USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0.00467 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot -160:sc= -1.27 USER MOD Set 2.2: A 85 MET CE :methyl -124:sc= -1.99 (180deg=-0.798) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.239 K(o=-3.5,f=-8.8!) USER MOD Set 3.2: A 26 LYS NZ :NH3+ 166:sc= -3.28! (180deg=-3.1!) USER MOD Single : A 4 LYS NZ :NH3+ -111:sc= 0.0277 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -102:sc= -2.47 (180deg=-3.34) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.047) USER MOD Single : A 44 ASN : amide:sc=-0.00755! K(o=-0.0075!,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.0405 (180deg=-1.06) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot -60:sc= -3.74! USER MOD Single : A 59 ASN : amide:sc= -3.11 K(o=-3.1,f=-7.5!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -1.41! C(o=-5!,f=-1.4!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 81:sc= 0.284 USER MOD Single : A 78 MET CE :methyl -166:sc= -0.0128 (180deg=-0.118) USER MOD Single : A 79 SER OG : rot 160:sc= -0.395 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0864 USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.0181 (180deg=-0.204) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc=-0.00188 X(o=-0.0019,f=-0.36) USER MOD Single : A 100 GLN : amide:sc= -1 K(o=-1,f=-4.2!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -3.86! USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.135) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.087 0.172 9.377 1.00 0.00 N ATOM 2 CA ALA A 2 -12.661 0.593 9.468 1.00 0.00 C ATOM 3 C ALA A 2 -12.513 2.017 8.931 1.00 0.00 C ATOM 4 O ALA A 2 -11.679 2.285 8.090 1.00 0.00 O ATOM 5 CB ALA A 2 -11.795 -0.352 8.632 1.00 0.00 C ATOM 0 HA ALA A 2 -12.341 0.559 10.509 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.752 -0.044 8.699 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.898 -1.369 9.010 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.118 -0.317 7.592 1.00 0.00 H new ATOM 11 N ASP A 3 -13.314 2.933 9.404 1.00 0.00 N ATOM 12 CA ASP A 3 -13.210 4.333 8.906 1.00 0.00 C ATOM 13 C ASP A 3 -13.261 4.318 7.379 1.00 0.00 C ATOM 14 O ASP A 3 -12.265 4.120 6.728 1.00 0.00 O ATOM 15 CB ASP A 3 -11.878 4.939 9.360 1.00 0.00 C ATOM 16 CG ASP A 3 -12.130 5.939 10.490 1.00 0.00 C ATOM 17 OD1 ASP A 3 -12.628 5.523 11.523 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.823 7.104 10.302 1.00 0.00 O ATOM 0 H ASP A 3 -14.032 2.773 10.110 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.033 4.928 9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.206 4.152 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.389 5.436 8.523 1.00 0.00 H new ATOM 23 N LYS A 4 -14.414 4.520 6.800 1.00 0.00 N ATOM 24 CA LYS A 4 -14.510 4.503 5.314 1.00 0.00 C ATOM 25 C LYS A 4 -13.964 5.813 4.752 1.00 0.00 C ATOM 26 O LYS A 4 -14.562 6.442 3.903 1.00 0.00 O ATOM 27 CB LYS A 4 -15.968 4.318 4.886 1.00 0.00 C ATOM 28 CG LYS A 4 -16.864 5.334 5.599 1.00 0.00 C ATOM 29 CD LYS A 4 -18.127 5.565 4.767 1.00 0.00 C ATOM 30 CE LYS A 4 -17.893 6.715 3.785 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.208 8.010 4.452 1.00 0.00 N ATOM 0 H LYS A 4 -15.291 4.695 7.291 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.921 3.672 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.056 4.440 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.297 3.306 5.120 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -17.130 4.969 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.329 6.274 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.387 4.657 4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.968 5.797 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.858 6.712 3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.519 6.587 2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.066 8.418 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.365 7.848 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.413 8.668 4.325 1.00 0.00 H new ATOM 45 N GLU A 5 -12.822 6.222 5.221 1.00 0.00 N ATOM 46 CA GLU A 5 -12.208 7.479 4.726 1.00 0.00 C ATOM 47 C GLU A 5 -10.724 7.441 5.065 1.00 0.00 C ATOM 48 O GLU A 5 -10.085 8.461 5.238 1.00 0.00 O ATOM 49 CB GLU A 5 -12.867 8.681 5.411 1.00 0.00 C ATOM 50 CG GLU A 5 -13.196 9.754 4.371 1.00 0.00 C ATOM 51 CD GLU A 5 -14.423 9.325 3.563 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.272 8.480 2.697 1.00 0.00 O ATOM 53 OE2 GLU A 5 -15.493 9.850 3.825 1.00 0.00 O ATOM 0 H GLU A 5 -12.282 5.732 5.935 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.348 7.573 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.777 8.366 5.922 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.200 9.090 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.388 10.707 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.345 9.905 3.707 1.00 0.00 H new ATOM 60 N LEU A 6 -10.169 6.263 5.169 1.00 0.00 N ATOM 61 CA LEU A 6 -8.728 6.150 5.502 1.00 0.00 C ATOM 62 C LEU A 6 -7.915 6.646 4.301 1.00 0.00 C ATOM 63 O LEU A 6 -8.309 6.469 3.167 1.00 0.00 O ATOM 64 CB LEU A 6 -8.423 4.686 5.845 1.00 0.00 C ATOM 65 CG LEU A 6 -6.965 4.503 6.288 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.672 5.366 7.505 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.751 3.044 6.670 1.00 0.00 C ATOM 0 H LEU A 6 -10.655 5.376 5.037 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.461 6.760 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.090 4.351 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.622 4.059 4.976 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.304 4.793 5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.634 5.227 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.840 6.414 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.332 5.077 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.718 2.899 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.422 2.780 7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.959 2.408 5.809 1.00 0.00 H new ATOM 79 N LYS A 7 -6.816 7.312 4.538 1.00 0.00 N ATOM 80 CA LYS A 7 -6.014 7.867 3.402 1.00 0.00 C ATOM 81 C LYS A 7 -5.097 6.803 2.789 1.00 0.00 C ATOM 82 O LYS A 7 -4.325 6.161 3.480 1.00 0.00 O ATOM 83 CB LYS A 7 -5.160 9.029 3.915 1.00 0.00 C ATOM 84 CG LYS A 7 -5.707 10.349 3.363 1.00 0.00 C ATOM 85 CD LYS A 7 -4.860 11.517 3.881 1.00 0.00 C ATOM 86 CE LYS A 7 -4.971 11.610 5.407 1.00 0.00 C ATOM 87 NZ LYS A 7 -3.820 10.900 6.032 1.00 0.00 N ATOM 0 H LYS A 7 -6.437 7.497 5.467 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.704 8.207 2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.169 9.047 5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.123 8.896 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.693 10.332 2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.746 10.478 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.818 11.378 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.195 12.449 3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.981 12.654 5.719 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.910 11.169 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.131 9.969 6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.065 10.775 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.459 11.460 6.830 1.00 0.00 H new ATOM 101 N PHE A 8 -5.169 6.633 1.486 1.00 0.00 N ATOM 102 CA PHE A 8 -4.305 5.638 0.799 1.00 0.00 C ATOM 103 C PHE A 8 -3.364 6.344 -0.163 1.00 0.00 C ATOM 104 O PHE A 8 -3.692 7.374 -0.720 1.00 0.00 O ATOM 105 CB PHE A 8 -5.158 4.691 -0.038 1.00 0.00 C ATOM 106 CG PHE A 8 -6.037 3.868 0.851 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.127 4.465 1.466 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.764 2.515 1.060 1.00 0.00 C ATOM 109 CE1 PHE A 8 -7.951 3.718 2.298 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.590 1.756 1.898 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.688 2.361 2.519 1.00 0.00 C ATOM 0 H PHE A 8 -5.798 7.150 0.872 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.751 5.093 1.563 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.768 5.262 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.516 4.040 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.335 5.511 1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.916 2.054 0.576 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.798 4.186 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.381 0.710 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.331 1.783 3.167 1.00 0.00 H new ATOM 121 N LEU A 9 -2.213 5.775 -0.388 1.00 0.00 N ATOM 122 CA LEU A 9 -1.254 6.377 -1.357 1.00 0.00 C ATOM 123 C LEU A 9 -0.883 5.321 -2.402 1.00 0.00 C ATOM 124 O LEU A 9 -0.148 4.395 -2.119 1.00 0.00 O ATOM 125 CB LEU A 9 0.005 6.842 -0.625 1.00 0.00 C ATOM 126 CG LEU A 9 1.082 7.251 -1.638 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.497 8.244 -2.642 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.242 7.907 -0.898 1.00 0.00 C ATOM 0 H LEU A 9 -1.893 4.916 0.059 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.714 7.237 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.233 7.684 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.380 6.042 0.014 1.00 0.00 H new ATOM 0 HG LEU A 9 1.434 6.367 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.266 8.532 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.336 7.780 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.144 9.130 -2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.011 8.200 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.883 8.790 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.663 7.201 -0.182 1.00 0.00 H new ATOM 140 N VAL A 10 -1.379 5.448 -3.607 1.00 0.00 N ATOM 141 CA VAL A 10 -1.038 4.441 -4.658 1.00 0.00 C ATOM 142 C VAL A 10 0.171 4.938 -5.452 1.00 0.00 C ATOM 143 O VAL A 10 0.071 5.844 -6.257 1.00 0.00 O ATOM 144 CB VAL A 10 -2.226 4.227 -5.614 1.00 0.00 C ATOM 145 CG1 VAL A 10 -2.847 2.848 -5.378 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.296 5.296 -5.382 1.00 0.00 C ATOM 0 H VAL A 10 -2.000 6.199 -3.907 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.807 3.491 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.858 4.297 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.686 2.706 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.099 2.076 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.199 2.779 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.129 5.131 -6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.653 5.237 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.869 6.283 -5.562 1.00 0.00 H new ATOM 156 N VAL A 11 1.320 4.356 -5.228 1.00 0.00 N ATOM 157 CA VAL A 11 2.529 4.798 -5.965 1.00 0.00 C ATOM 158 C VAL A 11 2.661 3.991 -7.258 1.00 0.00 C ATOM 159 O VAL A 11 3.739 3.832 -7.796 1.00 0.00 O ATOM 160 CB VAL A 11 3.774 4.585 -5.098 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.998 5.195 -5.791 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.571 5.259 -3.741 1.00 0.00 C ATOM 0 H VAL A 11 1.468 3.594 -4.566 1.00 0.00 H new ATOM 0 HA VAL A 11 2.437 5.857 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 11 3.935 3.516 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.881 5.041 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.145 4.715 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.839 6.263 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.456 5.108 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.408 6.327 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.704 4.823 -3.245 1.00 0.00 H new ATOM 172 N ASP A 12 1.570 3.480 -7.760 1.00 0.00 N ATOM 173 CA ASP A 12 1.627 2.681 -9.016 1.00 0.00 C ATOM 174 C ASP A 12 2.258 3.519 -10.130 1.00 0.00 C ATOM 175 O ASP A 12 1.828 4.619 -10.412 1.00 0.00 O ATOM 176 CB ASP A 12 0.211 2.274 -9.427 1.00 0.00 C ATOM 177 CG ASP A 12 -0.374 1.326 -8.378 1.00 0.00 C ATOM 178 OD1 ASP A 12 0.156 0.236 -8.232 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.341 1.706 -7.738 1.00 0.00 O ATOM 0 H ASP A 12 0.640 3.582 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 12 2.229 1.788 -8.848 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.419 3.158 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.230 1.787 -10.402 1.00 0.00 H new ATOM 184 N ASP A 13 3.274 3.004 -10.767 1.00 0.00 N ATOM 185 CA ASP A 13 3.930 3.767 -11.866 1.00 0.00 C ATOM 186 C ASP A 13 3.312 3.360 -13.204 1.00 0.00 C ATOM 187 O ASP A 13 3.655 3.886 -14.244 1.00 0.00 O ATOM 188 CB ASP A 13 5.428 3.452 -11.878 1.00 0.00 C ATOM 189 CG ASP A 13 5.692 2.260 -12.800 1.00 0.00 C ATOM 190 OD1 ASP A 13 5.464 1.142 -12.369 1.00 0.00 O ATOM 191 OD2 ASP A 13 6.116 2.485 -13.922 1.00 0.00 O ATOM 0 H ASP A 13 3.678 2.088 -10.574 1.00 0.00 H new ATOM 0 HA ASP A 13 3.784 4.836 -11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.990 4.321 -12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.771 3.227 -10.868 1.00 0.00 H new ATOM 196 N PHE A 14 2.401 2.426 -13.185 1.00 0.00 N ATOM 197 CA PHE A 14 1.758 1.983 -14.454 1.00 0.00 C ATOM 198 C PHE A 14 1.077 3.176 -15.128 1.00 0.00 C ATOM 199 O PHE A 14 1.410 4.315 -14.867 1.00 0.00 O ATOM 200 CB PHE A 14 0.718 0.903 -14.146 1.00 0.00 C ATOM 201 CG PHE A 14 0.880 -0.241 -15.118 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.924 -1.159 -14.952 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.015 -0.384 -16.185 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.073 -2.219 -15.853 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.135 -1.445 -17.086 1.00 0.00 C ATOM 206 CZ PHE A 14 1.179 -2.362 -16.920 1.00 0.00 C ATOM 0 H PHE A 14 2.074 1.950 -12.344 1.00 0.00 H new ATOM 0 HA PHE A 14 2.516 1.577 -15.124 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.840 0.546 -13.123 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.287 1.318 -14.221 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.614 -1.049 -14.129 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.821 0.324 -16.313 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.878 -2.927 -15.725 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.555 -1.556 -17.909 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.295 -3.180 -17.615 1.00 0.00 H new ATOM 216 N SER A 15 0.129 2.919 -15.993 1.00 0.00 N ATOM 217 CA SER A 15 -0.581 4.030 -16.695 1.00 0.00 C ATOM 218 C SER A 15 -2.093 3.839 -16.559 1.00 0.00 C ATOM 219 O SER A 15 -2.873 4.537 -17.178 1.00 0.00 O ATOM 220 CB SER A 15 -0.202 4.019 -18.176 1.00 0.00 C ATOM 221 OG SER A 15 0.690 5.093 -18.440 1.00 0.00 O ATOM 0 H SER A 15 -0.185 1.982 -16.244 1.00 0.00 H new ATOM 0 HA SER A 15 -0.293 4.982 -16.249 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.266 3.070 -18.436 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.096 4.113 -18.793 1.00 0.00 H new ATOM 0 HG SER A 15 0.936 5.088 -19.388 1.00 0.00 H new ATOM 227 N THR A 16 -2.518 2.903 -15.755 1.00 0.00 N ATOM 228 CA THR A 16 -3.982 2.679 -15.588 1.00 0.00 C ATOM 229 C THR A 16 -4.249 1.979 -14.254 1.00 0.00 C ATOM 230 O THR A 16 -5.333 2.054 -13.711 1.00 0.00 O ATOM 231 CB THR A 16 -4.501 1.808 -16.735 1.00 0.00 C ATOM 232 OG1 THR A 16 -5.705 1.171 -16.334 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.456 0.751 -17.091 1.00 0.00 C ATOM 0 