USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 818 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 NoAdj-H: A 12 HIS HD1 : A 12 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HD1 : B 12 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 56 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 163:sc= 0.657 (180deg=0.322) USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= -1.2 (180deg=-2.98!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0455 (180deg=-0.446) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -78:sc= 0.612 USER MOD Single : A 18 ASN : amide:sc= -0.0399 K(o=-0.04,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 166:sc= -0.83 (180deg=-1.62) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0561 K(o=-0.056,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 62:sc=-0.000337 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.424 K(o=-0.42,f=-0.99) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.38) USER MOD Single : A 53 GLN : amide:sc=-0.00484 K(o=-0.0048,f=-1.4!) USER MOD Single : B 1 PHE N :NH3+ 159:sc= 0.673 (180deg=0.356) USER MOD Single : B 7 LYS NZ :NH3+ 148:sc= -1.28 (180deg=-3.21!) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= -0.0303 (180deg=-0.353) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -79:sc= 0.958 USER MOD Single : B 18 ASN : amide:sc= -0.0342 K(o=-0.034,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 166:sc= -0.646 (180deg=-1.59) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0399 K(o=-0.04,f=-1.8!) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 67:sc= 0.516 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -0.811 K(o=-0.81,f=-0.31) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 51 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.39) USER MOD Single : B 53 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.412 -3.257 24.194 1.00 0.00 N ATOM 2 CA PHE A 1 94.198 -3.900 25.519 1.00 0.00 C ATOM 3 C PHE A 1 93.819 -2.843 26.553 1.00 0.00 C ATOM 4 O PHE A 1 92.669 -2.487 26.710 1.00 0.00 O ATOM 5 CB PHE A 1 95.490 -4.596 25.963 1.00 0.00 C ATOM 6 CG PHE A 1 95.685 -5.868 25.173 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.208 -5.816 23.874 1.00 0.00 C ATOM 8 CD2 PHE A 1 95.343 -7.102 25.739 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.389 -6.996 23.144 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.526 -8.285 25.009 1.00 0.00 C ATOM 11 CZ PHE A 1 96.048 -8.231 23.713 1.00 0.00 C ATOM 0 H1 PHE A 1 94.938 -3.906 23.574 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.492 -3.036 23.763 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.956 -2.379 24.318 1.00 0.00 H new ATOM 0 HA PHE A 1 93.394 -4.631 25.435 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.341 -3.931 25.815 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.444 -4.822 27.028 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.472 -4.865 23.436 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.938 -7.143 26.739 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.791 -6.955 22.143 1.00 0.00 H new ATOM 0 HE2 PHE A 1 95.264 -9.237 25.447 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.189 -9.142 23.150 1.00 0.00 H new ATOM 23 N LEU A 2 94.786 -2.350 27.271 1.00 0.00 N ATOM 24 CA LEU A 2 94.504 -1.325 28.311 1.00 0.00 C ATOM 25 C LEU A 2 93.930 -0.061 27.669 1.00 0.00 C ATOM 26 O LEU A 2 93.033 0.564 28.202 1.00 0.00 O ATOM 27 CB LEU A 2 95.805 -0.979 29.023 1.00 0.00 C ATOM 28 CG LEU A 2 96.392 -2.230 29.693 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.782 -1.895 30.242 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.481 -2.695 30.844 1.00 0.00 C ATOM 0 H LEU A 2 95.767 -2.615 27.182 1.00 0.00 H new ATOM 0 HA LEU A 2 93.777 -1.721 29.020 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.521 -0.570 28.310 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.624 -0.208 29.772 1.00 0.00 H new ATOM 0 HG LEU A 2 96.465 -3.032 28.959 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.207 -2.778 30.720 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.429 -1.578 29.424 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.700 -1.091 30.973 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.908 -3.583 31.311 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.397 -1.900 31.585 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.492 -2.932 30.452 1.00 0.00 H new ATOM 42 N ASP A 3 94.454 0.335 26.546 1.00 0.00 N ATOM 43 CA ASP A 3 93.950 1.569 25.879 1.00 0.00 C ATOM 44 C ASP A 3 92.488 1.391 25.476 1.00 0.00 C ATOM 45 O ASP A 3 91.677 2.281 25.638 1.00 0.00 O ATOM 46 CB ASP A 3 94.785 1.828 24.627 1.00 0.00 C ATOM 47 CG ASP A 3 96.186 2.284 25.033 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.310 2.867 26.095 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.111 2.044 24.278 1.00 0.00 O ATOM 0 H ASP A 3 95.212 -0.142 26.058 1.00 0.00 H new ATOM 0 HA ASP A 3 94.029 2.409 26.569 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.847 0.922 24.024 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.308 2.589 24.010 1.00 0.00 H new ATOM 54 N GLY A 4 92.146 0.249 24.950 1.00 0.00 N ATOM 55 CA GLY A 4 90.736 0.013 24.533 1.00 0.00 C ATOM 56 C GLY A 4 89.839 0.042 25.766 1.00 0.00 C ATOM 57 O GLY A 4 88.729 0.534 25.735 1.00 0.00 O ATOM 0 H GLY A 4 92.782 -0.532 24.791 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.422 0.776 23.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.649 -0.949 24.028 1.00 0.00 H new ATOM 61 N ILE A 5 90.317 -0.490 26.850 1.00 0.00 N ATOM 62 CA ILE A 5 89.522 -0.508 28.108 1.00 0.00 C ATOM 63 C ILE A 5 89.285 0.925 28.598 1.00 0.00 C ATOM 64 O ILE A 5 88.222 1.251 29.083 1.00 0.00 O ATOM 65 CB ILE A 5 90.274 -1.318 29.158 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.244 -2.804 28.761 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.628 -1.125 30.537 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.185 -3.621 29.657 1.00 0.00 C ATOM 0 H ILE A 5 91.239 -0.920 26.921 1.00 0.00 H new ATOM 0 HA ILE A 5 88.552 -0.970 27.927 1.00 0.00 H new ATOM 0 HB ILE A 5 91.308 -0.976 29.212 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.228 -3.188 28.846 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.540 -2.913 27.718 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.173 -1.708 31.279 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.660 -0.070 30.809 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.591 -1.460 30.503 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.150 -4.669 29.361 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.204 -3.248 29.551 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.871 -3.527 30.696 1.00 0.00 H new ATOM 80 N ASP A 6 90.275 1.771 28.522 1.00 0.00 N ATOM 81 CA ASP A 6 90.084 3.169 29.012 1.00 0.00 C ATOM 82 C ASP A 6 88.952 3.844 28.242 1.00 0.00 C ATOM 83 O ASP A 6 88.071 4.451 28.820 1.00 0.00 O ATOM 84 CB ASP A 6 91.379 3.965 28.824 1.00 0.00 C ATOM 85 CG ASP A 6 92.427 3.503 29.843 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.064 3.309 30.989 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.571 3.348 29.456 1.00 0.00 O ATOM 0 H ASP A 6 91.200 1.560 28.146 1.00 0.00 H new ATOM 0 HA ASP A 6 89.827 3.140 30.071 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.758 3.826 27.811 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.183 5.030 28.948 1.00 0.00 H new ATOM 92 N LYS A 7 88.949 3.738 26.946 1.00 0.00 N ATOM 93 CA LYS A 7 87.855 4.370 26.163 1.00 0.00 C ATOM 94 C LYS A 7 86.541 3.635 26.436 1.00 0.00 C ATOM 95 O LYS A 7 85.495 4.236 26.579 1.00 0.00 O ATOM 96 CB LYS A 7 88.197 4.296 24.676 1.00 0.00 C ATOM 97 CG LYS A 7 87.163 5.096 23.885 1.00 0.00 C ATOM 98 CD LYS A 7 87.561 5.178 22.397 1.00 0.00 C ATOM 99 CE LYS A 7 88.548 6.335 22.151 1.00 0.00 C ATOM 100 NZ LYS A 7 89.908 5.963 22.637 1.00 0.00 N ATOM 0 H LYS A 7 89.652 3.244 26.397 1.00 0.00 H new ATOM 0 HA LYS A 7 87.744 5.414 26.456 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.196 4.695 24.500 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.205 3.258 24.343 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.183 4.628 23.979 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.078 6.100 24.300 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.014 4.237 22.086 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.670 5.320 21.786 1.00 0.00 H new ATOM 0 HE2 LYS A 7 88.586 6.571 21.087 1.00 0.00 H new ATOM 0 HE3 LYS A 7 88.203 7.232 22.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 90.625 6.352 21.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 90.054 6.350 23.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.995 4.927 22.667 1.00 0.00 H new ATOM 114 N ALA A 8 86.594 2.337 26.511 1.00 0.00 N ATOM 115 CA ALA A 8 85.362 1.543 26.780 1.00 0.00 C ATOM 116 C ALA A 8 84.904 1.754 28.224 1.00 0.00 C ATOM 117 O ALA A 8 83.727 1.690 28.525 1.00 0.00 O ATOM 118 CB ALA A 8 85.657 0.063 26.542 1.00 0.00 C ATOM 0 H ALA A 8 87.445 1.786 26.397 1.00 0.00 H new ATOM 0 HA ALA A 8 84.568 1.872 26.110 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.759 -0.523 26.737 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.969 -0.084 25.508 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.454 -0.261 27.211 1.00 0.00 H new ATOM 124 N GLN A 9 85.816 1.980 29.129 1.00 0.00 N ATOM 125 CA GLN A 9 85.405 2.163 30.549 1.00 0.00 C ATOM 126 C GLN A 9 84.515 3.398 30.667 1.00 0.00 C ATOM 127 O GLN A 9 84.776 4.427 30.078 1.00 0.00 O ATOM 128 CB GLN A 9 86.641 2.337 31.438 1.00 0.00 C ATOM 129 CG GLN A 9 86.211 2.382 32.908 1.00 0.00 C ATOM 130 CD GLN A 9 87.455 2.501 33.794 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.558 2.279 33.336 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.330 2.841 35.048 1.00 0.00 N ATOM 0 H GLN A 9 86.818 2.045 28.950 1.00 0.00 H new ATOM 0 HA GLN A 9 84.854 1.281 30.875 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.337 1.514 31.277 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.166 3.255 31.173 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.546 3.229 33.079 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.653 1.481 33.164 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.405 3.028 35.436 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.157 2.920 35.640 1.00 0.00 H new ATOM 141 N GLU A 10 83.472 3.299 31.436 1.00 0.00 N ATOM 142 CA GLU A 10 82.555 4.457 31.615 1.00 0.00 C ATOM 143 C GLU A 10 81.722 4.234 32.884 1.00 0.00 C ATOM 144 O GLU A 10 81.950 3.298 33.624 1.00 0.00 O ATOM 145 CB GLU A 10 81.630 4.585 30.397 1.00 0.00 C ATOM 146 CG GLU A 10 80.870 3.274 30.186 1.00 0.00 C ATOM 147 CD GLU A 10 79.941 3.406 28.978 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.510 4.511 28.704 1.00 0.00 O ATOM 149 OE2 GLU A 10 79.677 2.396 28.347 1.00 0.00 O ATOM 0 H GLU A 10 83.212 2.459 31.953 1.00 0.00 H new ATOM 0 HA GLU A 10 83.134 5.376 31.710 1.00 0.00 H new ATOM 0 HB2 GLU A 10 80.927 5.404 30.547 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.214 4.825 29.508 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.573 2.456 30.029 1.00 0.00 H new ATOM 0 HG3 GLU A 10 80.291 3.030 31.077 1.00 0.00 H new ATOM 156 N GLU A 11 80.766 5.085 33.148 1.00 0.00 N ATOM 157 CA GLU A 11 79.934 4.917 34.378 1.00 0.00 C ATOM 158 C GLU A 11 79.136 3.611 34.302 1.00 0.00 C ATOM 159 O GLU A 11 78.889 3.077 33.242 1.00 0.00 O ATOM 160 CB GLU A 11 78.970 6.098 34.506 1.00 0.00 C ATOM 161 CG GLU A 11 79.756 7.363 34.872 1.00 0.00 C ATOM 162 CD GLU A 11 78.807 8.563 34.931 1.00 0.00 C ATOM 163 OE1 GLU A 11 77.952 8.663 34.065 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.951 9.361 35.840 1.00 0.00 O ATOM 0 H GLU A 11 80.525 5.888 32.567 1.00 0.00 H new ATOM 0 HA GLU A 11 80.589 4.882 35.248 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.435 6.248 33.568 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.221 5.889 35.270 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.249 7.230 35.835 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.539 7.542 34.135 1.00 0.00 H new ATOM 171 N HIS A 12 78.734 3.087 35.429 1.00 0.00 N ATOM 172 CA HIS A 12 77.954 1.818 35.426 1.00 0.00 C ATOM 173 C HIS A 12 76.549 2.101 34.893 1.00 0.00 C ATOM 174 O HIS A 12 75.602 2.241 35.635 1.00 0.00 O ATOM 175 CB HIS A 12 77.876 1.263 36.852 1.00 0.00 C ATOM 176 CG HIS A 12 76.948 0.077 36.900 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.386 -1.222 36.678 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.608 -0.022 37.186 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.327 -2.041 36.843 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.224 -1.358 37.151 1.00 0.00 N ATOM 0 H HIS A 12 78.913 3.484 36.351 1.00 0.00 H new ATOM 0 HA HIS A 12 78.441 1.081 34.788 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.870 0.970 37.191 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.523 2.038 37.533 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.954 0.809 37.404 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.367 -3.115 36.739 1.00 0.00 H new ATOM 0 HE2 HIS A 12 74.293 -1.737 37.325 1.00 0.00 H new ATOM 188 N GLU A 13 76.421 2.195 33.592 1.00 0.00 N ATOM 189 CA GLU A 13 75.093 2.480 32.966 1.00 0.00 C ATOM 190 C GLU A 13 74.477 1.179 32.439 1.00 0.00 C ATOM 191 O GLU A 13 74.853 0.094 32.835 1.00 0.00 O ATOM 192 CB GLU A 13 75.300 3.448 31.807 1.00 0.00 C ATOM 193 CG GLU A 13 75.798 4.783 32.352 1.00 0.00 C ATOM 194 CD GLU A 13 76.054 5.740 31.189 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.462 5.270 30.142 1.00 0.00 O ATOM 196 OE2 GLU A 13 75.839 6.926 31.372 1.00 0.00 O ATOM 0 H GLU A 13 77.189 2.085 32.930 1.00 0.00 H new ATOM 0 HA GLU A 13 74.422 2.916 33.706 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.021 3.038 31.100 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.366 3.589 31.