USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 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 25 GLN : amide:sc= -0.873 K(o=-4.1,f=-13!) USER MOD Set 1.2: A 37 MET CE :methyl -161:sc= -3.25! (180deg=-6.33!) USER MOD Set 2.1: A 7 ASN : amide:sc= -1.52 K(o=-2.3,f=-1.4) USER MOD Set 2.2: A 8 LYS NZ :NH3+ -149:sc= -0.824 (180deg=-1.69!) USER MOD Set 2.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0193 (180deg=-0.171) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.14 X(o=0.14,f=0) USER MOD Single : A 24 GLN : amide:sc= -3.55 K(o=-3.6,f=-1.5) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0372 USER MOD Single : A 39 THR OG1 : rot -72:sc= 0.754 USER MOD Single : A 45 MET CE :methyl 156:sc= -0.387 (180deg=-1) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.26 USER MOD Single : A 50 ASN : amide:sc= 0.316 X(o=0.32,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -118:sc= -3.64! USER MOD Single : A 54 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.025) USER MOD Single : A 55 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.3!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0252 K(o=-0.025,f=-1.3) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.039) USER MOD Single : A 84 LYS NZ :NH3+ -103:sc= -1.22 (180deg=-2.84!) USER MOD Single : A 85 TYR OH : rot -114:sc= -3.09! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 77:sc= 1.16 USER MOD Single : A 92 HIS : no HE2:sc= -10.8! C(o=-11!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 3 7.168 29.075 2.939 1.00 0.00 N ATOM 2 CA LEU A 3 6.140 28.128 3.447 1.00 0.00 C ATOM 3 C LEU A 3 5.661 27.186 2.345 1.00 0.00 C ATOM 4 O LEU A 3 5.183 26.086 2.623 1.00 0.00 O ATOM 5 CB LEU A 3 4.964 28.937 4.000 1.00 0.00 C ATOM 6 CG LEU A 3 5.314 29.886 5.147 1.00 0.00 C ATOM 7 CD1 LEU A 3 4.222 30.928 5.329 1.00 0.00 C ATOM 8 CD2 LEU A 3 5.531 29.108 6.436 1.00 0.00 C ATOM 0 HA LEU A 3 6.578 27.514 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.529 29.519 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.196 28.244 4.343 1.00 0.00 H new ATOM 0 HG LEU A 3 6.242 30.401 4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.488 31.594 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.115 31.507 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.279 30.431 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.779 29.800 7.241 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.621 28.566 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.349 28.400 6.301 1.00 0.00 H new ATOM 22 N LEU A 4 5.792 27.622 1.094 1.00 0.00 N ATOM 23 CA LEU A 4 5.372 26.818 -0.046 1.00 0.00 C ATOM 24 C LEU A 4 6.018 25.436 -0.010 1.00 0.00 C ATOM 25 O LEU A 4 5.341 24.420 -0.156 1.00 0.00 O ATOM 26 CB LEU A 4 5.725 27.530 -1.356 1.00 0.00 C ATOM 27 CG LEU A 4 5.450 29.041 -1.389 1.00 0.00 C ATOM 28 CD1 LEU A 4 4.272 29.414 -0.495 1.00 0.00 C ATOM 29 CD2 LEU A 4 6.697 29.823 -0.994 1.00 0.00 C ATOM 0 H LEU A 4 6.187 28.529 0.846 1.00 0.00 H new ATOM 0 HA LEU A 4 4.291 26.691 0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.783 27.367 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.166 27.060 -2.165 1.00 0.00 H new ATOM 0 HG LEU A 4 5.185 29.308 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.106 30.490 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.377 28.893 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 4 4.490 29.126 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.481 30.891 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.999 29.542 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.504 29.596 -1.690 1.00 0.00 H new ATOM 41 N LYS A 5 7.329 25.409 0.199 1.00 0.00 N ATOM 42 CA LYS A 5 8.069 24.151 0.272 1.00 0.00 C ATOM 43 C LYS A 5 7.485 23.243 1.354 1.00 0.00 C ATOM 44 O LYS A 5 7.654 22.025 1.320 1.00 0.00 O ATOM 45 CB LYS A 5 9.549 24.423 0.556 1.00 0.00 C ATOM 46 CG LYS A 5 10.494 23.616 -0.317 1.00 0.00 C ATOM 47 CD LYS A 5 11.761 24.395 -0.633 1.00 0.00 C ATOM 48 CE LYS A 5 12.748 24.348 0.522 1.00 0.00 C ATOM 49 NZ LYS A 5 12.637 25.547 1.399 1.00 0.00 N ATOM 0 H LYS A 5 7.903 26.243 0.321 1.00 0.00 H new ATOM 0 HA LYS A 5 7.980 23.645 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.749 25.484 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.756 24.201 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.754 22.686 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.991 23.344 -1.245 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.228 23.984 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.506 25.432 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.572 23.449 1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.763 24.278 0.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.327 25.475 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.830 26.404 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.677 25.600 1.795 1.00 0.00 H new ATOM 63 N ALA A 6 6.788 23.854 2.306 1.00 0.00 N ATOM 64 CA ALA A 6 6.166 23.111 3.393 1.00 0.00 C ATOM 65 C ALA A 6 5.094 22.174 2.854 1.00 0.00 C ATOM 66 O ALA A 6 5.016 21.009 3.247 1.00 0.00 O ATOM 67 CB ALA A 6 5.581 24.060 4.427 1.00 0.00 C ATOM 0 H ALA A 6 6.640 24.862 2.346 1.00 0.00 H new ATOM 0 HA ALA A 6 6.933 22.509 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.121 23.484 5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.374 24.685 4.837 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.828 24.692 3.956 1.00 0.00 H new ATOM 73 N ASN A 7 4.279 22.684 1.938 1.00 0.00 N ATOM 74 CA ASN A 7 3.225 21.883 1.333 1.00 0.00 C ATOM 75 C ASN A 7 3.834 20.731 0.546 1.00 0.00 C ATOM 76 O ASN A 7 3.543 19.561 0.807 1.00 0.00 O ATOM 77 CB ASN A 7 2.354 22.746 0.418 1.00 0.00 C ATOM 78 CG ASN A 7 1.972 24.067 1.057 1.00 0.00 C ATOM 79 OD1 ASN A 7 2.060 25.122 0.429 1.00 0.00 O ATOM 80 ND2 ASN A 7 1.546 24.015 2.314 1.00 0.00 N ATOM 0 H ASN A 7 4.328 23.645 1.600 1.00 0.00 H new ATOM 0 HA ASN A 7 2.596 21.478 2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.888 22.937 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.449 22.196 0.159 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.276 24.872 2.797 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.489 23.118 2.796 1.00 0.00 H new ATOM 87 N LYS A 8 4.687 21.065 -0.420 1.00 0.00 N ATOM 88 CA LYS A 8 5.341 20.057 -1.242 1.00 0.00 C ATOM 89 C LYS A 8 6.130 19.081 -0.378 1.00 0.00 C ATOM 90 O LYS A 8 6.217 17.894 -0.691 1.00 0.00 O ATOM 91 CB LYS A 8 6.271 20.721 -2.259 1.00 0.00 C ATOM 92 CG LYS A 8 5.538 21.556 -3.300 1.00 0.00 C ATOM 93 CD LYS A 8 5.702 23.044 -3.038 1.00 0.00 C ATOM 94 CE LYS A 8 4.552 23.844 -3.626 1.00 0.00 C ATOM 95 NZ LYS A 8 3.278 23.607 -2.893 1.00 0.00 N ATOM 0 H LYS A 8 4.939 22.026 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 8 4.569 19.502 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.981 21.357 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.851 19.950 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.918 21.317 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.479 21.299 -3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.758 23.221 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.643 23.388 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.796 24.906 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.423 23.576 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.477 23.699 -3.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.284 22.650 -2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.182 24.306 -2.129 1.00 0.00 H new ATOM 109 N ASP A 9 6.699 19.582 0.716 1.00 0.00 N ATOM 110 CA ASP A 9 7.467 18.734 1.617 1.00 0.00 C ATOM 111 C ASP A 9 6.567 17.660 2.207 1.00 0.00 C ATOM 112 O ASP A 9 6.934 16.485 2.265 1.00 0.00 O ATOM 113 CB ASP A 9 8.101 19.567 2.734 1.00 0.00 C ATOM 114 CG ASP A 9 9.513 20.006 2.396 1.00 0.00 C ATOM 115 OD1 ASP A 9 10.370 19.126 2.169 1.00 0.00 O ATOM 116 OD2 ASP A 9 9.763 21.229 2.360 1.00 0.00 O ATOM 0 H ASP A 9 6.643 20.561 0.996 1.00 0.00 H new ATOM 0 HA ASP A 9 8.267 18.257 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.485 20.446 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.115 18.984 3.655 1.00 0.00 H new ATOM 121 N LEU A 10 5.373 18.069 2.622 1.00 0.00 N ATOM 122 CA LEU A 10 4.409 17.137 3.183 1.00 0.00 C ATOM 123 C LEU A 10 4.058 16.077 2.149 1.00 0.00 C ATOM 124 O LEU A 10 3.996 14.885 2.460 1.00 0.00 O ATOM 125 CB LEU A 10 3.145 17.879 3.637 1.00 0.00 C ATOM 126 CG LEU A 10 2.813 17.759 5.127 1.00 0.00 C ATOM 127 CD1 LEU A 10 2.240 16.386 5.441 1.00 0.00 C ATOM 128 CD2 LEU A 10 4.045 18.029 5.978 1.00 0.00 C ATOM 0 H LEU A 10 5.053 19.037 2.580 1.00 0.00 H new ATOM 0 HA LEU A 10 4.851 16.653 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.256 18.935 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.298 17.505 3.062 1.00 0.00 H new ATOM 0 HG LEU A 10 2.060 18.509 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.011 16.322 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.328 16.231 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.969 15.619 5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.786 17.938 7.033 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.823 17.306 5.732 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.411 19.037 5.780 1.00 0.00 H new ATOM 140 N ILE A 11 3.849 16.511 0.906 1.00 0.00 N ATOM 141 CA ILE A 11 3.529 15.577 -0.159 1.00 0.00 C ATOM 142 C ILE A 11 4.682 14.604 -0.354 1.00 0.00 C ATOM 143 O ILE A 11 4.488 13.391 -0.311 1.00 0.00 O ATOM 144 CB ILE A 11 3.241 16.302 -1.488 1.00 0.00 C ATOM 145 CG1 ILE A 11 2.178 17.386 -1.287 1.00 0.00 C ATOM 146 CG2 ILE A 11 2.795 15.308 -2.551 1.00 0.00 C ATOM 147 CD1 ILE A 11 0.885 16.866 -0.695 1.00 0.00 C ATOM 0 H ILE A 11 3.896 17.489 0.620 1.00 0.00 H new ATOM 0 HA ILE A 11 2.628 15.038 0.134 1.00 0.00 H new ATOM 0 HB ILE A 11 4.160 16.780 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.580 18.161 -0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.965 17.856 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.596 15.837 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.582 14.571 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.888 14.803 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.180 17.689 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.459 16.112 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.084 16.422 0.280 1.00 0.00 H new ATOM 159 N SER A 12 5.886 15.134 -0.573 1.00 0.00 N ATOM 160 CA SER A 12 7.064 14.299 -0.778 1.00 0.00 C ATOM 161 C SER A 12 7.201 13.258 0.326 1.00 0.00 C ATOM 162 O SER A 12 7.679 12.151 0.088 1.00 0.00 O ATOM 163 CB SER A 12 8.324 15.165 -0.836 1.00 0.00 C ATOM 164 OG SER A 12 9.232 14.679 -1.808 1.00 0.00 O ATOM 0 H SER A 12 6.068 16.137 -0.612 1.00 0.00 H new ATOM 0 HA SER A 12 6.943 13.777 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.051 16.194 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.806 15.178 0.142 1.00 0.00 H new ATOM 0 HG SER A 12 10.028 15.250 -1.827 1.00 0.00 H new ATOM 170 N ALA A 13 6.779 13.615 1.532 1.00 0.00 N ATOM 171 CA ALA A 13 6.861 12.689 2.653 1.00 0.00 C ATOM 172 C ALA A 13 5.845 11.565 2.495 1.00 0.00 C ATOM 173 O ALA A 13 6.161 10.396 2.716 1.00 0.00 O ATOM 174 CB ALA A 13 6.671 13.418 3.976 1.00 0.00 C ATOM 0 H ALA A 13 6.381 14.527 1.757 1.00 0.00 H new ATOM 0 HA ALA A 13 7.857 12.246 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.737 12.704 4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.448 