USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : no HE2:sc= -3.99 X(o=-4.3,f=-3.9) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.315 X(o=-4.3,f=-4.6) USER MOD Set 2.1: A 47 CYS SG : rot 180:sc= -0.548 USER MOD Set 2.2: A 49 THR OG1 : rot 160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= -0.283 (180deg=-1.42!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0648 K(o=-0.065,f=-0.84) USER MOD Single : A 28 TYR OH : rot 165:sc= -0.9 USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= -0.326 (180deg=-1.4!) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 48 GLN : amide:sc= -0.604 K(o=-0.6,f=-0.096) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3!) USER MOD Single : A 74 THR OG1 : rot -73:sc= 0.281 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00314 USER MOD Single : A 102 TYR OH : rot 129:sc= 1.23 USER MOD Single : A 105 TYR OH : rot 30:sc= -2.07 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 127 GLN : amide:sc= -2.66! C(o=-2.7!,f=-4.6!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot -38:sc= 0.998 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.335 -5.674 7.915 1.00 0.00 N ATOM 2 CA MET A 1 11.389 -4.621 8.244 1.00 0.00 C ATOM 3 C MET A 1 10.284 -4.527 7.190 1.00 0.00 C ATOM 4 O MET A 1 9.152 -4.943 7.433 1.00 0.00 O ATOM 5 CB MET A 1 12.124 -3.283 8.334 1.00 0.00 C ATOM 6 CG MET A 1 11.883 -2.615 9.690 1.00 0.00 C ATOM 7 SD MET A 1 11.850 -0.840 9.498 1.00 0.00 S ATOM 8 CE MET A 1 13.170 -0.384 10.610 1.00 0.00 C ATOM 0 H1 MET A 1 13.074 -5.717 8.645 1.00 0.00 H new ATOM 0 H2 MET A 1 11.838 -6.586 7.872 1.00 0.00 H new ATOM 0 H3 MET A 1 12.771 -5.473 6.992 1.00 0.00 H new ATOM 0 HA MET A 1 10.930 -4.858 9.204 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.193 -3.440 8.187 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.786 -2.624 7.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.940 -2.961 10.113 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.669 -2.899 10.390 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.286 0.700 10.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.931 -0.725 11.617 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.100 -0.848 10.281 1.00 0.00 H new ATOM 18 N VAL A 2 10.652 -3.978 6.041 1.00 0.00 N ATOM 19 CA VAL A 2 9.706 -3.824 4.949 1.00 0.00 C ATOM 20 C VAL A 2 10.347 -4.322 3.652 1.00 0.00 C ATOM 21 O VAL A 2 11.565 -4.474 3.575 1.00 0.00 O ATOM 22 CB VAL A 2 9.237 -2.371 4.865 1.00 0.00 C ATOM 23 CG1 VAL A 2 8.801 -1.855 6.238 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.323 -1.478 4.262 1.00 0.00 C ATOM 0 H VAL A 2 11.592 -3.635 5.843 1.00 0.00 H new ATOM 0 HA VAL A 2 8.816 -4.429 5.125 1.00 0.00 H new ATOM 0 HB VAL A 2 8.371 -2.336 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.472 -0.820 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.980 -2.466 6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.640 -1.911 6.931 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.964 -0.450 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.217 -1.521 4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.564 -1.826 3.257 1.00 0.00 H new ATOM 34 N PRO A 3 9.475 -4.568 2.638 1.00 0.00 N ATOM 35 CA PRO A 3 9.942 -5.046 1.348 1.00 0.00 C ATOM 36 C PRO A 3 10.603 -3.918 0.552 1.00 0.00 C ATOM 37 O PRO A 3 10.612 -2.768 0.989 1.00 0.00 O ATOM 38 CB PRO A 3 8.707 -5.609 0.665 1.00 0.00 C ATOM 39 CG PRO A 3 7.516 -5.011 1.397 1.00 0.00 C ATOM 40 CD PRO A 3 8.025 -4.399 2.692 1.00 0.00 C ATOM 0 HA PRO A 3 10.714 -5.810 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.690 -5.343 -0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 3 8.693 -6.698 0.720 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.031 -4.254 0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.771 -5.779 1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.752 -3.346 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.600 -4.901 3.561 1.00 0.00 H new ATOM 48 N PRO A 4 11.153 -4.296 -0.632 1.00 0.00 N ATOM 49 CA PRO A 4 11.814 -3.329 -1.493 1.00 0.00 C ATOM 50 C PRO A 4 10.792 -2.445 -2.211 1.00 0.00 C ATOM 51 O PRO A 4 10.834 -1.222 -2.094 1.00 0.00 O ATOM 52 CB PRO A 4 12.654 -4.162 -2.448 1.00 0.00 C ATOM 53 CG PRO A 4 12.077 -5.568 -2.392 1.00 0.00 C ATOM 54 CD PRO A 4 11.162 -5.648 -1.182 1.00 0.00 C ATOM 0 HA PRO A 4 12.440 -2.631 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.608 -3.761 -3.460 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.703 -4.158 -2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.524 -5.790 -3.304 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.876 -6.306 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.159 -5.967 -1.465 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.532 -6.369 -0.453 1.00 0.00 H new ATOM 62 N LYS A 5 9.899 -3.100 -2.938 1.00 0.00 N ATOM 63 CA LYS A 5 8.868 -2.389 -3.674 1.00 0.00 C ATOM 64 C LYS A 5 8.416 -1.172 -2.865 1.00 0.00 C ATOM 65 O LYS A 5 8.106 -0.125 -3.431 1.00 0.00 O ATOM 66 CB LYS A 5 7.727 -3.336 -4.049 1.00 0.00 C ATOM 67 CG LYS A 5 8.002 -4.024 -5.388 1.00 0.00 C ATOM 68 CD LYS A 5 7.239 -3.340 -6.524 1.00 0.00 C ATOM 69 CE LYS A 5 5.757 -3.718 -6.494 1.00 0.00 C ATOM 70 NZ LYS A 5 4.969 -2.796 -7.342 1.00 0.00 N ATOM 0 H LYS A 5 9.868 -4.115 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 5 9.264 -2.015 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.602 -4.087 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.792 -2.779 -4.108 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.071 -4.002 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.710 -5.072 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.344 -2.258 -6.438 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.672 -3.627 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.630 -4.742 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.388 -3.684 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.965 -3.067 -7.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.076 -1.823 -6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.311 -2.849 -8.323 1.00 0.00 H new ATOM 84 N LEU A 6 8.392 -1.350 -1.552 1.00 0.00 N ATOM 85 CA LEU A 6 7.983 -0.280 -0.659 1.00 0.00 C ATOM 86 C LEU A 6 9.190 0.606 -0.345 1.00 0.00 C ATOM 87 O LEU A 6 9.223 1.775 -0.727 1.00 0.00 O ATOM 88 CB LEU A 6 7.300 -0.852 0.585 1.00 0.00 C ATOM 89 CG LEU A 6 6.275 0.058 1.266 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.408 -0.009 2.788 1.00 0.00 C ATOM 91 CD2 LEU A 6 6.383 1.492 0.744 1.00 0.00 C ATOM 0 H LEU A 6 8.649 -2.220 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 6 7.238 0.354 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.803 -1.782 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.070 -1.107 1.313 1.00 0.00 H new ATOM 0 HG LEU A 6 5.278 -0.302 1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.668 0.647 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.243 -1.033 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.408 0.311 3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.644 2.118 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.382 1.878 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.200 1.503 -0.331 1.00 0.00 H new ATOM 103 N LYS A 7 10.153 0.016 0.348 1.00 0.00 N ATOM 104 CA LYS A 7 11.359 0.737 0.718 1.00 0.00 C ATOM 105 C LYS A 7 11.804 1.613 -0.455 1.00 0.00 C ATOM 106 O LYS A 7 12.385 2.678 -0.253 1.00 0.00 O ATOM 107 CB LYS A 7 12.437 -0.235 1.203 1.00 0.00 C ATOM 108 CG LYS A 7 13.364 0.437 2.218 1.00 0.00 C ATOM 109 CD LYS A 7 12.801 0.318 3.636 1.00 0.00 C ATOM 110 CE LYS A 7 13.230 1.508 4.497 1.00 0.00 C ATOM 111 NZ LYS A 7 13.862 1.039 5.751 1.00 0.00 N ATOM 0 H LYS A 7 10.122 -0.954 0.663 1.00 0.00 H new ATOM 0 HA LYS A 7 11.162 1.403 1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.967 -1.108 1.656 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.019 -0.591 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.351 -0.023 2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.491 1.488 1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.713 0.267 3.596 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.147 -0.609 4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.930 2.133 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.364 2.128 4.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.147 1.859 6.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.183 0.462 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.700 0.467 5.524 1.00 0.00 H new ATOM 125 N GLN A 8 11.514 1.131 -1.655 1.00 0.00 N ATOM 126 CA GLN A 8 11.877 1.858 -2.860 1.00 0.00 C ATOM 127 C GLN A 8 10.951 3.060 -3.054 1.00 0.00 C ATOM 128 O GLN A 8 11.411 4.200 -3.104 1.00 0.00 O ATOM 129 CB GLN A 8 11.848 0.939 -4.083 1.00 0.00 C ATOM 130 CG GLN A 8 13.191 0.958 -4.816 1.00 0.00 C ATOM 131 CD GLN A 8 13.050 1.589 -6.202 1.00 0.00 C ATOM 132 OE1 GLN A 8 11.982 1.627 -6.790 1.00 0.00 O ATOM 133 NE2 GLN A 8 14.186 2.080 -6.691 1.00 0.00 N ATOM 0 H GLN A 8 11.032 0.247 -1.819 1.00 0.00 H new ATOM 0 HA GLN A 8 12.897 2.226 -2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.614 -0.079 -3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.055 1.255 -4.761 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.921 1.517 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.571 -0.059 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.046 2.015 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.197 2.521 -7.611 1.00 0.00 H new ATOM 142 N ALA A 9 9.664 2.764 -3.159 1.00 0.00 N ATOM 143 CA ALA A 9 8.670 3.807 -3.347 1.00 0.00 C ATOM 144 C ALA A 9 8.938 4.945 -2.360 1.00 0.00 C ATOM 145 O ALA A 9 8.717 6.112 -2.678 1.00 0.00 O ATOM 146 CB ALA A 9 7.269 3.212 -3.185 1.00 0.00 C ATOM 0 H ALA A 9 9.287 1.817 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 9 8.734 4.222 -4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.523 3.994 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.118 2.429 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.167 2.789 -2.186 1.00 0.00 H new ATOM 152 N LEU A 10 9.410 4.565 -1.182 1.00 0.00 N ATOM 153 CA LEU A 10 9.710 5.539 -0.146 1.00 0.00 C ATOM 154 C LEU A 10 11.005 6.273 -0.502 1.00 0.00 C ATOM 155 O LEU A 10 11.014 7.496 -0.628 1.00 0.00 O ATOM 156 CB LEU A 10 9.742 4.867 1.228 1.00 0.00 C ATOM 157 CG LEU A 10 8.386 4.454 1.804 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.561 3.624 3.077 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.492 5.674 2.033 1.00 0.00 C ATOM 0 H LEU A 10 9.592 3.596 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 10 8.922 6.290 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.372 3.980 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.222 5.547 1.932 1.00 0.00 H new ATOM 0 HG LEU A 10 7.884 3.820 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.582 3.344 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.132 2.724 2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.093 4.212 3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.535 5.352 2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.976 6.354 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.327 6.187 1.086 1.00 0.00 H new ATOM 171 N GLU A 11 12.066 5.494 -0.654 1.00 0.00 N ATOM 172 CA GLU A 11 13.363 6.054 -0.993 1.00 0.00 C ATOM 173 C GLU A 11 13.240 6.982 -2.204 1.00 0.00 C ATOM 174 O GLU A 11 13.718 8.115 -2.174 1.00 0.00 O ATOM 175 CB GLU A 11 14.388 4.948 -1.251 1.00 0.00 C ATOM 176 CG GLU A 11 14.979 4.431 0.062 1.00 0.00 C ATOM 177 CD GLU A 11 16.482 4.181 -0.074 1.00 0.00 C ATOM 178 OE1 GLU A 11 17.193 5.158 -0.392 1.00 0.00 O ATOM 179 OE2 GLU A 11 16.885 3.018 0.143 1.00 0.00 O ATOM 0 H GLU A 11 12.054 4.480 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 11 13.717 6.640 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.915 4.127 -1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.186 5.328 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.798 5.155 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.478 3.507 0.352 1.00 0.00 H new ATOM 186 N LEU A 12 12.598 6.466 -3.241 1.00 0.00 N ATOM 187 CA LEU A 12 12.406 7.234 -4.460 1.00 0.00 C ATOM 188 C LEU A 12 11.792 8.591 -4.112 1.00 0.00 C ATOM 189 O LEU A 12 12.452 9.623 -4.227 1.00 0.00 O ATOM 190 CB LEU A 12 11.590 6.432 -5.476 1.00 0.00 C ATOM 191 CG LEU A 12 11.039 7.220 -6.666 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.898 8.142 -6.232 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.155 7.986 -7.380 1.00 0.00 C ATOM 0 H LEU A 12 12.204 5.525 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 12 13.364 7.431 -4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.215 5.625 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 12 10.753 5.967 -4.955 1.00 0.00 H new ATOM 0 HG LEU A 12 10.625 6.511 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.524 8.690 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.092 7.546 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.264 8.847 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.737 8.538 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 12 12.620 8.684 -6.684 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.904 7.283 -7.743 1.00 0.00 H new ATOM 205 N PHE A 13 10.536 8.546 -3.693 1.00 0.00 N ATOM 206 CA PHE A 13 9.826 9.760 -3.327 1.00 0.00 C ATOM 207 C PHE A 13 10.755 10.745 -2.615 1.00 0.00 C ATOM 208 O PHE A 13 10.944 11.869 -3.076 1.00 0.00 O ATOM 209 CB PHE A 13 8.705 9.351 -2.369 1.00 0.00 C ATOM 210 CG PHE A 13 7.728 10.480 -2.036 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.048 11.107 -3.033 1.00 0.00 C ATOM 212 CD2 PHE A 13 7.538 10.856 -0.743 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.141 12.155 -2.725 1.00 0.00 C ATOM 214 CE2 PHE A 13 6.631 11.904 -0.434 1.00 0.00 C ATOM 215 CZ PHE A 13 5.952 12.531 -1.431 1.00 0.00 C ATOM 0 H PHE A 13 9.992 7.688 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 13 9.439 10.249 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.150 8.522 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.148 8.983 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.198 10.808 -4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.077 10.357 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.602 12.653 -3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.481 12.203 0.593 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.262 13.328 -1.196 1.00 0.00 H new ATOM 225 N LYS A 14 11.309 10.288 -1.501 1.00 0.00 N ATOM 226 CA LYS A 14 12.213 11.115 -0.721 1.00 0.00 C ATOM 227 C LYS A 14 13.321 11.650 -1.630 1.00 0.00 C ATOM 228 O LYS A 14 13.709 12.812 -1.525 1.00 0.00 O ATOM 229 CB LYS A 14 12.733 10.342 0.493 1.00 0.00 C ATOM 230 CG LYS A 14 13.867 11.103 1.183 1.00 0.00 C ATOM 231 CD LYS A 14 14.670 10.179 2.100 1.00 0.00 C ATOM 232 CE LYS A 14 16.174 10.370 1.891 1.00 0.00 C ATOM 233 NZ LYS A 14 16.526 10.196 0.464 1.00 0.00 N ATOM 0 H LYS A 14 11.149 9.355 -1.120 1.00 0.00 H new ATOM 0 HA LYS A 14 11.686 11.980 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.919 10.176 1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.087 9.360 0.179 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.526 11.539 0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.455 11.929 1.763 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.415 10.382 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.401 9.141 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.470 11.364 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.725 9.652 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.476 9.779 0.