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.061 5.209 33.033 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.713 4.636 32.925 1.00 0.00 H new ATOM 203 N LYS A 14 73.531 1.283 31.545 1.00 0.00 N ATOM 204 CA LYS A 14 72.887 0.057 30.989 1.00 0.00 C ATOM 205 C LYS A 14 73.874 -0.680 30.087 1.00 0.00 C ATOM 206 O LYS A 14 73.792 -1.878 29.904 1.00 0.00 O ATOM 207 CB LYS A 14 71.668 0.445 30.158 1.00 0.00 C ATOM 208 CG LYS A 14 70.577 0.980 31.084 1.00 0.00 C ATOM 209 CD LYS A 14 69.358 1.363 30.250 1.00 0.00 C ATOM 210 CE LYS A 14 68.259 1.891 31.173 1.00 0.00 C ATOM 211 NZ LYS A 14 68.705 3.170 31.784 1.00 0.00 N ATOM 0 H LYS A 14 73.176 2.165 31.175 1.00 0.00 H new ATOM 0 HA LYS A 14 72.585 -0.586 31.816 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.941 1.202 29.423 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.300 -0.419 29.605 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.306 0.224 31.821 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.943 1.846 31.635 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.629 2.123 29.517 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.997 0.498 29.694 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.338 2.045 30.610 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.039 1.160 31.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.879 3.690 32.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.356 2.971 32.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.193 3.745 31.068 1.00 0.00 H new ATOM 225 N TYR A 15 74.808 0.028 29.522 1.00 0.00 N ATOM 226 CA TYR A 15 75.789 -0.627 28.614 1.00 0.00 C ATOM 227 C TYR A 15 76.561 -1.690 29.400 1.00 0.00 C ATOM 228 O TYR A 15 76.882 -2.738 28.875 1.00 0.00 O ATOM 229 CB TYR A 15 76.757 0.419 28.051 1.00 0.00 C ATOM 230 CG TYR A 15 76.085 1.167 26.922 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.268 2.267 27.199 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.286 0.760 25.595 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.654 2.964 26.152 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.669 1.454 24.551 1.00 0.00 C ATOM 235 CZ TYR A 15 74.851 2.558 24.829 1.00 0.00 C ATOM 236 OH TYR A 15 74.255 3.249 23.795 1.00 0.00 O ATOM 0 H TYR A 15 74.936 1.032 29.649 1.00 0.00 H new ATOM 0 HA TYR A 15 75.264 -1.098 27.783 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.056 1.114 28.836 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.665 -0.065 27.692 1.00 0.00 H new ATOM 0 HD1 TYR A 15 75.111 2.579 28.221 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.917 -0.089 25.380 1.00 0.00 H new ATOM 0 HE1 TYR A 15 74.027 3.817 26.367 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.822 1.140 23.529 1.00 0.00 H new ATOM 0 HH TYR A 15 74.498 2.834 22.941 1.00 0.00 H new ATOM 246 N HIS A 16 76.849 -1.449 30.651 1.00 0.00 N ATOM 247 CA HIS A 16 77.585 -2.483 31.432 1.00 0.00 C ATOM 248 C HIS A 16 76.743 -3.770 31.459 1.00 0.00 C ATOM 249 O HIS A 16 77.266 -4.861 31.331 1.00 0.00 O ATOM 250 CB HIS A 16 77.822 -1.989 32.875 1.00 0.00 C ATOM 251 CG HIS A 16 78.998 -1.041 32.926 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.734 -0.835 34.091 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.584 -0.248 31.970 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.708 0.050 33.805 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.660 0.435 32.528 1.00 0.00 N ATOM 0 H HIS A 16 76.611 -0.597 31.158 1.00 0.00 H new ATOM 0 HA HIS A 16 78.551 -2.676 30.966 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.928 -1.488 33.245 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.005 -2.840 33.531 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.259 -0.167 30.943 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.437 0.404 34.519 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.282 1.093 32.059 1.00 0.00 H new ATOM 263 N SER A 17 75.443 -3.661 31.602 1.00 0.00 N ATOM 264 CA SER A 17 74.590 -4.889 31.613 1.00 0.00 C ATOM 265 C SER A 17 74.756 -5.629 30.281 1.00 0.00 C ATOM 266 O SER A 17 74.975 -6.826 30.243 1.00 0.00 O ATOM 267 CB SER A 17 73.121 -4.489 31.798 1.00 0.00 C ATOM 268 OG SER A 17 72.656 -3.852 30.616 1.00 0.00 O ATOM 0 H SER A 17 74.940 -2.780 31.711 1.00 0.00 H new ATOM 0 HA SER A 17 74.893 -5.540 32.433 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.516 -5.370 32.012 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.019 -3.818 32.651 1.00 0.00 H new ATOM 0 HG SER A 17 72.979 -2.927 30.594 1.00 0.00 H new ATOM 274 N ASN A 18 74.665 -4.921 29.181 1.00 0.00 N ATOM 275 CA ASN A 18 74.830 -5.573 27.843 1.00 0.00 C ATOM 276 C ASN A 18 76.295 -5.451 27.394 1.00 0.00 C ATOM 277 O ASN A 18 76.653 -4.539 26.671 1.00 0.00 O ATOM 278 CB ASN A 18 73.934 -4.871 26.821 1.00 0.00 C ATOM 279 CG ASN A 18 72.469 -5.168 27.138 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.161 -6.155 27.777 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.542 -4.352 26.713 1.00 0.00 N ATOM 0 H ASN A 18 74.483 -3.918 29.152 1.00 0.00 H new ATOM 0 HA ASN A 18 74.552 -6.625 27.915 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.111 -3.796 26.844 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.176 -5.212 25.814 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.561 -4.543 26.917 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.799 -3.523 26.177 1.00 0.00 H new ATOM 288 N TRP A 19 77.136 -6.363 27.797 1.00 0.00 N ATOM 289 CA TRP A 19 78.571 -6.306 27.382 1.00 0.00 C ATOM 290 C TRP A 19 78.690 -6.627 25.883 1.00 0.00 C ATOM 291 O TRP A 19 79.629 -6.228 25.222 1.00 0.00 O ATOM 292 CB TRP A 19 79.389 -7.313 28.193 1.00 0.00 C ATOM 293 CG TRP A 19 78.903 -8.700 27.920 1.00 0.00 C ATOM 294 CD1 TRP A 19 78.016 -9.373 28.681 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.262 -9.589 26.824 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.811 -10.624 28.129 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.555 -10.804 26.983 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.123 -9.461 25.723 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.699 -11.858 26.077 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.269 -10.514 24.809 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.559 -11.713 24.989 1.00 0.00 C ATOM 0 H TRP A 19 76.892 -7.150 28.399 1.00 0.00 H new ATOM 0 HA TRP A 19 78.956 -5.303 27.567 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.444 -7.230 27.934 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.304 -7.091 29.257 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.543 -8.996 29.576 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.186 -11.328 28.522 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.677 -8.545 25.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.149 -12.777 26.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.930 -10.403 23.962 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.679 -12.523 24.284 1.00 0.00 H new ATOM 312 N ARG A 20 77.749 -7.363 25.355 1.00 0.00 N ATOM 313 CA ARG A 20 77.799 -7.737 23.908 1.00 0.00 C ATOM 314 C ARG A 20 77.762 -6.480 23.040 1.00 0.00 C ATOM 315 O ARG A 20 78.456 -6.378 22.046 1.00 0.00 O ATOM 316 CB ARG A 20 76.564 -8.574 23.594 1.00 0.00 C ATOM 317 CG ARG A 20 76.651 -9.910 24.334 1.00 0.00 C ATOM 318 CD ARG A 20 75.378 -10.718 24.078 1.00 0.00 C ATOM 319 NE ARG A 20 75.473 -12.032 24.769 1.00 0.00 N ATOM 320 CZ ARG A 20 74.406 -12.756 24.942 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.250 -12.335 24.510 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.494 -13.909 25.544 1.00 0.00 N ATOM 0 H ARG A 20 76.943 -7.724 25.865 1.00 0.00 H new ATOM 0 HA ARG A 20 78.716 -8.290 23.703 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.663 -8.038 23.893 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.491 -8.745 22.520 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.524 -10.469 23.996 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.777 -9.738 25.403 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.508 -10.169 24.438 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.240 -10.868 23.007 1.00 0.00 H new ATOM 0 HE ARG A 20 76.376 -12.366 25.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.180 -11.435 24.035 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.416 -12.905 24.647 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.398 -14.242 25.878 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.659 -14.478 25.681 1.00 0.00 H new ATOM 336 N ALA A 21 76.954 -5.526 23.402 1.00 0.00 N ATOM 337 CA ALA A 21 76.871 -4.275 22.595 1.00 0.00 C ATOM 338 C ALA A 21 78.245 -3.610 22.574 1.00 0.00 C ATOM 339 O ALA A 21 78.705 -3.126 21.563 1.00 0.00 O ATOM 340 CB ALA A 21 75.859 -3.315 23.228 1.00 0.00 C ATOM 0 H ALA A 21 76.347 -5.556 24.221 1.00 0.00 H new ATOM 0 HA ALA A 21 76.553 -4.516 21.581 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.802 -2.403 22.634 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.878 -3.789 23.259 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.175 -3.069 24.242 1.00 0.00 H new ATOM 346 N MET A 22 78.898 -3.574 23.702 1.00 0.00 N ATOM 347 CA MET A 22 80.231 -2.928 23.766 1.00 0.00 C ATOM 348 C MET A 22 81.230 -3.717 22.920 1.00 0.00 C ATOM 349 O MET A 22 82.048 -3.155 22.216 1.00 0.00 O ATOM 350 CB MET A 22 80.687 -2.902 25.226 1.00 0.00 C ATOM 351 CG MET A 22 82.034 -2.189 25.332 1.00 0.00 C ATOM 352 SD MET A 22 82.489 -2.004 27.076 1.00 0.00 S ATOM 353 CE MET A 22 82.636 -3.762 27.490 1.00 0.00 C ATOM 0 H MET A 22 78.562 -3.966 24.582 1.00 0.00 H new ATOM 0 HA MET A 22 80.174 -1.911 23.377 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.945 -2.391 25.840 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.772 -3.919 25.609 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.800 -2.757 24.804 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.977 -1.211 24.855 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.147 -3.869 28.447 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.642 -4.204 27.558 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.207 -4.272 26.714 1.00 0.00 H new ATOM 363 N ALA A 23 81.157 -5.013 22.967 1.00 0.00 N ATOM 364 CA ALA A 23 82.096 -5.844 22.167 1.00 0.00 C ATOM 365 C ALA A 23 81.862 -5.580 20.680 1.00 0.00 C ATOM 366 O ALA A 23 82.789 -5.506 19.899 1.00 0.00 O ATOM 367 CB ALA A 23 81.847 -7.316 22.483 1.00 0.00 C ATOM 0 H ALA A 23 80.485 -5.537 23.527 1.00 0.00 H new ATOM 0 HA ALA A 23 83.127 -5.590 22.415 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.531 -7.934 21.901 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.013 -7.493 23.546 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.819 -7.574 22.228 1.00 0.00 H new ATOM 373 N SER A 24 80.630 -5.465 20.275 1.00 0.00 N ATOM 374 CA SER A 24 80.351 -5.209 18.838 1.00 0.00 C ATOM 375 C SER A 24 80.803 -3.796 18.456 1.00 0.00 C ATOM 376 O SER A 24 81.338 -3.575 17.390 1.00 0.00 O ATOM 377 CB SER A 24 78.854 -5.376 18.565 1.00 0.00 C ATOM 378 OG SER A 24 78.582 -5.037 17.213 1.00 0.00 O ATOM 0 H SER A 24 79.808 -5.537 20.874 1.00 0.00 H new ATOM 0 HA SER A 24 80.906 -5.927 18.234 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.549 -6.404 18.762 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.277 -4.738 19.235 1.00 0.00 H new ATOM 0 HG SER A 24 77.624 -5.145 17.035 1.00 0.00 H new ATOM 384 N ASP A 25 80.577 -2.830 19.312 1.00 0.00 N ATOM 385 CA ASP A 25 80.982 -1.431 18.974 1.00 0.00 C ATOM 386 C ASP A 25 82.498 -1.350 18.780 1.00 0.00 C ATOM 387 O ASP A 25 82.977 -0.680 17.886 1.00 0.00 O ATOM 388 CB ASP A 25 80.560 -0.475 20.100 1.00 0.00 C ATOM 389 CG ASP A 25 79.040 -0.331 20.099 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.496 -0.003 19.057 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.443 -0.544 21.142 1.00 0.00 O ATOM 0 H ASP A 25 80.133 -2.948 20.223 1.00 0.00 H new ATOM 0 HA ASP A 25 80.487 -1.141 18.047 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.900 -0.857 21.063 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.029 0.499 19.960 1.00 0.00 H new ATOM 396 N PHE A 26 83.258 -2.038 19.592 1.00 0.00 N ATOM 397 CA PHE A 26 84.749 -2.002 19.453 1.00 0.00 C ATOM 398 C PHE A 26 85.235 -3.255 18.718 1.00 0.00 C ATOM 399 O PHE A 26 86.416 -3.428 18.483 1.00 0.00 O ATOM 400 CB PHE A 26 85.380 -1.947 20.843 1.00 0.00 C ATOM 401 CG PHE A 26 85.115 -0.587 21.443 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.956 -0.362 22.196 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.025 0.453 21.233 