H THR A 16 -1.917 2.286 -15.208 1.00 0.00 H new ATOM 0 HA THR A 16 -4.496 3.640 -15.600 1.00 0.00 H new ATOM 0 HB THR A 16 -4.692 2.432 -17.608 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.040 0.614 -17.067 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.828 0.132 -17.908 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.533 1.242 -17.399 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.261 0.124 -16.221 1.00 0.00 H new ATOM 241 N MET A 17 -3.272 1.296 -13.720 1.00 0.00 N ATOM 242 CA MET A 17 -3.482 0.593 -12.421 1.00 0.00 C ATOM 243 C MET A 17 -4.146 1.552 -11.430 1.00 0.00 C ATOM 244 O MET A 17 -5.138 1.226 -10.808 1.00 0.00 O ATOM 245 CB MET A 17 -2.129 0.126 -11.867 1.00 0.00 C ATOM 246 CG MET A 17 -2.277 -0.330 -10.407 1.00 0.00 C ATOM 247 SD MET A 17 -3.647 -1.504 -10.265 1.00 0.00 S ATOM 248 CE MET A 17 -2.673 -3.014 -10.482 1.00 0.00 C ATOM 0 H MET A 17 -2.341 1.195 -14.125 1.00 0.00 H new ATOM 0 HA MET A 17 -4.125 -0.274 -12.571 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.744 -0.694 -12.473 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.404 0.937 -11.930 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.352 -0.794 -10.066 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.457 0.532 -9.764 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.330 -3.882 -10.429 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.179 -2.992 -11.453 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.922 -3.079 -9.695 1.00 0.00 H new ATOM 258 N ARG A 18 -3.606 2.730 -11.277 1.00 0.00 N ATOM 259 CA ARG A 18 -4.205 3.712 -10.326 1.00 0.00 C ATOM 260 C ARG A 18 -5.711 3.764 -10.496 1.00 0.00 C ATOM 261 O ARG A 18 -6.461 3.623 -9.552 1.00 0.00 O ATOM 262 CB ARG A 18 -3.671 5.125 -10.580 1.00 0.00 C ATOM 263 CG ARG A 18 -3.586 5.434 -12.087 1.00 0.00 C ATOM 264 CD ARG A 18 -4.561 6.563 -12.438 1.00 0.00 C ATOM 265 NE ARG A 18 -4.058 7.849 -11.879 1.00 0.00 N ATOM 266 CZ ARG A 18 -4.740 8.948 -12.055 1.00 0.00 C ATOM 267 NH1 ARG A 18 -6.020 8.969 -11.800 1.00 0.00 N ATOM 268 NH2 ARG A 18 -4.145 10.025 -12.487 1.00 0.00 N ATOM 0 H ARG A 18 -2.775 3.056 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.938 3.384 -9.321 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.320 5.853 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.684 5.228 -10.130 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.569 5.723 -12.352 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.825 4.541 -12.665 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.668 6.642 -13.520 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.550 6.342 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.181 7.871 -11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.487 8.127 -11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.553 9.828 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.145 10.010 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.680 10.883 -12.624 1.00 0.00 H new ATOM 282 N ARG A 19 -6.158 4.020 -11.685 1.00 0.00 N ATOM 283 CA ARG A 19 -7.612 4.143 -11.903 1.00 0.00 C ATOM 284 C ARG A 19 -8.336 2.875 -11.436 1.00 0.00 C ATOM 285 O ARG A 19 -9.430 2.934 -10.910 1.00 0.00 O ATOM 286 CB ARG A 19 -7.892 4.381 -13.390 1.00 0.00 C ATOM 287 CG ARG A 19 -9.348 4.024 -13.703 1.00 0.00 C ATOM 288 CD ARG A 19 -9.758 4.673 -15.025 1.00 0.00 C ATOM 289 NE ARG A 19 -8.723 4.392 -16.058 1.00 0.00 N ATOM 290 CZ ARG A 19 -8.207 5.371 -16.749 1.00 0.00 C ATOM 291 NH1 ARG A 19 -8.907 5.944 -17.689 1.00 0.00 N ATOM 292 NH2 ARG A 19 -6.994 5.780 -16.498 1.00 0.00 N ATOM 0 H ARG A 19 -5.578 4.149 -12.514 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.982 4.988 -11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.700 5.423 -13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.220 3.776 -13.998 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.463 2.942 -13.766 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.999 4.368 -12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.724 4.286 -15.348 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.874 5.749 -14.894 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.417 3.433 -16.225 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.857 5.627 -17.883 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.505 6.709 -18.230 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.448 5.334 -15.761 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.592 6.545 -17.039 1.00 0.00 H new ATOM 306 N ILE A 20 -7.748 1.730 -11.641 1.00 0.00 N ATOM 307 CA ILE A 20 -8.416 0.462 -11.225 1.00 0.00 C ATOM 308 C ILE A 20 -8.560 0.420 -9.700 1.00 0.00 C ATOM 309 O ILE A 20 -9.617 0.124 -9.176 1.00 0.00 O ATOM 310 CB ILE A 20 -7.575 -0.733 -11.706 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.050 -1.170 -13.096 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.719 -1.915 -10.738 1.00 0.00 C ATOM 313 CD1 ILE A 20 -7.866 -0.022 -14.093 1.00 0.00 C ATOM 0 H ILE A 20 -6.834 1.616 -12.078 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.410 0.412 -11.671 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.530 -0.427 -11.746 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.486 -2.043 -13.425 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.099 -1.464 -13.056 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.118 -2.752 -11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.377 -1.617 -9.747 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.765 -2.217 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.205 -0.339 -15.079 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.449 0.839 -13.768 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.812 0.251 -14.143 1.00 0.00 H new ATOM 325 N VAL A 21 -7.507 0.691 -8.981 1.00 0.00 N ATOM 326 CA VAL A 21 -7.595 0.641 -7.493 1.00 0.00 C ATOM 327 C VAL A 21 -8.390 1.837 -6.962 1.00 0.00 C ATOM 328 O VAL A 21 -9.082 1.739 -5.968 1.00 0.00 O ATOM 329 CB VAL A 21 -6.190 0.650 -6.890 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.935 -0.685 -6.188 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.158 0.842 -8.001 1.00 0.00 C ATOM 0 H VAL A 21 -6.593 0.944 -9.356 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.108 -0.277 -7.206 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.107 1.466 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.934 -0.684 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.671 -0.827 -5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.018 -1.497 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.157 0.848 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.239 0.025 -8.718 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.341 1.790 -8.508 1.00 0.00 H new ATOM 341 N ARG A 22 -8.300 2.966 -7.609 1.00 0.00 N ATOM 342 CA ARG A 22 -9.054 4.161 -7.131 1.00 0.00 C ATOM 343 C ARG A 22 -10.512 3.777 -6.876 1.00 0.00 C ATOM 344 O ARG A 22 -11.053 4.004 -5.811 1.00 0.00 O ATOM 345 CB ARG A 22 -9.011 5.245 -8.207 1.00 0.00 C ATOM 346 CG ARG A 22 -8.057 6.363 -7.784 1.00 0.00 C ATOM 347 CD ARG A 22 -8.723 7.226 -6.710 1.00 0.00 C ATOM 348 NE ARG A 22 -9.229 8.485 -7.326 1.00 0.00 N ATOM 349 CZ ARG A 22 -10.402 8.507 -7.898 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.439 8.012 -7.281 1.00 0.00 N ATOM 351 NH2 ARG A 22 -10.538 9.024 -9.089 1.00 0.00 N ATOM 0 H ARG A 22 -7.738 3.114 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.603 4.529 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.685 4.816 -9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.010 5.650 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.130 5.938 -7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.794 6.976 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.545 6.679 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.009 7.457 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.658 9.330 -7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.334 7.607 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.355 8.030 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.728 9.411 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.455 9.041 -9.536 1.00 0.00 H new ATOM 365 N ASN A 23 -11.146 3.201 -7.853 1.00 0.00 N ATOM 366 CA ASN A 23 -12.559 2.794 -7.712 1.00 0.00 C ATOM 367 C ASN A 23 -12.666 1.661 -6.704 1.00 0.00 C ATOM 368 O ASN A 23 -13.368 1.745 -5.717 1.00 0.00 O ATOM 369 CB ASN A 23 -13.008 2.281 -9.065 1.00 0.00 C ATOM 370 CG ASN A 23 -14.375 2.866 -9.424 1.00 0.00 C ATOM 371 OD1 ASN A 23 -14.600 4.050 -9.277 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.304 2.079 -9.895 1.00 0.00 N ATOM 0 H ASN A 23 -10.732 2.992 -8.761 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.170 3.631 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.277 2.553 -9.826 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.063 1.192 -9.050 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.219 2.459 -10.139 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.115 1.084 -10.019 1.00 0.00 H new ATOM 379 N LEU A 24 -11.976 0.592 -6.977 1.00 0.00 N ATOM 380 CA LEU A 24 -12.010 -0.597 -6.079 1.00 0.00 C ATOM 381 C LEU A 24 -12.002 -0.150 -4.610 1.00 0.00 C ATOM 382 O LEU A 24 -12.625 -0.764 -3.766 1.00 0.00 O ATOM 383 CB LEU A 24 -10.783 -1.463 -6.386 1.00 0.00 C ATOM 384 CG LEU A 24 -10.914 -2.870 -5.758 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.415 -3.908 -6.763 1.00 0.00 C ATOM 386 CD2 LEU A 24 -10.086 -3.008 -4.467 1.00 0.00 C ATOM 0 H LEU A 24 -11.379 0.488 -7.798 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.920 -1.173 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.661 -1.555 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.886 -0.975 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.964 -3.026 -5.509 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.503 -4.905 -6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.015 -3.853 -7.671 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.371 -3.708 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.209 -4.012 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.033 -2.833 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.429 -2.277 -3.735 1.00 0.00 H new ATOM 398 N LEU A 25 -11.328 0.926 -4.297 1.00 0.00 N ATOM 399 CA LEU A 25 -11.321 1.411 -2.885 1.00 0.00 C ATOM 400 C LEU A 25 -12.630 2.151 -2.628 1.00 0.00 C ATOM 401 O LEU A 25 -13.253 1.997 -1.597 1.00 0.00 O ATOM 402 CB LEU A 25 -10.140 2.361 -2.662 1.00 0.00 C ATOM 403 CG LEU A 25 -8.917 1.561 -2.200 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.674 2.451 -2.253 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.119 1.065 -0.762 1.00 0.00 C ATOM 0 H LEU A 25 -10.785 1.487 -4.954 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.222 0.567 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.911 2.895 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.400 3.111 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.788 0.703 -2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.805 1.882 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.517 2.796 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.814 3.311 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.243 0.498 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.257 1.919 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.000 0.425 -0.718 1.00 0.00 H new ATOM 417 N LYS A 26 -13.059 2.949 -3.568 1.00 0.00 N ATOM 418 CA LYS A 26 -14.331 3.689 -3.394 1.00 0.00 C ATOM 419 C LYS A 26 -15.462 2.686 -3.179 1.00 0.00 C ATOM 420 O LYS A 26 -16.393 2.932 -2.438 1.00 0.00 O ATOM 421 CB LYS A 26 -14.612 4.522 -4.647 1.00 0.00 C ATOM 422 CG LYS A 26 -15.926 5.298 -4.468 1.00 0.00 C ATOM 423 CD LYS A 26 -17.070 4.593 -5.209 1.00 0.00 C ATOM 424 CE LYS A 26 -17.097 5.045 -6.672 1.00 0.00 C ATOM 425 NZ LYS A 26 -15.705 5.258 -7.160 1.00 0.00 N ATOM 0 H LYS A 26 -12.577 3.118 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.260 4.352 -2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.790 5.215 -4.826 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.678 3.873 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.166 5.379 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.810 6.313 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.939 3.512 -5.155 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -18.022 4.823 -4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -17.596 4.295 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -17.671 5.967 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.708 5.331 -8.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.325 6.136 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.109 4.456 -6.871 1.00 0.00 H new ATOM 439 N GLU A 27 -15.387 1.551 -3.823 1.00 0.00 N ATOM 440 CA GLU A 27 -16.453 0.531 -3.655 1.00 0.00 C ATOM 441 C GLU A 27 -16.636 0.234 -2.166 1.00 0.00 C ATOM 442 O GLU A 27 -17.707 -0.122 -1.719 1.00 0.00 O ATOM 443 CB GLU A 27 -16.048 -0.751 -4.387 1.00 0.00 C ATOM 444 CG GLU A 27 -17.301 -1.515 -4.824 1.00 0.00 C ATOM 445 CD GLU A 27 -18.118 -1.907 -3.591 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.592 -2.633 -2.764 1.00 0.00 O ATOM 447 OE2 GLU A 27 -19.254 -1.476 -3.495 1.00 0.00 O ATOM 0 H GLU A 27 -14.632 1.290 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.389 0.905 -4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.438 -0.507 -5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.438 -1.376 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.903 -0.897 -5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.019 -2.406 -5.385 1.00 0.00 H new ATOM 454 N LEU A 28 -15.593 0.376 -1.394 1.00 0.00 N ATOM 455 CA LEU A 28 -15.702 0.098 0.065 1.00 0.00 C ATOM 456 C LEU A 28 -16.144 1.369 0.803 1.00 0.00 C ATOM 457 O LEU A 28 -16.536 1.318 1.951 1.00 0.00 O ATOM 458 CB LEU A 28 -14.344 -0.370 0.595 1.00 0.00 C ATOM 459 CG LEU A 28 -14.291 -1.901 0.606 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.835 -2.362 0.521 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.914 -2.423 1.904 1.00 0.00 C ATOM 0 H LEU A 28 -14.670 0.673 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.443 -0.684 0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.543 0.026 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.184 0.016 1.602 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.846 -2.289 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.797 -3.451 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.389 -1.990 -0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.280 -1.974 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.877 -3.512 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -14.358 -2.034 2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.951 -2.095 1.967 1.00 0.00 H new ATOM 473 N GLY A 29 -16.100 2.501 0.142 1.00 0.00 N ATOM 474 CA GLY A 29 -16.535 3.770 0.784 1.00 0.00 C ATOM 475 C GLY A 29 -15.330 4.649 1.137 1.00 0.00 C ATOM 476 O GLY A 29 -15.448 5.590 1.893 1.00 0.00 O ATOM 0 H GLY A 29 -15.778 2.595 -0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.200 4.312 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.105 3.548 1.686 1.00 0.00 H new ATOM 480 N PHE A 30 -14.177 4.372 0.594 1.00 0.00 N ATOM 481 CA PHE A 30 -12.994 5.221 0.921 1.00 0.00 C ATOM 482 C PHE A 30 -12.917 