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.834 9.566 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.515 11.121 -0.011 1.00 0.00 H new ATOM 247 N SER A 15 13.800 10.775 -2.503 1.00 0.00 N ATOM 248 CA SER A 15 14.856 11.145 -3.430 1.00 0.00 C ATOM 249 C SER A 15 14.324 12.147 -4.457 1.00 0.00 C ATOM 250 O SER A 15 15.049 13.043 -4.888 1.00 0.00 O ATOM 251 CB SER A 15 15.425 9.913 -4.137 1.00 0.00 C ATOM 252 OG SER A 15 16.261 10.266 -5.236 1.00 0.00 O ATOM 0 H SER A 15 13.476 9.811 -2.588 1.00 0.00 H new ATOM 0 HA SER A 15 15.662 11.610 -2.862 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.995 9.317 -3.424 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.606 9.288 -4.491 1.00 0.00 H new ATOM 0 HG SER A 15 16.605 9.452 -5.660 1.00 0.00 H new ATOM 258 N LEU A 16 13.063 11.964 -4.817 1.00 0.00 N ATOM 259 CA LEU A 16 12.425 12.841 -5.785 1.00 0.00 C ATOM 260 C LEU A 16 12.328 14.252 -5.201 1.00 0.00 C ATOM 261 O LEU A 16 12.297 14.423 -3.983 1.00 0.00 O ATOM 262 CB LEU A 16 11.079 12.263 -6.226 1.00 0.00 C ATOM 263 CG LEU A 16 11.138 11.140 -7.263 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.732 10.701 -7.677 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.989 11.549 -8.467 1.00 0.00 C ATOM 0 H LEU A 16 12.465 11.221 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 16 13.027 12.911 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.560 11.889 -5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.474 13.074 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 16 11.622 10.278 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.803 9.902 -8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.191 10.340 -6.802 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.199 11.548 -8.109 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.014 10.733 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.557 12.434 -8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.003 11.773 -8.136 1.00 0.00 H new ATOM 277 N PRO A 17 12.280 15.252 -6.120 1.00 0.00 N ATOM 278 CA PRO A 17 12.187 16.643 -5.709 1.00 0.00 C ATOM 279 C PRO A 17 10.776 16.977 -5.222 1.00 0.00 C ATOM 280 O PRO A 17 9.791 16.554 -5.826 1.00 0.00 O ATOM 281 CB PRO A 17 12.598 17.444 -6.934 1.00 0.00 C ATOM 282 CG PRO A 17 12.457 16.498 -8.116 1.00 0.00 C ATOM 283 CD PRO A 17 12.315 15.087 -7.571 1.00 0.00 C ATOM 0 HA PRO A 17 12.833 16.876 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.963 18.322 -7.058 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.623 17.803 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.587 16.764 -8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.328 16.569 -8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.406 14.611 -7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.150 14.458 -7.878 1.00 0.00 H new ATOM 291 N LYS A 18 10.723 17.732 -4.135 1.00 0.00 N ATOM 292 CA LYS A 18 9.448 18.128 -3.560 1.00 0.00 C ATOM 293 C LYS A 18 8.433 18.348 -4.683 1.00 0.00 C ATOM 294 O LYS A 18 7.495 17.568 -4.839 1.00 0.00 O ATOM 295 CB LYS A 18 9.627 19.342 -2.646 1.00 0.00 C ATOM 296 CG LYS A 18 10.750 20.249 -3.152 1.00 0.00 C ATOM 297 CD LYS A 18 10.348 21.723 -3.062 1.00 0.00 C ATOM 298 CE LYS A 18 11.385 22.527 -2.276 1.00 0.00 C ATOM 299 NZ LYS A 18 12.389 23.113 -3.191 1.00 0.00 N ATOM 0 H LYS A 18 11.542 18.080 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 18 9.054 17.335 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.695 19.905 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.853 19.009 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.652 20.078 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.989 19.996 -4.185 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.245 22.137 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.374 21.809 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.890 23.319 -1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.879 21.882 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.085 23.655 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.873 22.352 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.915 23.744 -3.868 1.00 0.00 H new ATOM 313 N GLU A 19 8.655 19.414 -5.438 1.00 0.00 N ATOM 314 CA GLU A 19 7.771 19.747 -6.542 1.00 0.00 C ATOM 315 C GLU A 19 7.238 18.471 -7.198 1.00 0.00 C ATOM 316 O GLU A 19 6.027 18.286 -7.310 1.00 0.00 O ATOM 317 CB GLU A 19 8.483 20.633 -7.566 1.00 0.00 C ATOM 318 CG GLU A 19 9.900 20.126 -7.840 1.00 0.00 C ATOM 319 CD GLU A 19 10.915 21.269 -7.771 1.00 0.00 C ATOM 320 OE1 GLU A 19 10.707 22.257 -8.508 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.875 21.130 -6.983 1.00 0.00 O ATOM 0 H GLU A 19 9.435 20.058 -5.307 1.00 0.00 H new ATOM 0 HA GLU A 19 6.925 20.311 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.913 20.651 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.525 21.658 -7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.162 19.358 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.939 19.659 -8.824 1.00 0.00 H new ATOM 328 N LEU A 20 8.169 17.624 -7.614 1.00 0.00 N ATOM 329 CA LEU A 20 7.807 16.372 -8.255 1.00 0.00 C ATOM 330 C LEU A 20 7.030 15.502 -7.265 1.00 0.00 C ATOM 331 O LEU A 20 5.946 15.014 -7.580 1.00 0.00 O ATOM 332 CB LEU A 20 9.048 15.688 -8.832 1.00 0.00 C ATOM 333 CG LEU A 20 9.471 16.136 -10.232 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.713 15.375 -10.700 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.313 16.007 -11.223 1.00 0.00 C ATOM 0 H LEU A 20 9.172 17.781 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 20 7.148 16.555 -9.104 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.882 15.857 -8.151 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.868 14.613 -8.855 1.00 0.00 H new ATOM 0 HG LEU A 20 9.739 17.192 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.992 15.713 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.536 15.562 -10.010 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.497 14.307 -10.726 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.641 16.332 -12.210 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.990 14.967 -11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.481 16.630 -10.894 1.00 0.00 H new ATOM 347 N ARG A 21 7.615 15.335 -6.088 1.00 0.00 N ATOM 348 CA ARG A 21 6.991 14.533 -5.049 1.00 0.00 C ATOM 349 C ARG A 21 5.488 14.813 -4.993 1.00 0.00 C ATOM 350 O ARG A 21 4.677 13.894 -5.096 1.00 0.00 O ATOM 351 CB ARG A 21 7.609 14.827 -3.681 1.00 0.00 C ATOM 352 CG ARG A 21 9.071 14.378 -3.632 1.00 0.00 C ATOM 353 CD ARG A 21 9.597 14.379 -2.195 1.00 0.00 C ATOM 354 NE ARG A 21 10.773 15.271 -2.086 1.00 0.00 N ATOM 355 CZ ARG A 21 11.183 15.837 -0.943 1.00 0.00 C ATOM 356 NH1 ARG A 21 10.516 15.608 0.196 1.00 0.00 N ATOM 357 NH2 ARG A 21 12.261 16.633 -0.939 1.00 0.00 N ATOM 0 H ARG A 21 8.514 15.741 -5.831 1.00 0.00 H new ATOM 0 HA ARG A 21 7.160 13.484 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.546 15.895 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.041 14.315 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.162 13.378 -4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.680 15.041 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.814 14.711 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.870 13.366 -1.898 1.00 0.00 H new ATOM 0 HE ARG A 21 11.305 15.467 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.695 15.002 0.193 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.829 16.039 1.066 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.769 16.808 -1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.573 17.064 -0.069 1.00 0.00 H new ATOM 371 N SER A 22 5.161 16.087 -4.830 1.00 0.00 N ATOM 372 CA SER A 22 3.770 16.500 -4.759 1.00 0.00 C ATOM 373 C SER A 22 2.947 15.746 -5.805 1.00 0.00 C ATOM 374 O SER A 22 1.778 15.437 -5.575 1.00 0.00 O ATOM 375 CB SER A 22 3.632 18.010 -4.963 1.00 0.00 C ATOM 376 OG SER A 22 2.348 18.487 -4.570 1.00 0.00 O ATOM 0 H SER A 22 5.836 16.847 -4.745 1.00 0.00 H new ATOM 0 HA SER A 22 3.392 16.259 -3.765 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.402 18.525 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.803 18.251 -6.012 1.00 0.00 H new ATOM 0 HG SER A 22 2.300 19.455 -4.714 1.00 0.00 H new ATOM 382 N GLN A 23 3.588 15.471 -6.931 1.00 0.00 N ATOM 383 CA GLN A 23 2.930 14.759 -8.013 1.00 0.00 C ATOM 384 C GLN A 23 2.798 13.274 -7.669 1.00 0.00 C ATOM 385 O GLN A 23 1.725 12.692 -7.817 1.00 0.00 O ATOM 386 CB GLN A 23 3.679 14.952 -9.333 1.00 0.00 C ATOM 387 CG GLN A 23 4.115 16.408 -9.508 1.00 0.00 C ATOM 388 CD GLN A 23 3.969 16.852 -10.965 1.00 0.00 C ATOM 389 OE1 GLN A 23 3.976 16.054 -11.888 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.836 18.166 -11.119 1.00 0.00 N ATOM 0 H GLN A 23 4.557 15.729 -7.118 1.00 0.00 H new ATOM 0 HA GLN A 23 1.929 15.173 -8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.553 14.301 -9.358 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.039 14.658 -10.165 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.513 17.051 -8.866 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.152 16.522 -9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.838 18.778 -10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.731 18.562 -12.053 1.00 0.00 H new ATOM 399 N VAL A 24 3.905 12.704 -7.216 1.00 0.00 N ATOM 400 CA VAL A 24 3.927 11.298 -6.849 1.00 0.00 C ATOM 401 C VAL A 24 2.721 10.989 -5.961 1.00 0.00 C ATOM 402 O VAL A 24 1.859 10.194 -6.333 1.00 0.00 O ATOM 403 CB VAL A 24 5.262 10.951 -6.187 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.234 9.537 -5.604 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.422 11.115 -7.172 1.00 0.00 C ATOM 0 H VAL A 24 4.793 13.190 -7.095 1.00 0.00 H new ATOM 0 HA VAL A 24 3.847 10.670 -7.736 1.00 0.00 H new ATOM 0 HB VAL A 24 5.419 11.649 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.195 9.316 -5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.445 9.468 -4.856 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.042 8.819 -6.401 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.359 10.862 -6.676 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.272 10.452 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.462 12.148 -7.518 1.00 0.00 H new ATOM 415 N LEU A 25 2.699 11.632 -4.803 1.00 0.00 N ATOM 416 CA LEU A 25 1.612 11.435 -3.858 1.00 0.00 C ATOM 417 C LEU A 25 0.281 11.425 -4.613 1.00 0.00 C ATOM 418 O LEU A 25 -0.584 10.594 -4.342 1.00 0.00 O ATOM 419 CB LEU A 25 1.678 12.478 -2.741 1.00 0.00 C ATOM 420 CG LEU A 25 2.905 12.408 -1.829 1.00 0.00 C ATOM 421 CD1 LEU A 25 2.754 13.351 -0.634 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.183 10.969 -1.393 1.00 0.00 C ATOM 0 H LEU A 25 3.416 12.290 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 25 1.706 10.467 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.643 13.469 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.785 12.377 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 25 3.772 12.745 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.639 13.282 -0.002 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.642 14.375 -0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.873 13.069 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.060 10.948 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.322 10.581 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.366 10.351 -2.272 1.00 0.00 H new ATOM 434 N LEU A 26 0.160 12.359 -5.545 1.00 0.00 N ATOM 435 CA LEU A 26 -1.051 12.468 -6.341 1.00 0.00 C ATOM 436 C LEU A 26 -1.193 11.223 -7.219 1.00 0.00 C ATOM 437 O LEU A 26 -2.269 10.630 -7.292 1.00 0.00 O ATOM 438 CB LEU A 26 -1.058 13.780 -7.128 1.00 0.00 C ATOM 439 CG LEU A 26 -1.362 15.044 -6.321 1.00 0.00 C ATOM 440 CD1 LEU A 26 -1.475 16.265 -7.237 1.00 0.00 C ATOM 441 CD2 LEU A 26 -2.611 14.857 -5.457 1.00 0.00 C ATOM 0 H LEU A 26 0.880 13.047 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.929 12.505 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.084 13.901 -7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.794 13.697 -7.927 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.528 15.226 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.691 17.150 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.535 16.408 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.279 16.107 -7.956 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.804 15.770 -4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.466 14.637 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.454 14.030 -4.764 1.00 0.00 H new ATOM 453 N GLU A 27 -0.093 10.864 -7.863 1.00 0.00 N ATOM 454 CA GLU A 27 -0.081 9.700 -8.733 1.00 0.00 C ATOM 455 C GLU A 27 -0.572 8.465 -7.975 1.00 0.00 C ATOM 456 O GLU A 27 -1.531 7.818 -8.391 1.00 0.00 O ATOM 457 CB GLU A 27 1.313 9.467 -9.318 1.00 0.00 C ATOM 458 CG GLU A 27 1.763 10.663 -10.158 1.00 0.00 C ATOM 459 CD GLU A 27 2.218 10.216 -11.549 1.00 0.00 C ATOM 460 OE1 GLU A 27 2.852 9.141 -11.621 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.921 10.959 -12.510 1.00 0.00 O ATOM 0 H GLU A 27 0.797 11.359 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.761 9.885 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.026 9.296 -8.511 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.307 8.568 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.943 11.376 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.579 11.180 -9.653 1.00 0.00 H new ATOM 468 N TYR A 28 0.109 8.176 -6.875 1.00 0.00 N ATOM 469 CA TYR A 28 -0.246 7.031 -6.055 1.00 0.00 C ATOM 470 C TYR A 28 -1.763 6.925 -5.887 1.00 0.00 C ATOM 471 O TYR A 28 -2.350 5.878 -6.156 1.00 0.00 O ATOM 472 CB TYR A 28 0.391 7.279 -4.686 1.00 0.00 C ATOM 473 CG TYR A 28 1.870 6.895 -4.610 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.550 6.535 -5.756 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.525 6.910 -3.395 1.00 0.00 C ATOM 476 CE1 TYR A 28 3.942 6.175 -5.684 1.00 0.00 C ATOM 477 CE2 TYR A 28 3.917 6.549 -3.323 1.00 0.00 C ATOM 478 CZ TYR A 28 4.557 6.199 -4.471 1.00 0.00 C ATOM 479 OH TYR A 28 5.872 5.859 -4.403 1.00 0.00 O ATOM 0 H TYR A 28 0.904 8.715 -6.533 1.00 0.00 H new ATOM 0 HA TYR A 28 0.101 6.107 -6.517 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.287 8.334 -4.434 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.160 6.715 -3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.038 6.523 -6.707 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.993 7.193 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.486 5.892 -6.573 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.441 6.556 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 28 6.240 6.146 -3.541 1.00 0.00 H new ATOM 489 N ALA A 29 -2.355 8.024 -5.442 1.00 0.00 N ATOM 490 CA ALA A 29 -3.792 8.069 -5.235 1.00 0.00 C ATOM 491 C ALA A 29 -4.503 7.804 -6.564 1.00 0.00 C ATOM 492 O ALA A 29 -5.588 7.224 -6.586 1.00 0.00 O ATOM 493 CB ALA A 29 -4.179 9.418 -4.626 1.00 0.00 C ATOM 0 H ALA A 29 -1.865 8.890 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.103 7.294 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.257 9.451 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.671 9.545 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.885 10.220 -5.303 1.00 0.00 H new ATOM 499 N ALA A 30 -3.863 8.240 -7.638 1.00 0.00 N ATOM 500 CA ALA A 30 -4.421 8.057 -8.968 1.00 0.00 C ATOM 501 C ALA A 30 -4.323 6.581 -9.358 1.00 0.00 C ATOM 502 O ALA A 30 -5.150 6.081 -10.119 1.00 0.00 O ATOM 503 CB ALA A 30 -3.694 8.971 -9.956 1.00 0.00 C ATOM 0 H ALA A 30 -2.963 8.720 -7.615 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.475 8.333 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.112 8.834 -10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.818 10.010 -9.650 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.633 8.721 -9.970 1.00 0.00 H new ATOM 509 N LYS A 31 -3.305 5.926 -8.820 1.00 0.00 N ATOM 510 CA LYS A 31 -3.089 4.517 -9.103 1.00 0.00 C ATOM 511 C LYS A 31 -3.721 3.675 -7.992 1.00 0.00 C ATOM 512 O LYS A 31 -3.106 2.732 -7.498 1.00 0.00 O ATOM 513 CB LYS A 31 -1.600 4.236 -9.316 1.00 0.00 C ATOM 514 CG LYS A 31 -1.063 5.009 -10.521 1.00 0.00 C ATOM 515 CD LYS A 31 -0.101 6.114 -10.080 1.00 0.00 C ATOM 516 CE LYS A 31 1.335 5.792 -10.501 1.00 0.00 C ATOM 517 NZ LYS A 31 1.399 5.516 -11.953 1.00 0.00 N ATOM 0 H LYS A 31 -2.621 6.345 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.580 4.236 -10.035 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.042 4.515 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.446 3.168 -9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.551 4.325 -11.197 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.893 5.445 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.408 7.064 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.149 6.232 -8.997 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.989 6.629 -10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.699 4.928 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.291 5.887 -12.