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.710 0.904 22.737 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.780 1.718 21.777 1.00 0.00 C ATOM 406 CZ PHE A 26 84.621 1.945 22.528 1.00 0.00 C ATOM 0 H PHE A 26 82.911 -2.626 20.349 1.00 0.00 H new ATOM 0 HA PHE A 26 85.039 -1.121 18.881 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.962 -2.728 21.478 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.453 -2.129 20.778 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.253 -1.165 22.359 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.918 0.280 20.650 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.816 1.078 23.317 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.485 2.520 21.617 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.430 2.923 22.946 1.00 0.00 H new ATOM 416 N ASN A 27 84.334 -4.121 18.345 1.00 0.00 N ATOM 417 CA ASN A 27 84.729 -5.363 17.610 1.00 0.00 C ATOM 418 C ASN A 27 85.784 -6.136 18.397 1.00 0.00 C ATOM 419 O ASN A 27 86.772 -6.586 17.852 1.00 0.00 O ATOM 420 CB ASN A 27 85.279 -5.004 16.229 1.00 0.00 C ATOM 421 CG ASN A 27 84.138 -4.462 15.372 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.997 -4.836 15.556 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.394 -3.582 14.446 1.00 0.00 N ATOM 0 H ASN A 27 83.333 -4.024 18.517 1.00 0.00 H new ATOM 0 HA ASN A 27 83.845 -5.990 17.493 1.00 0.00 H new ATOM 0 HB2 ASN A 27 86.070 -4.259 16.319 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.720 -5.882 15.758 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.636 -3.207 13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.352 -3.268 14.292 1.00 0.00 H new ATOM 430 N LEU A 28 85.571 -6.304 19.675 1.00 0.00 N ATOM 431 CA LEU A 28 86.539 -7.065 20.525 1.00 0.00 C ATOM 432 C LEU A 28 85.841 -8.337 21.017 1.00 0.00 C ATOM 433 O LEU A 28 84.635 -8.355 21.170 1.00 0.00 O ATOM 434 CB LEU A 28 86.925 -6.203 21.731 1.00 0.00 C ATOM 435 CG LEU A 28 87.814 -5.027 21.285 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.790 -3.932 22.354 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.267 -5.494 21.097 1.00 0.00 C ATOM 0 H LEU A 28 84.758 -5.943 20.174 1.00 0.00 H new ATOM 0 HA LEU A 28 87.434 -7.319 19.957 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.027 -5.824 22.218 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.454 -6.810 22.466 1.00 0.00 H new ATOM 0 HG LEU A 28 87.430 -4.643 20.340 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.419 -3.100 22.037 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.767 -3.581 22.492 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.166 -4.334 23.295 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.882 -4.651 20.782 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.647 -5.888 22.039 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.303 -6.274 20.336 1.00 0.00 H new ATOM 449 N PRO A 29 86.579 -9.391 21.283 1.00 0.00 N ATOM 450 CA PRO A 29 85.985 -10.665 21.777 1.00 0.00 C ATOM 451 C PRO A 29 85.476 -10.494 23.211 1.00 0.00 C ATOM 452 O PRO A 29 85.898 -9.600 23.918 1.00 0.00 O ATOM 453 CB PRO A 29 87.152 -11.666 21.722 1.00 0.00 C ATOM 454 CG PRO A 29 88.381 -10.820 21.839 1.00 0.00 C ATOM 455 CD PRO A 29 88.046 -9.500 21.140 1.00 0.00 C ATOM 0 HA PRO A 29 85.129 -10.993 21.187 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.091 -12.391 22.534 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.147 -12.230 20.790 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.643 -10.654 22.884 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.236 -11.305 21.369 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.558 -8.658 21.607 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.346 -9.514 20.092 1.00 0.00 H new ATOM 463 N PRO A 30 84.573 -11.327 23.644 1.00 0.00 N ATOM 464 CA PRO A 30 84.009 -11.237 25.017 1.00 0.00 C ATOM 465 C PRO A 30 85.114 -11.204 26.077 1.00 0.00 C ATOM 466 O PRO A 30 84.907 -10.767 27.189 1.00 0.00 O ATOM 467 CB PRO A 30 83.142 -12.511 25.163 1.00 0.00 C ATOM 468 CG PRO A 30 83.480 -13.377 23.983 1.00 0.00 C ATOM 469 CD PRO A 30 83.997 -12.445 22.889 1.00 0.00 C ATOM 0 HA PRO A 30 83.435 -10.322 25.162 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.358 -13.025 26.099 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.081 -12.262 25.174 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.235 -14.117 24.250 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.602 -13.926 23.641 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.743 -12.934 22.263 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.195 -12.114 22.230 1.00 0.00 H new ATOM 477 N VAL A 31 86.283 -11.675 25.751 1.00 0.00 N ATOM 478 CA VAL A 31 87.375 -11.681 26.759 1.00 0.00 C ATOM 479 C VAL A 31 87.606 -10.264 27.281 1.00 0.00 C ATOM 480 O VAL A 31 87.563 -10.016 28.473 1.00 0.00 O ATOM 481 CB VAL A 31 88.662 -12.199 26.103 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.832 -12.101 27.083 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.483 -13.654 25.682 1.00 0.00 C ATOM 0 H VAL A 31 86.528 -12.054 24.836 1.00 0.00 H new ATOM 0 HA VAL A 31 87.097 -12.328 27.591 1.00 0.00 H new ATOM 0 HB VAL A 31 88.873 -11.587 25.226 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.739 -12.472 26.605 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.975 -11.061 27.376 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.617 -12.701 27.968 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.401 -14.014 25.217 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.258 -14.261 26.559 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.662 -13.728 24.969 1.00 0.00 H new ATOM 493 N VAL A 32 87.841 -9.332 26.403 1.00 0.00 N ATOM 494 CA VAL A 32 88.069 -7.929 26.848 1.00 0.00 C ATOM 495 C VAL A 32 86.777 -7.377 27.442 1.00 0.00 C ATOM 496 O VAL A 32 86.780 -6.749 28.483 1.00 0.00 O ATOM 497 CB VAL A 32 88.488 -7.070 25.653 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.615 -5.610 26.092 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.834 -7.559 25.118 1.00 0.00 C ATOM 0 H VAL A 32 87.885 -9.480 25.395 1.00 0.00 H new ATOM 0 HA VAL A 32 88.859 -7.909 27.599 1.00 0.00 H new ATOM 0 HB VAL A 32 87.735 -7.150 24.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.913 -4.999 25.240 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.655 -5.259 26.472 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.367 -5.530 26.877 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.131 -6.946 24.267 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.587 -7.481 25.902 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.744 -8.599 24.803 1.00 0.00 H new ATOM 509 N ALA A 33 85.674 -7.604 26.793 1.00 0.00 N ATOM 510 CA ALA A 33 84.388 -7.091 27.334 1.00 0.00 C ATOM 511 C ALA A 33 84.097 -7.746 28.692 1.00 0.00 C ATOM 512 O ALA A 33 83.753 -7.082 29.645 1.00 0.00 O ATOM 513 CB ALA A 33 83.254 -7.387 26.346 1.00 0.00 C ATOM 0 H ALA A 33 85.606 -8.120 25.916 1.00 0.00 H new ATOM 0 HA ALA A 33 84.460 -6.012 27.473 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.314 -7.009 26.747 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.464 -6.899 25.394 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.176 -8.463 26.193 1.00 0.00 H new ATOM 519 N LYS A 34 84.229 -9.047 28.796 1.00 0.00 N ATOM 520 CA LYS A 34 83.951 -9.715 30.101 1.00 0.00 C ATOM 521 C LYS A 34 84.926 -9.222 31.176 1.00 0.00 C ATOM 522 O LYS A 34 84.550 -9.029 32.317 1.00 0.00 O ATOM 523 CB LYS A 34 84.068 -11.235 29.939 1.00 0.00 C ATOM 524 CG LYS A 34 82.877 -11.733 29.119 1.00 0.00 C ATOM 525 CD LYS A 34 82.984 -13.250 28.928 1.00 0.00 C ATOM 526 CE LYS A 34 81.791 -13.769 28.101 1.00 0.00 C ATOM 527 NZ LYS A 34 80.761 -14.322 29.021 1.00 0.00 N ATOM 0 H LYS A 34 84.515 -9.668 28.039 1.00 0.00 H new ATOM 0 HA LYS A 34 82.938 -9.465 30.415 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.003 -11.491 29.441 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.084 -11.719 30.915 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.944 -11.485 29.626 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.856 -11.235 28.150 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.919 -13.495 28.424 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.006 -13.745 29.899 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.367 -12.961 27.505 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.124 -14.538 27.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.954 -14.674 28.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.171 -15.104 29.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.438 -13.576 29.669 1.00 0.00 H new ATOM 541 N GLU A 35 86.166 -9.006 30.836 1.00 0.00 N ATOM 542 CA GLU A 35 87.130 -8.540 31.871 1.00 0.00 C ATOM 543 C GLU A 35 86.682 -7.187 32.422 1.00 0.00 C ATOM 544 O GLU A 35 86.764 -6.940 33.608 1.00 0.00 O ATOM 545 CB GLU A 35 88.524 -8.392 31.253 1.00 0.00 C ATOM 546 CG GLU A 35 89.583 -8.301 32.366 1.00 0.00 C ATOM 547 CD GLU A 35 89.576 -6.896 32.978 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.688 -5.940 32.224 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.467 -6.802 34.191 1.00 0.00 O ATOM 0 H GLU A 35 86.550 -9.130 29.899 1.00 0.00 H new ATOM 0 HA GLU A 35 87.163 -9.272 32.678 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.736 -9.243 30.605 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.562 -7.499 30.629 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.378 -9.044 33.137 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.570 -8.526 31.961 1.00 0.00 H new ATOM 556 N ILE A 36 86.192 -6.313 31.583 1.00 0.00 N ATOM 557 CA ILE A 36 85.736 -4.989 32.092 1.00 0.00 C ATOM 558 C ILE A 36 84.601 -5.225 33.087 1.00 0.00 C ATOM 559 O ILE A 36 84.511 -4.579 34.111 1.00 0.00 O ATOM 560 CB ILE A 36 85.251 -4.113 30.932 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.440 -3.803 30.010 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.687 -2.803 31.494 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.952 -3.141 28.718 1.00 0.00 C ATOM 0 H ILE A 36 86.089 -6.457 30.578 1.00 0.00 H new ATOM 0 HA ILE A 36 86.561 -4.473 32.582 1.00 0.00 H new ATOM 0 HB ILE A 36 84.475 -4.633 30.370 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.143 -3.145 30.521 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.977 -4.722 29.775 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.340 -2.175 30.674 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.853 -3.022 32.161 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.466 -2.279 32.048 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.805 -2.927 28.074 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.267 -3.813 28.201 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.436 -2.211 28.958 1.00 0.00 H new ATOM 575 N VAL A 37 83.737 -6.156 32.790 1.00 0.00 N ATOM 576 CA VAL A 37 82.609 -6.462 33.716 1.00 0.00 C ATOM 577 C VAL A 37 83.174 -6.990 35.035 1.00 0.00 C ATOM 578 O VAL A 37 82.692 -6.667 36.104 1.00 0.00 O ATOM 579 CB VAL A 37 81.711 -7.529 33.068 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.696 -8.075 34.088 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.964 -6.905 31.885 1.00 0.00 C ATOM 0 H VAL A 37 83.764 -6.721 31.941 1.00 0.00 H new ATOM 0 HA VAL A 37 82.024 -5.563 33.910 1.00 0.00 H new ATOM 0 HB VAL A 37 82.334 -8.354 32.723 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.070 -8.829 33.610 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.228 -8.524 34.927 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.070 -7.260 34.450 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.325 -7.656 31.421 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.351 -6.076 32.