USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 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 23 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.274) USER MOD Set 1.2: A 27 MET CE :methyl -168:sc= -0.177 (180deg=-0.567) USER MOD Set 2.1: A 24 MET CE :methyl 140:sc= -0.0616 (180deg=-0.654) USER MOD Set 2.2: A 53 GLN : amide:sc= 0.177 X(o=0.12,f=-0.2) USER MOD Set 3.1: A 9 ASN : amide:sc= 0 X(o=-2.9,f=-3.4) USER MOD Set 3.2: A 12 LYS NZ :NH3+ 173:sc= -2.87! (180deg=-3.32!) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.129 (180deg=-0.629) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0301 (180deg=-0.097) USER MOD Single : A 2 SER OG : rot 50:sc= 0.0891 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00609) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc=-0.00176 (180deg=-0.0378) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.3) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= -1.3 USER MOD Single : A 37 GLN : amide:sc= 0.125 K(o=0.13,f=-4.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.742 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc=0.000927 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.044) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HE2:sc= 0.412 K(o=0.41,f=-1.3) USER MOD Single : A 76 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.4) USER MOD Single : A 82 ASN : amide:sc= 0.328 K(o=0.33,f=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.102 -0.060 -4.881 1.00 0.00 N ATOM 2 CA MET A 1 -2.331 1.025 -5.547 1.00 0.00 C ATOM 3 C MET A 1 -0.817 0.786 -5.381 1.00 0.00 C ATOM 4 O MET A 1 -0.376 0.201 -4.382 1.00 0.00 O ATOM 5 CB MET A 1 -2.752 2.414 -4.985 1.00 0.00 C ATOM 6 CG MET A 1 -2.428 2.637 -3.500 1.00 0.00 C ATOM 7 SD MET A 1 -3.247 4.094 -2.816 1.00 0.00 S ATOM 8 CE MET A 1 -4.975 3.607 -2.882 1.00 0.00 C ATOM 0 H1 MET A 1 -3.957 0.339 -4.444 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.374 -0.775 -5.585 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.514 -0.504 -4.147 1.00 0.00 H new ATOM 0 HA MET A 1 -2.556 1.015 -6.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.259 3.191 -5.570 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.825 2.538 -5.130 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.728 1.757 -2.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.350 2.742 -3.380 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.553 4.222 -2.192 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.353 3.745 -3.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.069 2.558 -2.599 1.00 0.00 H new ATOM 18 N SER A 2 -0.027 1.244 -6.371 1.00 0.00 N ATOM 19 CA SER A 2 1.433 1.053 -6.409 1.00 0.00 C ATOM 20 C SER A 2 2.126 2.349 -6.887 1.00 0.00 C ATOM 21 O SER A 2 2.559 2.478 -8.043 1.00 0.00 O ATOM 22 CB SER A 2 1.774 -0.168 -7.305 1.00 0.00 C ATOM 23 OG SER A 2 1.171 -0.056 -8.589 1.00 0.00 O ATOM 0 H SER A 2 -0.389 1.761 -7.173 1.00 0.00 H new ATOM 0 HA SER A 2 1.809 0.842 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.855 -0.249 -7.415 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.433 -1.083 -6.820 1.00 0.00 H new ATOM 0 HG SER A 2 1.365 0.828 -8.966 1.00 0.00 H new ATOM 29 N LYS A 3 2.167 3.338 -5.980 1.00 0.00 N ATOM 30 CA LYS A 3 2.821 4.635 -6.216 1.00 0.00 C ATOM 31 C LYS A 3 4.285 4.556 -5.740 1.00 0.00 C ATOM 32 O LYS A 3 4.552 4.097 -4.622 1.00 0.00 O ATOM 33 CB LYS A 3 2.033 5.749 -5.472 1.00 0.00 C ATOM 34 CG LYS A 3 2.645 7.165 -5.575 1.00 0.00 C ATOM 35 CD LYS A 3 1.799 8.266 -4.874 1.00 0.00 C ATOM 36 CE LYS A 3 1.528 7.973 -3.384 1.00 0.00 C ATOM 37 NZ LYS A 3 2.777 7.796 -2.599 1.00 0.00 N ATOM 0 H LYS A 3 1.744 3.259 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 3 2.823 4.877 -7.279 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.017 5.779 -5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.958 5.478 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.643 7.152 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.762 7.425 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.316 9.222 -4.961 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.847 8.370 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.948 8.791 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.920 7.072 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.540 7.652 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.296 6.968 -2.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.371 8.644 -2.696 1.00 0.00 H new ATOM 51 N THR A 4 5.228 5.001 -6.590 1.00 0.00 N ATOM 52 CA THR A 4 6.682 4.906 -6.320 1.00 0.00 C ATOM 53 C THR A 4 7.411 6.197 -6.727 1.00 0.00 C ATOM 54 O THR A 4 6.806 7.115 -7.304 1.00 0.00 O ATOM 55 CB THR A 4 7.318 3.678 -7.077 1.00 0.00 C ATOM 56 OG1 THR A 4 6.829 3.629 -8.425 1.00 0.00 O ATOM 57 CG2 THR A 4 7.031 2.339 -6.382 1.00 0.00 C ATOM 0 H THR A 4 5.008 5.438 -7.485 1.00 0.00 H new ATOM 0 HA THR A 4 6.802 4.761 -5.246 1.00 0.00 H new ATOM 0 HB THR A 4 8.398 3.825 -7.069 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.229 2.865 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.493 1.529 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.442 2.358 -5.373 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.954 2.178 -6.332 1.00 0.00 H new ATOM 65 N ALA A 5 8.718 6.242 -6.385 1.00 0.00 N ATOM 66 CA ALA A 5 9.663 7.317 -6.764 1.00 0.00 C ATOM 67 C ALA A 5 9.337 8.678 -6.100 1.00 0.00 C ATOM 68 O ALA A 5 8.315 8.836 -5.418 1.00 0.00 O ATOM 69 CB ALA A 5 9.803 7.428 -8.292 1.00 0.00 C ATOM 0 H ALA A 5 9.157 5.513 -5.823 1.00 0.00 H new ATOM 0 HA ALA A 5 10.636 7.028 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.504 8.226 -8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.174 6.485 -8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.831 7.652 -8.731 1.00 0.00 H new ATOM 75 N LYS A 6 10.231 9.667 -6.318 1.00 0.00 N ATOM 76 CA LYS A 6 10.255 10.921 -5.537 1.00 0.00 C ATOM 77 C LYS A 6 9.741 12.130 -6.347 1.00 0.00 C ATOM 78 O LYS A 6 10.036 12.275 -7.539 1.00 0.00 O ATOM 79 CB LYS A 6 11.688 11.205 -4.998 1.00 0.00 C ATOM 80 CG LYS A 6 12.254 10.135 -4.016 1.00 0.00 C ATOM 81 CD LYS A 6 12.838 8.886 -4.726 1.00 0.00 C ATOM 82 CE LYS A 6 13.315 7.805 -3.740 1.00 0.00 C ATOM 83 NZ LYS A 6 14.371 8.304 -2.820 1.00 0.00 N ATOM 0 H LYS A 6 10.953 9.618 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 6 9.576 10.782 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.367 11.291 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.684 12.171 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.032 10.591 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.460 9.819 -3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.080 8.461 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.674 9.190 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.466 7.450 -3.156 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.697 6.951 -4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.719 7.519 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.158 8.697 -3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.976 9.045 -2.207 1.00 0.00 H new ATOM 97 N LEU A 7 8.957 12.983 -5.661 1.00 0.00 N ATOM 98 CA LEU A 7 8.425 14.246 -6.203 1.00 0.00 C ATOM 99 C LEU A 7 9.540 15.311 -6.232 1.00 0.00 C ATOM 100 O LEU A 7 9.885 15.879 -5.190 1.00 0.00 O ATOM 101 CB LEU A 7 7.231 14.720 -5.311 1.00 0.00 C ATOM 102 CG LEU A 7 6.582 16.106 -5.659 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.847 16.063 -7.001 1.00 0.00 C ATOM 104 CD2 LEU A 7 5.643 16.596 -4.526 1.00 0.00 C ATOM 0 H LEU A 7 8.671 12.810 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 7 8.070 14.094 -7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.451 13.960 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.576 14.758 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 7 7.395 16.826 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.411 17.040 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.550 15.804 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.056 15.314 -6.959 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.212 17.558 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.844 15.870 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.212 16.705 -3.603 1.00 0.00 H new ATOM 116 N ASN A 8 10.134 15.543 -7.416 1.00 0.00 N ATOM 117 CA ASN A 8 11.202 16.548 -7.593 1.00 0.00 C ATOM 118 C ASN A 8 10.727 17.662 -8.547 1.00 0.00 C ATOM 119 O ASN A 8 10.211 17.366 -9.637 1.00 0.00 O ATOM 120 CB ASN A 8 12.499 15.888 -8.134 1.00 0.00 C ATOM 121 CG ASN A 8 13.686 16.863 -8.213 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.813 17.774 -7.394 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.557 16.684 -9.197 1.00 0.00 N ATOM 0 H ASN A 8 9.891 15.044 -8.272 1.00 0.00 H new ATOM 0 HA ASN A 8 11.427 16.987 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.768 15.049 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.305 15.480 -9.126 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.357 17.310 -9.290 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.427 15.921 -9.861 1.00 0.00 H new ATOM 130 N ASN A 9 10.942 18.930 -8.114 1.00 0.00 N ATOM 131 CA ASN A 9 10.473 20.160 -8.798 1.00 0.00 C ATOM 132 C ASN A 9 8.962 20.070 -9.063 1.00 0.00 C ATOM 133 O ASN A 9 8.541 19.729 -10.185 1.00 0.00 O ATOM 134 CB ASN A 9 11.241 20.457 -10.118 1.00 0.00 C ATOM 135 CG ASN A 9 12.761 20.472 -9.979 1.00 0.00 C ATOM 136 OD1 ASN A 9 13.413 19.436 -10.103 1.00 0.00 O ATOM 137 ND2 ASN A 9 13.336 21.642 -9.756 1.00 0.00 N ATOM 0 H ASN A 9 11.459 19.129 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 9 10.681 20.994 -8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 9 10.965 19.708 -10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.915 21.423 -10.503 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.351 21.705 -9.682 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.764 22.481 -9.658 1.00 0.00 H new ATOM 144 N GLU A 10 8.168 20.331 -8.004 1.00 0.00 N ATOM 145 CA GLU A 10 6.691 20.216 -8.020 1.00 0.00 C ATOM 146 C GLU A 10 6.067 20.969 -9.207 1.00 0.00 C ATOM 147 O GLU A 10 5.110 20.488 -9.812 1.00 0.00 O ATOM 148 CB GLU A 10 6.107 20.755 -6.686 1.00 0.00 C ATOM 149 CG GLU A 10 4.576 20.630 -6.553 1.00 0.00 C ATOM 150 CD GLU A 10 4.020 21.213 -5.252 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.981 20.494 -4.233 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.626 22.397 -5.239 1.00 0.00 O ATOM 0 H GLU A 10 8.537 20.631 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 10 6.443 19.161 -8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.574 20.221 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.382 21.805 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.105 21.134 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.300 19.577 -6.616 1.00 0.00 H new ATOM 159 N GLU A 11 6.684 22.109 -9.552 1.00 0.00 N ATOM 160 CA GLU A 11 6.224 23.039 -10.603 1.00 0.00 C ATOM 161 C GLU A 11 5.966 