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.353 4.489 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.598 5.977 -12.430 1.00 0.00 H new ATOM 531 N VAL A 32 -4.940 4.048 -7.633 1.00 0.00 N ATOM 532 CA VAL A 32 -5.662 3.339 -6.590 1.00 0.00 C ATOM 533 C VAL A 32 -7.110 3.123 -7.035 1.00 0.00 C ATOM 534 O VAL A 32 -7.950 4.007 -6.876 1.00 0.00 O ATOM 535 CB VAL A 32 -5.550 4.098 -5.267 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.385 3.425 -4.175 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.089 4.234 -4.835 1.00 0.00 C ATOM 0 H VAL A 32 -5.446 4.832 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.223 2.355 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.948 5.101 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.287 3.985 -3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.432 3.405 -4.478 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.031 2.405 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.038 4.778 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.654 3.243 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.533 4.779 -5.598 1.00 0.00 H new ATOM 547 N PRO A 33 -7.365 1.911 -7.597 1.00 0.00 N ATOM 548 CA PRO A 33 -8.697 1.568 -8.066 1.00 0.00 C ATOM 549 C PRO A 33 -9.628 1.257 -6.892 1.00 0.00 C ATOM 550 O PRO A 33 -9.167 0.968 -5.789 1.00 0.00 O ATOM 551 CB PRO A 33 -8.494 0.381 -8.993 1.00 0.00 C ATOM 552 CG PRO A 33 -7.127 -0.188 -8.650 1.00 0.00 C ATOM 553 CD PRO A 33 -6.395 0.839 -7.801 1.00 0.00 C ATOM 0 HA PRO A 33 -9.182 2.390 -8.593 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.275 -0.365 -8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.538 0.689 -10.038 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.230 -1.128 -8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.564 -0.404 -9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.073 0.411 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.501 1.205 -8.306 1.00 0.00 H new ATOM 561 N PRO A 34 -10.956 1.330 -7.177 1.00 0.00 N ATOM 562 CA PRO A 34 -11.955 1.060 -6.158 1.00 0.00 C ATOM 563 C PRO A 34 -12.062 -0.441 -5.878 1.00 0.00 C ATOM 564 O PRO A 34 -11.718 -1.260 -6.729 1.00 0.00 O ATOM 565 CB PRO A 34 -13.243 1.655 -6.703 1.00 0.00 C ATOM 566 CG PRO A 34 -13.025 1.823 -8.198 1.00 0.00 C ATOM 567 CD PRO A 34 -11.538 1.669 -8.472 1.00 0.00 C ATOM 0 HA PRO A 34 -11.703 1.503 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.091 1.000 -6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.462 2.612 -6.230 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.595 1.078 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.375 2.802 -8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.350 0.887 -9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.111 2.590 -8.869 1.00 0.00 H new ATOM 575 N PRO A 35 -12.553 -0.763 -4.652 1.00 0.00 N ATOM 576 CA PRO A 35 -12.709 -2.151 -4.249 1.00 0.00 C ATOM 577 C PRO A 35 -13.917 -2.789 -4.938 1.00 0.00 C ATOM 578 O PRO A 35 -14.801 -2.086 -5.426 1.00 0.00 O ATOM 579 CB PRO A 35 -12.842 -2.109 -2.736 1.00 0.00 C ATOM 580 CG PRO A 35 -13.222 -0.678 -2.390 1.00 0.00 C ATOM 581 CD PRO A 35 -12.970 0.181 -3.619 1.00 0.00 C ATOM 0 HA PRO A 35 -11.863 -2.772 -4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.603 -2.809 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.906 -2.392 -2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.269 -0.622 -2.093 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.632 -0.320 -1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.869 0.721 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.198 0.927 -3.429 1.00 0.00 H new ATOM 589 N PRO A 36 -13.916 -4.149 -4.957 1.00 0.00 N ATOM 590 CA PRO A 36 -15.000 -4.889 -5.579 1.00 0.00 C ATOM 591 C PRO A 36 -16.252 -4.868 -4.700 1.00 0.00 C ATOM 592 O PRO A 36 -16.180 -4.535 -3.518 1.00 0.00 O ATOM 593 CB PRO A 36 -14.448 -6.289 -5.793 1.00 0.00 C ATOM 594 CG PRO A 36 -13.248 -6.410 -4.868 1.00 0.00 C ATOM 595 CD PRO A 36 -12.885 -5.014 -4.390 1.00 0.00 C ATOM 0 HA PRO A 36 -15.320 -4.452 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.198 -7.044 -5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.157 -6.439 -6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.483 -7.054 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.407 -6.865 -5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.876 -4.958 -3.301 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.892 -4.724 -4.733 1.00 0.00 H new ATOM 603 N PRO A 37 -17.401 -5.238 -5.327 1.00 0.00 N ATOM 604 CA PRO A 37 -18.667 -5.265 -4.615 1.00 0.00 C ATOM 605 C PRO A 37 -18.747 -6.475 -3.683 1.00 0.00 C ATOM 606 O PRO A 37 -19.750 -6.671 -2.998 1.00 0.00 O ATOM 607 CB PRO A 37 -19.730 -5.282 -5.702 1.00 0.00 C ATOM 608 CG PRO A 37 -19.022 -5.733 -6.970 1.00 0.00 C ATOM 609 CD PRO A 37 -17.524 -5.639 -6.726 1.00 0.00 C ATOM 0 HA PRO A 37 -18.799 -4.404 -3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -20.541 -5.963 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -20.172 -4.294 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -19.304 -6.755 -7.222 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -19.312 -5.105 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.032 -6.594 -6.909 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.060 -4.909 -7.389 1.00 0.00 H new ATOM 617 N GLY A 38 -17.676 -7.255 -3.686 1.00 0.00 N ATOM 618 CA GLY A 38 -17.611 -8.441 -2.848 1.00 0.00 C ATOM 619 C GLY A 38 -16.474 -8.332 -1.830 1.00 0.00 C ATOM 620 O GLY A 38 -15.603 -9.199 -1.773 1.00 0.00 O ATOM 0 H GLY A 38 -16.846 -7.089 -4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.559 -8.575 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.463 -9.323 -3.471 1.00 0.00 H new ATOM 624 N VAL A 39 -16.519 -7.261 -1.052 1.00 0.00 N ATOM 625 CA VAL A 39 -15.504 -7.028 -0.040 1.00 0.00 C ATOM 626 C VAL A 39 -16.028 -6.013 0.978 1.00 0.00 C ATOM 627 O VAL A 39 -16.736 -5.075 0.617 1.00 0.00 O ATOM 628 CB VAL A 39 -14.196 -6.589 -0.702 1.00 0.00 C ATOM 629 CG1 VAL A 39 -14.381 -5.276 -1.464 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.072 -6.472 0.330 1.00 0.00 C ATOM 0 H VAL A 39 -17.243 -6.545 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.286 -7.949 0.501 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.911 -7.356 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.437 -4.987 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -15.137 -5.408 -2.238 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -14.701 -4.496 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.154 -6.159 -0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.346 -5.735 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.915 -7.439 0.808 1.00 0.00 H new ATOM 640 N GLU A 40 -15.659 -6.236 2.231 1.00 0.00 N ATOM 641 CA GLU A 40 -16.084 -5.353 3.304 1.00 0.00 C ATOM 642 C GLU A 40 -14.884 -4.590 3.870 1.00 0.00 C ATOM 643 O GLU A 40 -13.879 -5.195 4.243 1.00 0.00 O ATOM 644 CB GLU A 40 -16.805 -6.134 4.404 1.00 0.00 C ATOM 645 CG GLU A 40 -16.960 -5.285 5.668 1.00 0.00 C ATOM 646 CD GLU A 40 -18.273 -5.604 6.385 1.00 0.00 C ATOM 647 OE1 GLU A 40 -19.316 -5.107 5.907 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.205 -6.337 7.395 1.00 0.00 O ATOM 0 H GLU A 40 -15.071 -7.015 2.527 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.790 -4.630 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.787 -6.447 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.247 -7.041 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.121 -5.469 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.932 -4.227 5.406 1.00 0.00 H new ATOM 655 N LEU A 41 -15.028 -3.274 3.917 1.00 0.00 N ATOM 656 CA LEU A 41 -13.968 -2.423 4.430 1.00 0.00 C ATOM 657 C LEU A 41 -14.350 -1.927 5.827 1.00 0.00 C ATOM 658 O LEU A 41 -15.531 -1.860 6.164 1.00 0.00 O ATOM 659 CB LEU A 41 -13.659 -1.297 3.442 1.00 0.00 C ATOM 660 CG LEU A 41 -13.359 -1.729 2.005 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.320 -1.062 1.020 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.895 -1.463 1.647 1.00 0.00 C ATOM 0 H LEU A 41 -15.863 -2.776 3.608 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.042 -2.988 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.507 -0.613 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.804 -0.735 3.818 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.518 -2.805 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.085 -1.386 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.344 -1.345 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.217 0.021 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.708 -1.779 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.685 -0.398 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.248 -2.023 2.322 1.00 0.00 H new ATOM 674 N GLU A 42 -13.328 -1.593 6.601 1.00 0.00 N ATOM 675 CA GLU A 42 -13.542 -1.106 7.953 1.00 0.00 C ATOM 676 C GLU A 42 -13.050 0.337 8.082 1.00 0.00 C ATOM 677 O GLU A 42 -11.867 0.613 7.887 1.00 0.00 O ATOM 678 CB GLU A 42 -12.856 -2.013 8.978 1.00 0.00 C ATOM 679 CG GLU A 42 -13.215 -1.597 10.405 1.00 0.00 C ATOM 680 CD GLU A 42 -12.435 -2.423 11.430 1.00 0.00 C ATOM 681 OE1 GLU A 42 -12.803 -3.605 11.604 1.00 0.00 O ATOM 682 OE2 GLU A 42 -11.488 -1.854 12.015 1.00 0.00 O ATOM 0 H GLU A 42 -12.350 -1.650 6.318 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.612 -1.124 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.155 -3.048 8.811 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.775 -1.968 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.997 -0.538 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.285 -1.726 10.567 1.00 0.00 H new ATOM 689 N ARG A 43 -13.983 1.219 8.408 1.00 0.00 N ATOM 690 CA ARG A 43 -13.659 2.627 8.565 1.00 0.00 C ATOM 691 C ARG A 43 -12.525 2.802 9.577 1.00 0.00 C ATOM 692 O ARG A 43 -12.475 2.099 10.586 1.00 0.00 O ATOM 693 CB ARG A 43 -14.878 3.424 9.032 1.00 0.00 C ATOM 694 CG ARG A 43 -14.500 4.874 9.342 1.00 0.00 C ATOM 695 CD ARG A 43 -15.626 5.831 8.947 1.00 0.00 C ATOM 696 NE ARG A 43 -16.899 5.397 9.564 1.00 0.00 N ATOM 697 CZ ARG A 43 -17.979 6.180 9.688 1.00 0.00 C ATOM 698 NH1 ARG A 43 -17.948 7.442 9.238 1.00 0.00 N ATOM 699 NH2 ARG A 43 -19.092 5.701 10.262 1.00 0.00 N ATOM 0 H ARG A 43 -14.963 0.986 8.568 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.343 3.005 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.648 3.402 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.303 2.957 9.921 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.286 4.978 10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.588 5.138 8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.383 6.844 9.269 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.728 5.857 7.862 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.958 4.442 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.102 7.807 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -18.771 8.038 9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.116 4.740 10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.914 6.297 10.356 1.00 0.00 H new ATOM 713 N VAL A 44 -11.643 3.742 9.273 1.00 0.00 N ATOM 714 CA VAL A 44 -10.513 4.017 10.144 1.00 0.00 C ATOM 715 C VAL A 44 -10.829 5.237 11.012 1.00 0.00 C ATOM 716 O VAL A 44 -10.592 6.373 10.603 1.00 0.00 O ATOM 717 CB VAL A 44 -9.240 4.190 9.312 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.053 4.572 10.198 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.937 2.925 8.506 1.00 0.00 C ATOM 0 H VAL A 44 -11.688 4.323 8.436 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.335 3.177 10.815 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.408 5.005 8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.162 4.689 9.582 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.267 5.511 10.708 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.883 3.789 10.937 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.028 3.074 7.923 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.799 2.085 9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.768 2.714 7.833 1.00 0.00 H new ATOM 729 N HIS A 45 -11.359 4.961 12.195 1.00 0.00 N ATOM 730 CA HIS A 45 -11.710 6.021 13.124 1.00 0.00 C ATOM 731 C HIS A 45 -10.454 6.807 13.503 1.00 0.00 C ATOM 732 O HIS A 45 -10.510 8.022 13.688 1.00 0.00 O ATOM 733 CB HIS A 45 -12.446 5.456 14.340 1.00 0.00 C ATOM 734 CG HIS A 45 -13.951 5.470 14.209 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.612 4.945 13.112 1.00 0.00 N ATOM 736 CD2 HIS A 45 -14.914 5.949 15.047 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.915 5.108 13.293 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.100 5.730 14.493 1.00 0.00 N ATOM 0 H HIS A 45 -11.554 4.018 12.531 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.400 6.716 12.645 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.116 4.431 14.508 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.163 6.030 15.222 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -14.741 6.426 16.000 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.694 4.802 12.610 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.001 5.985 14.898 1.00 0.00 H new ATOM 746 N GLU A 46 -9.350 6.082 13.609 1.00 0.00 N ATOM 747 CA GLU A 46 -8.082 6.697 13.963 1.00 0.00 C ATOM 748 C GLU A 46 -7.769 7.854 13.012 1.00 0.00 C ATOM 749 O GLU A 46 -7.015 8.762 13.360 1.00 0.00 O ATOM 750 CB GLU A 46 -6.953 5.665 13.961 1.00 0.00 C ATOM 751 CG GLU A 46 -6.634 5.199 15.383 1.00 0.00 C ATOM 752 CD GLU A 46 -5.592 6.110 16.037 1.00 0.00 C ATOM 753 OE1 GLU A 46 -4.391 5.855 15.807 1.00 0.00 O ATOM 754 OE2 GLU A 46 -6.022 7.040 16.753 1.00 0.00 O ATOM 0 H GLU A 46 -9.307 5.074 13.456 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.164 7.096 14.974 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.239 4.809 13.349 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.061 6.097 13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.545 5.194 15.981 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.263 4.174 15.359 1.00 0.00 H new ATOM 761 N CYS A 47 -8.363 7.783 11.830 1.00 0.00 N ATOM 762 CA CYS A 47 -8.157 8.813 10.826 1.00 0.00 C ATOM 763 C CYS A 47 -9.392 9.715 10.802 1.00 0.00 C ATOM 764 O CYS A 47 -10.477 9.299 11.205 1.00 0.00 O ATOM 765 CB CYS A 47 -7.863 8.212 9.450 1.00 0.00 C ATOM 766 SG CYS A 47 -7.517 9.545 8.245 1.00 0.00 S ATOM 0 H CYS A 47 -8.987 7.028 11.545 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.280 9.406 11.086 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.009 7.538 9.514 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.713 7.619 9.114 1.00 0.00 H new ATOM 0 HG CYS A 47 -7.267 9.023 7.081 1.00 0.00 H new ATOM 772 N GLN A 48 -9.187 10.935 10.326 1.00 0.00 N ATOM 773 CA GLN A 48 -10.270 11.899 10.245 1.00 0.00 C ATOM 774 C GLN A 48 -11.326 11.428 9.242 1.00 0.00 C ATOM 775 O GLN A 48 -12.376 10.920 9.632 1.00 0.00 O ATOM 776 CB GLN A 48 -9.743 13.287 9.875 1.00 0.00 C ATOM 777 CG GLN A 48 -9.654 14.186 11.109 1.00 0.00 C ATOM 778 CD GLN A 48 -8.471 15.151 11.000 1.00 0.00 C ATOM 779 OE1 GLN A 48 -8.570 16.237 10.454 1.00 0.00 O ATOM 780 NE2 GLN A 48 -7.348 14.694 11.549 1.00 0.00 N ATOM 0 H GLN A 48 -8.286 11.277 9.992 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.737 11.974 11.227 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.759 13.196 9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -10.400 13.744 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -10.580 14.751 11.219 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.546 13.572 12.003 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.334 13.775 11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.502 15.263 11.528 1.00 0.00 H new ATOM 789 N THR A 49 -11.010 11.613 7.968 1.00 0.00 N ATOM 790 CA THR A 49 -11.917 11.214 6.906 1.00 0.00 C ATOM 791 C THR A 49 -12.214 9.715 6.994 1.00 0.00 C ATOM 792 O THR A 49 -11.470 8.967 7.625 1.00 0.00 O ATOM 793 CB THR A 49 -11.298 11.633 5.572 1.00 0.00 C ATOM 794 OG1 THR A 49 -10.084 10.889 5.503 1.00 0.00 O ATOM 795 CG2 THR A 49 -10.841 13.093 5.572 1.00 0.00 C ATOM 0 H THR A 49 -10.138 12.034 7.648 1.00 0.00 H new ATOM 0 HA THR A 49 -12.882 11.712 7.003 1.00 0.00 H new ATOM 0 HB THR A 49 -12.022 11.479 4.772 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.783 10.840 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.409 13.339 4.602 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.696 13.742 5.764 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.092 13.240 6.350 1.00 0.00 H new ATOM 803 N PRO A 50 -13.333 9.311 6.334 1.00 0.00 N ATOM 804 CA PRO A 50 -13.737 7.916 6.332 1.00 0.00 C ATOM 805 C PRO A 50 -12.848 7.089 5.401 1.00 0.00 C ATOM 806 O PRO A 50 -13.232 6.794 4.270 1.00 0.00 O ATOM 807 CB PRO A 50 -15.196 7.930 5.903 1.00 0.00 C ATOM 808 CG PRO A 50 -15.421 9.277 5.235 1.00 0.00 C ATOM 809 CD PRO A 50 -14.239 10.169 5.576 1.00 0.00 C ATOM 0 HA PRO A 50 -13.627 7.445 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.409 7.112 5.214 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -15.857 7.804 6.761 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.510 9.158 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.351 9.726 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.760 10.553 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.551 