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.684 -6.538 31.153 1.00 0.00 H new ATOM 591 N ALA A 38 84.190 -7.803 34.960 1.00 0.00 N ATOM 592 CA ALA A 38 84.796 -8.371 36.198 1.00 0.00 C ATOM 593 C ALA A 38 85.477 -7.253 36.985 1.00 0.00 C ATOM 594 O ALA A 38 85.536 -7.282 38.199 1.00 0.00 O ATOM 595 CB ALA A 38 85.829 -9.440 35.822 1.00 0.00 C ATOM 0 H ALA A 38 84.630 -8.101 34.089 1.00 0.00 H new ATOM 0 HA ALA A 38 84.017 -8.825 36.810 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.271 -9.854 36.728 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.341 -10.236 35.260 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.611 -8.991 35.210 1.00 0.00 H new ATOM 601 N SER A 39 85.986 -6.262 36.310 1.00 0.00 N ATOM 602 CA SER A 39 86.653 -5.144 37.029 1.00 0.00 C ATOM 603 C SER A 39 85.596 -4.324 37.764 1.00 0.00 C ATOM 604 O SER A 39 85.808 -3.861 38.868 1.00 0.00 O ATOM 605 CB SER A 39 87.378 -4.248 36.025 1.00 0.00 C ATOM 606 OG SER A 39 88.427 -4.983 35.410 1.00 0.00 O ATOM 0 H SER A 39 85.969 -6.178 35.294 1.00 0.00 H new ATOM 0 HA SER A 39 87.374 -5.546 37.741 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.679 -3.889 35.270 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.781 -3.370 36.529 1.00 0.00 H new ATOM 0 HG SER A 39 88.050 -5.741 34.917 1.00 0.00 H new ATOM 612 N CYS A 40 84.454 -4.147 37.169 1.00 0.00 N ATOM 613 CA CYS A 40 83.390 -3.364 37.847 1.00 0.00 C ATOM 614 C CYS A 40 82.790 -4.212 38.973 1.00 0.00 C ATOM 615 O CYS A 40 82.102 -5.186 38.738 1.00 0.00 O ATOM 616 CB CYS A 40 82.303 -2.999 36.834 1.00 0.00 C ATOM 617 SG CYS A 40 81.184 -1.772 37.561 1.00 0.00 S ATOM 0 H CYS A 40 84.212 -4.509 36.247 1.00 0.00 H new ATOM 0 HA CYS A 40 83.809 -2.448 38.264 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.756 -2.600 35.926 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.745 -3.890 36.547 1.00 0.00 H new ATOM 622 N ASP A 41 83.054 -3.849 40.198 1.00 0.00 N ATOM 623 CA ASP A 41 82.518 -4.627 41.348 1.00 0.00 C ATOM 624 C ASP A 41 80.990 -4.628 41.291 1.00 0.00 C ATOM 625 O ASP A 41 80.348 -5.613 41.592 1.00 0.00 O ATOM 626 CB ASP A 41 82.978 -3.984 42.659 1.00 0.00 C ATOM 627 CG ASP A 41 84.485 -4.193 42.842 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.866 -5.268 43.280 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.229 -3.275 42.542 1.00 0.00 O ATOM 0 H ASP A 41 83.622 -3.041 40.452 1.00 0.00 H new ATOM 0 HA ASP A 41 82.886 -5.652 41.298 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.748 -2.919 42.652 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.437 -4.421 43.498 1.00 0.00 H new ATOM 634 N LYS A 42 80.400 -3.532 40.925 1.00 0.00 N ATOM 635 CA LYS A 42 78.917 -3.477 40.876 1.00 0.00 C ATOM 636 C LYS A 42 78.379 -4.543 39.912 1.00 0.00 C ATOM 637 O LYS A 42 77.371 -5.168 40.172 1.00 0.00 O ATOM 638 CB LYS A 42 78.488 -2.105 40.355 1.00 0.00 C ATOM 639 CG LYS A 42 78.794 -1.009 41.389 1.00 0.00 C ATOM 640 CD LYS A 42 77.729 -1.000 42.499 1.00 0.00 C ATOM 641 CE LYS A 42 77.879 0.259 43.358 1.00 0.00 C ATOM 642 NZ LYS A 42 76.667 0.411 44.213 1.00 0.00 N ATOM 0 H LYS A 42 80.878 -2.672 40.658 1.00 0.00 H new ATOM 0 HA LYS A 42 78.524 -3.654 41.877 1.00 0.00 H new ATOM 0 HB2 LYS A 42 79.007 -1.886 39.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.421 -2.113 40.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.779 -1.177 41.824 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.824 -0.036 40.898 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.732 -1.033 42.059 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.832 -1.889 43.121 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.771 0.186 43.980 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.004 1.136 42.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.761 1.264 44.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.825 0.497 43.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.569 -0.422 44.827 1.00 0.00 H new ATOM 656 N CYS A 43 79.028 -4.744 38.794 1.00 0.00 N ATOM 657 CA CYS A 43 78.530 -5.758 37.818 1.00 0.00 C ATOM 658 C CYS A 43 78.943 -7.178 38.245 1.00 0.00 C ATOM 659 O CYS A 43 78.269 -8.146 37.948 1.00 0.00 O ATOM 660 CB CYS A 43 79.134 -5.488 36.441 1.00 0.00 C ATOM 661 SG CYS A 43 78.775 -3.800 35.912 1.00 0.00 S ATOM 0 H CYS A 43 79.877 -4.252 38.516 1.00 0.00 H new ATOM 0 HA CYS A 43 77.443 -5.685 37.786 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.212 -5.643 36.474 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.732 -6.196 35.716 1.00 0.00 H new ATOM 666 N GLN A 44 80.068 -7.307 38.898 1.00 0.00 N ATOM 667 CA GLN A 44 80.552 -8.666 39.295 1.00 0.00 C ATOM 668 C GLN A 44 79.657 -9.294 40.367 1.00 0.00 C ATOM 669 O GLN A 44 79.127 -10.372 40.180 1.00 0.00 O ATOM 670 CB GLN A 44 81.984 -8.546 39.824 1.00 0.00 C ATOM 671 CG GLN A 44 82.499 -9.929 40.235 1.00 0.00 C ATOM 672 CD GLN A 44 83.968 -9.814 40.639 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.760 -9.042 39.946 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.400 -10.432 41.591 1.00 0.00 N ATOM 0 H GLN A 44 80.673 -6.533 39.174 1.00 0.00 H new ATOM 0 HA GLN A 44 80.521 -9.313 38.419 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.631 -8.119 39.057 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.011 -7.868 40.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.910 -10.319 41.065 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.390 -10.632 39.409 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.780 -11.035 42.132 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.383 -10.348 41.850 1.00 0.00 H new ATOM 683 N LEU A 45 79.490 -8.659 41.488 1.00 0.00 N ATOM 684 CA LEU A 45 78.632 -9.259 42.556 1.00 0.00 C ATOM 685 C LEU A 45 77.149 -9.020 42.217 1.00 0.00 C ATOM 686 O LEU A 45 76.710 -7.895 42.113 1.00 0.00 O ATOM 687 CB LEU A 45 78.962 -8.600 43.904 1.00 0.00 C ATOM 688 CG LEU A 45 80.441 -8.816 44.258 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.767 -8.046 45.544 1.00 0.00 C ATOM 690 CD2 LEU A 45 80.729 -10.316 44.466 1.00 0.00 C ATOM 0 H LEU A 45 79.905 -7.756 41.716 1.00 0.00 H new ATOM 0 HA LEU A 45 78.822 -10.331 42.618 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.745 -7.533 43.857 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.329 -9.020 44.686 1.00 0.00 H new ATOM 0 HG LEU A 45 81.062 -8.452 43.439 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.816 -8.195 45.801 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.579 -6.984 45.390 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.139 -8.412 46.356 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.781 -10.453 44.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.110 -10.696 45.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.500 -10.861 43.550 1.00 0.00 H new ATOM 702 N LYS A 46 76.372 -10.068 42.052 1.00 0.00 N ATOM 703 CA LYS A 46 74.914 -9.888 41.729 1.00 0.00 C ATOM 704 C LYS A 46 74.079 -9.947 43.017 1.00 0.00 C ATOM 705 O LYS A 46 74.148 -10.901 43.766 1.00 0.00 O ATOM 706 CB LYS A 46 74.455 -11.010 40.777 1.00 0.00 C ATOM 707 CG LYS A 46 72.953 -10.886 40.459 1.00 0.00 C ATOM 708 CD LYS A 46 72.664 -9.581 39.706 1.00 0.00 C ATOM 709 CE LYS A 46 71.289 -9.679 39.047 1.00 0.00 C ATOM 710 NZ LYS A 46 70.944 -8.380 38.406 1.00 0.00 N ATOM 0 H LYS A 46 76.682 -11.037 42.126 1.00 0.00 H new ATOM 0 HA LYS A 46 74.774 -8.918 41.252 1.00 0.00 H new ATOM 0 HB2 LYS A 46 75.031 -10.965 39.853 1.00 0.00 H new ATOM 0 HB3 LYS A 46 74.655 -11.981 41.230 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.632 -11.737 39.858 1.00 0.00 H new ATOM 0 HG3 LYS A 46 72.377 -10.913 41.384 1.00 0.00 H new ATOM 0 HD2 LYS A 46 72.692 -8.736 40.394 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.431 -9.404 38.952 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.288 -10.474 38.302 1.00 0.00 H new ATOM 0 HE3 LYS A 46 70.536 -9.939 39.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 70.008 -8.451 37.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 70.927 -7.631 39.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 71.656 -8.149 37.684 1.00 0.00 H new ATOM 724 N GLY A 47 73.276 -8.942 43.270 1.00 0.00 N ATOM 725 CA GLY A 47 72.422 -8.955 44.501 1.00 0.00 C ATOM 726 C GLY A 47 73.302 -8.832 45.746 1.00 0.00 C ATOM 727 O GLY A 47 72.878 -9.121 46.845 1.00 0.00 O ATOM 0 H GLY A 47 73.174 -8.116 42.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 71.708 -8.133 44.467 1.00 0.00 H new ATOM 0 HA3 GLY A 47 71.844 -9.878 44.543 1.00 0.00 H new ATOM 731 N GLU A 48 74.524 -8.410 45.577 1.00 0.00 N ATOM 732 CA GLU A 48 75.448 -8.268 46.742 1.00 0.00 C ATOM 733 C GLU A 48 75.529 -9.598 47.502 1.00 0.00 C ATOM 734 O GLU A 48 75.059 -10.623 47.040 1.00 0.00 O ATOM 735 CB GLU A 48 74.943 -7.171 47.692 1.00 0.00 C ATOM 736 CG GLU A 48 75.040 -5.801 47.015 1.00 0.00 C ATOM 737 CD GLU A 48 74.430 -4.735 47.930 1.00 0.00 C ATOM 738 OE1 GLU A 48 73.300 -4.918 48.346 1.00 0.00 O ATOM 739 OE2 GLU A 48 75.106 -3.755 48.200 1.00 0.00 O ATOM 0 H GLU A 48 74.927 -8.155 44.676 1.00 0.00 H new ATOM 0 HA GLU A 48 76.436 -7.994 46.373 1.00 0.00 H new ATOM 0 HB2 GLU A 48 73.910 -7.372 47.976 1.00 0.00 H new ATOM 0 HB3 GLU A 48 75.532 -7.174 48.609 1.00 0.00 H new ATOM 0 HG2 GLU A 48 76.082 -5.561 46.804 1.00 0.00 H new ATOM 0 HG3 GLU A 48 74.516 -5.818 46.059 1.00 0.00 H new ATOM 746 N ALA A 49 76.125 -9.586 48.668 1.00 0.00 N ATOM 747 CA ALA A 49 76.255 -10.838 49.471 1.00 0.00 C ATOM 748 C ALA A 49 74.884 -11.263 50.005 1.00 0.00 C ATOM 749 O ALA A 49 74.007 -10.448 50.216 1.00 0.00 O ATOM 750 CB ALA A 49 77.201 -10.593 50.648 1.00 0.00 C ATOM 0 H ALA A 49 76.530 -8.755 49.100 1.00 0.00 H new ATOM 0 HA ALA A 49 76.654 -11.628 48.835 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.296 -11.507 51.235 1.00 0.00 H new ATOM 0 HB2 ALA A 49 78.181 -10.299 50.272 1.00 0.00 H new ATOM 0 HB3 ALA A 49 76.801 -9.798 51.277 1.00 0.00 H new ATOM 756 N MET A 50 74.696 -12.534 50.215 1.00 0.00 N ATOM 757 CA MET A 50 73.387 -13.020 50.723 1.00 0.00 C ATOM 758 C MET A 50 73.299 -12.767 52.228 1.00 0.00 C ATOM 759 O MET A 50 74.158 -13.166 52.989 1.00 0.00 O ATOM 760 CB MET A 50 73.278 -14.518 50.458 1.00 0.00 C ATOM 761 CG MET A 50 73.177 -14.761 48.950 1.00 0.00 C ATOM 762 SD MET A 50 74.765 -14.395 48.163 1.00 0.00 S ATOM 763 CE MET A 50 74.109 -13.909 46.549 1.00 0.00 C ATOM 0 H MET A 50 75.395 -13.259 50.056 1.00 0.00 H new ATOM 0 HA MET A 50 72.577 -12.493 50.218 1.00 0.00 H new ATOM 0 HB2 MET A 50 74.148 -15.035 50.863 1.00 0.00 H new ATOM 0 HB3 MET A 50 72.402 -14.925 50.963 1.00 0.00 H new ATOM 0 HG2 MET A 50 72.895 -15.796 48.757 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.395 -14.133 48.523 1.00 0.00 H new ATOM 0 HE1 MET A 50 74.932 -13.636 45.889 1.00 0.00 H new ATOM 0 HE2 MET A 50 73.556 -14.742 46.115 1.00 0.00 H new ATOM 0 HE3 MET A 50 73.442 -13.055 46.669 1.00 0.00 H new ATOM 773 N HIS A 51 72.267 -12.104 52.661 1.00 0.00 N ATOM 774 CA HIS A 51 72.121 -11.812 54.114 1.00 0.00 C ATOM 775 C HIS A 51 70.647 -11.573 54.434 1.00 0.00 C ATOM 776 O HIS A 51 69.874 -11.186 53.586 1.00 0.00 O ATOM 777 CB HIS A 51 72.934 -10.559 54.444 1.00 0.00 C ATOM 778 CG HIS A 51 72.745 -10.189 55.889 1.00 0.00 C ATOM 779 ND1 HIS A 51 73.219 -10.975 56.928 1.00 0.00 N ATOM 780 CD2 HIS A 51 72.129 -9.115 56.482 1.00 0.00 C ATOM 781 CE1 HIS A 51 72.883 -10.370 58.082 1.00 0.00 C ATOM 782 NE2 HIS A 51 72.219 -9.236 57.865 1.00 0.00 N ATOM 0 H HIS A 51 71.515 -11.750 52.070 1.00 0.00 H new ATOM 0 HA HIS A 51 72.483 -12.652 54.707 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.990 -10.737 54.241 1.00 0.00 H new ATOM 0 HB3 HIS A 51 72.621 -9.734 53.805 1.00 0.00 H new ATOM 0 HD2 HIS A 51 71.649 -8.303 55.957 1.00 0.00 H new ATOM 0 HE1 HIS A 51 73.122 -10.756 59.062 1.00 0.00 H new ATOM 0 HE2 HIS A 51 71.853 -8.591 58.566 1.00 0.00 H new ATOM 790 N GLY A 52 70.253 -11.789 55.658 1.00 0.00 N ATOM 791 CA GLY A 52 68.833 -11.556 56.030 1.00 0.00 C ATOM 792 C GLY A 52 67.964 -12.732 55.577 1.00 0.00 C ATOM 793 O GLY A 52 66.762 -12.613 55.463 1.00 0.00 O ATOM 0 H GLY A 52 70.853 -12.116 56.415 1.00 0.00 H new ATOM 0 HA2 GLY A 52 68.749 -11.428 57.109 1.00 0.00 H new ATOM 0 HA3 GLY A 52 68.477 -10.634 55.571 1.00 0.00 H new ATOM 797 N GLN A 53 68.552 -13.867 55.324 1.00 0.00 N ATOM 798 CA GLN A 53 67.740 -15.041 54.889 1.00 0.00 C ATOM 799 C GLN A 53 67.164 -15.740 56.123 1.00 0.00 C ATOM 800 O GLN A 53 66.645 -16.838 56.048 1.00 0.00 O ATOM 801 CB GLN A 53 68.619 -16.013 54.091 1.00 0.00 C ATOM 802 CG GLN A 53 68.973 -15.390 52.738 1.00 0.00 C ATOM 803 CD GLN A 53 69.891 -16.343 51.973 1.00 0.00 C ATOM 804 OE1 GLN A 53 70.611 -17.115 52.572 1.00 0.00 O ATOM 805 NE2 GLN A 53 69.899 -16.327 50.668 1.00 0.00 N ATOM 0 H GLN A 53 69.555 -14.034 55.399 1.00 0.00 H new ATOM 0 HA GLN A 53 66.922 -14.706 54.251 1.00 0.00 H new ATOM 0 HB2 GLN A 53 69.528 -16.239 54.648 1.00 0.00 H new ATOM 0 HB3 GLN A 53 68.094 -16.956 53.942 1.00 0.00 H new ATOM 0 HG2 GLN A 53 68.067 -15.199 52.163 1.00 0.00 H new ATOM 0 HG3 GLN A 53 69.466 -14.429 52.884 1.00 0.00 H new ATOM 0 HE21 GLN A 53 69.295 -15.679 50.162 1.00 0.00 H new ATOM 0 HE22 GLN A 53 70.509 -16.962 50.154 1.00 0.00 H new ATOM 814 N VAL A 54 67.251 -15.102 57.263 1.00 0.00 N ATOM 815 CA VAL A 54 66.710 -15.704 58.523 1.00 0.00 C ATOM 816 C VAL A 54 65.346 -15.087 58.828 1.00 0.00 C ATOM 817 O VAL A 54 65.148 -13.894 58.712 1.00 0.00 O ATOM 818 CB VAL A 54 67.676 -15.411 59.678 1.00 0.00 C ATOM 819 CG1 VAL A 54 67.718 -13.901 59.944 1.00 0.00 C ATOM 820 CG2 VAL A 54 67.213 -16.147 60.947 1.00 0.00 C ATOM 0 H VAL A 54 67.677 -14.182 57.377 1.00 0.00 H new ATOM 0 HA VAL A 54 66.604 -16.782 58.403 1.00 0.00 H new ATOM 0 HB VAL A 54 68.673 -15.759 59.407 1.00 0.00 H new ATOM 0 HG11 VAL A 54 68.405 -13.695 60.765 1.00 0.00 H new ATOM 0 HG12 VAL A 54 68.058 -13.383 59.047 1.00 0.00 H new ATOM 0 HG13 VAL A 54 66.721 -13.550 60.209 1.00 0.00 H new ATOM 0 HG21 VAL A 54 67.903 -15.935 61.763 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.213 -15.808 61.220 1.00 0.00 H new ATOM 0 HG23 VAL A 54 67.194 -17.220 60.758 1.00 0.00 H new ATOM 830 N ASP A 55 64.406 -15.891 59.222 1.00 0.00 N ATOM 831 CA ASP A 55 63.058 -15.356 59.544 1.00 0.00 C ATOM 832 C ASP A 55 62.399 -16.267 60.576 1.00 0.00 C ATOM 833 O ASP A 55 61.881 -15.750 61.547 1.00 0.00 O ATOM 834 CB ASP A 55 62.206 -15.302 58.275 1.00 0.00 C ATOM 835 CG ASP A 55 60.806 -14.801 58.632 1.00 0.00 C ATOM 836 OD1 ASP A 55 60.614 -13.599 58.630 1.00 0.00 O ATOM 837 OD2 ASP A 55 59.956 -15.627 58.915 1.00 0.00 O ATOM 838 OXT ASP A 55 62.428 -17.468 60.378 1.00 0.00 O ATOM 0 H ASP A 55 64.512 -16.899 