6.377 -0.082 1.00 0.00 C ATOM 483 O PHE A 30 -12.937 6.166 -1.278 1.00 0.00 O ATOM 484 CB PHE A 30 -11.711 4.389 0.814 1.00 0.00 C ATOM 485 CG PHE A 30 -11.629 3.397 1.951 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.231 3.814 3.224 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.933 2.055 1.721 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.135 2.884 4.266 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.842 1.123 2.763 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.440 1.539 4.036 1.00 0.00 C ATOM 0 H PHE A 30 -14.002 3.604 -0.055 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.096 5.605 1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.691 3.861 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.841 5.046 0.833 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.998 4.853 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.239 1.734 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.825 3.206 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.082 0.085 2.583 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.365 0.822 4.841 1.00 0.00 H new ATOM 500 N ASN A 31 -12.843 7.598 0.398 1.00 0.00 N ATOM 501 CA ASN A 31 -12.780 8.771 -0.521 1.00 0.00 C ATOM 502 C ASN A 31 -11.621 9.693 -0.110 1.00 0.00 C ATOM 503 O ASN A 31 -11.821 10.803 0.340 1.00 0.00 O ATOM 504 CB ASN A 31 -14.106 9.531 -0.438 1.00 0.00 C ATOM 505 CG ASN A 31 -15.052 9.023 -1.527 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.994 9.469 -2.656 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.928 8.100 -1.235 1.00 0.00 N ATOM 0 H ASN A 31 -12.824 7.828 1.391 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.612 8.433 -1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.557 9.392 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -13.933 10.600 -0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.563 7.754 -1.954 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.977 7.725 -0.288 1.00 0.00 H new ATOM 514 N ASN A 32 -10.408 9.237 -0.267 1.00 0.00 N ATOM 515 CA ASN A 32 -9.234 10.077 0.103 1.00 0.00 C ATOM 516 C ASN A 32 -7.955 9.343 -0.319 1.00 0.00 C ATOM 517 O ASN A 32 -7.397 8.563 0.428 1.00 0.00 O ATOM 518 CB ASN A 32 -9.238 10.320 1.618 1.00 0.00 C ATOM 519 CG ASN A 32 -9.051 11.813 1.895 1.00 0.00 C ATOM 520 OD1 ASN A 32 -9.730 12.377 2.731 1.00 0.00 O ATOM 521 ND2 ASN A 32 -8.154 12.482 1.225 1.00 0.00 N ATOM 0 H ASN A 32 -10.179 8.315 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.281 11.041 -0.403 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.177 9.974 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.439 9.749 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.022 13.478 1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.584 12.009 0.523 1.00 0.00 H new ATOM 528 N VAL A 33 -7.502 9.567 -1.527 1.00 0.00 N ATOM 529 CA VAL A 33 -6.278 8.863 -2.016 1.00 0.00 C ATOM 530 C VAL A 33 -5.404 9.815 -2.836 1.00 0.00 C ATOM 531 O VAL A 33 -5.895 10.726 -3.474 1.00 0.00 O ATOM 532 CB VAL A 33 -6.706 7.702 -2.919 1.00 0.00 C ATOM 533 CG1 VAL A 33 -5.478 6.903 -3.364 1.00 0.00 C ATOM 534 CG2 VAL A 33 -7.664 6.783 -2.159 1.00 0.00 C ATOM 0 H VAL A 33 -7.928 10.208 -2.196 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.711 8.503 -1.158 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.209 8.105 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.792 6.080 -4.006 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.800 7.555 -3.916 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.966 6.505 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.966 5.958 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.164 6.387 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.545 7.348 -1.855 1.00 0.00 H new ATOM 544 N GLU A 34 -4.113 9.582 -2.851 1.00 0.00 N ATOM 545 CA GLU A 34 -3.195 10.432 -3.658 1.00 0.00 C ATOM 546 C GLU A 34 -2.392 9.494 -4.552 1.00 0.00 C ATOM 547 O GLU A 34 -2.676 8.316 -4.611 1.00 0.00 O ATOM 548 CB GLU A 34 -2.269 11.228 -2.736 1.00 0.00 C ATOM 549 CG GLU A 34 -3.076 12.289 -1.972 1.00 0.00 C ATOM 550 CD GLU A 34 -2.248 13.569 -1.842 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.737 14.026 -2.853 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.136 14.069 -0.735 1.00 0.00 O ATOM 0 H GLU A 34 -3.657 8.831 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.751 11.151 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.777 10.556 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.484 11.707 -3.321 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.008 12.499 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.343 11.915 -0.984 1.00 0.00 H new ATOM 559 N GLU A 35 -1.418 9.981 -5.266 1.00 0.00 N ATOM 560 CA GLU A 35 -0.656 9.066 -6.165 1.00 0.00 C ATOM 561 C GLU A 35 0.793 9.521 -6.314 1.00 0.00 C ATOM 562 O GLU A 35 1.135 10.663 -6.079 1.00 0.00 O ATOM 563 CB GLU A 35 -1.323 9.056 -7.543 1.00 0.00 C ATOM 564 CG GLU A 35 -1.219 7.660 -8.160 1.00 0.00 C ATOM 565 CD GLU A 35 -1.899 7.660 -9.531 1.00 0.00 C ATOM 566 OE1 GLU A 35 -3.108 7.810 -9.569 1.00 0.00 O ATOM 567 OE2 GLU A 35 -1.197 7.510 -10.518 1.00 0.00 O ATOM 0 H GLU A 35 -1.118 10.956 -5.269 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.659 8.067 -5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.370 9.346 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.844 9.788 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.173 7.371 -8.260 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.691 6.926 -7.507 1.00 0.00 H new ATOM 574 N ALA A 36 1.644 8.616 -6.714 1.00 0.00 N ATOM 575 CA ALA A 36 3.080 8.951 -6.902 1.00 0.00 C ATOM 576 C ALA A 36 3.650 8.057 -8.009 1.00 0.00 C ATOM 577 O ALA A 36 2.920 7.352 -8.676 1.00 0.00 O ATOM 578 CB ALA A 36 3.828 8.705 -5.591 1.00 0.00 C ATOM 0 H ALA A 36 1.400 7.647 -6.920 1.00 0.00 H new ATOM 0 HA ALA A 36 3.193 9.998 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.882 8.949 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.405 9.333 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.731 7.657 -5.308 1.00 0.00 H new ATOM 584 N GLU A 37 4.941 8.084 -8.212 1.00 0.00 N ATOM 585 CA GLU A 37 5.550 7.236 -9.281 1.00 0.00 C ATOM 586 C GLU A 37 6.863 6.631 -8.778 1.00 0.00 C ATOM 587 O GLU A 37 7.604 6.028 -9.528 1.00 0.00 O ATOM 588 CB GLU A 37 5.826 8.097 -10.516 1.00 0.00 C ATOM 589 CG GLU A 37 6.497 9.403 -10.088 1.00 0.00 C ATOM 590 CD GLU A 37 7.206 10.031 -11.290 1.00 0.00 C ATOM 591 OE1 GLU A 37 6.517 10.519 -12.170 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.426 10.013 -11.308 1.00 0.00 O ATOM 0 H GLU A 37 5.600 8.656 -7.684 1.00 0.00 H new ATOM 0 HA GLU A 37 4.861 6.433 -9.540 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.468 7.557 -11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.894 8.309 -11.040 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.753 10.093 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.213 9.211 -9.289 1.00 0.00 H new ATOM 599 N ASP A 38 7.154 6.782 -7.514 1.00 0.00 N ATOM 600 CA ASP A 38 8.413 6.214 -6.953 1.00 0.00 C ATOM 601 C ASP A 38 8.587 6.759 -5.539 1.00 0.00 C ATOM 602 O ASP A 38 7.693 7.374 -4.999 1.00 0.00 O ATOM 603 CB ASP A 38 9.612 6.625 -7.815 1.00 0.00 C ATOM 604 CG ASP A 38 9.364 8.009 -8.417 1.00 0.00 C ATOM 605 OD1 ASP A 38 9.034 8.910 -7.665 1.00 0.00 O ATOM 606 OD2 ASP A 38 9.507 8.144 -9.621 1.00 0.00 O ATOM 0 H ASP A 38 6.569 7.278 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 38 8.357 5.126 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.519 6.638 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.768 5.895 -8.609 1.00 0.00 H new ATOM 611 N GLY A 39 9.713 6.544 -4.925 1.00 0.00 N ATOM 612 CA GLY A 39 9.893 7.069 -3.544 1.00 0.00 C ATOM 613 C GLY A 39 10.102 8.576 -3.602 1.00 0.00 C ATOM 614 O GLY A 39 9.591 9.312 -2.784 1.00 0.00 O ATOM 0 H GLY A 39 10.508 6.035 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.019 6.835 -2.937 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.749 6.590 -3.069 1.00 0.00 H new ATOM 618 N VAL A 40 10.826 9.053 -4.568 1.00 0.00 N ATOM 619 CA VAL A 40 11.022 10.519 -4.664 1.00 0.00 C ATOM 620 C VAL A 40 9.646 11.175 -4.637 1.00 0.00 C ATOM 621 O VAL A 40 9.433 12.192 -4.002 1.00 0.00 O ATOM 622 CB VAL A 40 11.731 10.858 -5.976 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.931 12.372 -6.072 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.093 10.161 -6.015 1.00 0.00 C ATOM 0 H VAL A 40 11.287 8.498 -5.289 1.00 0.00 H new ATOM 0 HA VAL A 40 11.632 10.879 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 40 11.124 10.518 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 40 12.436 12.614 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.962 12.870 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.538 12.713 -5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.599 10.402 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.700 10.501 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.952 9.082 -5.947 1.00 0.00 H new ATOM 634 N ASP A 41 8.704 10.583 -5.319 1.00 0.00 N ATOM 635 CA ASP A 41 7.329 11.145 -5.351 1.00 0.00 C ATOM 636 C ASP A 41 6.588 10.777 -4.066 1.00 0.00 C ATOM 637 O ASP A 41 6.016 11.622 -3.410 1.00 0.00 O ATOM 638 CB ASP A 41 6.587 10.557 -6.547 1.00 0.00 C ATOM 639 CG ASP A 41 5.352 11.406 -6.857 1.00 0.00 C ATOM 640 OD1 ASP A 41 4.721 11.865 -5.919 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.059 11.584 -8.028 1.00 0.00 O ATOM 0 H ASP A 41 8.832 9.727 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 41 7.379 12.231 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.245 10.525 -7.415 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.290 9.530 -6.334 1.00 0.00 H new ATOM 646 N ALA A 42 6.590 9.524 -3.702 1.00 0.00 N ATOM 647 CA ALA A 42 5.878 9.120 -2.458 1.00 0.00 C ATOM 648 C ALA A 42 6.528 9.815 -1.262 1.00 0.00 C ATOM 649 O ALA A 42 5.891 10.559 -0.544 1.00 0.00 O ATOM 650 CB ALA A 42 5.970 7.604 -2.287 1.00 0.00 C ATOM 0 H ALA A 42 7.050 8.768 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 42 4.829 9.409 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.449 7.308 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.510 7.113 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.017 7.308 -2.218 1.00 0.00 H new ATOM 656 N LEU A 43 7.795 9.577 -1.048 1.00 0.00 N ATOM 657 CA LEU A 43 8.500 10.224 0.096 1.00 0.00 C ATOM 658 C LEU A 43 8.119 11.705 0.153 1.00 0.00 C ATOM 659 O LEU A 43 7.729 12.213 1.184 1.00 0.00 O ATOM 660 CB LEU A 43 10.015 10.091 -0.100 1.00 0.00 C ATOM 661 CG LEU A 43 10.756 10.654 1.121 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.412 9.837 2.370 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.265 10.582 0.872 1.00 0.00 C ATOM 0 H LEU A 43 8.373 8.960 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 43 8.211 9.738 1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.280 9.044 -0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.322 10.625 -0.999 1.00 0.00 H new ATOM 0 HG LEU A 43 10.452 11.689 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.943 10.245 3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.338 9.884 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.709 8.799 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.796 10.981 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.558 9.544 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.517 11.170 -0.011 1.00 0.00 H new ATOM 675 N ASN A 44 8.226 12.405 -0.946 1.00 0.00 N ATOM 676 CA ASN A 44 7.862 13.848 -0.939 1.00 0.00 C ATOM 677 C ASN A 44 6.358 13.996 -0.704 1.00 0.00 C ATOM 678 O ASN A 44 5.906 14.915 -0.050 1.00 0.00 O ATOM 679 CB ASN A 44 8.225 14.475 -2.286 1.00 0.00 C ATOM 680 CG ASN A 44 9.724 14.780 -2.323 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.258 15.372 -1.406 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.429 14.399 -3.353 1.00 0.00 N ATOM 0 H ASN A 44 8.548 12.040 -1.842 1.00 0.00 H new ATOM 0 HA ASN A 44 8.408 14.352 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.962 13.796 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.653 15.391 -2.438 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.429 14.598 -3.389 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.980 13.902 -4.122 1.00 0.00 H new ATOM 689 N LYS A 45 5.579 13.100 -1.243 1.00 0.00 N ATOM 690 CA LYS A 45 4.101 13.188 -1.066 1.00 0.00 C ATOM 691 C LYS A 45 3.668 12.418 0.186 1.00 0.00 C ATOM 692 O LYS A 45 2.493 12.247 0.436 1.00 0.00 O ATOM 693 CB LYS A 45 3.404 12.594 -2.295 1.00 0.00 C ATOM 694 CG LYS A 45 3.673 13.471 -3.525 1.00 0.00 C ATOM 695 CD LYS A 45 3.032 14.851 -3.345 1.00 0.00 C ATOM 696 CE LYS A 45 2.582 15.388 -4.705 1.00 0.00 C ATOM 697 NZ LYS A 45 3.642 15.124 -5.719 1.00 0.00 N ATOM 0 H LYS A 45 5.902 12.309 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 45 3.821 14.235 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.765 11.581 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.331 12.523 -2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.747 13.578 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.273 12.990 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.179 14.782 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.745 15.538 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.649 14.911 -5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.386 16.458 -4.