USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 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 HE2 : A 12 HIS NE2 : 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 HE2 : B 12 HIS NE2 : 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+ 147:sc= 0.595 (180deg=0.116) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0223 (180deg=-0.452) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= -0.334 (180deg=-1.39!) USER MOD Single : A 15 TYR OH : rot 30:sc=-0.00201 USER MOD Single : A 17 SER OG : rot -69:sc= -0.722 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 22 MET CE :methyl -167:sc= -0.468 (180deg=-1.17) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.24) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 130:sc= -0.0707 (180deg=-0.699) USER MOD Single : A 44 GLN : amide:sc= -3.2! C(o=-3.2!,f=-6.3!) 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= -0.0142 X(o=-0.014,f=-0.28) USER MOD Single : A 53 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : B 1 PHE N :NH3+ 151:sc= 0.601 (180deg=0.125) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.0151 (180deg=-0.314) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 14 LYS NZ :NH3+ 154:sc= -0.316 (180deg=-1.39!) USER MOD Single : B 15 TYR OH : rot 30:sc= 0 USER MOD Single : B 17 SER OG : rot -79:sc= -0.678 USER MOD Single : B 18 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 22 MET CE :methyl -166:sc= -0.337 (180deg=-1.12) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.43) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 133:sc= -0.0929 (180deg=-0.878) USER MOD Single : B 44 GLN :FLIP amide:sc= -2.73! C(o=-5!,f=-2.7!) 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= -0.0243 X(o=-0.024,f=-0.39) USER MOD Single : B 53 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.097 -3.680 24.176 1.00 0.00 N ATOM 2 CA PHE A 1 94.457 -4.194 25.424 1.00 0.00 C ATOM 3 C PHE A 1 94.094 -3.033 26.352 1.00 0.00 C ATOM 4 O PHE A 1 92.939 -2.776 26.625 1.00 0.00 O ATOM 5 CB PHE A 1 95.434 -5.109 26.163 1.00 0.00 C ATOM 6 CG PHE A 1 95.631 -6.387 25.389 1.00 0.00 C ATOM 7 CD1 PHE A 1 94.797 -7.488 25.623 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.659 -6.472 24.448 1.00 0.00 C ATOM 9 CE1 PHE A 1 94.990 -8.674 24.904 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.852 -7.656 23.728 1.00 0.00 C ATOM 11 CZ PHE A 1 96.021 -8.760 23.959 1.00 0.00 C ATOM 0 H1 PHE A 1 95.803 -4.366 23.840 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.371 -3.544 23.444 1.00 0.00 H new ATOM 0 H3 PHE A 1 95.563 -2.772 24.374 1.00 0.00 H new ATOM 0 HA PHE A 1 93.556 -4.742 25.148 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.390 -4.603 26.294 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.052 -5.333 27.159 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.007 -7.422 26.356 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.305 -5.624 24.276 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.344 -9.522 25.078 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.642 -7.719 22.994 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.175 -9.677 23.409 1.00 0.00 H new