.166 8.220 -10.052 1.00 0.00 H new ATOM 1494 N GLU A 97 -27.779 7.753 -5.878 1.00 0.00 N ATOM 1495 CA GLU A 97 -28.122 7.208 -4.570 1.00 0.00 C ATOM 1496 C GLU A 97 -27.540 8.068 -3.452 1.00 0.00 C ATOM 1497 O GLU A 97 -26.635 8.872 -3.679 1.00 0.00 O ATOM 1498 CB GLU A 97 -27.611 5.771 -4.441 1.00 0.00 C ATOM 1499 CG GLU A 97 -28.390 4.935 -3.440 1.00 0.00 C ATOM 1500 CD GLU A 97 -28.118 3.450 -3.583 1.00 0.00 C ATOM 1501 OE1 GLU A 97 -28.662 2.834 -4.523 1.00 0.00 O ATOM 1502 OE2 GLU A 97 -27.360 2.904 -2.754 1.00 0.00 O ATOM 0 H GLU A 97 -27.418 7.066 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 97 -29.208 7.210 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -27.657 5.289 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -26.562 5.793 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -28.133 5.252 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -29.456 5.119 -3.570 1.00 0.00 H new ATOM 1509 N LYS A 98 -28.066 7.894 -2.245 1.00 0.00 N ATOM 1510 CA LYS A 98 -27.600 8.653 -1.090 1.00 0.00 C ATOM 1511 C LYS A 98 -26.511 7.891 -0.342 1.00 0.00 C ATOM 1512 O LYS A 98 -26.752 6.809 0.195 1.00 0.00 O ATOM 1513 CB LYS A 98 -28.766 8.954 -0.147 1.00 0.00 C ATOM 1514 CG LYS A 98 -28.442 9.996 0.910 1.00 0.00 C ATOM 1515 CD LYS A 98 -29.703 10.588 1.515 1.00 0.00 C ATOM 1516 CE LYS A 98 -30.224 11.753 0.689 1.00 0.00 C ATOM 1517 NZ LYS A 98 -29.307 12.925 0.743 1.00 0.00 N ATOM 0 H LYS A 98 -28.816 7.234 -2.040 1.00 0.00 H new ATOM 0 HA LYS A 98 -27.180 9.592 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -29.618 9.297 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -29.071 8.031 0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -27.839 9.542 1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -27.842 10.791 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -30.471 9.818 1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -29.497 10.925 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -30.349 11.437 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -31.209 12.045 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -29.837 13.791 0.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -28.900 13.004 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -28.542 12.800 0.050 1.00 0.00 H new ATOM 1531 N LYS A 99 -25.311 8.461 -0.309 1.00 0.00 N ATOM 1532 CA LYS A 99 -24.185 7.838 0.376 1.00 0.00 C ATOM 1533 C LYS A 99 -23.320 8.887 1.067 1.00 0.00 C ATOM 1534 O LYS A 99 -23.333 10.059 0.695 1.00 0.00 O ATOM 1535 CB LYS A 99 -23.339 7.037 -0.616 1.00 0.00 C ATOM 1536 CG LYS A 99 -23.911 5.667 -0.936 1.00 0.00 C ATOM 1537 CD LYS A 99 -23.768 4.714 0.238 1.00 0.00 C ATOM 1538 CE LYS A 99 -22.373 4.110 0.299 1.00 0.00 C ATOM 1539 NZ LYS A 99 -22.241 3.130 1.413 1.00 0.00 N ATOM 0 H LYS A 99 -25.093 9.355 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 99 -24.582 7.163 1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -23.242 7.606 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -22.335 6.916 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -24.964 5.764 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -23.401 5.253 -1.806 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -23.977 5.245 1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -24.507 3.917 0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -22.149 3.617 -0.647 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -21.638 4.905 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -21.276 2.741 