14.174 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.692 13.898 3.990 1.00 0.00 H new ATOM 180 N GLY A 14 4.640 11.920 2.070 1.00 0.00 N ATOM 181 CA GLY A 14 3.614 10.914 1.841 1.00 0.00 C ATOM 182 C GLY A 14 3.950 10.093 0.615 1.00 0.00 C ATOM 183 O GLY A 14 3.602 8.917 0.513 1.00 0.00 O ATOM 0 H GLY A 14 4.353 12.880 1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.532 10.263 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.645 11.396 1.710 1.00 0.00 H new ATOM 187 N LEU A 15 4.667 10.736 -0.299 1.00 0.00 N ATOM 188 CA LEU A 15 5.107 10.091 -1.519 1.00 0.00 C ATOM 189 C LEU A 15 6.181 9.074 -1.183 1.00 0.00 C ATOM 190 O LEU A 15 6.022 7.885 -1.427 1.00 0.00 O ATOM 191 CB LEU A 15 5.630 11.121 -2.516 1.00 0.00 C ATOM 192 CG LEU A 15 4.692 11.422 -3.687 1.00 0.00 C ATOM 193 CD1 LEU A 15 4.495 10.183 -4.546 1.00 0.00 C ATOM 194 CD2 LEU A 15 3.354 11.937 -3.177 1.00 0.00 C ATOM 0 H LEU A 15 4.955 11.711 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 15 4.262 9.582 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.831 12.050 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.582 10.769 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 15 5.148 12.197 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.825 10.417 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.458 9.856 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.061 9.387 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.699 12.146 -4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.893 11.183 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.510 12.851 -2.604 1.00 0.00 H new ATOM 206 N LYS A 16 7.279 9.558 -0.622 1.00 0.00 N ATOM 207 CA LYS A 16 8.389 8.695 -0.249 1.00 0.00 C ATOM 208 C LYS A 16 7.930 7.603 0.713 1.00 0.00 C ATOM 209 O LYS A 16 8.469 6.498 0.717 1.00 0.00 O ATOM 210 CB LYS A 16 9.517 9.531 0.374 1.00 0.00 C ATOM 211 CG LYS A 16 9.377 9.756 1.874 1.00 0.00 C ATOM 212 CD LYS A 16 10.257 8.804 2.666 1.00 0.00 C ATOM 213 CE LYS A 16 11.647 9.381 2.884 1.00 0.00 C ATOM 214 NZ LYS A 16 11.639 10.502 3.867 1.00 0.00 N ATOM 0 H LYS A 16 7.425 10.546 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 16 8.769 8.209 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.469 9.037 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.553 10.500 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.644 10.785 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.336 9.620 2.168 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.793 8.595 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.335 7.854 2.137 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.315 8.595 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.046 9.735 1.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.608 10.675 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.272 11.362 3.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.031 10.252 4.673 1.00 0.00 H new ATOM 228 N GLU A 17 6.927 7.920 1.521 1.00 0.00 N ATOM 229 CA GLU A 17 6.394 6.964 2.478 1.00 0.00 C ATOM 230 C GLU A 17 5.684 5.829 1.755 1.00 0.00 C ATOM 231 O GLU A 17 5.876 4.656 2.074 1.00 0.00 O ATOM 232 CB GLU A 17 5.431 7.656 3.445 1.00 0.00 C ATOM 233 CG GLU A 17 6.094 8.124 4.729 1.00 0.00 C ATOM 234 CD GLU A 17 6.452 6.976 5.653 1.00 0.00 C ATOM 235 OE1 GLU A 17 7.238 6.101 5.234 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.946 6.952 6.795 1.00 0.00 O ATOM 0 H GLU A 17 6.468 8.831 1.532 1.00 0.00 H new ATOM 0 HA GLU A 17 7.225 6.550 3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.980 8.513 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.622 6.969 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.997 8.683 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.425 8.810 5.250 1.00 0.00 H new ATOM 243 N PHE A 18 4.856 6.190 0.782 1.00 0.00 N ATOM 244 CA PHE A 18 4.111 5.203 0.014 1.00 0.00 C ATOM 245 C PHE A 18 5.017 4.462 -0.966 1.00 0.00 C ATOM 246 O PHE A 18 4.983 3.237 -1.041 1.00 0.00 O ATOM 247 CB PHE A 18 2.954 5.875 -0.735 1.00 0.00 C ATOM 248 CG PHE A 18 1.648 5.121 -0.674 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.309 4.354 0.434 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.755 5.186 -1.732 1.00 0.00 C ATOM 251 CE1 PHE A 18 0.107 3.671 0.482 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.447 4.505 -1.688 1.00 0.00 C ATOM 253 CZ PHE A 18 -0.771 3.747 -0.579 1.00 0.00 C ATOM 0 H PHE A 18 4.685 7.157 0.507 1.00 0.00 H new ATOM 0 HA PHE A 18 3.704 4.472 0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.802 6.873 -0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.238 6.000 -1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.992 4.290 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.002 5.776 -2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.144 3.079 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.133 4.565 -2.520 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.710 3.215 -0.543 1.00 0.00 H new ATOM 263 N SER A 19 5.836 5.204 -1.711 1.00 0.00 N ATOM 264 CA SER A 19 6.743 4.591 -2.676 1.00 0.00 C ATOM 265 C SER A 19 7.626 3.556 -1.994 1.00 0.00 C ATOM 266 O SER A 19 7.717 2.410 -2.437 1.00 0.00 O ATOM 267 CB SER A 19 7.610 5.660 -3.347 1.00 0.00 C ATOM 268 OG SER A 19 7.036 6.088 -4.570 1.00 0.00 O ATOM 0 H SER A 19 5.889 6.222 -1.665 1.00 0.00 H new ATOM 0 HA SER A 19 6.146 4.093 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.725 6.512 -2.678 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.608 5.261 -3.530 1.00 0.00 H new ATOM 0 HG SER A 19 7.607 6.772 -4.978 1.00 0.00 H new ATOM 274 N VAL A 20 8.265 3.965 -0.907 1.00 0.00 N ATOM 275 CA VAL A 20 9.128 3.069 -0.157 1.00 0.00 C ATOM 276 C VAL A 20 8.314 1.953 0.487 1.00 0.00 C ATOM 277 O VAL A 20 8.765 0.816 0.567 1.00 0.00 O ATOM 278 CB VAL A 20 9.913 3.823 0.935 1.00 0.00 C ATOM 279 CG1 VAL A 20 10.844 2.877 1.680 1.00 0.00 C ATOM 280 CG2 VAL A 20 10.695 4.978 0.330 1.00 0.00 C ATOM 0 H VAL A 20 8.201 4.909 -0.527 1.00 0.00 H new ATOM 0 HA VAL A 20 9.839 2.640 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 20 9.198 4.230 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.388 3.430 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.259 2.086 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.552 2.436 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.242 5.498 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.398 4.594 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.006 5.671 -0.152 1.00 0.00 H new ATOM 290 N LEU A 21 7.110 2.284 0.946 1.00 0.00 N ATOM 291 CA LEU A 21 6.245 1.298 1.585 1.00 0.00 C ATOM 292 C LEU A 21 5.932 0.144 0.637 1.00 0.00 C ATOM 293 O LEU A 21 6.011 -1.024 1.019 1.00 0.00 O ATOM 294 CB LEU A 21 4.944 1.965 2.043 1.00 0.00 C ATOM 295 CG LEU A 21 3.866 1.008 2.561 1.00 0.00 C ATOM 296 CD1 LEU A 21 3.782 1.070 4.079 1.00 0.00 C ATOM 297 CD2 LEU A 21 2.516 1.329 1.934 1.00 0.00 C ATOM 0 H LEU A 21 6.713 3.222 0.888 1.00 0.00 H new ATOM 0 HA LEU A 21 6.770 0.894 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.180 2.681 2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.532 2.533 1.208 1.00 0.00 H new ATOM 0 HG LEU A 21 4.142 -0.007 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.011 0.384 4.429 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.743 0.786 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.532 2.085 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.764 0.638 2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.231 2.350 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.585 1.229 0.851 1.00 0.00 H new ATOM 309 N LEU A 22 5.578 0.475 -0.599 1.00 0.00 N ATOM 310 CA LEU A 22 5.256 -0.544 -1.592 1.00 0.00 C ATOM 311 C LEU A 22 6.514 -1.293 -2.011 1.00 0.00 C ATOM 312 O LEU A 22 6.475 -2.491 -2.289 1.00 0.00 O ATOM 313 CB LEU A 22 4.586 0.085 -2.820 1.00 0.00 C ATOM 314 CG LEU A 22 3.449 1.065 -2.514 1.00 0.00 C ATOM 315 CD1 LEU A 22 2.697 1.431 -3.786 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.500 0.482 -1.476 1.00 0.00 C ATOM 0 H LEU A 22 5.507 1.435 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 22 4.558 -1.249 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.346 0.606 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.195 -0.714 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 22 3.885 1.975 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.894 2.128 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.383 1.898 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.275 0.530 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.700 1.194 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.072 -0.446 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.047 0.280 -0.555 1.00 0.00 H new ATOM 328 N ASN A 23 7.629 -0.574 -2.060 1.00 0.00 N ATOM 329 CA ASN A 23 8.904 -1.161 -2.451 1.00 0.00 C ATOM 330 C ASN A 23 9.594 -1.873 -1.284 1.00 0.00 C ATOM 331 O ASN A 23 10.497 -2.681 -1.500 1.00 0.00 O ATOM 332 CB ASN A 23 9.828 -0.081 -3.016 1.00 0.00 C ATOM 333 CG ASN A 23 9.621 0.140 -4.501 1.00 0.00 C ATOM 334 OD1 ASN A 23 10.464 -0.230 -5.319 1.00 0.00 O ATOM 335 ND2 ASN A 23 8.497 0.749 -4.859 1.00 0.00 N ATOM 0 H ASN A 23 7.675 0.419 -1.833 1.00 0.00 H new ATOM 0 HA ASN A 23 8.696 -1.908 -3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.655 0.855 -2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.865 -0.363 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.305 0.927 -5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.825 1.039 -4.148 1.00 0.00 H new ATOM 342 N GLN A 24 9.191 -1.565 -0.051 1.00 0.00 N ATOM 343 CA GLN A 24 9.817 -2.184 1.118 1.00 0.00 C ATOM 344 C GLN A 24 8.846 -3.023 1.941 1.00 0.00 C ATOM 345 O GLN A 24 9.186 -3.450 3.043 1.00 0.00 O ATOM 346 CB GLN A 24 10.473 -1.128 2.009 1.00 0.00 C ATOM 347 CG GLN A 24 11.913 -0.818 1.630 1.00 0.00 C ATOM 348 CD GLN A 24 12.061 -0.413 0.176 1.00 0.00 C ATOM 349 OE1 GLN A 24 12.945 -0.900 -0.528 1.00 0.00 O ATOM 350 NE2 GLN A 24 11.193 0.481 -0.281 1.00 0.00 N ATOM 0 H GLN A 24 8.446 -0.902 0.163 1.00 0.00 H new ATOM 0 HA GLN A 24 10.580 -2.859 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.888 -0.210 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.444 -1.470 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.287 -0.016 2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.532 -1.694 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.476 0.859 0.338 1.00 0.00 H new ATOM 0 HE22 GLN A 24 11.243 0.790 -1.252 1.00 0.00 H new ATOM 359 N GLN A 25 7.662 -3.306 1.399 1.00 0.00 N ATOM 360 CA GLN A 25 6.712 -4.158 2.114 1.00 0.00 C ATOM 361 C GLN A 25 7.467 -5.424 2.512 1.00 0.00 C ATOM 362 O GLN A 25 8.533 -5.684 1.952 1.00 0.00 O ATOM 363 CB GLN A 25 5.515 -4.501 1.223 1.00 0.00 C ATOM 364 CG GLN A 25 4.218 -3.848 1.671 1.00 0.00 C ATOM 365 CD GLN A 25 3.764 -4.328 3.035 1.00 0.00 C ATOM 366 OE1 GLN A 25 4.527 -4.955 3.771 1.00 0.00 O ATOM 367 NE2 GLN A 25 2.514 -4.038 3.379 1.00 0.00 N ATOM 0 H GLN A 25 7.343 -2.968 0.491 1.00 0.00 H new ATOM 0 HA GLN A 25 6.319 -3.647 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.733 -4.193 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.382 -5.583 1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.350 -2.766 1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.438 -4.057 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.917 -3.516 2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.152 -4.337 4.284 1.00 0.00 H new ATOM 376 N VAL A 