ATOM 23 N LEU A 2 95.073 -2.348 26.861 1.00 0.00 N ATOM 24 CA LEU A 2 94.796 -1.224 27.792 1.00 0.00 C ATOM 25 C LEU A 2 94.191 -0.033 27.038 1.00 0.00 C ATOM 26 O LEU A 2 93.312 0.643 27.537 1.00 0.00 O ATOM 27 CB LEU A 2 96.110 -0.804 28.450 1.00 0.00 C ATOM 28 CG LEU A 2 96.798 -2.035 29.061 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.187 -1.633 29.553 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.964 -2.572 30.237 1.00 0.00 C ATOM 0 H LEU A 2 96.061 -2.519 26.671 1.00 0.00 H new ATOM 0 HA LEU A 2 94.080 -1.548 28.547 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.764 -0.338 27.713 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.919 -0.060 29.224 1.00 0.00 H new ATOM 0 HG LEU A 2 96.886 -2.817 28.307 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.684 -2.500 29.989 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.776 -1.260 28.715 1.00 0.00 H new ATOM 0 HD13 LEU A 2 98.094 -0.851 30.307 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.458 -3.444 30.665 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.869 -1.798 30.999 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.973 -2.854 29.881 1.00 0.00 H new ATOM 42 N ASP A 3 94.664 0.246 25.852 1.00 0.00 N ATOM 43 CA ASP A 3 94.126 1.413 25.085 1.00 0.00 C ATOM 44 C ASP A 3 92.656 1.192 24.694 1.00 0.00 C ATOM 45 O ASP A 3 91.847 2.103 24.745 1.00 0.00 O ATOM 46 CB ASP A 3 94.965 1.602 23.816 1.00 0.00 C ATOM 47 CG ASP A 3 96.379 2.042 24.200 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.559 2.463 25.332 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.259 1.943 23.357 1.00 0.00 O ATOM 0 H ASP A 3 95.398 -0.282 25.380 1.00 0.00 H new ATOM 0 HA ASP A 3 94.181 2.300 25.716 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.003 0.671 23.251 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.503 2.349 23.170 1.00 0.00 H new ATOM 54 N GLY A 4 92.298 -0.002 24.307 1.00 0.00 N ATOM 55 CA GLY A 4 90.882 -0.263 23.905 1.00 0.00 C ATOM 56 C GLY A 4 89.987 -0.284 25.137 1.00 0.00 C ATOM 57 O GLY A 4 88.957 0.359 25.184 1.00 0.00 O ATOM 0 H GLY A 4 92.921 -0.808 24.251 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.544 0.508 23.213 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.814 -1.216 23.380 1.00 0.00 H new ATOM 61 N ILE A 5 90.364 -1.022 26.136 1.00 0.00 N ATOM 62 CA ILE A 5 89.533 -1.089 27.361 1.00 0.00 C ATOM 63 C ILE A 5 89.393 0.304 27.967 1.00 0.00 C ATOM 64 O ILE A 5 88.345 0.669 28.450 1.00 0.00 O ATOM 65 CB ILE A 5 90.185 -2.027 28.373 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.079 -3.458 27.842 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.466 -1.926 29.730 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.950 -4.397 28.686 1.00 0.00 C ATOM 0 H ILE A 5 91.215 -1.584 26.157 1.00 0.00 H new ATOM 0 HA ILE A 5 88.544 -1.468 27.103 1.00 0.00 H new ATOM 0 HB ILE A 5 91.230 -1.750 28.512 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.041 -3.789 27.870 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.397 -3.492 26.800 1.00 0.00 H new ATOM 0 HG21 ILE A 5 89.940 -2.600 30.444 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.529 -0.903 30.100 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.419 -2.204 29.609 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.868 -5.413 28.301 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.989 -4.072 28.636 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.612 -4.373 29.722 1.00 0.00 H new ATOM 80 N ASP A 6 90.436 1.083 27.972 1.00 0.00 N ATOM 81 CA ASP A 6 90.327 2.435 28.580 1.00 0.00 C ATOM 82 C ASP A 6 89.144 3.172 27.964 1.00 0.00 C ATOM 83 O ASP A 6 88.322 3.733 28.663 1.00 0.00 O ATOM 84 CB ASP A 6 91.608 3.224 28.319 1.00 0.00 C ATOM 85 CG ASP A 6 91.520 4.576 29.026 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.491 4.841 29.628 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.477 5.328 28.954 1.00 0.00 O ATOM 0 H ASP A 6 91.350 0.846 27.586 1.00 0.00 H new ATOM 0 HA ASP A 6 90.178 2.336 29.655 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.472 2.667 28.681 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.748 3.369 27.248 1.00 0.00 H new ATOM 92 N LYS A 7 89.032 3.164 26.667 1.00 0.00 N ATOM 93 CA LYS A 7 87.870 3.849 26.038 1.00 0.00 C ATOM 94 C LYS A 7 86.591 3.061 26.347 1.00 0.00 C ATOM 95 O LYS A 7 85.567 3.625 26.689 1.00 0.00 O ATOM 96 CB LYS A 7 88.062 3.935 24.518 1.00 0.00 C ATOM 97 CG LYS A 7 89.284 4.796 24.179 1.00 0.00 C ATOM 98 CD LYS A 7 89.416 4.885 22.654 1.00 0.00 C ATOM 99 CE LYS A 7 90.716 5.603 22.277 1.00 0.00 C ATOM 100 NZ LYS A 7 91.888 4.779 22.686 1.00 0.00 N ATOM 0 H LYS A 7 89.685 2.719 26.022 1.00 0.00 H new ATOM 0 HA LYS A 7 87.791 4.859 26.441 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.189 2.935 24.104 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.171 4.360 24.056 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.175 5.792 24.607 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.185 4.360 24.611 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.406 3.884 22.222 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.562 5.420 22.238 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.744 5.782 21.202 1.00 0.00 H new ATOM 0 HE3 LYS A 7 90.758 6.577 22.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 92.727 5.079 22.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.064 4.906 23.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 91.692 3.776 22.491 1.00 0.00 H new ATOM 114 N ALA A 8 86.637 1.759 26.233 1.00 0.00 N ATOM 115 CA ALA A 8 85.420 0.949 26.523 1.00 0.00 C ATOM 116 C ALA A 8 85.073 1.042 28.005 1.00 0.00 C ATOM 117 O ALA A 8 83.922 0.993 28.389 1.00 0.00 O ATOM 118 CB ALA A 8 85.658 -0.514 26.144 1.00 0.00 C ATOM 0 H ALA A 8 87.460 1.226 25.953 1.00 0.00 H new ATOM 0 HA ALA A 8 84.591 1.341 25.933 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.762 -1.096 26.360 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.887 -0.582 25.080 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.495 -0.908 26.721 1.00 0.00 H new ATOM 124 N GLN A 9 86.058 1.171 28.843 1.00 0.00 N ATOM 125 CA GLN A 9 85.778 1.256 30.296 1.00 0.00 C ATOM 126 C GLN A 9 84.879 2.457 30.580 1.00 0.00 C ATOM 127 O GLN A 9 83.962 2.384 31.376 1.00 0.00 O ATOM 128 CB GLN A 