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -22.430 3.606 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -22.925 2.358 1.279 1.00 0.00 H new ATOM 1553 N GLY A 100 -22.568 8.456 2.075 1.00 0.00 N ATOM 1554 CA GLY A 100 -21.706 9.371 2.801 1.00 0.00 C ATOM 1555 C GLY A 100 -22.132 9.546 4.246 1.00 0.00 C ATOM 1556 O GLY A 100 -23.306 9.384 4.579 1.00 0.00 O ATOM 0 H GLY A 100 -22.540 7.490 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -20.681 9.002 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -21.710 10.341 2.304 1.00 0.00 H new ATOM 1560 N LYS A 101 -21.176 9.876 5.107 1.00 0.00 N ATOM 1561 CA LYS A 101 -21.456 10.073 6.524 1.00 0.00 C ATOM 1562 C LYS A 101 -22.342 11.296 6.739 1.00 0.00 C ATOM 1563 O LYS A 101 -23.128 11.345 7.684 1.00 0.00 O ATOM 1564 CB LYS A 101 -20.150 10.232 7.306 1.00 0.00 C ATOM 1565 CG LYS A 101 -19.447 11.555 7.053 1.00 0.00 C ATOM 1566 CD LYS A 101 -19.909 12.627 8.025 1.00 0.00 C ATOM 1567 CE LYS A 101 -19.146 12.554 9.339 1.00 0.00 C ATOM 1568 NZ LYS A 101 -17.709 12.907 9.166 1.00 0.00 N ATOM 0 H LYS A 101 -20.199 10.013 4.848 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.986 9.194 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -20.361 10.140 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -19.477 9.416 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -18.369 11.419 7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -19.641 11.881 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -19.770 13.611 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -20.976 12.511 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -19.602 13.231 10.062 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -19.226 11.548 9.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.318 13.225 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.184 12.072 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.621 13.671 8.466 1.00 0.00 H new ATOM 1582 N GLU A 102 -22.210 12.280 5.854 1.00 0.00 N ATOM 1583 CA GLU A 102 -23.000 13.502 5.948 1.00 0.00 C ATOM 1584 C GLU A 102 -23.663 13.825 4.612 1.00 0.00 C ATOM 1585 O GLU A 102 -23.081 13.608 3.550 1.00 0.00 O ATOM 1586 CB GLU A 102 -22.119 14.672 6.390 1.00 0.00 C ATOM 1587 CG GLU A 102 -21.100 15.095 5.345 1.00 0.00 C ATOM 1588 CD GLU A 102 -20.480 16.445 5.647 1.00 0.00 C ATOM 1589 OE1 GLU A 102 -19.899 16.599 6.742 1.00 0.00 O ATOM 1590 OE2 GLU A 102 -20.576 17.348 4.790 1.00 0.00 O ATOM 0 H GLU A 102 -21.564 12.254 5.065 1.00 0.00 H new ATOM 0 HA GLU A 102 -23.781 13.344 6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -22.755 15.524 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -21.595 14.396 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -20.313 14.343 5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -21.581 15.131 4.368 1.00 0.00 H new ATOM 1597 N ALA A 103 -24.884 14.345 4.675 1.00 0.00 N ATOM 1598 CA ALA A 103 -25.626 14.699 3.472 1.00 0.00 C ATOM 1599 C ALA A 103 -24.964 15.863 2.742 1.00 0.00 C ATOM 1600 O ALA A 103 -24.517 15.721 1.604 1.00 0.00 O ATOM 1601 CB ALA A 103 -27.066 15.044 3.822 1.00 0.00 C ATOM 0 H ALA A 103 -25.380 14.530 5.547 1.00 0.00 H new ATOM 0 HA ALA A 103 -25.622 13.836 2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -27.608 15.306 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -27.542 14.184 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -27.081 15.889 4.510 1.00 0.00 H new ATOM 1607 N SER A 104 -24.906 17.015 3.404 1.00 0.00 N ATOM 1608 CA SER A 104 -24.303 18.205 2.816 1.00 0.00 