USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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: C 11 SER OG : rot 180:sc= 0 USER MOD Set 1.2: C 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 13 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.99) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.00531) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00205 USER MOD Single : A 7 LYS NZ :NH3+ -161:sc= -0.0538 (180deg=-0.46) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.885 X(o=-0.89,f=-0.58) USER MOD Single : A 29 GLN : amide:sc= -0.0295 K(o=-0.029,f=-0.61) USER MOD Single : A 35 ASN : amide:sc= -0.0497 K(o=-0.05,f=-1.8) USER MOD Single : A 38 LYS NZ :NH3+ -104:sc= -0.584 (180deg=-2.68!) USER MOD Single : A 43 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.693 K(o=0.69,f=-0.76) USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0.00797 USER MOD Single : C 7 LYS NZ :NH3+ -163:sc= -0.0275 (180deg=-0.282) USER MOD Single : C 13 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.14) USER MOD Single : C 19 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 28 GLN : amide:sc= -0.413 X(o=-0.41,f=-0.21) USER MOD Single : C 29 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : C 35 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.3!) USER MOD Single : C 38 LYS NZ :NH3+ 160:sc= -0.481 (180deg=-1.06) USER MOD Single : C 43 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-2.6) USER MOD Single : C 48 TYR OH : rot 180:sc= 0 USER MOD Single : C 49 GLN : amide:sc= 0.878 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.999 3.072 -1.691 1.00 0.00 N ATOM 2 CA MET A 1 -11.976 2.489 -0.801 1.00 0.00 C ATOM 3 C MET A 1 -12.021 0.974 -0.859 1.00 0.00 C ATOM 4 O MET A 1 -13.083 0.387 -0.710 1.00 0.00 O ATOM 5 CB MET A 1 -12.209 2.911 0.651 1.00 0.00 C ATOM 6 CG MET A 1 -11.199 2.247 1.588 1.00 0.00 C ATOM 7 SD MET A 1 -9.527 2.924 1.492 1.00 0.00 S ATOM 8 CE MET A 1 -9.797 4.344 2.575 1.00 0.00 C ATOM 0 H1 MET A 1 -12.954 4.110 -1.639 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.823 2.767 -2.669 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.942 2.751 -1.393 1.00 0.00 H new ATOM 0 HA MET A 1 -11.007 2.852 -1.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.129 3.995 0.735 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.221 2.642 0.953 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.557 2.342 2.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.159 1.181 1.362 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.861 4.887 2.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.541 5.005 2.130 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.152 3.999 3.546 1.00 0.00 H new ATOM 20 N LEU A 2 -10.864 0.343 -1.071 1.00 0.00 N ATOM 21 CA LEU A 2 -10.745 -1.101 -1.024 1.00 0.00 C ATOM 22 C LEU A 2 -9.626 -1.419 -0.032 1.00 0.00 C ATOM 23 O LEU A 2 -8.453 -1.175 -0.320 1.00 0.00 O ATOM 24 CB LEU A 2 -10.489 -1.621 -2.443 1.00 0.00 C ATOM 25 CG LEU A 2 -10.571 -3.144 -2.611 1.00 0.00 C ATOM 26 CD1 LEU A 2 -9.169 -3.727 -2.619 1.00 0.00 C ATOM 27 CD2 LEU A 2 -11.360 -3.858 -1.517 1.00 0.00 C ATOM 0 H LEU A 2 -9.989 0.825 -1.279 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.652 -1.599 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.211 -1.159 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.500 -1.290 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.098 -3.305 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.226 -4.809 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.602 -3.300 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.672 -3.491 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.367 -4.930 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.893 -3.670 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -12.384 -3.485 -1.504 1.00 0.00 H new ATOM 39 N ILE A 3 -10.002 -1.957 1.134 1.00 0.00 N ATOM 40 CA ILE A 3 -9.059 -2.311 2.176 1.00 0.00 C ATOM 41 C ILE A 3 -8.487 -3.693 1.884 1.00 0.00 C ATOM 42 O ILE A 3 -9.186 -4.569 1.378 1.00 0.00 O ATOM 43 CB ILE A 3 -9.728 -2.335 3.565 1.00 0.00 C ATOM 44 CG1 ILE A 3 -10.159 -0.942 4.042 1.00 0.00 C ATOM 45 CG2 ILE A 3 -8.713 -2.852 4.586 1.00 0.00 C ATOM 46 CD1 ILE A 3 -11.553 -0.564 3.548 1.00 0.00 C ATOM 0 H ILE A 3 -10.974 -2.156 1.372 1.00 0.00 H new ATOM 0 HA ILE A 3 -8.271 -1.558 2.187 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.611 -2.968 3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.142 -0.913 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.439 -0.202 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.171 -2.875 5.575 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.398 -3.858 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.846 -2.192 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -11.811 0.430 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.566 -0.565 2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.279 -1.287 3.920 1.00 0.00 H new ATOM 58 N LEU A 4 -7.209 -3.879 2.215 1.00 0.00 N ATOM 59 CA LEU A 4 -6.541 -5.163 2.164 1.00 0.00 C ATOM 60 C LEU A 4 -5.585 -5.239 3.344 1.00 0.00 C ATOM 61 O LEU A 4 -4.853 -4.283 3.613 1.00 0.00 O ATOM 62 CB LEU A 4 -5.758 -5.308 0.856 1.00 0.00 C ATOM 63 CG LEU A 4 -6.661 -5.367 -0.380 1.00 0.00 C ATOM 64 CD1 LEU A 4 -5.802 -5.356 -1.640 1.00 0.00 C ATOM 65 CD2 LEU A 4 -7.504 -6.643 -0.395 1.00 0.00 C ATOM 0 H LEU A 4 -6.604 -3.121 2.531 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.276 -5.966 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.070 -4.469 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.153 -6.213 0.900 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.322 -4.501 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.445 -5.398 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.209 -4.442 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.138 -6.220 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.133 -6.653 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.847 -7.513 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.133 -6.674 0.494 1.00 0.00 H new ATOM 77 N THR A 5 -5.580 -6.369 4.052 1.00 0.00 N ATOM 78 CA THR A 5 -4.630 -6.585 5.133 1.00 0.00 C ATOM 79 C THR A 5 -3.405 -7.283 4.566 1.00 0.00 C ATOM 80 O THR A 5 -3.523 -8.074 3.631 1.00 0.00 O ATOM 81 CB THR A 5 -5.241 -7.443 6.244 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.818 -8.615 5.712 1.00 0.00 O ATOM 83 CG2 THR A 5 -6.319 -6.651 6.968 1.00 0.00 C ATOM 0 H THR A 5 -6.223 -7.145 3.894 1.00 0.00 H new ATOM 0 HA THR A 5 -4.358 -5.622 5.564 1.00 0.00 H new ATOM 0 HB THR A 5 -4.446 -7.720 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.201 -9.150 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.752 -7.264 7.758 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.880 -5.754 7.404 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.098 -6.367 6.261 1.00 0.00 H new ATOM 91 N ARG A 6 -2.228 -6.989 5.124 1.00 0.00 N ATOM 92 CA ARG A 6 -0.999 -7.611 4.673 1.00 0.00 C ATOM 93 C ARG A 6 -0.004 -7.713 5.822 1.00 0.00 C ATOM 94 O ARG A 6 0.084 -6.799 6.636 1.00 0.00 O ATOM 95 CB ARG A 6 -0.453 -6.749 3.528 1.00 0.00 C ATOM 96 CG ARG A 6 0.542 -7.470 2.620 1.00 0.00 C ATOM 97 CD ARG A 6 -0.118 -8.554 1.760 1.00 0.00 C ATOM 98 NE ARG A 6 -0.348 -9.797 2.508 1.00 0.00 N ATOM 99 CZ ARG A 6 -1.465 -10.525 2.474 1.00 0.00 C ATOM 100 NH1 ARG A 6 -2.505 -10.167 1.724 1.00 0.00 N ATOM 101 NH2 ARG A 6 -1.542 -11.634 3.204 1.00 0.00 N ATOM 0 H ARG A 6 -2.109 -6.324 5.888 1.00 0.00 H new ATOM 0 HA ARG A 6 -1.176 -8.628 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.289 -6.396 2.924 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.030 -5.868 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.027 -6.742 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.323 -7.923 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.068 -8.182 1.377 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.513 -8.764 0.897 1.00 0.00 H new ATOM 0 HE ARG A 6 0.410 -10.131 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.458 -9.319 1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.349 -10.740 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.752 -11.920 3.782 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.391 -12.199 3.186 1.00 0.00 H new ATOM 115 N LYS A 7 0.745 -8.817 5.895 1.00 0.00 N ATOM 116 CA LYS A 7 1.786 -8.988 6.904 1.00 0.00 C ATOM 117 C LYS A 7 3.096 -8.462 6.319 1.00 0.00 C ATOM 118 O LYS A 7 3.282 -8.495 5.102 1.00 0.00 O ATOM 119 CB LYS A 7 1.916 -10.480 7.245 1.00 0.00 C ATOM 120 CG LYS A 7 2.207 -10.771 8.719 1.00 0.00 C ATOM 121 CD LYS A 7 0.997 -10.465 9.605 1.00 0.00 C ATOM 122 CE LYS A 7 1.203 -10.982 11.030 1.00 0.00 C ATOM 123 NZ LYS A 7 1.352 -12.450 11.062 1.00 0.00 N ATOM 0 H LYS A 7 0.646 -9.609 5.261 1.00 0.00 H new ATOM 0 HA LYS A 7 1.541 -8.442 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.993 -10.986 6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.713 -10.910 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.488 -11.818 8.835 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.058 -10.175 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.824 -9.389 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.105 -10.922 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.089 -10.517 11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.356 -10.689 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.168 -12.797 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.673 -12.882 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.320 -12.707 10.780 1.00 0.00 H new ATOM 137 N VAL A 8 4.013 -7.977 7.161 1.00 0.00 N ATOM 138 CA VAL A 8 5.284 -7.478 6.655 1.00 0.00 C ATOM 139 C VAL A 8 5.985 -8.584 5.870 1.00 0.00 C ATOM 140 O VAL A 8 6.031 -9.730 6.311 1.00 0.00 O ATOM 141 CB VAL A 8 6.164 -6.925 7.783 1.00 0.00 C ATOM 142 CG1 VAL A 8 5.415 -5.822 8.534 1.00 0.00 C ATOM 143 CG2 VAL A 8 6.589 -7.995 8.785 1.00 0.00 C ATOM 0 H VAL A 8 3.899 -7.922 8.173 1.00 0.00 H new ATOM 0 HA VAL A 8 5.095 -6.642 5.982 1.00 0.00 H new ATOM 0 HB VAL A 8 7.065 -6.534 7.310 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.046 -5.434 9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.167 -5.016 7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.498 -6.230 8.960 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.209 -7.543 9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.704 -8.438 9.242 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.158 -8.770 8.271 1.00 0.00 H new ATOM 153 N GLY A 9 6.532 -8.245 4.700 1.00 0.00 N ATOM 154 CA GLY A 9 7.229 -9.204 3.857 1.00 0.00 C ATOM 155 C GLY A 9 6.360 -9.732 2.714 1.00 0.00 C ATOM 156 O GLY A 9 6.819 -10.583 1.955 1.00 0.00 O ATOM 0 H GLY A 9 6.501 -7.300 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.121 -8.735 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.565 -10.042 4.469 1.00 0.00 H new ATOM 160 N GLU A 10 5.122 -9.244 2.578 1.00 0.00 N ATOM 161 CA GLU A 10 4.230 -9.667 1.501 1.00 0.00 C ATOM 162 C GLU A 10 3.929 -8.496 0.552 1.00 0.00 C ATOM 163 O GLU A 10 4.490 -7.411 0.713 1.00 0.00 O ATOM 164 CB GLU A 10 2.955 -10.269 2.100 1.00 0.00 C ATOM 165 CG GLU A 10 3.275 -11.478 2.984 1.00 0.00 C ATOM 166 CD GLU A 10 1.995 -12.094 3.545 1.00 0.00 C ATOM 167 OE1 GLU A 10 1.203 -11.332 4.144 1.00 0.00 O ATOM 168 OE2 GLU A 10 1.816 -13.318 3.371 1.00 0.00 O ATOM 0 H GLU A 10 4.716 -8.551 3.207 1.00 0.00 H new ATOM 0 HA GLU A 10 4.718 -10.437 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.434 -9.513 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.280 -10.570 1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.819 -12.224 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.926 -11.173 3.803 1.00 0.00 H new ATOM 175 N SER A 11 3.052 -8.708 -0.439 1.00 0.00 N ATOM 176 CA SER A 11 2.849 -7.726 -1.502 1.00 0.00 C ATOM 177 C SER A 11 1.388 -7.589 -1.932 1.00 0.00 C ATOM 178 O SER A 11 0.528 -8.375 -1.534 1.00 0.00 O ATOM 179 CB SER A 11 3.695 -8.122 -2.713 1.00 0.00 C