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.606 15.855 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.575 15.143 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.486 14.190 -6.149 1.00 0.00 H new ATOM 711 N LEU A 46 4.597 11.956 0.980 1.00 0.00 N ATOM 712 CA LEU A 46 4.210 11.207 2.213 1.00 0.00 C ATOM 713 C LEU A 46 4.010 12.200 3.359 1.00 0.00 C ATOM 714 O LEU A 46 3.058 12.114 4.109 1.00 0.00 O ATOM 715 CB LEU A 46 5.320 10.214 2.585 1.00 0.00 C ATOM 716 CG LEU A 46 4.725 8.825 2.859 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.643 8.916 3.937 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.104 8.261 1.580 1.00 0.00 C ATOM 0 H LEU A 46 5.600 12.063 0.831 1.00 0.00 H new ATOM 0 HA LEU A 46 3.285 10.660 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.048 10.152 1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.854 10.569 3.467 1.00 0.00 H new ATOM 0 HG LEU A 46 5.525 8.169 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.229 7.925 4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.078 9.305 4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.850 9.583 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.684 7.276 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.314 8.928 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.871 8.177 0.810 1.00 0.00 H new ATOM 730 N GLN A 47 4.899 13.144 3.500 1.00 0.00 N ATOM 731 CA GLN A 47 4.755 14.141 4.597 1.00 0.00 C ATOM 732 C GLN A 47 3.507 14.989 4.345 1.00 0.00 C ATOM 733 O GLN A 47 3.198 15.897 5.093 1.00 0.00 O ATOM 734 CB GLN A 47 5.989 15.045 4.629 1.00 0.00 C ATOM 735 CG GLN A 47 7.200 14.237 5.102 1.00 0.00 C ATOM 736 CD GLN A 47 8.485 14.916 4.627 1.00 0.00 C ATOM 737 OE1 GLN A 47 8.685 16.092 4.859 1.00 0.00 O ATOM 738 NE2 GLN A 47 9.371 14.222 3.968 1.00 0.00 N ATOM 0 H GLN A 47 5.717 13.268 2.904 1.00 0.00 H new ATOM 0 HA GLN A 47 4.660 13.625 5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.178 15.457 3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.818 15.889 5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.197 14.161 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.147 13.221 4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.204 13.235 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.231 14.666 3.648 1.00 0.00 H new ATOM 747 N ALA A 48 2.791 14.702 3.292 1.00 0.00 N ATOM 748 CA ALA A 48 1.566 15.486 2.979 1.00 0.00 C ATOM 749 C ALA A 48 0.732 15.677 4.249 1.00 0.00 C ATOM 750 O ALA A 48 0.619 16.771 4.766 1.00 0.00 O ATOM 751 CB ALA A 48 0.740 14.744 1.926 1.00 0.00 C ATOM 0 H ALA A 48 3.005 13.954 2.633 1.00 0.00 H new ATOM 0 HA ALA A 48 1.854 16.463 2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.158 15.318 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.333 14.620 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.456 13.765 2.311 1.00 0.00 H new ATOM 757 N GLY A 49 0.141 14.627 4.755 1.00 0.00 N ATOM 758 CA GLY A 49 -0.686 14.764 5.989 1.00 0.00 C ATOM 759 C GLY A 49 -0.593 13.483 6.820 1.00 0.00 C ATOM 760 O GLY A 49 -1.316 13.302 7.781 1.00 0.00 O ATOM 0 H GLY A 49 0.195 13.684 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.341 15.615 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.724 14.961 5.722 1.00 0.00 H new ATOM 764 N GLY A 50 0.288 12.591 6.462 1.00 0.00 N ATOM 765 CA GLY A 50 0.421 11.325 7.235 1.00 0.00 C ATOM 766 C GLY A 50 -0.595 10.306 6.722 1.00 0.00 C ATOM 767 O GLY A 50 -1.700 10.209 7.219 1.00 0.00 O ATOM 0 H GLY A 50 0.921 12.684 5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.432 10.929 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.258 11.515 8.296 1.00 0.00 H new ATOM 771 N TYR A 51 -0.230 9.545 5.728 1.00 0.00 N ATOM 772 CA TYR A 51 -1.168 8.534 5.176 1.00 0.00 C ATOM 773 C TYR A 51 -1.339 7.394 6.174 1.00 0.00 C ATOM 774 O TYR A 51 -0.387 6.912 6.747 1.00 0.00 O ATOM 775 CB TYR A 51 -0.590 7.975 3.877 1.00 0.00 C ATOM 776 CG TYR A 51 -0.742 8.998 2.785 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.085 10.120 2.780 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.704 8.827 1.782 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.041 11.079 1.776 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.832 9.789 0.772 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.998 10.916 0.770 1.00 0.00 C ATOM 782 OH TYR A 51 -1.115 11.866 -0.220 1.00 0.00 O ATOM 0 H TYR A 51 0.682 9.582 5.274 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.135 9.000 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.462 7.724 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.105 7.054 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.825 10.247 3.556 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.344 7.957 1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.601 11.948 1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.572 9.663 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.331 12.733 0.183 1.00 0.00 H new ATOM 792 N GLY A 52 -2.542 6.944 6.374 1.00 0.00 N ATOM 793 CA GLY A 52 -2.755 5.818 7.320 1.00 0.00 C ATOM 794 C GLY A 52 -2.639 4.513 6.547 1.00 0.00 C ATOM 795 O GLY A 52 -2.685 3.435 7.106 1.00 0.00 O ATOM 0 H GLY A 52 -3.384 7.305 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.017 5.851 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.737 5.896 7.787 1.00 0.00 H new ATOM 799 N PHE A 53 -2.503 4.606 5.256 1.00 0.00 N ATOM 800 CA PHE A 53 -2.400 3.382 4.426 1.00 0.00 C ATOM 801 C PHE A 53 -1.589 3.702 3.166 1.00 0.00 C ATOM 802 O PHE A 53 -1.789 4.723 2.538 1.00 0.00 O ATOM 803 CB PHE A 53 -3.817 2.973 4.033 1.00 0.00 C ATOM 804 CG PHE A 53 -4.049 1.506 4.296 1.00 0.00 C ATOM 805 CD1 PHE A 53 -4.304 1.058 5.595 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.061 0.603 3.233 1.00 0.00 C ATOM 807 CE1 PHE A 53 -4.562 -0.294 5.828 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.327 -0.746 3.462 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.577 -1.199 4.761 1.00 0.00 C ATOM 0 H PHE A 53 -2.459 5.484 4.739 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.908 2.577 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.539 3.565 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.981 3.187 2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.301 1.757 6.418 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.864 0.950 2.230 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.750 -0.642 6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.340 -1.442 2.636 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.781 -2.244 4.940 1.00 0.00 H new ATOM 819 N VAL A 54 -0.676 2.848 2.783 1.00 0.00 N ATOM 820 CA VAL A 54 0.121 3.136 1.547 1.00 0.00 C ATOM 821 C VAL A 54 0.132 1.908 0.642 1.00 0.00 C ATOM 822 O VAL A 54 0.633 0.858 0.997 1.00 0.00 O ATOM 823 CB VAL A 54 1.553 3.532 1.913 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.360 3.748 0.628 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.531 4.839 2.712 1.00 0.00 C ATOM 0 H VAL A 54 -0.448 1.977 3.261 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.342 3.968 1.017 1.00 0.00 H new ATOM 0 HB VAL A 54 2.008 2.742 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.381 4.030 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.373 2.826 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.900 4.542 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.550 5.123 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.079 5.626 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.948 4.699 3.622 1.00 0.00 H new ATOM 835 N ILE A 55 -0.426 2.041 -0.531 1.00 0.00 N ATOM 836 CA ILE A 55 -0.461 0.899 -1.480 1.00 0.00 C ATOM 837 C ILE A 55 0.717 1.011 -2.447 1.00 0.00 C ATOM 838 O ILE A 55 0.643 1.691 -3.455 1.00 0.00 O ATOM 839 CB ILE A 55 -1.770 0.931 -2.274 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.954 1.074 -1.315 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.923 -0.367 -3.071 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.252 0.769 -2.068 1.00 0.00 C ATOM 0 H ILE A 55 -0.861 2.898 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.396 -0.037 -0.925 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.749 1.780 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.839 0.392 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.986 2.084 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.856 -0.340 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.085 -0.471 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.937 -1.215 -2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.099 0.869 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.366 1.469 -2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.217 -0.249 -2.456 1.00 0.00 H new ATOM 854 N SER A 56 1.796 0.342 -2.151 1.00 0.00 N ATOM 855 CA SER A 56 2.983 0.384 -3.049 1.00 0.00 C ATOM 856 C SER A 56 3.069 -0.943 -3.800 1.00 0.00 C ATOM 857 O SER A 56 2.958 -2.001 -3.214 1.00 0.00 O ATOM 858 CB SER A 56 4.250 0.590 -2.217 1.00 0.00 C ATOM 859 OG SER A 56 4.492 -0.571 -1.433 1.00 0.00 O ATOM 0 H SER A 56 1.907 -0.237 -1.318 1.00 0.00 H new ATOM 0 HA SER A 56 2.889 1.208 -3.757 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.100 0.785 -2.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.137 1.461 -1.572 1.00 0.00 H new ATOM 0 HG SER A 56 5.086 -0.344 -0.687 1.00 0.00 H new ATOM 865 N ASP A 57 3.251 -0.898 -5.089 1.00 0.00 N ATOM 866 CA ASP A 57 3.332 -2.162 -5.874 1.00 0.00 C ATOM 867 C ASP A 57 4.801 -2.493 -6.159 1.00 0.00 C ATOM 868 O ASP A 57 5.519 -1.703 -6.737 1.00 0.00 O ATOM 869 CB ASP A 57 2.586 -1.984 -7.199 1.00 0.00 C ATOM 870 CG ASP A 57 3.174 -0.794 -7.959 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.918 -0.039 -7.356 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.868 -0.657 -9.133 1.00 0.00 O ATOM 0 H ASP A 57 3.347 -0.041 -5.634 1.00 0.00 H new ATOM 0 HA ASP A 57 2.880 -2.974 -5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.669 -2.890 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.525 -1.821 -7.012 1.00 0.00 H new ATOM 877 N TRP A 58 5.252 -3.657 -5.763 1.00 0.00 N ATOM 878 CA TRP A 58 6.673 -4.041 -6.023 1.00 0.00 C ATOM 879 C TRP A 58 7.017 -3.695 -7.476 1.00 0.00 C ATOM 880 O TRP A 58 6.702 -4.429 -8.392 1.00 0.00 O ATOM 881 CB TRP A 58 6.833 -5.548 -5.790 1.00 0.00 C ATOM 882 CG TRP A 58 8.175 -5.844 -5.194 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.343 -5.853 -5.878 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.507 -6.190 -3.815 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.368 -6.183 -5.009 1.00 0.00 N ATOM 886 CE2 TRP A 58 9.904 -6.399 -3.726 1.00 0.00 C ATOM 887 CE3 TRP A 58 7.739 -6.340 -2.645 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.517 -6.747 -2.519 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.354 -6.688 -1.429 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.740 -6.891 -1.367 1.00 0.00 C ATOM 0 H TRP A 58 4.698 -4.358 -5.271 1.00 0.00 H new ATOM 0 HA TRP A 58 7.343 -3.502 -5.353 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.046 -5.905 -5.126 1.00 0.00 H new ATOM 0 HB3 TRP A 58 6.721 -6.082 -6.733 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.456 -5.638 -6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.348 -6.258 -5.283 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.671 -6.187 -2.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.585 -6.904 -2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.755 -6.800 -0.537 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.206 -7.158 -0.430 1.00 0.00 H new ATOM 901 N ASN A 59 7.633 -2.564 -7.697 1.00 0.00 N ATOM 902 CA ASN A 59 7.965 -2.154 -9.092 1.00 0.00 C ATOM 903 C ASN A 59 9.381 -2.621 -9.472 1.00 0.00 C ATOM 904 O ASN A 59 9.841 -3.646 -9.008 1.00 0.00 O ATOM 905 CB ASN A 59 7.856 -0.634 -9.203 1.00 0.00 C ATOM 906 CG ASN A 59 6.434 -0.199 -8.846 1.00 0.00 C ATOM 907 OD1 ASN A 59 5.473 -0.744 -9.355 1.00 0.00 O ATOM 908 ND2 ASN A 59 6.256 0.765 -7.986 1.00 0.00 N ATOM 0 H ASN A 59 7.920 -1.907 -6.972 1.00 0.00 H new ATOM 0 HA ASN A 59 7.263 -2.621 -9.782 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.573 -0.157 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.103 -0.314 -10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.311 1.062 -7.741 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.061 1.222 -7.559 1.00 0.00 H new ATOM 915 N MET A 60 10.052 -1.897 -10.347 1.00 0.00 N ATOM 916 CA MET A 60 11.420 -2.323 -10.801 1.00 0.00 C ATOM 917 C MET A 60 12.530 -1.252 -10.603 1.00 0.00 C ATOM 918 O MET A 60 13.674 -1.627 -10.441 1.00 0.00 O ATOM 919 CB MET A 60 11.349 -2.674 -12.287 1.00 0.00 C ATOM 920 CG MET A 60 11.911 -4.079 -12.508 1.00 0.00 C ATOM 921 SD MET A 60 10.808 -5.295 -11.743 1.00 0.00 S ATOM 922 CE MET A 60 11.143 -6.656 -12.887 1.00 0.00 C ATOM 0 H MET A 60 9.710 -1.031 -10.764 1.00 0.00 H new ATOM 0 HA MET A 60 11.698 -3.174 -10.179 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.317 -2.625 -12.634 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.916 -1.948 -12.870 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.008 -4.280 -13.575 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.909 -4.155 -12.077 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.556 -7.527 -12.598 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.872 -6.356 -13.899 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.203 -6.906 -12.854 1.00 0.00 H new ATOM 932 N PRO A 61 12.220 0.033 -10.651 1.00 0.00 N ATOM 933 CA PRO A 61 13.268 1.067 -10.511 1.00 0.00 C ATOM 934 C PRO A 61 13.946 0.973 -9.143 1.00 0.00 C ATOM 935 O PRO A 61 13.451 0.331 -8.238 1.00 0.00 O ATOM 936 CB PRO A 61 12.537 2.405 -10.680 1.00 0.00 C ATOM 937 CG PRO A 61 11.045 2.092 -10.943 1.00 0.00 C ATOM 938 CD PRO A 61 10.860 0.570 -10.826 1.00 0.00 C ATOM 0 HA PRO A 61 14.062 0.948 -11.249 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.648 3.018 -9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.961 2.971 -11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.412 2.611 -10.223 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.750 2.438 -11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.223 0.314 -9.980 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.386 0.160 -11.718 1.00 0.00 H new ATOM 946 N ASN A 62 15.083 1.606 -8.998 1.00 0.00 N ATOM 947 CA ASN A 62 15.818 1.565 -7.702 1.00 0.00 C ATOM 948 C ASN A 62 14.829 1.710 -6.546 1.00 0.00 C ATOM 949 O ASN A 62 14.675 0.821 -5.733 1.00 0.00 O ATOM 950 CB ASN A 62 16.829 2.714 -7.653 1.00 0.00 C ATOM 951 CG ASN A 62 16.605 3.646 -8.846 1.00 0.00 C ATOM 952 OD1 ASN A 62 15.397 4.053 -9.127 1.00 0.00 O flip ATOM 953 ND2 ASN A 62 17.542 4.009 -9.531 1.00 0.00 N flip ATOM 0 H ASN A 62 15.535 2.154 -9.730 1.00 0.00 H new ATOM 0 HA ASN A 62 16.342 0.613 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 62 16.720 3.268 -6.721 1.00 0.00 H new ATOM 0 HB3 ASN A 62 17.845 2.319 -7.673 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.486 3.692 -9.313 1.00 0.00 H new ATOM 0 HD22 ASN A 62 17.383 4.631 -10.324 1.00 0.00 H new ATOM 960 N MET A 63 14.148 2.818 -6.475 1.00 0.00 N ATOM 961 CA MET A 63 13.159 3.009 -5.381 1.00 0.00 C ATOM 962 C MET A 63 11.878 2.256 -5.740 1.00 0.00 C ATOM 963 O MET A 63 10.807 2.824 -5.797 1.00 0.00 O ATOM 964 CB MET A 63 12.853 4.500 -5.226 1.00 0.00 C ATOM 965 CG MET A 63 14.140 5.309 -5.404 1.00 0.00 C ATOM 966 SD MET A 63 14.135 6.709 -4.256 1.00 0.00 S ATOM 967 CE MET A 63 15.927 6.834 -4.041 1.00 0.00 C ATOM 0 H MET A 63 14.233 3.598 -7.126 1.00 0.00 H new ATOM 0 HA MET A 63 13.562 2.627 -4.443 1.00 0.00 H new ATOM 0 HB2 MET A 63 12.113 4.808 -5.964 1.00 0.00 H new ATOM 0 HB3 MET A 63 12.423 4.693 -4.243 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.008 4.677 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 63 14.218 5.667 -6.431 1.00 0.00 H new ATOM 0 HE1 MET A 63 16.155 7.651 -3.357 1.00 0.00 H new ATOM 0 HE2 MET A 63 16.310 5.900 -3.631 1.00 0.00 H new ATOM 0 HE3 MET A 63 16.397 7.027 -5.006 1.00 0.00 H new ATOM 977 N ASP A 64 11.985 0.978 -5.993 1.00 0.00 N ATOM 978 CA ASP A 64 10.779 0.185 -6.361 1.00 0.00 C ATOM 979 C ASP A 64 9.639 0.505 -5.393 1.00 0.00 C ATOM 980 O ASP A 64 8.901 1.452 -5.580 1.00 0.00 O ATOM 981 CB ASP A 64 11.106 -1.309 -6.289 1.00 0.00 C ATOM 982 CG ASP A 64 12.182 -1.547 -5.228 1.00 0.00 C ATOM 983 OD1 ASP A 64 11.923 -1.252 -4.073 1.00 0.00 O ATOM 984 OD2 ASP A 64 13.246 -2.023 -5.588 1.00 0.00 O ATOM 0 H ASP A 64 12.857 0.450 -5.960 1.00 0.00 H new ATOM 0 HA ASP A 64 10.475 0.441 -7.376 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.208 -1.877 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.453 -1.663 -7.260 1.00 0.00 H new ATOM 989 N GLY A 65 9.485 -0.278 -4.361 1.00 0.00 N ATOM 990 CA GLY A 65 8.390 -0.012 -3.388 1.00 0.00 C ATOM 991 C GLY A 65 8.821 -0.462 -1.991 1.00 0.00 C ATOM 992 O GLY A 65 8.324 0.024 -0.995 1.00 0.00 O ATOM 0 H GLY A 65 10.068 -1.088 -4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.148 1.051 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.486 -0.542 -3.689 1.00 0.00 H new ATOM 996 N LEU A 66 9.743 -1.385 -1.899 1.00 0.00 N ATOM 997 CA LEU A 66 10.186 -1.834 -0.550 1.00 0.00 C ATOM 