C ATOM 1609 C SER A 104 -23.387 18.901 3.818 1.00 0.00 C ATOM 1610 O SER A 104 -23.449 18.641 5.018 1.00 0.00 O ATOM 1611 CB SER A 104 -25.389 19.173 2.343 1.00 0.00 C ATOM 1612 OG SER A 104 -26.015 19.813 3.441 1.00 0.00 O ATOM 0 H SER A 104 -25.269 17.149 4.348 1.00 0.00 H new ATOM 0 HA SER A 104 -23.706 17.894 1.959 1.00 0.00 H new ATOM 0 HB2 SER A 104 -24.951 19.922 1.683 1.00 0.00 H new ATOM 0 HB3 SER A 104 -26.134 18.632 1.760 1.00 0.00 H new ATOM 0 HG SER A 104 -26.704 20.428 3.112 1.00 0.00 H new ATOM 1618 N GLY A 105 -22.535 19.789 3.314 1.00 0.00 N ATOM 1619 CA GLY A 105 -21.617 20.509 4.177 1.00 0.00 C ATOM 1620 C GLY A 105 -22.280 21.674 4.885 1.00 0.00 C ATOM 1621 O GLY A 105 -23.000 22.468 4.279 1.00 0.00 O ATOM 0 H GLY A 105 -22.464 20.022 2.324 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -21.207 19.823 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -20.779 20.877 3.585 1.00 0.00 H new ATOM 1625 N PRO A 106 -22.041 21.786 6.200 1.00 0.00 N ATOM 1626 CA PRO A 106 -22.612 22.858 7.020 1.00 0.00 C ATOM 1627 C PRO A 106 -22.010 24.220 6.695 1.00 0.00 C ATOM 1628 O PRO A 106 -22.614 25.258 6.966 1.00 0.00 O ATOM 1629 CB PRO A 106 -22.252 22.442 8.449 1.00 0.00 C ATOM 1630 CG PRO A 106 -21.039 21.590 8.301 1.00 0.00 C ATOM 1631 CD PRO A 106 -21.192 20.875 6.987 1.00 0.00 C ATOM 0 HA PRO A 106 -23.683 22.973 6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -22.051 23.311 9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -23.067 21.892 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -20.133 22.196 8.312 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -20.958 20.880 9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -20.228 20.708 6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -21.659 19.898 7.113 1.00 0.00 H new ATOM 1639 N SER A 107 -20.816 24.211 6.111 1.00 0.00 N ATOM 1640 CA SER A 107 -20.131 25.446 5.751 1.00 0.00 C ATOM 1641 C SER A 107 -21.129 26.514 5.313 1.00 0.00 C ATOM 1642 O SER A 107 -21.132 27.628 5.836 1.00 0.00 O ATOM 1643 CB SER A 107 -19.121 25.187 4.631 1.00 0.00 C ATOM 1644 OG SER A 107 -18.040 26.101 4.698 1.00 0.00 O ATOM 0 H SER A 107 -20.303 23.361 5.877 1.00 0.00 H new ATOM 0 HA SER A 107 -19.601 25.808 6.632 1.00 0.00 H new ATOM 0 HB2 SER A 107 -18.744 24.167 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 107 -19.616 25.274 3.664 1.00 0.00 H new ATOM 0 HG SER A 107 -17.408 25.914 3.973 1.00 0.00 H new ATOM 1650 N SER A 108 -21.976 26.164 4.351 1.00 0.00 N ATOM 1651 CA SER A 108 -22.978 27.092 3.839 1.00 0.00 C ATOM 1652 C SER A 108 -24.012 27.421 4.912 1.00 0.00 C ATOM 1653 O SER A 108 -24.342 26.583 5.750 1.00 0.00 O ATOM 1654 CB SER A 108 -23.672 26.500 2.611 1.00 0.00 C ATOM 1655 OG SER A 108 -24.427 27.486 1.928 1.00 0.00 O ATOM 0 H SER A 108 -21.989 25.244 3.910 1.00 0.00 H new ATOM 0 HA SER A 108 -22.471 28.013 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 108 -22.927 26.076 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 108 -24.326 25.684 2.917 1.00 0.00 H new ATOM 0 HG SER A 108 -24.859 27.083 1.146 1.00 0.00 H new ATOM 1661 N GLY A 109 -24.520 28.649 4.879 1.00 0.00 N ATOM 1662 CA GLY A 109 -25.511 29.069 5.853 1.00 0.00 C ATOM 1663 C GLY A 109 -26.882 28.486 5.573 1.00 0.00 C ATOM 1664 O GLY A 109 -27.038 27.649 4.684 1.00 0.00 O ATOM 0 H GLY A 109 -24.263 29.361 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -25.188 28.767 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.576 30.157 5.855 1.00 0.00 H new TER 1668 GLY A 109