ATOM 180 OG SER A 11 5.056 -8.241 -2.346 1.00 0.00 O ATOM 0 H SER A 11 2.477 -9.546 -0.523 1.00 0.00 H new ATOM 0 HA SER A 11 3.152 -6.758 -1.104 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.338 -9.068 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.588 -7.375 -3.499 1.00 0.00 H new ATOM 0 HG SER A 11 5.585 -8.496 -3.130 1.00 0.00 H new ATOM 186 N ILE A 12 1.126 -6.571 -2.757 1.00 0.00 N ATOM 187 CA ILE A 12 -0.187 -6.199 -3.286 1.00 0.00 C ATOM 188 C ILE A 12 0.021 -5.691 -4.718 1.00 0.00 C ATOM 189 O ILE A 12 1.152 -5.402 -5.106 1.00 0.00 O ATOM 190 CB ILE A 12 -0.815 -5.136 -2.361 1.00 0.00 C ATOM 191 CG1 ILE A 12 -1.051 -5.744 -0.971 1.00 0.00 C ATOM 192 CG2 ILE A 12 -2.133 -4.584 -2.913 1.00 0.00 C ATOM 193 CD1 ILE A 12 -1.716 -4.767 -0.006 1.00 0.00 C ATOM 0 H ILE A 12 1.865 -5.952 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.876 -7.043 -3.316 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.116 -4.302 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.674 -6.633 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.097 -6.068 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.533 -3.840 -2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.955 -4.121 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.850 -5.397 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.858 -5.250 0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.082 -3.889 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.683 -4.463 -0.405 1.00 0.00 H new ATOM 205 N ASN A 13 -1.045 -5.568 -5.517 1.00 0.00 N ATOM 206 CA ASN A 13 -0.941 -5.186 -6.921 1.00 0.00 C ATOM 207 C ASN A 13 -2.017 -4.177 -7.323 1.00 0.00 C ATOM 208 O ASN A 13 -3.093 -4.129 -6.731 1.00 0.00 O ATOM 209 CB ASN A 13 -1.057 -6.442 -7.781 1.00 0.00 C ATOM 210 CG ASN A 13 0.236 -7.237 -7.755 1.00 0.00 C ATOM 211 OD1 ASN A 13 0.375 -8.191 -7.001 1.00 0.00 O ATOM 212 ND2 ASN A 13 1.197 -6.843 -8.587 1.00 0.00 N ATOM 0 H ASN A 13 -2.002 -5.731 -5.204 1.00 0.00 H new ATOM 0 HA ASN A 13 0.024 -4.704 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.877 -7.062 -7.418 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.297 -6.164 -8.807 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.087 -7.341 -8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.044 -6.043 -9.201 1.00 0.00 H new ATOM 219 N ILE A 14 -1.706 -3.373 -8.345 1.00 0.00 N ATOM 220 CA ILE A 14 -2.600 -2.351 -8.884 1.00 0.00 C ATOM 221 C ILE A 14 -2.421 -2.304 -10.402 1.00 0.00 C ATOM 222 O ILE A 14 -1.307 -2.453 -10.909 1.00 0.00 O ATOM 223 CB ILE A 14 -2.276 -0.986 -8.256 1.00 0.00 C ATOM 224 CG1 ILE A 14 -2.381 -1.045 -6.728 1.00 0.00 C ATOM 225 CG2 ILE A 14 -3.235 0.073 -8.810 1.00 0.00 C ATOM 226 CD1 ILE A 14 -2.056 0.296 -6.065 1.00 0.00 C ATOM 0 H ILE A 14 -0.808 -3.418 -8.828 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.636 -2.593 -8.647 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.251 -0.719 -8.513 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.389 -1.350 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.701 -1.808 -6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.005 1.041 -8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.122 0.136 -9.892 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.261 -0.203 -8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.146 0.198 -4.983 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.038 0.591 -6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.753 1.056 -6.420 1.00 0.00 H new ATOM 238 N GLY A 15 -3.522 -2.093 -11.126 1.00 0.00 N ATOM 239 CA GLY A 15 -3.507 -2.073 -12.577 1.00 0.00 C ATOM 240 C GLY A 15 -2.880 -3.353 -13.122 1.00 0.00 C ATOM 241 O GLY A 15 -3.101 -4.439 -12.589 1.00 0.00 O ATOM 0 H GLY A 15 -4.443 -1.932 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.524 -1.969 -12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.946 -1.207 -12.929 1.00 0.00 H new ATOM 245 N ASP A 16 -2.097 -3.211 -14.189 1.00 0.00 N ATOM 246 CA ASP A 16 -1.364 -4.312 -14.794 1.00 0.00 C ATOM 247 C ASP A 16 0.105 -3.928 -14.990 1.00 0.00 C ATOM 248 O ASP A 16 0.848 -4.629 -15.673 1.00 0.00 O ATOM 249 CB ASP A 16 -2.050 -4.751 -16.093 1.00 0.00 C ATOM 250 CG ASP A 16 -2.000 -3.677 -17.179 1.00 0.00 C ATOM 251 OD1 ASP A 16 -2.608 -2.601 -16.962 1.00 0.00 O ATOM 252 OD2 ASP A 16 -1.357 -3.942 -18.221 1.00 0.00 O ATOM 0 H ASP A 16 -1.955 -2.318 -14.660 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.374 -5.173 -14.126 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.572 -5.658 -16.463 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.090 -5.001 -15.883 1.00 0.00 H new ATOM 257 N ASP A 17 0.519 -2.804 -14.387 1.00 0.00 N ATOM 258 CA ASP A 17 1.876 -2.285 -14.486 1.00 0.00 C ATOM 259 C ASP A 17 2.389 -1.783 -13.131 1.00 0.00 C ATOM 260 O ASP A 17 3.465 -1.186 -13.080 1.00 0.00 O ATOM 261 CB ASP A 17 1.935 -1.149 -15.514 1.00 0.00 C ATOM 262 CG ASP A 17 1.625 -1.634 -16.929 1.00 0.00 C ATOM 263 OD1 ASP A 17 2.452 -2.405 -17.467 1.00 0.00 O ATOM 264 OD2 ASP A 17 0.568 -1.231 -17.460 1.00 0.00 O ATOM 0 H ASP A 17 -0.094 -2.227 -13.811 1.00 0.00 H new ATOM 0 HA ASP A 17 2.519 -3.104 -14.809 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.224 -0.371 -15.235 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.926 -0.696 -15.496 1.00 0.00 H new ATOM 269 N ILE A 18 1.657 -2.002 -12.032 1.00 0.00 N ATOM 270 CA ILE A 18 2.099 -1.525 -10.726 1.00 0.00 C ATOM 271 C ILE A 18 2.023 -2.650 -9.699 1.00 0.00 C ATOM 272 O ILE A 18 1.161 -3.526 -9.764 1.00 0.00 O ATOM 273 CB ILE A 18 1.257 -0.319 -10.272 1.00 0.00 C ATOM 274 CG1 ILE A 18 1.294 0.839 -11.279 1.00 0.00 C ATOM 275 CG2 ILE A 18 1.776 0.213 -8.933 1.00 0.00 C ATOM 276 CD1 ILE A 18 0.155 0.745 -12.293 1.00 0.00 C ATOM 0 H ILE A 18 0.767 -2.501 -12.025 1.00 0.00 H new ATOM 0 HA ILE A 18 3.136 -1.201 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 18 0.231 -0.678 -10.186 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.228 1.787 -10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.249 0.834 -11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.173 1.066 -8.622 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.710 -0.572 -8.180 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.815 0.524 -9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.216 1.583 -12.988 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.236 -0.191 -12.845 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.801 0.777 -11.770 1.00 0.00 H new ATOM 288 N THR A 19 2.948 -2.613 -8.733 1.00 0.00 N ATOM 289 CA THR A 19 3.018 -3.554 -7.630 1.00 0.00 C ATOM 290 C THR A 19 3.378 -2.774 -6.370 1.00 0.00 C ATOM 291 O THR A 19 3.996 -1.713 -6.450 1.00 0.00 O ATOM 292 CB THR A 19 4.065 -4.635 -7.934 1.00 0.00 C ATOM 293 OG1 THR A 19 3.747 -5.289 -9.140 1.00 0.00 O ATOM 294 CG2 THR A 19 4.135 -5.686 -6.826 1.00 0.00 C ATOM 0 H THR A 19 3.683 -1.907 -8.704 1.00 0.00 H new ATOM 0 HA THR A 19 2.061 -4.055 -7.485 1.00 0.00 H new ATOM 0 HB THR A 19 5.030 -4.134 -8.008 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.421 -5.976 -9.327 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.888 -6.433 -7.080 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.403 -5.205 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.164 -6.170 -6.722 1.00 0.00 H new ATOM 302 N ILE A 20 2.992 -3.304 -5.208 1.00 0.00 N ATOM 303 CA ILE A 20 3.179 -2.661 -3.915 1.00 0.00 C ATOM 304 C ILE A 20 3.724 -3.703 -2.942 1.00 0.00 C ATOM 305 O ILE A 20 3.414 -4.887 -3.064 1.00 0.00 O ATOM 306 CB ILE A 20 1.828 -2.117 -3.420 1.00 0.00 C ATOM 307 CG1 ILE A 20 1.167 -1.158 -4.423 1.00 0.00 C ATOM 308 CG2 ILE A 20 1.987 -1.425 -2.066 1.00 0.00 C ATOM 309 CD1 ILE A 20 1.934 0.152 -4.597 1.00 0.00 C ATOM 0 H ILE A 20 2.531 -4.212 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 20 3.880 -1.830 -3.992 1.00 0.00 H new ATOM 0 HB ILE A 20 1.169 -2.979 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.084 -1.654 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.153 -0.937 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.020 -1.048 -1.734 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.368 -2.138 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.687 -0.595 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.415 0.784 -5.318 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.995 0.668 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.940 -0.061 -4.959 1.00 0.00 H new ATOM 321 N THR A 21 4.529 -3.264 -1.972 1.00 0.00 N ATOM 322 CA THR A 21 5.142 -4.166 -1.009 1.00 0.00 C ATOM 323 C THR A 21 5.132 -3.524 0.375 1.00 0.00 C ATOM 324 O THR A 21 5.205 -2.303 0.495 1.00 0.00 O ATOM 325 CB THR A 21 6.579 -4.471 -1.455 1.00 0.00 C ATOM 326 OG1 THR A 21 6.594 -4.871 -2.809 1.00 0.00 O ATOM 327 CG2 THR A 21 7.193 -5.603 -0.633 1.00 0.00 C ATOM 0 H THR A 21 4.769 -2.282 -1.837 1.00 0.00 H new ATOM 0 HA THR A 21 4.579 -5.098 -0.959 1.00 0.00 H new ATOM 0 HB THR A 21 7.158 -3.559 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.515 -5.062 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.210 -5.792 -0.976 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.212 -5.320 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.596 -6.507 -0.755 1.00 0.00 H new ATOM 335 N ILE A 22 5.043 -4.353 1.419 1.00 0.00 N ATOM 336 CA ILE A 22 5.055 -3.900 2.801 1.00 0.00 C ATOM 337 C ILE A 22 6.362 -4.363 3.435 1.00 0.00 C ATOM 338 O ILE A 22 6.458 -5.445 4.010 1.00 0.00 O ATOM 339 CB ILE A 22 3.784 -4.353 3.537 1.00 0.00 C ATOM 340 CG1 ILE A 22 3.852 -4.089 5.043 1.00 0.00 C ATOM 341 CG2 ILE A 22 3.473 -5.834 3.318 1.00 0.00 C ATOM 342 CD1 ILE A 22 4.147 -2.624 5.351 1.00 0.00 C ATOM 0 H ILE A 22 4.960 -5.365 1.321 1.00 0.00 H new ATOM 0 HA ILE A 22 5.029 -2.812 2.867 1.00 0.00 H new ATOM 0 HB ILE A 22 2.984 -3.753 3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.906 -4.374 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.625 -4.716 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.566 -6.099 3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.328 -6.022 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.304 -6.438 3.683 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.187 -2.480 6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.105 -2.346 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.360 -1.998 4.930 1.00 0.00 H new ATOM 354 N LEU A 23 7.389 -3.516 3.319 1.00 0.00 N ATOM 355 CA LEU A 23 8.743 -3.840 3.744 1.00 0.00 C ATOM 356 C LEU A 23 8.818 -4.033 5.254 1.00 0.00 C ATOM 357 O LEU A 23 9.618 -4.838 5.728 1.00 0.00 O ATOM 358 CB LEU A 23 9.692 -2.719 3.307 1.00 0.00 C ATOM 359 CG LEU A 23 9.538 -2.352 1.828 1.00 0.00 C ATOM 360 CD1 LEU A 23 10.523 -1.243 1.475 1.00 0.00 C ATOM 361 CD2 LEU A 23 9.819 -3.546 0.919 1.00 0.00 C ATOM 0 H LEU A 23 7.297 -2.580 2.924 1.00 0.00 H new ATOM 0 HA LEU A 23 9.040 -4.778 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.507 -1.835 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.721 -3.027 3.495 1.00 0.00 H new ATOM 0 HG LEU A 23 8.509 -2.027 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.414 -0.981 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.320 -0.366 2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.540 -1.588 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.700 -3.247 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.839 -3.895 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.119 -4.350 1.148 1.00 0.00 H new ATOM 373 N GLY A 24 7.992 -3.308 6.017 1.00 0.00 N ATOM 374 CA GLY A 24 7.938 -3.512 7.458 1.00 0.00 C ATOM 375 C GLY A 24 7.331 -2.323 8.197 1.00 0.00 C ATOM 376 O GLY A 24 6.796 -1.406 7.576 1.00 0.00 O ATOM 0 H GLY A 24 7.363 -2.587 5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.352 -4.406 7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.945 -3.693 7.834 1.00 0.00 H new ATOM 380 N VAL A 25 7.424 -2.343 9.526 1.00 0.00 N ATOM 381 CA VAL A 25 6.945 -1.257 10.374 1.00 0.00 C ATOM 382 C VAL A 25 8.007 -0.907 11.413 1.00 0.00 C ATOM 383 O VAL A 25 8.949 -1.668 11.635 1.00 0.00 O ATOM 