9 87.094 1.425 31.045 1.00 0.00 C ATOM 129 CG GLN A 9 86.847 1.278 32.542 1.00 0.00 C ATOM 130 CD GLN A 9 88.170 1.452 33.287 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.224 1.485 32.681 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.164 1.577 34.585 1.00 0.00 N ATOM 0 H GLN A 9 87.043 1.221 28.584 1.00 0.00 H new ATOM 0 HA GLN A 9 85.276 0.346 30.624 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.815 0.679 30.709 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.524 2.403 30.831 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.125 2.022 32.879 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.420 0.299 32.758 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.282 1.550 35.096 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.042 1.702 35.089 1.00 0.00 H new ATOM 141 N GLU A 10 85.129 3.561 29.936 1.00 0.00 N ATOM 142 CA GLU A 10 84.279 4.756 30.172 1.00 0.00 C ATOM 143 C GLU A 10 82.851 4.420 29.758 1.00 0.00 C ATOM 144 O GLU A 10 81.899 4.751 30.437 1.00 0.00 O ATOM 145 CB GLU A 10 84.823 5.921 29.346 1.00 0.00 C ATOM 146 CG GLU A 10 84.122 7.222 29.748 1.00 0.00 C ATOM 147 CD GLU A 10 84.670 7.701 31.092 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.697 8.358 31.087 1.00 0.00 O ATOM 149 OE2 GLU A 10 84.056 7.399 32.102 1.00 0.00 O ATOM 0 H GLU A 10 85.882 3.686 29.259 1.00 0.00 H new ATOM 0 HA GLU A 10 84.288 5.041 31.224 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.898 6.015 29.499 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.668 5.728 28.284 1.00 0.00 H new ATOM 0 HG2 GLU A 10 84.282 7.984 28.985 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.046 7.061 29.818 1.00 0.00 H new ATOM 156 N GLU A 11 82.692 3.739 28.658 1.00 0.00 N ATOM 157 CA GLU A 11 81.323 3.361 28.224 1.00 0.00 C ATOM 158 C GLU A 11 80.701 2.481 29.302 1.00 0.00 C ATOM 159 O GLU A 11 79.537 2.607 29.626 1.00 0.00 O ATOM 160 CB GLU A 11 81.394 2.586 26.903 1.00 0.00 C ATOM 161 CG GLU A 11 79.972 2.237 26.420 1.00 0.00 C ATOM 162 CD GLU A 11 79.444 1.010 27.175 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.236 0.336 27.812 1.00 0.00 O ATOM 164 OE2 GLU A 11 78.252 0.762 27.097 1.00 0.00 O ATOM 0 H GLU A 11 83.447 3.430 28.045 1.00 0.00 H new ATOM 0 HA GLU A 11 80.718 4.255 28.075 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.907 3.183 26.149 1.00 0.00 H new ATOM 0 HB3 GLU A 11 81.975 1.674 27.038 1.00 0.00 H new ATOM 0 HG2 GLU A 11 79.307 3.086 26.580 1.00 0.00 H new ATOM 0 HG3 GLU A 11 79.982 2.037 25.348 1.00 0.00 H new ATOM 171 N HIS A 12 81.469 1.584 29.865 1.00 0.00 N ATOM 172 CA HIS A 12 80.905 0.702 30.923 1.00 0.00 C ATOM 173 C HIS A 12 80.480 1.542 32.127 1.00 0.00 C ATOM 174 O HIS A 12 79.412 1.371 32.666 1.00 0.00 O ATOM 175 CB HIS A 12 81.945 -0.332 31.378 1.00 0.00 C ATOM 176 CG HIS A 12 81.310 -1.189 32.437 1.00 0.00 C ATOM 177 ND1 HIS A 12 80.972 -2.536 32.228 1.00 0.00 N ATOM 178 CD2 HIS A 12 80.841 -0.873 33.682 1.00 0.00 C ATOM 179 CE1 HIS A 12 80.308 -2.962 33.332 1.00 0.00 C ATOM 180 NE2 HIS A 12 80.220 -1.976 34.212 1.00 0.00 N ATOM 0 H HIS A 12 82.451 1.427 29.639 1.00 0.00 H new ATOM 0 HA HIS A 12 80.041 