11.032 6.164 1.00 0.00 H new ATOM 817 N PHE A 51 -11.677 6.738 5.911 1.00 0.00 N ATOM 818 CA PHE A 51 -10.730 5.951 5.140 1.00 0.00 C ATOM 819 C PHE A 51 -10.974 4.453 5.335 1.00 0.00 C ATOM 820 O PHE A 51 -10.619 3.893 6.371 1.00 0.00 O ATOM 821 CB PHE A 51 -9.333 6.299 5.657 1.00 0.00 C ATOM 822 CG PHE A 51 -8.195 5.679 4.843 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.465 5.046 3.670 1.00 0.00 C ATOM 824 CD2 PHE A 51 -6.915 5.759 5.294 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.410 4.470 2.915 1.00 0.00 C ATOM 826 CE2 PHE A 51 -5.859 5.183 4.539 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.129 4.551 3.365 1.00 0.00 C ATOM 0 H PHE A 51 -11.362 6.984 6.849 1.00 0.00 H new ATOM 0 HA PHE A 51 -10.839 6.174 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.217 7.383 5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.247 5.969 6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.482 4.982 3.313 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.701 6.261 6.226 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.624 3.968 1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.842 5.247 4.897 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.326 4.114 2.790 1.00 0.00 H new ATOM 837 N PHE A 52 -11.579 3.848 4.324 1.00 0.00 N ATOM 838 CA PHE A 52 -11.876 2.427 4.371 1.00 0.00 C ATOM 839 C PHE A 52 -10.726 1.607 3.782 1.00 0.00 C ATOM 840 O PHE A 52 -10.264 1.884 2.676 1.00 0.00 O ATOM 841 CB PHE A 52 -13.131 2.203 3.526 1.00 0.00 C ATOM 842 CG PHE A 52 -14.206 3.275 3.713 1.00 0.00 C ATOM 843 CD1 PHE A 52 -14.767 3.469 4.936 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.602 4.033 2.655 1.00 0.00 C ATOM 845 CE1 PHE A 52 -15.765 4.464 5.110 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.600 5.028 2.829 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.161 5.223 4.052 1.00 0.00 C ATOM 0 H PHE A 52 -11.872 4.317 3.467 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.020 2.112 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.847 2.167 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.555 1.230 3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.454 2.866 5.775 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.157 3.878 1.683 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.210 4.618 6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -15.914 5.630 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 52 -16.920 5.980 4.184 1.00 0.00 H new ATOM 857 N VAL A 53 -10.296 0.614 4.548 1.00 0.00 N ATOM 858 CA VAL A 53 -9.209 -0.247 4.115 1.00 0.00 C ATOM 859 C VAL A 53 -9.571 -1.704 4.410 1.00 0.00 C ATOM 860 O VAL A 53 -10.406 -1.979 5.270 1.00 0.00 O ATOM 861 CB VAL A 53 -7.900 0.189 4.777 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.581 1.649 4.450 1.00 0.00 C ATOM 863 CG2 VAL A 53 -7.949 -0.035 6.290 1.00 0.00 C ATOM 0 H VAL A 53 -10.681 0.387 5.465 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.058 -0.160 3.039 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.098 -0.429 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.646 1.934 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.483 1.767 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.386 2.288 4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.006 0.283 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.767 0.545 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.109 -1.093 6.496 1.00 0.00 H new ATOM 873 N HIS A 54 -8.924 -2.601 3.680 1.00 0.00 N ATOM 874 CA HIS A 54 -9.167 -4.023 3.852 1.00 0.00 C ATOM 875 C HIS A 54 -7.969 -4.816 3.325 1.00 0.00 C ATOM 876 O HIS A 54 -7.465 -4.537 2.238 1.00 0.00 O ATOM 877 CB HIS A 54 -10.485 -4.432 3.192 1.00 0.00 C ATOM 878 CG HIS A 54 -10.741 -5.920 3.203 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.034 -6.623 4.359 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.746 -6.831 2.187 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.204 -7.898 4.042 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.025 -8.025 2.696 1.00 0.00 N ATOM 0 H HIS A 54 -8.231 -2.370 2.968 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.272 -4.252 4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.306 -3.929 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.487 -4.081 2.160 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -11.107 -6.227 5.296 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.555 -6.617 1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.442 -8.697 4.729 1.00 0.00 H new ATOM 890 N ALA A 55 -7.548 -5.788 4.120 1.00 0.00 N ATOM 891 CA ALA A 55 -6.419 -6.623 3.748 1.00 0.00 C ATOM 892 C ALA A 55 -6.863 -8.087 3.710 1.00 0.00 C ATOM 893 O ALA A 55 -7.540 -8.557 4.623 1.00 0.00 O ATOM 894 CB ALA A 55 -5.266 -6.389 4.726 1.00 0.00 C ATOM 0 H ALA A 55 -7.969 -6.016 5.021 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.060 -6.361 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.419 -7.016 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.968 -5.341 4.693 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.588 -6.643 5.736 1.00 0.00 H new ATOM 900 N ASP A 56 -6.465 -8.766 2.645 1.00 0.00 N ATOM 901 CA ASP A 56 -6.813 -10.166 2.476 1.00 0.00 C ATOM 902 C ASP A 56 -5.607 -10.924 1.918 1.00 0.00 C ATOM 903 O ASP A 56 -4.593 -10.318 1.575 1.00 0.00 O ATOM 904 CB ASP A 56 -7.973 -10.331 1.491 1.00 0.00 C ATOM 905 CG ASP A 56 -9.351 -10.489 2.136 1.00 0.00 C ATOM 906 OD1 ASP A 56 -9.425 -10.304 3.370 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.299 -10.792 1.380 1.00 0.00 O ATOM 0 H ASP A 56 -5.904 -8.372 1.890 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.108 -10.559 3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.995 -9.464 0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.779 -11.203 0.867 1.00 0.00 H new ATOM 912 N VAL A 57 -5.757 -12.239 1.843 1.00 0.00 N ATOM 913 CA VAL A 57 -4.693 -13.085 1.332 1.00 0.00 C ATOM 914 C VAL A 57 -5.272 -14.062 0.307 1.00 0.00 C ATOM 915 O VAL A 57 -6.179 -14.832 0.620 1.00 0.00 O ATOM 916 CB VAL A 57 -3.981 -13.787 2.490 1.00 0.00 C ATOM 917 CG1 VAL A 57 -2.885 -14.722 1.974 1.00 0.00 C ATOM 918 CG2 VAL A 57 -3.412 -12.770 3.481 1.00 0.00 C ATOM 0 H VAL A 57 -6.600 -12.738 2.128 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.940 -12.485 0.821 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.717 -14.393 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.395 -15.208 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.328 -15.479 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.151 -14.146 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.911 -13.295 4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.697 -12.125 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.222 -12.164 3.886 1.00 0.00 H new ATOM 928 N GLU A 58 -4.725 -13.999 -0.898 1.00 0.00 N ATOM 929 CA GLU A 58 -5.176 -14.868 -1.972 1.00 0.00 C ATOM 930 C GLU A 58 -4.031 -15.140 -2.950 1.00 0.00 C ATOM 931 O GLU A 58 -3.584 -14.237 -3.655 1.00 0.00 O ATOM 932 CB GLU A 58 -6.383 -14.266 -2.694 1.00 0.00 C ATOM 933 CG GLU A 58 -7.645 -15.091 -2.433 1.00 0.00 C ATOM 934 CD GLU A 58 -7.991 -15.962 -3.643 1.00 0.00 C ATOM 935 OE1 GLU A 58 -8.414 -15.374 -4.662 1.00 0.00 O ATOM 936 OE2 GLU A 58 -7.825 -17.195 -3.521 1.00 0.00 O ATOM 0 H GLU A 58 -3.973 -13.359 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.491 -15.817 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.538 -13.241 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.187 -14.224 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.496 -15.722 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.479 -14.426 -2.209 1.00 0.00 H new ATOM 943 N GLY A 59 -3.590 -16.390 -2.963 1.00 0.00 N ATOM 944 CA GLY A 59 -2.507 -16.792 -3.843 1.00 0.00 C ATOM 945 C GLY A 59 -1.149 -16.596 -3.166 1.00 0.00 C ATOM 946 O GLY A 59 -0.115 -16.591 -3.832 1.00 0.00 O ATOM 0 H GLY A 59 -3.964 -17.137 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.630 -17.838 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.546 -16.209 -4.763 1.00 0.00 H new ATOM 950 N GLY A 60 -1.196 -16.440 -1.852 1.00 0.00 N ATOM 951 CA GLY A 60 0.018 -16.244 -1.077 1.00 0.00 C ATOM 952 C GLY A 60 0.374 -14.759 -0.983 1.00 0.00 C ATOM 953 O GLY A 60 1.325 -14.388 -0.296 1.00 0.00 O ATOM 0 H GLY A 60 -2.056 -16.445 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.115 -16.654 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.841 -16.790 -1.538 1.00 0.00 H new ATOM 957 N LYS A 61 -0.407 -13.950 -1.683 1.00 0.00 N ATOM 958 CA LYS A 61 -0.186 -12.514 -1.686 1.00 0.00 C ATOM 959 C LYS A 61 -1.244 -11.837 -0.812 1.00 0.00 C ATOM 960 O LYS A 61 -2.169 -12.491 -0.332 1.00 0.00 O ATOM 961 CB LYS A 61 -0.142 -11.982 -3.120 1.00 0.00 C ATOM 962 CG LYS A 61 -1.549 -11.666 -3.632 1.00 0.00 C ATOM 963 CD LYS A 61 -1.498 -11.052 -5.032 1.00 0.00 C ATOM 964 CE LYS A 61 -2.244 -11.927 -6.041 1.00 0.00 C ATOM 965 NZ LYS A 61 -1.457 -13.139 -6.360 1.00 0.00 N ATOM 0 H LYS A 61 -1.194 -14.262 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 61 0.786 -12.278 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.473 -11.083 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.328 -12.719 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.146 -12.578 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.043 -10.977 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.940 -10.056 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.460 -10.935 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.214 -12.213 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.434 -11.360 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.979 -13.721 -7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.541 -12.861 -6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.297 -13.688 -5.491 1.00 0.00 H new ATOM 979 N VAL A 62 -1.072 -10.536 -0.631 1.00 0.00 N ATOM 980 CA VAL A 62 -2.000 -9.764 0.177 1.00 0.00 C ATOM 981 C VAL A 62 -2.819 -8.845 -0.732 1.00 0.00 C ATOM 982 O VAL A 62 -2.258 -8.092 -1.527 1.00 0.00 O ATOM 983 CB VAL A 62 -1.240 -9.004 1.266 1.00 0.00 C ATOM 984 CG1 VAL A 62 -0.041 -9.814 1.764 1.00 0.00 C ATOM 985 CG2 VAL A 62 -0.800 -7.626 0.768 1.00 0.00 C ATOM 0 H VAL A 62 -0.304 -9.997 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.700 -10.424 0.689 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.918 -8.856 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.482 -9.252 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.388 -10.761 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.638 -10.007 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.262 -7.107 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.147 -7.743 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.677 -7.045 0.484 1.00 0.00 H new ATOM 995 N ARG A 63 -4.132 -8.937 -0.585 1.00 0.00 N ATOM 996 CA ARG A 63 -5.034 -8.123 -1.383 1.00 0.00 C ATOM 997 C ARG A 63 -5.280 -6.777 -0.699 1.00 0.00 C ATOM 998 O ARG A 63 -5.759 -6.730 0.433 1.00 0.00 O ATOM 999 CB ARG A 63 -6.373 -8.831 -1.595 1.00 0.00 C ATOM 1000 CG ARG A 63 -6.270 -9.877 -2.707 1.00 0.00 C ATOM 1001 CD ARG A 63 -6.188 -9.211 -4.082 1.00 0.00 C ATOM 1002 NE ARG A 63 -7.097 -9.893 -5.030 1.00 0.00 N ATOM 1003 CZ ARG A 63 -6.930 -11.152 -5.456 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -5.889 -11.874 -5.021 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -7.805 -11.689 -6.317 1.00 0.00 N ATOM 0 H ARG A 63 -4.594 -9.563 0.075 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.564 -7.961 -2.353 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.686 -9.311 -0.667 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.139 -8.099 -1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.388 -10.498 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.136 -10.538 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.457 -8.158 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.164 -9.251 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.901 -9.372 -5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.223 -11.465 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.762 -12.833 -5.345 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.598 -11.139 -6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.678 -12.648 -6.642 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.940 -5.714 -1.414 1.00 0.00 N ATOM 1020 CA LEU A 64 -5.118 -4.371 -0.890 1.00 0.00 C ATOM 1021 C LEU A 64 -6.424 -3.786 -1.432 1.00 0.00 C ATOM 1022 O LEU A 64 -6.772 -4.003 -2.592 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.888 -3.512 -1.190 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.559 -4.023 -0.630 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -2.204 -5.388 -1.223 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -1.444 -2.998 -0.843 1.00 0.00 C ATOM 0 H LEU A 64 -4.542 -5.756 -2.352 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.205 -4.394 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.791 -3.417 -2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.064 -2.511 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.670 -4.158 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.255 -5.729 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.986 -6.106 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.117 -5.303 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.510 -3.386 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.324 -2.808 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.702 -2.069 -0.336 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.111 -3.055 -0.566 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.371 -2.438 -0.943 1.00 0.00 C ATOM 1040 C TYR A 65 -8.559 -1.097 -0.231 1.00 0.00 C ATOM 1041 O TYR A 65 -8.604 -1.043 0.997 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.467 -3.402 -0.486 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.510 -4.713 -1.274 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.895 -4.710 -2.599 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -9.164 -5.899 -0.659 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -9.935 -5.944 -3.340 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -9.204 -7.133 -1.400 1.00 0.00 C ATOM 1048 CZ TYR A 65 -9.588 -7.095 -2.704 1.00 0.00 C ATOM 1049 OH TYR A 65 -9.626 -8.260 -3.404 1.00 0.00 O ATOM 0 H TYR A 65 -6.819 -2.876 0.395 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.400 -2.251 -2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.320 -3.629 0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.433 -2.905 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.166 -3.782 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.863 -5.902 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.234 -5.955 -4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.935 -8.068 -0.931 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.352 -9.000 -2.823 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.664 -0.047 -1.032 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.846 1.290 -0.493 1.00 0.00 C ATOM 1061 C PHE A 66 -10.032 1.992 -1.157 1.00 0.00 C ATOM 1062 O PHE A 66 -10.226 1.882 -2.367 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.568 2.074 -0.801 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.324 1.541 -0.087 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -6.314 1.427 1.268 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -5.229 1.181 -0.808 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -5.159 0.933 1.930 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.074 0.686 -0.146 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.064 0.573 1.210 1.00 0.00 C ATOM 0 H PHE A 66 -8.627 -0.095 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.043 1.236 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.393 2.056 -1.877 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.717 3.117 -0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.184 1.712 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.237 1.271 -1.884 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.151 0.843 3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.204 0.399 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.186 0.197 1.714 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.796 2.698 -0.336 1.00 0.00 N ATOM 1080 CA HIS A 67 -11.958 3.418 -0.828 1.00 0.00 C ATOM 1081 C HIS A 67 -12.028 4.795 -0.165 1.00 0.00 C ATOM 1082 O HIS A 67 -12.248 4.896 1.041 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.233 2.596 -0.624 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.492 3.289 -1.086 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -14.906 4.508 -0.578 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.421 2.923 -2.015 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.036 4.850 -1.180 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.354 3.866 -2.070 1.00 0.00 N ATOM 0 H HIS A 67 -10.633 2.787 0.667 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.864 3.575 -1.903 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.133 1.652 -1.159 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.331 2.354 0.434 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.401 2.019 -2.606 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.605 5.750 -0.998 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.173 3.856 -2.677 1.00 0.00 H new ATOM 1096 N VAL A 68 -11.838 5.820 -0.982 1.00 0.00 N ATOM 1097 CA VAL A 68 -11.876 7.186 -0.490 1.00 0.00 C ATOM 1098 C VAL A 68 -12.971 7.959 -1.229 1.00 0.00 C ATOM 1099 O VAL A 68 -12.925 8.091 -2.451 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.495 7.830 -0.625 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.353 9.026 0.320 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.386 6.805 -0.382 1.00 0.00 C ATOM 0 H VAL A 68 -11.657 5.732 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.125 7.203 0.571 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.395 8.196 -1.647 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.362 9.466 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.111 9.771 0.080 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.484 8.694 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.415 7.289 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.483 6.395 0.623 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.469 6.000 -1.112 1.00 0.00 H new ATOM 1112 N PRO A 69 -13.954 8.463 -0.436 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.058 9.219 -1.002 1.00 0.00 C ATOM 1114 C PRO A 69 -14.611 10.627 -1.400 1.00 0.00 C ATOM 1115 O PRO A 69 -14.740 11.018 -2.560 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.129 9.219 0.077 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.416 8.867 1.372 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.041 8.326 1.015 1.00 0.00 C ATOM 0 HA PRO A 69 -15.440 8.780 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.611 10.194 0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.910 8.493 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.326 9.746 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -15.985 8.124 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.252 8.889 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -13.933 7.286 1.322 1.00 0.00 H new ATOM 1126 N ASP A 70 -14.095 11.350 -0.417 1.00 0.00 N ATOM 1127 CA ASP A 70 -13.629 12.706 -0.651 1.00 0.00 C ATOM 1128 C ASP A 70 -12.462 12.676 -1.641 1.00 0.00 C ATOM 1129 O ASP A 70 -12.104 13.703 -2.216 1.00 0.00 O ATOM 1130 CB ASP A 70 -13.132 13.348 0.645 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.203 14.080 1.456 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -15.234 13.434 1.748 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -13.968 15.268 1.767 1.00 0.00 O ATOM 0 H ASP A 70 -13.989 11.022 0.543 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.463 13.286 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.690 12.572 1.271 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.337 14.053 0.402 1.00 0.00 H new ATOM 1138 N GLU A 71 -11.902 11.487 -1.810 1.00 0.00 N ATOM 1139 CA GLU A 71 -10.783 11.310 -2.720 1.00 0.00 C ATOM 1140 C GLU A 71 -9.549 12.045 -2.194 1.00 0.00 C ATOM 1141 O GLU A 71 -8.676 12.434 -2.969 1.00 0.00 O ATOM 1142 CB GLU A 71 -11.143 11.782 -4.130 1.00 0.00 C ATOM 1143 CG GLU A 71 -11.532 10.601 -5.021 1.00 0.00 C ATOM 1144 CD GLU A 71 -11.484 10.991 -6.500 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -12.414 11.709 -6.928 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -10.519 10.563 -7.169 1.00 0.00 O ATOM 0 H GLU A 71 -12.202 10.637 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.551 10.246 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.969 12.492 -4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.296 12.309 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.856 9.766 -4.839 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.535 10.261 -4.763 1.00 0.00 H new ATOM 1153 N ALA A 72 -9.515 12.214 -0.880 1.00 0.00 N ATOM 1154 CA ALA A 72 -8.402 12.896 -0.241 1.00 0.00 C ATOM 1155 C ALA A 72 -7.091 12.426 -0.874 1.00 0.00 C ATOM 1156 O ALA A 72 -6.737 11.251 -0.779 1.00 0.00 O ATOM 1157 CB ALA A 72 -8.446 12.642 1.267 1.00 0.00 C ATOM 0 H ALA A 72 -10.241 11.890 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.473 13.973 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.611 13.153 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.385 13.020 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.374 11.571 1.458 1.00 0.00 H new ATOM 1163 N PRO A 73 -6.387 13.392 -1.523 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.123 13.088 -2.171 1.00 0.00 C ATOM 1165 C PRO A 73 -4.005 12.918 -1.140 1.00 0.00 C ATOM 1166 O PRO A 73 -2.909 12.471 -1.476 1.00 0.00 O ATOM 1167 CB PRO A 73 -4.881 14.248 -3.124 1.00 0.00 C ATOM 1168 CG PRO A 73 -5.775 15.378 -2.640 1.00 0.00 C ATOM 1169 CD PRO A 73 -6.775 14.793 -1.657 1.00 0.00 C ATOM 0 HA PRO A 73 -5.144 12.142 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.833 14.548 -3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.125 13.969 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.181 16.157 -2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.292 15.842 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.735 15.308 -0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.796 14.888 -2.027 1.00 0.00 H new ATOM 1177 N THR A 74 -4.321 13.284 0.093 1.00 0.00 N ATOM 1178 CA THR A 74 -3.357 13.178 1.175 1.00 0.00 C ATOM 1179 C THR A 74 -3.540 11.857 1.925 1.00 0.00 C ATOM 1180 O THR A 74 -2.604 11.355 2.545 1.00 0.00 O ATOM 1181 CB THR A 74 -3.511 14.410 2.069 1.00 0.00 C ATOM 1182 OG1 THR A 74 -4.686 14.142 2.830 1.00 0.00 O ATOM 1183 CG2 THR A 74 -3.861 15.670 1.274 1.00 0.00 C ATOM 0 H THR A 74 -5.231 13.654 0.367 1.00 0.00 H new ATOM 0 HA THR A 74 -2.336 13.161 0.794 1.00 0.00 H new ATOM 0 HB THR A 74 -2.586 14.575 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.475 14.235 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.959 16.515 1.956 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.071 15.876 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.803 15.518 0.747 1.00 0.00 H new ATOM 1191 N VAL A 75 -4.753 11.330 1.843 1.00 0.00 N ATOM 1192 CA VAL A 75 -5.072 10.077 2.506 1.00 0.00 C ATOM 1193 C VAL A 75 -4.883 8.922 1.521 1.00 0.00 C ATOM 1194 O VAL A 75 -4.294 7.898 1.864 1.00 0.00 O ATOM 1195 CB VAL A 75 -6.484 10.139 3.092 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -7.000 8.738 3.428 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -6.528 11.049 4.321 1.00 0.00 C ATOM 0 H VAL A 75 -5.527 11.748 1.327 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.395 9.905 3.343 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.142 10.566 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.005 8.810 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.024 8.132 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.339 8.272 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.543 11.075 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.850 10.664 5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.222 12.057 4.039 1.00 0.00 H new ATOM 1207 N LYS A 76 -5.395 9.125 0.315 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.291 8.113 -0.722 1.00 0.00 C ATOM 1209 C LYS A 76 -3.816 7.889 -1.064 1.00 0.00 C ATOM 1210 O LYS A 76 -3.388 6.755 -1.270 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.152 8.492 -1.929 1.00 0.00 C ATOM 1212 CG LYS A 76 -6.850 7.262 -2.512 1.00 0.00 C ATOM 1213 CD LYS A 76 -7.845 7.662 -3.604 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.084 6.507 -4.578 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.528 6.368 -4.872 1.00 0.00 N ATOM 0 H LYS A 76 -5.883 9.975 0.034 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.684 7.161 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.897 9.230 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.529 8.957 -2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.107 6.579 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.371 6.725 -1.719 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.790 7.960 -3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.466 8.528 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.534 6.683 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.703 5.579 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.673 5.580 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.045 6.179 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.882 7.248 -5.298 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.080 8.990 -1.114 1.00 0.00 N ATOM 1230 CA ALA A 77 -1.663 8.929 -1.428 1.00 0.00 C ATOM 1231 C ALA A 77 -1.022 7.779 -0.648 1.00 0.00 C ATOM 1232 O ALA A 77 -0.558 6.805 -1.240 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.012 10.278 -1.117 1.00 0.00 C ATOM 0 H ALA A 77 -3.439 9.929 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.513 8.732 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.051 10.232 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.483 11.056 -1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.139 10.508 -0.059 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.016 7.929 0.668 1.00 0.00 N ATOM 1240 CA PHE A 78 -0.439 6.916 1.535 1.00 0.00 C ATOM 1241 C PHE A 78 -0.887 5.515 1.114 1.00 0.00 C ATOM 1242 O PHE A 78 -0.075 4.594 1.044 1.00 0.00 O ATOM 1243 CB PHE A 78 -0.947 7.196 2.951 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.007 6.710 4.056 1.00 0.00 C ATOM 1245 CD1 PHE A 78 1.294 7.104 4.065 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -0.474 5.884 5.031 1.00 0.00 C ATOM 1247 CE1 PHE A 78 2.166 6.653 5.091 1.00 0.00 C ATOM 1248 CE2 PHE A 78 0.398 5.433 6.057 1.00 0.00 C ATOM 1249 CZ PHE A 78 1.699 5.827 6.065 1.00 0.00 C ATOM 0 H PHE A 78 -1.402 8.738 1.155 1.00 0.00 H new ATOM 0 HA PHE A 78 0.649 6.954 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.101 8.269 3.065 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.919 6.719 3.079 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.665 7.760 3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.508 5.571 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.200 6.966 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.028 4.777 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.362 5.484 6.845 1.00 0.00 H new ATOM 1259 N ALA A 79 -2.179 5.398 0.844 1.00 0.00 N ATOM 1260 CA ALA A 79 -2.745 4.124 0.431 1.00 0.00 C ATOM 1261 C ALA A 79 -2.069 3.666 -0.862 1.00 0.00 C ATOM 1262 O ALA A 79 -1.662 2.511 -0.979 1.00 0.00 O ATOM 1263 CB ALA A 79 -4.261 4.265 0.279 1.00 0.00 C ATOM 0 H ALA A 79 -2.850 6.164 0.903 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.563 3.359 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.686 3.310 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.696 4.564 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.482 5.022 -0.474 1.00 0.00 H new ATOM 1269 N GLY A 80 -1.971 4.595 -1.802 1.00 0.00 N ATOM 1270 CA GLY A 80 -1.352 4.301 -3.083 1.00 0.00 C ATOM 1271 C GLY A 80 0.105 3.870 -2.902 1.00 0.00 C ATOM 1272 O GLY A 80 0.653 3.154 -3.739 1.00 0.00 O ATOM 0 H GLY A 80 -2.310 5.552 -1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.909 3.511 -3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.398 5.182 -3.724 1.00 0.00 H new ATOM 1276 N LEU A 81 0.691 4.324 -1.804 1.00 0.00 N ATOM 1277 CA LEU A 81 2.073 3.995 -1.502 1.00 0.00 C ATOM 1278 C LEU A 81 2.163 2.527 -1.079 1.00 0.00 C ATOM 1279 O LEU A 81 2.991 1.778 -1.596 1.00 0.00 O ATOM 1280 CB LEU A 81 2.642 4.968 -0.467 1.00 0.00 C ATOM 1281 CG LEU A 81 3.869 4.482 0.307 1.00 0.00 C ATOM 1282 CD1 LEU A 81 5.158 4.788 -0.459 1.00 0.00 C ATOM 1283 CD2 LEU A 81 3.892 5.065 1.721 1.00 0.00 C ATOM 0 H LEU A 81 0.233 4.918 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 81 2.694 4.111 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.902 5.897 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.856 5.206 0.250 1.00 0.00 H new ATOM 0 HG LEU A 81 3.802 3.399 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.015 4.432 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.134 4.286 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.245 5.864 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.774 4.704 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.923 6.153 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.995 4.754 2.257 1.00 0.00 H new ATOM 1295 N LEU A 82 1.299 2.160 -0.144 1.00 0.00 N ATOM 1296 CA LEU A 82 1.270 0.795 0.353 1.00 0.00 C ATOM 1297 C LEU A 82 1.025 -0.164 -0.814 1.00 0.00 C ATOM 1298 O LEU A 82 1.507 -1.296 -0.803 1.00 0.00 O ATOM 1299 CB LEU A 82 0.249 0.659 1.485 1.00 0.00 C ATOM 1300 CG LEU A 82 0.350 1.694 2.607 1.00 0.00 C ATOM 1301 CD1 LEU A 82 -1.012 1.925 3.264 1.00 0.00 C ATOM 1302 CD2 LEU A 82 1.417 1.294 3.628 1.00 0.00 C ATOM 0 H LEU A 82 0.614 2.784 0.282 1.00 0.00 H new ATOM 0 HA LEU A 82 2.233 0.528 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.751 0.715 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.352 -0.334 1.923 1.00 0.00 H new ATOM 0 HG LEU A 82 0.662 2.642 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.912 2.665 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.719 2.287 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.376 0.988 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.468 2.047 4.415 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.159 0.329 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.385 1.221 3.133 1.00 0.00 H new ATOM 1314 N ARG A 83 0.278 0.324 -1.792 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.036 -0.475 -2.964 1.00 0.00 C ATOM 1316 C ARG A 83 1.100 -0.389 -3.985 1.00 0.00 C ATOM 1317 O ARG A 83 1.135 -1.156 -4.946 1.00 0.00 O ATOM 1318 CB ARG A 83 -1.338 -0.006 -3.618 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.339 -0.312 -5.118 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.624 0.190 -5.779 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.421 0.331 -7.238 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.542 -0.677 -8.113 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.865 -1.904 -7.683 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -2.339 -0.457 -9.420 1.00 0.00 N ATOM 0 H ARG A 83 -0.119 1.263 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.158 -1.508 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.186 -0.498 -3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.462 1.066 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.476 0.158 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.241 -1.386 -5.274 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.440 -0.506 -5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.913 1.149 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.174 1.252 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.019 -2.072 -6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.957 -2.670 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.093 0.477 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.431 -1.224 -10.087 1.00 0.00 H new ATOM 1338 N GLU A 84 2.001 0.551 -3.742 1.00 0.00 N ATOM 1339 CA GLU A 84 3.136 0.747 -4.629 1.00 0.00 C ATOM 1340 C GLU A 84 4.370 0.029 -4.078 1.00 0.00 C ATOM 1341 O GLU A 84 5.435 0.057 -4.693 1.00 0.00 O ATOM 1342 CB GLU A 84 3.416 2.236 -4.839 1.00 0.00 C ATOM 1343 CG GLU A 84 3.013 2.676 -6.248 1.00 0.00 C ATOM 1344 CD GLU A 84 3.625 1.756 -7.306 1.00 0.00 C ATOM 1345 OE1 GLU A 84 4.864 1.814 -7.461 1.00 0.00 O ATOM 1346 OE2 GLU A 84 2.839 1.015 -7.936 1.00 0.00 O ATOM 0 H GLU A 84 1.969 1.185 -2.944 1.00 0.00 H new ATOM 0 HA GLU A 84 2.893 0.316 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.867 2.821 -4.101 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.476 2.436 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.927 2.668 -6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.340 3.702 -6.420 1.00 0.00 H new ATOM 1353 N GLY A 85 4.185 -0.599 -2.926 1.00 0.00 N ATOM 1354 CA GLY A 85 5.270 -1.323 -2.286 1.00 0.00 C ATOM 1355 C GLY A 85 4.827 -2.732 -1.886 1.00 0.00 C ATOM 1356 O GLY A 85 5.594 -3.686 -2.010 1.00 0.00 O ATOM 0 H GLY A 85 3.300 -0.621 -2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.121 -1.384 