26 6.972 -6.221 3.452 1.00 0.00 N ATOM 377 CA VAL A 26 7.698 -7.423 3.837 1.00 0.00 C ATOM 378 C VAL A 26 6.937 -8.669 3.426 1.00 0.00 C ATOM 379 O VAL A 26 5.722 -8.756 3.606 1.00 0.00 O ATOM 380 CB VAL A 26 7.948 -7.471 5.356 1.00 0.00 C ATOM 381 CG1 VAL A 26 8.853 -8.642 5.710 1.00 0.00 C ATOM 382 CG2 VAL A 26 8.543 -6.159 5.846 1.00 0.00 C ATOM 0 H VAL A 26 6.095 -6.063 3.949 1.00 0.00 H new ATOM 0 HA VAL A 26 8.658 -7.392 3.321 1.00 0.00 H new ATOM 0 HB VAL A 26 6.991 -7.615 5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.019 -8.661 6.787 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.381 -9.574 5.399 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.809 -8.531 5.197 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.711 -6.215 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.491 -5.978 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.854 -5.343 5.629 1.00 0.00 H new ATOM 392 N PHE A 27 7.655 -9.639 2.877 1.00 0.00 N ATOM 393 CA PHE A 27 7.035 -10.880 2.451 1.00 0.00 C ATOM 394 C PHE A 27 7.498 -12.033 3.322 1.00 0.00 C ATOM 395 O PHE A 27 8.553 -12.629 3.102 1.00 0.00 O ATOM 396 CB PHE A 27 7.358 -11.133 0.978 1.00 0.00 C ATOM 397 CG PHE A 27 7.025 -9.959 0.092 1.00 0.00 C ATOM 398 CD1 PHE A 27 7.720 -8.757 0.201 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.009 -10.055 -0.847 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.403 -7.685 -0.609 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.692 -8.982 -1.658 1.00 0.00 C ATOM 402 CZ PHE A 27 6.390 -7.797 -1.539 1.00 0.00 C ATOM 0 H PHE A 27 8.661 -9.589 2.718 1.00 0.00 H new ATOM 0 HA PHE A 27 5.954 -10.800 2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.418 -11.367 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.805 -12.008 0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.515 -8.663 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.459 -10.979 -0.946 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.949 -6.758 -0.515 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.898 -9.070 -2.385 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.143 -6.958 -2.173 1.00 0.00 H new ATOM 412 N ASN A 28 6.685 -12.317 4.328 1.00 0.00 N ATOM 413 CA ASN A 28 6.972 -13.375 5.276 1.00 0.00 C ATOM 414 C ASN A 28 5.720 -14.178 5.592 1.00 0.00 C ATOM 415 O ASN A 28 4.598 -13.700 5.432 1.00 0.00 O ATOM 416 CB ASN A 28 7.561 -12.787 6.562 1.00 0.00 C ATOM 417 CG ASN A 28 9.022 -13.147 6.744 1.00 0.00 C ATOM 418 OD1 ASN A 28 9.395 -14.320 6.700 1.00 0.00 O ATOM 419 ND2 ASN A 28 9.859 -12.137 6.951 1.00 0.00 N ATOM 0 H ASN A 28 5.812 -11.821 4.507 1.00 0.00 H new ATOM 0 HA ASN A 28 7.702 -14.047 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.456 -11.702 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.991 -13.148 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.854 -12.318 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.507 -11.180 6.980 1.00 0.00 H new ATOM 426 N ASP A 29 5.932 -15.399 6.048 1.00 0.00 N ATOM 427 CA ASP A 29 4.839 -16.296 6.404 1.00 0.00 C ATOM 428 C ASP A 29 4.640 -16.334 7.922 1.00 0.00 C ATOM 429 O ASP A 29 5.606 -16.212 8.676 1.00 0.00 O ATOM 430 CB ASP A 29 5.121 -17.706 5.882 1.00 0.00 C ATOM 431 CG ASP A 29 6.529 -18.172 6.201 1.00 0.00 C ATOM 432 OD1 ASP A 29 6.769 -18.596 7.351 1.00 0.00 O ATOM 433 OD2 ASP A 29 7.393 -18.109 5.301 1.00 0.00 O ATOM 0 H ASP A 29 6.861 -15.799 6.183 1.00 0.00 H new ATOM 0 HA ASP A 29 3.926 -15.920 5.943 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.404 -18.402 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.970 -17.727 4.803 1.00 0.00 H new ATOM 438 N PRO A 30 3.389 -16.504 8.404 1.00 0.00 N ATOM 439 CA PRO A 30 2.197 -16.655 7.555 1.00 0.00 C ATOM 440 C PRO A 30 1.992 -15.470 6.621 1.00 0.00 C ATOM 441 O PRO A 30 2.250 -14.324 6.987 1.00 0.00 O ATOM 442 CB PRO A 30 1.039 -16.748 8.558 1.00 0.00 C ATOM 443 CG PRO A 30 1.586 -16.217 9.838 1.00 0.00 C ATOM 444 CD PRO A 30 3.046 -16.562 9.832 1.00 0.00 C ATOM 0 HA PRO A 30 2.281 -17.523 6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.181 -16.164 8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.699 -17.777 8.672 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.439 -15.139 9.909 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.082 -16.665 10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.631 -15.853 10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.230 -17.551 10.252 1.00 0.00 H new ATOM 452 N LEU A 31 1.537 -15.760 5.409 1.00 0.00 N ATOM 453 CA LEU A 31 1.307 -14.724 4.413 1.00 0.00 C ATOM 454 C LEU A 31 -0.043 -14.051 4.625 1.00 0.00 C ATOM 455 O LEU A 31 -1.062 -14.719 4.801 1.00 0.00 O ATOM 456 CB LEU A 31 1.385 -15.316 3.006 1.00 0.00 C ATOM 457 CG LEU A 31 2.794 -15.684 2.543 1.00 0.00 C ATOM 458 CD1 LEU A 31 2.755 -16.890 1.619 1.00 0.00 C ATOM 459 CD2 LEU A 31 3.454 -14.501 1.850 1.00 0.00 C ATOM 0 H LEU A 31 1.320 -16.705 5.093 1.00 0.00 H new ATOM 0 HA LEU A 31 2.085 -13.969 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.760 -16.208 2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.962 -14.600 2.302 1.00 0.00 H new ATOM 0 HG LEU A 31 3.387 -15.943 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.768 -17.137 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.324 -17.740 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.145 -16.659 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.457 -14.781 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.861 -14.211 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.517 -13.662 2.543 1.00 0.00 H new ATOM 471 N VAL A 32 -0.038 -12.724 4.608 1.00 0.00 N ATOM 472 CA VAL A 32 -1.257 -11.952 4.796 1.00 0.00 C ATOM 473 C VAL A 32 -2.127 -11.997 3.542 1.00 0.00 C ATOM 474 O VAL A 32 -1.613 -12.024 2.422 1.00 0.00 O ATOM 475 CB VAL A 32 -0.935 -10.487 5.151 1.00 0.00 C ATOM 476 CG1 VAL A 32 -0.205 -9.800 4.005 1.00 0.00 C ATOM 477 CG2 VAL A 32 -2.203 -9.736 5.513 1.00 0.00 C ATOM 0 H VAL A 32 0.800 -12.160 4.465 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.805 -12.401 5.624 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.276 -10.482 6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.012 -8.767 4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.728 -10.325 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.832 -9.815 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.956 -8.704 5.761 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.890 -9.752 4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.675 -10.212 6.372 1.00 0.00 H new ATOM 487 N SER A 33 -3.443 -12.029 3.732 1.00 0.00 N ATOM 488 CA SER A 33 -4.371 -12.100 2.608 1.00 0.00 C ATOM 489 C SER A 33 -4.578 -10.733 1.966 1.00 0.00 C ATOM 490 O SER A 33 -4.097 -9.718 2.469 1.00 0.00 O ATOM 491 CB SER A 33 -5.717 -12.663 3.071 1.00 0.00 C ATOM 492 OG SER A 33 -6.086 -12.128 4.331 1.00 0.00 O ATOM 0 H SER A 33 -3.889 -12.007 4.649 1.00 0.00 H new ATOM 0 HA SER A 33 -3.936 -12.763 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.485 -12.430 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.657 -13.749 3.137 1.00 0.00 H new ATOM 0 HG SER A 33 -6.950 -12.501 4.605 1.00 0.00 H new ATOM 498 N GLU A 34 -5.290 -10.722 0.843 1.00 0.00 N ATOM 499 CA GLU A 34 -5.556 -9.483 0.118 1.00 0.00 C ATOM 500 C GLU A 34 -6.544 -8.597 0.872 1.00 0.00 C ATOM 501 O GLU A 34 -6.490 -7.373 0.768 1.00 0.00 O ATOM 502 CB GLU A 34 -6.077 -9.763 -1.301 1.00 0.00 C ATOM 503 CG GLU A 34 -6.906 -11.032 -1.436 1.00 0.00 C ATOM 504 CD GLU A 34 -8.070 -11.079 -0.466 1.00 0.00 C ATOM 505 OE1 GLU A 34 -7.880 -11.575 0.665 1.00 0.00 O ATOM 506 OE2 GLU A 34 -9.171 -10.620 -0.836 1.00 0.00 O ATOM 0 H GLU A 34 -5.693 -11.556 0.415 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.608 -8.952 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.680 -8.915 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.226 -9.827 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.285 -11.106 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.266 -11.898 -1.270 1.00 0.00 H new ATOM 513 N GLU A 35 -7.438 -9.216 1.638 1.00 0.00 N ATOM 514 CA GLU A 35 -8.423 -8.466 2.410 1.00 0.00 C ATOM 515 C GLU A 35 -7.739 -7.694 3.529 1.00 0.00 C ATOM 516 O GLU A 35 -8.092 -6.551 3.825 1.00 0.00 O ATOM 517 CB GLU A 35 -9.472 -9.412 2.997 1.00 0.00 C ATOM 518 CG GLU A 35 -10.548 -9.821 2.003 1.00 0.00 C ATOM 519 CD GLU A 35 -11.904 -9.232 2.337 1.00 0.00 C ATOM 520 OE1 GLU A 35 -12.370 -9.425 3.479 1.00 0.00 O ATOM 521 OE2 GLU A 35 -12.499 -8.578 1.456 1.00 0.00 O ATOM 0 H GLU A 35 -7.501 -10.229 1.740 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.919 -7.760 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.974 -10.307 3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.944 -8.931 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.254 -9.502 1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.623 -10.908 1.982 1.00 0.00 H new ATOM 528 N ASP A 36 -6.736 -8.325 4.127 1.00 0.00 N ATOM 529 CA ASP A 36 -5.976 -7.700 5.195 1.00 0.00 C ATOM 530 C ASP A 36 -5.094 -6.602 4.616 1.00 0.00 C ATOM 531 O ASP A 36 -4.917 -5.544 5.222 1.00 0.00 O ATOM 532 CB ASP A 36 -5.131 -8.741 5.928 1.00 0.00 C ATOM 533 CG ASP A 36 -4.241 -8.129 6.992 1.00 0.00 C ATOM 534 OD1 ASP A 36 -3.368 -7.310 6.637 1.00 0.00 O ATOM 535 OD2 ASP A 36 -4.419 -8.468 8.182 1.00 0.00 O ATOM 0 H ASP A 36 -6.432 -9.269 3.888 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.665 -7.258 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.789 -9.477 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.513 -9.275 5.206 1.00 0.00 H new ATOM 540 N MET A 37 -4.565 -6.855 3.423 1.00 0.00 N ATOM 541 CA MET A 37 -3.725 -5.881 2.742 1.00 0.00 C ATOM 542 C MET A 37 -4.564 -4.673 2.350 1.00 0.00 C ATOM 543 O MET A 37 -4.165 -3.528 2.563 1.00 0.00 O ATOM 544 CB MET A 37 -3.082 -6.501 1.500 1.00 0.00 C ATOM 545 CG MET A 37 -1.694 -5.961 1.199 1.00 0.00 C ATOM 546 SD MET A 37 -0.423 -6.677 2.259 1.00 0.00 S ATOM 547 CE MET A 37 1.054 -6.283 1.327 1.00 0.00 C ATOM 0 H MET A 37 -4.704 -7.726 2.910 1.00 0.00 H new ATOM 0 HA MET A 37 -2.930 -5.566 3.417 1.00 0.00 H new ATOM 0 HB2 MET A 37 -3.021 -7.581 1.633 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.727 -6.322 0.640 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.448 -6.163 0.157 1.00 0.00 H new ATOM 0 HG3 MET A 37 -1.696 -4.878 1.322 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.872 -6.927 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.867 -6.441 0.265 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.324 -5.241 1.496 1.00 0.00 H new ATOM 557 N VAL A 38 -5.741 -4.941 1.787 1.00 0.00 N ATOM 558 CA VAL A 38 -6.652 -3.881 1.378 1.00 0.00 C ATOM 559 C VAL A 38 -6.964 -2.968 2.557 1.00 0.00 C ATOM 560 O VAL A 38 -6.911 -1.745 2.434 1.00 0.00 O ATOM 561 CB VAL A 38 -7.967 -4.451 0.803 1.00 0.00 C ATOM 562 CG1 VAL A 38 -8.953 -3.334 0.488 1.00 0.00 C ATOM 563 CG2 VAL A 38 -7.688 -5.284 -0.440 1.00 0.00 C ATOM 0 H VAL A 38 -6.083 -5.884 1.605 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.157 -3.309 0.593 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.416 -5.095 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.871 -3.762 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.180 -2.782 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.515 -2.658 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.626 -5.678 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.212 -4.660 