998 C LEU A 66 10.989 -0.710 0.098 1.00 0.00 C ATOM 999 O LEU A 66 10.645 -0.226 1.155 1.00 0.00 O ATOM 1000 CB LEU A 66 11.057 -3.089 -0.658 1.00 0.00 C ATOM 1001 CG LEU A 66 10.855 -3.955 0.592 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.798 -5.159 0.540 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.158 -3.135 1.851 1.00 0.00 C ATOM 0 H LEU A 66 10.201 -1.840 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 66 9.312 -2.074 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.792 -3.653 -1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.106 -2.810 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 66 9.821 -4.297 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.653 -5.773 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.583 -5.751 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 66 12.830 -4.811 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.012 -3.757 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.190 -2.787 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.487 -2.277 1.897 1.00 0.00 H new ATOM 1015 N GLU A 67 12.050 -0.281 -0.537 1.00 0.00 N ATOM 1016 CA GLU A 67 12.863 0.827 0.041 1.00 0.00 C ATOM 1017 C GLU A 67 11.915 1.942 0.472 1.00 0.00 C ATOM 1018 O GLU A 67 12.136 2.625 1.452 1.00 0.00 O ATOM 1019 CB GLU A 67 13.834 1.359 -1.016 1.00 0.00 C ATOM 1020 CG GLU A 67 15.271 1.062 -0.587 1.00 0.00 C ATOM 1021 CD GLU A 67 16.240 1.578 -1.653 1.00 0.00 C ATOM 1022 OE1 GLU A 67 15.820 2.384 -2.467 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.386 1.160 -1.636 1.00 0.00 O ATOM 0 H GLU A 67 12.386 -0.649 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 67 13.435 0.467 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.628 0.894 -1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.696 2.433 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.481 1.537 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.405 -0.011 -0.447 1.00 0.00 H new ATOM 1030 N LEU A 68 10.843 2.111 -0.251 1.00 0.00 N ATOM 1031 CA LEU A 68 9.850 3.158 0.109 1.00 0.00 C ATOM 1032 C LEU A 68 9.203 2.771 1.434 1.00 0.00 C ATOM 1033 O LEU A 68 8.995 3.588 2.310 1.00 0.00 O ATOM 1034 CB LEU A 68 8.760 3.210 -0.966 1.00 0.00 C ATOM 1035 CG LEU A 68 9.031 4.342 -1.954 1.00 0.00 C ATOM 1036 CD1 LEU A 68 10.274 4.029 -2.796 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.820 4.495 -2.876 1.00 0.00 C ATOM 0 H LEU A 68 10.612 1.565 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 68 10.342 4.128 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.720 2.259 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.787 3.355 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 68 9.204 5.266 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.454 4.845 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.138 3.915 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.114 3.104 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.003 5.301 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.656 3.564 -3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.937 4.729 -2.281 1.00 0.00 H new ATOM 1049 N LEU A 69 8.881 1.518 1.573 1.00 0.00 N ATOM 1050 CA LEU A 69 8.236 1.035 2.819 1.00 0.00 C ATOM 1051 C LEU A 69 9.245 1.095 3.969 1.00 0.00 C ATOM 1052 O LEU A 69 8.937 1.553 5.052 1.00 0.00 O ATOM 1053 CB LEU A 69 7.738 -0.401 2.568 1.00 0.00 C ATOM 1054 CG LEU A 69 7.904 -1.309 3.790 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.088 -0.777 4.965 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.379 -2.697 3.436 1.00 0.00 C ATOM 0 H LEU A 69 9.040 0.800 0.866 1.00 0.00 H new ATOM 0 HA LEU A 69 7.387 1.660 3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.686 -0.371 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.284 -0.828 1.727 1.00 0.00 H new ATOM 0 HG LEU A 69 8.958 -1.343 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.217 -1.434 5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.429 0.226 5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.034 -0.743 4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.489 -3.358 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.326 -2.629 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.946 -3.097 2.596 1.00 0.00 H new ATOM 1068 N LYS A 70 10.451 0.649 3.743 1.00 0.00 N ATOM 1069 CA LYS A 70 11.474 0.695 4.824 1.00 0.00 C ATOM 1070 C LYS A 70 11.655 2.144 5.272 1.00 0.00 C ATOM 1071 O LYS A 70 11.923 2.421 6.424 1.00 0.00 O ATOM 1072 CB LYS A 70 12.803 0.147 4.298 1.00 0.00 C ATOM 1073 CG LYS A 70 13.820 0.087 5.440 1.00 0.00 C ATOM 1074 CD LYS A 70 14.993 -0.808 5.034 1.00 0.00 C ATOM 1075 CE LYS A 70 14.802 -2.203 5.634 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.901 -3.097 5.172 1.00 0.00 N ATOM 0 H LYS A 70 10.771 0.256 2.858 1.00 0.00 H new ATOM 0 HA LYS A 70 11.148 0.087 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.657 -0.847 3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.178 0.783 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.178 1.089 5.675 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.347 -0.302 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.056 -0.873 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.931 -0.376 5.382 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.799 -2.145 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.837 -2.611 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.772 -4.045 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.883 -3.161 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.816 -2.710 5.480 1.00 0.00 H new ATOM 1090 N THR A 71 11.500 3.074 4.370 1.00 0.00 N ATOM 1091 CA THR A 71 11.651 4.507 4.743 1.00 0.00 C ATOM 1092 C THR A 71 10.516 4.897 5.691 1.00 0.00 C ATOM 1093 O THR A 71 10.723 5.571 6.680 1.00 0.00 O ATOM 1094 CB THR A 71 11.588 5.373 3.483 1.00 0.00 C ATOM 1095 OG1 THR A 71 12.820 5.275 2.781 1.00 0.00 O ATOM 1096 CG2 THR A 71 11.336 6.830 3.876 1.00 0.00 C ATOM 0 H THR A 71 11.275 2.902 3.390 1.00 0.00 H new ATOM 0 HA THR A 71 12.611 4.661 5.236 1.00 0.00 H new ATOM 0 HB THR A 71 10.777 5.026 2.843 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.831 4.449 2.253 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.291 7.446 2.978 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.391 6.903 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.146 7.180 4.516 1.00 0.00 H new ATOM 1104 N ILE A 72 9.317 4.468 5.399 1.00 0.00 N ATOM 1105 CA ILE A 72 8.170 4.805 6.286 1.00 0.00 C ATOM 1106 C ILE A 72 8.450 4.262 7.688 1.00 0.00 C ATOM 1107 O ILE A 72 8.037 4.829 8.680 1.00 0.00 O ATOM 1108 CB ILE A 72 6.895 4.162 5.733 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.333 5.032 4.604 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.855 4.045 6.849 1.00 0.00 C ATOM 1111 CD1 ILE A 72 5.738 4.142 3.509 1.00 0.00 C ATOM 0 H ILE A 72 9.084 3.899 4.585 1.00 0.00 H new ATOM 0 HA ILE A 72 8.039 5.886 6.329 1.00 0.00 H new ATOM 0 HB ILE A 72 7.128 3.169 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.568 5.702 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.122 5.658 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.948 3.587 6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.253 3.427 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.622 5.037 7.235 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.340 4.766 2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.514 3.490 3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.936 3.535 3.929 1.00 0.00 H new ATOM 1123 N ARG A 73 9.157 3.169 7.774 1.00 0.00 N ATOM 1124 CA ARG A 73 9.476 2.584 9.106 1.00 0.00 C ATOM 1125 C ARG A 73 10.382 3.552 9.874 1.00 0.00 C ATOM 1126 O ARG A 73 10.349 3.621 11.086 1.00 0.00 O ATOM 1127 CB ARG A 73 10.202 1.248 8.904 1.00 0.00 C ATOM 1128 CG ARG A 73 9.926 0.307 10.085 1.00 0.00 C ATOM 1129 CD ARG A 73 10.525 0.884 11.373 1.00 0.00 C ATOM 1130 NE ARG A 73 10.958 -0.234 12.257 1.00 0.00 N ATOM 1131 CZ ARG A 73 10.348 -0.440 13.393 1.00 0.00 C ATOM 1132 NH1 ARG A 73 10.490 0.409 14.373 1.00 0.00 N ATOM 1133 NH2 ARG A 73 9.596 -1.496 13.547 1.00 0.00 N ATOM 0 H ARG A 73 9.529 2.654 6.976 1.00 0.00 H new ATOM 0 HA ARG A 73 8.559 2.418 9.672 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.871 0.783 7.975 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.274 1.420 8.810 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.852 0.168 10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.354 -0.675 9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.373 1.526 11.137 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.789 1.504 11.885 1.00 0.00 H new ATOM 0 HE ARG A 73 11.730 -0.838 11.975 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.078 1.234 14.252 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.013 0.248 15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.485 -2.159 12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.119 -1.658 14.434 1.00 0.00 H new ATOM 1147 N ALA A 74 11.188 4.299 9.172 1.00 0.00 N ATOM 1148 CA ALA A 74 12.099 5.265 9.850 1.00 0.00 C ATOM 1149 C ALA A 74 11.278 6.259 10.671 1.00 0.00 C ATOM 1150 O ALA A 74 11.764 6.848 11.615 1.00 0.00 O ATOM 1151 CB ALA A 74 12.900 6.025 8.795 1.00 0.00 C ATOM 0 H ALA A 74 11.256 4.282 8.154 1.00 0.00 H new ATOM 0 HA ALA A 74 12.776 4.722 10.510 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.568 6.733 9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.487 5.320 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.217 6.565 8.139 1.00 0.00 H new ATOM 1157 N ASP A 75 10.039 6.454 10.308 1.00 0.00 N ATOM 1158 CA ASP A 75 9.173 7.416 11.053 1.00 0.00 C ATOM 1159 C ASP A 75 9.382 7.251 12.561 1.00 0.00 C ATOM 1160 O ASP A 75 10.261 7.855 13.143 1.00 0.00 O ATOM 1161 CB ASP A 75 7.706 7.150 10.711 1.00 0.00 C ATOM 1162 CG ASP A 75 6.813 8.106 11.504 1.00 0.00 C ATOM 1163 OD1 ASP A 75 6.782 7.986 12.718 1.00 0.00 O ATOM 1164 OD2 ASP A 75 6.177 8.942 10.885 1.00 0.00 O ATOM 0 H ASP A 75 9.586 5.986 9.523 1.00 0.00 H new ATOM 0 HA ASP A 75 9.440 8.433 10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.541 7.285 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.449 6.117 10.946 1.00 0.00 H new ATOM 1169 N GLY A 76 8.585 6.439 13.200 1.00 0.00 N ATOM 1170 CA GLY A 76 8.744 6.244 14.669 1.00 0.00 C ATOM 1171 C GLY A 76 7.397 5.862 15.285 1.00 0.00 C ATOM 1172 O GLY A 76 7.002 4.713 15.274 1.00 0.00 O ATOM 0 H GLY A 76 7.832 5.903 12.769 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.479 5.464 14.865 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.119 7.158 15.129 1.00 0.00 H new ATOM 1176 N ALA A 77 6.687 6.816 15.825 1.00 0.00 N ATOM 1177 CA ALA A 77 5.365 6.504 16.438 1.00 0.00 C ATOM 1178 C ALA A 77 4.532 5.688 15.449 1.00 0.00 C ATOM 1179 O ALA A 77 3.611 4.991 15.829 1.00 0.00 O ATOM 1180 CB ALA A 77 4.635 7.806 16.771 1.00 0.00 C ATOM 0 H ALA A 77 6.965 7.796 15.868 1.00 0.00 H new ATOM 0 HA ALA A 77 5.512 5.930 17.353 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.668 7.577 17.219 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.232 8.388 17.473 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.484 8.382 15.858 1.00 0.00 H new ATOM 1186 N MET A 78 4.857 5.772 14.185 1.00 0.00 N ATOM 1187 CA MET A 78 4.103 5.006 13.149 1.00 0.00 C ATOM 1188 C MET A 78 5.052 4.008 12.484 1.00 0.00 C ATOM 1189 O MET A 78 4.977 3.758 11.298 1.00 0.00 O ATOM 1190 CB MET A 78 3.559 5.972 12.094 1.00 0.00 C ATOM 1191 CG MET A 78 2.303 6.659 12.632 1.00 0.00 C ATOM 1192 SD MET A 78 2.229 8.355 12.006 1.00 0.00 S ATOM 1193 CE MET A 78 2.266 9.189 13.612 1.00 0.00 C ATOM 0 H MET A 78 5.620 6.344 13.823 1.00 0.00 H new ATOM 0 HA MET A 78 3.272 4.475 13.613 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.315 6.716 11.843 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.326 5.432 11.176 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.414 6.108 12.325 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.316 6.662 13.722 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.981 10.234 13.486 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.567 8.702 14.291 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.272 9.135 14.027 1.00 0.00 H new ATOM 1203 N SER A 79 5.945 3.440 13.245 1.00 0.00 N ATOM 1204 CA SER A 79 6.906 2.459 12.669 1.00 0.00 C ATOM 1205 C SER A 79 6.150 1.217 12.193 1.00 0.00 C ATOM 1206 O SER A 79 6.746 0.230 11.809 1.00 0.00 O ATOM 1207 CB SER A 79 7.920 2.055 13.739 1.00 0.00 C ATOM 1208 OG SER A 79 9.067 2.889 13.637 1.00 0.00 O ATOM 0 H SER A 79 6.051 3.614 14.245 1.00 0.00 H new ATOM 0 HA SER A 79 7.424 2.913 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.476 2.147 14.730 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.203 1.010 13.612 1.00 0.00 H new ATOM 0 HG SER A 79 9.564 2.866 14.481 1.00 0.00 H new ATOM 1214 N ALA A 80 4.843 1.260 12.216 1.00 0.00 N ATOM 1215 CA ALA A 80 4.042 0.086 11.765 1.00 0.00 C ATOM 1216 C ALA A 80 2.893 0.564 10.877 1.00 0.00 C ATOM 1217 O ALA A 80 1.885 -0.102 10.742 1.00 0.00 O ATOM 1218 CB ALA A 80 3.474 -0.642 12.986 1.00 0.00 C ATOM 0 H ALA A 80 4.295 2.061 12.529 1.00 0.00 H new ATOM 0 HA ALA A 80 4.679 -0.594 11.200 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.888 -1.501 12.658 1.00 0.00 H new ATOM 0 HB2 ALA A 80 4.293 -0.982 13.620 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.836 0.038 13.551 1.00 0.00 H new ATOM 1224 N LEU A 81 3.035 1.711 10.265 1.00 0.00 N ATOM 1225 CA LEU A 81 1.947 2.219 9.382 1.00 0.00 C ATOM 1226 C LEU A 81 1.540 1.071 8.433 1.00 0.00 C ATOM 1227 O LEU A 81 2.400 0.518 7.776 1.00 0.00 O ATOM 1228 CB LEU A 81 2.484 3.411 8.570 1.00 0.00 C ATOM 1229 CG LEU A 81 1.329 4.321 8.080 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.843 5.738 7.774 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.720 3.748 6.794 1.00 0.00 C ATOM 0 H LEU A 81 3.854 2.314 10.339 1.00 0.00 H new ATOM 0 HA LEU A 81 1.085 2.547 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.173 3.992 9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.051 3.045 7.714 1.00 0.00 H new ATOM 0 HG LEU A 81 0.580 4.364 8.871 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.015 6.359 7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.273 6.172 8.677 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.605 5.689 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.091 4.393 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.487 3.694 6.