384 CB VAL A 25 5.609 -1.618 11.047 1.00 0.00 C ATOM 385 CG1 VAL A 25 4.609 -2.159 10.019 1.00 0.00 C ATOM 386 CG2 VAL A 25 5.790 -2.653 12.155 1.00 0.00 C ATOM 0 H VAL A 25 7.836 -3.118 10.045 1.00 0.00 H new ATOM 0 HA VAL A 25 6.763 -0.383 9.748 1.00 0.00 H new ATOM 0 HB VAL A 25 5.223 -0.699 11.488 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.672 -2.407 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.425 -1.401 9.257 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.018 -3.054 9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.823 -2.879 12.603 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.217 -3.564 11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.459 -2.256 12.918 1.00 0.00 H new ATOM 396 N SER A 26 7.850 0.258 12.047 1.00 0.00 N ATOM 397 CA SER A 26 8.764 0.741 13.072 1.00 0.00 C ATOM 398 C SER A 26 7.974 1.655 13.996 1.00 0.00 C ATOM 399 O SER A 26 7.931 2.870 13.800 1.00 0.00 O ATOM 400 CB SER A 26 9.933 1.481 12.422 1.00 0.00 C ATOM 401 OG SER A 26 10.831 1.922 13.419 1.00 0.00 O ATOM 0 H SER A 26 7.076 0.895 11.858 1.00 0.00 H new ATOM 0 HA SER A 26 9.184 -0.086 13.645 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.447 0.824 11.721 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.564 2.332 11.849 1.00 0.00 H new ATOM 0 HG SER A 26 11.580 2.395 12.999 1.00 0.00 H new ATOM 407 N GLY A 27 7.336 1.070 15.010 1.00 0.00 N ATOM 408 CA GLY A 27 6.393 1.807 15.825 1.00 0.00 C ATOM 409 C GLY A 27 5.125 1.987 15.007 1.00 0.00 C ATOM 410 O GLY A 27 4.477 1.006 14.651 1.00 0.00 O ATOM 0 H GLY A 27 7.459 0.094 15.279 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.180 1.268 16.748 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.806 2.775 16.109 1.00 0.00 H new ATOM 414 N GLN A 28 4.776 3.240 14.706 1.00 0.00 N ATOM 415 CA GLN A 28 3.602 3.551 13.900 1.00 0.00 C ATOM 416 C GLN A 28 4.025 3.880 12.476 1.00 0.00 C ATOM 417 O GLN A 28 3.176 4.173 11.636 1.00 0.00 O ATOM 418 CB GLN A 28 2.822 4.703 14.541 1.00 0.00 C ATOM 419 CG GLN A 28 1.784 4.164 15.531 1.00 0.00 C ATOM 420 CD GLN A 28 2.336 3.019 16.380 1.00 0.00 C ATOM 421 OE1 GLN A 28 3.036 3.240 17.366 1.00 0.00 O ATOM 422 NE2 GLN A 28 2.026 1.782 15.997 1.00 0.00 N ATOM 0 H GLN A 28 5.298 4.060 15.014 1.00 0.00 H new ATOM 0 HA GLN A 28 2.943 2.684 13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.510 5.374 15.056 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.325 5.288 13.767 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.454 4.972 16.184 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.907 3.818 14.983 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.443 1.634 15.173 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.372 0.982 16.527 1.00 0.00 H new ATOM 431 N GLN A 29 5.331 3.833 12.197 1.00 0.00 N ATOM 432 CA GLN A 29 5.820 3.978 10.840 1.00 0.00 C ATOM 433 C GLN A 29 5.584 2.704 10.053 1.00 0.00 C ATOM 434 O GLN A 29 5.394 1.629 10.623 1.00 0.00 O ATOM 435 CB GLN A 29 7.315 4.279 10.807 1.00 0.00 C ATOM 436 CG GLN A 29 7.599 5.773 10.857 1.00 0.00 C ATOM 437 CD GLN A 29 8.996 6.025 10.312 1.00 0.00 C ATOM 438 OE1 GLN A 29 9.153 6.561 9.220 1.00 0.00 O ATOM 439 NE2 GLN A 29 10.020 5.642 11.065 1.00 0.00 N ATOM 0 H GLN A 29 6.060 3.696 12.897 1.00 0.00 H new ATOM 0 HA GLN A 29 5.274 4.811 10.397 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.802 3.789 11.651 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.749 3.858 9.900 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.860 6.317 10.268 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.522 6.138 11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 29 9.851 5.199 11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.975 5.791 10.740 1.00 0.00 H new ATOM 448 N VAL A 30 5.604 2.843 8.729 1.00 0.00 N ATOM 449 CA VAL A 30 5.478 1.735 7.813 1.00 0.00 C ATOM 450 C VAL A 30 6.403 2.003 6.637 1.00 0.00 C ATOM 451 O VAL A 30 6.251 3.018 5.952 1.00 0.00 O ATOM 452 CB VAL A 30 4.027 1.628 7.334 1.00 0.00 C ATOM 453 CG1 VAL A 30 3.878 0.379 6.476 1.00 0.00 C ATOM 454 CG2 VAL A 30 3.046 1.521 8.503 1.00 0.00 C ATOM 0 H VAL A 30 5.710 3.746 8.266 1.00 0.00 H new ATOM 0 HA VAL A 30 5.748 0.797 8.298 1.00 0.00 H new ATOM 0 HB VAL A 30 3.798 2.531 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.847 0.295 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.544 0.447 5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.135 -0.501 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.029 1.447 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.277 0.633 9.092 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.133 2.406 9.133 1.00 0.00 H new ATOM 464 N ARG A 31 7.362 1.103 6.396 1.00 0.00 N ATOM 465 CA ARG A 31 8.149 1.150 5.177 1.00 0.00 C ATOM 466 C ARG A 31 7.346 0.442 4.106 1.00 0.00 C ATOM 467 O ARG A 31 7.007 -0.733 4.252 1.00 0.00 O ATOM 468 CB ARG A 31 9.493 0.434 5.319 1.00 0.00 C ATOM 469 CG ARG A 31 10.583 1.336 5.889 1.00 0.00 C ATOM 470 CD ARG A 31 11.954 0.824 5.438 1.00 0.00 C ATOM 471 NE ARG A 31 12.227 -0.540 5.895 1.00 0.00 N ATOM 472 CZ ARG A 31 13.292 -1.248 5.498 1.00 0.00 C ATOM 473 NH1 ARG A 31 14.181 -0.726 4.656 1.00 0.00 N ATOM 474 NH2 ARG A 31 13.474 -2.486 5.942 1.00 0.00 N ATOM 0 H ARG A 31 7.605 0.341 7.029 1.00 0.00 H new ATOM 0 HA ARG A 31 8.357 2.192 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.371 -0.435 5.966 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.807 0.063 4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.436 2.361 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.527 1.349 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.009 0.856 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.729 1.491 5.816 1.00 0.00 H new ATOM 0 HE ARG A 31 11.574 -0.972 6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.055 0.224 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.988 -1.276 4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.802 -2.900 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.286 -3.023 5.638 1.00 0.00 H new ATOM 488 N ILE A 32 7.049 1.175 3.035 1.00 0.00 N ATOM 489 CA ILE A 32 6.260 0.673 1.926 1.00 0.00 C ATOM 490 C ILE A 32 7.083 0.823 0.657 1.00 0.00 C ATOM 491 O ILE A 32 7.803 1.805 0.497 1.00 0.00 O ATOM 492 CB ILE A 32 4.962 1.481 1.827 1.00 0.00 C ATOM 493 CG1 ILE A 32 4.342 1.651 3.222 1.00 0.00 C ATOM 494 CG2 ILE A 32 3.997 0.774 0.870 1.00 0.00 C ATOM 495 CD1 ILE A 32 2.998 2.368 3.182 1.00 0.00 C ATOM 0 H ILE A 32 7.354 2.141 2.917 1.00 0.00 H new ATOM 0 HA ILE A 32 6.003 -0.376 2.072 1.00 0.00 H new ATOM 0 HB ILE A 32 5.173 2.475 1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.213 0.670 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.030 2.211 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.072 1.346 0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.454 0.697 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.777 -0.225 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.605 2.461 4.194 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.128 3.360 2.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.298 1.796 2.572 1.00 0.00 H new ATOM 507 N GLY A 33 6.975 -0.154 -0.241 1.00 0.00 N ATOM 508 CA GLY A 33 7.702 -0.147 -1.495 1.00 0.00 C ATOM 509 C GLY A 33 6.713 -0.116 -2.647 1.00 0.00 C ATOM 510 O GLY A 33 5.593 -0.614 -2.515 1.00 0.00 O ATOM 0 H GLY A 33 6.378 -0.971 -0.113 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.360 0.720 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.335 -1.032 -1.567 1.00 0.00 H new ATOM 514 N ILE A 34 7.127 0.466 -3.770 1.00 0.00 N ATOM 515 CA ILE A 34 6.287 0.548 -4.952 1.00 0.00 C ATOM 516 C ILE A 34 7.143 0.197 -6.157 1.00 0.00 C ATOM 517 O ILE A 34 8.329 0.523 -6.203 1.00 0.00 O ATOM 518 CB ILE A 34 5.696 1.960 -5.068 1.00 0.00 C ATOM 519 CG1 ILE A 34 4.903 2.294 -3.790 1.00 0.00 C ATOM 520 CG2 ILE A 34 4.799 2.041 -6.307 1.00 0.00 C ATOM 521 CD1 ILE A 34 4.369 3.727 -3.793 1.00 0.00 C ATOM 0 H ILE A 34 8.048 0.890 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 34 5.452 -0.150 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 34 6.499 2.690 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.069 1.599 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.544 2.150 -2.920 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.380 3.044 -6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.388 1.821 -7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.990 1.316 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.818 3.912 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.203 4.426 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.705 3.866 -4.646 1.00 0.00 H new ATOM 533 N ASN A 35 6.537 -0.467 -7.141 1.00 0.00 N ATOM 534 CA ASN A 35 7.243 -0.893 -8.332 1.00 0.00 C ATOM 535 C ASN A 35 6.376 -0.603 -9.544 1.00 0.00 C ATOM 536 O ASN A 35 5.411 -1.315 -9.818 1.00 0.00 O ATOM 537 CB ASN A 35 7.600 -2.376 -8.204 1.00 0.00 C ATOM 538 CG ASN A 35 8.561 -2.837 -9.294 1.00 0.00 C ATOM 539 OD1 ASN A 35 8.905 -2.084 -10.202 1.00 0.00 O ATOM 540 ND2 ASN A 35 9.005 -4.086 -9.207 1.00 0.00 N ATOM 0 H ASN A 35 5.549 -0.720 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 35 8.177 -0.345 -8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.049 -2.556 -7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.689 -2.972 -8.251 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.652 -4.447 -9.908 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.699 -4.684 -8.439 1.00 0.00 H new ATOM 547 N ALA A 36 6.737 0.459 -10.262 1.00 0.00 N ATOM 548 CA ALA A 36 6.011 0.923 -11.430 1.00 0.00 C ATOM 549 C ALA A 36 7.006 1.460 -12.459 1.00 0.00 C ATOM 550 O ALA A 36 8.107 1.867 -12.088 1.00 0.00 O ATOM 551 CB ALA A 36 5.045 2.024 -10.980 1.00 0.00 C ATOM 0 H ALA A 36 7.555 1.026 -10.041 1.00 0.00 H new ATOM 0 HA ALA A 36 5.448 0.111 -11.890 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.486 2.391 -11.840 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.352 1.621 -10.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.609 2.845 -10.537 1.00 0.00 H new ATOM 557 N PRO A 37 6.643 1.471 -13.746 1.00 0.00 N ATOM 558 CA PRO A 37 7.476 2.026 -14.798 1.00 0.00 C ATOM 559 C PRO A 37 7.521 3.547 -14.692 1.00 0.00 C ATOM 560 O PRO A 37 6.579 4.165 -14.202 1.00 0.00 O ATOM 561 CB PRO A 37 6.801 1.592 -16.102 1.00 0.00 C ATOM 562 CG PRO A 37 5.328 1.436 -15.717 1.00 0.00 C ATOM 563 CD PRO A 37 5.402 0.942 -14.277 1.00 0.00 C ATOM 0 HA PRO A 37 8.507 1.679 -14.738 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.932 2.336 -16.887 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.218 0.657 -16.476 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.789 2.380 -15.793 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.815 0.723 -16.363 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.547 1.292 -13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.391 -0.147 -14.235 1.00 0.00 H new ATOM 571 N LYS A 38 8.614 4.159 -15.156 1.00 0.00 N ATOM 572 CA LYS A 38 8.727 5.615 -15.194 1.00 0.00 C ATOM 573 C LYS A 38 7.712 6.209 -16.169 1.00 0.00 C ATOM 574 O LYS A 38 7.611 7.429 -16.288 1.00 0.00 O ATOM 575 CB LYS A 38 10.161 6.021 -15.559 1.00 0.00 C ATOM 576 CG LYS A 38 11.157 5.681 -14.440 1.00 0.00 C ATOM 577 CD LYS A 38 10.935 6.458 -13.132 1.00 0.00 C ATOM 578 CE LYS A 38 11.367 7.923 -13.222 1.00 0.00 C ATOM 579 NZ LYS A 38 10.385 8.755 -13.944 1.00 0.00 N ATOM 0 H LYS A 38 9.433 3.666 -15.511 1.00 0.00 H new ATOM 0 HA LYS A 38 8.503 6.014 -14.205 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.459 5.514 -16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.194 7.092 -15.761 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.096 4.613 -14.229 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.168 5.878 -14.798 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.879 6.413 -12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.488 5.971 -12.329 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.507 8.320 -12.217 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.332 7.984 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.739 8.959 -14.