22.322 -11.939 1.00 0.00 C ATOM 162 O GLU A 11 4.972 22.592 -12.609 1.00 0.00 O ATOM 163 CB GLU A 11 7.271 24.168 -10.813 1.00 0.00 C ATOM 164 CG GLU A 11 7.479 25.122 -9.611 1.00 0.00 C ATOM 165 CD GLU A 11 8.156 24.469 -8.388 1.00 0.00 C ATOM 166 OE1 GLU A 11 9.338 24.075 -8.499 1.00 0.00 O ATOM 167 OE2 GLU A 11 7.505 24.315 -7.322 1.00 0.00 O ATOM 0 H GLU A 11 7.542 22.421 -9.097 1.00 0.00 H new ATOM 0 HA GLU A 11 5.280 23.466 -10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.229 23.709 -11.059 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.970 24.761 -11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.083 25.969 -9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.511 25.519 -9.306 1.00 0.00 H new ATOM 174 N LYS A 12 6.865 21.386 -12.281 1.00 0.00 N ATOM 175 CA LYS A 12 6.803 20.620 -13.543 1.00 0.00 C ATOM 176 C LYS A 12 5.536 19.753 -13.591 1.00 0.00 C ATOM 177 O LYS A 12 4.865 19.652 -14.625 1.00 0.00 O ATOM 178 CB LYS A 12 8.078 19.739 -13.704 1.00 0.00 C ATOM 179 CG LYS A 12 9.408 20.505 -13.483 1.00 0.00 C ATOM 180 CD LYS A 12 10.656 19.811 -14.088 1.00 0.00 C ATOM 181 CE LYS A 12 10.816 18.333 -13.686 1.00 0.00 C ATOM 182 NZ LYS A 12 10.933 18.119 -12.222 1.00 0.00 N ATOM 0 H LYS A 12 7.659 21.136 -11.691 1.00 0.00 H new ATOM 0 HA LYS A 12 6.762 21.325 -14.373 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.026 18.911 -12.997 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.083 19.305 -14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.316 21.501 -13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.564 20.636 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.603 19.876 -15.175 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.547 20.358 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.960 17.770 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.702 17.927 -14.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.918 17.099 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.827 18.527 -11.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.136 18.580 -11.739 1.00 0.00 H new ATOM 196 N LEU A 13 5.206 19.171 -12.429 1.00 0.00 N ATOM 197 CA LEU A 13 4.062 18.267 -12.268 1.00 0.00 C ATOM 198 C LEU A 13 2.735 19.042 -12.187 1.00 0.00 C ATOM 199 O LEU A 13 1.691 18.538 -12.608 1.00 0.00 O ATOM 200 CB LEU A 13 4.250 17.388 -11.010 1.00 0.00 C ATOM 201 CG LEU A 13 5.485 16.424 -11.043 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.776 17.076 -10.504 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.182 15.095 -10.333 1.00 0.00 C ATOM 0 H LEU A 13 5.732 19.317 -11.567 1.00 0.00 H new ATOM 0 HA LEU A 13 4.016 17.626 -13.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.343 18.041 -10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.349 16.792 -10.866 1.00 0.00 H new ATOM 0 HG LEU A 13 5.673 16.206 -12.094 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.594 16.358 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.022 17.949 -11.108 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.624 17.382 -9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.061 14.451 -10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.924 15.289 -9.292 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.346 14.601 -10.828 1.00 0.00 H new ATOM 215 N VAL A 14 2.794 20.259 -11.631 1.00 0.00 N ATOM 216 CA VAL A 14 1.632 21.161 -11.543 1.00 0.00 C ATOM 217 C VAL A 14 1.203 21.583 -12.951 1.00 0.00 C ATOM 218 O VAL A 14 0.050 21.387 -13.325 1.00 0.00 O ATOM 219 CB VAL A 14 1.943 22.432 -10.671 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.744 23.420 -10.633 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.361 22.013 -9.251 1.00 0.00 C ATOM 0 H VAL A 14 3.647 20.648 -11.229 1.00 0.00 H new ATOM 0 HA VAL A 14 0.821 20.619 -11.055 1.00 0.00 H new ATOM 0 HB VAL A 14 2.773 22.961 -11.139 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.003 24.283 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.513 23.751 -11.646 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.126 22.920 -10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.574 22.902 -8.657 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.552 21.450 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.254 21.390 -9.304 1.00 0.00 H new ATOM 231 N LYS A 15 2.168 22.120 -13.725 1.00 0.00 N ATOM 232 CA LYS A 15 1.947 22.573 -15.115 1.00 0.00 C ATOM 233 C LYS A 15 1.473 21.402 -15.993 1.00 0.00 C ATOM 234 O LYS A 15 0.569 21.563 -16.811 1.00 0.00 O ATOM 235 CB LYS A 15 3.249 23.189 -15.693 1.00 0.00 C ATOM 236 CG LYS A 15 3.786 24.397 -14.890 1.00 0.00 C ATOM 237 CD LYS A 15 5.201 24.834 -15.337 1.00 0.00 C ATOM 238 CE LYS A 15 5.845 25.834 -14.358 1.00 0.00 C ATOM 239 NZ LYS A 15 7.241 26.172 -14.739 1.00 0.00 N ATOM 0 H LYS A 15 3.127 22.252 -13.403 1.00 0.00 H new ATOM 0 HA LYS A 15 1.171 23.338 -15.112 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.019 22.418 -15.728 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.065 23.502 -16.721 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.099 25.236 -15.002 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.807 24.142 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.839 23.954 -15.425 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.143 25.286 -16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.248 26.745 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.836 25.413 -13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.634 26.847 -14.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.819 25.307 -14.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.248 26.598 -15.688 1.00 0.00 H new ATOM 253 N LYS A 16 2.082 20.221 -15.772 1.00 0.00 N ATOM 254 CA LYS A 16 1.688 18.968 -16.448 1.00 0.00 C ATOM 255 C LYS A 16 0.230 18.598 -16.124 1.00 0.00 C ATOM 256 O LYS A 16 -0.509 18.186 -17.004 1.00 0.00 O ATOM 257 CB LYS A 16 2.627 17.815 -16.022 1.00 0.00 C ATOM 258 CG LYS A 16 2.336 16.436 -16.656 1.00 0.00 C ATOM 259 CD LYS A 16 2.501 16.421 -18.185 1.00 0.00 C ATOM 260 CE LYS A 16 2.329 15.017 -18.782 1.00 0.00 C ATOM 261 NZ LYS A 16 2.504 15.025 -20.256 1.00 0.00 N ATOM 0 H LYS A 16 2.859 20.108 -15.121 1.00 0.00 H new ATOM 0 HA LYS A 16 1.772 19.125 -17.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.651 18.097 -16.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.576 17.713 -14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.004 15.695 -16.218 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.319 16.136 -16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.770 17.094 -18.633 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.488 16.804 -18.444 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.054 14.339 -18.333 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.339 14.635 -18.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.381 14.061 -20.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.796 15.653 -20.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.458 15.367 -20.490 1.00 0.00 H new ATOM 275 N ALA A 17 -0.163 18.769 -14.854 1.00 0.00 N ATOM 276 CA ALA A 17 -1.528 18.464 -14.385 1.00 0.00 C ATOM 277 C ALA A 17 -2.532 19.510 -14.894 1.00 0.00 C ATOM 278 O ALA A 17 -3.724 19.227 -14.994 1.00 0.00 O ATOM 279 CB ALA A 17 -1.566 18.366 -12.857 1.00 0.00 C ATOM 0 H ALA A 17 0.453 19.122 -14.122 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.818 17.496 -14.794 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.582 18.140 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.895 17.573 -12.526 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.249 19.314 -12.424 1.00 0.00 H new ATOM 285 N LEU A 18 -2.038 20.727 -15.204 1.00 0.00 N ATOM 286 CA LEU A 18 -2.854 21.772 -15.847 1.00 0.00 C ATOM 287 C LEU A 18 -3.129 21.384 -17.300 1.00 0.00 C ATOM 288 O LEU A 18 -4.213 21.636 -17.823 1.00 0.00 O ATOM 289 CB LEU A 18 -2.169 23.169 -15.800 1.00 0.00 C ATOM 290 CG LEU A 18 -1.749 23.695 -14.397 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.217 25.143 -14.460 1.00 0.00 C ATOM 292 CD2 LEU A 18 -2.893 23.551 -13.380 1.00 0.00 C ATOM 0 H LEU A 18 -1.075 21.008 -15.018 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.789 21.847 -15.291 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.280 23.133 -16.430 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.847 23.896 -16.247 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.925 23.072 -14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.935 25.471 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.346 25.182 -15.114 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.994 25.799 -14.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.567 23.927 -12.410 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.756 24.123 -13.720 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.168 22.500 -13.288 1.00 0.00 H new ATOM 304 N GLU A 19 -2.115 20.776 -17.944 1.00 0.00 N ATOM 305 CA GLU A 19 -2.229 20.284 -19.321 1.00 0.00 C ATOM 306 C GLU A 19 -3.204 19.100 -19.387 1.00 0.00 C ATOM 307 O GLU A 19 -4.181 19.150 -20.126 1.00 0.00 O ATOM 308 CB GLU A 19 -0.840 19.878 -19.887 1.00 0.00 C ATOM 309 CG GLU A 19 0.204 21.012 -19.903 1.00 0.00 C ATOM 310 CD GLU A 19 1.535 20.603 -20.552 1.00 0.00 C ATOM 311 OE1 GLU A 19 2.407 20.039 -19.852 1.00 0.00 O ATOM 312 OE2 GLU A 19 1.711 20.839 -21.769 1.00 0.00 O ATOM 0 H GLU A 19 -1.200 20.615 -17.523 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.620 21.093 -19.938 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.449 19.051 -19.295 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.971 19.508 -20.904 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.207 21.867 -20.440 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.392 21.338 -18.880 1.00 0.00 H new ATOM 319 N ILE A 20 -2.946 18.068 -18.564 1.00 0.00 N ATOM 320 CA ILE A 20 -3.719 16.820 -18.567 1.00 0.00 C ATOM 321 C ILE A 20 -5.124 17.073 -18.018 1.00 0.00 C ATOM 322 O ILE A 20 -6.095 16.839 -18.718 1.00 0.00 O ATOM 323 CB ILE A 20 -3.006 15.668 -17.753 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.550 15.433 -18.271 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.819 14.345 -17.799 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.434 15.093 -19.752 1.00 0.00 C ATOM 0 H ILE A 20 -2.192 18.079 -17.877 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.789 16.482 -19.601 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.955 15.992 -16.714 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.962 16.330 -18.074 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.102 14.625 -17.693 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.297 13.577 -17.228 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.806 14.509 -17.367 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.925 14.019 -18.834 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.385 14.949 -20.011 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.988 14.177 -19.960 