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.331 2.749 6.989 1.00 0.00 H new ATOM 1243 N PRO A 82 0.268 0.706 8.378 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.159 -0.404 7.506 1.00 0.00 C ATOM 1245 C PRO A 82 0.228 -0.173 6.040 1.00 0.00 C ATOM 1246 O PRO A 82 -0.278 0.716 5.366 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.680 -0.474 7.653 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.109 0.626 8.653 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.837 1.333 9.145 1.00 0.00 C ATOM 0 HA PRO A 82 0.331 -1.333 7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.164 -0.323 6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.984 -1.457 8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.781 1.338 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.652 0.190 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.886 2.406 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.700 1.198 10.218 1.00 0.00 H new ATOM 1257 N VAL A 83 1.098 -1.009 5.539 1.00 0.00 N ATOM 1258 CA VAL A 83 1.511 -0.911 4.115 1.00 0.00 C ATOM 1259 C VAL A 83 0.967 -2.113 3.391 1.00 0.00 C ATOM 1260 O VAL A 83 1.328 -3.233 3.698 1.00 0.00 O ATOM 1261 CB VAL A 83 3.031 -0.950 3.974 1.00 0.00 C ATOM 1262 CG1 VAL A 83 3.402 -1.524 2.591 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.566 0.468 4.078 1.00 0.00 C ATOM 0 H VAL A 83 1.543 -1.762 6.064 1.00 0.00 H new ATOM 0 HA VAL A 83 1.135 0.028 3.709 1.00 0.00 H new ATOM 0 HB VAL A 83 3.460 -1.575 4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.487 -1.553 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.002 -2.533 2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.980 -0.892 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.651 0.456 3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.136 1.078 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.295 0.889 5.046 1.00 0.00 H new ATOM 1273 N LEU A 84 0.134 -1.909 2.424 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.383 -3.072 1.685 1.00 0.00 C ATOM 1275 C LEU A 84 0.429 -3.256 0.405 1.00 0.00 C ATOM 1276 O LEU A 84 0.007 -2.882 -0.671 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.853 -2.859 1.358 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.437 -4.134 0.751 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.401 -5.279 1.769 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -3.878 -3.863 0.352 1.00 0.00 C ATOM 0 H LEU A 84 -0.207 -0.998 2.117 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.290 -3.970 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.401 -2.591 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.963 -2.029 0.660 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.846 -4.423 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.821 -6.179 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.370 -5.469 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.987 -5.004 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.310 -4.764 -0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.451 -3.575 1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.907 -3.056 -0.380 1.00 0.00 H new ATOM 1292 N MET A 85 1.597 -3.832 0.515 1.00 0.00 N ATOM 1293 CA MET A 85 2.436 -4.041 -0.694 1.00 0.00 C ATOM 1294 C MET A 85 1.716 -5.019 -1.632 1.00 0.00 C ATOM 1295 O MET A 85 1.628 -6.198 -1.340 1.00 0.00 O ATOM 1296 CB MET A 85 3.786 -4.665 -0.302 1.00 0.00 C ATOM 1297 CG MET A 85 4.677 -3.648 0.420 1.00 0.00 C ATOM 1298 SD MET A 85 6.322 -3.636 -0.341 1.00 0.00 S ATOM 1299 CE MET A 85 5.840 -2.973 -1.954 1.00 0.00 C ATOM 0 H MET A 85 2.003 -4.165 1.389 1.00 0.00 H new ATOM 0 HA MET A 85 2.602 -3.080 -1.181 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.618 -5.527 0.343 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.294 -5.029 -1.195 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.232 -2.655 0.364 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.756 -3.903 1.477 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.163 -3.656 -2.739 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.756 -2.862 -1.993 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.310 -2.001 -2.103 1.00 0.00 H new ATOM 1309 N VAL A 86 1.202 -4.568 -2.749 1.00 0.00 N ATOM 1310 CA VAL A 86 0.509 -5.517 -3.660 1.00 0.00 C ATOM 1311 C VAL A 86 1.478 -5.976 -4.744 1.00 0.00 C ATOM 1312 O VAL A 86 2.195 -5.186 -5.320 1.00 0.00 O ATOM 1313 CB VAL A 86 -0.713 -4.865 -4.307 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -1.452 -3.981 -3.302 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.294 -4.023 -5.510 1.00 0.00 C ATOM 0 H VAL A 86 1.233 -3.598 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 86 0.170 -6.373 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.381 -5.660 -4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.318 -3.527 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.783 -4.587 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.783 -3.198 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.176 -3.566 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.394 -3.242 -5.186 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.199 -4.659 -6.245 1.00 0.00 H new ATOM 1325 N THR A 87 1.518 -7.250 -5.024 1.00 0.00 N ATOM 1326 CA THR A 87 2.466 -7.730 -6.073 1.00 0.00 C ATOM 1327 C THR A 87 1.918 -8.975 -6.772 1.00 0.00 C ATOM 1328 O THR A 87 0.871 -9.487 -6.428 1.00 0.00 O ATOM 1329 CB THR A 87 3.815 -8.061 -5.428 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.783 -8.278 -6.444 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.677 -9.319 -4.572 1.00 0.00 C ATOM 0 H THR A 87 0.947 -7.970 -4.581 1.00 0.00 H new ATOM 0 HA THR A 87 2.591 -6.941 -6.815 1.00 0.00 H new ATOM 0 HB THR A 87 4.132 -7.230 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.647 -8.488 -6.033 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.637 -9.554 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.934 -9.149 -3.792 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.361 -10.153 -5.199 1.00 0.00 H new ATOM 1339 N ALA A 88 2.641 -9.463 -7.750 1.00 0.00 N ATOM 1340 CA ALA A 88 2.209 -10.682 -8.495 1.00 0.00 C ATOM 1341 C ALA A 88 3.312 -11.738 -8.393 1.00 0.00 C ATOM 1342 O ALA A 88 4.485 -11.428 -8.433 1.00 0.00 O ATOM 1343 CB ALA A 88 1.979 -10.327 -9.966 1.00 0.00 C ATOM 0 H ALA A 88 3.524 -9.061 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 88 1.283 -11.068 -8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.664 -11.217 -10.510 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.205 -9.563 -10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.905 -9.947 -10.398 1.00 0.00 H new ATOM 1349 N GLU A 89 2.948 -12.984 -8.251 1.00 0.00 N ATOM 1350 CA GLU A 89 3.983 -14.050 -8.138 1.00 0.00 C ATOM 1351 C GLU A 89 4.730 -13.886 -6.812 1.00 0.00 C ATOM 1352 O GLU A 89 5.918 -14.123 -6.720 1.00 0.00 O ATOM 1353 CB GLU A 89 4.972 -13.930 -9.299 1.00 0.00 C ATOM 1354 CG GLU A 89 5.385 -15.327 -9.764 1.00 0.00 C ATOM 1355 CD GLU A 89 6.411 -15.208 -10.892 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.002 -14.952 -12.013 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.587 -15.374 -10.617 1.00 0.00 O ATOM 0 H GLU A 89 1.982 -13.308 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 89 3.505 -15.029 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.517 -13.381 -10.123 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.850 -13.365 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.808 -15.888 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.511 -15.880 -10.110 1.00 0.00 H new ATOM 1364 N ALA A 90 4.037 -13.476 -5.785 1.00 0.00 N ATOM 1365 CA ALA A 90 4.691 -13.288 -4.459 1.00 0.00 C ATOM 1366 C ALA A 90 5.587 -14.490 -4.144 1.00 0.00 C ATOM 1367 O ALA A 90 5.160 -15.627 -4.197 1.00 0.00 O ATOM 1368 CB ALA A 90 3.612 -13.161 -3.386 1.00 0.00 C ATOM 0 H ALA A 90 3.040 -13.262 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 90 5.302 -12.386 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.082 -13.023 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.978 -12.303 -3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.005 -14.066 -3.371 1.00 0.00 H new ATOM 1374 N LYS A 91 6.829 -14.247 -3.817 1.00 0.00 N ATOM 1375 CA LYS A 91 7.753 -15.366 -3.499 1.00 0.00 C ATOM 1376 C LYS A 91 7.567 -15.781 -2.036 1.00 0.00 C ATOM 1377 O LYS A 91 6.458 -15.932 -1.561 1.00 0.00 O ATOM 1378 CB LYS A 91 9.191 -14.897 -3.721 1.00 0.00 C ATOM 1379 CG LYS A 91 9.387 -14.525 -5.192 1.00 0.00 C ATOM 1380 CD LYS A 91 10.741 -13.832 -5.365 1.00 0.00 C ATOM 1381 CE LYS A 91 10.554 -12.317 -5.265 1.00 0.00 C ATOM 1382 NZ LYS A 91 9.937 -11.809 -6.522 1.00 0.00 N ATOM 0 H LYS A 91 7.241 -13.316 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 91 7.540 -16.219 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.406 -14.038 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.889 -15.685 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.342 -15.419 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.584 -13.866 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.437 -14.175 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.175 -14.093 -6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.921 -12.074 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.515 -11.831 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.157 -10.799 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.317 -12.337 -7.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.906 -11.936 -6.478 1.00 0.00 H new ATOM 1396 N LYS A 92 8.642 -15.963 -1.315 1.00 0.00 N ATOM 1397 CA LYS A 92 8.522 -16.363 0.117 1.00 0.00 C ATOM 1398 C LYS A 92 9.688 -15.765 0.907 1.00 0.00 C ATOM 1399 O LYS A 92 9.579 -15.499 2.089 1.00 0.00 O ATOM 1400 CB LYS A 92 8.548 -17.892 0.231 1.00 0.00 C ATOM 1401 CG LYS A 92 9.937 -18.425 -0.151 1.00 0.00 C ATOM 1402 CD LYS A 92 10.764 -18.718 1.110 1.00 0.00 C ATOM 1403 CE LYS A 92 10.467 -20.137 1.600 1.00 0.00 C ATOM 1404 NZ LYS A 92 11.018 -20.312 2.975 1.00 0.00 N ATOM 0 H LYS A 92 9.597 -15.852 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 92 7.580 -15.992 0.522 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.302 -18.193 1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.791 -18.326 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.834 -19.333 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.456 -17.695 -0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.827 -18.612 0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.525 -17.995 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.392 -20.315 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.910 -20.867 0.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.817 -21.276 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.046 -20.159 2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.575 -19.624 3.617 1.00 0.00 H new ATOM 1418 N GLU A 93 10.806 -15.556 0.267 1.00 0.00 N ATOM 1419 CA GLU A 93 11.976 -14.987 0.975 1.00 0.00 C ATOM 1420 C GLU A 93 11.912 -13.458 0.941 1.00 0.00 C ATOM 1421 O GLU A 93 12.393 -12.789 1.834 1.00 0.00 O ATOM 1422 CB GLU A 93 13.264 -15.461 0.296 1.00 0.00 C ATOM 1423 CG GLU A 93 13.228 -15.090 -1.187 1.00 0.00 C ATOM 1424 CD GLU A 93 13.460 -16.343 -2.033 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.477 -16.989 -1.834 1.00 0.00 O ATOM 1426 OE2 GLU A 93 12.616 -16.639 -2.863 1.00 0.00 O ATOM 0 H GLU A 93 10.955 -15.758 -0.722 1.00 0.00 H new ATOM 0 HA GLU A 93 11.966 -15.322 2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.129 -15.003 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.371 -16.540 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.266 -14.642 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.993 -14.345 -1.405 1.00 0.00 H new ATOM 1433 N ASN A 94 11.324 -12.898 -0.081 1.00 0.00 N ATOM 1434 CA ASN A 94 11.235 -11.412 -0.163 1.00 0.00 C ATOM 1435 C ASN A 94 10.098 -10.919 0.733 1.00 0.00 C ATOM 1436 O ASN A 94 10.192 -9.881 1.357 1.00 0.00 O ATOM 1437 CB ASN A 94 10.965 -10.990 -1.608 1.00 0.00 C ATOM 1438 CG ASN A 94 12.287 -10.639 -2.295 1.00 0.00 C ATOM 1439 OD1 ASN A 94 13.297 -11.268 -2.049 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.323 -9.656 -3.152 1.00 0.00 N ATOM 0 H ASN A 94 10.903 -13.403 -0.860 1.00 0.00 H new ATOM 0 HA ASN A 94 12.177 -10.976 0.170 1.00 0.00 H new ATOM 0 HB2 ASN A 94 10.467 -11.796 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.294 -10.131 -1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.199 -9.415 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.475 -9.128 -3.358 1.00 0.00 H new ATOM 1447 N ILE A 95 9.027 -11.659 0.806 1.00 0.00 N ATOM 1448 CA ILE A 95 7.888 -11.233 1.666 1.00 0.00 C ATOM 1449 C ILE A 95 8.341 -11.235 3.129 1.00 0.00 C ATOM 1450 O ILE A 95 7.621 -10.817 4.015 1.00 0.00 O ATOM 1451 CB ILE A 95 6.712 -12.201 1.485 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.325 -12.270 0.004 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.508 -11.707 2.291 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.439 -13.495 -0.240 1.00 0.00 C ATOM 0 H ILE A 95 8.891 -12.539 0.308 1.00 0.00 H new ATOM 0 HA ILE A 95 7.567 -10.231 1.382 1.00 0.00 H new ATOM 0 HB ILE A 95 7.008 -13.190 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.796 -11.362 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.221 -12.328 -0.614 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.675 -12.397 2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.774 -11.655 3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.217 -10.717 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.165 -13.542 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.984 -14.398 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.536 -13.418 0.366 1.00 0.00 H new ATOM 1466 N ILE A 96 9.536 -11.700 3.387 1.00 0.00 N ATOM 1467 CA ILE A 96 10.044 -11.724 4.789 1.00 0.00 C ATOM 1468 C ILE A 96 10.767 -10.412 5.088 1.00 0.00 C ATOM 1469 O ILE A 96 10.411 -9.689 5.996 1.00 0.00 O ATOM 1470 CB ILE A 96 11.017 -12.889 4.965 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.231 -14.178 5.216 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.932 -12.613 6.160 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.167 -15.381 5.085 1.00 0.00 C ATOM 0 H ILE A 96 10.182 -12.064 2.686 1.00 0.00 H new ATOM 0 HA ILE A 96 9.206 -11.847 5.475 1.00 0.00 H new ATOM 0 HB ILE A 96 11.618 -12.998 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.786 -14.157 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.412 -14.262 4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.626 -13.444 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.493 -11.695 5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.330 -12.504 7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.607 -16.299 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.591 -15.404 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 96 11.971 -15.298 5.817 1.00 0.00 H new ATOM 1485 N ALA A 97 11.781 -10.104 4.325 1.00 0.00 N ATOM 1486 CA ALA A 97 12.536 -8.836 4.551 1.00 0.00 C ATOM 1487 C ALA A 97 11.548 -7.701 4.770 1.00 0.00 C ATOM 1488 O ALA A 97 11.526 -7.073 5.811 1.00 0.00 O ATOM 1489 CB ALA A 97 13.400 -8.532 3.326 1.00 0.00 C ATOM 0 H ALA A 97 12.121 -10.677 3.553 1.00 0.00 H new ATOM 0 HA ALA A 97 13.176 -8.940 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.951 -7.606 3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.103 -9.349 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.762 -8.423 2.449 1.00 0.00 H new ATOM 1495 N ALA A 98 10.720 -7.438 3.804 1.00 0.00 N ATOM 1496 CA ALA A 98 9.723 -6.352 3.967 1.00 0.00 C ATOM 1497 C ALA A 98 9.013 -6.534 5.308 1.00 0.00 C ATOM 1498 O ALA A 98 8.758 -5.587 6.022 1.00 0.00 O ATOM 1499 CB ALA A 98 8.701 -6.422 2.831 1.00 0.00 C ATOM 0 H ALA A 98 10.691 -7.928 2.910 1.00 0.00 H new ATOM 0 HA ALA A 98 10.221 -5.383 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.968 -5.624 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.211 -6.306 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.194 -7.387 2.857 1.00 0.00 H new ATOM 