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.604 -0.778 -1.403 1.00 0.00 H new ATOM 1360 N LEU A 86 3.592 -2.818 -1.413 1.00 0.00 N ATOM 1361 CA LEU A 86 3.039 -4.095 -0.994 1.00 0.00 C ATOM 1362 C LEU A 86 2.282 -4.726 -2.165 1.00 0.00 C ATOM 1363 O LEU A 86 2.717 -5.736 -2.717 1.00 0.00 O ATOM 1364 CB LEU A 86 2.188 -3.922 0.266 1.00 0.00 C ATOM 1365 CG LEU A 86 2.902 -3.321 1.479 1.00 0.00 C ATOM 1366 CD1 LEU A 86 3.648 -4.400 2.266 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.825 -2.175 1.060 1.00 0.00 C ATOM 0 H LEU A 86 2.959 -2.025 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 86 3.837 -4.785 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.335 -3.289 0.021 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.791 -4.897 0.549 1.00 0.00 H new ATOM 0 HG LEU A 86 2.149 -2.900 2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.147 -3.946 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.940 -5.151 2.615 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.390 -4.872 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.320 -1.766 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.575 -2.548 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.238 -1.393 0.577 1.00 0.00 H new ATOM 1379 N GLU A 87 1.163 -4.106 -2.508 1.00 0.00 N ATOM 1380 CA GLU A 87 0.342 -4.595 -3.603 1.00 0.00 C ATOM 1381 C GLU A 87 0.985 -5.829 -4.238 1.00 0.00 C ATOM 1382 O GLU A 87 1.974 -5.716 -4.961 1.00 0.00 O ATOM 1383 CB GLU A 87 0.110 -3.500 -4.646 1.00 0.00 C ATOM 1384 CG GLU A 87 -0.942 -3.932 -5.670 1.00 0.00 C ATOM 1385 CD GLU A 87 -0.403 -3.802 -7.096 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -0.261 -2.644 -7.546 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -0.146 -4.863 -7.705 1.00 0.00 O ATOM 0 H GLU A 87 0.805 -3.269 -2.047 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.630 -4.881 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.213 -2.584 -4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.047 -3.273 -5.155 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.236 -4.964 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.837 -3.320 -5.558 1.00 0.00 H new ATOM 1394 N GLY A 88 0.397 -6.980 -3.946 1.00 0.00 N ATOM 1395 CA GLY A 88 0.900 -8.234 -4.480 1.00 0.00 C ATOM 1396 C GLY A 88 2.024 -8.792 -3.604 1.00 0.00 C ATOM 1397 O GLY A 88 2.680 -9.764 -3.974 1.00 0.00 O ATOM 0 H GLY A 88 -0.423 -7.070 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.088 -8.959 -4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.267 -8.080 -5.495 1.00 0.00 H new ATOM 1401 N GLU A 89 2.211 -8.152 -2.459 1.00 0.00 N ATOM 1402 CA GLU A 89 3.244 -8.571 -1.527 1.00 0.00 C ATOM 1403 C GLU A 89 2.686 -9.607 -0.548 1.00 0.00 C ATOM 1404 O GLU A 89 1.473 -9.791 -0.458 1.00 0.00 O ATOM 1405 CB GLU A 89 3.829 -7.371 -0.781 1.00 0.00 C ATOM 1406 CG GLU A 89 5.052 -6.814 -1.513 1.00 0.00 C ATOM 1407 CD GLU A 89 6.166 -7.860 -1.594 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.684 -8.222 -0.516 1.00 0.00 O ATOM 1409 OE2 GLU A 89 6.474 -8.273 -2.733 1.00 0.00 O ATOM 0 H GLU A 89 1.664 -7.346 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 89 4.052 -9.033 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.072 -6.593 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.109 -7.668 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.768 -6.502 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.418 -5.927 -0.995 1.00 0.00 H new ATOM 1416 N SER A 90 3.599 -10.256 0.160 1.00 0.00 N ATOM 1417 CA SER A 90 3.213 -11.268 1.129 1.00 0.00 C ATOM 1418 C SER A 90 2.744 -10.601 2.423 1.00 0.00 C ATOM 1419 O SER A 90 3.081 -9.449 2.690 1.00 0.00 O ATOM 1420 CB SER A 90 4.372 -12.226 1.415 1.00 0.00 C ATOM 1421 OG SER A 90 5.469 -11.565 2.040 1.00 0.00 O ATOM 0 H SER A 90 4.604 -10.101 0.082 1.00 0.00 H new ATOM 0 HA SER A 90 2.392 -11.849 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.023 -13.036 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.706 -12.680 0.482 1.00 0.00 H new ATOM 0 HG SER A 90 6.187 -12.210 2.208 1.00 0.00 H new ATOM 1427 N PRO A 91 1.953 -11.375 3.214 1.00 0.00 N ATOM 1428 CA PRO A 91 1.434 -10.871 4.474 1.00 0.00 C ATOM 1429 C PRO A 91 2.527 -10.837 5.543 1.00 0.00 C ATOM 1430 O PRO A 91 2.320 -10.304 6.632 1.00 0.00 O ATOM 1431 CB PRO A 91 0.287 -11.804 4.828 1.00 0.00 C ATOM 1432 CG PRO A 91 0.501 -13.061 4.000 1.00 0.00 C ATOM 1433 CD PRO A 91 1.533 -12.744 2.930 1.00 0.00 C ATOM 0 HA PRO A 91 1.085 -9.841 4.403 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.285 -12.034 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.675 -11.345 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.845 -13.880 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.436 -13.382 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.375 -13.434 2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.106 -12.828 1.931 1.00 0.00 H new ATOM 1441 N GLU A 92 3.669 -11.413 5.195 1.00 0.00 N ATOM 1442 CA GLU A 92 4.796 -11.455 6.111 1.00 0.00 C ATOM 1443 C GLU A 92 5.671 -10.212 5.934 1.00 0.00 C ATOM 1444 O GLU A 92 6.274 -9.731 6.892 1.00 0.00 O ATOM 1445 CB GLU A 92 5.613 -12.733 5.917 1.00 0.00 C ATOM 1446 CG GLU A 92 4.706 -13.965 5.893 1.00 0.00 C ATOM 1447 CD GLU A 92 5.003 -14.889 7.076 1.00 0.00 C ATOM 1448 OE1 GLU A 92 4.504 -14.577 8.178 1.00 0.00 O ATOM 1449 OE2 GLU A 92 5.723 -15.886 6.851 1.00 0.00 O ATOM 0 H GLU A 92 3.838 -11.854 4.291 1.00 0.00 H new ATOM 0 HA GLU A 92 4.410 -11.461 7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.174 -12.672 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.342 -12.829 6.722 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.662 -13.653 5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.849 -14.508 4.959 1.00 0.00 H new ATOM 1456 N ALA A 93 5.713 -9.728 4.701 1.00 0.00 N ATOM 1457 CA ALA A 93 6.504 -8.551 4.385 1.00 0.00 C ATOM 1458 C ALA A 93 5.681 -7.295 4.680 1.00 0.00 C ATOM 1459 O ALA A 93 6.230 -6.199 4.782 1.00 0.00 O ATOM 1460 CB ALA A 93 6.962 -8.620 2.927 1.00 0.00 C ATOM 0 H ALA A 93 5.212 -10.130 3.909 1.00 0.00 H new ATOM 0 HA ALA A 93 7.399 -8.512 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.555 -7.737 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.567 -9.514 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.091 -8.658 2.273 1.00 0.00 H new ATOM 1466 N VAL A 94 4.378 -7.496 4.807 1.00 0.00 N ATOM 1467 CA VAL A 94 3.474 -6.394 5.087 1.00 0.00 C ATOM 1468 C VAL A 94 3.379 -6.190 6.601 1.00 0.00 C ATOM 1469 O VAL A 94 3.490 -5.066 7.087 1.00 0.00 O ATOM 1470 CB VAL A 94 2.116 -6.651 4.432 1.00 0.00 C ATOM 1471 CG1 VAL A 94 2.279 -7.002 2.952 1.00 0.00 C ATOM 1472 CG2 VAL A 94 1.348 -7.746 5.174 1.00 0.00 C ATOM 0 H VAL A 94 3.926 -8.407 4.721 1.00 0.00 H new ATOM 0 HA VAL A 94 3.856 -5.468 4.657 1.00 0.00 H new ATOM 0 HB VAL A 94 1.534 -5.732 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.299 -7.180 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.766 -6.176 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.889 -7.900 2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.386 -7.909 4.688 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.925 -8.671 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.185 -7.440 6.207 1.00 0.00 H new ATOM 1482 N LEU A 95 3.175 -7.295 7.302 1.00 0.00 N ATOM 1483 CA LEU A 95 3.064 -7.252 8.751 1.00 0.00 C ATOM 1484 C LEU A 95 4.331 -6.627 9.337 1.00 0.00 C ATOM 1485 O LEU A 95 4.259 -5.816 10.258 1.00 0.00 O ATOM 1486 CB LEU A 95 2.751 -8.643 9.305 1.00 0.00 C ATOM 1487 CG LEU A 95 1.269 -8.964 9.513 1.00 0.00 C ATOM 1488 CD1 LEU A 95 1.002 -10.460 9.333 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.782 -8.454 10.870 1.00 0.00 C ATOM 0 H LEU A 95 3.084 -8.226 6.894 1.00 0.00 H new ATOM 0 HA LEU A 95 2.229 -6.619 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.172 -9.386 8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.264 -8.756 10.260 1.00 0.00 H new ATOM 0 HG LEU A 95 0.696 -8.440 8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.058 -10.661 9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.287 -10.762 8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.587 -11.024 10.059 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.274 -8.695 10.992 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.357 -8.929 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.916 -7.373 10.922 1.00 0.00 H new ATOM 1501 N GLU A 96 5.464 -7.029 8.778 1.00 0.00 N ATOM 1502 CA GLU A 96 6.745 -6.519 9.234 1.00 0.00 C ATOM 1503 C GLU A 96 6.774 -4.992 9.136 1.00 0.00 C ATOM 1504 O GLU A 96 7.319 -4.321 10.010 1.00 0.00 O ATOM 1505 CB GLU A 96 7.897 -7.141 8.442 1.00 0.00 C ATOM 1506 CG GLU A 96 7.680 -6.973 6.937 1.00 0.00 C ATOM 1507 CD GLU A 96 8.976 -7.230 6.165 1.00 0.00 C ATOM 1508 OE1 GLU A 96 9.831 -7.956 6.716 1.00 0.00 O ATOM 1509 OE2 GLU A 96 9.082 -6.694 5.040 1.00 0.00 O ATOM 0 H GLU A 96 5.520 -7.702 8.014 1.00 0.00 H new ATOM 0 HA GLU A 96 6.874 -6.799 10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.837 -6.672 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.980 -8.200 8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.907 -7.663 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.321 -5.965 6.728 1.00 0.00 H new ATOM 1516 N VAL A 97 6.181 -4.489 8.064 1.00 0.00 N ATOM 1517 CA VAL A 97 6.132 -3.054 7.840 1.00 0.00 C ATOM 1518 C VAL A 97 5.463 -2.378 9.038 1.00 0.00 C ATOM 1519 O VAL A 97 4.287 -2.613 9.311 1.00 0.00 O ATOM 1520 CB VAL A 97 5.428 -2.755 6.514 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.418 -1.253 6.225 1.00 0.00 C ATOM 1522 CG2 VAL A 97 6.073 -3.531 5.364 1.00 0.00 C ATOM 0 H VAL A 97 5.730 -5.049 7.341 1.00 0.00 H new ATOM 0 HA VAL A 97 7.139 -2.646 7.757 1.00 0.00 H new ATOM 0 HB VAL A 97 4.393 -3.086 6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.912 -1.068 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.892 -0.732 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.443 -0.887 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.554 -3.301 4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.121 -3.246 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.004 -4.600 5.563 1.00 0.00 H new ATOM 1532 N PRO A 98 6.261 -1.529 9.739 1.00 0.00 N ATOM 1533 CA PRO A 98 5.759 -0.817 10.901 1.00 0.00 C ATOM 1534 C PRO A 98 4.842 0.335 10.485 1.00 0.00 C ATOM 1535 O PRO A 98 4.728 0.645 9.300 1.00 0.00 O ATOM 1536 CB PRO A 98 7.000 -0.350 11.643 1.00 0.00 C ATOM 1537 CG PRO A 98 8.136 -0.411 10.635 1.00 0.00 C ATOM 1538 CD PRO A 98 7.659 -1.226 9.444 1.00 0.00 C ATOM 0 HA PRO A 98 5.140 -1.444 11.543 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.869 0.663 12.023 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.205 -0.989 12.502 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.422 0.593 10.321 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.019 -0.869 11.082 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.755 -0.664 8.515 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.246 -2.137 9.327 1.00 0.00 H new ATOM 1546 N PRO A 99 4.194 0.953 11.508 1.00 0.00 N ATOM 1547 CA PRO A 99 3.291 2.064 11.261 1.00 0.00 C ATOM 1548 C PRO A 99 4.069 3.341 10.935 1.00 0.00 C ATOM 1549 O PRO A 99 3.495 4.316 10.453 1.00 0.00 O ATOM 1550 CB PRO A 99 2.457 2.182 12.526 1.00 0.00 C ATOM 1551 CG PRO A 99 3.230 1.444 13.606 1.00 0.00 C ATOM 1552 CD PRO A 99 4.305 0.612 12.924 1.00 0.00 C ATOM 0 HA PRO A 99 2.652 1.902 10.393 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.306 3.227 12.798 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.469 1.744 12.385 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.679 2.150 14.304 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.562 0.805 14.184 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.295 0.849 13.312 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.145 -0.454 13.089 1.00 0.00 H new ATOM 1560 N GLY A 100 5.363 3.294 11.213 1.00 0.00 N ATOM 1561 CA GLY A 100 6.226 4.435 10.956 1.00 0.00 C ATOM 1562 C GLY A 100 7.256 4.111 9.872 1.00 0.00 C ATOM 1563 O GLY A 100 8.400 4.555 9.945 1.00 0.00 O ATOM 0 H GLY A 100 5.835 2.484 11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.623 5.289 10.646 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.738 4.723 11.874 1.00 0.00 H new ATOM 1567 N PHE A 101 6.812 3.338 8.891 1.00 0.00 N ATOM 1568 CA PHE A 101 7.681 2.949 7.794 1.00 0.00 C ATOM 1569 C PHE A 101 7.908 4.118 6.833 1.00 0.00 C ATOM 1570 O PHE A 101 8.764 4.046 5.952 1.00 0.00 O ATOM 1571 CB PHE A 101 6.976 1.818 7.044 1.00 0.00 C ATOM 1572 CG PHE A 101 5.794 2.279 6.189 1.00 0.00 C ATOM 1573 CD1 PHE A 101 4.569 2.446 6.756 1.00 0.00 C ATOM 1574 CD2 PHE A 101 5.968 2.523 4.863 1.00 0.00 C ATOM 1575 CE1 PHE A 101 3.472 2.875 5.963 1.00 0.00 C ATOM 1576 CE2 PHE A 101 4.871 2.952 4.070 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.646 3.119 4.637 1.00 0.00 C ATOM 0 H PHE A 101 5.862 2.971 8.834 1.00 0.00 H new ATOM 0 HA PHE A 101 8.651 2.638 8.181 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.700 1.315 6.403 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.623 1.082 7.766 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.431 2.252 7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.941 2.391 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.499 3.007 6.413 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.009 3.146 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.812 3.445 4.034 1.00 0.00 H new ATOM 1587 N TYR A 102 7.125 5.168 7.035 1.00 0.00 N ATOM 1588 CA TYR A 102 7.230 6.351 6.197 1.00 0.00 C ATOM 1589 C TYR A 102 8.152 7.394 6.833 1.00 0.00 C ATOM 1590 O TYR A 102 8.583 8.334 6.168 1.00 0.00 O ATOM 1591 CB TYR A 102 5.816 6.928 6.103 1.00 0.00 C ATOM 1592 CG TYR A 102 5.255 7.421 7.439 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.595 8.672 7.910 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.409 6.613 8.173 1.00 0.00 C ATOM 1595 CE1 TYR A 102 5.067 9.137 9.167 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.882 7.077 9.429 1.00 0.00 C ATOM 1597 CZ TYR A 102 4.237 8.316 9.865 1.00 0.00 C ATOM 1598 OH TYR A 102 3.738 8.754 11.052 1.00 0.00 O ATOM 0 H TYR A 102 6.416 5.224 7.766 1.00 0.00 H new ATOM 0 HA TYR A 102 7.643 6.094 5.221 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.819 7.756 5.394 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.149 6.166 5.700 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.257 9.303 7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.143 5.633 7.804 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.324 10.115 9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 102 3.219 6.455 10.013 1.00 0.00 H new ATOM 0 HH TYR A 102 2.765 8.641 11.059 1.00 0.00 H new ATOM 1608 N ARG A 103 8.427 7.191 8.113 1.00 0.00 N ATOM 1609 CA ARG A 103 9.290 8.102 8.846 1.00 0.00 C ATOM 1610 C ARG A 103 10.593 8.332 8.079 1.00 0.00 C ATOM 1611 O ARG A 103 11.177 7.391 7.543 1.00 0.00 O ATOM 1612 CB ARG A 103 9.615 7.553 10.237 1.00 0.00 C ATOM 1613 CG ARG A 103 8.359 7.490 11.109 1.00 0.00 C ATOM 1614 CD ARG A 103 8.619 8.096 12.490 1.00 0.00 C ATOM 1615 NE ARG A 103 7.633 9.164 12.767 1.00 0.00 N ATOM 1616 CZ ARG A 103 7.729 10.029 13.787 1.00 0.00 C ATOM 1617 NH1 ARG A 103 8.767 9.956 14.632 1.00 0.00 N ATOM 1618 NH2 ARG A 103 6.787 10.966 13.962 1.00 0.00 N ATOM 0 H ARG A 103 8.068 6.409 8.661 1.00 0.00 H new ATOM 0 HA ARG A 103 8.758 9.047 8.956 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.050 6.557 10.147 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.363 8.185 10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.545 8.026 10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.039 6.454 11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.553 7.322 13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.630 8.502 12.534 1.00 0.00 H new ATOM 0 HE ARG A 103 6.830 9.247 12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.484 9.243 14.499 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.840 10.614 15.408 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.997 11.021 13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.860 11.624 14.738 1.00 0.00 H new ATOM 1632 N GLY A 104 11.011 9.589 8.050 1.00 0.00 N ATOM 1633 CA GLY A 104 12.235 9.954 7.357 1.00 0.00 C ATOM 1634 C GLY A 104 12.138 9.629 5.865 1.00 0.00 C ATOM 1635 O GLY A 104 12.684 8.626 5.407 1.00 0.00 O ATOM 0 H GLY A 104 10.524 10.367 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.428 11.019 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.078 9.420 7.795 1.00 0.00 H new ATOM 1639 N TYR A 105 11.439 10.496 5.147 1.00 0.00 N ATOM 1640 CA TYR A 105 11.264 