59.336 1.00 0.00 H new ATOM 0 HA ASP A 55 63.147 -14.348 59.949 1.00 0.00 H new ATOM 0 HB2 ASP A 55 62.666 -14.640 57.541 1.00 0.00 H new ATOM 0 HB3 ASP A 55 62.147 -16.291 57.820 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.952 -14.536 22.110 1.00 0.00 N ATOM 845 CA PHE B 1 92.757 -14.267 22.961 1.00 0.00 C ATOM 846 C PHE B 1 92.135 -15.589 23.419 1.00 0.00 C ATOM 847 O PHE B 1 92.544 -16.178 24.401 1.00 0.00 O ATOM 848 CB PHE B 1 91.717 -13.488 22.150 1.00 0.00 C ATOM 849 CG PHE B 1 92.154 -12.050 21.975 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.108 -11.719 21.003 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.593 -11.049 22.772 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.497 -10.383 20.833 1.00 0.00 C ATOM 853 CE2 PHE B 1 91.981 -9.715 22.605 1.00 0.00 C ATOM 854 CZ PHE B 1 92.932 -9.383 21.635 1.00 0.00 C ATOM 0 H1 PHE B 1 94.156 -13.701 21.524 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.771 -14.741 22.717 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.763 -15.353 21.495 1.00 0.00 H new ATOM 0 HA PHE B 1 93.065 -13.686 23.830 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.583 -13.955 21.174 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.752 -13.523 22.655 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.543 -12.492 20.386 1.00 0.00 H new ATOM 0 HD2 PHE B 1 90.857 -11.306 23.520 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.232 -10.125 20.084 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.547 -8.944 23.224 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.231 -8.354 21.504 1.00 0.00 H new ATOM 866 N LEU B 2 91.128 -16.046 22.716 1.00 0.00 N ATOM 867 CA LEU B 2 90.450 -17.319 23.108 1.00 0.00 C ATOM 868 C LEU B 2 91.440 -18.483 23.053 1.00 0.00 C ATOM 869 O LEU B 2 91.446 -19.348 23.911 1.00 0.00 O ATOM 870 CB LEU B 2 89.309 -17.595 22.128 1.00 0.00 C ATOM 871 CG LEU B 2 88.273 -16.467 22.193 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.218 -16.712 21.106 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.603 -16.437 23.580 1.00 0.00 C ATOM 0 H LEU B 2 90.746 -15.591 21.887 1.00 0.00 H new ATOM 0 HA LEU B 2 90.066 -17.222 24.124 1.00 0.00 H new ATOM 0 HB2 LEU B 2 89.702 -17.680 21.115 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.836 -18.548 22.367 1.00 0.00 H new ATOM 0 HG LEU B 2 88.762 -15.507 22.029 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.472 -15.918 21.138 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.699 -16.720 20.128 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.733 -17.673 21.280 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.870 -15.631 23.612 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.105 -17.389 23.764 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.360 -16.270 24.346 1.00 0.00 H new ATOM 885 N ASP B 3 92.272 -18.513 22.051 1.00 0.00 N ATOM 886 CA ASP B 3 93.263 -19.621 21.929 1.00 0.00 C ATOM 887 C ASP B 3 94.234 -19.587 23.111 1.00 0.00 C ATOM 888 O ASP B 3 94.548 -20.604 23.699 1.00 0.00 O ATOM 889 CB ASP B 3 94.044 -19.440 20.630 1.00 0.00 C ATOM 890 CG ASP B 3 93.140 -19.764 19.437 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.214 -20.535 19.616 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.394 -19.238 18.365 1.00 0.00 O ATOM 0 H ASP B 3 92.310 -17.816 21.307 1.00 0.00 H new ATOM 0 HA ASP B 3 92.741 -20.578 21.925 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.410 -18.416 20.554 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.917 -20.092 20.625 1.00 0.00 H new ATOM 897 N GLY B 4 94.707 -18.423 23.468 1.00 0.00 N ATOM 898 CA GLY B 4 95.654 -18.318 24.617 1.00 0.00 C ATOM 899 C GLY B 4 94.949 -18.789 25.888 1.00 0.00 C ATOM 900 O GLY B 4 95.534 -19.424 26.742 1.00 0.00 O ATOM 0 H GLY B 4 94.478 -17.539 23.013 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.540 -18.925 24.431 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.992 -17.288 24.733 1.00 0.00 H new ATOM 904 N ILE B 5 93.690 -18.468 26.012 1.00 0.00 N ATOM 905 CA ILE B 5 92.916 -18.875 27.219 1.00 0.00 C ATOM 906 C ILE B 5 92.764 -20.397 27.270 1.00 0.00 C ATOM 907 O ILE B 5 92.857 -20.996 28.323 1.00 0.00 O ATOM 908 CB ILE B 5 91.531 -18.206 27.176 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.710 -16.703 27.420 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.615 -18.800 28.254 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.422 -15.946 27.090 1.00 0.00 C ATOM 0 H ILE B 5 93.160 -17.936 25.322 1.00 0.00 H new ATOM 0 HA ILE B 5 93.450 -18.556 28.114 1.00 0.00 H new ATOM 0 HB ILE B 5 91.072 -18.379 26.203 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.984 -16.528 28.460 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.528 -16.325 26.807 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.639 -18.316 28.210 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.497 -19.870 28.082 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.057 -18.637 29.237 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.570 -14.881 27.270 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.165 -16.105 26.043 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.613 -16.312 27.722 1.00 0.00 H new ATOM 923 N ASP B 6 92.529 -21.035 26.155 1.00 0.00 N ATOM 924 CA ASP B 6 92.373 -22.520 26.182 1.00 0.00 C ATOM 925 C ASP B 6 93.649 -23.167 26.719 1.00 0.00 C ATOM 926 O ASP B 6 93.606 -24.039 27.565 1.00 0.00 O ATOM 927 CB ASP B 6 92.083 -23.050 24.774 1.00 0.00 C ATOM 928 CG ASP B 6 90.655 -22.680 24.355 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.758 -22.859 25.163 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.484 -22.223 23.233 1.00 0.00 O ATOM 0 H ASP B 6 92.439 -20.600 25.237 1.00 0.00 H new ATOM 0 HA ASP B 6 91.537 -22.771 26.835 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.798 -22.632 24.065 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.208 -24.133 24.752 1.00 0.00 H new ATOM 935 N LYS B 7 94.791 -22.754 26.244 1.00 0.00 N ATOM 936 CA LYS B 7 96.057 -23.357 26.740 1.00 0.00 C ATOM 937 C LYS B 7 96.288 -22.931 28.189 1.00 0.00 C ATOM 938 O LYS B 7 96.709 -23.710 29.021 1.00 0.00 O ATOM 939 CB LYS B 7 97.225 -22.886 25.872 1.00 0.00 C ATOM 940 CG LYS B 7 98.482 -23.666 26.267 1.00 0.00 C ATOM 941 CD LYS B 7 99.653 -23.353 25.311 1.00 0.00 C ATOM 942 CE LYS B 7 99.590 -24.238 24.053 1.00 0.00 C ATOM 943 NZ LYS B 7 98.505 -23.756 23.160 1.00 0.00 N ATOM 0 H LYS B 7 94.901 -22.028 25.536 1.00 0.00 H new ATOM 0 HA LYS B 7 95.987 -24.444 26.688 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.999 -23.044 24.818 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.387 -21.817 26.006 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.765 -23.413 27.289 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.271 -24.735 26.250 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.621 -22.302 25.023 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.600 -23.513 25.826 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.545 -24.211 23.529 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.410 -25.276 24.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.768 -23.931 22.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.624 -24.263 23.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 98.363 -22.736 23.306 1.00 0.00 H new ATOM 957 N ALA B 8 96.016 -21.698 28.488 1.00 0.00 N ATOM 958 CA ALA B 8 96.207 -21.197 29.878 1.00 0.00 C ATOM 959 C ALA B 8 95.168 -21.819 30.814 1.00 0.00 C ATOM 960 O ALA B 8 95.427 -22.047 31.977 1.00 0.00 O ATOM 961 CB ALA B 8 96.060 -19.677 29.896 1.00 0.00 C ATOM 0 H ALA B 8 95.666 -21.006 27.825 1.00 0.00 H new ATOM 0 HA ALA B 8 97.204 -21.476 30.220 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.200 -19.310 30.913 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.810 -19.231 29.243 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.065 -19.404 29.545 1.00 0.00 H new ATOM 967 N GLN B 9 93.987 -22.077 30.324 1.00 0.00 N ATOM 968 CA GLN B 9 92.936 -22.655 31.204 1.00 0.00 C ATOM 969 C GLN B 9 93.387 -24.015 31.730 1.00 0.00 C ATOM 970 O GLN B 9 93.952 -24.822 31.017 1.00 0.00 O ATOM 971 CB GLN B 9 91.634 -22.803 30.407 1.00 0.00 C ATOM 972 CG GLN B 9 90.499 -23.255 31.334 1.00 0.00 C ATOM 973 CD GLN B 9 89.191 -23.377 30.535 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.095 -22.884 29.432 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.173 -24.017 31.052 1.00 0.00 N ATOM 0 H GLN B 9 93.706 -21.913 29.357 1.00 0.00 H new ATOM 0 HA GLN B 9 92.767 -21.992 32.052 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.375 -21.854 29.938 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.770 -23.528 29.605 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.749 -24.214 31.789 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.374 -22.539 32.147 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.250 -24.433 31.980 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.302 -24.100 30.527 1.00 0.00 H new ATOM 984 N GLU B 10 93.143 -24.262 32.983 1.00 0.00 N ATOM 985 CA GLU B 10 93.548 -25.555 33.592 1.00 0.00 C ATOM 986 C GLU B 10 92.754 -25.770 34.882 1.00 0.00 C ATOM 987 O GLU B 10 91.890 -24.985 35.228 1.00 0.00 O ATOM 988 CB GLU B 10 95.054 -25.535 33.890 1.00 0.00 C ATOM 989 CG GLU B 10 95.388 -24.366 34.821 1.00 0.00 C ATOM 990 CD GLU B 10 96.891 -24.352 35.104 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.490 -25.419 35.083 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.424 -23.280 35.338 1.00 0.00 O ATOM 0 H GLU B 10 92.675 -23.616 33.618 1.00 0.00 H new ATOM 0 HA GLU B 10 93.340 -26.372 32.902 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.354 -26.476 34.352 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.616 -25.442 32.961 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.085 -23.425 34.363 1.00 0.00 H new ATOM 0 HG3 GLU B 10 94.832 -24.460 35.754 1.00 0.00 H new ATOM 999 N GLU B 11 93.031 -26.824 35.597 1.00 0.00 N ATOM 1000 CA GLU B 11 92.288 -27.091 36.861 1.00 0.00 C ATOM 1001 C GLU B 11 92.553 -25.962 37.857 1.00 0.00 C ATOM 1002 O GLU B 11 93.563 -25.286 37.795 1.00 0.00 O ATOM 1003 CB GLU B 11 92.758 -28.421 37.457 1.00 0.00 C ATOM 1004 CG GLU B 11 92.250 -29.586 36.602 1.00 0.00 C ATOM 1005 CD GLU B 11 92.780 -30.905 37.168 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.911 -30.917 37.624 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.046 -31.881 37.134 1.00 0.00 O ATOM 0 H GLU B 11 93.743 -27.515 35.360 1.00 0.00 H new ATOM 0 HA GLU B 11 91.220 -27.145 36.651 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.847 -28.443 37.506 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.391 -28.521 38.478 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.160 -29.595 36.591 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.578 -29.463 35.570 1.00 0.00 H new ATOM 1014 N HIS B 12 91.649 -25.752 38.769 1.00 0.00 N ATOM 1015 CA HIS B 12 91.831 -24.668 39.774 1.00 0.00 C ATOM 1016 C HIS B 12 92.957 -25.047 40.725 1.00 0.00 C ATOM 1017 O HIS B 12 92.732 -25.509 41.825 1.00 0.00 O ATOM 1018 CB HIS B 12 90.531 -24.497 40.555 1.00 0.00 C ATOM 1019 CG HIS B 12 90.726 -23.527 41.689 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.544 -22.159 41.536 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.024 -23.722 43.013 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.725 -21.587 42.747 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.019 -22.500 43.676 1.00 0.00 N ATOM 0 H HIS B 12 90.786 -26.287 38.863 1.00 0.00 H new ATOM 0 HA HIS B 12 92.084 -23.733 39.275 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.745 -24.137 39.891 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.203 -25.461 40.944 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.231 -24.678 43.471 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.642 -20.527 42.939 1.00 0.00 H new ATOM 0 HE2 HIS B 12 91.202 -22.335 44.666 1.00 0.00 H new ATOM 1031 N GLU B 13 94.174 -24.864 40.295 1.00 0.00 N ATOM 1032 CA GLU B 13 95.346 -25.209 41.147 1.00 0.00 C ATOM 1033 C GLU B 13 95.903 -23.940 41.793 1.00 0.00 C ATOM 1034 O GLU B 13 95.242 -22.923 41.861 1.00 0.00 O ATOM 1035 CB GLU B 13 96.415 -25.857 40.279 1.00 0.00 C ATOM 1036 CG GLU B 13 95.877 -27.175 39.720 1.00 0.00 C ATOM 1037 CD GLU B 13 96.893 -27.758 38.742 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.618 -26.983 38.142 1.00 0.00 O ATOM 1039 OE2 GLU B 13 96.933 -28.969 38.612 1.00 0.00 O ATOM 0 H GLU B 13 94.409 -24.485 39.378 1.00 0.00 H new ATOM 0 HA GLU B 13 95.041 -25.902 41.931 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.693 -25.189 39.464 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.316 -26.037 40.865 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.690 -27.879 40.531 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.924 -27.009 39.217 1.00 0.00 H new ATOM 1046 N LYS B 14 97.109 -24.000 42.278 1.00 0.00 N ATOM 1047 CA LYS B 14 97.713 -22.807 42.935 1.00 0.00 C ATOM 1048 C LYS B 14 97.987 -21.733 41.889 1.00 0.00 C ATOM 1049 O LYS B 14 98.019 -20.553 42.182 1.00 0.00 O ATOM 1050 CB LYS B 14 99.030 -23.206 43.588 1.00 0.00 C ATOM 1051 CG LYS B 14 98.759 -24.121 44.778 1.00 0.00 C ATOM 1052 CD LYS B 14 100.089 -24.513 45.422 1.00 0.00 C ATOM 1053 CE LYS B 14 99.830 -25.405 46.634 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.253 -26.704 46.181 1.00 0.00 N ATOM 0 H LYS B 14 97.706 -24.826 42.248 1.00 0.00 H new ATOM 0 HA LYS B 14 97.025 -22.422 43.687 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.666 -23.715 42.864 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.568 -22.317 43.916 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.124 -23.614 45.505 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.222 -25.012 44.452 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.714 -25.038 44.699 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.635 -23.620 45.726 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.759 -25.577 47.177 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.145 -24.911 47.