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.026 -6.111 -0.183 1.00 0.00 H new ATOM 573 N THR A 39 -7.276 -3.565 3.706 1.00 0.00 N ATOM 574 CA THR A 39 -7.576 -2.784 4.902 1.00 0.00 C ATOM 575 C THR A 39 -6.385 -1.907 5.269 1.00 0.00 C ATOM 576 O THR A 39 -6.539 -0.717 5.548 1.00 0.00 O ATOM 577 CB THR A 39 -7.934 -3.703 6.076 1.00 0.00 C ATOM 578 OG1 THR A 39 -7.733 -5.061 5.734 1.00 0.00 O ATOM 579 CG2 THR A 39 -9.369 -3.553 6.535 1.00 0.00 C ATOM 0 H THR A 39 -7.327 -4.576 3.833 1.00 0.00 H new ATOM 0 HA THR A 39 -8.435 -2.147 4.689 1.00 0.00 H new ATOM 0 HB THR A 39 -7.274 -3.401 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.425 -5.345 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.557 -4.231 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.543 -2.526 6.856 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.041 -3.794 5.712 1.00 0.00 H new ATOM 587 N VAL A 40 -5.195 -2.501 5.256 1.00 0.00 N ATOM 588 CA VAL A 40 -3.975 -1.773 5.577 1.00 0.00 C ATOM 589 C VAL A 40 -3.790 -0.589 4.634 1.00 0.00 C ATOM 590 O VAL A 40 -3.456 0.515 5.064 1.00 0.00 O ATOM 591 CB VAL A 40 -2.734 -2.684 5.493 1.00 0.00 C ATOM 592 CG1 VAL A 40 -1.491 -1.944 5.968 1.00 0.00 C ATOM 593 CG2 VAL A 40 -2.948 -3.955 6.301 1.00 0.00 C ATOM 0 H VAL A 40 -5.051 -3.484 5.026 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.077 -1.413 6.601 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.584 -2.964 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.626 -2.604 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.328 -1.067 5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.628 -1.630 7.003 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.062 -4.585 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.126 -3.697 7.345 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.810 -4.495 5.908 1.00 0.00 H new ATOM 603 N VAL A 41 -4.022 -0.825 3.345 1.00 0.00 N ATOM 604 CA VAL A 41 -3.890 0.222 2.343 1.00 0.00 C ATOM 605 C VAL A 41 -4.936 1.311 2.563 1.00 0.00 C ATOM 606 O VAL A 41 -4.616 2.499 2.578 1.00 0.00 O ATOM 607 CB VAL A 41 -4.037 -0.339 0.916 1.00 0.00 C ATOM 608 CG1 VAL A 41 -3.730 0.734 -0.117 1.00 0.00 C ATOM 609 CG2 VAL A 41 -3.135 -1.551 0.722 1.00 0.00 C ATOM 0 H VAL A 41 -4.302 -1.732 2.973 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.892 0.646 2.450 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.070 -0.657 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.840 0.317 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.422 1.567 0.007 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.708 1.088 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.253 -1.933 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.097 -1.261 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.410 -2.327 1.437 1.00 0.00 H new ATOM 619 N GLU A 42 -6.187 0.894 2.740 1.00 0.00 N ATOM 620 CA GLU A 42 -7.280 1.832 2.969 1.00 0.00 C ATOM 621 C GLU A 42 -6.974 2.725 4.166 1.00 0.00 C ATOM 622 O GLU A 42 -7.139 3.943 4.103 1.00 0.00 O ATOM 623 CB GLU A 42 -8.592 1.075 3.197 1.00 0.00 C ATOM 624 CG GLU A 42 -9.523 1.098 1.995 1.00 0.00 C ATOM 625 CD GLU A 42 -9.973 -0.288 1.579 1.00 0.00 C ATOM 626 OE1 GLU A 42 -10.469 -1.037 2.447 1.00 0.00 O ATOM 627 OE2 GLU A 42 -9.832 -0.625 0.384 1.00 0.00 O ATOM 0 H GLU A 42 -6.468 -0.087 2.729 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.387 2.460 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.365 0.040 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.108 1.508 4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.398 1.705 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.017 1.578 1.157 1.00 0.00 H new ATOM 634 N ASP A 43 -6.520 2.110 5.253 1.00 0.00 N ATOM 635 CA ASP A 43 -6.181 2.849 6.461 1.00 0.00 C ATOM 636 C ASP A 43 -5.006 3.786 6.203 1.00 0.00 C ATOM 637 O ASP A 43 -5.000 4.925 6.663 1.00 0.00 O ATOM 638 CB ASP A 43 -5.840 1.882 7.596 1.00 0.00 C ATOM 639 CG ASP A 43 -6.352 2.363 8.941 1.00 0.00 C ATOM 640 OD1 ASP A 43 -7.553 2.168 9.223 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.552 2.934 9.710 1.00 0.00 O ATOM 0 H ASP A 43 -6.379 1.102 5.321 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.045 3.446 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.268 0.904 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.759 1.753 7.647 1.00 0.00 H new ATOM 646 N TRP A 44 -4.022 3.295 5.453 1.00 0.00 N ATOM 647 CA TRP A 44 -2.833 4.077 5.111 1.00 0.00 C ATOM 648 C TRP A 44 -3.211 5.328 4.320 1.00 0.00 C ATOM 649 O TRP A 44 -2.682 6.417 4.556 1.00 0.00 O ATOM 650 CB TRP A 44 -1.889 3.232 4.246 1.00 0.00 C ATOM 651 CG TRP A 44 -0.876 2.425 5.003 1.00 0.00 C ATOM 652 CD1 TRP A 44 -0.401 2.654 6.263 1.00 0.00 C ATOM 653 CD2 TRP A 44 -0.199 1.258 4.524 1.00 0.00 C ATOM 654 NE1 TRP A 44 0.533 1.695 6.595 1.00 0.00 N ATOM 655 CE2 TRP A 44 0.672 0.826 5.541 1.00 0.00 C ATOM 656 CE3 TRP A 44 -0.249 0.535 3.329 1.00 0.00 C ATOM 657 CZ2 TRP A 44 1.489 -0.298 5.395 1.00 0.00 C ATOM 658 CZ3 TRP A 44 0.558 -0.577 3.187 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.416 -0.984 4.213 1.00 0.00 C ATOM 0 H TRP A 44 -4.024 2.351 5.067 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.345 4.369 6.041 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.489 2.554 3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.362 3.894 3.559 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.711 3.466 6.904 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.038 1.640 7.479 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.908 0.841 2.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.154 -0.614 6.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.526 -1.142 2.267 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.034 -1.858 4.070 1.00 0.00 H new ATOM 670 N MET A 45 -4.110 5.147 3.356 1.00 0.00 N ATOM 671 CA MET A 45 -4.544 6.237 2.489 1.00 0.00 C ATOM 672 C MET A 45 -5.332 7.306 3.235 1.00 0.00 C ATOM 673 O MET A 45 -5.034 8.495 3.110 1.00 0.00 O ATOM 674 CB MET A 45 -5.375 5.693 1.327 1.00 0.00 C ATOM 675 CG MET A 45 -4.585 4.805 0.377 1.00 0.00 C ATOM 676 SD MET A 45 -4.998 5.099 -1.353 1.00 0.00 S ATOM 677 CE MET A 45 -6.411 4.018 -1.553 1.00 0.00 C ATOM 0 H MET A 45 -4.554 4.251 3.156 1.00 0.00 H new ATOM 0 HA MET A 45 -3.641 6.712 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 45 -6.216 5.126 1.727 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.792 6.530 0.767 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.519 4.977 0.526 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.776 3.760 0.620 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.029 4.375 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.067 3.006 -1.769 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.999 4.014 -0.635 1.00 0.00 H new ATOM 687 N ASN A 46 -6.322 6.902 4.023 1.00 0.00 N ATOM 688 CA ASN A 46 -7.106 7.865 4.779 1.00 0.00 C ATOM 689 C ASN A 46 -6.259 8.441 5.903 1.00 0.00 C ATOM 690 O ASN A 46 -6.458 9.578 6.332 1.00 0.00 O ATOM 691 CB ASN A 46 -8.364 7.207 5.347 1.00 0.00 C ATOM 692 CG ASN A 46 -9.544 7.302 4.399 1.00 0.00 C ATOM 693 OD1 ASN A 46 -10.050 8.390 4.127 1.00 0.00 O ATOM 694 ND2 ASN A 46 -9.991 6.158 3.892 1.00 0.00 N ATOM 0 H ASN A 46 -6.596 5.928 4.153 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.415 8.671 4.113 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.157 6.159 5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.623 7.681 6.294 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.784 6.160 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.541 5.278 4.145 1.00 0.00 H new ATOM 701 N PHE A 47 -5.300 7.645 6.365 1.00 0.00 N ATOM 702 CA PHE A 47 -4.404 8.066 7.425 1.00 0.00 C ATOM 703 C PHE A 47 -3.598 9.279 6.979 1.00 0.00 C ATOM 704 O PHE A 47 -3.505 10.265 7.707 1.00 0.00 O ATOM 705 CB PHE A 47 -3.482 6.903 7.831 1.00 0.00 C ATOM 706 CG PHE A 47 -2.038 7.274 8.030 1.00 0.00 C ATOM 707 CD1 PHE A 47 -1.671 8.257 8.935 1.00 0.00 C ATOM 708 CD2 PHE A 47 -1.048 6.631 7.307 1.00 0.00 C ATOM 709 CE1 PHE A 47 -0.341 8.590 9.112 1.00 0.00 C ATOM 710 CE2 PHE A 47 0.280 6.959 7.480 1.00 0.00 C ATOM 711 CZ PHE A 47 0.634 7.940 8.382 1.00 0.00 C ATOM 0 H PHE A 47 -5.127 6.702 6.017 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.991 8.353 8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.860 6.466 8.755 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.540 6.129 7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.431 8.768 9.507 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.319 5.863 6.598 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.065 9.357 9.820 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.042 6.448 6.910 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.674 8.200 8.517 1.00 0.00 H new ATOM 721 N TYR A 48 -3.017 9.210 5.778 1.00 0.00 N ATOM 722 CA TYR A 48 -2.227 10.327 5.270 1.00 0.00 C ATOM 723 C TYR A 48 -3.119 11.501 4.888 1.00 0.00 C ATOM 724 O TYR A 48 -2.755 12.655 5.093 1.00 0.00 O ATOM 725 CB TYR A 48 -1.394 9.911 4.058 1.00 0.00 C ATOM 726 CG TYR A 48 -0.181 9.074 4.398 1.00 0.00 C ATOM 727 CD1 TYR A 48 0.824 9.573 5.219 1.00 0.00 C ATOM 728 CD2 TYR A 48 -0.036 7.789 3.890 1.00 0.00 C ATOM 729 CE1 TYR A 48 1.937 8.812 5.524 1.00 0.00 C ATOM 730 CE2 TYR A 48 1.074 7.024 4.192 1.00 0.00 C ATOM 731 CZ TYR A 48 2.058 7.540 5.009 1.00 0.00 C ATOM 732 OH TYR A 48 3.166 6.781 5.316 1.00 0.00 O ATOM 0 H TYR A 48 -3.078 8.407 5.152 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.556 10.635 6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.028 9.350 3.371 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.067 10.807 3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.734 10.570 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.803 7.382 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.709 9.213 6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.171 6.026 3.790 1.00 0.00 H new ATOM 0 HH TYR A 48 3.098 5.909 4.874 1.00 0.00 H new ATOM 742 N ILE A 49 -4.278 11.206 4.310 1.00 0.00 N ATOM 743 CA ILE A 49 -5.203 12.252 3.888 1.00 0.00 C ATOM 744 C ILE A 49 -5.597 13.154 5.064 1.00 0.00 C ATOM 745 O ILE A 49 -5.428 14.375 5.008 1.00 0.00 O ATOM 746 CB ILE A 49 -6.467 11.635 3.239 1.00 0.00 C ATOM 747 CG1 ILE A 49 -6.153 11.174 1.812 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.631 12.618 3.237 1.00 0.00 C ATOM 749 CD1 ILE A 49 -5.902 12.314 0.848 1.00 0.00 C ATOM 0 H ILE A 49 -4.599 10.256 4.123 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.692 12.866 3.146 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.765 10.773 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.276 10.527 1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.984 10.573 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.501 12.151 2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.872 12.898 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.354 13.509 2.673 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.686 11.912 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.786 12.949 0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.052 12.903 1.194 1.00 0.00 H new ATOM 761 N ASN A 50 -6.113 12.550 6.130 1.00 0.00 N ATOM 762 CA ASN A 50 -6.518 13.304 7.315 1.00 0.00 C ATOM 763 C ASN A 50 -5.298 13.903 8.006 1.00 0.00 C ATOM 764 O ASN A 50 -5.327 15.040 8.479 1.00 0.00 O ATOM 765 CB ASN A 50 -7.278 12.397 8.284 1.00 0.00 C ATOM 766 CG ASN A 50 -8.691 12.106 7.819 1.00 0.00 C ATOM 767 OD1 ASN A 50 -9.561 12.976 