0.182 30.509 1.00 0.00 H new ATOM 0 HB2 HIS A 12 82.269 -0.943 30.536 1.00 0.00 H new ATOM 0 HB3 HIS A 12 82.832 0.166 31.771 1.00 0.00 H new ATOM 0 HD1 HIS A 12 81.186 -3.091 31.400 1.00 0.00 H new ATOM 0 HD2 HIS A 12 80.943 0.086 34.168 1.00 0.00 H new ATOM 0 HE1 HIS A 12 79.911 -3.956 33.472 1.00 0.00 H new ATOM 188 N GLU A 13 81.320 2.429 32.569 1.00 0.00 N ATOM 189 CA GLU A 13 80.972 3.261 33.757 1.00 0.00 C ATOM 190 C GLU A 13 79.705 4.078 33.487 1.00 0.00 C ATOM 191 O GLU A 13 78.859 4.235 34.347 1.00 0.00 O ATOM 192 CB GLU A 13 82.135 4.210 34.041 1.00 0.00 C ATOM 193 CG GLU A 13 81.898 4.950 35.363 1.00 0.00 C ATOM 194 CD GLU A 13 83.027 5.960 35.595 1.00 0.00 C ATOM 195 OE1 GLU A 13 84.167 5.539 35.674 1.00 0.00 O ATOM 196 OE2 GLU A 13 82.728 7.137 35.687 1.00 0.00 O ATOM 0 H GLU A 13 82.236 2.617 32.161 1.00 0.00 H new ATOM 0 HA GLU A 13 80.790 2.612 34.613 1.00 0.00 H new ATOM 0 HB2 GLU A 13 83.069 3.649 34.091 1.00 0.00 H new ATOM 0 HB3 GLU A 13 82.237 4.927 33.227 1.00 0.00 H new ATOM 0 HG2 GLU A 13 80.937 5.463 35.337 1.00 0.00 H new ATOM 0 HG3 GLU A 13 81.857 4.238 36.188 1.00 0.00 H new ATOM 203 N LYS A 14 79.592 4.627 32.313 1.00 0.00 N ATOM 204 CA LYS A 14 78.407 5.468 31.980 1.00 0.00 C ATOM 205 C LYS A 14 77.093 4.671 32.014 1.00 0.00 C ATOM 206 O LYS A 14 76.055 5.222 32.317 1.00 0.00 O ATOM 207 CB LYS A 14 78.585 6.060 30.580 1.00 0.00 C ATOM 208 CG LYS A 14 79.711 7.103 30.591 1.00 0.00 C ATOM 209 CD LYS A 14 79.991 7.593 29.161 1.00 0.00 C ATOM 210 CE LYS A 14 78.922 8.605 28.727 1.00 0.00 C ATOM 211 NZ LYS A 14 78.837 9.703 29.730 1.00 0.00 N ATOM 0 H LYS A 14 80.275 4.530 31.562 1.00 0.00 H new ATOM 0 HA LYS A 14 78.343 6.252 32.734 1.00 0.00 H new ATOM 0 HB2 LYS A 14 78.818 5.268 29.868 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.654 6.521 30.250 1.00 0.00 H new ATOM 0 HG2 LYS A 14 79.431 7.945 31.224 1.00 0.00 H new ATOM 0 HG3 LYS A 14 80.615 6.669 31.019 1.00 0.00 H new ATOM 0 HD2 LYS A 14 80.978 8.053 29.113 1.00 0.00 H new ATOM 0 HD3 LYS A 14 80.001 6.747 28.474 1.00 0.00 H new ATOM 0 HE2 LYS A 14 79.169 9.013 27.747 1.00 0.00 H new ATOM 0 HE3 LYS A 14 77.956 8.110 28.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 78.646 10.603 29.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 78.068 9.502 30.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 79.737 9.772 30.246 1.00 0.00 H new ATOM 225 N TYR A 15 77.105 3.404 31.651 1.00 0.00 N ATOM 226 CA TYR A 15 75.814 2.626 31.610 1.00 0.00 C ATOM 227 C TYR A 15 75.954 1.225 32.218 1.00 0.00 C ATOM 228 O TYR A 15 74.981 0.512 32.340 1.00 0.00 O ATOM 229 CB TYR A 15 75.399 2.466 30.146 1.00 0.00 C ATOM 230 CG TYR A 15 75.500 3.795 29.448 1.00 0.00 C ATOM 231 CD1 TYR A 15 74.426 4.683 29.507 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.663 4.141 28.743 1.00 0.00 C ATOM 233 CE1 TYR A 15 74.504 5.920 28.862 1.00 0.00 C ATOM 234 CE2 TYR A 15 76.744 5.382 28.097 1.00 0.00 C ATOM 235 CZ TYR A 15 75.662 6.273 28.158 1.00 0.00 C ATOM 236 OH TYR A 15 75.735 7.497 27.528 1.00 0.00 O ATOM 0 H TYR A 15 77.939 2.880 31.385 1.00 0.00 H new ATOM 0 HA TYR A 15 75.075 3.175 32.193 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.040 1.735 29.653 1.00 0.00 H new ATOM 0 HB3 TYR A 15 74.378 2.088 30.