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.846 15.909 -20.346 1.00 0.00 H new ATOM 338 N GLY A 21 -5.209 17.601 -16.789 1.00 0.00 N ATOM 339 CA GLY A 21 -6.496 17.882 -16.137 1.00 0.00 C ATOM 340 C GLY A 21 -7.297 18.962 -16.864 1.00 0.00 C ATOM 341 O GLY A 21 -8.534 18.958 -16.825 1.00 0.00 O ATOM 0 H GLY A 21 -4.396 17.844 -16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.085 16.966 -16.092 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.318 18.197 -15.109 1.00 0.00 H new ATOM 345 N GLY A 22 -6.571 19.890 -17.528 1.00 0.00 N ATOM 346 CA GLY A 22 -7.187 20.921 -18.364 1.00 0.00 C ATOM 347 C GLY A 22 -7.884 20.340 -19.591 1.00 0.00 C ATOM 348 O GLY A 22 -9.067 20.621 -19.817 1.00 0.00 O ATOM 0 H GLY A 22 -5.553 19.938 -17.494 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.910 21.481 -17.771 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.422 21.628 -18.685 1.00 0.00 H new ATOM 352 N LYS A 23 -7.152 19.507 -20.373 1.00 0.00 N ATOM 353 CA LYS A 23 -7.706 18.883 -21.602 1.00 0.00 C ATOM 354 C LYS A 23 -8.746 17.809 -21.252 1.00 0.00 C ATOM 355 O LYS A 23 -9.681 17.605 -22.002 1.00 0.00 O ATOM 356 CB LYS A 23 -6.592 18.332 -22.568 1.00 0.00 C ATOM 357 CG LYS A 23 -5.624 17.231 -22.030 1.00 0.00 C ATOM 358 CD LYS A 23 -6.191 15.794 -22.028 1.00 0.00 C ATOM 359 CE LYS A 23 -5.205 14.772 -21.435 1.00 0.00 C ATOM 360 NZ LYS A 23 -5.817 13.427 -21.286 1.00 0.00 N ATOM 0 H LYS A 23 -6.184 19.253 -20.177 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.212 19.673 -22.156 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.087 17.935 -23.454 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.986 19.178 -22.893 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.715 17.244 -22.632 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.335 17.491 -21.012 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.118 15.774 -21.456 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.440 15.504 -23.049 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.327 14.701 -22.077 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.861 15.123 -20.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.261 12.866 -20.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.791 13.526 -20.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.827 12.946 -22.208 1.00 0.00 H new ATOM 374 N MET A 24 -8.562 17.147 -20.101 1.00 0.00 N ATOM 375 CA MET A 24 -9.503 16.132 -19.583 1.00 0.00 C ATOM 376 C MET A 24 -10.867 16.783 -19.319 1.00 0.00 C ATOM 377 O MET A 24 -11.871 16.350 -19.880 1.00 0.00 O ATOM 378 CB MET A 24 -8.957 15.462 -18.286 1.00 0.00 C ATOM 379 CG MET A 24 -7.924 14.348 -18.499 1.00 0.00 C ATOM 380 SD MET A 24 -7.170 13.781 -16.951 1.00 0.00 S ATOM 381 CE MET A 24 -8.583 13.218 -16.003 1.00 0.00 C ATOM 0 H MET A 24 -7.754 17.298 -19.497 1.00 0.00 H new ATOM 0 HA MET A 24 -9.616 15.350 -20.334 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.508 16.234 -17.661 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.799 15.050 -17.729 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.404 13.504 -18.994 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.142 14.707 -19.168 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.323 12.303 -15.472 1.00 0.00 H new ATOM 0 HE2 MET A 24 -8.868 13.986 -15.284 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.418 13.022 -16.676 1.00 0.00 H new ATOM 391 N ALA A 25 -10.864 17.858 -18.499 1.00 0.00 N ATOM 392 CA ALA A 25 -12.070 18.656 -18.190 1.00 0.00 C ATOM 393 C ALA A 25 -12.725 19.173 -19.475 1.00 0.00 C ATOM 394 O ALA A 25 -13.937 19.055 -19.667 1.00 0.00 O ATOM 395 CB ALA A 25 -11.716 19.833 -17.259 1.00 0.00 C ATOM 0 H ALA A 25 -10.023 18.197 -18.032 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.782 18.009 -17.678 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.616 20.409 -17.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.299 19.448 -16.328 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.983 20.475 -17.747 1.00 0.00 H new ATOM 401 N LYS A 26 -11.880 19.699 -20.360 1.00 0.00 N ATOM 402 CA LYS A 26 -12.302 20.307 -21.621 1.00 0.00 C ATOM 403 C LYS A 26 -13.081 19.297 -22.495 1.00 0.00 C ATOM 404 O LYS A 26 -14.195 19.594 -22.950 1.00 0.00 O ATOM 405 CB LYS A 26 -11.054 20.881 -22.336 1.00 0.00 C ATOM 406 CG LYS A 26 -11.321 21.653 -23.642 1.00 0.00 C ATOM 407 CD LYS A 26 -10.083 22.455 -24.127 1.00 0.00 C ATOM 408 CE LYS A 26 -8.814 21.595 -24.293 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.988 20.507 -25.290 1.00 0.00 N ATOM 0 H LYS A 26 -10.870 19.715 -20.220 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.995 21.126 -21.428 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.536 21.545 -21.644 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.375 20.057 -22.556 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.621 20.951 -24.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.156 22.337 -23.491 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.318 22.928 -25.081 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.878 23.256 -23.416 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.984 22.233 -24.598 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.545 21.161 -23.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.107 19.959 -25.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.761 19.880 -24.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.218 20.919 -26.217 1.00 0.00 H new ATOM 423 N MET A 27 -12.510 18.088 -22.634 1.00 0.00 N ATOM 424 CA MET A 27 -13.122 16.958 -23.372 1.00 0.00 C ATOM 425 C MET A 27 -14.376 16.401 -22.663 1.00 0.00 C ATOM 426 O MET A 27 -15.267 15.850 -23.325 1.00 0.00 O ATOM 427 CB MET A 27 -12.097 15.814 -23.557 1.00 0.00 C ATOM 428 CG MET A 27 -10.904 16.150 -24.469 1.00 0.00 C ATOM 429 SD MET A 27 -9.813 14.736 -24.768 1.00 0.00 S ATOM 430 CE MET A 27 -9.377 14.237 -23.102 1.00 0.00 C ATOM 0 H MET A 27 -11.600 17.860 -22.234 1.00 0.00 H new ATOM 0 HA MET A 27 -13.427 17.349 -24.342 1.00 0.00 H new ATOM 0 HB2 MET A 27 -11.716 15.526 -22.577 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.614 14.946 -23.966 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.278 16.520 -25.424 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.327 16.957 -24.018 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.553 13.524 -23.140 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.074 15.112 -22.528 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.239 13.770 -22.625 1.00 0.00 H new ATOM 440 N GLN A 28 -14.418 16.501 -21.320 1.00 0.00 N ATOM 441 CA GLN A 28 -15.602 16.108 -20.526 1.00 0.00 C ATOM 442 C GLN A 28 -16.771 17.069 -20.818 1.00 0.00 C ATOM 443 O GLN A 28 -17.938 16.684 -20.740 1.00 0.00 O ATOM 444 CB GLN A 28 -15.272 16.082 -19.003 1.00 0.00 C ATOM 445 CG GLN A 28 -14.327 14.939 -18.551 1.00 0.00 C ATOM 446 CD GLN A 28 -14.888 13.528 -18.772 1.00 0.00 C ATOM 447 OE1 GLN A 28 -16.095 13.300 -18.698 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.016 12.568 -19.048 1.00 0.00 N ATOM 0 H GLN A 28 -13.642 16.852 -20.759 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.896 15.099 -20.816 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.820 17.035 -18.729 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.206 16.001 -18.447 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.383 15.030 -19.089 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.104 15.066 -17.492 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.021 12.784 -19.104 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.341 11.614 -19.205 1.00 0.00 H new ATOM 457 N GLY A 29 -16.428 18.324 -21.155 1.00 0.00 N ATOM 458 CA GLY A 29 -17.414 19.332 -21.571 1.00 0.00 C ATOM 459 C GLY A 29 -17.197 20.668 -20.886 1.00 0.00 C ATOM 460 O GLY A 29 -18.165 21.343 -20.505 1.00 0.00 O ATOM 0 H GLY A 29 -15.467 18.665 -21.147 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.358 19.467 -22.651 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.417 18.970 -21.346 1.00 0.00 H new ATOM 464 N PHE A 30 -15.921 21.059 -20.740 1.00 0.00 N ATOM 465 CA PHE A 30 -15.529 22.313 -20.057 1.00 0.00 C ATOM 466 C PHE A 30 -14.520 23.093 -20.914 1.00 0.00 C ATOM 467 O PHE A 30 -14.301 22.766 -22.086 1.00 0.00 O ATOM 468 CB PHE A 30 -14.926 22.013 -18.648 1.00 0.00 C ATOM 469 CG PHE A 30 -15.893 21.364 -17.650 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.860 22.131 -16.999 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.833 19.999 -17.357 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.733 21.554 -16.094 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.705 19.423 -16.453 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.656 20.202 -15.821 1.00 0.00 C ATOM 0 H PHE A 30 -15.129 20.519 -21.090 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.422 22.923 -19.923 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.063 21.359 -18.771 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.560 22.946 -18.221 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.928 23.189 -17.204 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.092 19.384 -17.846 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.476 22.162 -15.600 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.644 18.366 -16.241 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.339 19.754 -15.114 1.00 0.00 H new ATOM 484 N ASP A 31 -13.951 24.145 -20.304 1.00 0.00 N ATOM 485 CA ASP A 31 -12.851 24.949 -20.849 1.00 0.00 C ATOM 486 C ASP A 31 -12.371 25.886 -19.721 1.00 0.00 C ATOM 487 O ASP A 31 -13.077 26.816 -19.326 1.00 0.00 O ATOM 488 CB ASP A 31 -13.266 25.727 -22.145 1.00 0.00 C ATOM 489 CG ASP A 31 -14.426 26.734 -21.960 1.00 0.00 C ATOM 490 OD1 ASP A 31 -15.575 26.302 -21.687 1.00 0.00 O ATOM 491 OD2 ASP A 31 -14.195 27.964 -22.075 1.00 0.00 O ATOM 0 H ASP A 31 -14.256 24.468 -19.386 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.034 24.303 -21.169 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -12.396 26.264 -22.523 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.551 25.004 -22.909 1.00 0.00 H new ATOM 496 N LEU A 32 -11.190 25.584 -19.155 1.00 0.00 N ATOM 497 CA LEU A 32 -10.675 26.274 -17.952 1.00 0.00 C ATOM 498 C LEU A 32 -10.003 27.620 -18.332 1.00 0.00 C ATOM 499 O LEU A 32 -9.314 27.680 -19.356 1.00 0.00 O ATOM 500 CB LEU A 32 -9.688 25.343 -17.189 1.00 0.00 C ATOM 501 CG LEU A 32 -10.242 23.920 -16.807 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.211 23.110 -15.995 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.598 24.009 -16.060 1.00 0.00 C ATOM 0 H LEU A 32 -10.567 24.860 -19.513 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.511 26.503 -17.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.796 25.212 -17.801 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.376 25.848 -16.275 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.420 23.388 -17.741 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.628 22.133 -15.749 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.304 22.979 -16.586 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.971 23.644 -15.