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.481 8.246 -14.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.242 9.648 -13.430 1.00 0.00 H new ATOM 593 N ASP A 39 6.964 5.348 -16.862 1.00 0.00 N ATOM 594 CA ASP A 39 5.852 5.735 -17.718 1.00 0.00 C ATOM 595 C ASP A 39 4.701 6.311 -16.888 1.00 0.00 C ATOM 596 O ASP A 39 3.768 6.883 -17.446 1.00 0.00 O ATOM 597 CB ASP A 39 5.388 4.496 -18.483 1.00 0.00 C ATOM 598 CG ASP A 39 4.422 4.856 -19.608 1.00 0.00 C ATOM 599 OD1 ASP A 39 4.834 5.634 -20.502 1.00 0.00 O ATOM 600 OD2 ASP A 39 3.278 4.355 -19.568 1.00 0.00 O ATOM 0 H ASP A 39 7.122 4.341 -16.840 1.00 0.00 H new ATOM 0 HA ASP A 39 6.174 6.510 -18.414 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.253 3.979 -18.898 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.903 3.804 -17.795 1.00 0.00 H new ATOM 605 N VAL A 40 4.772 6.164 -15.559 1.00 0.00 N ATOM 606 CA VAL A 40 3.767 6.662 -14.633 1.00 0.00 C ATOM 607 C VAL A 40 4.452 7.279 -13.418 1.00 0.00 C ATOM 608 O VAL A 40 5.620 6.999 -13.151 1.00 0.00 O ATOM 609 CB VAL A 40 2.793 5.553 -14.211 1.00 0.00 C ATOM 610 CG1 VAL A 40 2.162 4.882 -15.427 1.00 0.00 C ATOM 611 CG2 VAL A 40 3.469 4.467 -13.376 1.00 0.00 C ATOM 0 H VAL A 40 5.546 5.686 -15.097 1.00 0.00 H new ATOM 0 HA VAL A 40 3.180 7.429 -15.138 1.00 0.00 H new ATOM 0 HB VAL A 40 2.031 6.045 -13.607 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.477 4.101 -15.097 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.614 5.624 -16.008 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.944 4.441 -16.046 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.736 3.708 -13.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.269 4.007 -13.956 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.885 4.910 -12.471 1.00 0.00 H new ATOM 621 N ALA A 41 3.723 8.119 -12.679 1.00 0.00 N ATOM 622 CA ALA A 41 4.282 8.831 -11.541 1.00 0.00 C ATOM 623 C ALA A 41 3.868 8.188 -10.222 1.00 0.00 C ATOM 624 O ALA A 41 2.859 7.488 -10.148 1.00 0.00 O ATOM 625 CB ALA A 41 3.803 10.280 -11.593 1.00 0.00 C ATOM 0 H ALA A 41 2.738 8.319 -12.855 1.00 0.00 H new ATOM 0 HA ALA A 41 5.370 8.789 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.213 10.829 -10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.139 10.741 -12.522 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.714 10.305 -11.549 1.00 0.00 H new ATOM 631 N VAL A 42 4.659 8.433 -9.172 1.00 0.00 N ATOM 632 CA VAL A 42 4.333 7.989 -7.823 1.00 0.00 C ATOM 633 C VAL A 42 4.993 8.926 -6.819 1.00 0.00 C ATOM 634 O VAL A 42 6.173 9.236 -6.960 1.00 0.00 O ATOM 635 CB VAL A 42 4.787 6.530 -7.639 1.00 0.00 C ATOM 636 CG1 VAL A 42 6.218 6.292 -8.113 1.00 0.00 C ATOM 637 CG2 VAL A 42 4.716 6.084 -6.183 1.00 0.00 C ATOM 0 H VAL A 42 5.540 8.944 -9.238 1.00 0.00 H new ATOM 0 HA VAL A 42 3.256 8.021 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 42 4.095 5.950 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.483 5.246 -7.959 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.295 6.533 -9.173 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.899 6.926 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.046 5.048 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.362 6.718 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.689 6.166 -5.827 1.00 0.00 H new ATOM 647 N HIS A 43 4.242 9.380 -5.811 1.00 0.00 N ATOM 648 CA HIS A 43 4.748 10.336 -4.831 1.00 0.00 C ATOM 649 C HIS A 43 3.964 10.272 -3.528 1.00 0.00 C ATOM 650 O HIS A 43 2.859 9.733 -3.487 1.00 0.00 O ATOM 651 CB HIS A 43 4.597 11.765 -5.360 1.00 0.00 C ATOM 652 CG HIS A 43 5.213 11.996 -6.711 1.00 0.00 C ATOM 653 ND1 HIS A 43 6.560 12.267 -6.953 1.00 0.00 N ATOM 654 CD2 HIS A 43 4.532 11.975 -7.893 1.00 0.00 C ATOM 655 CE1 HIS A 43 6.663 12.394 -8.285 1.00 0.00 C ATOM 656 NE2 HIS A 43 5.466 12.223 -8.874 1.00 0.00 N ATOM 0 H HIS A 43 3.275 9.096 -5.655 1.00 0.00 H new ATOM 0 HA HIS A 43 5.793 10.079 -4.656 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.536 12.010 -5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.049 12.453 -4.646 1.00 0.00 H new ATOM 0 HD1 HIS A 43 7.308 12.351 -6.264 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.475 11.800 -8.031 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.582 12.605 -8.812 1.00 0.00 H new ATOM 664 N ARG A 44 4.541 10.834 -2.462 1.00 0.00 N ATOM 665 CA ARG A 44 3.828 11.041 -1.209 1.00 0.00 C ATOM 666 C ARG A 44 2.695 12.030 -1.444 1.00 0.00 C ATOM 667 O ARG A 44 2.696 12.761 -2.431 1.00 0.00 O ATOM 668 CB ARG A 44 4.790 11.597 -0.161 1.00 0.00 C ATOM 669 CG ARG A 44 5.759 10.513 0.298 1.00 0.00 C ATOM 670 CD ARG A 44 6.863 11.129 1.152 1.00 0.00 C ATOM 671 NE ARG A 44 7.821 11.855 0.311 1.00 0.00 N ATOM 672 CZ ARG A 44 8.369 13.038 0.603 1.00 0.00 C ATOM 673 NH1 ARG A 44 8.028 13.718 1.698 1.00 0.00 N ATOM 674 NH2 ARG A 44 9.279 13.551 -0.218 1.00 0.00 N ATOM 0 H ARG A 44 5.509 11.155 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 44 3.421 10.095 -0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.345 12.438 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.228 11.977 0.692 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.225 9.755 0.871 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.194 10.012 -0.567 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.427 11.808 1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.379 10.347 1.709 1.00 0.00 H new ATOM 0 HE ARG A 44 8.092 11.420 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.332 13.337 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.463 14.619 1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.551 13.043 -1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.705 14.453 -0.007 1.00 0.00 H new ATOM 688 N GLU A 45 1.717 12.063 -0.536 1.00 0.00 N ATOM 689 CA GLU A 45 0.589 12.976 -0.660 1.00 0.00 C ATOM 690 C GLU A 45 1.070 14.423 -0.513 1.00 0.00 C ATOM 691 O GLU A 45 0.490 15.334 -1.094 1.00 0.00 O ATOM 692 CB GLU A 45 -0.439 12.592 0.408 1.00 0.00 C ATOM 693 CG GLU A 45 -1.848 13.085 0.095 1.00 0.00 C ATOM 694 CD GLU A 45 -2.009 14.593 0.216 1.00 0.00 C ATOM 695 OE1 GLU A 45 -1.581 15.152 1.251 1.00 0.00 O ATOM 696 OE2 GLU A 45 -2.568 15.177 -0.740 1.00 0.00 O ATOM 0 H GLU A 45 1.687 11.467 0.291 1.00 0.00 H new ATOM 0 HA GLU A 45 0.123 12.901 -1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.456 11.507 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.124 13.000 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.114 12.780 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.552 12.598 0.770 1.00 0.00 H new ATOM 703 N GLU A 46 2.138 14.630 0.268 1.00 0.00 N ATOM 704 CA GLU A 46 2.724 15.951 0.491 1.00 0.00 C ATOM 705 C GLU A 46 3.604 16.413 -0.675 1.00 0.00 C ATOM 706 O GLU A 46 4.025 17.569 -0.707 1.00 0.00 O ATOM 707 CB GLU A 46 3.538 15.938 1.793 1.00 0.00 C ATOM 708 CG GLU A 46 4.798 15.079 1.667 1.00 0.00 C ATOM 709 CD GLU A 46 5.576 15.004 2.980 1.00 0.00 C ATOM 710 OE1 GLU A 46 5.944 16.077 3.509 1.00 0.00 O ATOM 711 OE2 GLU A 46 5.803 13.867 3.453 1.00 0.00 O ATOM 0 H GLU A 46 2.620 13.880 0.764 1.00 0.00 H new ATOM 0 HA GLU A 46 1.903 16.663 0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.818 16.958 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.919 15.558 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.520 14.073 1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.440 15.490 0.888 1.00 0.00 H new ATOM 718 N ILE A 47 3.883 15.526 -1.635 1.00 0.00 N ATOM 719 CA ILE A 47 4.700 15.831 -2.808 1.00 0.00 C ATOM 720 C ILE A 47 3.841 15.808 -4.064 1.00 0.00 C ATOM 721 O ILE A 47 4.100 16.566 -4.996 1.00 0.00 O ATOM 722 CB ILE A 47 5.835 14.810 -2.911 1.00 0.00 C ATOM 723 CG1 ILE A 47 6.858 14.988 -1.785 1.00 0.00 C ATOM 724 CG2 ILE A 47 6.559 14.916 -4.255 1.00 0.00 C ATOM 725 CD1 ILE A 47 7.415 16.412 -1.688 1.00 0.00 C ATOM 0 H ILE A 47 3.542 14.565 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 47 5.127 16.829 -2.707 1.00 0.00 H new ATOM 0 HB ILE A 47 5.374 13.826 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.392 14.723 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.683 14.293 -1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.360 14.177 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.853 14.731 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.981 15.915 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.133 16.467 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.910 16.674 -2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.599 17.110 -1.501 1.00 0.00 H new ATOM 737 N TYR A 48 2.820 14.954 -4.102 1.00 0.00 N ATOM 738 CA TYR A 48 1.958 14.836 -5.260 1.00 0.00 C ATOM 739 C TYR A 48 1.321 16.178 -5.613 1.00 0.00 C ATOM 740 O TYR A 48 1.157 16.497 -6.791 1.00 0.00 O ATOM 741 CB TYR A 48 0.880 13.804 -4.956 1.00 0.00 C ATOM 742 CG TYR A 48 -0.233 13.828 -5.973 1.00 0.00 C ATOM 743 CD1 TYR A 48 0.049 13.653 -7.336 1.00 0.00 C ATOM 744 CD2 TYR A 48 -1.548 14.039 -5.545 1.00 0.00 C ATOM 745 CE1 TYR A 48 -0.986 13.712 -8.279 1.00 0.00 C ATOM 746 CE2 TYR A 48 -2.588 14.092 -6.480 1.00 0.00 C ATOM 747 CZ TYR A 48 -2.313 13.928 -7.853 1.00 0.00 C ATOM 748 OH TYR A 48 -3.323 13.978 -8.766 1.00 0.00 O ATOM 0 H TYR A 48 2.574 14.331 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 48 2.550 14.520 -6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.327 12.810 -4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.468 13.992 -3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.064 13.473 -7.659 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.761 14.161 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.768 13.592 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.603 14.259 -6.149 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.174 14.133 -8.305 1.00 0.00 H new ATOM 758 N GLN A 49 0.963 16.968 -4.596 1.00 0.00 N ATOM 759 CA GLN A 49 0.340 18.262 -4.814 1.00 0.00 C ATOM 760 C GLN A 49 1.299 19.219 -5.524 1.00 0.00 C ATOM 761 O GLN A 49 0.860 20.196 -6.127 1.00 0.00 O ATOM 762 CB GLN A 49 -0.060 18.870 -3.471 1.00 0.00 C ATOM 763 CG GLN A 49 -1.096 18.011 -2.748 1.00 0.00 C ATOM 764 CD GLN A 49 -1.434 18.597 -1.381 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.336 19.804 -1.160 1.00 0.00 O ATOM 766 NE2 GLN A 49 -1.837 17.751 -0.443 1.00 0.00 N ATOM 0 H GLN A 49 1.098 16.727 -3.614 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.540 18.115 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.824 18.979 -2.843 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.463 19.870 -3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.001 17.941 -3.352 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.714 16.997 -2.629 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.910 16.755 -0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.074 18.096 0.487 1.00 0.00 H new ATOM 775 N ARG A 50 2.605 18.943 -5.453 1.00 0.00 N ATOM 776 CA ARG A 50 3.620 19.812 -6.023 1.00 0.00 C ATOM 777 C ARG A 50 3.876 19.479 -7.487 1.00 0.00 C ATOM 778 O ARG A 50 4.101 20.386 -8.285 1.00 0.00 O ATOM 779 CB ARG A 50 4.893 19.676 -5.189 1.00 0.00 C ATOM 780 CG ARG A 50 5.986 20.594 -5.732 1.00 0.00 C ATOM 781 CD ARG A 50 7.196 20.521 -4.806 1.00 0.00 C ATOM 782 NE ARG A 50 6.921 21.182 -3.524 1.00 0.00 N ATOM 783 CZ ARG A 50 7.381 20.773 -2.336 1.00 0.00 C ATOM 784 NH1 ARG A 50 8.143 19.687 -2.231 1.00 0.00 N ATOM 785 NH2 ARG A 50 7.076 21.454 -1.236 1.00 0.00 N ATOM 0 H ARG A 50 2.980 18.111 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 50 3.275 20.846 -5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.683 19.926 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.237 18.642 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.265 20.292 -6.742 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.621 21.619 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.462 19.478 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.054 20.993 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 