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 73.533 4.414 30.052 1.00 0.00 H new ATOM 0 HD2 TYR A 15 77.494 3.452 28.698 1.00 0.00 H new ATOM 0 HE1 TYR A 15 73.670 6.605 28.906 1.00 0.00 H new ATOM 0 HE2 TYR A 15 77.637 5.652 27.553 1.00 0.00 H new ATOM 0 HH TYR A 15 75.190 8.149 28.016 1.00 0.00 H new ATOM 246 N HIS A 16 77.140 0.804 32.548 1.00 0.00 N ATOM 247 CA HIS A 16 77.312 -0.575 33.095 1.00 0.00 C ATOM 248 C HIS A 16 76.720 -1.539 32.077 1.00 0.00 C ATOM 249 O HIS A 16 76.001 -2.458 32.411 1.00 0.00 O ATOM 250 CB HIS A 16 76.595 -0.742 34.449 1.00 0.00 C ATOM 251 CG HIS A 16 77.248 0.122 35.498 1.00 0.00 C ATOM 252 ND1 HIS A 16 78.372 -0.267 36.209 1.00 0.00 N ATOM 253 CD2 HIS A 16 76.952 1.382 35.976 1.00 0.00 C ATOM 254 CE1 HIS A 16 78.727 0.708 37.055 1.00 0.00 C ATOM 255 NE2 HIS A 16 77.888 1.744 36.956 1.00 0.00 N ATOM 0 H HIS A 16 77.998 1.350 32.465 1.00 0.00 H new ATOM 0 HA HIS A 16 78.370 -0.773 33.266 1.00 0.00 H new ATOM 0 HB2 HIS A 16 75.544 -0.471 34.347 1.00 0.00 H new ATOM 0 HB3 HIS A 16 76.626 -1.787 34.758 1.00 0.00 H new ATOM 0 HD2 HIS A 16 76.126 1.995 35.646 1.00 0.00 H new ATOM 0 HE1 HIS A 16 79.573 0.664 37.724 1.00 0.00 H new ATOM 0 HE2 HIS A 16 77.921 2.616 37.483 1.00 0.00 H new ATOM 263 N SER A 17 77.012 -1.314 30.827 1.00 0.00 N ATOM 264 CA SER A 17 76.458 -2.187 29.764 1.00 0.00 C ATOM 265 C SER A 17 76.994 -3.609 29.922 1.00 0.00 C ATOM 266 O SER A 17 78.006 -3.842 30.558 1.00 0.00 O ATOM 267 CB SER A 17 76.855 -1.641 28.397 1.00 0.00 C ATOM 268 OG SER A 17 78.264 -1.750 28.234 1.00 0.00 O ATOM 0 H SER A 17 77.613 -0.559 30.498 1.00 0.00 H new ATOM 0 HA SER A 17 75.371 -2.205 29.848 1.00 0.00 H new ATOM 0 HB2 SER A 17 76.343 -2.195 27.610 1.00 0.00 H new ATOM 0 HB3 SER A 17 76.547 -0.599 28.306 1.00 0.00 H new ATOM 0 HG SER A 17 78.713 -1.124 28.840 1.00 0.00 H new ATOM 274 N ASN A 18 76.315 -4.563 29.344 1.00 0.00 N ATOM 275 CA ASN A 18 76.766 -5.980 29.447 1.00 0.00 C ATOM 276 C ASN A 18 77.987 -6.182 28.549 1.00 0.00 C ATOM 277 O ASN A 18 78.243 -5.400 27.657 1.00 0.00 O ATOM 278 CB ASN A 18 75.639 -6.905 28.992 1.00 0.00 C ATOM 279 CG ASN A 18 74.452 -6.755 29.941 1.00 0.00 C ATOM 280 OD1 ASN A 18 74.610 -6.308 31.059 1.00 0.00 O ATOM 281 ND2 ASN A 18 73.261 -7.107 29.541 1.00 0.00 N ATOM 0 H ASN A 18 75.463 -4.420 28.802 1.00 0.00 H new ATOM 0 HA ASN A 18 77.028 -6.210 30.480 1.00 0.00 H new ATOM 0 HB2 ASN A 18 75.339 -6.659 27.973 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.983 -7.939 28.982 1.00 0.00 H new ATOM 0 HD21 ASN A 18 72.462 -7.007 30.167 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.129 -7.482 28.602 1.00 0.00 H new ATOM 288 N TRP A 19 78.756 -7.211 28.779 1.00 0.00 N ATOM 289 CA TRP A 19 79.962 -7.425 27.930 1.00 0.00 C ATOM 290 C TRP A 19 79.555 -7.580 26.465 1.00 0.00 C ATOM 291 O TRP A 19 80.294 -7.229 25.569 1.00 0.00 O ATOM 292 CB TRP A 19 80.745 -8.656 28.408 1.00 0.00 C ATOM 293 CG TRP A 19 80.028 -9.918 28.061 1.00 0.00 C ATOM 294 CD1 TRP A 19 79.264 -10.639 28.914 1.00 0.00 C ATOM 295 CD2 TRP A 19 