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.945 23.005 -15.815 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.471 24.583 -15.142 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.333 24.501 -16.697 1.00 0.00 H new ATOM 515 N PRO A 33 -10.198 28.718 -17.514 1.00 0.00 N ATOM 516 CA PRO A 33 -9.676 30.072 -17.835 1.00 0.00 C ATOM 517 C PRO A 33 -8.129 30.100 -17.853 1.00 0.00 C ATOM 518 O PRO A 33 -7.486 29.957 -16.810 1.00 0.00 O ATOM 519 CB PRO A 33 -10.265 30.984 -16.712 1.00 0.00 C ATOM 520 CG PRO A 33 -11.350 30.170 -16.069 1.00 0.00 C ATOM 521 CD PRO A 33 -10.925 28.727 -16.214 1.00 0.00 C ATOM 0 HA PRO A 33 -9.969 30.405 -18.831 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.499 31.260 -15.988 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.662 31.911 -17.126 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.470 30.438 -15.019 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.310 30.345 -16.555 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.284 28.411 -15.391 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.782 28.054 -16.227 1.00 0.00 H new ATOM 529 N GLN A 34 -7.541 30.248 -19.049 1.00 0.00 N ATOM 530 CA GLN A 34 -6.071 30.198 -19.230 1.00 0.00 C ATOM 531 C GLN A 34 -5.420 31.586 -19.109 1.00 0.00 C ATOM 532 O GLN A 34 -4.240 31.686 -18.766 1.00 0.00 O ATOM 533 CB GLN A 34 -5.725 29.551 -20.593 1.00 0.00 C ATOM 534 CG GLN A 34 -6.187 28.086 -20.722 1.00 0.00 C ATOM 535 CD GLN A 34 -5.664 27.393 -21.985 1.00 0.00 C ATOM 536 OE1 GLN A 34 -6.305 27.419 -23.040 1.00 0.00 O ATOM 537 NE2 GLN A 34 -4.490 26.779 -21.893 1.00 0.00 N ATOM 0 H GLN A 34 -8.059 30.404 -19.914 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.663 29.585 -18.426 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.182 30.138 -21.390 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.646 29.596 -20.743 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.854 27.529 -19.846 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.277 28.055 -20.724 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.985 26.775 -21.007 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.094 26.311 -22.708 1.00 0.00 H new ATOM 546 N SER A 35 -6.207 32.640 -19.362 1.00 0.00 N ATOM 547 CA SER A 35 -5.703 34.032 -19.433 1.00 0.00 C ATOM 548 C SER A 35 -5.165 34.581 -18.061 1.00 0.00 C ATOM 549 O SER A 35 -4.104 35.229 -18.071 1.00 0.00 O ATOM 550 CB SER A 35 -6.774 34.965 -20.078 1.00 0.00 C ATOM 551 OG SER A 35 -8.073 34.750 -19.547 1.00 0.00 O ATOM 0 H SER A 35 -7.211 32.560 -19.524 1.00 0.00 H new ATOM 0 HA SER A 35 -4.827 34.022 -20.082 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.488 36.005 -19.920 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.793 34.800 -21.155 1.00 0.00 H new ATOM 0 HG SER A 35 -8.708 35.358 -19.980 1.00 0.00 H new ATOM 557 N PRO A 36 -5.846 34.372 -16.862 1.00 0.00 N ATOM 558 CA PRO A 36 -5.268 34.795 -15.554 1.00 0.00 C ATOM 559 C PRO A 36 -4.006 33.989 -15.169 1.00 0.00 C ATOM 560 O PRO A 36 -3.002 34.596 -14.778 1.00 0.00 O ATOM 561 CB PRO A 36 -6.424 34.568 -14.530 1.00 0.00 C ATOM 562 CG PRO A 36 -7.661 34.439 -15.374 1.00 0.00 C ATOM 563 CD PRO A 36 -7.204 33.796 -16.665 1.00 0.00 C ATOM 0 HA PRO A 36 -4.928 35.830 -15.584 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.255 33.671 -13.935 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.505 35.402 -13.833 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.414 33.828 -14.876 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.113 35.413 -15.559 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.174 32.709 -16.586 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.869 34.037 -17.494 1.00 0.00 H new ATOM 571 N GLN A 37 -4.120 32.622 -15.266 1.00 0.00 N ATOM 572 CA GLN A 37 -3.068 31.587 -14.976 1.00 0.00 C ATOM 573 C GLN A 37 -3.236 30.832 -13.604 1.00 0.00 C ATOM 574 O GLN A 37 -3.412 29.606 -13.641 1.00 0.00 O ATOM 575 CB GLN A 37 -1.588 32.050 -15.207 1.00 0.00 C ATOM 576 CG GLN A 37 -1.186 32.265 -16.693 1.00 0.00 C ATOM 577 CD GLN A 37 -1.217 30.976 -17.533 1.00 0.00 C ATOM 578 OE1 GLN A 37 -0.986 29.874 -17.027 1.00 0.00 O ATOM 579 NE2 GLN A 37 -1.475 31.103 -18.828 1.00 0.00 N ATOM 0 H GLN A 37 -4.995 32.191 -15.565 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.270 30.849 -15.753 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.427 32.982 -14.665 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.920 31.308 -14.770 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.859 32.996 -17.140 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.183 32.690 -16.731 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.663 32.025 -19.223 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.486 30.279 -19.429 1.00 0.00 H new ATOM 588 N PRO A 38 -3.200 31.485 -12.369 1.00 0.00 N ATOM 589 CA PRO A 38 -3.312 30.734 -11.067 1.00 0.00 C ATOM 590 C PRO A 38 -4.692 30.054 -10.896 1.00 0.00 C ATOM 591 O PRO A 38 -4.838 29.098 -10.130 1.00 0.00 O ATOM 592 CB PRO A 38 -3.083 31.834 -10.000 1.00 0.00 C ATOM 593 CG PRO A 38 -3.527 33.096 -10.678 1.00 0.00 C ATOM 594 CD PRO A 38 -3.060 32.948 -12.109 1.00 0.00 C ATOM 0 HA PRO A 38 -2.598 29.914 -10.998 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.662 31.641 -9.097 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.036 31.888 -9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.609 33.214 -10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.087 33.975 -10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.669 33.538 -12.794 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.029 33.281 -12.232 1.00 0.00 H new ATOM 602 N VAL A 39 -5.679 30.559 -11.655 1.00 0.00 N ATOM 603 CA VAL A 39 -7.055 30.046 -11.654 1.00 0.00 C ATOM 604 C VAL A 39 -7.135 28.643 -12.284 1.00 0.00 C ATOM 605 O VAL A 39 -8.018 27.867 -11.936 1.00 0.00 O ATOM 606 CB VAL A 39 -8.015 31.028 -12.404 1.00 0.00 C ATOM 607 CG1 VAL A 39 -7.989 32.428 -11.751 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.675 31.115 -13.905 1.00 0.00 C ATOM 0 H VAL A 39 -5.540 31.343 -12.292 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.373 29.969 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.026 30.630 -12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.664 33.093 -12.290 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.308 32.351 -10.712 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.976 32.829 -11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.362 31.806 -14.394 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.653 31.473 -14.026 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.770 30.128 -14.357 1.00 0.00 H new ATOM 618 N ARG A 40 -6.196 28.340 -13.217 1.00 0.00 N ATOM 619 CA ARG A 40 -6.092 27.014 -13.863 1.00 0.00 C ATOM 620 C ARG A 40 -5.832 25.944 -12.800 1.00 0.00 C ATOM 621 O ARG A 40 -6.465 24.902 -12.795 1.00 0.00 O ATOM 622 CB ARG A 40 -4.938 26.983 -14.910 1.00 0.00 C ATOM 623 CG ARG A 40 -5.113 27.936 -16.108 1.00 0.00 C ATOM 624 CD ARG A 40 -3.878 27.968 -17.030 1.00 0.00 C ATOM 625 NE ARG A 40 -3.562 26.646 -17.609 1.00 0.00 N ATOM 626 CZ ARG A 40 -2.330 26.227 -17.941 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.265 26.985 -17.713 1.00 0.00 N ATOM 628 NH2 ARG A 40 -2.169 25.040 -18.499 1.00 0.00 N ATOM 0 H ARG A 40 -5.495 29.007 -13.539 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.032 26.815 -14.377 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.004 27.228 -14.405 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.839 25.965 -15.287 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.985 27.629 -16.686 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.312 28.942 -15.740 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.050 28.681 -17.836 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.018 28.327 -16.465 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.338 26.003 -17.769 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.375 27.902 -17.279 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.337 26.651 -17.972 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.979 24.446 -18.676 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.235 24.718 -18.753 1.00 0.00 H new ATOM 642 N VAL A 41 -4.912 26.267 -11.882 1.00 0.00 N ATOM 643 CA VAL A 41 -4.459 25.374 -10.800 1.00 0.00 C ATOM 644 C VAL A 41 -5.650 24.911 -9.918 1.00 0.00 C ATOM 645 O VAL A 41 -5.881 23.699 -9.735 1.00 0.00 O ATOM 646 CB VAL A 41 -3.335 26.108 -9.961 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.892 25.305 -8.724 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.109 26.435 -10.858 1.00 0.00 C ATOM 0 H VAL A 41 -4.450 27.176 -11.868 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.031 24.468 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.774 27.037 -9.597 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.120 25.858 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.747 25.147 -8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.494 24.340 -9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.347 26.939 -10.263 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.699 25.511 -11.265 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.420 27.085 -11.676 1.00 0.00 H new ATOM 658 N LYS A 42 -6.443 25.891 -9.458 1.00 0.00 N ATOM 659 CA LYS A 42 -7.604 25.648 -8.575 1.00 0.00 C ATOM 660 C LYS A 42 -8.747 24.939 -9.362 1.00 0.00 C ATOM 661 O LYS A 42 -9.433 24.065 -8.820 1.00 0.00 O ATOM 662 CB LYS A 42 -8.073 27.012 -7.959 1.00 0.00 C ATOM 663 CG LYS A 42 -8.858 26.936 -6.612 1.00 0.00 C ATOM 664 CD LYS A 42 -10.307 26.392 -6.719 1.00 0.00 C ATOM 665 CE LYS A 42 -11.194 27.185 -7.705 1.00 0.00 C ATOM 666 NZ LYS A 42 -11.339 28.607 -7.329 1.00 0.00 N ATOM 0 H LYS A 42 -6.301 26.875 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.320 24.983 -7.760 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.193 27.637 -7.806 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.701 27.519 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.300 26.304 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.893 27.934 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.272 25.349 -7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.768 26.413 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.765 27.120 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.180 26.724 -7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.943 29.090 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.774 28.674 -6.