10.314 3.716 1.00 0.00 C ATOM 1641 C TYR A 105 10.614 11.545 3.082 1.00 0.00 C ATOM 1642 O TYR A 105 11.077 12.035 2.053 1.00 0.00 O ATOM 1643 CB TYR A 105 10.324 9.117 3.556 1.00 0.00 C ATOM 1644 CG TYR A 105 11.036 7.762 3.562 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.182 7.581 2.815 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.531 6.722 4.316 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.852 6.306 2.822 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.201 5.447 4.322 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.328 5.302 3.575 1.00 0.00 C ATOM 1650 OH TYR A 105 12.960 4.098 3.581 1.00 0.00 O ATOM 0 H TYR A 105 10.987 11.327 5.530 1.00 0.00 H new ATOM 0 HA TYR A 105 12.226 10.159 3.228 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.590 9.134 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.773 9.223 2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.576 8.395 2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.634 6.864 4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.750 6.151 2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.817 4.624 4.907 1.00 0.00 H new ATOM 0 HH TYR A 105 13.920 4.232 3.439 1.00 0.00 H new ATOM 1660 N GLY A 106 9.552 12.011 3.723 1.00 0.00 N ATOM 1661 CA GLY A 106 8.834 13.175 3.234 1.00 0.00 C ATOM 1662 C GLY A 106 7.387 13.176 3.732 1.00 0.00 C ATOM 1663 O GLY A 106 6.853 14.222 4.097 1.00 0.00 O ATOM 0 H GLY A 106 9.172 11.603 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.337 14.083 3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.847 13.184 2.144 1.00 0.00 H new ATOM 1667 N LEU A 107 6.793 11.991 3.729 1.00 0.00 N ATOM 1668 CA LEU A 107 5.419 11.842 4.175 1.00 0.00 C ATOM 1669 C LEU A 107 5.241 12.559 5.515 1.00 0.00 C ATOM 1670 O LEU A 107 4.357 13.402 5.660 1.00 0.00 O ATOM 1671 CB LEU A 107 5.025 10.364 4.212 1.00 0.00 C ATOM 1672 CG LEU A 107 5.612 9.486 3.106 1.00 0.00 C ATOM 1673 CD1 LEU A 107 5.778 10.277 1.807 1.00 0.00 C ATOM 1674 CD2 LEU A 107 6.925 8.842 3.556 1.00 0.00 C ATOM 0 H LEU A 107 7.239 11.126 3.425 1.00 0.00 H new ATOM 0 HA LEU A 107 4.736 12.313 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.327 9.952 5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.938 10.297 4.164 1.00 0.00 H new ATOM 0 HG LEU A 107 4.909 8.678 2.903 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.197 9.629 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.806 10.647 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.449 11.119 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.321 8.223 2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.646 9.621 3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.744 8.223 4.435 1.00 0.00 H new ATOM 1686 N GLU A 108 6.096 12.198 6.461 1.00 0.00 N ATOM 1687 CA GLU A 108 6.045 12.797 7.784 1.00 0.00 C ATOM 1688 C GLU A 108 5.959 14.321 7.674 1.00 0.00 C ATOM 1689 O GLU A 108 5.386 14.978 8.542 1.00 0.00 O ATOM 1690 CB GLU A 108 7.252 12.375 8.624 1.00 0.00 C ATOM 1691 CG GLU A 108 6.835 12.051 10.060 1.00 0.00 C ATOM 1692 CD GLU A 108 7.347 13.114 11.033 1.00 0.00 C ATOM 1693 OE1 GLU A 108 8.480 12.931 11.529 1.00 0.00 O ATOM 1694 OE2 GLU A 108 6.594 14.086 11.260 1.00 0.00 O ATOM 0 H GLU A 108 6.828 11.498 6.337 1.00 0.00 H new ATOM 0 HA GLU A 108 5.149 12.438 8.290 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.726 11.503 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.994 13.174 8.628 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.748 11.990 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 108 7.226 11.074 10.344 1.00 0.00 H new ATOM 1701 N GLU A 109 6.537 14.838 6.600 1.00 0.00 N ATOM 1702 CA GLU A 109 6.532 16.272 6.366 1.00 0.00 C ATOM 1703 C GLU A 109 5.279 16.679 5.589 1.00 0.00 C ATOM 1704 O GLU A 109 4.469 17.465 6.078 1.00 0.00 O ATOM 1705 CB GLU A 109 7.800 16.711 5.631 1.00 0.00 C ATOM 1706 CG GLU A 109 8.722 17.509 6.555 1.00 0.00 C ATOM 1707 CD GLU A 109 10.084 17.746 5.900 1.00 0.00 C ATOM 1708 OE1 GLU A 109 10.109 18.489 4.896 1.00 0.00 O ATOM 1709 OE2 GLU A 109 11.070 17.178 6.418 1.00 0.00 O ATOM 0 H GLU A 109 7.012 14.290 5.883 1.00 0.00 H new ATOM 0 HA GLU A 109 6.517 16.778 7.331 1.00 0.00 H new ATOM 0 HB2 GLU A 109 8.327 15.835 5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.532 17.318 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 109 8.260 18.466 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.855 16.972 7.494 1.00 0.00 H new ATOM 1716 N PHE A 110 5.159 16.127 4.391 1.00 0.00 N ATOM 1717 CA PHE A 110 4.018 16.423 3.541 1.00 0.00 C ATOM 1718 C PHE A 110 2.712 16.363 4.336 1.00 0.00 C ATOM 1719 O PHE A 110 2.032 17.375 4.498 1.00 0.00 O ATOM 1720 CB PHE A 110 3.985 15.353 2.448 1.00 0.00 C ATOM 1721 CG PHE A 110 4.215 15.898 1.037 1.00 0.00 C ATOM 1722 CD1 PHE A 110 3.174 16.412 0.328 1.00 0.00 C ATOM 1723 CD2 PHE A 110 5.460 15.868 0.491 1.00 0.00 C ATOM 1724 CE1 PHE A 110 3.388 16.918 -0.981 1.00 0.00 C ATOM 1725 CE2 PHE A 110 5.674 16.374 -0.818 1.00 0.00 C ATOM 1726 CZ PHE A 110 4.634 16.888 -1.527 1.00 0.00 C ATOM 0 H PHE A 110 5.833 15.476 3.988 1.00 0.00 H new ATOM 0 HA PHE A 110 4.114 17.426 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.745 14.603 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.020 14.847 2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.185 16.435 0.761 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.286 15.459 1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 110 2.562 17.327 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 110 6.663 16.351 -1.251 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.797 17.272 -2.523 1.00 0.00 H new ATOM 1736 N PHE A 111 2.401 15.166 4.813 1.00 0.00 N ATOM 1737 CA PHE A 111 1.189 14.961 5.587 1.00 0.00 C ATOM 1738 C PHE A 111 1.383 15.407 7.038 1.00 0.00 C ATOM 1739 O PHE A 111 2.436 15.173 7.627 1.00 0.00 O ATOM 1740 CB PHE A 111 0.891 13.460 5.563 1.00 0.00 C ATOM 1741 CG PHE A 111 1.055 12.815 4.185 1.00 0.00 C ATOM 1742 CD1 PHE A 111 0.093 12.981 3.238 1.00 0.00 C ATOM 1743 CD2 PHE A 111 2.162 12.076 3.907 1.00 0.00 C ATOM 1744 CE1 PHE A 111 0.244 12.383 1.959 1.00 0.00 C ATOM 1745 CE2 PHE A 111 2.314 11.478 2.628 1.00 0.00 C ATOM 1746 CZ PHE A 111 1.352 11.644 1.682 1.00 0.00 C ATOM 0 H PHE A 111 2.968 14.329 4.678 1.00 0.00 H new ATOM 0 HA PHE A 111 0.373 15.545 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.552 12.957 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.129 13.297 5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.786 13.568 3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.926 11.944 4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.520 12.515 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.194 10.892 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.467 11.189 0.709 1.00 0.00 H new ATOM 1756 N THR A 112 0.349 16.042 7.571 1.00 0.00 N ATOM 1757 CA THR A 112 0.393 16.523 8.941 1.00 0.00 C ATOM 1758 C THR A 112 0.542 15.351 9.913 1.00 0.00 C ATOM 1759 O THR A 112 0.261 14.207 9.560 1.00 0.00 O ATOM 1760 CB THR A 112 -0.863 17.361 9.188 1.00 0.00 C ATOM 1761 OG1 THR A 112 -1.918 16.404 9.221 1.00 0.00 O ATOM 1762 CG2 THR A 112 -1.211 18.259 7.999 1.00 0.00 C ATOM 0 H THR A 112 -0.523 16.234 7.079 1.00 0.00 H new ATOM 0 HA THR A 112 1.263 17.157 9.110 1.00 0.00 H new ATOM 0 HB THR A 112 -0.720 17.975 10.077 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.770 16.862 9.379 1.00 0.00 H new ATOM 0 HG21 THR A 112 -2.110 18.832 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.384 18.943 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.387 17.643 7.117 1.00 0.00 H new ATOM 1770 N PRO A 113 0.996 15.686 11.151 1.00 0.00 N ATOM 1771 CA PRO A 113 1.186 14.674 12.177 1.00 0.00 C ATOM 1772 C PRO A 113 -0.156 14.220 12.754 1.00 0.00 C ATOM 1773 O PRO A 113 -0.217 13.240 13.495 1.00 0.00 O ATOM 1774 CB PRO A 113 2.088 15.328 13.212 1.00 0.00 C ATOM 1775 CG PRO A 113 1.990 16.825 12.963 1.00 0.00 C ATOM 1776 CD PRO A 113 1.340 17.030 11.605 1.00 0.00 C ATOM 0 HA PRO A 113 1.642 13.763 11.790 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.767 15.078 14.223 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.116 14.981 13.109 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.400 17.304 13.745 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.980 17.281 12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 113 0.454 17.661 11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 113 2.022 17.520 10.910 1.00 0.00 H new ATOM 1784 N LEU A 114 -1.198 14.955 12.394 1.00 0.00 N ATOM 1785 CA LEU A 114 -2.535 14.640 12.867 1.00 0.00 C ATOM 1786 C LEU A 114 -3.158 13.582 11.954 1.00 0.00 C ATOM 1787 O LEU A 114 -3.617 12.542 12.426 1.00 0.00 O ATOM 1788 CB LEU A 114 -3.373 15.914 12.993 1.00 0.00 C ATOM 1789 CG LEU A 114 -4.225 16.034 14.258 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -5.200 14.860 14.376 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -3.344 16.175 15.501 1.00 0.00 C ATOM 0 H LEU A 114 -1.143 15.768 11.780 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.494 14.213 13.869 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.702 16.772 12.948 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -4.032 15.979 12.127 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.823 16.942 14.182 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.793 14.970 15.284 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.861 14.848 13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.641 13.925 14.419 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.974 16.259 16.386 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -2.703 15.299 15.594 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.726 17.069 15.410 1.00 0.00 H new ATOM 1803 N ARG A 115 -3.154 13.883 10.664 1.00 0.00 N ATOM 1804 CA ARG A 115 -3.714 12.971 9.681 1.00 0.00 C ATOM 1805 C ARG A 115 -2.859 11.705 9.585 1.00 0.00 C ATOM 1806 O ARG A 115 -3.361 10.638 9.232 1.00 0.00 O ATOM 1807 CB ARG A 115 -3.795 13.629 8.302 1.00 0.00 C ATOM 1808 CG ARG A 115 -5.173 13.415 7.672 1.00 0.00 C ATOM 1809 CD ARG A 115 -5.299 14.183 6.355 1.00 0.00 C ATOM 1810 NE ARG A 115 -5.190 15.638 6.605 1.00 0.00 N ATOM 1811 CZ ARG A 115 -5.376 16.577 5.668 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -5.681 16.221 4.413 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -5.257 17.874 5.986 1.00 0.00 N ATOM 0 H ARG A 115 -2.772 14.746 10.276 1.00 0.00 H new ATOM 0 HA ARG A 115 -4.721 12.710 10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.594 14.697 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -3.025 13.214 7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.334 12.352 7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -5.948 13.743 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.519 13.865 5.663 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -6.255 13.957 5.883 1.00 0.00 H new ATOM 0 HE ARG A 115 -4.959 15.945 7.550 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.772 15.234 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.823 16.937 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.025 18.146 6.941 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -5.399 18.589 5.273 1.00 0.00 H new ATOM 1827 N LEU A 116 -1.584 11.865 9.905 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.655 10.748 9.859 1.00 0.00 C ATOM 1829 C LEU A 116 -1.116 9.667 10.839 1.00 0.00 C ATOM 1830 O LEU A 116 -1.179 8.490 10.485 1.00 0.00 O ATOM 1831 CB LEU A 116 0.776 11.231 10.104 1.00 0.00 C ATOM 1832 CG LEU A 116 1.639 11.431 8.857 1.00 0.00 C ATOM 1833 CD1 LEU A 116 2.873 12.278 9.175 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.013 10.088 8.227 1.00 0.00 C ATOM 0 H LEU A 116 -1.172 12.751 10.197 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.649 10.298 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.732 12.176 10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.274 10.513 10.755 1.00 0.00 H new ATOM 0 HG LEU A 116 1.052 11.980 8.120 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.470 12.405 8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.559 13.255 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.471 11.778 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.626 10.259 7.342 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.573 9.492 8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.106 9.555 7.942 1.00 0.00 H new ATOM 1846 N ARG A 117 -1.425 10.104 12.050 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.879 9.188 13.083 1.00 0.00 C ATOM 1848 C ARG A 117 -2.810 8.132 12.485 1.00 0.00 C ATOM 1849 O ARG A 117 -2.666 6.943 12.763 1.00 0.00 O ATOM 1850 CB ARG A 117 -2.614 9.935 14.198 1.00 0.00 C ATOM 1851 CG ARG A 117 -1.632 10.704 15.083 1.00 0.00 C ATOM 1852 CD ARG A 117 -2.060 10.652 16.551 1.00 0.00 C ATOM 1853 NE ARG A 117 -0.908 10.963 17.426 1.00 0.00 N ATOM 1854 CZ ARG A 117 -1.005 11.196 18.742 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -2.202 11.155 19.343 1.00 0.00 N ATOM 1856 NH2 ARG A 117 0.095 11.470 19.457 1.00 0.00 N ATOM 0 H ARG A 117 -1.370 11.080 12.340 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.999 8.703 13.506 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -3.335 10.627 13.763 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -3.178 9.227 14.805 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.633 10.281 14.977 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.576 11.741 14.753 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.865 11.365 16.729 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.452 9.663 16.789 1.00 0.00 H new ATOM 0 HE ARG A 117 0.018 11.003 17.001 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.039 10.946 18.799 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -2.276 11.332 20.345 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.006 11.501 18.999 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.021 11.647 20.459 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.746 8.606 11.675 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.702 7.717 11.036 1.00 0.00 C ATOM 1872 C GLY A 118 -4.018 6.843 9.982 1.00 0.00 C ATOM 1873 O GLY A 118 -4.086 5.617 10.048 1.00 0.00 O ATOM 0 H GLY A 118 -3.863 9.593 11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.174 7.084 11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.494 8.303 10.570 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.373 7.509 9.035 1.00 0.00 N ATOM 1878 CA LEU A 119 -2.677 6.809 7.969 1.00 0.00 C ATOM 1879 C LEU A 119 -1.974 5.579 8.547 1.00 0.00 C ATOM 1880 O LEU A 119 -1.889 4.542 7.891 1.00 0.00 O ATOM 1881 CB LEU A 119 -1.739 7.761 7.226 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.315 8.431 5.977 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -3.799 8.752 6.162 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -1.503 9.671 5.596 1.00 0.00 C ATOM 0 H LEU A 119 -3.318 8.526 8.984 1.00 0.00 H new ATOM 0 HA LEU A 119 -3.386 6.450 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.422 8.541 7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.845 7.207 6.938 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.239 7.729 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -4.184 9.228 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -4.350 7.830 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.922 9.427 7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -1.934 10.128 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.525 10.387 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.472 9.382 5.393 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.488 5.735 9.770 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.795 4.650 10.444 1.00 0.00 C ATOM 1898 C GLU A 120 -1.778 3.533 10.801 1.00 0.00 C ATOM 1899 O GLU A 120 -1.559 2.374 10.453 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.063 5.156 11.689 1.00 0.00 C ATOM 1901 CG GLU A 120 1.039 6.147 11.312 1.00 0.00 C ATOM 1902 CD GLU A 120 0.979 7.396 12.194 1.00 0.00 C ATOM 1903 OE1 GLU A 120 0.685 7.226 13.397 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.229 8.491 11.646 1.00 0.00 O ATOM 0 H GLU A 120 -1.560 6.596 10.312 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.047 4.244 9.763 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.773 5.635 12.363 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.370 4.313 12.228 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.013 5.670 11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.934 6.432 10.265 1.00 0.00 H new ATOM 1911 N ALA A 121 -2.840 3.922 11.491 1.00 0.00 N ATOM 1912 CA ALA A 121 -3.857 2.968 11.900 1.00 0.00 C