50 6.335 22.016 -3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.385 19.152 -3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.485 19.390 -1.317 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.492 22.288 -1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.426 21.143 -0.330 1.00 0.00 H new ATOM 799 N ILE A 51 3.845 18.196 -7.864 1.00 0.00 N ATOM 800 CA ILE A 51 4.015 17.813 -9.261 1.00 0.00 C ATOM 801 C ILE A 51 2.838 18.360 -10.072 1.00 0.00 C ATOM 802 O ILE A 51 2.906 18.445 -11.296 1.00 0.00 O ATOM 803 CB ILE A 51 4.202 16.294 -9.400 1.00 0.00 C ATOM 804 CG1 ILE A 51 5.595 15.879 -8.902 1.00 0.00 C ATOM 805 CG2 ILE A 51 4.135 15.860 -10.869 1.00 0.00 C ATOM 806 CD1 ILE A 51 5.708 15.878 -7.382 1.00 0.00 C ATOM 0 H ILE A 51 3.705 17.414 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 51 4.927 18.253 -9.664 1.00 0.00 H new ATOM 0 HB ILE A 51 3.408 15.827 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.828 14.883 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.340 16.558 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.271 14.781 -10.936 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.164 16.130 -11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.923 16.360 -11.432 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.715 15.577 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.505 16.879 -7.001 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.985 15.178 -6.964 1.00 0.00 H new ATOM 1635 N MET C 1 11.940 -0.064 -7.709 1.00 0.00 N ATOM 1636 CA MET C 1 11.457 0.060 -6.321 1.00 0.00 C ATOM 1637 C MET C 1 11.616 1.486 -5.831 1.00 0.00 C ATOM 1638 O MET C 1 12.703 2.040 -5.917 1.00 0.00 O ATOM 1639 CB MET C 1 12.238 -0.862 -5.382 1.00 0.00 C ATOM 1640 CG MET C 1 11.822 -0.641 -3.927 1.00 0.00 C ATOM 1641 SD MET C 1 10.159 -1.217 -3.524 1.00 0.00 S ATOM 1642 CE MET C 1 10.571 -2.961 -3.272 1.00 0.00 C ATOM 0 H1 MET C 1 11.824 -1.046 -8.030 1.00 0.00 H new ATOM 0 H2 MET C 1 11.391 0.569 -8.325 1.00 0.00 H new ATOM 0 H3 MET C 1 12.946 0.198 -7.751 1.00 0.00 H new ATOM 0 HA MET C 1 10.405 -0.223 -6.316 1.00 0.00 H new ATOM 0 HB2 MET C 1 12.064 -1.902 -5.660 1.00 0.00 H new ATOM 0 HB3 MET C 1 13.307 -0.677 -5.491 1.00 0.00 H new ATOM 0 HG2 MET C 1 12.535 -1.149 -3.278 1.00 0.00 H new ATOM 0 HG3 MET C 1 11.888 0.423 -3.702 1.00 0.00 H new ATOM 0 HE1 MET C 1 9.669 -3.514 -3.009 1.00 0.00 H new ATOM 0 HE2 MET C 1 10.993 -3.371 -4.189 1.00 0.00 H new ATOM 0 HE3 MET C 1 11.299 -3.050 -2.466 1.00 0.00 H new ATOM 1654 N LEU C 2 10.538 2.074 -5.313 1.00 0.00 N ATOM 1655 CA LEU C 2 10.579 3.392 -4.702 1.00 0.00 C ATOM 1656 C LEU C 2 9.965 3.252 -3.311 1.00 0.00 C ATOM 1657 O LEU C 2 8.749 3.081 -3.178 1.00 0.00 O ATOM 1658 CB LEU C 2 9.835 4.374 -5.609 1.00 0.00 C ATOM 1659 CG LEU C 2 9.973 5.859 -5.225 1.00 0.00 C ATOM 1660 CD1 LEU C 2 8.722 6.317 -4.501 1.00 0.00 C ATOM 1661 CD2 LEU C 2 11.166 6.180 -4.323 1.00 0.00 C ATOM 0 H LEU C 2 9.613 1.645 -5.308 1.00 0.00 H new ATOM 0 HA LEU C 2 11.589 3.785 -4.589 1.00 0.00 H new ATOM 0 HB2 LEU C 2 10.195 4.245 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU C 2 8.777 4.113 -5.609 1.00 0.00 H new ATOM 0 HG LEU C 2 10.129 6.381 -6.169 1.00 0.00 H new ATOM 0 HD11 LEU C 2 8.822 7.368 -4.230 1.00 0.00 H new ATOM 0 HD12 LEU C 2 7.858 6.191 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU C 2 8.585 5.721 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU C 2 11.181 7.248 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU C 2 11.078 5.622 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU C 2 12.090 5.899 -4.828 1.00 0.00 H new ATOM 1673 N ILE C 3 10.806 3.325 -2.273 1.00 0.00 N ATOM 1674 CA ILE C 3 10.366 3.218 -0.891 1.00 0.00 C ATOM 1675 C ILE C 3 9.876 4.577 -0.415 1.00 0.00 C ATOM 1676 O ILE C 3 10.437 5.610 -0.788 1.00 0.00 O ATOM 1677 CB ILE C 3 11.510 2.751 0.028 1.00 0.00 C ATOM 1678 CG1 ILE C 3 11.948 1.312 -0.259 1.00 0.00 C ATOM 1679 CG2 ILE C 3 11.017 2.775 1.478 1.00 0.00 C ATOM 1680 CD1 ILE C 3 13.037 1.255 -1.321 1.00 0.00 C ATOM 0 H ILE C 3 11.812 3.460 -2.376 1.00 0.00 H new ATOM 0 HA ILE C 3 9.564 2.482 -0.846 1.00 0.00 H new ATOM 0 HB ILE C 3 12.351 3.422 -0.147 1.00 0.00 H new ATOM 0 HG12 ILE C 3 12.312 0.852 0.660 1.00 0.00 H new ATOM 0 HG13 ILE C 3 11.088 0.729 -0.588 1.00 0.00 H new ATOM 0 HG21 ILE C 3 11.818 2.446 2.140 1.00 0.00 H new ATOM 0 HG22 ILE C 3 10.719 3.789 1.744 1.00 0.00 H new ATOM 0 HG23 ILE C 3 10.162 2.107 1.583 1.00 0.00 H new ATOM 0 HD11 ILE C 3 13.320 0.217 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE C 3 12.664 1.691 -2.248 1.00 0.00 H new ATOM 0 HD13 ILE C 3 13.907 1.816 -0.980 1.00 0.00 H new ATOM 1692 N LEU C 4 8.832 4.564 0.411 1.00 0.00 N ATOM 1693 CA LEU C 4 8.317 5.744 1.081 1.00 0.00 C ATOM 1694 C LEU C 4 7.873 5.328 2.477 1.00 0.00 C ATOM 1695 O LEU C 4 7.203 4.305 2.635 1.00 0.00 O ATOM 1696 CB LEU C 4 7.126 6.314 0.299 1.00 0.00 C ATOM 1697 CG LEU C 4 7.521 6.862 -1.078 1.00 0.00 C ATOM 1698 CD1 LEU C 4 6.266 7.280 -1.838 1.00 0.00 C ATOM 1699 CD2 LEU C 4 8.441 8.073 -0.943 1.00 0.00 C ATOM 0 H LEU C 4 8.314 3.714 0.634 1.00 0.00 H new ATOM 0 HA LEU C 4 9.086 6.515 1.140 1.00 0.00 H new ATOM 0 HB2 LEU C 4 6.375 5.534 0.172 1.00 0.00 H new ATOM 0 HB3 LEU C 4 6.663 7.110 0.882 1.00 0.00 H new ATOM 0 HG LEU C 4 8.050 6.076 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU C 4 6.546 7.670 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU C 4 5.613 6.417 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU C 4 5.741 8.053 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU C 4 8.706 8.441 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU C 4 7.929 8.859 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU C 4 9.347 7.784 -0.410 1.00 0.00 H new ATOM 1711 N THR C 5 8.240 6.113 3.488 1.00 0.00 N ATOM 1712 CA THR C 5 7.791 5.856 4.849 1.00 0.00 C ATOM 1713 C THR C 5 6.597 6.742 5.154 1.00 0.00 C ATOM 1714 O THR C 5 6.498 7.866 4.658 1.00 0.00 O ATOM 1715 CB THR C 5 8.888 6.156 5.871 1.00 0.00 C ATOM 1716 OG1 THR C 5 9.481 7.405 5.602 1.00 0.00 O ATOM 1717 CG2 THR C 5 9.963 5.081 5.855 1.00 0.00 C ATOM 0 H THR C 5 8.845 6.928 3.388 1.00 0.00 H new ATOM 0 HA THR C 5 7.527 4.801 4.921 1.00 0.00 H new ATOM 0 HB THR C 5 8.423 6.175 6.857 1.00 0.00 H new ATOM 0 HG1 THR C 5 10.180 7.585 6.265 1.00 0.00 H new ATOM 0 HG21 THR C 5 10.729 5.322 6.592 1.00 0.00 H new ATOM 0 HG22 THR C 5 9.517 4.117 6.097 1.00 0.00 H new ATOM 0 HG23 THR C 5 10.415 5.033 4.864 1.00 0.00 H new ATOM 1725 N ARG C 6 5.686 6.229 5.977 1.00 0.00 N ATOM 1726 CA ARG C 6 4.564 7.012 6.466 1.00 0.00 C ATOM 1727 C ARG C 6 4.121 6.485 7.821 1.00 0.00 C ATOM 1728 O ARG C 6 4.730 5.557 8.344 1.00 0.00 O ATOM 1729 CB ARG C 6 3.437 7.053 5.431 1.00 0.00 C ATOM 1730 CG ARG C 6 2.843 5.691 5.087 1.00 0.00 C ATOM 1731 CD ARG C 6 1.886 5.912 3.914 1.00 0.00 C ATOM 1732 NE ARG C 6 0.836 4.898 3.891 1.00 0.00 N ATOM 1733 CZ ARG C 6 0.459 4.181 2.823 1.00 0.00 C ATOM 1734 NH1 ARG C 6 1.007 4.390 1.630 1.00 0.00 N ATOM 1735 NH2 ARG C 6 -0.477 3.244 2.939 1.00 0.00 N ATOM 0 H ARG C 6 5.707 5.268 6.319 1.00 0.00 H new ATOM 0 HA ARG C 6 4.872 8.047 6.612 1.00 0.00 H new ATOM 0 HB2 ARG C 6 2.642 7.698 5.804 1.00 0.00 H new ATOM 0 HB3 ARG C 6 3.816 7.511 4.517 1.00 0.00 H new ATOM 0 HG2 ARG C 6 3.627 4.983 4.818 1.00 0.00 H new ATOM 0 HG3 ARG C 6 2.315 5.272 5.943 1.00 0.00 H new ATOM 0 HD2 ARG C 6 1.437 6.902 3.989 1.00 0.00 H new ATOM 0 HD3 ARG C 6 2.442 5.884 2.977 1.00 0.00 H new ATOM 0 HE ARG C 6 0.345 4.719 4.767 1.00 0.00 H new ATOM 0 HH11 ARG C 6 1.726 5.105 1.517 1.00 0.00 H new ATOM 0 HH12 ARG C 6 0.709 3.836 0.828 1.00 0.00 H new ATOM 0 HH21 ARG C 6 -0.912 3.067 3.844 1.00 0.00 H new ATOM 0 HH22 ARG C 6 -0.760 2.702 2.123 1.00 0.00 H new ATOM 1749 N LYS C 7 3.068 7.078 8.385 1.00 0.00 N ATOM 1750 CA LYS C 7 2.607 6.786 9.737 1.00 0.00 C ATOM 1751 C LYS C 7 1.123 6.465 9.652 1.00 0.00 C ATOM 1752 O LYS C 7 0.454 6.944 8.736 1.00 0.00 O ATOM 1753 CB LYS C 7 2.842 8.018 10.625 1.00 0.00 C ATOM 1754 CG LYS C 7 3.331 7.711 12.045 1.00 0.00 C ATOM 1755 CD LYS C 7 4.808 7.307 12.055 1.00 0.00 C ATOM 1756 CE LYS C 7 5.351 7.164 13.475 1.00 0.00 C ATOM 1757 NZ LYS C 7 5.343 8.455 14.188 1.00 0.00 N ATOM 0 H LYS C 7 2.506 7.783 7.907 1.00 0.00 H new ATOM 0 HA LYS C 7 3.147 5.943 10.169 1.00 0.00 H new ATOM 0 HB2 LYS C 7 3.572 8.664 10.138 1.00 0.00 H new ATOM 0 HB3 LYS C 7 1.911 8.582 10.692 1.00 0.00 H new ATOM 0 HG2 LYS C 7 3.188 8.587 12.677 1.00 0.00 H new ATOM 0 HG3 LYS C 7 2.730 6.908 12.472 1.00 0.00 H new ATOM 0 HD2 LYS C 7 4.930 6.363 11.523 1.00 0.00 H new ATOM 0 HD3 LYS C 7 5.392 8.054 11.517 1.00 0.00 H new ATOM 0 HE2 LYS C 7 4.750 6.440 14.025 1.00 0.00 H new ATOM 0 HE3 LYS C 7 6.368 6.773 13.439 1.00 0.00 H new ATOM 0 HZ1 LYS C 7 5.966 8.397 15.019 1.00 0.00 H new ATOM 0 HZ2 LYS C 7 5.683 9.205 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS C 7 4.375 8.675 14.496 1.00 0.00 H new ATOM 1771 N VAL C 8 0.585 5.668 10.578 1.00 0.00 N ATOM 1772 CA VAL C 8 -0.832 5.336 10.516 1.00 0.00 C ATOM 1773 C VAL C 8 -1.670 6.616 10.522 1.00 0.00 C ATOM 1774 O VAL C 8 -1.544 7.436 11.430 1.00 0.00 O ATOM 1775 CB VAL C 8 -1.230 4.350 11.624 1.00 0.00 C ATOM 1776 CG1 VAL C 8 -0.353 3.098 11.537 1.00 0.00 C ATOM 1777 CG2 VAL C 8 -1.092 4.922 13.033 1.00 0.00 C ATOM 0 H VAL C 8 1.095 5.253 11.357 1.00 0.00 H new ATOM 0 HA VAL C 8 -1.035 4.820 9.578 1.00 0.00 H new ATOM 0 HB VAL C 8 -2.283 4.123 11.459 1.00 0.00 H new ATOM 0 HG11 VAL C 8 -0.637 2.399 12.324 1.00 0.00 H new ATOM 0 HG12 VAL C 8 -0.490 2.625 10.565 1.00 0.00 H new ATOM 0 HG13 VAL C 8 0.693 3.377 11.660 1.00 0.00 H new ATOM 0 HG21 VAL C 8 -1.391 4.169 13.762 1.00 0.00 H new ATOM 0 HG22 VAL C 8 -0.055 5.207 13.210 1.00 0.00 H new ATOM 0 HG23 VAL C 8 -1.732 5.799 13.134 1.00 0.00 H new ATOM 1787 N GLY C 9 -2.524 6.782 9.507 1.00 0.00 N ATOM 1788 CA GLY C 9 -3.343 7.975 9.343 1.00 0.00 C ATOM 1789 C GLY C 9 -2.899 8.838 8.157 1.00 0.00 C ATOM 1790 O GLY C 9 -3.464 9.909 7.943 1.00 0.00 O ATOM 0 H GLY C 9 -2.663 6.085 8.775 1.00 0.00 H new ATOM 0 HA2 GLY C 9 -4.383 7.680 9.204 1.00 0.00 H new ATOM 0 HA3 GLY C 9 -3.300 8.569 10.256 1.00 0.00 H new ATOM 1794 N GLU C 10 -1.898 8.390 7.386 1.00 0.00 N ATOM 1795 CA GLU C 10 -1.353 9.151 6.263 1.00 0.00 C ATOM 1796 C GLU C 10 -1.697 8.500 4.920 1.00 0.00 C ATOM 1797 O GLU C 10 -2.411 7.499 4.879 1.00 0.00 O ATOM 1798 CB GLU C 10 0.165 9.280 6.432 1.00 0.00 C ATOM 1799 CG GLU C 10 0.535 10.048 7.703 1.00 0.00 C ATOM 1800 CD GLU C 10 -0.022 11.473 7.692 1.00 0.00 C ATOM 1801 OE1 GLU C 10 0.105 12.141 6.642 1.00 0.00 O ATOM 1802 OE2 GLU C 10 -0.574 11.883 8.739 1.00 0.00 O ATOM 0 H GLU C 10 -1.445 7.487 7.528 1.00 0.00 H new ATOM 0 HA GLU C 10 -1.805 10.143 6.261 1.00 0.00 H new ATOM 0 HB2 GLU C 10 0.612 8.287 6.465 1.00 0.00 H new ATOM 0 HB3 GLU C 10 0.585 9.790 5.565 1.00 0.00 H new ATOM 0 HG2 GLU C 10 0.152 9.515 8.573 1.00 0.00 H new ATOM 0 HG3 GLU C 10 1.620 10.083 7.803 1.00 0.00 H new ATOM 1809 N SER C 11 -1.188 9.072 3.819 1.00 0.00 N ATOM 1810 CA SER C 11 -1.528 8.637 2.469 1.00 0.00 C ATOM 1811 C SER C 11 -0.377 8.844 1.485 1.00 0.00 C ATOM 1812 O SER C 11 0.598 9.529 1.794 1.00 0.00 O ATOM 1813 CB SER C 11 -2.749 9.422 1.978 1.00 0.00 C ATOM 1814 OG SER C 11 -3.873 9.169 2.793 1.00 0.00 O ATOM 0 H SER C 11 -0.529 9.850 3.847 1.00 0.00 H new ATOM 0 HA SER C 11 -1.742 7.569 2.513 1.00 0.00 H new ATOM 0 HB2 SER C 11 -2.525 10.489 1.981 1.00 0.00 H new ATOM 0 HB3 SER C 11 -2.973 9.146 0.947 1.00 0.00 H new ATOM 0 HG SER C 11 -4.640 9.682 2.462 1.00 0.00 H new ATOM 1820 N ILE C 12 -0.508 8.243 0.300 1.00 0.00 N ATOM 1821 CA ILE C 12 0.452 8.307 -0.800 1.00 0.00 C ATOM 1822 C ILE C 12 -0.337 8.289 -2.114 1.00 0.00 C ATOM 1823 O ILE C 12 -1.518 7.942 -2.111 1.00 0.00 O ATOM 1824 CB ILE C 12 1.443 7.132 -0.673 1.00 0.00 C ATOM 1825 CG1 ILE C 12 2.273 7.326 0.610 1.00 0.00 C ATOM 1826 CG2 ILE C 12 2.378 7.005 -1.876 1.00 0.00 C ATOM 1827 CD1 ILE C 12 3.491 6.405 0.699 1.00 0.00 C ATOM 0 H ILE C 12 -1.323 7.674 0.073 1.00 0.00 H