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.402 29.059 -7.311 1.00 0.00 H new ATOM 680 N ALA A 43 -8.926 25.330 -10.635 1.00 0.00 N ATOM 681 CA ALA A 43 -9.976 24.775 -11.526 1.00 0.00 C ATOM 682 C ALA A 43 -9.752 23.274 -11.811 1.00 0.00 C ATOM 683 O ALA A 43 -10.695 22.465 -11.742 1.00 0.00 O ATOM 684 CB ALA A 43 -10.026 25.569 -12.841 1.00 0.00 C ATOM 0 H ALA A 43 -8.348 26.042 -11.083 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.933 24.870 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.799 25.154 -13.487 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.254 26.613 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.060 25.504 -13.342 1.00 0.00 H new ATOM 690 N VAL A 44 -8.487 22.921 -12.117 1.00 0.00 N ATOM 691 CA VAL A 44 -8.063 21.529 -12.354 1.00 0.00 C ATOM 692 C VAL A 44 -8.310 20.702 -11.085 1.00 0.00 C ATOM 693 O VAL A 44 -8.880 19.618 -11.165 1.00 0.00 O ATOM 694 CB VAL A 44 -6.544 21.429 -12.786 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.055 19.964 -12.865 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.301 22.136 -14.140 1.00 0.00 C ATOM 0 H VAL A 44 -7.729 23.597 -12.207 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.654 21.134 -13.180 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.967 21.935 -12.012 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.007 19.946 -13.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.161 19.492 -11.888 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.652 19.420 -13.597 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.249 22.051 -14.411 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.913 21.667 -14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.570 23.189 -14.054 1.00 0.00 H new ATOM 706 N TYR A 45 -7.914 21.267 -9.923 1.00 0.00 N ATOM 707 CA TYR A 45 -8.167 20.666 -8.599 1.00 0.00 C ATOM 708 C TYR A 45 -9.652 20.270 -8.416 1.00 0.00 C ATOM 709 O TYR A 45 -9.937 19.107 -8.135 1.00 0.00 O ATOM 710 CB TYR A 45 -7.708 21.644 -7.486 1.00 0.00 C ATOM 711 CG TYR A 45 -8.234 21.340 -6.073 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.630 20.378 -5.258 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.350 22.014 -5.564 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.126 20.102 -3.995 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.840 21.744 -4.308 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.231 20.788 -3.529 1.00 0.00 C ATOM 717 OH TYR A 45 -9.740 20.515 -2.282 1.00 0.00 O ATOM 0 H TYR A 45 -7.410 22.153 -9.879 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.588 19.746 -8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.618 21.645 -7.456 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.021 22.651 -7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.764 19.842 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.837 22.763 -6.171 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.651 19.354 -3.377 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.700 22.281 -3.935 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.516 21.089 -2.113 1.00 0.00 H new ATOM 727 N LEU A 46 -10.576 21.246 -8.606 1.00 0.00 N ATOM 728 CA LEU A 46 -12.036 21.024 -8.424 1.00 0.00 C ATOM 729 C LEU A 46 -12.539 19.884 -9.316 1.00 0.00 C ATOM 730 O LEU A 46 -13.285 19.010 -8.862 1.00 0.00 O ATOM 731 CB LEU A 46 -12.861 22.302 -8.740 1.00 0.00 C ATOM 732 CG LEU A 46 -12.689 23.507 -7.770 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.653 24.650 -8.154 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.876 23.085 -6.293 1.00 0.00 C ATOM 0 H LEU A 46 -10.336 22.197 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.177 20.761 -7.376 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.600 22.635 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.916 22.029 -8.759 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.667 23.873 -7.869 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.520 25.485 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.439 24.980 -9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.681 24.293 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.748 23.954 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.877 22.675 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.135 22.329 -6.034 1.00 0.00 H new ATOM 746 N PHE A 47 -12.103 19.925 -10.586 1.00 0.00 N ATOM 747 CA PHE A 47 -12.426 18.898 -11.584 1.00 0.00 C ATOM 748 C PHE A 47 -11.967 17.500 -11.114 1.00 0.00 C ATOM 749 O PHE A 47 -12.726 16.540 -11.212 1.00 0.00 O ATOM 750 CB PHE A 47 -11.789 19.274 -12.961 1.00 0.00 C ATOM 751 CG PHE A 47 -11.632 18.095 -13.928 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.746 17.450 -14.473 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.363 17.615 -14.259 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.594 16.359 -15.308 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.214 16.533 -15.097 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.330 15.903 -15.622 1.00 0.00 C ATOM 0 H PHE A 47 -11.515 20.675 -10.948 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.509 18.857 -11.705 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.404 20.038 -13.436 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.809 19.717 -12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.737 17.808 -14.239 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.487 18.099 -13.852 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.464 15.864 -15.714 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.226 16.175 -15.345 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.211 15.054 -16.278 1.00 0.00 H new ATOM 766 N LEU A 48 -10.727 17.406 -10.614 1.00 0.00 N ATOM 767 CA LEU A 48 -10.134 16.135 -10.161 1.00 0.00 C ATOM 768 C LEU A 48 -10.870 15.565 -8.931 1.00 0.00 C ATOM 769 O LEU A 48 -11.131 14.370 -8.864 1.00 0.00 O ATOM 770 CB LEU A 48 -8.630 16.307 -9.844 1.00 0.00 C ATOM 771 CG LEU A 48 -7.705 16.732 -11.023 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.240 16.859 -10.560 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.840 15.776 -12.227 1.00 0.00 C ATOM 0 H LEU A 48 -10.105 18.208 -10.511 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.243 15.424 -10.980 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.533 17.050 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.258 15.364 -9.444 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.032 17.716 -11.360 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.617 17.157 -11.403 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.171 17.611 -9.774 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.896 15.899 -10.175 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.179 16.105 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.565 14.766 -11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.871 15.780 -12.581 1.00 0.00 H new ATOM 785 N VAL A 49 -11.212 16.436 -7.968 1.00 0.00 N ATOM 786 CA VAL A 49 -11.919 16.031 -6.733 1.00 0.00 C ATOM 787 C VAL A 49 -13.343 15.543 -7.080 1.00 0.00 C ATOM 788 O VAL A 49 -13.841 14.565 -6.505 1.00 0.00 O ATOM 789 CB VAL A 49 -11.981 17.212 -5.685 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.706 16.797 -4.385 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.568 17.735 -5.349 1.00 0.00 C ATOM 0 H VAL A 49 -11.010 17.435 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.360 15.215 -6.275 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.555 18.012 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.725 17.640 -3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.727 16.496 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.178 15.962 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.643 18.547 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.972 16.926 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.090 18.102 -6.258 1.00 0.00 H new ATOM 801 N ASP A 50 -13.958 16.219 -8.066 1.00 0.00 N ATOM 802 CA ASP A 50 -15.304 15.888 -8.574 1.00 0.00 C ATOM 803 C ASP A 50 -15.285 14.556 -9.347 1.00 0.00 C ATOM 804 O ASP A 50 -16.173 13.716 -9.188 1.00 0.00 O ATOM 805 CB ASP A 50 -15.811 17.026 -9.495 1.00 0.00 C ATOM 806 CG ASP A 50 -17.272 16.842 -9.953 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.193 17.257 -9.211 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.506 16.273 -11.044 1.00 0.00 O ATOM 0 H ASP A 50 -13.533 17.017 -8.538 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.978 15.782 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.721 17.976 -8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.168 17.086 -10.373 1.00 0.00 H new ATOM 813 N ALA A 51 -14.229 14.372 -10.153 1.00 0.00 N ATOM 814 CA ALA A 51 -14.036 13.171 -10.994 1.00 0.00 C ATOM 815 C ALA A 51 -13.422 12.016 -10.175 1.00 0.00 C ATOM 816 O ALA A 51 -13.122 10.945 -10.720 1.00 0.00 O ATOM 817 CB ALA A 51 -13.157 13.528 -12.209 1.00 0.00 C ATOM 0 H ALA A 51 -13.477 15.055 -10.244 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.006 12.829 -11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.015 12.642 -12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.645 14.306 -12.795 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.188 13.888 -11.864 1.00 0.00 H new ATOM 823 N LYS A 52 -13.215 12.280 -8.858 1.00 0.00 N ATOM 824 CA LYS A 52 -12.753 11.304 -7.847 1.00 0.00 C ATOM 825 C LYS A 52 -11.312 10.823 -8.139 1.00 0.00 C ATOM 826 O LYS A 52 -10.891 9.752 -7.692 1.00 0.00 O ATOM 827 CB LYS A 52 -13.765 10.123 -7.695 1.00 0.00 C ATOM 828 CG LYS A 52 -15.248 10.558 -7.502 1.00 0.00 C ATOM 829 CD LYS A 52 -15.443 11.607 -6.379 1.00 0.00 C ATOM 830 CE LYS A 52 -16.909 12.067 -6.246 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.054 13.175 -5.266 1.00 0.00 N ATOM 0 H LYS A 52 -13.371 13.207 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.718 11.810 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.699 9.489 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.466 9.513 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.623 10.967 -8.440 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.850 9.678 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.111 11.185 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.811 12.472 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.277 12.392 -7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.527 11.225 -5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.053 13.456 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.726 12.857 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.484 13.988 -5.575 1.00 0.00 H new ATOM 845 N GLN A 53 -10.565 11.668 -8.877 1.00 0.00 N ATOM 846 CA GLN A 53 -9.138 11.481 -9.186 1.00 0.00 C ATOM 847 C GLN A 53 -8.274 11.700 -7.930 1.00 0.00 C ATOM 848 O GLN A 53 -7.296 10.979 -7.710 1.00 0.00 O ATOM 849 CB GLN A 53 -8.709 12.474 -10.301 1.00 0.00 C ATOM 850 CG GLN A 53 -9.535 12.409 -11.601 1.00 0.00 C ATOM 851 CD GLN A 53 -9.463 11.055 -12.304 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.582 10.819 -13.134 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.391 10.162 -11.982 1.00 0.00 N ATOM 0 H GLN A 53 -10.950 12.521 -9.284 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.989 10.458 -9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.768 13.487 -9.904 