ATOM 1913 C ALA A 121 -4.146 2.010 10.742 1.00 0.00 C ATOM 1914 O ALA A 121 -4.250 0.801 10.942 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.107 3.720 12.361 1.00 0.00 C ATOM 0 H ALA A 121 -3.018 4.885 11.777 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.507 2.371 12.742 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.870 3.004 12.668 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.854 4.364 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.489 4.328 11.541 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.269 2.587 9.555 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.544 1.801 8.365 1.00 0.00 C ATOM 1923 C ALA A 122 -3.715 0.515 8.406 1.00 0.00 C ATOM 1924 O ALA A 122 -4.266 -0.580 8.500 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.256 2.641 7.120 1.00 0.00 C ATOM 0 H ALA A 122 -4.183 3.590 9.393 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.595 1.515 8.328 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.462 2.051 6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -4.891 3.527 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.209 2.945 7.120 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.404 0.692 8.333 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.494 -0.440 8.360 1.00 0.00 C ATOM 1933 C LEU A 123 -1.863 -1.358 9.528 1.00 0.00 C ATOM 1934 O LEU A 123 -2.140 -2.540 9.329 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.042 0.041 8.391 1.00 0.00 C ATOM 1936 CG LEU A 123 1.028 -1.048 8.279 1.00 0.00 C ATOM 1937 CD1 LEU A 123 0.905 -1.802 6.953 1.00 0.00 C ATOM 1938 CD2 LEU A 123 2.428 -0.464 8.477 1.00 0.00 C ATOM 0 H LEU A 123 -1.950 1.602 8.255 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.591 -1.029 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.103 0.750 7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 123 0.119 0.587 9.321 1.00 0.00 H new ATOM 0 HG LEU A 123 0.865 -1.771 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.676 -2.570 6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.078 -2.270 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.028 -1.104 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 123 3.169 -1.259 8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 123 2.618 0.292 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.496 -0.008 9.465 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.854 -0.779 10.719 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.184 -1.530 11.919 1.00 0.00 C ATOM 1952 C LEU A 124 -3.438 -2.368 11.661 1.00 0.00 C ATOM 1953 O LEU A 124 -3.394 -3.595 11.728 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.307 -0.592 13.121 1.00 0.00 C ATOM 1955 CG LEU A 124 -1.053 0.208 13.479 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.417 1.613 13.961 1.00 0.00 C ATOM 1957 CD2 LEU A 124 -0.196 -0.544 14.500 1.00 0.00 C ATOM 0 H LEU A 124 -1.623 0.202 10.879 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.381 -2.224 12.167 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.118 0.110 12.928 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.597 -1.183 13.990 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.453 0.323 12.577 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.507 2.160 14.209 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.954 2.140 13.173 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.050 1.542 14.846 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.689 0.046 14.737 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.775 -0.711 15.408 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.109 -1.504 14.083 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.527 -1.671 11.373 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.792 -2.335 11.105 1.00 0.00 C ATOM 1971 C ARG A 125 -5.605 -3.427 10.050 1.00 0.00 C ATOM 1972 O ARG A 125 -5.875 -4.599 10.309 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.845 -1.339 10.617 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.547 -0.661 11.795 1.00 0.00 C ATOM 1975 CD ARG A 125 -7.747 0.832 11.530 1.00 0.00 C ATOM 1976 NE ARG A 125 -9.143 1.218 11.834 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.610 1.433 13.072 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -8.796 1.300 14.128 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -10.891 1.780 13.253 1.00 0.00 N ATOM 0 H ARG A 125 -4.560 -0.653 11.319 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.136 -2.781 12.038 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.373 -0.585 9.988 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.580 -1.855 9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -8.513 -1.135 11.969 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.957 -0.797 12.701 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.059 1.414 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -7.517 1.059 10.489 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.790 1.327 11.053 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -7.821 1.035 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -9.152 1.464 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -11.511 1.881 12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -11.247 1.944 14.195 1.00 0.00 H new ATOM 1993 N LEU A 126 -5.143 -3.004 8.882 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.917 -3.931 7.786 1.00 0.00 C ATOM 1995 C LEU A 126 -4.154 -5.152 8.306 1.00 0.00 C ATOM 1996 O LEU A 126 -4.524 -6.289 8.017 1.00 0.00 O ATOM 1997 CB LEU A 126 -4.223 -3.224 6.620 1.00 0.00 C ATOM 1998 CG LEU A 126 -5.000 -2.073 5.977 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -4.051 -0.981 5.480 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.916 -2.585 4.863 1.00 0.00 C ATOM 0 H LEU A 126 -4.919 -2.032 8.671 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.867 -4.292 7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.266 -2.839 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.005 -3.964 5.850 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.638 -1.624 6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.629 -0.175 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.476 -0.589 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.371 -1.400 4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.457 -1.747 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.317 -3.074 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.628 -3.299 5.277 1.00 0.00 H new ATOM 2012 N GLN A 127 -3.104 -4.874 9.065 1.00 0.00 N ATOM 2013 CA GLN A 127 -2.286 -5.935 9.628 1.00 0.00 C ATOM 2014 C GLN A 127 -3.106 -6.773 10.611 1.00 0.00 C ATOM 2015 O GLN A 127 -2.808 -7.946 10.832 1.00 0.00 O ATOM 2016 CB GLN A 127 -1.037 -5.365 10.302 1.00 0.00 C ATOM 2017 CG GLN A 127 0.060 -5.081 9.274 1.00 0.00 C ATOM 2018 CD GLN A 127 1.340 -4.594 9.957 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.435 -4.516 11.171 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.315 -4.272 9.112 1.00 0.00 N ATOM 0 H GLN A 127 -2.801 -3.930 9.303 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.957 -6.583 8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.292 -4.446 10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.668 -6.070 11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.270 -5.985 8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.287 -4.329 8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.169 -4.361 8.107 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.209 -3.936 9.469 1.00 0.00 H new ATOM 2029 N ALA A 128 -4.123 -6.138 11.175 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.988 -6.810 12.129 1.00 0.00 C ATOM 2031 C ALA A 128 -5.957 -7.724 11.377 1.00 0.00 C ATOM 2032 O ALA A 128 -6.537 -8.637 11.963 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.714 -5.767 12.983 1.00 0.00 C ATOM 0 H ALA A 128 -4.367 -5.165 10.989 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.403 -7.434 12.804 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.363 -6.271 13.699 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.982 -5.163 13.519 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -6.314 -5.124 12.339 1.00 0.00 H new ATOM 2039 N GLN A 129 -6.103 -7.447 10.090 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.992 -8.233 9.251 1.00 0.00 C ATOM 2041 C GLN A 129 -6.235 -9.411 8.633 1.00 0.00 C ATOM 2042 O GLN A 129 -6.835 -10.431 8.296 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.635 -7.365 8.168 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.653 -6.397 8.773 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.786 -6.105 7.787 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -10.600 -6.955 7.468 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.792 -4.858 7.324 1.00 0.00 N ATOM 0 H GLN A 129 -5.621 -6.689 9.607 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.793 -8.629 9.875 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.863 -6.804 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -8.126 -8.001 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -9.064 -6.822 9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -8.156 -5.466 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.080 -4.196 7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.508 -4.564 6.660 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.929 -9.230 8.502 1.00 0.00 N ATOM 2057 CA VAL A 130 -4.084 -10.264 7.930 1.00 0.00 C ATOM 2058 C VAL A 130 -3.848 -11.358 8.973 1.00 0.00 C ATOM 2059 O VAL A 130 -3.972 -12.545 8.673 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.786 -9.649 7.405 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.896 -10.713 6.760 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -3.076 -8.510 6.425 1.00 0.00 C ATOM 0 H VAL A 130 -4.435 -8.382 8.782 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.576 -10.729 7.076 1.00 0.00 H new ATOM 0 HB VAL A 130 -2.246 -9.231 8.255 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.980 -10.249 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.647 -11.476 7.498 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -2.426 -11.174 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -2.136 -8.090 6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.647 -8.894 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.651 -7.734 6.929 1.00 0.00 H new ATOM 2072 N ARG A 131 -3.512 -10.920 10.178 1.00 0.00 N ATOM 2073 CA ARG A 131 -3.257 -11.847 11.267 1.00 0.00 C ATOM 2074 C ARG A 131 -4.376 -12.888 11.351 1.00 0.00 C ATOM 2075 O ARG A 131 -4.161 -13.997 11.838 1.00 0.00 O ATOM 2076 CB ARG A 131 -3.153 -11.111 12.604 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.710 -10.689 12.887 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.656 -9.620 13.980 1.00 0.00 C ATOM 2079 NE ARG A 131 -1.689 -10.259 15.315 1.00 0.00 N ATOM 2080 CZ ARG A 131 -0.674 -10.961 15.837 1.00 0.00 C ATOM 2081 NH1 ARG A 131 0.460 -11.118 15.140 1.00 0.00 N ATOM 2082 NH2 ARG A 131 -0.792 -11.505 17.056 1.00 0.00 N ATOM 0 H ARG A 131 -3.411 -9.935 10.424 1.00 0.00 H new ATOM 0 HA ARG A 131 -2.308 -12.344 11.064 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.797 -10.231 12.590 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -3.511 -11.755 13.407 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -1.127 -11.557 13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -1.254 -10.305 11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -0.748 -9.026 13.874 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -2.499 -8.937 13.874 1.00 0.00 H new ATOM 0 HE ARG A 131 -2.537 -10.159 15.872 1.00 0.00 H new ATOM 0 HH11 ARG A 131 0.550 -10.703 14.213 1.00 0.00 H new ATOM 0 HH12 ARG A 131 1.233 -11.652 15.537 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -1.655 -11.385 17.587 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -0.019 -12.039 17.453 1.00 0.00 H new ATOM 2096 N LYS A 132 -5.545 -12.493 10.870 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.698 -13.378 10.884 1.00 0.00 C ATOM 2098 C LYS A 132 -6.569 -14.395 9.749 1.00 0.00 C ATOM 2099 O LYS A 132 -6.923 -15.561 9.912 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.995 -12.568 10.840 1.00 0.00 C ATOM 2101 CG LYS A 132 -7.869 -11.285 11.665 1.00 0.00 C ATOM 2102 CD LYS A 132 -7.347 -11.586 13.071 1.00 0.00 C ATOM 2103 CE LYS A 132 -8.221 -12.630 13.769 1.00 0.00 C ATOM 2104 NZ LYS A 132 -7.942 -12.653 15.222 1.00 0.00 N ATOM 0 H LYS A 132 -5.719 -11.572 10.468 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.733 -13.943 11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -8.237 -12.318 9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -8.818 -13.171 11.223 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -7.194 -10.591 11.164 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -8.840 -10.794 11.731 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -6.320 -11.947 13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.329 -10.669 13.660 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -9.274 -12.404 13.599 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -8.033 -13.615 13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -8.544 -13.367 15.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -6.942 -12.891 15.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -8.144 -11.718 15.629 1.00 0.00 H new ATOM 2118 N ALA A 133 -6.061 -13.915 8.623 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.881 -14.768 7.460 1.00 0.00 C ATOM 2120 C ALA A 133 -4.827 -15.833 7.772 1.00 0.00 C ATOM 2121 O ALA A 133 -4.940 -16.973 7.323 1.00 0.00 O ATOM 2122 CB ALA A 133 -5.503 -13.911 6.251 1.00 0.00 C ATOM 0 H ALA A 133 -5.768 -12.947 8.491 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.809 -15.284 7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.368 -14.551 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -6.297 -13.191 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.574 -13.379 6.458 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.828 -15.423 8.539 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.755 -16.328 8.916 1.00 0.00 C ATOM 2130 C LEU A 134 -3.353 -17.582 9.556 1.00 0.00 C ATOM 2131 O LEU A 134 -2.907 -18.696 9.282 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.736 -15.610 9.804 1.00 0.00 C ATOM 2133 CG LEU A 134 -1.236 -14.257 9.293 1.00 0.00 C ATOM 2134 CD1 LEU A 134 -0.024 -13.782 10.097 1.00 0.00 C ATOM 2135 CD2 LEU A 134 -0.944 -14.312 7.793 1.00 0.00 C ATOM 0 H LEU A 134 -3.739 -14.477 8.910 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.202 -16.652 8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -2.181 -15.462 10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.876 -16.266 9.939 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.027 -13.522 9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 134 0.312 -12.818 9.714 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.301 -13.679 11.146 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.782 -14.510 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -0.590 -13.338 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.179 -15.063 7.599 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -1.855 -14.574 7.254 1.00 0.00 H new ATOM 2147 N THR A 135 -4.352 -17.360 10.397 1.00 0.00 N ATOM 2148 CA THR A 135 -5.016 -18.459 11.078 1.00 0.00 C ATOM 2149 C THR A 135 -6.122 -19.042 10.197 1.00 0.00 C ATOM 2150 O THR A 135 -6.939 -19.835 10.663 1.00 0.00 O ATOM 2151 CB THR A 135 -5.521 -17.943 12.427 1.00 0.00 C ATOM 2152 OG1 THR A 135 -6.026 -19.106 13.076 1.00 0.00 O ATOM 2153 CG2 THR A 135 -6.745 -17.035 12.285 1.00 0.00 C ATOM 0 H THR A 135 -4.718 -16.435 10.623 1.00 0.00 H new ATOM 0 HA THR A 135 -4.327 -19.282 11.266 1.00 0.00 H new ATOM 0 HB THR A 135 -4.722 -17.399 12.930 1.00 0.00 H new ATOM 0 HG1 THR A 135 -6.467 -19.683 12.418 1.00 0.00 H new ATOM 0 HG21 THR A 135 -7.063 -16.696 13.271 1.00 0.00 H new ATOM 0 HG22 THR A 135 -6.489 -16.172 11.670 1.00 0.00 H new ATOM 0 HG23 THR A 135 -7.556 -17.589 11.813 1.00 0.00 H new ATOM 2161 N SER A 136 -6.113 -18.628 8.938 1.00 0.00 N ATOM 2162 CA SER A 136 -7.105 -19.100 7.988 1.00 0.00 C ATOM 2163 C SER A 136 -6.414 -19.655 6.742 1.00 0.00 C ATOM 2164 O SER A 136 -6.984 -20.477 6.025 1.00 0.00 O ATOM 2165 CB SER A 136 -8.074 -17.980 7.602 1.00 0.00 C ATOM 2166 OG SER A 136 -9.396 -18.234 8.069 1.00 0.00 O ATOM 0 H SER A 136 -5.434 -17.971 8.554 1.00 0.00 H new ATOM 0 HA SER A 136 -7.680 -19.896 8.462 1.00 0.00 H new ATOM 0 HB2 SER A 136 -7.719 -17.035 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 136 -8.087 -17.870 6.518 1.00 0.00 H new ATOM 0 HG SER A 136 -9.984 -17.496 7.804 1.00 0.00 H new TER 2172 SER A 136