80.018 -10.636 26.795 1.00 0.00 C ATOM 296 NE1 TRP A 19 78.778 -11.751 28.248 1.00 0.00 N ATOM 297 CE2 TRP A 19 79.214 -11.791 26.938 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.615 -10.394 25.543 1.00 0.00 C ATOM 299 CZ2 TRP A 19 79.017 -12.680 25.880 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.418 -11.287 24.475 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.620 -12.426 24.644 1.00 0.00 C ATOM 0 H TRP A 19 78.604 -7.906 29.510 1.00 0.00 H new ATOM 0 HA TRP A 19 80.611 -6.554 28.019 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.735 -8.660 27.953 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.890 -8.602 29.487 1.00 0.00 H new ATOM 0 HD1 TRP A 19 79.066 -10.388 29.946 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.173 -12.454 28.672 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.228 -9.516 25.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.403 -13.558 26.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.884 -11.094 23.520 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.471 -13.108 23.820 1.00 0.00 H new ATOM 312 N ARG A 20 78.390 -8.101 26.208 1.00 0.00 N ATOM 313 CA ARG A 20 77.949 -8.274 24.796 1.00 0.00 C ATOM 314 C ARG A 20 77.807 -6.914 24.111 1.00 0.00 C ATOM 315 O ARG A 20 78.195 -6.739 22.973 1.00 0.00 O ATOM 316 CB ARG A 20 76.593 -8.987 24.767 1.00 0.00 C ATOM 317 CG ARG A 20 76.745 -10.405 25.318 1.00 0.00 C ATOM 318 CD ARG A 20 75.392 -11.124 25.296 1.00 0.00 C ATOM 319 NE ARG A 20 75.571 -12.524 25.776 1.00 0.00 N ATOM 320 CZ ARG A 20 74.538 -13.219 26.165 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.344 -12.701 26.088 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.698 -14.434 26.623 1.00 0.00 N ATOM 0 H ARG A 20 77.723 -8.415 26.913 1.00 0.00 H new ATOM 0 HA ARG A 20 78.697 -8.866 24.268 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.867 -8.432 25.360 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.211 -9.022 23.747 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.470 -10.959 24.723 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.130 -10.369 26.337 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.677 -10.599 25.930 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.983 -11.123 24.286 1.00 0.00 H new ATOM 0 HE ARG A 20 76.502 -12.939 25.800 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.221 -11.756 25.725 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.533 -13.241 26.391 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.632 -14.840 26.677 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.889 -14.975 26.927 1.00 0.00 H new ATOM 336 N ALA A 21 77.253 -5.953 24.789 1.00 0.00 N ATOM 337 CA ALA A 21 77.076 -4.608 24.173 1.00 0.00 C ATOM 338 C ALA A 21 78.446 -3.977 23.907 1.00 0.00 C ATOM 339 O ALA A 21 78.716 -3.490 22.828 1.00 0.00 O ATOM 340 CB ALA A 21 76.269 -3.727 25.129 1.00 0.00 C ATOM 0 H ALA A 21 76.913 -6.039 25.747 1.00 0.00 H new ATOM 0 HA ALA A 21 76.544 -4.701 23.226 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.134 -2.740 24.687 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.294 -4.181 25.307 