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 99.358 -27.412 46.935 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.244 -26.578 45.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.754 -27.029 45.330 1.00 0.00 H new ATOM 1068 N TYR B 15 98.191 -22.136 40.671 1.00 0.00 N ATOM 1069 CA TYR B 15 98.479 -21.151 39.604 1.00 0.00 C ATOM 1070 C TYR B 15 97.293 -20.191 39.485 1.00 0.00 C ATOM 1071 O TYR B 15 97.470 -19.009 39.247 1.00 0.00 O ATOM 1072 CB TYR B 15 98.702 -21.884 38.278 1.00 0.00 C ATOM 1073 CG TYR B 15 100.106 -22.436 38.240 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.388 -23.676 38.824 1.00 0.00 C ATOM 1075 CD2 TYR B 15 101.127 -21.704 37.626 1.00 0.00 C ATOM 1076 CE1 TYR B 15 101.692 -24.188 38.785 1.00 0.00 C ATOM 1077 CE2 TYR B 15 102.430 -22.210 37.589 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.713 -23.456 38.168 1.00 0.00 C ATOM 1079 OH TYR B 15 103.994 -23.959 38.118 1.00 0.00 O ATOM 0 H TYR B 15 98.170 -23.110 40.369 1.00 0.00 H new ATOM 0 HA TYR B 15 99.379 -20.586 39.847 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.979 -22.692 38.171 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.545 -21.202 37.442 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.601 -24.238 39.305 1.00 0.00 H new ATOM 0 HD2 TYR B 15 100.909 -20.745 37.179 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.909 -25.147 39.231 1.00 0.00 H new ATOM 0 HE2 TYR B 15 103.217 -21.642 37.115 1.00 0.00 H new ATOM 0 HH TYR B 15 104.577 -23.323 37.653 1.00 0.00 H new ATOM 1089 N HIS B 16 96.091 -20.670 39.673 1.00 0.00 N ATOM 1090 CA HIS B 16 94.921 -19.749 39.582 1.00 0.00 C ATOM 1091 C HIS B 16 95.085 -18.660 40.644 1.00 0.00 C ATOM 1092 O HIS B 16 94.798 -17.505 40.402 1.00 0.00 O ATOM 1093 CB HIS B 16 93.606 -20.508 39.835 1.00 0.00 C ATOM 1094 CG HIS B 16 93.167 -21.223 38.586 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.836 -21.560 38.366 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.849 -21.645 37.473 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.762 -22.151 37.162 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.961 -22.230 36.580 1.00 0.00 N ATOM 0 H HIS B 16 95.871 -21.644 39.882 1.00 0.00 H new ATOM 0 HA HIS B 16 94.881 -19.316 38.583 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.742 -21.226 40.644 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.831 -19.811 40.154 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.912 -21.539 37.316 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.847 -22.517 36.720 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.179 -22.635 35.670 1.00 0.00 H new ATOM 1106 N SER B 17 95.545 -19.008 41.821 1.00 0.00 N ATOM 1107 CA SER B 17 95.732 -17.967 42.873 1.00 0.00 C ATOM 1108 C SER B 17 96.759 -16.940 42.389 1.00 0.00 C ATOM 1109 O SER B 17 96.546 -15.749 42.476 1.00 0.00 O ATOM 1110 CB SER B 17 96.224 -18.612 44.170 1.00 0.00 C ATOM 1111 OG SER B 17 97.577 -19.019 44.009 1.00 0.00 O ATOM 0 H SER B 17 95.796 -19.958 42.095 1.00 0.00 H new ATOM 0 HA SER B 17 94.779 -17.474 43.064 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.141 -17.905 44.996 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.601 -19.471 44.422 1.00 0.00 H new ATOM 0 HG SER B 17 97.608 -19.864 43.514 1.00 0.00 H new ATOM 1117 N ASN B 18 97.871 -17.392 41.860 1.00 0.00 N ATOM 1118 CA ASN B 18 98.904 -16.439 41.354 1.00 0.00 C ATOM 1119 C ASN B 18 98.687 -16.194 39.856 1.00 0.00 C ATOM 1120 O ASN B 18 99.285 -16.844 39.019 1.00 0.00 O ATOM 1121 CB ASN B 18 100.296 -17.039 41.578 1.00 0.00 C ATOM 1122 CG ASN B 18 100.619 -17.051 43.076 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.038 -16.304 43.841 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.531 -17.864 43.527 1.00 0.00 N ATOM 0 H ASN B 18 98.106 -18.379 41.758 1.00 0.00 H new ATOM 0 HA ASN B 18 98.822 -15.493 41.889 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.334 -18.053 41.180 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.044 -16.457 41.040 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.758 -17.875 44.521 1.00 0.00 H new ATOM 0 HD22 ASN B 18 102.018 -18.490 42.886 1.00 0.00 H new ATOM 1131 N TRP B 19 97.840 -15.261 39.503 1.00 0.00 N ATOM 1132 CA TRP B 19 97.600 -14.974 38.056 1.00 0.00 C ATOM 1133 C TRP B 19 98.838 -14.306 37.448 1.00 0.00 C ATOM 1134 O TRP B 19 99.082 -14.385 36.263 1.00 0.00 O ATOM 1135 CB TRP B 19 96.374 -14.062 37.896 1.00 0.00 C ATOM 1136 CG TRP B 19 96.625 -12.744 38.554 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.228 -12.413 39.801 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.320 -11.578 38.023 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.629 -11.115 40.073 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.305 -10.558 39.006 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.953 -11.305 36.798 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.900 -9.311 38.776 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.551 -10.057 36.564 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.524 -9.062 37.553 1.00 0.00 C ATOM 0 H TRP B 19 97.305 -14.686 40.153 1.00 0.00 H new ATOM 0 HA TRP B 19 97.409 -15.911 37.533 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.157 -13.914 36.838 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.498 -14.537 38.338 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.685 -13.056 40.478 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.447 -10.631 40.952 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.979 -12.063 36.029 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.876 -8.548 39.540 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.034 -9.862 35.618 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.986 -8.104 37.368 1.00 0.00 H new ATOM 1155 N ARG B 20 99.611 -13.621 38.249 1.00 0.00 N ATOM 1156 CA ARG B 20 100.817 -12.924 37.717 1.00 0.00 C ATOM 1157 C ARG B 20 101.777 -13.931 37.083 1.00 0.00 C ATOM 1158 O ARG B 20 102.354 -13.687 36.041 1.00 0.00 O ATOM 1159 CB ARG B 20 101.534 -12.233 38.873 1.00 0.00 C ATOM 1160 CG ARG B 20 100.668 -11.092 39.402 1.00 0.00 C ATOM 1161 CD ARG B 20 101.352 -10.445 40.604 1.00 0.00 C ATOM 1162 NE ARG B 20 100.493 -9.358 41.142 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.732 -8.881 42.329 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.727 -9.357 43.026 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.983 -7.934 42.821 1.00 0.00 N ATOM 0 H ARG B 20 99.458 -13.514 39.252 1.00 0.00 H new ATOM 0 HA ARG B 20 100.506 -12.200 36.964 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.736 -12.949 39.669 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.497 -11.848 38.539 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.508 -10.351 38.619 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.687 -11.470 39.689 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.536 -11.192 41.376 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.322 -10.044 40.311 1.00 0.00 H new ATOM 0 HE ARG B 20 99.722 -8.989 40.585 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.312 -10.098 42.640 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.920 -8.988 43.957 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.205 -7.563 42.275 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.175 -7.564 43.752 1.00 0.00 H new ATOM 1179 N ALA B 21 101.953 -15.061 37.705 1.00 0.00 N ATOM 1180 CA ALA B 21 102.875 -16.081 37.136 1.00 0.00 C ATOM 1181 C ALA B 21 102.376 -16.493 35.755 1.00 0.00 C ATOM 1182 O ALA B 21 103.143 -16.682 34.831 1.00 0.00 O ATOM 1183 CB ALA B 21 102.892 -17.314 38.048 1.00 0.00 C ATOM 0 H ALA B 21 101.500 -15.323 38.581 1.00 0.00 H new ATOM 0 HA ALA B 21 103.879 -15.664 37.059 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.567 -18.063 37.634 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.235 -17.027 39.042 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.887 -17.729 38.117 1.00 0.00 H new ATOM 1189 N MET B 22 101.093 -16.645 35.618 1.00 0.00 N ATOM 1190 CA MET B 22 100.512 -17.058 34.310 1.00 0.00 C ATOM 1191 C MET B 22 100.722 -15.951 33.280 1.00 0.00 C ATOM 1192 O MET B 22 101.028 -16.203 32.134 1.00 0.00 O ATOM 1193 CB MET B 22 99.021 -17.331 34.487 1.00 0.00 C ATOM 1194 CG MET B 22 98.428 -17.806 33.160 1.00 0.00 C ATOM 1195 SD MET B 22 96.695 -18.292 33.394 1.00 0.00 S ATOM 1196 CE MET B 22 96.040 -16.683 33.909 1.00 0.00 C ATOM 0 H MET B 22 100.412 -16.500 36.363 1.00 0.00 H new ATOM 0 HA MET B 22 101.006 -17.964 33.959 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.868 -18.087 35.257 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.512 -16.427 34.822 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.494 -17.011 32.417 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.002 -18.649 32.777 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.951 -16.702 33.864 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.357 -16.471 34.930 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.417 -15.907 33.243 1.00 0.00 H new ATOM 1206 N ALA B 23 100.541 -14.727 33.681 1.00 0.00 N ATOM 1207 CA ALA B 23 100.724 -13.602 32.723 1.00 0.00 C ATOM 1208 C ALA B 23 102.181 -13.558 32.266 1.00 0.00 C ATOM 1209 O ALA B 23 102.473 -13.325 31.109 1.00 0.00 O ATOM 1210 CB ALA B 23 100.365 -12.290 33.421 1.00 0.00 C ATOM 0 H ALA B 23 100.275 -14.455 34.628 1.00 0.00 H new ATOM 0 HA ALA B 23 100.079 -13.744 31.856 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.496 -11.460 32.726 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.327 -12.326 33.751 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.016 -12.147 34.284 1.00 0.00 H new ATOM 1216 N SER B 24 103.096 -13.778 33.167 1.00 0.00 N ATOM 1217 CA SER B 24 104.534 -13.746 32.793 1.00 0.00 C ATOM 1218 C SER B 24 104.869 -14.941 31.890 1.00 0.00 C ATOM 1219 O SER B 24 105.632 -14.824 30.956 1.00 0.00 O ATOM 1220 CB SER B 24 105.403 -13.797 34.046 1.00 0.00 C ATOM 1221 OG SER B 24 106.773 -13.714 33.669 1.00 0.00 O ATOM 0 H SER B 24 102.908 -13.979 34.149 1.00 0.00 H new ATOM 0 HA SER B 24 104.734 -12.820 32.254 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.147 -12.975 34.714 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.219 -14.722 34.593 1.00 0.00 H new ATOM 0 HG SER B 24 107.335 -13.745 34.471 1.00 0.00 H new ATOM 1227 N ASP B 25 104.331 -16.100 32.178 1.00 0.00 N ATOM 1228 CA ASP B 25 104.654 -17.292 31.335 1.00 0.00 C ATOM 1229 C ASP B 25 104.183 -17.065 29.896 1.00 0.00 C ATOM 1230 O ASP B 25 104.862 -17.416 28.947 1.00 0.00 O ATOM 1231 CB ASP B 25 103.972 -18.542 31.913 1.00 0.00 C ATOM 1232 CG ASP B 25 104.641 -18.913 33.238 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.853 -19.047 33.248 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.934 -19.052 34.222 1.00 0.00 O ATOM 0 H ASP B 25 103.689 -16.272 32.952 1.00 0.00 H new ATOM 0 HA ASP B 25 105.734 -17.439 31.335 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.910 -18.352 32.069 1.00 0.00 H new ATOM 0 HB3 ASP B 25 104.048 -19.371 31.209 1.00 0.00 H new ATOM 1239 N PHE B 26 103.026 -16.480 29.725 1.00 0.00 N ATOM 1240 CA PHE B 26 102.496 -16.224 28.349 1.00 0.00 C ATOM 1241 C PHE B 26 102.770 -14.768 27.949 1.00 0.00 C ATOM 1242 O PHE B 26 102.446 -14.344 26.859 1.00 0.00 O ATOM 1243 CB PHE B 26 100.989 -16.496 28.347 1.00 0.00 C ATOM 1244 CG PHE B 26 100.771 -17.985 28.481 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.745 -18.797 27.341 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.619 -18.555 29.749 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.561 -20.182 27.473 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.439 -19.935 29.882 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.411 -20.749 28.743 1.00 0.00 C ATOM 0 H PHE B 26 102.420 -16.166 30.483 1.00 0.00 H new ATOM 0 HA PHE B 26 102.989 -16.879 27.631 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.507 -15.967 29.169 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.539 -16.129 27.425 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.866 -18.358 26.362 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.641 -17.927 30.628 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.535 -20.810 26.595 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.322 -20.373 30.862 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.273 -21.815 28.845 1.00 0.00 H new ATOM 1259 N ASN B 27 103.381 -14.011 28.824 1.00 0.00 N ATOM 1260 CA ASN B 27 103.705 -12.584 28.506 1.00 0.00 C ATOM 1261 C ASN B 27 102.436 -11.843 28.075 1.00 0.00 C ATOM 1262 O ASN B 27 102.432 -11.108 27.107 1.00 0.00 O ATOM 1263 CB ASN B 27 104.745 -12.524 27.380 1.00 0.00 C ATOM 1264 CG ASN B 27 106.099 -13.028 27.891 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.395 -12.927 29.065 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.944 -13.567 27.052 1.00 0.00 N ATOM 0 H ASN B 27 103.672 -14.321 29.751 1.00 0.00 H new ATOM 0 HA ASN B 27 104.112 -12.107 29.397 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.416 -13.132 26.537 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.842 -11.501 27.017 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.849 -13.901 27.384 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.699 -13.653 26.066 1.00 0.00 H new ATOM 1273 N LEU B 28 101.365 -12.029 28.800 1.00 0.00 N ATOM 1274 CA LEU B 28 100.077 -11.339 28.467 1.00 0.00 C ATOM 1275 C LEU B 28 99.761 -10.350 29.592 1.00 0.00 C ATOM 1276 O LEU B 28 100.143 -10.566 30.725 1.00 0.00 O ATOM 1277 CB LEU B 28 98.959 -12.390 28.384 1.00 0.00 C ATOM 1278 CG LEU B 28 99.141 -13.266 27.129 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.344 -14.568 27.282 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.639 -12.523 25.878 1.00 0.00 C ATOM 0 H LEU B 28 101.324 -12.636 29.619 1.00 0.00 H new ATOM 0 HA LEU B 28 100.156 -10.814 27.515 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.971 -13.015 29.277 1.00 0.00 H new ATOM 0 HB3 LEU B 28 97.988 -11.896 28.354 1.00 0.00 H new ATOM 0 HG LEU B 28 100.202 -13.489 27.018 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.477 -15.183 26.392 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.701 -15.113 28.156 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.287 -14.335 27.407 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.775 -13.155 25.000 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.581 -12.287 25.995 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.205 -11.600 25.751 1.00 0.00 H new ATOM 1292 N PRO B 29 99.064 -9.274 29.301 1.00 0.00 N ATOM 1293 CA PRO B 29 98.708 -8.262 30.339 1.00 0.00 C ATOM 1294 C PRO B 29 97.674 -8.831 31.318 1.00 0.00 C ATOM 1295 O PRO B 29 96.978 -9.776 31.003 1.00 0.00 O ATOM 1296 CB PRO B 29 98.123 -7.099 29.525 1.00 0.00 C ATOM 1297 CG PRO B 29 97.592 -7.737 28.283 1.00 0.00 C ATOM 1298 CD PRO B 29 98.549 -8.892 27.970 1.00 0.00 C ATOM 0 HA PRO B 29 99.558 -7.959 30.950 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.334 -6.587 30.076 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.885 -6.355 29.294 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.575 -8.100 28.433 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.557 -7.023 27.460 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.034 -9.721 27.484 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.352 -8.580 27.302 1.00 0.00 H new ATOM 1306 N PRO B 30 97.579 -8.278 32.496 1.00 0.00 N ATOM 1307 CA PRO B 30 96.618 -8.770 33.521 1.00 0.00 C ATOM 1308 C PRO B 30 95.194 -8.860 32.958 1.00 0.00 C ATOM 1309 O PRO B 30 94.358 -9.564 33.476 1.00 0.00 O ATOM 1310 CB PRO B 30 96.710 -7.730 34.663 1.00 0.00 C ATOM 1311 CG PRO B 30 97.453 -6.560 34.086 1.00 0.00 C ATOM 1312 CD PRO B 30 98.346 -7.126 32.987 1.00 0.00 C ATOM 0 HA PRO B 30 96.857 -9.778 33.860 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.718 -7.434 35.005 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.235 -8.141 35.526 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.762 -5.819 33.684 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.046 -6.059 34.851 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.526 -6.396 32.198 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.320 -7.425 33.373 1.00 0.00 H new ATOM 1320 N VAL B 31 94.909 -8.151 31.907 1.00 0.00 N ATOM 1321 CA VAL B 31 93.535 -8.196 31.339 1.00 0.00 C ATOM 1322 C VAL B 31 93.161 -9.635 30.975 1.00 0.00 C ATOM 1323 O VAL B 31 92.140 -10.143 31.392 1.00 0.00 O ATOM 1324 CB VAL B 31 93.497 -7.332 30.075 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.141 -7.471 29.376 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.738 -5.864 30.443 1.00 0.00 C ATOM 0 H VAL B 31 95.565 -7.543 31.416 1.00 0.00 H new ATOM 0 HA VAL B 31 92.826 -7.821 32.077 1.00 0.00 H new ATOM 0 HB VAL B 31 94.280 -7.670 29.396 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.129 -6.851 28.479 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.979 -8.513 29.099 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.349 -7.148 30.051 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.710 -5.253 29.541 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.962 -5.529 31.132 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.713 -5.764 30.919 1.00 0.00 H new ATOM 1336 N VAL B 32 93.976 -10.294 30.204 1.00 0.00 N ATOM 1337 CA VAL B 32 93.658 -11.702 29.822 1.00 0.00 C ATOM 1338 C VAL B 32 93.750 -12.591 31.060 1.00 0.00 C ATOM 1339 O VAL B 32 92.901 -13.427 31.301 1.00 0.00 O ATOM 1340 CB VAL B 32 94.651 -12.180 28.754 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.423 -13.664 28.460 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.440 -11.377 27.472 1.00 0.00 C ATOM 0 H VAL B 32 94.846 -9.924 29.821 1.00 0.00 H new ATOM 0 HA VAL B 32 92.648 -11.756 29.415 1.00 0.00 H new ATOM 0 HB VAL B 32 95.668 -12.036 29.119 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.131 -13.998 27.701 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.570 -14.242 29.372 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.406 -13.811 28.097 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.144 -11.714 26.711 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.421 -11.524 27.114 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.604 -10.319 27.674 1.00 0.00 H new ATOM 1352 N ALA B 33 94.771 -12.411 31.848 1.00 0.00 N ATOM 1353 CA ALA B 33 94.919 -13.239 33.080 1.00 0.00 C ATOM 1354 C ALA B 33 93.757 -12.960 34.042 1.00 0.00 C ATOM 1355 O ALA B 33 93.149 -13.868 34.569 1.00 0.00 O ATOM 1356 CB ALA B 33 96.259 -12.920 33.751 1.00 0.00 C ATOM 0 H ALA B 33 95.511 -11.726 31.694 1.00 0.00 H new ATOM 0 HA ALA B 33 94.899 -14.296 32.813 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.368 -13.525 34.651 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.073 -13.145 33.062 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.290 -11.864 34.017 1.00 0.00 H new ATOM 1362 N LYS B 34 93.429 -11.713 34.277 1.00 0.00 N ATOM 1363 CA LYS B 34 92.296 -11.400 35.203 1.00 0.00 C ATOM 1364 C LYS B 34 90.987 -11.976 34.651 1.00 0.00 C ATOM 1365 O LYS B 34 90.167 -12.485 35.388 1.00 0.00 O ATOM 1366 CB LYS B 34 92.193 -9.881 35.394 1.00 0.00 C ATOM 1367 CG LYS B 34 93.377 -9.409 36.247 1.00 0.00 C ATOM 1368 CD LYS B 34 93.300 -7.893 36.454 1.00 0.00 C ATOM 1369 CE LYS B 34 94.486 -7.416 37.324 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.033 -7.261 38.739 1.00 0.00 N ATOM 0 H LYS B 34 93.894 -10.902 33.870 1.00 0.00 H new ATOM 0 HA LYS B 34 92.482 -11.860 36.173 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.200 -9.378 34.427 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.252 -9.625 35.880 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.367 -9.917 37.211 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.316 -9.671 35.758 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.318 -7.385 35.490 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.357 -7.631 36.935 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.304 -8.135 37.269 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.869 -6.468 36.947 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.830 -6.940 39.325 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.266 -6.560 38.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.687 -8.175 39.095 1.00 0.00 H new ATOM 1384 N GLU B 35 90.774 -11.900 33.367 1.00 0.00 N ATOM 1385 CA GLU B 35 89.502 -12.439 32.811 1.00 0.00 C ATOM 1386 C GLU B 35 89.407 -13.940 33.093 1.00 0.00 C ATOM 1387 O GLU B 35 88.356 -14.446 33.437 1.00 0.00 O ATOM 1388 CB GLU B 35 89.468 -12.201 31.295 1.00 0.00 C ATOM 1389 CG GLU B 35 88.038 -12.381 30.762 1.00 0.00 C ATOM 1390 CD GLU B 35 87.708 -13.872 30.677 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.397 -14.569 29.951 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.765 -14.291 31.328 1.00 0.00 O ATOM 0 H GLU B 35 91.416 -11.494 32.686 1.00 0.00 H new ATOM 0 HA GLU B 35 88.660 -11.932 33.281 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.824 -11.196 31.069 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.141 -12.898 30.795 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.328 -11.878 31.418 1.00 0.00 H new ATOM 0 HG3 GLU B 35 87.945 -11.921 29.778 1.00 0.00 H new ATOM 1399 N ILE B 36 90.491 -14.660 32.975 1.00 0.00 N ATOM 1400 CA ILE B 36 90.424 -16.116 33.256 1.00 0.00 C ATOM 1401 C ILE B 36 90.014 -16.303 34.719 1.00 0.00 C ATOM 1402 O ILE B 36 89.226 -17.162 35.055 1.00 0.00 O ATOM 1403 CB ILE B 36 91.784 -16.767 33.001 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.123 -16.663 31.504 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.694 -18.240 33.394 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.572 -17.110 31.256 1.00 0.00 C ATOM 0 H ILE B 36 91.407 -14.305 32.700 1.00 0.00 H new ATOM 0 HA ILE B 36 89.694 -16.590 32.600 1.00 0.00 H new ATOM 0 HB ILE B 36 92.557 -16.267 33.584 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.439 -17.283 30.925 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.988 -15.636 31.164 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.656 -18.723 33.219 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.435 -18.320 34.450 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.928 -18.730 32.794 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.800 -17.032 30.193 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.251 -16.472 31.821 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.694 -18.144 31.578 1.00 0.00 H new ATOM 1418 N VAL B 37 90.533 -15.482 35.590 1.00 0.00 N ATOM 1419 CA VAL B 37 90.167 -15.579 37.032 1.00 0.00 C ATOM 1420 C VAL B 37 88.670 -15.289 37.184 1.00 0.00 C ATOM 1421 O VAL B 37 87.980 -15.919 37.963 1.00 0.00 O ATOM 1422 CB VAL B 37 90.993 -14.562 37.834 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.444 -14.444 39.264 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.455 -15.027 37.885 1.00 0.00 C ATOM 0 H VAL B 37 91.199 -14.743 35.364 1.00 0.00 H new ATOM 0 HA VAL B 37 90.378 -16.579 37.410 1.00 0.00 H new ATOM 0 HB VAL B 37 90.930 -13.588 37.349 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.037 -13.720 39.823 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.406 -14.113 39.229 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.498 -15.415 39.756 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.046 -14.308 38.453 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.510 -16.003 38.367 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.849 -15.100 36.871 1.00 0.00 H new ATOM 1434 N ALA B 38 88.168 -14.330 36.452 1.00 0.00 N ATOM 1435 CA ALA B 38 86.720 -13.980 36.539 1.00 0.00 C ATOM 1436 C ALA B 38 85.876 -15.125 35.976 1.00 0.00 C ATOM 1437 O ALA B 38 84.754 -15.348 36.384 1.00 0.00 O ATOM 1438 CB ALA B 38 86.452 -12.704 35.730 1.00 0.00 C ATOM 0 H ALA B 38 88.705 -13.769 35.791 1.00 0.00 H new ATOM 0 HA ALA B 38 86.453 -13.814 37.583 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.394 -12.448 35.794 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.048 -11.885 36.133 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.723 -12.871 34.687 1.00 0.00 H new ATOM 1444 N SER B 39 86.408 -15.854 35.035 1.00 0.00 N ATOM 1445 CA SER B 39 85.641 -16.981 34.441 1.00 0.00 C ATOM 1446 C SER B 39 85.557 -18.112 35.457 1.00 0.00 C ATOM 1447 O SER B 39 84.550 -18.788 35.570 1.00 0.00 O ATOM 1448 CB SER B 39 86.353 -17.480 33.182 1.00 0.00 C ATOM 1449 OG SER B 39 86.266 -16.489 32.169 1.00 0.00 O ATOM 0 H SER B 39 87.343 -15.717 34.652 1.00 0.00 H new ATOM 0 HA SER B 39 84.638 -16.644 34.177 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.398 -17.699 33.404 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.899 -18.409 32.838 1.00 0.00 H new ATOM 0 HG SER B 39 86.782 -15.700 32.438 1.00 0.00 H new ATOM 1455 N CYS B 40 86.600 -18.321 36.210 1.00 0.00 N ATOM 1456 CA CYS B 40 86.567 -19.407 37.227 1.00 0.00 C ATOM 1457 C CYS B 40 85.714 -18.955 38.410 1.00 0.00 C ATOM 1458 O CYS B 40 86.094 -18.088 39.174 1.00 0.00 O ATOM 1459 CB CYS B 40 87.988 -19.712 37.696 1.00 0.00 C ATOM 1460 SG CYS B 40 87.989 -21.225 38.685 1.00 0.00 S ATOM 0 H CYS B 40 87.470 -17.790 36.166 1.00 0.00 H new ATOM 0 HA CYS B 40 86.137 -20.309 36.792 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.649 -19.827 36.837 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.374 -18.880 38.285 1.00 0.00 H new ATOM 1465 N ASP B 41 84.564 -19.535 38.569 1.00 0.00 N ATOM 1466 CA ASP B 41 83.676 -19.143 39.694 1.00 0.00 C ATOM 1467 C ASP B 41 84.393 -19.379 41.022 1.00 0.00 C ATOM 1468 O ASP B 41 84.254 -18.616 41.957 1.00 0.00 O ATOM 1469 CB ASP B 41 82.397 -19.975 39.655 1.00 0.00 C ATOM 1470 CG ASP B 41 81.535 -19.547 38.466 1.00 0.00 C ATOM 1471 OD1 ASP B 41 80.899 -18.511 38.565 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.525 -20.260 37.475 1.00 0.00 O ATOM 0 H ASP B 41 84.196 -20.270 37.964 1.00 0.00 H new ATOM 0 HA ASP B 41 83.425 -18.087 39.599 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.644 -21.034 39.574 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.841 -19.847 40.584 1.00 0.00 H new ATOM 1477 N LYS B 42 85.141 -20.440 41.126 1.00 0.00 N ATOM 1478 CA LYS B 42 85.841 -20.729 42.406 1.00 0.00 C ATOM 1479 C LYS B 42 86.782 -19.571 42.771 1.00 0.00 C ATOM 1480 O LYS B 42 86.889 -19.195 43.922 1.00 0.00 O ATOM 1481 CB LYS B 42 86.671 -22.010 42.254 1.00 0.00 C ATOM 1482 CG LYS B 42 85.762 -23.246 42.134 1.00 0.00 C ATOM 1483 CD LYS B 42 85.260 -23.685 43.518 1.00 0.00 C ATOM 1484 CE LYS B 42 84.570 -25.046 43.407 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.326 -25.588 44.774 1.00 0.00 N ATOM 0 H LYS B 42 85.298 -21.119 40.381 1.00 0.00 H new ATOM 0 HA LYS B 42 85.097 -20.852 43.193 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.305 -21.934 41.371 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.333 -22.123 43.113 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.913 -23.019 41.489 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.310 -24.063 41.664 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.095 -23.745 44.216 1.00 0.00 H new ATOM 0 HD3 LYS B 42 84.565 -22.945 43.915 1.00 0.00 H new ATOM 0 HE2 LYS B 42 83.627 -24.946 42.870 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.191 -25.736 42.