new ATOM 0 HA ILE C 12 1.044 9.222 -0.775 1.00 0.00 H new ATOM 0 HB ILE C 12 0.862 6.211 -0.632 1.00 0.00 H new ATOM 0 HG12 ILE C 12 2.607 8.362 0.663 1.00 0.00 H new ATOM 0 HG13 ILE C 12 1.634 7.153 1.476 1.00 0.00 H new ATOM 0 HG21 ILE C 12 3.051 6.160 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE C 12 1.789 6.844 -2.779 1.00 0.00 H new ATOM 0 HG23 ILE C 12 2.962 7.920 -1.981 1.00 0.00 H new ATOM 0 HD11 ILE C 12 4.026 6.599 1.628 1.00 0.00 H new ATOM 0 HD12 ILE C 12 3.163 5.366 0.679 1.00 0.00 H new ATOM 0 HD13 ILE C 12 4.152 6.594 -0.147 1.00 0.00 H new ATOM 1839 N ASN C 13 0.293 8.653 -3.236 1.00 0.00 N ATOM 1840 CA ASN C 13 -0.383 8.773 -4.523 1.00 0.00 C ATOM 1841 C ASN C 13 0.370 8.041 -5.626 1.00 0.00 C ATOM 1842 O ASN C 13 1.585 7.860 -5.561 1.00 0.00 O ATOM 1843 CB ASN C 13 -0.504 10.254 -4.891 1.00 0.00 C ATOM 1844 CG ASN C 13 -1.719 10.886 -4.228 1.00 0.00 C ATOM 1845 OD1 ASN C 13 -2.729 11.142 -4.876 1.00 0.00 O ATOM 1846 ND2 ASN C 13 -1.628 11.139 -2.928 1.00 0.00 N ATOM 0 H ASN C 13 1.288 8.872 -3.273 1.00 0.00 H new ATOM 0 HA ASN C 13 -1.370 8.319 -4.431 1.00 0.00 H new ATOM 0 HB2 ASN C 13 0.398 10.783 -4.584 1.00 0.00 H new ATOM 0 HB3 ASN C 13 -0.581 10.358 -5.973 1.00 0.00 H new ATOM 0 HD21 ASN C 13 -2.415 11.560 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN C 13 -0.771 10.912 -2.423 1.00 0.00 H new ATOM 1853 N ILE C 14 -0.380 7.623 -6.647 1.00 0.00 N ATOM 1854 CA ILE C 14 0.146 6.918 -7.809 1.00 0.00 C ATOM 1855 C ILE C 14 -0.623 7.391 -9.041 1.00 0.00 C ATOM 1856 O ILE C 14 -1.839 7.580 -8.988 1.00 0.00 O ATOM 1857 CB ILE C 14 -0.008 5.402 -7.624 1.00 0.00 C ATOM 1858 CG1 ILE C 14 0.681 4.937 -6.332 1.00 0.00 C ATOM 1859 CG2 ILE C 14 0.583 4.671 -8.835 1.00 0.00 C ATOM 1860 CD1 ILE C 14 0.531 3.432 -6.095 1.00 0.00 C ATOM 0 H ILE C 14 -1.389 7.770 -6.687 1.00 0.00 H new ATOM 0 HA ILE C 14 1.208 7.132 -7.931 1.00 0.00 H new ATOM 0 HB ILE C 14 -1.069 5.166 -7.545 1.00 0.00 H new ATOM 0 HG12 ILE C 14 1.740 5.190 -6.378 1.00 0.00 H new ATOM 0 HG13 ILE C 14 0.260 5.478 -5.485 1.00 0.00 H new ATOM 0 HG21 ILE C 14 0.472 3.595 -8.700 1.00 0.00 H new ATOM 0 HG22 ILE C 14 0.057 4.980 -9.739 1.00 0.00 H new ATOM 0 HG23 ILE C 14 1.641 4.918 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE C 14 1.036 3.157 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE C 14 -0.527 3.179 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE C 14 0.976 2.886 -6.927 1.00 0.00 H new ATOM 1872 N GLY C 15 0.087 7.586 -10.155 1.00 0.00 N ATOM 1873 CA GLY C 15 -0.523 8.101 -11.369 1.00 0.00 C ATOM 1874 C GLY C 15 -1.246 9.412 -11.071 1.00 0.00 C ATOM 1875 O GLY C 15 -0.754 10.242 -10.305 1.00 0.00 O ATOM 0 H GLY C 15 1.085 7.393 -10.235 1.00 0.00 H new ATOM 0 HA2 GLY C 15 0.240 8.261 -12.130 1.00 0.00 H new ATOM 0 HA3 GLY C 15 -1.226 7.371 -11.771 1.00 0.00 H new ATOM 1879 N ASP C 16 -2.414 9.593 -11.685 1.00 0.00 N ATOM 1880 CA ASP C 16 -3.266 10.752 -11.458 1.00 0.00 C ATOM 1881 C ASP C 16 -4.700 10.312 -11.167 1.00 0.00 C ATOM 1882 O ASP C 16 -5.618 11.132 -11.166 1.00 0.00 O ATOM 1883 CB ASP C 16 -3.173 11.723 -12.638 1.00 0.00 C ATOM 1884 CG ASP C 16 -3.726 11.130 -13.932 1.00 0.00 C ATOM 1885 OD1 ASP C 16 -3.125 10.149 -14.428 1.00 0.00 O ATOM 1886 OD2 ASP C 16 -4.747 11.660 -14.417 1.00 0.00 O ATOM 0 H ASP C 16 -2.796 8.931 -12.360 1.00 0.00 H new ATOM 0 HA ASP C 16 -2.916 11.290 -10.577 1.00 0.00 H new ATOM 0 HB2 ASP C 16 -3.720 12.635 -12.398 1.00 0.00 H new ATOM 0 HB3 ASP C 16 -2.131 12.007 -12.789 1.00 0.00 H new ATOM 1891 N ASP C 17 -4.892 9.007 -10.923 1.00 0.00 N ATOM 1892 CA ASP C 17 -6.198 8.420 -10.650 1.00 0.00 C ATOM 1893 C ASP C 17 -6.151 7.404 -9.503 1.00 0.00 C ATOM 1894 O ASP C 17 -7.146 6.724 -9.263 1.00 0.00 O ATOM 1895 CB ASP C 17 -6.742 7.743 -11.914 1.00 0.00 C ATOM 1896 CG ASP C 17 -7.035 8.738 -13.031 1.00 0.00 C ATOM 1897 OD1 ASP C 17 -7.972 9.549 -12.851 1.00 0.00 O ATOM 1898 OD2 ASP C 17 -6.327 8.680 -14.060 1.00 0.00 O ATOM 0 H ASP C 17 -4.131 8.328 -10.911 1.00 0.00 H new ATOM 0 HA ASP C 17 -6.859 9.231 -10.346 1.00 0.00 H new ATOM 0 HB2 ASP C 17 -6.019 7.008 -12.268 1.00 0.00 H new ATOM 0 HB3 ASP C 17 -7.654 7.200 -11.667 1.00 0.00 H new ATOM 1903 N ILE C 18 -5.022 7.281 -8.787 1.00 0.00 N ATOM 1904 CA ILE C 18 -4.927 6.319 -7.699 1.00 0.00 C ATOM 1905 C ILE C 18 -4.344 6.977 -6.450 1.00 0.00 C ATOM 1906 O ILE C 18 -3.466 7.834 -6.534 1.00 0.00 O ATOM 1907 CB ILE C 18 -4.078 5.105 -8.116 1.00 0.00 C ATOM 1908 CG1 ILE C 18 -4.639 4.391 -9.353 1.00 0.00 C ATOM 1909 CG2 ILE C 18 -4.025 4.090 -6.968 1.00 0.00 C ATOM 1910 CD1 ILE C 18 -4.032 4.946 -10.641 1.00 0.00 C ATOM 0 H ILE C 18 -4.178 7.831 -8.945 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.932 5.968 -7.466 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.085 5.486 -8.356 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -4.433 3.323 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -5.723 4.506 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -3.423 3.232 -7.268 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -3.579 4.557 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -5.035 3.758 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -4.451 4.418 -11.498 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -4.260 6.009 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -2.951 4.808 -10.623 1.00 0.00 H new ATOM 1922 N THR C 19 -4.847 6.558 -5.284 1.00 0.00 N ATOM 1923 CA THR C 19 -4.390 7.036 -3.986 1.00 0.00 C ATOM 1924 C THR C 19 -4.336 5.854 -3.027 1.00 0.00 C ATOM 1925 O THR C 19 -5.056 4.875 -3.215 1.00 0.00 O ATOM 1926 CB THR C 19 -5.347 8.123 -3.472 1.00 0.00 C ATOM 1927 OG1 THR C 19 -5.467 9.148 -4.431 1.00 0.00 O ATOM 1928 CG2 THR C 19 -4.851 8.743 -2.168 1.00 0.00 C ATOM 0 H THR C 19 -5.594 5.867 -5.221 1.00 0.00 H new ATOM 0 HA THR C 19 -3.395 7.474 -4.067 1.00 0.00 H new ATOM 0 HB THR C 19 -6.311 7.647 -3.292 1.00 0.00 H new ATOM 0 HG1 THR C 19 -6.079 9.837 -4.098 1.00 0.00 H new ATOM 0 HG21 THR C 19 -5.555 9.507 -1.837 1.00 0.00 H new ATOM 0 HG22 THR C 19 -4.770 7.969 -1.405 1.00 0.00 H new ATOM 0 HG23 THR C 19 -3.873 9.196 -2.330 1.00 0.00 H new ATOM 1936 N ILE C 20 -3.485 5.943 -2.002 1.00 0.00 N ATOM 1937 CA ILE C 20 -3.260 4.871 -1.040 1.00 0.00 C ATOM 1938 C ILE C 20 -3.319 5.460 0.364 1.00 0.00 C ATOM 1939 O ILE C 20 -2.967 6.624 0.557 1.00 0.00 O ATOM 1940 CB ILE C 20 -1.875 4.246 -1.292 1.00 0.00 C ATOM 1941 CG1 ILE C 20 -1.647 3.863 -2.763 1.00 0.00 C ATOM 1942 CG2 ILE C 20 -1.688 3.020 -0.391 1.00 0.00 C ATOM 1943 CD1 ILE C 20 -2.545 2.713 -3.226 1.00 0.00 C ATOM 0 H ILE C 20 -2.926 6.776 -1.818 1.00 0.00 H new ATOM 0 HA ILE C 20 -4.022 4.099 -1.146 1.00 0.00 H new ATOM 0 HB ILE C 20 -1.132 5.006 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE C 20 -1.828 4.734 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE C 20 -0.603 3.581 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE C 20 -0.707 2.581 -0.573 1.00 0.00 H new ATOM 0 HG22 ILE C 20 -1.763 3.321 0.654 1.00 0.00 H new ATOM 0 HG23 ILE C 20 -2.461 2.284 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE C 20 -2.338 2.488 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE C 20 -2.347 1.830 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE C 20 -3.591 3.001 -3.117 1.00 0.00 H new ATOM 1955 N THR C 21 -3.759 4.672 1.348 1.00 0.00 N ATOM 1956 CA THR C 21 -3.888 5.126 2.728 1.00 0.00 C ATOM 1957 C THR C 21 -3.448 4.023 3.687 1.00 0.00 C ATOM 1958 O THR C 21 -3.525 2.841 3.359 1.00 0.00 O ATOM 1959 CB THR C 21 -5.346 5.520 2.985 1.00 0.00 C ATOM 1960 OG1 THR C 21 -5.774 6.447 2.014 1.00 0.00 O ATOM 1961 CG2 THR C 21 -5.539 6.151 4.362 1.00 0.00 C ATOM 0 H THR C 21 -4.035 3.700 1.206 1.00 0.00 H new ATOM 0 HA THR C 21 -3.247 5.992 2.895 1.00 0.00 H new ATOM 0 HB THR C 21 -5.933 4.603 2.934 1.00 0.00 H new ATOM 0 HG1 THR C 21 -6.707 6.692 2.185 1.00 0.00 H new ATOM 0 HG21 THR C 21 -6.588 6.414 4.498 1.00 0.00 H new ATOM 0 HG22 THR C 21 -5.240 5.441 5.133 1.00 0.00 H new ATOM 0 HG23 THR C 21 -4.927 7.050 4.439 1.00 0.00 H new ATOM 1969 N ILE C 22 -2.983 4.410 4.877 1.00 0.00 N ATOM 1970 CA ILE C 22 -2.568 3.483 5.922 1.00 0.00 C ATOM 1971 C ILE C 22 -3.548 3.593 7.085 1.00 0.00 C ATOM 1972 O ILE C 22 -3.437 4.484 7.928 1.00 0.00 O ATOM 1973 CB ILE C 22 -1.105 3.735 6.319 1.00 0.00 C ATOM 1974 CG1 ILE C 22 -0.682 2.970 7.572 1.00 0.00 C ATOM 1975 CG2 ILE C 22 -0.818 5.221 6.544 1.00 0.00 C ATOM 1976 CD1 ILE C 22 -0.765 1.463 7.358 1.00 0.00 C ATOM 0 H ILE C 22 -2.884 5.390 5.141 1.00 0.00 H new ATOM 0 HA ILE C 22 -2.597 2.454 5.563 1.00 0.00 H new ATOM 0 HB ILE C 22 -0.523 3.369 5.473 1.00 0.00 H new ATOM 0 HG12 ILE C 22 0.338 3.245 7.841 1.00 0.00 H new ATOM 0 HG13 ILE C 22 -1.321 3.256 8.408 1.00 0.00 H new ATOM 0 HG21 ILE C 22 0.228 5.351 6.823 1.00 0.00 H new ATOM 0 HG22 ILE C 22 -1.021 5.774 5.627 1.00 0.00 H new ATOM 0 HG23 ILE C 22 -1.456 5.598 7.343 1.00 0.00 H new ATOM 0 HD11 ILE C 22 -0.457 0.949 8.268 1.00 0.00 H new ATOM 0 HD12 ILE C 22 -1.791 1.186 7.114 1.00 0.00 H new ATOM 0 HD13 ILE C 22 -0.106 1.175 6.539 1.00 0.00 H new ATOM 1988 N LEU C 23 -4.518 2.677 7.135 1.00 0.00 N ATOM 1989 CA LEU C 23 -5.552 2.719 8.156 1.00 0.00 C ATOM 1990 C LEU C 23 -4.976 2.328 9.515 1.00 0.00 C ATOM 1991 O LEU C 23 -5.457 2.802 10.542 1.00 0.00 O ATOM 1992 CB LEU C 23 -6.698 1.775 7.779 1.00 0.00 C ATOM 1993 CG LEU C 23 -7.182 1.954 6.337 1.00 0.00 C ATOM 1994 CD1 LEU C 23 -8.378 1.038 6.099 1.00 0.00 C ATOM 1995 CD2 LEU C 23 -7.622 3.387 6.044 1.00 0.00 C ATOM 0 H LEU C 23 -4.604 1.901 6.479 1.00 0.00 H new ATOM 0 HA LEU C 23 -5.936 3.737 8.222 1.00 0.00 H new ATOM 0 HB2 LEU C 23 -6.372 0.745 7.920 1.00 0.00 H new ATOM 0 HB3 LEU C 23 -7.534 1.940 8.459 1.00 0.00 H new ATOM 0 HG LEU C 23 -6.346 1.710 5.681 1.00 0.00 H new ATOM 0 HD11 LEU C 23 -8.730 1.158 5.074 1.00 0.00 H new ATOM 0 HD12 LEU C 23 -8.081 0.002 6.261 1.00 0.00 H new ATOM 0 HD13 LEU C 23 -9.179 1.298 6.791 1.00 0.00 H new ATOM 0 HD21 LEU C 23 -7.956 3.461 5.009 1.00 0.00 H new ATOM 0 HD22 LEU C 23 -8.441 3.660 6.710 1.00 0.00 H new ATOM 0 HD23 LEU C 23 -6.784 4.065 6.204 1.00 0.00 H new ATOM 2007 N GLY C 24 -3.947 1.467 9.536 1.00 0.00 N ATOM 2008 CA GLY C 24 -3.274 1.136 10.788 1.00 0.00 C ATOM 2009 C GLY C 24 -2.519 -0.187 10.729 1.00 0.00 C ATOM 2010 O GLY C 24 -2.363 -0.770 9.657 1.00 0.00 O ATOM 0 H GLY C 24 -3.572 0.997 8.712 1.00 0.00 H new ATOM 0 HA2 GLY C 24 -2.577 1.935 11.041 1.00 0.00 H new ATOM 0 HA3 GLY C 24 -4.012 1.091 11.589 1.00 0.00 H new ATOM 2014 N VAL C 25 -2.055 -0.661 11.889 1.00 0.00 N ATOM 2015 CA VAL C 25 -1.345 -1.934 12.003 1.00 0.00 C ATOM 2016 C VAL C 25 -1.889 -2.739 13.180 1.00 0.00 C ATOM 2017 O VAL C 25 -2.605 -2.213 14.029 1.00 0.00 O ATOM 2018 CB VAL C 25 0.173 -1.728 12.160 1.00 0.00 C ATOM 2019 CG1 VAL C 25 0.710 -0.752 11.111 1.00 0.00 C ATOM 2020 CG2 VAL C 25 0.529 -1.206 13.553 1.00 0.00 C ATOM 0 H VAL C 25 -2.163 -0.170 12.776 1.00 0.00 H new ATOM 0 HA VAL C 25 -1.512 -2.488 11.079 1.00 0.00 H new ATOM 0 HB VAL C 25 0.637 -2.704 12.018 1.00 0.00 H new ATOM 0 HG11 VAL C 25 1.784 -0.626 11.247 1.00 0.00 H new ATOM 0 HG12 VAL C 25 0.514 -1.146 10.114 1.00 0.00 H new ATOM 0 HG13 VAL C 25 0.215 0.212 11.224 1.00 0.00 H new ATOM 0 HG21 VAL C 25 1.608 -1.073 13.627 1.00 0.00 H new ATOM 0 HG22 VAL C 25 0.033 -0.250 13.721 1.00 0.00 H new ATOM 0 HG23 VAL C 25 0.200 -1.923 14.305 1.00 0.00 H new ATOM 2030 N SER C 26 -1.540 -4.025 13.216 1.00 0.00 N ATOM 2031 CA SER C 26 -1.900 -4.931 14.293 1.00 0.00 C ATOM 2032 C SER C 26 -0.833 -6.010 14.342 1.00 0.00 C ATOM 2033 O SER C 26 -0.843 -6.929 13.525 1.00 0.00 O ATOM 2034 CB SER C 26 -3.281 -5.535 14.036 1.00 0.00 C ATOM 2035 OG SER C 26 -3.624 -6.414 15.081 1.00 0.00 O ATOM 0 H SER C 26 -0.989 -4.469 12.481 1.00 0.00 H new ATOM 0 HA SER C 26 -1.952 -4.407 15.247 1.00 0.00 H new ATOM 0 HB2 SER C 26 -4.025 -4.742 13.958 1.00 0.00 H new ATOM 0 HB3 SER C 26 -3.283 -6.069 13.086 1.00 0.00 H new ATOM 0 HG SER C 26 -4.510 -6.796 14.910 1.00 0.00 H new ATOM 2041 N GLY C 27 0.098 -5.897 15.292 1.00 0.00 N ATOM 2042 CA