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.663 12.289 -10.546 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.576 12.635 -11.372 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.184 13.183 -12.284 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.104 10.394 -11.290 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.391 9.244 -12.426 1.00 0.00 H new ATOM 862 N ILE A 54 -8.649 12.718 -7.119 1.00 0.00 N ATOM 863 CA ILE A 54 -7.981 13.038 -5.829 1.00 0.00 C ATOM 864 C ILE A 54 -9.025 13.310 -4.732 1.00 0.00 C ATOM 865 O ILE A 54 -10.213 13.511 -5.017 1.00 0.00 O ATOM 866 CB ILE A 54 -7.023 14.296 -5.921 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.805 15.549 -6.427 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.798 13.996 -6.801 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.988 16.826 -6.546 1.00 0.00 C ATOM 0 H ILE A 54 -9.424 13.343 -7.339 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.377 12.165 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.654 14.519 -4.920 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.232 15.319 -7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.639 15.733 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.158 14.877 -6.846 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.239 13.163 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.128 13.735 -7.807 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.626 17.634 -6.905 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.582 17.091 -5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.170 16.670 -7.249 1.00 0.00 H new ATOM 881 N ALA A 55 -8.542 13.321 -3.478 1.00 0.00 N ATOM 882 CA ALA A 55 -9.325 13.706 -2.296 1.00 0.00 C ATOM 883 C ALA A 55 -9.272 15.240 -2.119 1.00 0.00 C ATOM 884 O ALA A 55 -8.308 15.880 -2.573 1.00 0.00 O ATOM 885 CB ALA A 55 -8.769 12.994 -1.044 1.00 0.00 C ATOM 0 H ALA A 55 -7.582 13.058 -3.256 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.364 13.404 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.354 13.284 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.832 11.915 -1.181 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.728 13.281 -0.895 1.00 0.00 H new ATOM 891 N PRO A 56 -10.307 15.865 -1.476 1.00 0.00 N ATOM 892 CA PRO A 56 -10.292 17.312 -1.179 1.00 0.00 C ATOM 893 C PRO A 56 -9.313 17.671 -0.039 1.00 0.00 C ATOM 894 O PRO A 56 -8.876 16.812 0.729 1.00 0.00 O ATOM 895 CB PRO A 56 -11.762 17.602 -0.785 1.00 0.00 C ATOM 896 CG PRO A 56 -12.255 16.310 -0.212 1.00 0.00 C ATOM 897 CD PRO A 56 -11.578 15.224 -1.018 1.00 0.00 C ATOM 0 HA PRO A 56 -9.945 17.909 -2.022 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.826 18.410 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.353 17.905 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.003 16.228 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.340 16.236 -0.288 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.385 14.338 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.193 14.907 -1.860 1.00 0.00 H new ATOM 905 N LEU A 57 -8.951 18.944 0.017 1.00 0.00 N ATOM 906 CA LEU A 57 -8.164 19.537 1.101 1.00 0.00 C ATOM 907 C LEU A 57 -9.117 20.074 2.190 1.00 0.00 C ATOM 908 O LEU A 57 -10.308 20.297 1.907 1.00 0.00 O ATOM 909 CB LEU A 57 -7.313 20.693 0.512 1.00 0.00 C ATOM 910 CG LEU A 57 -6.176 20.258 -0.469 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.704 21.440 -1.341 1.00 0.00 C ATOM 912 CD2 LEU A 57 -4.991 19.623 0.301 1.00 0.00 C ATOM 0 H LEU A 57 -9.201 19.616 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.507 18.792 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.978 21.380 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.865 21.248 1.336 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.586 19.500 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.913 21.104 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.542 21.817 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.323 22.235 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.214 19.329 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.585 20.348 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.339 18.744 0.844 1.00 0.00 H new ATOM 924 N PRO A 58 -8.630 20.281 3.456 1.00 0.00 N ATOM 925 CA PRO A 58 -9.397 21.035 4.466 1.00 0.00 C ATOM 926 C PRO A 58 -9.468 22.527 4.080 1.00 0.00 C ATOM 927 O PRO A 58 -8.637 23.005 3.295 1.00 0.00 O ATOM 928 CB PRO A 58 -8.599 20.798 5.772 1.00 0.00 C ATOM 929 CG PRO A 58 -7.200 20.535 5.320 1.00 0.00 C ATOM 930 CD PRO A 58 -7.333 19.788 4.007 1.00 0.00 C ATOM 0 HA PRO A 58 -10.435 20.717 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.646 21.667 6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.999 19.953 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.649 21.466 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.655 19.943 6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.503 20.006 3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.346 18.709 4.159 1.00 0.00 H new ATOM 938 N ASP A 59 -10.462 23.244 4.625 1.00 0.00 N ATOM 939 CA ASP A 59 -10.667 24.687 4.334 1.00 0.00 C ATOM 940 C ASP A 59 -9.417 25.519 4.704 1.00 0.00 C ATOM 941 O ASP A 59 -9.102 26.523 4.047 1.00 0.00 O ATOM 942 CB ASP A 59 -11.915 25.208 5.092 1.00 0.00 C ATOM 943 CG ASP A 59 -12.179 26.718 4.909 1.00 0.00 C ATOM 944 OD1 ASP A 59 -12.402 27.161 3.756 1.00 0.00 O ATOM 945 OD2 ASP A 59 -12.168 27.466 5.914 1.00 0.00 O ATOM 0 H ASP A 59 -11.145 22.853 5.274 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.831 24.799 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.790 24.653 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.796 24.997 6.155 1.00 0.00 H new ATOM 950 N SER A 60 -8.716 25.067 5.751 1.00 0.00 N ATOM 951 CA SER A 60 -7.457 25.661 6.217 1.00 0.00 C ATOM 952 C SER A 60 -6.353 25.559 5.137 1.00 0.00 C ATOM 953 O SER A 60 -5.680 26.548 4.820 1.00 0.00 O ATOM 954 CB SER A 60 -7.032 24.943 7.515 1.00 0.00 C ATOM 955 OG SER A 60 -6.973 23.536 7.322 1.00 0.00 O ATOM 0 H SER A 60 -9.013 24.265 6.307 1.00 0.00 H new ATOM 0 HA SER A 60 -7.606 26.723 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.058 25.311 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.739 25.175 8.312 1.00 0.00 H new ATOM 0 HG SER A 60 -6.700 23.102 8.157 1.00 0.00 H new ATOM 961 N LYS A 61 -6.200 24.350 4.558 1.00 0.00 N ATOM 962 CA LYS A 61 -5.179 24.059 3.524 1.00 0.00 C ATOM 963 C LYS A 61 -5.785 24.122 2.113 1.00 0.00 C ATOM 964 O LYS A 61 -5.256 23.526 1.177 1.00 0.00 O ATOM 965 CB LYS A 61 -4.489 22.675 3.795 1.00 0.00 C ATOM 966 CG LYS A 61 -3.343 22.725 4.842 1.00 0.00 C ATOM 967 CD LYS A 61 -3.808 23.150 6.257 1.00 0.00 C ATOM 968 CE LYS A 61 -2.657 23.665 7.135 1.00 0.00 C ATOM 969 NZ LYS A 61 -3.140 24.103 8.471 1.00 0.00 N ATOM 0 H LYS A 61 -6.781 23.545 4.793 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.410 24.829 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.244 21.966 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.091 22.291 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.876 21.742 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.578 23.421 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.566 23.928 6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.281 22.300 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.912 22.879 7.257 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.162 24.498 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.336 24.444 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.832 24.870 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.590 23.301 8.958 1.00 0.00 H new ATOM 983 N LEU A 62 -6.876 24.886 1.957 1.00 0.00 N ATOM 984 CA LEU A 62 -7.418 25.235 0.631 1.00 0.00 C ATOM 985 C LEU A 62 -6.679 26.509 0.169 1.00 0.00 C ATOM 986 O LEU A 62 -7.246 27.605 0.094 1.00 0.00 O ATOM 987 CB LEU A 62 -8.978 25.413 0.689 1.00 0.00 C ATOM 988 CG LEU A 62 -9.791 25.031 -0.601 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.460 25.935 -1.810 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.594 23.540 -0.947 1.00 0.00 C ATOM 0 H LEU A 62 -7.405 25.277 2.737 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.251 24.437 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.356 24.814 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.191 26.455 0.927 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.843 25.200 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.052 25.623 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.694 26.971 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.400 25.850 -2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.165 23.296 -1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.537 23.345 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.941 22.925 -0.117 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.376 26.322 -0.081 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.420 27.382 -0.458 1.00 0.00 C ATOM 1004 C ASP A 63 -3.653 26.918 -1.699 1.00 0.00 C ATOM 1005 O ASP A 63 -3.403 25.719 -1.836 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.446 27.664 0.725 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.306 28.651 0.386 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.505 29.881 0.510 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.212 28.199 -0.042 1.00 0.00 O ATOM 0 H ASP A 63 -4.941 25.401 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.948 28.309 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.017 28.061 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.009 26.721 1.054 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.243 27.885 -2.544 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.628 27.624 -3.854 1.00 0.00 C ATOM 1016 C GLY A 64 -1.488 26.612 -3.839 1.00 0.00 C ATOM 1017 O GLY A 64 -1.419 25.763 -4.723 1.00 0.00 O ATOM 0 H GLY A 64 -3.332 28.878 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.400 27.269 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.254 28.565 -4.257 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.626 26.673 -2.809 1.00 0.00 N ATOM 1022 CA ALA A 65 0.512 25.735 -2.653 1.00 0.00 C ATOM 1023 C ALA A 65 0.023 24.285 -2.465 1.00 0.00 C ATOM 1024 O ALA A 65 0.523 23.359 -3.112 1.00 0.00 O ATOM 1025 CB ALA A 65 1.383 26.172 -1.465 1.00 0.00 C ATOM 0 H ALA A 65 -0.693 27.366 -2.064 1.00 0.00 H new ATOM 0 HA ALA A 65 1.109 25.762 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.218 25.481 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.765 27.177 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.784 26.168 -0.554 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.979 24.112 -1.589 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.556 22.788 -1.259 1.00 0.00 C ATOM 1033 C ASN A 66 -2.366 22.222 -2.441 1.00 0.00 C ATOM 1034 O ASN A 66 -2.438 20.995 -2.622 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.448 22.888 -0.002 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.681 