7.860 1.00 0.00 O ATOM 768 ND2 ASN A 50 -8.925 10.877 7.374 1.00 0.00 N ATOM 0 H ASN A 50 -6.261 11.543 6.199 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.175 14.115 7.002 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.736 11.458 8.399 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.312 12.868 9.267 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.857 10.622 7.048 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.173 10.188 7.358 1.00 0.00 H new ATOM 775 N TYR A 51 -4.230 13.122 8.047 1.00 0.00 N ATOM 776 CA TYR A 51 -2.974 13.536 8.661 1.00 0.00 C ATOM 777 C TYR A 51 -2.411 14.766 7.950 1.00 0.00 C ATOM 778 O TYR A 51 -1.841 15.657 8.576 1.00 0.00 O ATOM 779 CB TYR A 51 -1.998 12.348 8.583 1.00 0.00 C ATOM 780 CG TYR A 51 -0.523 12.675 8.688 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.060 13.749 9.435 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.411 11.882 8.032 1.00 0.00 C ATOM 783 CE1 TYR A 51 1.293 14.021 9.522 1.00 0.00 C ATOM 784 CE2 TYR A 51 1.761 12.148 8.115 1.00 0.00 C ATOM 785 CZ TYR A 51 2.198 13.219 8.862 1.00 0.00 C ATOM 786 OH TYR A 51 3.544 13.490 8.948 1.00 0.00 O ATOM 0 H TYR A 51 -4.208 12.181 7.655 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.131 13.815 9.703 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.249 11.648 9.379 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.166 11.830 7.639 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.765 14.380 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.072 11.041 7.446 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.640 14.861 10.106 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.471 11.520 7.597 1.00 0.00 H new ATOM 0 HH TYR A 51 4.045 12.829 8.426 1.00 0.00 H new ATOM 796 N TYR A 52 -2.562 14.787 6.636 1.00 0.00 N ATOM 797 CA TYR A 52 -2.060 15.878 5.811 1.00 0.00 C ATOM 798 C TYR A 52 -2.904 17.141 5.881 1.00 0.00 C ATOM 799 O TYR A 52 -2.367 18.244 5.849 1.00 0.00 O ATOM 800 CB TYR A 52 -1.936 15.407 4.368 1.00 0.00 C ATOM 801 CG TYR A 52 -0.632 14.704 4.126 1.00 0.00 C ATOM 802 CD1 TYR A 52 -0.129 13.822 5.071 1.00 0.00 C ATOM 803 CD2 TYR A 52 0.111 14.941 2.984 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.074 13.193 4.886 1.00 0.00 C ATOM 805 CE2 TYR A 52 1.325 14.318 2.789 1.00 0.00 C ATOM 806 CZ TYR A 52 1.803 13.443 3.746 1.00 0.00 C ATOM 807 OH TYR A 52 3.016 12.828 3.568 1.00 0.00 O ATOM 0 H TYR A 52 -3.034 14.051 6.111 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.083 16.150 6.211 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.761 14.735 4.132 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.019 16.262 3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.696 13.627 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.265 15.623 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.448 12.505 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.899 14.512 1.895 1.00 0.00 H new ATOM 0 HH TYR A 52 3.721 13.506 3.510 1.00 0.00 H new ATOM 817 N ARG A 53 -4.218 16.992 5.972 1.00 0.00 N ATOM 818 CA ARG A 53 -5.096 18.155 6.032 1.00 0.00 C ATOM 819 C ARG A 53 -4.781 19.029 7.242 1.00 0.00 C ATOM 820 O ARG A 53 -5.052 20.229 7.240 1.00 0.00 O ATOM 821 CB ARG A 53 -6.559 17.713 6.075 1.00 0.00 C ATOM 822 CG ARG A 53 -7.533 18.793 5.632 1.00 0.00 C ATOM 823 CD ARG A 53 -8.724 18.890 6.572 1.00 0.00 C ATOM 824 NE ARG A 53 -9.411 17.609 6.718 1.00 0.00 N ATOM 825 CZ ARG A 53 -10.458 17.417 7.517 1.00 0.00 C ATOM 826 NH1 ARG A 53 -10.940 18.418 8.244 1.00 0.00 N ATOM 827 NH2 ARG A 53 -11.024 16.221 7.591 1.00 0.00 N ATOM 0 H ARG A 53 -4.696 16.091 6.006 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.925 18.747 5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.685 16.838 5.437 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.807 17.405 7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.020 19.754 5.594 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.882 18.577 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.387 19.234 7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.424 19.636 6.195 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.068 16.816 6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.508 19.340 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.743 18.265 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.657 15.448 7.036 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.826 16.074 8.203 1.00 0.00 H new ATOM 841 N GLN A 54 -4.232 18.416 8.285 1.00 0.00 N ATOM 842 CA GLN A 54 -3.908 19.131 9.513 1.00 0.00 C ATOM 843 C GLN A 54 -2.457 19.628 9.536 1.00 0.00 C ATOM 844 O GLN A 54 -2.091 20.434 10.391 1.00 0.00 O ATOM 845 CB GLN A 54 -4.169 18.207 10.710 1.00 0.00 C ATOM 846 CG GLN A 54 -3.726 18.769 12.054 1.00 0.00 C ATOM 847 CD GLN A 54 -3.659 17.705 13.132 1.00 0.00 C ATOM 848 OE1 GLN A 54 -4.258 17.847 14.198 1.00 0.00 O ATOM 849 NE2 GLN A 54 -2.927 16.631 12.859 1.00 0.00 N ATOM 0 H GLN A 54 -4.002 17.423 8.304 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.544 20.014 9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.236 17.987 10.757 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.656 17.260 10.540 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.746 19.234 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.418 19.552 12.363 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.447 16.555 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.844 15.882 13.546 1.00 0.00 H new ATOM 858 N GLN A 55 -1.623 19.135 8.623 1.00 0.00 N ATOM 859 CA GLN A 55 -0.213 19.532 8.602 1.00 0.00 C ATOM 860 C GLN A 55 0.116 20.544 7.505 1.00 0.00 C ATOM 861 O GLN A 55 1.275 20.932 7.357 1.00 0.00 O ATOM 862 CB GLN A 55 0.671 18.298 8.440 1.00 0.00 C ATOM 863 CG GLN A 55 0.297 17.164 9.377 1.00 0.00 C ATOM 864 CD GLN A 55 1.035 17.228 10.699 1.00 0.00 C ATOM 865 OE1 GLN A 55 1.791 18.163 10.959 1.00 0.00 O ATOM 866 NE2 GLN A 55 0.815 16.227 11.541 1.00 0.00 N ATOM 0 H GLN A 55 -1.891 18.470 7.898 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.015 20.023 9.555 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.606 17.946 7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.710 18.578 8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.777 17.192 9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.512 16.212 8.892 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.179 15.473 11.282 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.282 16.211 12.448 1.00 0.00 H new ATOM 875 N VAL A 56 -0.878 20.977 6.736 1.00 0.00 N ATOM 876 CA VAL A 56 -0.620 21.947 5.671 1.00 0.00 C ATOM 877 C VAL A 56 -0.663 23.375 6.201 1.00 0.00 C ATOM 878 O VAL A 56 -1.092 23.622 7.327 1.00 0.00 O ATOM 879 CB VAL A 56 -1.617 21.845 4.496 1.00 0.00 C ATOM 880 CG1 VAL A 56 -0.890 22.020 3.173 1.00 0.00 C ATOM 881 CG2 VAL A 56 -2.381 20.532 4.501 1.00 0.00 C ATOM 0 H VAL A 56 -1.850 20.681 6.824 1.00 0.00 H new ATOM 0 HA VAL A 56 0.376 21.703 5.302 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.345 22.646 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.604 21.946 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.409 22.998 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.134 21.242 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.069 20.508 3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.679 19.702 4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.944 20.442 5.430 1.00 0.00 H new ATOM 891 N THR A 57 -0.219 24.313 5.369 1.00 0.00 N ATOM 892 CA THR A 57 -0.205 25.725 5.727 1.00 0.00 C ATOM 893 C THR A 57 -0.561 26.572 4.508 1.00 0.00 C ATOM 894 O THR A 57 -0.645 26.057 3.393 1.00 0.00 O ATOM 895 CB THR A 57 1.171 26.124 6.260 1.00 0.00 C ATOM 896 OG1 THR A 57 2.195 25.667 5.395 1.00 0.00 O ATOM 897 CG2 THR A 57 1.458 25.577 7.641 1.00 0.00 C ATOM 0 H THR A 57 0.139 24.116 4.434 1.00 0.00 H new ATOM 0 HA THR A 57 -0.944 25.897 6.509 1.00 0.00 H new ATOM 0 HB THR A 57 1.156 27.213 6.314 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.068 25.933 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.450 25.897 7.960 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.713 25.951 8.343 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.418 24.488 7.616 1.00 0.00 H new ATOM 905 N GLY A 58 -0.763 27.868 4.717 1.00 0.00 N ATOM 906 CA GLY A 58 -1.100 28.747 3.610 1.00 0.00 C ATOM 907 C GLY A 58 -2.592 28.806 3.340 1.00 0.00 C ATOM 908 O GLY A 58 -3.402 28.587 4.240 1.00 0.00 O ATOM 0 H GLY A 58 -0.700 28.325 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.734 29.751 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.586 28.406 2.711 1.00 0.00 H new ATOM 912 N GLU A 59 -2.955 29.104 2.095 1.00 0.00 N ATOM 913 CA GLU A 59 -4.359 29.194 1.707 1.00 0.00 C ATOM 914 C GLU A 59 -4.997 27.808 1.646 1.00 0.00 C ATOM 915 O GLU A 59 -4.351 26.836 1.256 1.00 0.00 O ATOM 916 CB GLU A 59 -4.494 29.891 0.352 1.00 0.00 C ATOM 917 CG GLU A 59 -4.598 31.404 0.456 1.00 0.00 C ATOM 918 CD GLU A 59 -3.467 32.118 -0.258 1.00 0.00 C ATOM 919 OE1 GLU A 59 -2.392 32.288 0.356 1.00 0.00 O ATOM 920 OE2 GLU A 59 -3.656 32.507 -1.429 1.00 0.00 O ATOM 0 H GLU A 59 -2.296 29.287 1.338 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.881 29.782 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.633 29.636 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.378 29.508 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.550 31.729 0.036 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.599 31.693 1.507 1.00 0.00 H new ATOM 927 N PRO A 60 -6.283 27.699 2.030 1.00 0.00 N ATOM 928 CA PRO A 60 -7.010 26.423 2.022 1.00 0.00 C ATOM 929 C PRO A 60 -7.068 25.788 0.640 1.00 0.00 C ATOM 930 O PRO A 60 -7.215 24.573 0.513 1.00 0.00 O ATOM 931 CB PRO A 60 -8.420 26.802 2.497 1.00 0.00 C ATOM 932 CG PRO A 60 -8.516 28.274 2.286 1.00 0.00 C ATOM 933 CD PRO A 60 -7.130 28.806 2.502 1.00 0.00 C ATOM 0 HA PRO A 60 -6.520 25.681 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.184 26.271 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.566 26.543 3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.871 28.503 1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.222 28.724 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.954 29.721 1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.944 29.040 3.550 1.00 0.00 H new ATOM 941 N GLN A 61 -6.950 26.609 -0.395 1.00 0.00 N ATOM 942 CA GLN A 61 -6.987 26.113 -1.763 1.00 0.00 C ATOM 943 C GLN A 61 -5.728 25.314 -2.080 1.00 0.00 C ATOM 944 O GLN A 61 -5.781 24.297 -2.774 1.00 0.00 O ATOM 945 CB GLN A 61 -7.134 27.276 -2.747 1.00 0.00 C ATOM 946 CG GLN A 61 -6.113 28.383 -2.542 1.00 0.00 C ATOM 947 CD GLN A 61 -5.115 28.473 -3.679 1.00 0.00 C ATOM 948 OE1 GLN A 61 -4.440 27.497 -4.007 1.00 0.00 O ATOM 949 NE2 GLN A 61 -5.014 29.651 -4.286 1.00 0.00 N ATOM 0 H GLN A 61 -6.828 27.618 -0.313 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.850 25.455 -1.865 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.043 26.894 -3.764 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.136 27.696 -2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.632 29.337 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.579 28.211 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.593 30.433 -3.981 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.357 29.773 -5.057 1.00 0.00 H new ATOM 958 N GLU A 62 -4.596 25.783 -1.567 1.00 0.00 N ATOM 959 CA GLU A 62 -3.322 25.116 -1.799 1.00 0.00 C ATOM 960 C GLU A 62 -3.265 23.770 -1.088 1.00 0.00 C ATOM 961 O GLU A 62 -2.870 22.766 -1.684 1.00 0.00 O ATOM 962 CB GLU A 62 -2.170 25.994 -1.321 1.00 0.00 C ATOM 963 CG GLU A 62 -1.589 26.886 -2.406 1.00 0.00 C ATOM 964 CD GLU A 62 -0.178 27.343 -2.092 1.00 0.00 C ATOM 965 OE1 GLU A 62 -0.028 28.386 -1.420 1.00 0.00 O ATOM 966 OE2 GLU A 62 0.777 26.658 -2.516 1.00 0.00 O ATOM 0 H GLU A 62 -4.535 26.621 -0.989 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.228 24.945 -2.871 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.518 26.618 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.379 25.357 -0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.590 26.347 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.229 27.759 -2.535 1.00 0.00 H new ATOM 973 N ARG A 63 -3.660 23.740 0.184 1.00 0.00 N ATOM 974 CA ARG A 63 -3.642 22.493 0.934 1.00 0.00 C ATOM 975 C ARG A 63 -4.605 21.500 0.315 1.00 0.00 C ATOM 976 O ARG A 63 -4.248 20.356 0.039 1.00 0.00 O ATOM 977 CB ARG A 63 -4.005 22.707 2.407 1.00 0.00 C ATOM 978 CG ARG A 63 -4.933 23.876 2.674 1.00 0.00 C ATOM 979 CD ARG A 63 -4.165 25.044 3.268 1.00 0.00 C ATOM 980 NE ARG A 63 -3.778 24.794 4.655 1.00 0.00 N ATOM 981 CZ ARG A 63 -4.641 24.729 5.666 1.00 0.00 C ATOM 982 NH1 ARG A 63 -5.939 24.897 5.453 1.00 0.00 N ATOM 983 NH2 ARG A 63 -4.203 24.495 6.896 1.00 0.00 N ATOM 0 H ARG A 63 -3.990 24.552 0.706 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.626 22.101 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.471 21.798 2.787 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.086 22.855 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.414 24.185 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.725 23.570 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.273 25.233 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.778 25.944 3.219 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.788 24.661 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.282 25.077 4.509 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.595 24.846 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.206 24.365 7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.863 24.445 7.672 1.00 0.00 H new ATOM 997 N ASP A 64 -5.832 21.952 0.097 1.00 0.00 N ATOM 998 CA ASP A 64 -6.858 21.108 -0.487 1.00 0.00 C ATOM 999 C ASP A 64 -6.399 20.530 -1.821 1.00 0.00 C ATOM 1000 O ASP A 64 -6.706 19.381 -2.135 1.00 0.00 O ATOM 1001 CB ASP A 64 -8.155 21.896 -0.679 1.00 0.00 C ATOM 1002 CG ASP A 64 -9.099 21.752 0.499 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -9.697 20.666 0.652 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -9.243 22.726 1.267 1.00 0.00 O ATOM 0 H ASP A 64 -6.139 22.900 0.317 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.042 20.283 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.918 22.950 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.654 21.553 -1.585 1.00 0.00 H new ATOM 1009 N LYS A 65 -5.664 21.316 -2.615 1.00 0.00 N ATOM 1010 CA LYS A 65 -5.190 20.826 -3.906 1.00 0.00 C ATOM 1011 C LYS A 65 -4.160 19.724 -3.711 1.00 0.00 C ATOM 1012 O LYS A 65 -4.263 18.651 -4.302 1.00 0.00 O ATOM 1013 CB LYS A 65 -4.587 21.975 -4.716 1.00 0.00 C ATOM 1014 CG LYS A 65 -4.065 21.555 -6.080 1.00 0.00 C ATOM 1015 CD LYS A 65 -3.000 22.516 -6.589 1.00 0.00 C ATOM 1016 CE LYS A 65 -1.603 21.941 -6.421 1.00 0.00 C ATOM 1017 NZ LYS A 65 -1.019 22.277 -5.092 1.00 0.00 N ATOM 0 H LYS A 65 -5.391 22.273 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.038 20.415 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.343 22.749 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.771 22.420 -4.146 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.649 20.549 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.891 21.516 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.180 22.735 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.073 23.460 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.640 20.858 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.955 22.325 -7.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.066 21.866 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.960 23.310 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.623 21.889 -4.339 1.00 0.00 H new ATOM 1031 N ALA A 66 -3.170 19.993 -2.872 1.00 0.00 N ATOM 1032 CA ALA A 66 -2.126 19.016 -2.591 1.00 0.00 C ATOM 1033 C ALA A 66 -2.734 17.750 -2.009 1.00 0.00 C ATOM 1034 O ALA A 66 -2.264 16.643 -2.265 1.00 0.00 O ATOM 1035 CB ALA A 66 -1.096 19.595 -1.632 1.00 0.00 C ATOM 0 H ALA A 66 -3.067 20.877 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.625 18.767 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.324 18.851 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.641 20.480 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.584 19.870 -0.697 1.00 0.00 H new ATOM 1041 N LEU A 67 -3.786 17.930 -1.220 1.00 0.00 N ATOM 1042 CA LEU A 67 -4.476 16.822 -0.586 1.00 0.00 C ATOM 1043 C LEU A 67 -5.224 15.985 -1.610 1.00 0.00 C ATOM 1044 O LEU A 67 -5.232 14.756 -1.541 1.00 0.00 O ATOM 1045 CB LEU A 67 -5.455 17.363 0.450 1.00 0.00 C ATOM 1046 CG LEU A 67 -4.832 18.126 1.627 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.353 17.571 2.934 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -3.308 18.067 1.599 1.00 0.00 C ATOM 0 H LEU A 67 -4.181 18.845 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.736 16.185 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.159 18.024 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.031 16.528 0.848 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.120 19.173 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.907 18.117 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.437 17.680 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.091 16.516 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.907 18.619 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.983 17.028 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.944 18.511 0.673 1.00 0.00 H new ATOM 1060 N GLN A 68 -5.846 16.658 -2.566 1.00 0.00 N ATOM 1061 CA GLN A 68 -6.589 15.971 -3.614 1.00 0.00 C ATOM 1062 C GLN A 68 -5.624 15.287 -4.578 1.00 0.00 C ATOM 1063 O GLN A 68 -5.852 14.154 -5.002 1.00 0.00 O ATOM 1064 CB GLN A 68 -7.509 16.955 -4.357 1.00 0.00 C ATOM 1065 CG GLN A 68 -6.924 17.523 -5.644 1.00 0.00 C ATOM 1066 CD GLN A 68 -7.680 18.739 -6.142 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -8.654 19.173 -5.527 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -7.233 19.295 -7.261 1.00 0.00 N ATOM 0 H GLN A 68 -5.852 17.675 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.217 15.206 -3.158 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.446 16.449 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.751 17.781 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.881 17.792 -5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.935 16.752 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.422 18.901 -7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.701 20.116 -7.645 1.00 0.00 H new ATOM 1077 N GLU A 69 -4.542 15.983 -4.915 1.00 0.00 N ATOM 1078 CA GLU A 69 -3.540 15.445 -5.821 1.00 0.00 C ATOM 1079 C GLU A 69 -2.821 14.261 -5.188 1.00 0.00 C ATOM 1080 O GLU A 69 -2.506 13.282 -5.863 1.00 0.00 O ATOM 1081 CB GLU A 69 -2.531 16.528 -6.209 1.00 0.00 C ATOM 1082 CG GLU A 69 -2.848 17.215 -7.527 1.00 0.00 C ATOM 1083 CD GLU A 69 -1.688 18.040 -8.048 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -1.088 18.791 -7.250 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -1.379 17.936 -9.254 1.00 0.00 O ATOM 0 H GLU A 69 -4.339 16.922 -4.572 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.048 15.100 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.494 17.278 -5.419 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.539 16.082 -6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.116 16.463 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.718 17.859 -7.397 1.00 0.00 H new ATOM 1092 N LEU A 70 -2.571 14.347 -3.887 1.00 0.00 N ATOM 1093 CA LEU A 70 -1.903 13.262 -3.187 1.00 0.00 C ATOM 1094 C LEU A 70 -2.814 12.043 -3.161 1.00 0.00 C ATOM 1095 O LEU A 70 -2.377 10.921 -3.416 1.00 0.00 O ATOM 1096 CB LEU A 70 -1.482 13.690 -1.771 1.00 0.00 C ATOM 1097 CG LEU A 70 -2.478 13.391 -0.648 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -2.352 11.944 -0.197 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -2.253 14.341 0.520 1.00 0.00 C ATOM 0 H LEU A 70 -2.818 15.146 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.988 13.001 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.539 13.199 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.289 14.763 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.489 13.542 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.067 11.748 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.557 11.282 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.341 11.764 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.967 14.119 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.239 14.217 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.391 15.369 0.185 1.00 0.00 H new ATOM 1111 N ARG A 71 -4.091 12.270 -2.858 1.00 0.00 N ATOM 1112 CA ARG A 71 -5.065 11.186 -2.811 1.00 0.00 C ATOM 1113 C ARG A 71 -5.066 10.435 -4.135 1.00 0.00 C ATOM 1114 O ARG A 71 -4.973 9.208 -4.162 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.463 11.738 -2.522 1.00 0.00 C ATOM 1116 CG ARG A 71 -7.565 10.690 -2.609 1.00 0.00 C ATOM 1117 CD ARG A 71 -8.238 10.474 -1.262 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.567 9.069 -1.033 1.00 0.00 N ATOM 1119 CZ ARG A 71 -7.656 8.106 -0.905 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -6.363 8.392 -0.984 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -8.040 6.855 -0.697 1.00 0.00 N ATOM 0 H ARG A 71 -4.472 13.191 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.789 10.500 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.471 12.179 -1.525 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.680 12.540 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.309 11.003 -3.342 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.145 9.748 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.580 10.826 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.148 11.072 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.552 8.811 -0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.062 9.353 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.670 7.650 -0.885 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.033 6.630 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.343 6.117 -0.599 1.00 0.00 H new ATOM 1135 N GLN A 72 -5.145 11.179 -5.233 1.00 0.00 N ATOM 1136 CA GLN A 72 -5.123 10.568 -6.552 1.00 0.00 C ATOM 1137 C GLN A 72 -3.781 9.872 -6.759 1.00 0.00 C ATOM 1138 O GLN A 72 -3.688 8.848 -7.438 1.00 0.00 O ATOM 1139 CB GLN A 72 -5.368 11.618 -7.644 1.00 0.00 C ATOM 1140 CG GLN A 72 -4.193 12.551 -7.890 1.00 0.00 C ATOM 1141 CD GLN A 72 -4.240 13.196 -9.262 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -4.932 14.192 -9.468 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -3.501 12.627 -10.207 1.00 0.00 N ATOM 0 H GLN A 72 -5.224 12.196 -5.234 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.924 9.831 -6.620 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.612 11.107 -8.575 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.239 