GLY C 27 1.272 -6.752 15.293 1.00 0.00 C ATOM 2043 C GLY C 27 2.073 -6.470 14.029 1.00 0.00 C ATOM 2044 O GLY C 27 2.637 -5.386 13.888 1.00 0.00 O ATOM 0 H GLY C 27 0.057 -5.227 16.060 1.00 0.00 H new ATOM 0 HA2 GLY C 27 1.880 -6.561 16.178 1.00 0.00 H new ATOM 0 HA3 GLY C 27 0.977 -7.801 15.329 1.00 0.00 H new ATOM 2048 N GLN C 28 2.120 -7.440 13.113 1.00 0.00 N ATOM 2049 CA GLN C 28 2.829 -7.296 11.848 1.00 0.00 C ATOM 2050 C GLN C 28 1.856 -7.161 10.684 1.00 0.00 C ATOM 2051 O GLN C 28 2.278 -7.033 9.537 1.00 0.00 O ATOM 2052 CB GLN C 28 3.771 -8.488 11.650 1.00 0.00 C ATOM 2053 CG GLN C 28 5.192 -8.127 12.085 1.00 0.00 C ATOM 2054 CD GLN C 28 5.204 -7.421 13.440 1.00 0.00 C ATOM 2055 OE1 GLN C 28 5.028 -8.048 14.482 1.00 0.00 O ATOM 2056 NE2 GLN C 28 5.415 -6.106 13.428 1.00 0.00 N ATOM 0 H GLN C 28 1.666 -8.346 13.231 1.00 0.00 H new ATOM 0 HA GLN C 28 3.421 -6.381 11.877 1.00 0.00 H new ATOM 0 HB2 GLN C 28 3.414 -9.341 12.227 1.00 0.00 H new ATOM 0 HB3 GLN C 28 3.771 -8.789 10.602 1.00 0.00 H new ATOM 0 HG2 GLN C 28 5.797 -9.032 12.140 1.00 0.00 H new ATOM 0 HG3 GLN C 28 5.650 -7.483 11.335 1.00 0.00 H new ATOM 0 HE21 GLN C 28 5.557 -5.620 12.542 1.00 0.00 H new ATOM 0 HE22 GLN C 28 5.435 -5.585 14.304 1.00 0.00 H new ATOM 2065 N GLN C 29 0.552 -7.187 10.972 1.00 0.00 N ATOM 2066 CA GLN C 29 -0.466 -6.935 9.969 1.00 0.00 C ATOM 2067 C GLN C 29 -0.584 -5.436 9.753 1.00 0.00 C ATOM 2068 O GLN C 29 -0.220 -4.643 10.623 1.00 0.00 O ATOM 2069 CB GLN C 29 -1.811 -7.490 10.434 1.00 0.00 C ATOM 2070 CG GLN C 29 -1.753 -9.015 10.460 1.00 0.00 C ATOM 2071 CD GLN C 29 -2.924 -9.629 11.200 1.00 0.00 C ATOM 2072 OE1 GLN C 29 -4.025 -8.893 11.328 1.00 0.00 O flip ATOM 2073 NE2 GLN C 29 -2.837 -10.765 11.652 1.00 0.00 N flip ATOM 0 H GLN C 29 0.182 -7.383 11.902 1.00 0.00 H new ATOM 0 HA GLN C 29 -0.186 -7.426 9.037 1.00 0.00 H new ATOM 0 HB2 GLN C 29 -2.050 -7.108 11.426 1.00 0.00 H new ATOM 0 HB3 GLN C 29 -2.604 -7.157 9.765 1.00 0.00 H new ATOM 0 HG2 GLN C 29 -1.736 -9.392 9.437 1.00 0.00 H new ATOM 0 HG3 GLN C 29 -0.823 -9.332 10.932 1.00 0.00 H new ATOM 0 HE21 GLN C 29 -1.975 -11.297 11.533 1.00 0.00 H new ATOM 0 HE22 GLN C 29 -3.627 -11.179 12.147 1.00 0.00 H new ATOM 2082 N VAL C 30 -1.100 -5.051 8.588 1.00 0.00 N ATOM 2083 CA VAL C 30 -1.265 -3.658 8.231 1.00 0.00 C ATOM 2084 C VAL C 30 -2.561 -3.516 7.446 1.00 0.00 C ATOM 2085 O VAL C 30 -2.703 -4.118 6.383 1.00 0.00 O ATOM 2086 CB VAL C 30 -0.078 -3.204 7.368 1.00 0.00 C ATOM 2087 CG1 VAL C 30 -0.181 -1.711 7.082 1.00 0.00 C ATOM 2088 CG2 VAL C 30 1.257 -3.457 8.072 1.00 0.00 C ATOM 0 H VAL C 30 -1.414 -5.703 7.869 1.00 0.00 H new ATOM 0 HA VAL C 30 -1.303 -3.039 9.128 1.00 0.00 H new ATOM 0 HB VAL C 30 -0.114 -3.780 6.443 1.00 0.00 H new ATOM 0 HG11 VAL C 30 0.665 -1.399 6.470 1.00 0.00 H new ATOM 0 HG12 VAL C 30 -1.110 -1.506 6.550 1.00 0.00 H new ATOM 0 HG13 VAL C 30 -0.172 -1.159 8.022 1.00 0.00 H new ATOM 0 HG21 VAL C 30 2.074 -3.124 7.433 1.00 0.00 H new ATOM 0 HG22 VAL C 30 1.283 -2.905 9.012 1.00 0.00 H new ATOM 0 HG23 VAL C 30 1.366 -4.523 8.274 1.00 0.00 H new ATOM 2098 N ARG C 31 -3.513 -2.730 7.959 1.00 0.00 N ATOM 2099 CA ARG C 31 -4.692 -2.378 7.184 1.00 0.00 C ATOM 2100 C ARG C 31 -4.288 -1.275 6.226 1.00 0.00 C ATOM 2101 O ARG C 31 -3.951 -0.170 6.658 1.00 0.00 O ATOM 2102 CB ARG C 31 -5.835 -1.864 8.060 1.00 0.00 C ATOM 2103 CG ARG C 31 -6.684 -2.985 8.657 1.00 0.00 C ATOM 2104 CD ARG C 31 -7.988 -2.370 9.175 1.00 0.00 C ATOM 2105 NE ARG C 31 -8.858 -3.371 9.802 1.00 0.00 N ATOM 2106 CZ ARG C 31 -8.668 -3.886 11.021 1.00 0.00 C ATOM 2107 NH1 ARG C 31 -7.658 -3.475 11.784 1.00 0.00 N ATOM 2108 NH2 ARG C 31 -9.492 -4.817 11.484 1.00 0.00 N ATOM 0 H ARG C 31 -3.486 -2.332 8.898 1.00 0.00 H new ATOM 0 HA ARG C 31 -5.050 -3.270 6.670 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -5.422 -1.260 8.868 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -6.473 -1.210 7.467 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -6.894 -3.745 7.905 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -6.148 -3.478 9.467 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -7.757 -1.587 9.897 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -8.518 -1.896 8.349 1.00 0.00 H new ATOM 0 HE ARG C 31 -9.665 -3.697 9.270 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -7.018 -2.759 11.441 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -7.524 -3.876 12.712 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -10.271 -5.140 10.910 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -9.347 -5.210 12.414 1.00 0.00 H new ATOM 2122 N ILE C 32 -4.333 -1.589 4.934 1.00 0.00 N ATOM 2123 CA ILE C 32 -3.991 -0.659 3.877 1.00 0.00 C ATOM 2124 C ILE C 32 -5.262 -0.388 3.080 1.00 0.00 C ATOM 2125 O ILE C 32 -6.053 -1.302 2.852 1.00 0.00 O ATOM 2126 CB ILE C 32 -2.903 -1.262 2.977 1.00 0.00 C ATOM 2127 CG1 ILE C 32 -1.767 -1.853 3.821 1.00 0.00 C ATOM 2128 CG2 ILE C 32 -2.378 -0.189 2.018 1.00 0.00 C ATOM 2129 CD1 ILE C 32 -0.614 -2.389 2.970 1.00 0.00 C ATOM 0 H ILE C 32 -4.612 -2.509 4.594 1.00 0.00 H new ATOM 0 HA ILE C 32 -3.599 0.271 4.289 1.00 0.00 H new ATOM 0 HB ILE C 32 -3.333 -2.074 2.391 1.00 0.00 H new ATOM 0 HG12 ILE C 32 -1.388 -1.088 4.498 1.00 0.00 H new ATOM 0 HG13 ILE C 32 -2.161 -2.659 4.440 1.00 0.00 H new ATOM 0 HG21 ILE C 32 -1.606 -0.618 1.380 1.00 0.00 H new ATOM 0 HG22 ILE C 32 -3.197 0.179 1.400 1.00 0.00 H new ATOM 0 HG23 ILE C 32 -1.957 0.637 2.591 1.00 0.00 H new ATOM 0 HD11 ILE C 32 0.161 -2.795 3.621 1.00 0.00 H new ATOM 0 HD12 ILE C 32 -0.983 -3.175 2.311 1.00 0.00 H new ATOM 0 HD13 ILE C 32 -0.197 -1.579 2.371 1.00 0.00 H new ATOM 2141 N GLY C 33 -5.453 0.861 2.663 1.00 0.00 N ATOM 2142 CA GLY C 33 -6.622 1.255 1.899 1.00 0.00 C ATOM 2143 C GLY C 33 -6.177 1.770 0.543 1.00 0.00 C ATOM 2144 O GLY C 33 -5.077 2.307 0.414 1.00 0.00 O ATOM 0 H GLY C 33 -4.801 1.623 2.847 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -7.295 0.406 1.777 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -7.177 2.028 2.431 1.00 0.00 H new ATOM 2148 N ILE C 34 -7.032 1.605 -0.467 1.00 0.00 N ATOM 2149 CA ILE C 34 -6.720 2.033 -1.817 1.00 0.00 C ATOM 2150 C ILE C 34 -7.946 2.722 -2.394 1.00 0.00 C ATOM 2151 O ILE C 34 -9.076 2.338 -2.098 1.00 0.00 O ATOM 2152 CB ILE C 34 -6.300 0.821 -2.659 1.00 0.00 C ATOM 2153 CG1 ILE C 34 -5.079 0.152 -2.013 1.00 0.00 C ATOM 2154 CG2 ILE C 34 -5.988 1.277 -4.092 1.00 0.00 C ATOM 2155 CD1 ILE C 34 -4.673 -1.134 -2.725 1.00 0.00 C ATOM 0 H ILE C 34 -7.951 1.174 -0.367 1.00 0.00 H new ATOM 0 HA ILE C 34 -5.887 2.736 -1.820 1.00 0.00 H new ATOM 0 HB ILE C 34 -7.110 0.093 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE C 34 -4.240 0.848 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE C 34 -5.300 -0.069 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE C 34 -5.690 0.416 -4.691 1.00 0.00 H new ATOM 0 HG22 ILE C 34 -6.876 1.734 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE C 34 -5.177 2.005 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE C 34 -3.805 -1.567 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE C 34 -5.500 -1.844 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE C 34 -4.424 -0.912 -3.763 1.00 0.00 H new ATOM 2167 N ASN C 35 -7.715 3.742 -3.220 1.00 0.00 N ATOM 2168 CA ASN C 35 -8.780 4.524 -3.810 1.00 0.00 C ATOM 2169 C ASN C 35 -8.470 4.738 -5.287 1.00 0.00 C ATOM 2170 O ASN C 35 -7.628 5.561 -5.647 1.00 0.00 O ATOM 2171 CB ASN C 35 -8.911 5.844 -3.046 1.00 0.00 C ATOM 2172 CG ASN C 35 -10.161 6.616 -3.430 1.00 0.00 C ATOM 2173 OD1 ASN C 35 -10.837 6.292 -4.403 1.00 0.00 O ATOM 2174 ND2 ASN C 35 -10.479 7.654 -2.663 1.00 0.00 N ATOM 0 H ASN C 35 -6.780 4.043 -3.494 1.00 0.00 H new ATOM 0 HA ASN C 35 -9.737 4.006 -3.740 1.00 0.00 H new ATOM 0 HB2 ASN C 35 -8.928 5.640 -1.975 1.00 0.00 H new ATOM 0 HB3 ASN C 35 -8.033 6.461 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN C 35 -11.308 8.210 -2.875 1.00 0.00 H new ATOM 0 HD22 ASN C 35 -9.895 7.895 -1.862 1.00 0.00 H new ATOM 2181 N ALA C 36 -9.168 3.982 -6.136 1.00 0.00 N ATOM 2182 CA ALA C 36 -8.979 4.019 -7.573 1.00 0.00 C ATOM 2183 C ALA C 36 -10.324 3.791 -8.268 1.00 0.00 C ATOM 2184 O ALA C 36 -11.220 3.188 -7.678 1.00 0.00 O ATOM 2185 CB ALA C 36 -7.991 2.910 -7.952 1.00 0.00 C ATOM 0 H ALA C 36 -9.886 3.323 -5.835 1.00 0.00 H new ATOM 0 HA ALA C 36 -8.586 4.987 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA C 36 -7.832 2.917 -9.030 1.00 0.00 H new ATOM 0 HB2 ALA C 36 -7.042 3.079 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA C 36 -8.396 1.944 -7.651 1.00 0.00 H new ATOM 2191 N PRO C 37 -10.483 4.262 -9.512 1.00 0.00 N ATOM 2192 CA PRO C 37 -11.687 4.057 -10.295 1.00 0.00 C ATOM 2193 C PRO C 37 -11.792 2.601 -10.729 1.00 0.00 C ATOM 2194 O PRO C 37 -10.776 1.927 -10.898 1.00 0.00 O ATOM 2195 CB PRO C 37 -11.531 4.966 -11.515 1.00 0.00 C ATOM 2196 CG PRO C 37 -10.016 5.078 -11.691 1.00 0.00 C ATOM 2197 CD PRO C 37 -9.506 5.034 -10.255 1.00 0.00 C ATOM 0 HA PRO C 37 -12.589 4.287 -9.728 1.00 0.00 H new ATOM 0 HB2 PRO C 37 -12.006 4.537 -12.397 1.00 0.00 H new ATOM 0 HB3 PRO C 37 -11.988 5.941 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO C 37 -9.616 4.258 -12.288 1.00 0.00 H new ATOM 0 HG3 PRO C 37 -9.734 6.004 -12.192 1.00 0.00 H new ATOM 0 HD2 PRO C 37 -8.521 4.571 -10.204 1.00 0.00 H new ATOM 0 HD3 PRO C 37 -9.407 6.039 -9.844 1.00 0.00 H new ATOM 2205 N LYS C 38 -13.018 2.103 -10.913 1.00 0.00 N ATOM 2206 CA LYS C 38 -13.234 0.746 -11.403 1.00 0.00 C ATOM 2207 C LYS C 38 -12.699 0.602 -12.827 1.00 0.00 C ATOM 2208 O LYS C 38 -12.724 -0.491 -13.391 1.00 0.00 O ATOM 2209 CB LYS C 38 -14.723 0.390 -11.315 1.00 0.00 C ATOM 2210 CG LYS C 38 -15.176 0.256 -9.856 1.00 0.00 C ATOM 2211 CD LYS C 38 -14.641 -1.008 -9.170 1.00 0.00 C ATOM 2212 CE LYS C 38 -15.584 -2.202 -9.336 1.00 0.00 C ATOM 2213 NZ LYS C 38 -15.689 -2.641 -10.741 1.00 0.00 N ATOM 0 H LYS C 38 -13.875 2.624 -10.728 1.00 0.00 H new ATOM 0 HA LYS C 38 -12.684 0.044 -10.776 1.00 0.00 H new ATOM 0 HB2 LYS C 38 -15.314 1.159 -11.813 1.00 0.00 H new ATOM 0 HB3 LYS C 38 -14.908 -0.545 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS C 38 -14.845 1.132 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS C 38 -16.265 0.248 -9.820 1.00 0.00 H new ATOM 0 HD2 LYS C 38 -13.665 -1.258 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS C 38 -14.494 -0.808 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS C 38 -15.228 -3.031 -8.724 1.00 0.00 H new ATOM 0 HE3 LYS C 38 -16.574 -1.935 -8.966 1.00 0.00 H new ATOM 0 HZ1 LYS C 38 -16.043 -3.618 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS C 38 -16.347 -2.017 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS C 38 -14.752 -2.597 -11.189 1.00 0.00 H new ATOM 2227 N ASP C 39 -12.216 1.706 -13.404 1.00 0.00 N ATOM 2228 CA ASP C 39 -11.544 1.721 -14.693 1.00 0.00 C ATOM 2229 C ASP C 39 -10.199 0.986 -14.624 1.00 0.00 C ATOM 2230 O ASP C 39 -9.590 0.715 -15.660 1.00 0.00 O ATOM 2231 CB ASP C 39 -11.324 3.179 -15.099 1.00 0.00 C ATOM 2232 CG ASP C 39 -10.871 3.292 -16.553 1.00 0.00 C ATOM 2233 OD1 ASP C 39 -11.613 2.803 -17.431 1.00 0.00 O ATOM 2234 OD2 ASP C 39 -9.783 3.871 -16.775 1.00 0.00 O ATOM 0 H ASP C 39 -12.286 2.629 -12.975 1.00 0.00 H new ATOM 0 HA ASP C 39 -12.162 1.208 -15.430 1.00 0.00 H new ATOM 0 HB2 ASP C 39 -12.248 3.740 -14.960 1.00 0.00 H new ATOM 0 HB3 ASP C 39 -10.576 3.630 -14.447 1.00 0.00 H new ATOM 2239 N VAL C 40 -9.736 0.663 -13.411 1.00 0.00 N ATOM 2240 CA VAL C 40 -8.484 -0.047 -13.187 1.00 0.00 C ATOM 2241 C VAL C 40 -8.678 -1.099 -12.100 1.00 0.00 C ATOM 2242 O VAL C 40 -9.625 -1.022 -11.314 1.00 0.00 O ATOM 2243 CB VAL C 40 -7.356 0.924 -12.809 1.00 0.00 C ATOM 2244 CG1 VAL C 40 -7.211 2.032 -13.851 1.00 0.00 C ATOM 2245 CG2 VAL C 40 -7.598 1.573 -11.447 1.00 0.00 C ATOM 0 H VAL C 40 -10.231 0.893 -12.550 1.00 0.00 H new ATOM 0 HA VAL C 40 -8.194 -0.542 -14.114 1.00 0.00 H new ATOM 0 HB VAL C 40 -6.442 0.331 -12.767 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -6.405 2.704 -13.557 