1505 N ALA A 99 8.681 -7.745 5.656 1.00 0.00 N ATOM 1506 CA ALA A 99 7.982 -7.980 6.946 1.00 0.00 C ATOM 1507 C ALA A 99 8.706 -7.224 8.062 1.00 0.00 C ATOM 1508 O ALA A 99 8.100 -6.518 8.842 1.00 0.00 O ATOM 1509 CB ALA A 99 7.981 -9.474 7.262 1.00 0.00 C ATOM 0 H ALA A 99 8.864 -8.582 5.102 1.00 0.00 H new ATOM 0 HA ALA A 99 6.954 -7.625 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.468 -9.645 8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.466 -10.014 6.467 1.00 0.00 H new ATOM 0 HB3 ALA A 99 9.008 -9.831 7.336 1.00 0.00 H new ATOM 1515 N GLN A 100 9.999 -7.366 8.139 1.00 0.00 N ATOM 1516 CA GLN A 100 10.763 -6.655 9.200 1.00 0.00 C ATOM 1517 C GLN A 100 10.487 -5.152 9.099 1.00 0.00 C ATOM 1518 O GLN A 100 10.549 -4.434 10.077 1.00 0.00 O ATOM 1519 CB GLN A 100 12.259 -6.923 9.015 1.00 0.00 C ATOM 1520 CG GLN A 100 12.565 -8.386 9.352 1.00 0.00 C ATOM 1521 CD GLN A 100 13.249 -9.055 8.158 1.00 0.00 C ATOM 1522 OE1 GLN A 100 12.666 -9.899 7.507 1.00 0.00 O ATOM 1523 NE2 GLN A 100 14.468 -8.716 7.845 1.00 0.00 N ATOM 0 H GLN A 100 10.560 -7.944 7.513 1.00 0.00 H new ATOM 0 HA GLN A 100 10.454 -7.014 10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.553 -6.707 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.839 -6.262 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 100 13.208 -8.441 10.230 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.644 -8.913 9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 100 14.957 -8.007 8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.933 -9.159 7.053 1.00 0.00 H new ATOM 1532 N ALA A 101 10.176 -4.672 7.926 1.00 0.00 N ATOM 1533 CA ALA A 101 9.891 -3.212 7.772 1.00 0.00 C ATOM 1534 C ALA A 101 8.474 -2.908 8.282 1.00 0.00 C ATOM 1535 O ALA A 101 8.219 -2.893 9.470 1.00 0.00 O ATOM 1536 CB ALA A 101 10.006 -2.810 6.292 1.00 0.00 C ATOM 0 H ALA A 101 10.106 -5.222 7.070 1.00 0.00 H new ATOM 0 HA ALA A 101 10.615 -2.642 8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.797 -1.745 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.015 -3.019 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.288 -3.380 5.703 1.00 0.00 H new ATOM 1542 N GLY A 102 7.554 -2.665 7.388 1.00 0.00 N ATOM 1543 CA GLY A 102 6.154 -2.361 7.791 1.00 0.00 C ATOM 1544 C GLY A 102 5.205 -2.951 6.747 1.00 0.00 C ATOM 1545 O GLY A 102 4.023 -2.672 6.723 1.00 0.00 O ATOM 0 H GLY A 102 7.717 -2.665 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.944 -2.782 8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.008 -1.284 7.868 1.00 0.00 H new ATOM 1549 N ALA A 103 5.743 -3.777 5.895 1.00 0.00 N ATOM 1550 CA ALA A 103 4.963 -4.458 4.815 1.00 0.00 C ATOM 1551 C ALA A 103 3.800 -5.251 5.405 1.00 0.00 C ATOM 1552 O ALA A 103 3.220 -6.086 4.741 1.00 0.00 O ATOM 1553 CB ALA A 103 5.881 -5.392 4.040 1.00 0.00 C ATOM 0 H ALA A 103 6.734 -4.020 5.901 1.00 0.00 H new ATOM 0 HA ALA A 103 4.558 -3.700 4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.314 -5.889 3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.693 -4.817 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.294 -6.140 4.717 1.00 0.00 H new ATOM 1559 N SER A 104 3.525 -5.041 6.663 1.00 0.00 N ATOM 1560 CA SER A 104 2.449 -5.803 7.384 1.00 0.00 C ATOM 1561 C SER A 104 1.329 -6.236 6.436 1.00 0.00 C ATOM 1562 O SER A 104 0.710 -7.261 6.644 1.00 0.00 O ATOM 1563 CB SER A 104 1.836 -4.899 8.458 1.00 0.00 C ATOM 1564 OG SER A 104 2.601 -5.002 9.652 1.00 0.00 O ATOM 0 H SER A 104 4.011 -4.356 7.242 1.00 0.00 H new ATOM 0 HA SER A 104 2.904 -6.693 7.819 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.818 -3.865 8.112 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.803 -5.190 8.648 1.00 0.00 H new ATOM 0 HG SER A 104 2.212 -4.423 10.341 1.00 0.00 H new ATOM 1570 N GLY A 105 1.073 -5.487 5.397 1.00 0.00 N ATOM 1571 CA GLY A 105 0.003 -5.882 4.440 1.00 0.00 C ATOM 1572 C GLY A 105 0.619 -6.292 3.102 1.00 0.00 C ATOM 1573 O GLY A 105 1.376 -5.559 2.497 1.00 0.00 O ATOM 0 H GLY A 105 1.559 -4.619 5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.576 -6.709 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.688 -5.052 4.292 1.00 0.00 H new ATOM 1577 N TYR A 106 0.276 -7.458 2.630 1.00 0.00 N ATOM 1578 CA TYR A 106 0.799 -7.930 1.318 1.00 0.00 C ATOM 1579 C TYR A 106 -0.320 -8.678 0.614 1.00 0.00 C ATOM 1580 O TYR A 106 -0.722 -9.746 1.035 1.00 0.00 O ATOM 1581 CB TYR A 106 1.997 -8.864 1.503 1.00 0.00 C ATOM 1582 CG TYR A 106 1.855 -10.065 0.583 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.846 -9.902 -0.816 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.736 -11.350 1.130 1.00 0.00 C ATOM 1585 CE1 TYR A 106 1.716 -11.022 -1.648 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.608 -12.462 0.295 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.598 -12.301 -1.091 1.00 0.00 C ATOM 1588 OH TYR A 106 1.464 -13.403 -1.908 1.00 0.00 O ATOM 0 H TYR A 106 -0.350 -8.110 3.102 1.00 0.00 H new ATOM 0 HA TYR A 106 1.131 -7.074 0.731 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.923 -8.332 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.057 -9.193 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.939 -8.916 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.743 -11.481 2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.707 -10.898 -2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.517 -13.449 0.723 1.00 0.00 H new ATOM 0 HH TYR A 106 1.395 -14.211 -1.358 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.828 -8.120 -0.445 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.938 -8.782 -1.187 1.00 0.00 C ATOM 1600 C VAL A 107 -1.476 -9.100 -2.599 1.00 0.00 C ATOM 1601 O VAL A 107 -1.090 -8.226 -3.345 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.138 -7.837 -1.258 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.732 -6.554 -1.986 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.272 -8.514 -2.027 1.00 0.00 C ATOM 0 H VAL A 107 -0.522 -7.228 -0.833 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.222 -9.700 -0.673 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.472 -7.596 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.586 -5.879 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.919 -6.070 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.401 -6.798 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.129 -7.842 -2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.936 -8.752 -3.036 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.561 -9.432 -1.515 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.513 -10.333 -2.991 1.00 0.00 N ATOM 1615 CA VAL A 108 -1.077 -10.640 -4.369 1.00 0.00 C ATOM 1616 C VAL A 108 -1.878 -9.729 -5.312 1.00 0.00 C ATOM 1617 O VAL A 108 -2.786 -9.049 -4.882 1.00 0.00 O ATOM 1618 CB VAL A 108 -1.359 -12.110 -4.690 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -0.255 -12.656 -5.595 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -1.395 -12.915 -3.389 1.00 0.00 C ATOM 0 H VAL A 108 -1.820 -11.128 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.007 -10.469 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.319 -12.194 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.456 -13.703 -5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.226 -12.082 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.706 -12.574 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.596 -13.962 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.434 -12.831 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.181 -12.526 -2.742 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.565 -9.695 -6.580 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.337 -8.806 -7.506 1.00 0.00 C ATOM 1632 C LYS A 109 -2.404 -9.470 -8.896 1.00 0.00 C ATOM 1633 O LYS A 109 -1.543 -10.265 -9.218 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.629 -7.439 -7.589 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.864 -7.287 -8.913 1.00 0.00 C ATOM 1636 CD LYS A 109 -0.018 -6.014 -8.859 1.00 0.00 C ATOM 1637 CE LYS A 109 0.589 -5.746 -10.237 1.00 0.00 C ATOM 1638 NZ LYS A 109 1.338 -4.459 -10.207 1.00 0.00 N ATOM 0 H LYS A 109 -0.817 -10.236 -7.014 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.352 -8.656 -7.138 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.365 -6.640 -7.497 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.938 -7.333 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.227 -8.155 -9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.563 -7.239 -9.748 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.633 -5.169 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.773 -6.121 -8.116 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.256 -6.561 -10.517 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.197 -5.704 -10.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 1.751 -4.276 -11.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.689 -3.685 -9.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.097 -4.516 -9.499 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.387 -9.118 -9.709 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.465 -8.155 -9.370 1.00 0.00 C ATOM 1654 C PRO A 110 -5.455 -8.788 -8.381 1.00 0.00 C ATOM 1655 O PRO A 110 -5.427 -9.980 -8.149 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.183 -7.891 -10.701 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.493 -8.755 -11.786 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.461 -9.646 -11.080 1.00 0.00 C ATOM 0 HA PRO A 110 -4.071 -7.249 -8.910 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.240 -8.147 -10.623 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.129 -6.834 -10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.226 -9.363 -12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.008 -8.122 -12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.770 -10.691 -11.086 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.491 -9.598 -11.576 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.321 -7.998 -7.798 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.308 -8.551 -6.821 1.00 0.00 C ATOM 1668 C PHE A 111 -8.696 -7.995 -7.095 1.00 0.00 C ATOM 1669 O PHE A 111 -8.864 -6.916 -7.626 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.921 -8.142 -5.394 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.400 -6.730 -5.412 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.286 -5.658 -5.582 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.032 -6.495 -5.300 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.792 -4.352 -5.639 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.539 -5.191 -5.365 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.418 -4.118 -5.537 1.00 0.00 C ATOM 0 H PHE A 111 -6.387 -6.993 -7.957 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.307 -9.636 -6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.785 -8.216 -4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.162 -8.818 -5.002 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.347 -5.840 -5.669 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.352 -7.323 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.473 -3.523 -5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.477 -5.011 -5.282 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.036 -3.109 -5.591 1.00 0.00 H new ATOM 1686 N THR A 112 -9.689 -8.716 -6.684 1.00 0.00 N ATOM 1687 CA THR A 112 -11.081 -8.235 -6.844 1.00 0.00 C ATOM 1688 C THR A 112 -11.442 -7.515 -5.547 1.00 0.00 C ATOM 1689 O THR A 112 -10.907 -7.824 -4.501 1.00 0.00 O ATOM 1690 CB THR A 112 -12.025 -9.421 -7.063 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.264 -10.573 -7.396 1.00 0.00 O ATOM 1692 CG2 THR A 112 -12.994 -9.098 -8.202 1.00 0.00 C ATOM 0 H THR A 112 -9.597 -9.629 -6.239 1.00 0.00 H new ATOM 0 HA THR A 112 -11.173 -7.572 -7.704 1.00 0.00 H new ATOM 0 HB THR A 112 -12.591 -9.611 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.866 -11.334 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.666 -9.942 -8.358 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.576 -8.213 -7.944 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.431 -8.908 -9.116 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.316 -6.552 -5.592 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.664 -5.822 -4.338 1.00 0.00 C ATOM 1702 C ALA A 113 -12.921 -6.822 -3.214 1.00 0.00 C ATOM 1703 O ALA A 113 -12.535 -6.604 -2.083 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.908 -4.962 -4.565 1.00 0.00 C ATOM 0 H ALA A 113 -12.802 -6.239 -6.432 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.832 -5.175 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -14.157 -4.432 -3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.712 -4.241 -5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.744 -5.600 -4.853 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.545 -7.924 -3.508 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.786 -8.922 -2.437 1.00 0.00 C ATOM 1712 C ALA A 114 -12.437 -9.492 -2.011 1.00 0.00 C ATOM 1713 O ALA A 114 -12.189 -9.719 -0.843 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.689 -10.042 -2.958 1.00 0.00 C ATOM 0 H ALA A 114 -13.895 -8.175 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 114 -14.282 -8.452 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.860 -10.770 -2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.643 -9.622 -3.277 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.208 -10.533 -3.804 1.00 0.00 H new ATOM 1720 N THR A 115 -11.549 -9.695 -2.945 1.00 0.00 N ATOM 1721 CA THR A 115 -10.208 -10.214 -2.575 1.00 0.00 C ATOM 1722 C THR A 115 -9.506 -9.139 -1.748 1.00 0.00 C ATOM 1723 O THR A 115 -9.254 -9.340 -0.576 1.00 0.00 O ATOM 1724 CB THR A 115 -9.405 -10.531 -3.831 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.959 -11.673 -4.467 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.947 -10.807 -3.457 1.00 0.00 C ATOM 0 H THR A 115 -11.695 -9.525 -3.940 1.00 0.00 H new ATOM 0 HA THR A 115 -10.299 -11.133 -1.997 1.00 0.00 H new ATOM 0 HB THR A 115 -9.444 -9.680 -4.511 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.446 -11.878 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.377 -11.033 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.524 -9.928 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.901 -11.656 -2.776 1.00 0.00 H new ATOM 1734 N LEU A 116 -9.202 -7.987 -2.328 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.545 -6.918 -1.523 1.00 0.00 C ATOM 1736 C LEU A 116 -9.232 -6.845 -0.151 1.00 0.00 C ATOM 1737 O LEU A 116 -8.586 -6.825 0.878 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.727 -5.555 -2.214 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.407 -4.738 -2.249 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -7.688 -3.247 -2.506 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -6.656 -4.831 -0.924 1.00 0.00 C ATOM 0 H LEU A 116 -9.381 -7.755 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.484 -7.146 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.084 -5.710 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.493 -4.983 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.806 -5.162 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.747 -2.697 