12.214 -7.370 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.185 13.329 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.262 11.993 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.943 11.802 -9.990 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.492 13.015 -11.150 1.00 0.00 H new ATOM 1152 N GLU A 73 -2.746 10.442 -6.145 1.00 0.00 N ATOM 1153 CA GLU A 73 -1.403 9.894 -6.231 1.00 0.00 C ATOM 1154 C GLU A 73 -1.342 8.513 -5.589 1.00 0.00 C ATOM 1155 O GLU A 73 -0.745 7.592 -6.144 1.00 0.00 O ATOM 1156 CB GLU A 73 -0.401 10.829 -5.550 1.00 0.00 C ATOM 1157 CG GLU A 73 1.039 10.590 -5.975 1.00 0.00 C ATOM 1158 CD GLU A 73 1.345 11.163 -7.345 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.418 12.404 -7.468 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.512 10.369 -8.295 1.00 0.00 O ATOM 0 H GLU A 73 -2.818 11.288 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.142 9.801 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.670 11.861 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.478 10.706 -4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.710 11.036 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.239 9.519 -5.980 1.00 0.00 H new ATOM 1167 N LEU A 74 -1.991 8.359 -4.433 1.00 0.00 N ATOM 1168 CA LEU A 74 -2.028 7.071 -3.757 1.00 0.00 C ATOM 1169 C LEU A 74 -2.850 6.079 -4.568 1.00 0.00 C ATOM 1170 O LEU A 74 -2.458 4.934 -4.753 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.617 7.224 -2.348 1.00 0.00 C ATOM 1172 CG LEU A 74 -1.964 8.299 -1.470 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.151 7.967 0.003 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.482 8.445 -1.798 1.00 0.00 C ATOM 0 H LEU A 74 -2.493 9.106 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.010 6.693 -3.667 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.679 7.451 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.540 6.265 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.453 9.250 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.682 8.739 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.215 7.920 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.690 7.004 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.043 9.213 -1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.025 7.496 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.367 8.730 -2.844 1.00 0.00 H new ATOM 1186 N ASN A 75 -4.007 6.539 -5.035 1.00 0.00 N ATOM 1187 CA ASN A 75 -4.912 5.703 -5.820 1.00 0.00 C ATOM 1188 C ASN A 75 -4.194 5.103 -7.028 1.00 0.00 C ATOM 1189 O ASN A 75 -4.436 3.955 -7.401 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.143 6.522 -6.250 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.334 6.592 -7.755 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.872 5.670 -8.368 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -5.894 7.690 -8.357 1.00 0.00 N ATOM 0 H ASN A 75 -4.342 7.490 -4.883 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.250 4.873 -5.199 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.034 6.085 -5.799 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.050 7.534 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.996 7.794 -9.367 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.454 8.430 -7.810 1.00 0.00 H new ATOM 1200 N THR A 76 -3.303 5.885 -7.627 1.00 0.00 N ATOM 1201 CA THR A 76 -2.543 5.422 -8.784 1.00 0.00 C ATOM 1202 C THR A 76 -1.361 4.560 -8.344 1.00 0.00 C ATOM 1203 O THR A 76 -0.962 3.629 -9.043 1.00 0.00 O ATOM 1204 CB THR A 76 -2.047 6.610 -9.610 1.00 0.00 C ATOM 1205 OG1 THR A 76 -1.398 6.165 -10.789 1.00 0.00 O ATOM 1206 CG2 THR A 76 -1.077 7.498 -8.862 1.00 0.00 C ATOM 0 H THR A 76 -3.089 6.838 -7.333 1.00 0.00 H new ATOM 0 HA THR A 76 -3.204 4.816 -9.403 1.00 0.00 H new ATOM 0 HB THR A 76 -2.940 7.190 -9.844 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.089 6.939 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.765 8.320 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.562 7.898 -7.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.203 6.916 -8.568 1.00 0.00 H new ATOM 1214 N LEU A 77 -0.803 4.887 -7.181 1.00 0.00 N ATOM 1215 CA LEU A 77 0.339 4.157 -6.636 1.00 0.00 C ATOM 1216 C LEU A 77 -0.072 2.799 -6.065 1.00 0.00 C ATOM 1217 O LEU A 77 0.720 1.858 -6.051 1.00 0.00 O ATOM 1218 CB LEU A 77 1.021 4.998 -5.552 1.00 0.00 C ATOM 1219 CG LEU A 77 2.347 5.638 -5.967 1.00 0.00 C ATOM 1220 CD1 LEU A 77 2.688 6.805 -5.053 1.00 0.00 C ATOM 1221 CD2 LEU A 77 3.464 4.604 -5.953 1.00 0.00 C ATOM 0 H LEU A 77 -1.125 5.657 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 77 1.037 3.972 -7.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.336 5.787 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.197 4.367 -4.681 1.00 0.00 H new ATOM 0 HG LEU A 77 2.242 6.019 -6.983 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.635 7.247 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.900 7.556 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.774 6.450 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.400 5.076 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.568 4.194 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.225 3.801 -6.650 1.00 0.00 H new ATOM 1233 N ALA A 78 -1.303 2.709 -5.580 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.814 1.475 -4.990 1.00 0.00 C ATOM 1235 C ALA A 78 -2.153 0.427 -6.046 1.00 0.00 C ATOM 1236 O ALA A 78 -2.034 -0.772 -5.797 1.00 0.00 O ATOM 1237 CB ALA A 78 -3.038 1.776 -4.138 1.00 0.00 C ATOM 0 H ALA A 78 -1.971 3.480 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.024 1.059 -4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.414 0.851 -3.701 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.766 2.469 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.813 2.224 -4.760 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.585 0.879 -7.220 1.00 0.00 N ATOM 1244 CA ASN A 79 -2.952 -0.036 -8.298 1.00 0.00 C ATOM 1245 C ASN A 79 -1.838 -1.047 -8.584 1.00 0.00 C ATOM 1246 O ASN A 79 -2.088 -2.251 -8.643 1.00 0.00 O ATOM 1247 CB ASN A 79 -3.278 0.749 -9.570 1.00 0.00 C ATOM 1248 CG ASN A 79 -4.752 1.089 -9.678 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.123 2.255 -9.822 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -5.602 0.070 -9.606 1.00 0.00 N ATOM 0 H ASN A 79 -2.689 1.867 -7.449 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.834 -0.588 -7.975 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.694 1.669 -9.586 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.978 0.166 -10.441 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.606 0.238 -9.670 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.250 -0.880 -9.486 1.00 0.00 H new ATOM 1257 N PRO A 80 -0.589 -0.577 -8.765 1.00 0.00 N ATOM 1258 CA PRO A 80 0.547 -1.458 -9.046 1.00 0.00 C ATOM 1259 C PRO A 80 0.943 -2.312 -7.845 1.00 0.00 C ATOM 1260 O PRO A 80 1.342 -3.470 -8.002 1.00 0.00 O ATOM 1261 CB PRO A 80 1.674 -0.492 -9.411 1.00 0.00 C ATOM 1262 CG PRO A 80 1.314 0.785 -8.738 1.00 0.00 C ATOM 1263 CD PRO A 80 -0.189 0.842 -8.725 1.00 0.00 C ATOM 0 HA PRO A 80 0.312 -2.174 -9.833 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.639 -0.862 -9.066 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.750 -0.362 -10.491 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.714 0.817 -7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.732 1.638 -9.273 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.564 1.339 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.577 1.392 -9.582 1.00 0.00 H new ATOM 1271 N PHE A 81 0.816 -1.756 -6.640 1.00 0.00 N ATOM 1272 CA PHE A 81 1.152 -2.488 -5.427 1.00 0.00 C ATOM 1273 C PHE A 81 0.198 -3.663 -5.254 1.00 0.00 C ATOM 1274 O PHE A 81 0.623 -4.810 -5.106 1.00 0.00 O ATOM 1275 CB PHE A 81 1.067 -1.537 -4.224 1.00 0.00 C ATOM 1276 CG PHE A 81 1.073 -2.209 -2.877 1.00 0.00 C ATOM 1277 CD1 PHE A 81 1.715 -3.422 -2.681 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.437 -1.611 -1.801 1.00 0.00 C ATOM 1279 CE1 PHE A 81 1.720 -4.024 -1.437 1.00 0.00 C ATOM 1280 CE2 PHE A 81 0.440 -2.206 -0.555 1.00 0.00 C ATOM 1281 CZ PHE A 81 1.081 -3.416 -0.372 1.00 0.00 C ATOM 0 H PHE A 81 0.484 -0.805 -6.482 1.00 0.00 H new ATOM 0 HA PHE A 81 2.167 -2.878 -5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.906 -0.842 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.157 -0.944 -4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.216 -3.901 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.068 -0.666 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.223 -4.969 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.058 -1.726 0.275 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.083 -3.886 0.600 1.00 0.00 H new ATOM 1291 N LEU A 82 -1.098 -3.367 -5.282 1.00 0.00 N ATOM 1292 CA LEU A 82 -2.120 -4.394 -5.140 1.00 0.00 C ATOM 1293 C LEU A 82 -1.977 -5.443 -6.237 1.00 0.00 C ATOM 1294 O LEU A 82 -2.337 -6.604 -6.048 1.00 0.00 O ATOM 1295 CB LEU A 82 -3.515 -3.767 -5.189 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.821 -2.782 -4.059 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.991 -1.887 -4.436 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.113 -3.530 -2.766 1.00 0.00 C ATOM 0 H LEU A 82 -1.464 -2.422 -5.402 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.988 -4.880 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.632 -3.251 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.257 -4.565 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.945 -2.153 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.195 -1.193 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.744 -1.326 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.873 -2.500 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.329 -2.815 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.974 -4.183 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.246 -4.129 -2.488 1.00 0.00 H new ATOM 1310 N ALA A 83 -1.440 -5.029 -7.384 1.00 0.00 N ATOM 1311 CA ALA A 83 -1.240 -5.940 -8.501 1.00 0.00 C ATOM 1312 C ALA A 83 -0.140 -6.941 -8.178 1.00 0.00 C ATOM 1313 O ALA A 83 -0.253 -8.129 -8.479 1.00 0.00 O ATOM 1314 CB ALA A 83 -0.900 -5.165 -9.765 1.00 0.00 C ATOM 0 H ALA A 83 -1.138 -4.071 -7.560 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.167 -6.488 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.754 -5.862 -10.591 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.717 -4.484 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.014 -4.593 -9.606 1.00 0.00 H new ATOM 1320 N LYS A 84 0.927 -6.452 -7.553 1.00 0.00 N ATOM 1321 CA LYS A 84 2.043 -7.310 -7.179 1.00 0.00 C ATOM 1322 C LYS A 84 1.609 -8.327 -6.128 1.00 0.00 C ATOM 1323 O LYS A 84 1.978 -9.502 -6.192 1.00 0.00 O ATOM 1324 CB LYS A 84 3.206 -6.475 -6.637 1.00 0.00 C ATOM 1325 CG LYS A 84 4.126 -5.934 -7.720 1.00 0.00 C ATOM 1326 CD LYS A 84 5.012 -7.027 -8.296 1.00 0.00 C ATOM 1327 CE LYS A 84 4.412 -7.630 -9.556 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.932 -9.023 -9.333 1.00 0.00 N ATOM 0 H LYS A 84 1.041 -5.471 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 84 2.373 -7.841 -8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.805 -5.640 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.790 -7.085 -5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.530 -5.490 -8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.748 -5.140 -7.307 