23.359 1.236 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -1.132 22.551 1.987 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -1.633 24.666 1.456 1.00 0.00 N ATOM 0 H ASN A 66 -1.416 24.884 -1.086 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.731 22.105 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.269 23.578 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.892 21.913 0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.131 25.029 2.266 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.098 25.309 0.815 1.00 0.00 H new ATOM 1045 N ILE A 67 -2.991 23.131 -3.220 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.682 22.787 -4.475 1.00 0.00 C ATOM 1047 C ILE A 67 -2.668 22.185 -5.477 1.00 0.00 C ATOM 1048 O ILE A 67 -2.892 21.104 -6.029 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.366 24.047 -5.139 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.403 24.740 -4.194 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -5.031 23.665 -6.473 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.654 23.937 -3.902 1.00 0.00 C ATOM 0 H ILE A 67 -3.029 24.125 -2.993 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.461 22.064 -4.232 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.572 24.770 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.911 24.970 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.697 25.690 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.496 24.547 -6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.277 23.273 -7.156 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.791 22.904 -6.296 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.305 24.506 -3.239 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.178 23.728 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.380 22.998 -3.422 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.540 22.905 -5.658 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.433 22.500 -6.548 1.00 0.00 C ATOM 1066 C LYS A 68 0.129 21.128 -6.141 1.00 0.00 C ATOM 1067 O LYS A 68 0.515 20.326 -6.992 1.00 0.00 O ATOM 1068 CB LYS A 68 0.695 23.571 -6.502 1.00 0.00 C ATOM 1069 CG LYS A 68 0.326 24.919 -7.155 1.00 0.00 C ATOM 1070 CD LYS A 68 1.419 25.994 -6.979 1.00 0.00 C ATOM 1071 CE LYS A 68 1.004 27.363 -7.556 1.00 0.00 C ATOM 1072 NZ LYS A 68 2.049 28.401 -7.343 1.00 0.00 N ATOM 0 H LYS A 68 -1.372 23.793 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.819 22.421 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.968 23.748 -5.462 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.579 23.171 -6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.145 24.764 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.606 25.283 -6.723 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.647 26.105 -5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.334 25.660 -7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.807 27.261 -8.623 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.073 27.685 -7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.728 29.304 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.220 28.518 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.931 28.107 -7.810 1.00 0.00 H new ATOM 1086 N HIS A 69 0.140 20.878 -4.824 1.00 0.00 N ATOM 1087 CA HIS A 69 0.633 19.625 -4.237 1.00 0.00 C ATOM 1088 C HIS A 69 -0.312 18.452 -4.588 1.00 0.00 C ATOM 1089 O HIS A 69 0.146 17.348 -4.893 1.00 0.00 O ATOM 1090 CB HIS A 69 0.785 19.800 -2.705 1.00 0.00 C ATOM 1091 CG HIS A 69 1.650 18.762 -2.032 1.00 0.00 C ATOM 1092 ND1 HIS A 69 3.024 18.844 -2.011 1.00 0.00 N ATOM 1093 CD2 HIS A 69 1.339 17.637 -1.344 1.00 0.00 C ATOM 1094 CE1 HIS A 69 3.518 17.827 -1.344 1.00 0.00 C ATOM 1095 NE2 HIS A 69 2.519 17.074 -0.927 1.00 0.00 N ATOM 0 H HIS A 69 -0.196 21.546 -4.131 1.00 0.00 H new ATOM 0 HA HIS A 69 1.611 19.386 -4.654 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.204 20.786 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.206 19.777 -2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 69 3.575 19.583 -2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.346 17.254 -1.158 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.567 17.639 -1.167 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.634 18.720 -4.570 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.667 17.744 -4.997 1.00 0.00 C ATOM 1106 C ARG A 70 -2.462 17.347 -6.470 1.00 0.00 C ATOM 1107 O ARG A 70 -2.470 16.157 -6.808 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.103 18.325 -4.807 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.670 18.243 -3.377 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.794 16.789 -2.881 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.597 16.684 -1.641 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.300 15.914 -0.580 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.148 15.252 -0.517 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.149 15.833 0.432 1.00 0.00 N ATOM 0 H ARG A 70 -2.018 19.613 -4.261 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.563 16.859 -4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.097 19.370 -5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.781 17.798 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.024 18.802 -2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.650 18.719 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.252 16.180 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.799 16.383 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.448 17.244 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.476 15.325 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.937 14.672 0.295 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.026 16.354 0.405 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.927 15.250 1.239 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.257 18.368 -7.317 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.045 18.195 -8.767 1.00 0.00 C ATOM 1130 C LEU A 71 -0.754 17.398 -9.041 1.00 0.00 C ATOM 1131 O LEU A 71 -0.708 16.547 -9.941 1.00 0.00 O ATOM 1132 CB LEU A 71 -1.963 19.583 -9.460 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.148 20.565 -9.192 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.003 21.859 -10.009 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.515 19.896 -9.438 1.00 0.00 C ATOM 0 H LEU A 71 -2.233 19.342 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.889 17.637 -9.173 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.039 20.068 -9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.888 19.424 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.107 20.835 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.845 22.519 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.073 22.359 -9.737 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.988 21.618 -11.072 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.312 20.613 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.576 19.563 -10.474 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.625 19.039 -8.774 1.00 0.00 H new ATOM 1147 N ALA A 72 0.268 17.686 -8.221 1.00 0.00 N ATOM 1148 CA ALA A 72 1.605 17.098 -8.335 1.00 0.00 C ATOM 1149 C ALA A 72 1.583 15.579 -8.103 1.00 0.00 C ATOM 1150 O ALA A 72 2.037 14.808 -8.953 1.00 0.00 O ATOM 1151 CB ALA A 72 2.554 17.783 -7.347 1.00 0.00 C ATOM 0 H ALA A 72 0.184 18.346 -7.448 1.00 0.00 H new ATOM 0 HA ALA A 72 1.963 17.261 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.548 17.344 -7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.607 18.848 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.183 17.645 -6.331 1.00 0.00 H new ATOM 1157 N LEU A 73 1.031 15.159 -6.946 1.00 0.00 N ATOM 1158 CA LEU A 73 0.952 13.726 -6.583 1.00 0.00 C ATOM 1159 C LEU A 73 -0.073 12.978 -7.446 1.00 0.00 C ATOM 1160 O LEU A 73 0.087 11.766 -7.667 1.00 0.00 O ATOM 1161 CB LEU A 73 0.658 13.508 -5.075 1.00 0.00 C ATOM 1162 CG LEU A 73 1.870 13.750 -4.117 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.168 15.245 -3.934 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.660 13.042 -2.766 1.00 0.00 C ATOM 0 H LEU A 73 0.634 15.788 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 73 1.939 13.309 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.155 14.171 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.303 12.487 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 73 2.749 13.310 -4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.017 15.367 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.404 15.690 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.295 15.741 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.518 13.228 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.758 13.427 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.555 11.970 -2.930 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.115 13.697 -7.928 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.102 13.119 -8.857 1.00 0.00 C ATOM 1178 C TRP A 74 -1.396 12.616 -10.115 1.00 0.00 C ATOM 1179 O TRP A 74 -1.439 11.429 -10.418 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.202 14.138 -9.268 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.122 13.604 -10.353 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -5.007 12.568 -10.248 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.206 14.058 -11.715 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.626 12.353 -11.454 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.156 13.255 -12.364 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.571 15.071 -12.439 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.487 13.426 -13.701 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.900 15.244 -13.768 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.850 14.423 -14.387 1.00 0.00 C ATOM 0 H TRP A 74 -1.289 14.673 -7.687 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.588 12.296 -8.333 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.795 14.399 -8.391 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.729 15.055 -9.618 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.192 12.001 -9.348 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.325 11.634 -11.640 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.836 15.707 -11.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.220 12.795 -14.