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.857 -26.513 44.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 85.233 -25.697 45.271 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.718 -24.932 45.304 1.00 0.00 H new ATOM 1499 N CYS B 43 87.471 -19.008 41.810 1.00 0.00 N ATOM 1500 CA CYS B 43 88.408 -17.884 42.127 1.00 0.00 C ATOM 1501 C CYS B 43 87.642 -16.560 42.277 1.00 0.00 C ATOM 1502 O CYS B 43 88.061 -15.672 42.992 1.00 0.00 O ATOM 1503 CB CYS B 43 89.425 -17.709 40.995 1.00 0.00 C ATOM 1504 SG CYS B 43 90.280 -19.264 40.665 1.00 0.00 S ATOM 0 H CYS B 43 87.427 -19.275 40.826 1.00 0.00 H new ATOM 0 HA CYS B 43 88.912 -18.130 43.061 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.918 -17.368 40.093 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.149 -16.940 41.264 1.00 0.00 H new ATOM 1509 N GLN B 44 86.559 -16.397 41.567 1.00 0.00 N ATOM 1510 CA GLN B 44 85.810 -15.105 41.630 1.00 0.00 C ATOM 1511 C GLN B 44 85.165 -14.881 43.005 1.00 0.00 C ATOM 1512 O GLN B 44 85.441 -13.902 43.668 1.00 0.00 O ATOM 1513 CB GLN B 44 84.730 -15.108 40.545 1.00 0.00 C ATOM 1514 CG GLN B 44 83.945 -13.793 40.591 1.00 0.00 C ATOM 1515 CD GLN B 44 82.942 -13.767 39.442 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.817 -13.340 39.605 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.306 -14.221 38.273 1.00 0.00 N ATOM 0 H GLN B 44 86.159 -17.100 40.946 1.00 0.00 H new ATOM 0 HA GLN B 44 86.516 -14.291 41.466 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.188 -15.235 39.564 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.055 -15.951 40.693 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.426 -13.699 41.545 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.627 -12.946 40.514 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.251 -14.579 38.137 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.645 -14.217 37.496 1.00 0.00 H new ATOM 1526 N LEU B 45 84.301 -15.759 43.430 1.00 0.00 N ATOM 1527 CA LEU B 45 83.640 -15.566 44.759 1.00 0.00 C ATOM 1528 C LEU B 45 84.620 -15.958 45.869 1.00 0.00 C ATOM 1529 O LEU B 45 85.069 -17.082 45.934 1.00 0.00 O ATOM 1530 CB LEU B 45 82.398 -16.462 44.836 1.00 0.00 C ATOM 1531 CG LEU B 45 81.413 -16.093 43.720 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.222 -17.061 43.756 1.00 0.00 C ATOM 1533 CD2 LEU B 45 80.913 -14.649 43.903 1.00 0.00 C ATOM 0 H LEU B 45 84.022 -16.598 42.922 1.00 0.00 H new ATOM 0 HA LEU B 45 83.348 -14.523 44.881 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.689 -17.509 44.744 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.918 -16.349 45.808 1.00 0.00 H new ATOM 0 HG LEU B 45 81.920 -16.167 42.758 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.519 -16.802 42.964 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.577 -18.081 43.607 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.723 -16.988 44.722 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.215 -14.402 43.103 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.410 -14.557 44.865 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.760 -13.964 43.870 1.00 0.00 H new ATOM 1545 N LYS B 46 84.962 -15.047 46.750 1.00 0.00 N ATOM 1546 CA LYS B 46 85.915 -15.389 47.854 1.00 0.00 C ATOM 1547 C LYS B 46 85.127 -15.769 49.116 1.00 0.00 C ATOM 1548 O LYS B 46 84.293 -15.018 49.577 1.00 0.00 O ATOM 1549 CB LYS B 46 86.812 -14.176 48.137 1.00 0.00 C ATOM 1550 CG LYS B 46 87.762 -14.455 49.321 1.00 0.00 C ATOM 1551 CD LYS B 46 88.756 -15.573 48.971 1.00 0.00 C ATOM 1552 CE LYS B 46 89.911 -15.558 49.977 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.806 -16.724 49.731 1.00 0.00 N ATOM 0 H LYS B 46 84.624 -14.085 46.752 1.00 0.00 H new ATOM 0 HA LYS B 46 86.535 -16.235 47.559 1.00 0.00 H new ATOM 0 HB2 LYS B 46 87.394 -13.935 47.248 1.00 0.00 H new ATOM 0 HB3 LYS B 46 86.194 -13.306 48.359 1.00 0.00 H new ATOM 0 HG2 LYS B 46 88.306 -13.546 49.579 1.00 0.00 H new ATOM 0 HG3 LYS B 46 87.182 -14.739 50.199 1.00 0.00 H new ATOM 0 HD2 LYS B 46 88.254 -16.540 48.991 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.138 -15.432 47.960 1.00 0.00 H new ATOM 0 HE2 LYS B 46 90.474 -14.629 49.885 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.521 -15.595 50.994 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.589 -16.711 50.415 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 90.265 -17.606 49.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 91.189 -16.670 48.766 1.00 0.00 H new ATOM 1567 N GLY B 47 85.396 -16.912 49.697 1.00 0.00 N ATOM 1568 CA GLY B 47 84.671 -17.306 50.942 1.00 0.00 C ATOM 1569 C GLY B 47 83.197 -17.558 50.620 1.00 0.00 C ATOM 1570 O GLY B 47 82.353 -17.560 51.495 1.00 0.00 O ATOM 0 H GLY B 47 86.084 -17.587 49.363 1.00 0.00 H new ATOM 0 HA2 GLY B 47 85.119 -18.204 51.367 1.00 0.00 H new ATOM 0 HA3 GLY B 47 84.761 -16.520 51.691 1.00 0.00 H new ATOM 1574 N GLU B 48 82.886 -17.769 49.373 1.00 0.00 N ATOM 1575 CA GLU B 48 81.466 -18.021 48.982 1.00 0.00 C ATOM 1576 C GLU B 48 80.574 -16.896 49.512 1.00 0.00 C ATOM 1577 O GLU B 48 81.048 -15.866 49.952 1.00 0.00 O ATOM 1578 CB GLU B 48 80.992 -19.360 49.564 1.00 0.00 C ATOM 1579 CG GLU B 48 81.694 -20.517 48.852 1.00 0.00 C ATOM 1580 CD GLU B 48 81.388 -21.818 49.595 1.00 0.00 C ATOM 1581 OE1 GLU B 48 81.533 -21.831 50.810 1.00 0.00 O ATOM 1582 OE2 GLU B 48 81.008 -22.780 48.940 1.00 0.00 O ATOM 0 H GLU B 48 83.554 -17.778 48.602 1.00 0.00 H new ATOM 0 HA GLU B 48 81.401 -18.056 47.894 1.00 0.00 H new ATOM 0 HB2 GLU B 48 81.204 -19.397 50.632 1.00 0.00 H new ATOM 0 HB3 GLU B 48 79.912 -19.454 49.450 1.00 0.00 H new ATOM 0 HG2 GLU B 48 81.354 -20.585 47.819 1.00 0.00 H new ATOM 0 HG3 GLU B 48 82.770 -20.344 48.823 1.00 0.00 H new ATOM 1589 N ALA B 49 79.281 -17.092 49.474 1.00 0.00 N ATOM 1590 CA ALA B 49 78.347 -16.043 49.975 1.00 0.00 C ATOM 1591 C ALA B 49 78.398 -15.989 51.501 1.00 0.00 C ATOM 1592 O ALA B 49 78.687 -16.967 52.159 1.00 0.00 O ATOM 1593 CB ALA B 49 76.918 -16.360 49.532 1.00 0.00 C ATOM 0 H ALA B 49 78.832 -17.935 49.117 1.00 0.00 H new ATOM 0 HA ALA B 49 78.649 -15.080 49.564 1.00 0.00 H new ATOM 0 HB1 ALA B 49 76.243 -15.589 49.902 1.00 0.00 H new ATOM 0 HB2 ALA B 49 76.873 -16.390 48.443 1.00 0.00 H new ATOM 0 HB3 ALA B 49 76.619 -17.328 49.934 1.00 0.00 H new ATOM 1599 N MET B 50 78.131 -14.843 52.063 1.00 0.00 N ATOM 1600 CA MET B 50 78.173 -14.706 53.544 1.00 0.00 C ATOM 1601 C MET B 50 76.929 -15.336 54.167 1.00 0.00 C ATOM 1602 O MET B 50 75.814 -15.036 53.795 1.00 0.00 O ATOM 1603 CB MET B 50 78.222 -13.221 53.893 1.00 0.00 C ATOM 1604 CG MET B 50 79.570 -12.644 53.445 1.00 0.00 C ATOM 1605 SD MET B 50 79.616 -12.521 51.638 1.00 0.00 S ATOM 1606 CE MET B 50 81.397 -12.784 51.433 1.00 0.00 C ATOM 0 H MET B 50 77.885 -13.992 51.557 1.00 0.00 H new ATOM 0 HA MET B 50 79.054 -15.215 53.934 1.00 0.00 H new ATOM 0 HB2 MET B 50 77.405 -12.692 53.402 1.00 0.00 H new ATOM 0 HB3 MET B 50 78.092 -13.083 54.966 1.00 0.00 H new ATOM 0 HG2 MET B 50 79.720 -11.660 53.889 1.00 0.00 H new ATOM 0 HG3 MET B 50 80.383 -13.280 53.796 1.00 0.00 H new ATOM 0 HE1 MET B 50 81.651 -12.747 50.374 1.00 0.00 H new ATOM 0 HE2 MET B 50 81.943 -12.005 51.964 1.00 0.00 H new ATOM 0 HE3 MET B 50 81.670 -13.759 51.838 1.00 0.00 H new ATOM 1616 N HIS B 51 77.112 -16.209 55.115 1.00 0.00 N ATOM 1617 CA HIS B 51 75.939 -16.861 55.754 1.00 0.00 C ATOM 1618 C HIS B 51 76.331 -17.413 57.124 1.00 0.00 C ATOM 1619 O HIS B 51 77.482 -17.706 57.384 1.00 0.00 O ATOM 1620 CB HIS B 51 75.456 -18.000 54.855 1.00 0.00 C ATOM 1621 CG HIS B 51 74.331 -18.726 55.522 1.00 0.00 C ATOM 1622 ND1 HIS B 51 73.096 -18.135 55.722 1.00 0.00 N ATOM 1623 CD2 HIS B 51 74.227 -19.998 56.023 1.00 0.00 C ATOM 1624 CE1 HIS B 51 72.303 -19.043 56.319 1.00 0.00 C ATOM 1625 NE2 HIS B 51 72.946 -20.195 56.523 1.00 0.00 N ATOM 0 H HIS B 51 78.022 -16.499 55.474 1.00 0.00 H new ATOM 0 HA HIS B 51 75.141 -16.131 55.887 1.00 0.00 H new ATOM 0 HB2 HIS B 51 75.127 -17.604 53.894 1.00 0.00 H new ATOM 0 HB3 HIS B 51 76.276 -18.689 54.652 1.00 0.00 H new ATOM 0 HD2 HIS B 51 75.018 -20.733 56.028 1.00 0.00 H new ATOM 0 HE1 HIS B 51 71.275 -18.863 56.598 1.00 0.00 H new ATOM 0 HE2 HIS B 51 72.575 -21.041 56.955 1.00 0.00 H new ATOM 1633 N GLY B 52 75.381 -17.557 58.006 1.00 0.00 N ATOM 1634 CA GLY B 52 75.700 -18.095 59.355 1.00 0.00 C ATOM 1635 C GLY B 52 76.339 -17.004 60.214 1.00 0.00 C ATOM 1636 O GLY B 52 77.039 -17.285 61.167 1.00 0.00 O ATOM 0 H GLY B 52 74.400 -17.325 57.850 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.792 -18.461 59.834 1.00 0.00 H new ATOM 0 HA3 GLY B 52 76.378 -18.944 59.266 1.00 0.00 H new ATOM 1640 N GLN B 53 76.099 -15.757 59.890 1.00 0.00 N ATOM 1641 CA GLN B 53 76.684 -14.648 60.700 1.00 0.00 C ATOM 1642 C GLN B 53 75.761 -14.349 61.880 1.00 0.00 C ATOM 1643 O GLN B 53 75.927 -13.370 62.583 1.00 0.00 O ATOM 1644 CB GLN B 53 76.847 -13.394 59.833 1.00 0.00 C ATOM 1645 CG GLN B 53 77.976 -13.619 58.825 1.00 0.00 C ATOM 1646 CD GLN B 53 78.117 -12.394 57.918 1.00 0.00 C ATOM 1647 OE1 GLN B 53 77.161 -11.678 57.687 1.00 0.00 O ATOM 1648 NE2 GLN B 53 79.283 -12.117 57.400 1.00 0.00 N ATOM 0 H GLN B 53 75.524 -15.461 59.101 1.00 0.00 H new ATOM 0 HA GLN B 53 77.665 -14.946 61.070 1.00 0.00 H new ATOM 0 HB2 GLN B 53 75.916 -13.176 59.310 1.00 0.00 H new ATOM 0 HB3 GLN B 53 77.071 -12.531 60.460 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.913 -13.803 59.351 1.00 0.00 H new ATOM 0 HG3 GLN B 53 77.768 -14.505 58.225 1.00 0.00 H new ATOM 0 HE21 GLN B 53 80.083 -12.718 57.595 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.393 -11.299 56.801 1.00 0.00 H new ATOM 1657 N VAL B 54 74.787 -15.194 62.098 1.00 0.00 N ATOM 1658 CA VAL B 54 73.828 -14.984 63.230 1.00 0.00 C ATOM 1659 C VAL B 54 74.229 -15.881 64.405 1.00 0.00 C ATOM 1660 O VAL B 54 74.565 -17.036 64.230 1.00 0.00 O ATOM 1661 CB VAL B 54 72.411 -15.339 62.766 1.00 0.00 C ATOM 1662 CG1 VAL B 54 72.342 -16.824 62.394 1.00 0.00 C ATOM 1663 CG2 VAL B 54 71.405 -15.040 63.889 1.00 0.00 C ATOM 0 H VAL B 54 74.611 -16.028 61.537 1.00 0.00 H new ATOM 0 HA VAL B 54 73.853 -13.941 63.547 1.00 0.00 H new ATOM 0 HB VAL B 54 72.162 -14.738 61.891 1.00 0.00 H new ATOM 0 HG11 VAL B 54 71.332 -17.070 62.065 1.00 0.00 H new ATOM 0 HG12 VAL B 54 73.047 -17.030 61.588 1.00 0.00 H new ATOM 0 HG13 VAL B 54 72.598 -17.429 63.264 1.00 0.00 H new ATOM 0 HG21 VAL B 54 70.399 -15.294 63.554 1.00 0.00 H new ATOM 0 HG22 VAL B 54 71.655 -15.633 64.769 1.00 0.00 H new ATOM 0 HG23 VAL B 54 71.446 -13.981 64.142 1.00 0.00 H new ATOM 1673 N ASP B 55 74.202 -15.356 65.604 1.00 0.00 N ATOM 1674 CA ASP B 55 74.584 -16.173 66.797 1.00 0.00 C ATOM 1675 C ASP B 55 73.849 -15.646 68.031 1.00 0.00 C ATOM 1676 O ASP B 55 73.233 -16.445 68.721 1.00 0.00 O ATOM 1677 CB ASP B 55 76.100 -16.065 67.009 1.00 0.00 C ATOM 1678 CG ASP B 55 76.522 -16.865 68.245 1.00 0.00 C ATOM 1679 OD1 ASP B 55 76.528 -16.298 69.325 1.00 0.00 O ATOM 1680 OD2 ASP B 55 76.841 -18.036 68.090 1.00 0.00 O ATOM 1681 OXT ASP B 55 73.907 -14.449 68.266 1.00 0.00 O ATOM 0 H ASP B 55 73.931 -14.394 65.809 1.00 0.00 H new ATOM 0 HA ASP B 55 74.310 -17.216 66.637 1.00 0.00 H new ATOM 0 HB2 ASP B 55 76.625 -16.438 66.129 1.00 0.00 H new ATOM 0 HB3 ASP B 55 76.384 -15.020 67.130 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.413 -1.708 36.067 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.159 -21.255 39.695 1.00 0.00 ZN