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.996 -6.617 -8.522 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.156 -7.809 -7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.582 -7.010 -9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.158 -7.626 -10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.614 -9.695 -9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.839 -9.199 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.007 -9.149 -9.791 1.00 0.00 H new ATOM 1342 N TYR A 85 0.830 -7.866 -5.153 1.00 0.00 N ATOM 1343 CA TYR A 85 0.361 -8.738 -4.083 1.00 0.00 C ATOM 1344 C TYR A 85 -0.743 -9.676 -4.556 1.00 0.00 C ATOM 1345 O TYR A 85 -0.787 -10.835 -4.151 1.00 0.00 O ATOM 1346 CB TYR A 85 -0.120 -7.922 -2.883 1.00 0.00 C ATOM 1347 CG TYR A 85 0.354 -8.484 -1.563 1.00 0.00 C ATOM 1348 CD1 TYR A 85 1.711 -8.607 -1.290 1.00 0.00 C ATOM 1349 CD2 TYR A 85 -0.550 -8.903 -0.596 1.00 0.00 C ATOM 1350 CE1 TYR A 85 2.154 -9.131 -0.091 1.00 0.00 C ATOM 1351 CE2 TYR A 85 -0.115 -9.427 0.607 1.00 0.00 C ATOM 1352 CZ TYR A 85 1.238 -9.538 0.854 1.00 0.00 C ATOM 1353 OH TYR A 85 1.678 -10.060 2.048 1.00 0.00 O ATOM 0 H TYR A 85 0.512 -6.899 -5.083 1.00 0.00 H new ATOM 0 HA TYR A 85 1.210 -9.349 -3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.233 -6.896 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.209 -7.887 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.432 -8.287 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.610 -8.818 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.212 -9.221 0.104 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.830 -9.748 1.350 1.00 0.00 H new ATOM 0 HH TYR A 85 1.422 -11.004 2.106 1.00 0.00 H new ATOM 1363 N ARG A 86 -1.630 -9.185 -5.414 1.00 0.00 N ATOM 1364 CA ARG A 86 -2.712 -10.019 -5.924 1.00 0.00 C ATOM 1365 C ARG A 86 -2.137 -11.148 -6.774 1.00 0.00 C ATOM 1366 O ARG A 86 -2.613 -12.282 -6.727 1.00 0.00 O ATOM 1367 CB ARG A 86 -3.717 -9.190 -6.731 1.00 0.00 C ATOM 1368 CG ARG A 86 -3.212 -8.763 -8.098 1.00 0.00 C ATOM 1369 CD ARG A 86 -4.232 -7.897 -8.816 1.00 0.00 C ATOM 1370 NE ARG A 86 -5.537 -8.551 -8.904 1.00 0.00 N ATOM 1371 CZ ARG A 86 -6.700 -7.938 -8.687 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -6.737 -6.645 -8.384 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -7.833 -8.619 -8.780 1.00 0.00 N ATOM 0 H ARG A 86 -1.623 -8.228 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.246 -10.449 -5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.631 -9.770 -6.858 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.981 -8.301 -6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.278 -8.213 -7.987 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.993 -9.645 -8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.336 -6.948 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.872 -7.668 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.558 -9.541 -9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.870 -6.112 -8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.632 -6.185 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -7.814 -9.611 -9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -8.724 -8.151 -8.614 1.00 0.00 H new ATOM 1387 N ASP A 87 -1.085 -10.833 -7.524 1.00 0.00 N ATOM 1388 CA ASP A 87 -0.414 -11.824 -8.355 1.00 0.00 C ATOM 1389 C ASP A 87 0.374 -12.776 -7.464 1.00 0.00 C ATOM 1390 O ASP A 87 0.477 -13.969 -7.739 1.00 0.00 O ATOM 1391 CB ASP A 87 0.523 -11.141 -9.355 1.00 0.00 C ATOM 1392 CG ASP A 87 -0.204 -10.663 -10.596 1.00 0.00 C ATOM 1393 OD1 ASP A 87 -0.964 -9.678 -10.495 1.00 0.00 O ATOM 1394 OD2 ASP A 87 -0.012 -11.273 -11.668 1.00 0.00 O ATOM 0 H ASP A 87 -0.680 -9.898 -7.572 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.162 -12.385 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.009 -10.293 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.311 -11.837 -9.644 1.00 0.00 H new ATOM 1399 N PHE A 88 0.913 -12.222 -6.383 1.00 0.00 N ATOM 1400 CA PHE A 88 1.683 -12.982 -5.406 1.00 0.00 C ATOM 1401 C PHE A 88 0.767 -13.888 -4.579 1.00 0.00 C ATOM 1402 O PHE A 88 1.178 -14.946 -4.109 1.00 0.00 O ATOM 1403 CB PHE A 88 2.451 -12.024 -4.493 1.00 0.00 C ATOM 1404 CG PHE A 88 3.198 -12.708 -3.386 1.00 0.00 C ATOM 1405 CD1 PHE A 88 4.186 -13.638 -3.666 1.00 0.00 C ATOM 1406 CD2 PHE A 88 2.912 -12.417 -2.063 1.00 0.00 C ATOM 1407 CE1 PHE A 88 4.874 -14.268 -2.646 1.00 0.00 C ATOM 1408 CE2 PHE A 88 3.594 -13.041 -1.040 1.00 0.00 C ATOM 1409 CZ PHE A 88 4.577 -13.968 -1.331 1.00 0.00 C ATOM 0 H PHE A 88 0.828 -11.230 -6.160 1.00 0.00 H new ATOM 0 HA PHE A 88 2.394 -13.615 -5.937 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.157 -11.451 -5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.750 -11.311 -4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.421 -13.874 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.146 -11.693 -1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.641 -14.992 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.360 -12.806 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.112 -14.457 -0.531 1.00 0.00 H new ATOM 1419 N LEU A 89 -0.484 -13.463 -4.427 1.00 0.00 N ATOM 1420 CA LEU A 89 -1.460 -14.247 -3.675 1.00 0.00 C ATOM 1421 C LEU A 89 -1.908 -15.442 -4.516 1.00 0.00 C ATOM 1422 O LEU A 89 -1.994 -16.570 -4.031 1.00 0.00 O ATOM 1423 CB LEU A 89 -2.671 -13.379 -3.313 1.00 0.00 C ATOM 1424 CG LEU A 89 -2.790 -13.003 -1.834 1.00 0.00 C ATOM 1425 CD1 LEU A 89 -3.004 -14.244 -0.982 1.00 0.00 C ATOM 1426 CD2 LEU A 89 -1.557 -12.238 -1.373 1.00 0.00 C ATOM 0 H LEU A 89 -0.844 -12.589 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.999 -14.604 -2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.629 -12.462 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.577 -13.907 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.657 -12.354 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.086 -13.956 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.920 -14.746 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.159 -14.921 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.662 -11.980 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.672 -12.859 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.454 -11.326 -1.961 1.00 0.00 H new ATOM 1438 N LYS A 90 -2.203 -15.162 -5.778 1.00 0.00 N ATOM 1439 CA LYS A 90 -2.661 -16.186 -6.711 1.00 0.00 C ATOM 1440 C LYS A 90 -1.510 -17.073 -7.183 1.00 0.00 C ATOM 1441 O LYS A 90 -1.698 -18.261 -7.442 1.00 0.00 O ATOM 1442 CB LYS A 90 -3.344 -15.537 -7.918 1.00 0.00 C ATOM 1443 CG LYS A 90 -4.546 -16.317 -8.429 1.00 0.00 C ATOM 1444 CD LYS A 90 -4.754 -16.106 -9.921 1.00 0.00 C ATOM 1445 CE LYS A 90 -5.877 -16.980 -10.457 1.00 0.00 C ATOM 1446 NZ LYS A 90 -6.458 -16.430 -11.713 1.00 0.00 N ATOM 0 H LYS A 90 -2.133 -14.228 -6.183 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.378 -16.815 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.663 -14.531 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.618 -15.435 -8.725 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.405 -17.379 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.440 -16.006 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.984 -15.058 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.830 -16.332 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.498 -17.985 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.659 -17.068 -9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.220 -17.055 -12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.843 -15.481 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.717 -16.369 -12.441 1.00 0.00 H new ATOM 1460 N SER A 91 -0.330 -16.482 -7.326 1.00 0.00 N ATOM 1461 CA SER A 91 0.840 -17.212 -7.807 1.00 0.00 C ATOM 1462 C SER A 91 1.547 -18.003 -6.706 1.00 0.00 C ATOM 1463 O SER A 91 2.328 -18.908 -7.002 1.00 0.00 O ATOM 1464 CB SER A 91 1.830 -16.242 -8.452 1.00 0.00 C ATOM 1465 OG SER A 91 1.254 -15.593 -9.573 1.00 0.00 O ATOM 0 H SER A 91 -0.156 -15.499 -7.116 1.00 0.00 H new ATOM 0 HA SER A 91 0.479 -17.933 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.144 -15.498 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.724 -16.783 -8.761 1.00 0.00 H new ATOM 0 HG SER A 91 0.650 -14.884 -9.266 1.00 0.00 H new ATOM 1471 N HIS A 92 1.275 -17.689 -5.441 1.00 0.00 N ATOM 1472 CA HIS A 92 1.906 -18.423 -4.347 1.00 0.00 C ATOM 1473 C HIS A 92 1.066 -19.631 -3.942 1.00 0.00 C ATOM 1474 O HIS A 92 -0.127 -19.511 -3.669 1.00 0.00 O ATOM 1475 CB HIS A 92 2.213 -17.507 -3.150 1.00 0.00 C ATOM 1476 CG HIS A 92 1.080 -17.274 -2.192 1.00 0.00 C ATOM 1477 ND1 HIS A 92 0.662 -16.012 -1.828 1.00 0.00 N ATOM 1478 CD2 HIS A 92 0.312 -18.139 -1.485 1.00 0.00 C ATOM 1479 CE1 HIS A 92 -0.307 -16.108 -0.939 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -0.541 -17.387 -0.714 1.00 0.00 N ATOM 0 H HIS A 92 0.636 -16.948 -5.152 1.00 0.00 H new ATOM 0 HA HIS A 92 2.864 -18.798 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.049 -17.934 -2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.544 -16.541 -3.532 1.00 0.00 H new ATOM 0 HD1 HIS A 92 1.044 -15.138 -2.191 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.361 -19.217 -1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.822 -15.280 -0.474 1.00 0.00 H new ATOM 1489 N GLU A 93 1.701 -20.801 -3.936 1.00 0.00 N ATOM 1490 CA GLU A 93 1.022 -22.050 -3.589 1.00 0.00 C ATOM 1491 C GLU A 93 0.280 -21.931 -2.258 1.00 0.00 C ATOM 1492 O GLU A 93 0.817 -22.266 -1.202 1.00 0.00 O ATOM 1493 CB GLU A 93 2.029 -23.202 -3.528 1.00 0.00 C ATOM 1494 CG GLU A 93 2.022 -24.079 -4.769 1.00 0.00 C ATOM 1495 CD GLU A 93 0.768 -24.923 -4.880 1.00 0.00 C ATOM 1496 OE1 GLU A 93 -0.227 -24.435 -5.456 1.00 0.00 O ATOM 1497 OE2 GLU A 93 0.781 -26.072 -4.389 1.00 0.00 O ATOM 0 H GLU A 93 2.688 -20.911 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 93 0.287 -22.257 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.029 -22.793 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.812 -23.818 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.111 -23.450 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.895 -24.732 -4.753 1.00 0.00 H new ATOM 1504 N LEU A 94 -0.958 -21.450 -2.320 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.779 -21.282 -1.127 1.00 0.00 C ATOM 1506 C LEU A 94 -1.972 -22.612 -0.406 1.00 0.00 C ATOM 1507 O LEU A 94 -2.402 -23.584 -1.063 1.00 0.00 O ATOM 1508 CB LEU A 94 -3.140 -20.684 -1.499 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.263 -19.174 -1.292 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -4.401 -18.610 -2.131 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.474 -18.854 0.181 1.00 0.00 C ATOM 1512 OXT LEU A 94 -1.692 -22.672 0.810 1.00 0.00 O ATOM 0 H LEU A 94 -1.415 -21.169 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.262 -20.598 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.345 -20.910 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.911 -21.180 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.334 -18.705 -1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.473 -17.534 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.208 -18.807 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.338 -19.084 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.559 -17.775 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.388 -19.335 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.626 -19.223 0.758 1.00 0.00 H new TER 1524 LEU A 94