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.418 16.024 -14.339 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.085 14.580 -15.429 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.735 13.549 -10.821 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.100 13.266 -12.108 1.00 0.00 C ATOM 1202 C ILE A 75 1.123 12.345 -11.923 1.00 0.00 C ATOM 1203 O ILE A 75 1.425 11.552 -12.796 1.00 0.00 O ATOM 1204 CB ILE A 75 0.272 14.595 -12.875 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.603 14.326 -14.381 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.429 15.343 -12.185 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.480 13.582 -15.158 1.00 0.00 C ATOM 0 H ILE A 75 -0.629 14.515 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.820 12.735 -12.731 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.609 15.235 -12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.790 15.281 -14.872 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.528 13.752 -14.437 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.657 16.252 -12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.138 15.603 -11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.311 14.703 -12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.158 13.444 -16.190 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.654 12.609 -14.699 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.403 14.161 -15.141 1.00 0.00 H new ATOM 1219 N HIS A 76 1.779 12.408 -10.741 1.00 0.00 N ATOM 1220 CA HIS A 76 2.941 11.544 -10.431 1.00 0.00 C ATOM 1221 C HIS A 76 2.500 10.075 -10.275 1.00 0.00 C ATOM 1222 O HIS A 76 3.249 9.150 -10.606 1.00 0.00 O ATOM 1223 CB HIS A 76 3.676 12.029 -9.145 1.00 0.00 C ATOM 1224 CG HIS A 76 5.105 11.555 -9.045 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.757 11.335 -7.854 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.020 11.309 -10.012 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.001 10.971 -8.097 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.185 10.944 -9.398 1.00 0.00 N ATOM 0 H HIS A 76 1.524 13.047 -9.988 1.00 0.00 H new ATOM 0 HA HIS A 76 3.639 11.612 -11.266 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.662 13.119 -9.119 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.126 11.682 -8.270 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.858 11.387 -11.077 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.745 10.734 -7.351 1.00 0.00 H new ATOM 0 HE2 HIS A 76 8.053 10.692 -9.871 1.00 0.00 H new ATOM 1237 N ALA A 77 1.277 9.884 -9.750 1.00 0.00 N ATOM 1238 CA ALA A 77 0.645 8.558 -9.631 1.00 0.00 C ATOM 1239 C ALA A 77 -0.092 8.163 -10.932 1.00 0.00 C ATOM 1240 O ALA A 77 -0.272 6.974 -11.208 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.318 8.556 -8.436 1.00 0.00 C ATOM 0 H ALA A 77 0.698 10.646 -9.396 1.00 0.00 H new ATOM 0 HA ALA A 77 1.425 7.815 -9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.786 7.576 -8.347 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.235 8.778 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.088 9.313 -8.588 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.517 9.174 -11.717 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.249 8.974 -12.989 1.00 0.00 C ATOM 1249 C ALA A 78 -0.289 8.547 -14.111 1.00 0.00 C ATOM 1250 O ALA A 78 -0.707 7.922 -15.087 1.00 0.00 O ATOM 1251 CB ALA A 78 -2.018 10.249 -13.387 1.00 0.00 C ATOM 0 H ALA A 78 -0.363 10.156 -11.488 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.974 8.174 -12.838 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.547 10.077 -14.324 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.735 10.500 -12.606 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.316 11.073 -13.513 1.00 0.00 H new ATOM 1257 N LEU A 79 0.993 8.923 -13.965 1.00 0.00 N ATOM 1258 CA LEU A 79 2.082 8.426 -14.812 1.00 0.00 C ATOM 1259 C LEU A 79 2.610 7.119 -14.172 1.00 0.00 C ATOM 1260 O LEU A 79 3.194 7.172 -13.082 1.00 0.00 O ATOM 1261 CB LEU A 79 3.222 9.494 -14.925 1.00 0.00 C ATOM 1262 CG LEU A 79 2.802 10.910 -15.463 1.00 0.00 C ATOM 1263 CD1 LEU A 79 3.968 11.925 -15.375 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.235 10.838 -16.897 1.00 0.00 C ATOM 0 H LEU A 79 1.301 9.584 -13.251 1.00 0.00 H new ATOM 0 HA LEU A 79 1.723 8.232 -15.823 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.669 9.622 -13.939 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.999 9.097 -15.578 1.00 0.00 H new ATOM 0 HG LEU A 79 2.002 11.268 -14.814 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.639 12.892 -15.756 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.280 12.032 -14.336 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.808 11.567 -15.971 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.958 11.838 -17.229 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.991 10.430 -17.567 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.355 10.195 -16.908 1.00 0.00 H new ATOM 1276 N PRO A 80 2.381 5.914 -14.806 1.00 0.00 N ATOM 1277 CA PRO A 80 2.888 4.611 -14.282 1.00 0.00 C ATOM 1278 C PRO A 80 4.429 4.511 -14.339 1.00 0.00 C ATOM 1279 O PRO A 80 5.028 3.579 -13.784 1.00 0.00 O ATOM 1280 CB PRO A 80 2.219 3.571 -15.213 1.00 0.00 C ATOM 1281 CG PRO A 80 1.952 4.318 -16.481 1.00 0.00 C ATOM 1282 CD PRO A 80 1.600 5.721 -16.057 1.00 0.00 C ATOM 0 HA PRO A 80 2.648 4.466 -13.229 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.872 2.716 -15.387 1.00 0.00 H new ATOM 0 HB3 PRO A 80 1.297 3.185 -14.778 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.827 4.313 -17.131 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.136 3.861 -17.041 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.875 6.451 -16.818 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.530 5.831 -15.883 1.00 0.00 H new ATOM 1290 N ASP A 81 5.034 5.474 -15.048 1.00 0.00 N ATOM 1291 CA ASP A 81 6.484 5.682 -15.092 1.00 0.00 C ATOM 1292 C ASP A 81 6.998 6.091 -13.695 1.00 0.00 C ATOM 1293 O ASP A 81 8.090 5.689 -13.275 1.00 0.00 O ATOM 1294 CB ASP A 81 6.817 6.806 -16.116 1.00 0.00 C ATOM 1295 CG ASP A 81 6.141 6.629 -17.494 1.00 0.00 C ATOM 1296 OD1 ASP A 81 4.940 6.972 -17.633 1.00 0.00 O ATOM 1297 OD2 ASP A 81 6.793 6.128 -18.436 1.00 0.00 O ATOM 0 H ASP A 81 4.516 6.143 -15.618 1.00 0.00 H new ATOM 0 HA ASP A 81 6.970 4.755 -15.396 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.515 7.765 -15.696 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.897 6.846 -16.256 1.00 0.00 H new ATOM 1302 N ASN A 82 6.162 6.910 -13.001 1.00 0.00 N ATOM 1303 CA ASN A 82 6.466 7.517 -11.678 1.00 0.00 C ATOM 1304 C ASN A 82 7.731 8.405 -11.764 1.00 0.00 C ATOM 1305 O ASN A 82 8.431 8.635 -10.777 1.00 0.00 O ATOM 1306 CB ASN A 82 6.579 6.430 -10.568 1.00 0.00 C ATOM 1307 CG ASN A 82 5.247 5.723 -10.280 1.00 0.00 C ATOM 1308 OD1 ASN A 82 4.480 6.133 -9.402 1.00 0.00 O ATOM 1309 ND2 ASN A 82 4.956 4.650 -11.009 1.00 0.00 N ATOM 0 H ASN A 82 5.241 7.171 -13.353 1.00 0.00 H new ATOM 0 HA ASN A 82 5.635 8.163 -11.396 1.00 0.00 H new ATOM 0 HB2 ASN A 82 7.320 5.689 -10.868 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.944 6.892 -9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 82 4.084 4.146 -10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 82 5.605 4.331 -11.728 1.00 0.00 H new ATOM 1316 N ASP A 83 7.952 8.940 -12.965 1.00 0.00 N ATOM 1317 CA ASP A 83 9.128 9.754 -13.331 1.00 0.00 C ATOM 1318 C ASP A 83 9.124 11.126 -12.609 1.00 0.00 C ATOM 1319 O ASP A 83 8.059 11.617 -12.232 1.00 0.00 O ATOM 1320 CB ASP A 83 9.130 9.954 -14.878 1.00 0.00 C ATOM 1321 CG ASP A 83 7.866 10.665 -15.411 1.00 0.00 C ATOM 1322 OD1 ASP A 83 6.775 10.066 -15.365 1.00 0.00 O ATOM 1323 OD2 ASP A 83 7.957 11.823 -15.869 1.00 0.00 O ATOM 0 H ASP A 83 7.300 8.819 -13.740 1.00 0.00 H new ATOM 0 HA ASP A 83 10.031 9.231 -13.016 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.009 10.534 -15.160 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.221 8.981 -15.362 1.00 0.00 H new ATOM 1328 N PRO A 84 10.323 11.775 -12.408 1.00 0.00 N ATOM 1329 CA PRO A 84 10.409 13.149 -11.835 1.00 0.00 C ATOM 1330 C PRO A 84 10.044 14.257 -12.856 1.00 0.00 C ATOM 1331 O PRO A 84 10.116 15.441 -12.516 1.00 0.00 O ATOM 1332 CB PRO A 84 11.896 13.242 -11.415 1.00 0.00 C ATOM 1333 CG PRO A 84 12.609 12.391 -12.424 1.00 0.00 C ATOM 1334 CD PRO A 84 11.687 11.219 -12.683 1.00 0.00 C ATOM 0 HA PRO A 84 9.703 13.304 -11.019 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.254 14.271 -11.436 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.049 12.872 -10.401 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.804 12.948 -13.341 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.574 12.056 -12.044 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.774 10.860 -13.708 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.916 10.377 -12.030 1.00 0.00 H new ATOM 1342 N LEU A 85 9.647 13.845 -14.088 1.00 0.00 N ATOM 1343 CA LEU A 85 9.309 14.743 -15.222 1.00 0.00 C ATOM 1344 C LEU A 85 10.533 15.511 -15.738 1.00 0.00 C ATOM 1345 O LEU A 85 10.395 16.557 -16.388 1.00 0.00 O ATOM 1346 CB LEU A 85 8.114 15.691 -14.900 1.00 0.00 C ATOM 1347 CG LEU A 85 6.716 15.001 -14.854 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.522 14.152 -13.586 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.592 16.027 -15.022 1.00 0.00 C ATOM 0 H LEU A 85 9.551 12.858 -14.325 1.00 0.00 H new ATOM 0 HA LEU A 85 8.977 14.097 -16.035 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.298 16.168 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.087 16.483 -15.649 1.00 0.00 H new ATOM 0 HG LEU A 85 6.672 14.311 -15.697 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.533 13.694 -13.603 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.283 13.372 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.612 14.788 -12.705 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.628 15.520 -14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.646 16.761 -14.218 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.701 16.532 -15.982 1.00 0.00 H new ATOM 1361 N LYS A 86 11.723 14.946 -15.488 1.00 0.00 N ATOM 1362 CA LYS A 86 13.006 15.542 -15.891 1.00 0.00 C ATOM 1363 C LYS A 86 13.149 15.389 -17.435 1.00 0.00 C ATOM 1364 O LYS A 86 12.994 16.397 -18.162 1.00 0.00 O ATOM 1365 CB LYS A 86 14.177 14.849 -15.108 1.00 0.00 C ATOM 1366 CG LYS A 86 15.470 15.698 -14.912 1.00 0.00 C ATOM 1367 CD LYS A 86 16.152 16.132 -16.234 1.00 0.00 C ATOM 1368 CE LYS A 86 17.463 16.911 -16.017 1.00 0.00 C ATOM 1369 NZ LYS A 86 17.988 17.469 -17.295 1.00 0.00 N ATOM 1370 OXT LYS A 86 13.360 14.245 -17.905 1.00 0.00 O ATOM 0 H LYS A 86 11.823 14.057 -14.998 1.00 0.00 H new ATOM 0 HA LYS A 86 13.045 16.603 -15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.807 14.557 -14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.445 13.932 -15.633 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.222 16.589 -14.335 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.182 15.123 -14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.359 15.247 -16.835 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.460 16.751 -16.805 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.292 17.722 -15.309 1.00 0.00 H new ATOM 0 HE3 LYS A 86 18.209 16.252 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.871 17.987 -17.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 18.174 16.693 -17.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.286 18.117 -17.705 1.00 0.00 H new TER 1384 LYS A 86