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.195 -3.132 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.321 -2.854 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.737 -4.247 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.282 -4.439 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.411 -5.873 -0.717 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.542 -6.799 -0.134 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.267 -6.715 1.159 1.00 0.00 C ATOM 1755 C GLU A 117 -10.959 -7.946 2.014 1.00 0.00 C ATOM 1756 O GLU A 117 -10.848 -7.865 3.221 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.772 -6.643 0.891 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.517 -6.449 2.214 1.00 0.00 C ATOM 1759 CD GLU A 117 -14.444 -7.642 2.455 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.994 -8.603 3.058 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.587 -7.575 2.032 1.00 0.00 O ATOM 0 H GLU A 117 -11.135 -6.816 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.945 -5.822 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.992 -5.819 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.109 -7.557 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.805 -6.356 3.034 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.095 -5.525 2.187 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.828 -9.087 1.397 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.537 -10.329 2.168 1.00 0.00 C ATOM 1770 C GLU A 118 -9.245 -10.157 2.971 1.00 0.00 C ATOM 1771 O GLU A 118 -9.102 -10.689 4.054 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.379 -11.502 1.198 1.00 0.00 C ATOM 1773 CG GLU A 118 -10.392 -12.819 1.976 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.834 -13.311 2.124 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.483 -12.905 3.074 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -12.263 -14.087 1.287 1.00 0.00 O ATOM 0 H GLU A 118 -10.910 -9.214 0.388 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.361 -10.525 2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.187 -11.493 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.445 -11.405 0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.793 -13.567 1.456 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.942 -12.677 2.959 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.298 -9.428 2.449 1.00 0.00 N ATOM 1784 CA LYS A 119 -7.014 -9.238 3.186 1.00 0.00 C ATOM 1785 C LYS A 119 -7.105 -8.004 4.090 1.00 0.00 C ATOM 1786 O LYS A 119 -6.565 -7.980 5.179 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.876 -9.047 2.182 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.653 -9.850 2.630 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.868 -11.333 2.316 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.073 -11.711 1.066 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.304 -13.148 0.745 1.00 0.00 N ATOM 0 H LYS A 119 -8.356 -8.956 1.547 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.822 -10.118 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.194 -9.372 1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.621 -7.990 2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.760 -9.486 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.488 -9.715 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.550 -11.944 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.928 -11.532 2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.377 -11.086 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.011 -11.530 1.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.763 -13.405 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.993 -13.737 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.317 -13.307 0.572 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.772 -6.975 3.645 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.879 -5.743 4.477 1.00 0.00 C ATOM 1807 C LEU A 120 -8.517 -6.071 5.829 1.00 0.00 C ATOM 1808 O LEU A 120 -7.882 -5.987 6.861 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.738 -4.706 3.749 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.453 -3.320 4.329 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -7.431 -2.599 3.450 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.747 -2.505 4.376 1.00 0.00 C ATOM 0 H LEU A 120 -8.247 -6.934 2.743 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.879 -5.342 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.518 -4.719 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.795 -4.949 3.860 1.00 0.00 H new ATOM 0 HG LEU A 120 -8.056 -3.427 5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.228 -1.611 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -6.507 -3.176 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -7.828 -2.495 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.541 -1.518 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.147 -2.399 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -10.476 -3.016 5.004 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.770 -6.434 5.834 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.452 -6.754 7.121 1.00 0.00 C ATOM 1826 C ASN A 121 -9.564 -7.661 7.976 1.00 0.00 C ATOM 1827 O ASN A 121 -9.633 -7.648 9.188 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.772 -7.470 6.832 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.891 -6.836 7.662 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -13.527 -5.898 7.229 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.157 -7.315 8.847 1.00 0.00 N ATOM 0 H ASN A 121 -10.352 -6.523 5.001 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.643 -5.827 7.661 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -12.010 -7.402 5.770 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.683 -8.530 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.900 -6.901 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.622 -8.104 9.210 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.736 -8.454 7.356 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.856 -9.368 8.139 1.00 0.00 C ATOM 1840 C LYS A 122 -6.760 -8.567 8.846 1.00 0.00 C ATOM 1841 O LYS A 122 -6.326 -8.915 9.926 1.00 0.00 O ATOM 1842 CB LYS A 122 -7.217 -10.390 7.197 1.00 0.00 C ATOM 1843 CG LYS A 122 -7.995 -11.707 7.268 1.00 0.00 C ATOM 1844 CD LYS A 122 -9.473 -11.447 6.962 1.00 0.00 C ATOM 1845 CE LYS A 122 -10.055 -12.639 6.199 1.00 0.00 C ATOM 1846 NZ LYS A 122 -9.923 -13.871 7.027 1.00 0.00 N ATOM 0 H LYS A 122 -8.630 -8.510 6.343 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.456 -9.885 8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.218 -10.009 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -6.176 -10.555 7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -7.586 -12.422 6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -7.891 -12.150 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -10.025 -11.291 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -9.578 -10.537 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -11.104 -12.457 5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.533 -12.768 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -10.544 -14.613 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -8.937 -14.200 7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -10.196 -13.661 8.008 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.304 -7.501 8.249 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.231 -6.690 8.897 1.00 0.00 C ATOM 1862 C ILE A 123 -5.834 -5.782 9.967 1.00 0.00 C ATOM 1863 O ILE A 123 -5.279 -5.611 11.033 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.541 -5.815 7.850 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.519 -6.658 7.078 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.832 -4.649 8.557 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.925 -5.841 5.926 1.00 0.00 C ATOM 0 H ILE A 123 -6.625 -7.156 7.344 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.510 -7.369 9.352 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.278 -5.419 7.151 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.725 -6.985 7.749 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.997 -7.556 6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.338 -4.021 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.565 -4.056 9.105 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -3.090 -5.042 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -2.200 -6.449 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.722 -5.536 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.430 -4.956 6.325 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.950 -5.175 9.681 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.563 -4.255 10.670 1.00 0.00 C ATOM 1881 C PHE A 124 -7.945 -5.010 11.940 1.00 0.00 C ATOM 1882 O PHE A 124 -8.509 -4.450 12.859 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.775 -3.582 10.039 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.271 -2.429 9.210 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.660 -2.679 7.976 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.381 -1.118 9.686 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.159 -1.619 7.217 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.882 -0.056 8.922 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.270 -0.308 7.689 1.00 0.00 C ATOM 0 H PHE A 124 -7.462 -5.277 8.805 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.842 -3.488 10.953 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.326 -4.288 9.418 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.462 -3.230 10.808 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.576 -3.692 7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.849 -0.926 10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -6.686 -1.812 6.266 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.969 0.958 9.284 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.883 0.511 7.101 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.606 -6.266 12.022 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.914 -7.027 13.258 1.00 0.00 C ATOM 1901 C GLU A 125 -6.816 -6.711 14.270 1.00 0.00 C ATOM 1902 O GLU A 125 -7.031 -6.715 15.466 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.938 -8.528 12.958 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.371 -8.963 12.653 1.00 0.00 C ATOM 1905 CD GLU A 125 -10.186 -8.985 13.948 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.626 -8.655 14.981 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.354 -9.332 13.885 1.00 0.00 O ATOM 0 H GLU A 125 -7.132 -6.794 11.289 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.892 -6.747 13.651 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.291 -8.751 12.110 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.551 -9.086 13.810 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -9.825 -8.278 11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.372 -9.951 12.194 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.644 -6.405 13.784 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.525 -6.048 14.695 1.00 0.00 C ATOM 1916 C LYS A 126 -4.612 -4.550 14.978 1.00 0.00 C ATOM 1917 O LYS A 126 -4.322 -4.091 16.065 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.188 -6.365 14.019 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.026 -7.880 13.886 1.00 0.00 C ATOM 1920 CD LYS A 126 -1.662 -8.194 13.267 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.835 -9.201 12.130 1.00 0.00 C ATOM 1922 NZ LYS A 126 -0.506 -9.503 11.527 1.00 0.00 N ATOM 0 H LYS A 126 -5.415 -6.387 12.790 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.593 -6.617 15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.146 -5.897 13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.366 -5.951 14.604 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.111 -8.353 14.864 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.822 -8.289 13.264 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.203 -7.280 12.890 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.991 -8.598 14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -2.292 -10.116 12.507 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.507 -8.798 11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.623 -10.188 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.087 -8.627 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.121 -9.905 12.253 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.030 -3.786 14.003 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.161 -2.319 14.206 1.00 0.00 C ATOM 1938 C LEU A 127 -6.228 -2.075 15.275 1.00 0.00 C ATOM 1939 O LEU A 127 -6.173 -1.114 16.016 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.578 -1.652 12.881 1.00 0.00 C ATOM 1941 CG LEU A 127 -4.982 -0.239 12.769 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.387 0.593 13.987 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.452 -0.314 12.685 1.00 0.00 C ATOM 0 H LEU A 127 -5.286 -4.119 13.073 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.211 -1.893 14.528 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.243 -2.261 12.041 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.665 -1.599 12.822 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.365 0.232 11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.962 1.593 13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.474 0.663 14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.014 0.116 14.894 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.042 0.693 12.606 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.062 -0.795 13.582 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.164 -0.893 11.808 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.195 -2.950 15.370 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.258 -2.775 16.400 1.00 0.00 C ATOM 1957 C GLY A 128 -9.097 -1.541 16.067 1.00 0.00 C ATOM 1958 O GLY A 128 -8.948 -0.495 16.667 1.00 0.00 O ATOM 0 H GLY A 128 -7.293 -3.776 14.780 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.893 -3.660 16.436 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -7.808 -2.666 17.387 1.00 0.00 H new ATOM 1962 N MET A 129 -9.980 -1.655 15.114 1.00 0.00 N ATOM 1963 CA MET A 129 -10.830 -0.491 14.742 1.00 0.00 C ATOM 1964 C MET A 129 -12.111 -0.505 15.582 1.00 0.00 C ATOM 1965 O MET A 129 -12.263 -1.418 16.378 1.00 0.00 O ATOM 1966 CB MET A 129 -11.193 -0.576 13.259 1.00 0.00 C ATOM 1967 CG MET A 129 -11.242 -2.043 12.828 1.00 0.00 C ATOM 1968 SD MET A 129 -12.321 -2.967 13.950 1.00 0.00 S ATOM 1969 CE MET A 129 -13.446 -3.622 12.694 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.915 0.396 15.414 1.00 0.00 O ATOM 0 H MET A 129 -10.149 -2.505 14.577 1.00 0.00 H new ATOM 0 HA MET A 129 -10.282 0.432 14.929 1.00 0.00 H new ATOM 0 HB2 MET A 129 -12.158 -0.102 13.082 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.458 -0.035 12.662 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.611 -2.120 11.805 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.239 -2.470 12.838 1.00 0.00 H new ATOM 0 HE1 MET A 129 -14.209 -4.235 13.173 1.00 0.00 H new ATOM 0 HE2 MET A 129 -13.923 -2.796 12.167 1.00 0.00 H new ATOM 0 HE3 MET A 129 -12.885 -4.230 11.984 1.00 0.00 H new