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -6.981 1.591 -14.821 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -8.144 2.592 -13.919 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -6.777 2.253 -11.217 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -8.535 2.130 -11.471 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -7.655 0.800 -10.681 1.00 0.00 H new ATOM 2255 N ALA C 41 -7.782 -2.087 -12.052 1.00 0.00 N ATOM 2256 CA ALA C 41 -7.898 -3.200 -11.126 1.00 0.00 C ATOM 2257 C ALA C 41 -7.009 -2.999 -9.902 1.00 0.00 C ATOM 2258 O ALA C 41 -6.023 -2.266 -9.955 1.00 0.00 O ATOM 2259 CB ALA C 41 -7.499 -4.479 -11.864 1.00 0.00 C ATOM 0 H ALA C 41 -6.960 -2.132 -12.655 1.00 0.00 H new ATOM 0 HA ALA C 41 -8.927 -3.269 -10.772 1.00 0.00 H new ATOM 0 HB1 ALA C 41 -7.579 -5.330 -11.187 1.00 0.00 H new ATOM 0 HB2 ALA C 41 -8.162 -4.630 -12.716 1.00 0.00 H new ATOM 0 HB3 ALA C 41 -6.471 -4.390 -12.216 1.00 0.00 H new ATOM 2265 N VAL C 42 -7.360 -3.656 -8.795 1.00 0.00 N ATOM 2266 CA VAL C 42 -6.527 -3.677 -7.597 1.00 0.00 C ATOM 2267 C VAL C 42 -6.812 -4.950 -6.804 1.00 0.00 C ATOM 2268 O VAL C 42 -7.971 -5.283 -6.570 1.00 0.00 O ATOM 2269 CB VAL C 42 -6.781 -2.412 -6.765 1.00 0.00 C ATOM 2270 CG1 VAL C 42 -8.271 -2.141 -6.544 1.00 0.00 C ATOM 2271 CG2 VAL C 42 -6.120 -2.492 -5.395 1.00 0.00 C ATOM 0 H VAL C 42 -8.227 -4.186 -8.706 1.00 0.00 H new ATOM 0 HA VAL C 42 -5.472 -3.682 -7.872 1.00 0.00 H new ATOM 0 HB VAL C 42 -6.347 -1.600 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL C 42 -8.392 -1.235 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL C 42 -8.764 -2.012 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL C 42 -8.720 -2.983 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL C 42 -6.324 -1.577 -4.839 1.00 0.00 H new ATOM 0 HG22 VAL C 42 -6.519 -3.346 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL C 42 -5.043 -2.610 -5.517 1.00 0.00 H new ATOM 2281 N HIS C 43 -5.760 -5.662 -6.391 1.00 0.00 N ATOM 2282 CA HIS C 43 -5.893 -6.925 -5.669 1.00 0.00 C ATOM 2283 C HIS C 43 -4.639 -7.217 -4.857 1.00 0.00 C ATOM 2284 O HIS C 43 -3.594 -6.612 -5.088 1.00 0.00 O ATOM 2285 CB HIS C 43 -6.059 -8.076 -6.665 1.00 0.00 C ATOM 2286 CG HIS C 43 -7.123 -7.858 -7.703 1.00 0.00 C ATOM 2287 ND1 HIS C 43 -8.478 -8.163 -7.550 1.00 0.00 N ATOM 2288 CD2 HIS C 43 -6.909 -7.332 -8.943 1.00 0.00 C ATOM 2289 CE1 HIS C 43 -9.052 -7.803 -8.712 1.00 0.00 C ATOM 2290 NE2 HIS C 43 -8.138 -7.305 -9.563 1.00 0.00 N ATOM 0 H HIS C 43 -4.793 -5.377 -6.549 1.00 0.00 H new ATOM 0 HA HIS C 43 -6.759 -6.840 -5.013 1.00 0.00 H new ATOM 0 HB2 HIS C 43 -5.107 -8.243 -7.169 1.00 0.00 H new ATOM 0 HB3 HIS C 43 -6.291 -8.986 -6.112 1.00 0.00 H new ATOM 0 HD1 HIS C 43 -8.934 -8.571 -6.733 1.00 0.00 H new ATOM 0 HD2 HIS C 43 -5.966 -7.003 -9.355 1.00 0.00 H new ATOM 0 HE1 HIS C 43 -10.105 -7.901 -8.932 1.00 0.00 H new ATOM 2298 N ARG C 44 -4.730 -8.149 -3.904 1.00 0.00 N ATOM 2299 CA ARG C 44 -3.548 -8.630 -3.205 1.00 0.00 C ATOM 2300 C ARG C 44 -2.770 -9.558 -4.140 1.00 0.00 C ATOM 2301 O ARG C 44 -3.313 -10.027 -5.138 1.00 0.00 O ATOM 2302 CB ARG C 44 -3.954 -9.319 -1.899 1.00 0.00 C ATOM 2303 CG ARG C 44 -4.666 -10.640 -2.167 1.00 0.00 C ATOM 2304 CD ARG C 44 -5.282 -11.186 -0.880 1.00 0.00 C ATOM 2305 NE ARG C 44 -6.738 -11.039 -0.930 1.00 0.00 N ATOM 2306 CZ ARG C 44 -7.601 -12.057 -1.013 1.00 0.00 C ATOM 2307 NH1 ARG C 44 -7.209 -13.326 -0.919 1.00 0.00 N ATOM 2308 NH2 ARG C 44 -8.890 -11.808 -1.197 1.00 0.00 N ATOM 0 H ARG C 44 -5.605 -8.579 -3.605 1.00 0.00 H new ATOM 0 HA ARG C 44 -2.897 -7.799 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG C 44 -3.068 -9.498 -1.289 1.00 0.00 H new ATOM 0 HB3 ARG C 44 -4.607 -8.661 -1.326 1.00 0.00 H new ATOM 0 HG2 ARG C 44 -5.444 -10.495 -2.917 1.00 0.00 H new ATOM 0 HG3 ARG C 44 -3.961 -11.364 -2.575 1.00 0.00 H new ATOM 0 HD2 ARG C 44 -5.017 -12.236 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG C 44 -4.882 -10.651 -0.018 1.00 0.00 H new ATOM 0 HE ARG C 44 -7.121 -10.094 -0.899 1.00 0.00 H new ATOM 0 HH11 ARG C 44 -6.223 -13.546 -0.779 1.00 0.00 H new ATOM 0 HH12 ARG C 44 -7.895 -14.078 -0.987 1.00 0.00 H new ATOM 0 HH21 ARG C 44 -9.217 -10.845 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG C 44 -9.554 -12.579 -1.261 1.00 0.00 H new ATOM 2322 N GLU C 45 -1.505 -9.828 -3.826 1.00 0.00 N ATOM 2323 CA GLU C 45 -0.622 -10.557 -4.729 1.00 0.00 C ATOM 2324 C GLU C 45 -1.072 -12.006 -4.976 1.00 0.00 C ATOM 2325 O GLU C 45 -0.732 -12.571 -6.014 1.00 0.00 O ATOM 2326 CB GLU C 45 0.805 -10.472 -4.169 1.00 0.00 C ATOM 2327 CG GLU C 45 1.876 -10.950 -5.153 1.00 0.00 C ATOM 2328 CD GLU C 45 2.147 -12.456 -5.094 1.00 0.00 C ATOM 2329 OE1 GLU C 45 1.614 -13.126 -4.181 1.00 0.00 O ATOM 2330 OE2 GLU C 45 2.899 -12.926 -5.976 1.00 0.00 O ATOM 0 H GLU C 45 -1.068 -9.550 -2.947 1.00 0.00 H new ATOM 0 HA GLU C 45 -0.659 -10.093 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU C 45 1.016 -9.440 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU C 45 0.866 -11.069 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU C 45 1.569 -10.686 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU C 45 2.805 -10.416 -4.952 1.00 0.00 H new ATOM 2337 N GLU C 46 -1.828 -12.616 -4.053 1.00 0.00 N ATOM 2338 CA GLU C 46 -2.307 -13.986 -4.238 1.00 0.00 C ATOM 2339 C GLU C 46 -3.626 -14.037 -5.014 1.00 0.00 C ATOM 2340 O GLU C 46 -4.121 -15.123 -5.312 1.00 0.00 O ATOM 2341 CB GLU C 46 -2.448 -14.697 -2.888 1.00 0.00 C ATOM 2342 CG GLU C 46 -3.418 -13.980 -1.945 1.00 0.00 C ATOM 2343 CD GLU C 46 -3.689 -14.779 -0.672 1.00 0.00 C ATOM 2344 OE1 GLU C 46 -2.771 -15.502 -0.222 1.00 0.00 O ATOM 2345 OE2 GLU C 46 -4.823 -14.656 -0.153 1.00 0.00 O ATOM 0 H GLU C 46 -2.118 -12.182 -3.176 1.00 0.00 H new ATOM 0 HA GLU C 46 -1.560 -14.510 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU C 46 -2.794 -15.717 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU C 46 -1.469 -14.766 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU C 46 -3.008 -13.006 -1.679 1.00 0.00 H new ATOM 0 HG3 GLU C 46 -4.359 -13.799 -2.465 1.00 0.00 H new ATOM 2352 N ILE C 47 -4.198 -12.875 -5.345 1.00 0.00 N ATOM 2353 CA ILE C 47 -5.428 -12.785 -6.123 1.00 0.00 C ATOM 2354 C ILE C 47 -5.134 -12.180 -7.489 1.00 0.00 C ATOM 2355 O ILE C 47 -5.775 -12.549 -8.469 1.00 0.00 O ATOM 2356 CB ILE C 47 -6.451 -11.947 -5.355 1.00 0.00 C ATOM 2357 CG1 ILE C 47 -6.923 -12.680 -4.093 1.00 0.00 C ATOM 2358 CG2 ILE C 47 -7.660 -11.616 -6.227 1.00 0.00 C ATOM 2359 CD1 ILE C 47 -7.489 -14.078 -4.365 1.00 0.00 C ATOM 0 H ILE C 47 -3.815 -11.968 -5.077 1.00 0.00 H new ATOM 0 HA ILE C 47 -5.842 -13.781 -6.279 1.00 0.00 H new ATOM 0 HB ILE C 47 -5.957 -11.019 -5.068 1.00 0.00 H new ATOM 0 HG12 ILE C 47 -6.086 -12.766 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE C 47 -7.686 -12.079 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE C 47 -8.370 -11.020 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE C 47 -7.335 -11.052 -7.101 1.00 0.00 H new ATOM 0 HG23 ILE C 47 -8.140 -12.540 -6.550 1.00 0.00 H new ATOM 0 HD11 ILE C 47 -7.802 -14.533 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE C 47 -8.347 -14.000 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE C 47 -6.722 -14.697 -4.830 1.00 0.00 H new ATOM 2371 N TYR C 48 -4.173 -11.257 -7.572 1.00 0.00 N ATOM 2372 CA TYR C 48 -3.825 -10.635 -8.839 1.00 0.00 C ATOM 2373 C TYR C 48 -3.455 -11.687 -9.880 1.00 0.00 C ATOM 2374 O TYR C 48 -3.819 -11.555 -11.048 1.00 0.00 O ATOM 2375 CB TYR C 48 -2.658 -9.676 -8.621 1.00 0.00 C ATOM 2376 CG TYR C 48 -1.991 -9.262 -9.912 1.00 0.00 C ATOM 2377 CD1 TYR C 48 -2.753 -8.769 -10.977 1.00 0.00 C ATOM 2378 CD2 TYR C 48 -0.600 -9.393 -10.043 1.00 0.00 C ATOM 2379 CE1 TYR C 48 -2.133 -8.434 -12.192 1.00 0.00 C ATOM 2380 CE2 TYR C 48 0.027 -9.047 -11.245 1.00 0.00 C ATOM 2381 CZ TYR C 48 -0.737 -8.570 -12.329 1.00 0.00 C ATOM 2382 OH TYR C 48 -0.129 -8.243 -13.504 1.00 0.00 O ATOM 0 H TYR C 48 -3.627 -10.929 -6.776 1.00 0.00 H new ATOM 0 HA TYR C 48 -4.689 -10.085 -9.212 1.00 0.00 H new ATOM 0 HB2 TYR C 48 -3.016 -8.787 -8.101 1.00 0.00 H new ATOM 0 HB3 TYR C 48 -1.921 -10.149 -7.972 1.00 0.00 H new ATOM 0 HD1 TYR C 48 -3.820 -8.646 -10.865 1.00 0.00 H new ATOM 0 HD2 TYR C 48 -0.013 -9.761 -9.215 1.00 0.00 H new ATOM 0 HE1 TYR C 48 -2.725 -8.073 -13.020 1.00 0.00 H new ATOM 0 HE2 TYR C 48 1.098 -9.146 -11.342 1.00 0.00 H new ATOM 0 HH TYR C 48 0.836 -8.395 -13.427 1.00 0.00 H new ATOM 2392 N GLN C 49 -2.734 -12.728 -9.459 1.00 0.00 N ATOM 2393 CA GLN C 49 -2.304 -13.784 -10.367 1.00 0.00 C ATOM 2394 C GLN C 49 -3.503 -14.525 -10.948 1.00 0.00 C ATOM 2395 O GLN C 49 -3.385 -15.170 -11.991 1.00 0.00 O ATOM 2396 CB GLN C 49 -1.408 -14.771 -9.618 1.00 0.00 C ATOM 2397 CG GLN C 49 -0.146 -14.088 -9.097 1.00 0.00 C ATOM 2398 CD GLN C 49 0.690 -15.067 -8.283 1.00 0.00 C ATOM 2399 OE1 GLN C 49 1.251 -16.016 -8.824 1.00 0.00 O ATOM 2400 NE2 GLN C 49 0.782 -14.844 -6.976 1.00 0.00 N ATOM 0 H GLN C 49 -2.437 -12.859 -8.492 1.00 0.00 H new ATOM 0 HA GLN C 49 -1.749 -13.328 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN C 49 -1.959 -15.206 -8.784 1.00 0.00 H new ATOM 0 HB3 GLN C 49 -1.133 -15.591 -10.281 1.00 0.00 H new ATOM 0 HG2 GLN C 49 0.440 -13.707 -9.933 1.00 0.00 H new ATOM 0 HG3 GLN C 49 -0.417 -13.231 -8.480 1.00 0.00 H new ATOM 0 HE21 GLN C 49 0.303 -14.046 -6.560 1.00 0.00 H new ATOM 0 HE22 GLN C 49 1.332 -15.471 -6.389 1.00 0.00 H new ATOM 2409 N ARG C 50 -4.662 -14.442 -10.286 1.00 0.00 N ATOM 2410 CA ARG C 50 -5.855 -15.155 -10.702 1.00 0.00 C ATOM 2411 C ARG C 50 -6.657 -14.363 -11.726 1.00 0.00 C ATOM 2412 O ARG C 50 -7.230 -14.966 -12.629 1.00 0.00 O ATOM 2413 CB ARG C 50 -6.696 -15.474 -9.466 1.00 0.00 C ATOM 2414 CG ARG C 50 -7.881 -16.356 -9.846 1.00 0.00 C ATOM 2415 CD ARG C 50 -8.627 -16.750 -8.580 1.00 0.00 C ATOM 2416 NE ARG C 50 -7.871 -17.724 -7.785 1.00 0.00 N ATOM 2417 CZ ARG C 50 -7.873 -19.042 -8.008 1.00 0.00 C ATOM 2418 NH1 ARG C 50 -8.604 -19.571 -8.988 1.00 0.00 N ATOM 2419 NH2 ARG C 50 -7.141 -19.844 -7.242 1.00 0.00 N ATOM 0 H ARG C 50 -4.790 -13.876 -9.447 1.00 0.00 H new ATOM 0 HA ARG C 50 -5.561 -16.084 -11.191 1.00 0.00 H new ATOM 0 HB2 ARG C 50 -6.082 -15.979 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG C 50 -7.053 -14.550 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG C 50 -8.546 -15.822 -10.525 1.00 0.00 H new ATOM 0 HG3 ARG C 50 -7.535 -17.246 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG C 50 -8.819 -15.861 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG C 50 -9.597 -17.171 -8.845 1.00 0.00 H new ATOM 0 HE ARG C 50 -7.307 -17.372 -7.011 1.00 0.00 H new ATOM 0 HH11 ARG C 50 -9.174 -18.968 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG C 50 -8.594 -20.579 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG C 50 -6.579 -19.454 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG C 50 -7.141 -20.850 -7.410 1.00 0.00 H new ATOM 2433 N ILE C 51 -6.706 -13.033 -11.612 1.00 0.00 N ATOM 2434 CA ILE C 51 -7.406 -12.216 -12.598 1.00 0.00 C ATOM 2435 C ILE C 51 -6.738 -12.392 -13.967 1.00 0.00 C ATOM 2436 O ILE C 51 -7.335 -12.092 -14.999 1.00 0.00 O ATOM 2437 CB ILE C 51 -7.453 -10.741 -12.162 1.00 0.00 C ATOM 2438 CG1 ILE C 51 -8.460 -10.524 -11.023 1.00 0.00 C ATOM 2439 CG2 ILE C 51 -7.919 -9.826 -13.297 1.00 0.00 C ATOM 2440 CD1 ILE C 51 -7.974 -11.079 -9.687 1.00 0.00 C ATOM 0 H ILE C 51 -6.273 -12.506 -10.854 1.00 0.00 H new ATOM 0 HA ILE C 51 -8.441 -12.548 -12.675 1.00 0.00 H new ATOM 0 HB ILE C 51 -6.436 -10.501 -11.852 1.00 0.00 H new ATOM 0 HG12 ILE C 51 -8.657 -9.457 -10.917 1.00 0.00 H new ATOM 0 HG13 ILE C 51 -9.406 -10.998 -11.285 1.00 0.00 H new ATOM 0 HG21 ILE C 51 -7.938 -8.794 -12.948 1.00 0.00 H new ATOM 0 HG22 ILE C 51 -7.232 -9.911 -14.139 1.00 0.00 H new ATOM 0 HG23 ILE C 51 -8.919 -10.120 -13.614 1.00 0.00 H new ATOM 0 HD11 ILE C 51 -8.728 -10.896 -8.921 1.00 0.00 H new ATOM 0 HD12 ILE C 51 -7.803 -12.152 -9.779 1.00 0.00 H new ATOM 0 HD13 ILE C 51 -7.043 -10.586 -9.405 1.00 0.00 H new