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.803 -3.631 26.074 1.00 0.00 H new ATOM 346 N MET A 22 79.314 -3.981 24.883 1.00 0.00 N ATOM 347 CA MET A 22 80.668 -3.382 24.680 1.00 0.00 C ATOM 348 C MET A 22 81.384 -4.118 23.558 1.00 0.00 C ATOM 349 O MET A 22 82.066 -3.525 22.745 1.00 0.00 O ATOM 350 CB MET A 22 81.484 -3.505 25.959 1.00 0.00 C ATOM 351 CG MET A 22 80.796 -2.706 27.060 1.00 0.00 C ATOM 352 SD MET A 22 81.874 -2.605 28.509 1.00 0.00 S ATOM 353 CE MET A 22 81.657 -4.301 29.082 1.00 0.00 C ATOM 0 H MET A 22 79.146 -4.372 25.810 1.00 0.00 H new ATOM 0 HA MET A 22 80.558 -2.329 24.420 1.00 0.00 H new ATOM 0 HB2 MET A 22 81.572 -4.551 26.251 1.00 0.00 H new ATOM 0 HB3 MET A 22 82.496 -3.132 25.798 1.00 0.00 H new ATOM 0 HG2 MET A 22 80.559 -1.704 26.701 1.00 0.00 H new ATOM 0 HG3 MET A 22 79.852 -3.180 27.330 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.051 -4.396 30.094 1.00 0.00 H new ATOM 0 HE2 MET A 22 80.596 -4.553 29.080 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.192 -4.980 28.419 1.00 0.00 H new ATOM 363 N ALA A 23 81.241 -5.408 23.515 1.00 0.00 N ATOM 364 CA ALA A 23 81.917 -6.187 22.445 1.00 0.00 C ATOM 365 C ALA A 23 81.469 -5.672 21.078 1.00 0.00 C ATOM 366 O ALA A 23 82.270 -5.468 20.188 1.00 0.00 O ATOM 367 CB ALA A 23 81.543 -7.661 22.579 1.00 0.00 C ATOM 0 H ALA A 23 80.687 -5.957 24.172 1.00 0.00 H new ATOM 0 HA ALA A 23 82.997 -6.074 22.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.038 -8.235 21.795 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.861 -8.030 23.554 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.463 -7.772 22.483 1.00 0.00 H new ATOM 373 N SER A 24 80.193 -5.460 20.906 1.00 0.00 N ATOM 374 CA SER A 24 79.690 -4.952 19.598 1.00 0.00 C ATOM 375 C SER A 24 80.113 -3.491 19.413 1.00 0.00 C ATOM 376 O SER A 24 80.443 -3.064 18.324 1.00 0.00 O ATOM 377 CB SER A 24 78.169 -5.065 19.567 1.00 0.00 C ATOM 378 OG SER A 24 77.694 -4.762 18.261 1.00 0.00 O ATOM 0 H SER A 24 79.477 -5.617 21.615 1.00 0.00 H new ATOM 0 HA SER A 24 80.112 -5.545 18.787 1.00 0.00 H new ATOM 0 HB2 SER A 24 77.863 -6.072 19.851 1.00 0.00 H new ATOM 0 HB3 SER A 24 77.729 -4.381 20.293 1.00 0.00 H new ATOM 0 HG SER A 24 76.717 -4.837 18.243 1.00 0.00 H new ATOM 384 N ASP A 25 80.095 -2.726 20.471 1.00 0.00 N ATOM 385 CA ASP A 25 80.482 -1.286 20.370 1.00 0.00 C ATOM 386 C ASP A 25 81.927 -1.147 19.885 1.00 0.00 C ATOM 387 O ASP A 25 82.231 -0.298 19.073 1.00 0.00 O ATOM 388 CB ASP A 25 80.345 -0.626 21.748 1.00 0.00 C ATOM 389 CG ASP A 25 80.616 0.877 21.630 1.00 0.00 C ATOM 390 OD1 ASP A 25 81.130 1.288 20.604 1.00 0.00 O ATOM 391 OD2 ASP A 25 80.306 1.590 22.570 1.00 0.00 O ATOM 0 H ASP A 25 79.828 -3.036 21.405 1.00 0.00 H new ATOM 0 HA ASP A 25 79.823 -0.797 19.652 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.344 -0.795 22.145 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.046 -1.078 22.450 1.00 0.00 H new ATOM 396 N PHE A 26 82.816 -1.965 20.385 1.00 0.00 N ATOM 397 CA PHE A 26 84.252 -1.877 19.964 1.00 0.00 C ATOM 398 C PHE A 26 84.612 -3.069 19.088 1.00 0.00 C ATOM 399 O PHE A 26 85.731 -3.198 18.635 1.00 0.00 O ATOM 400 CB PHE A 26 85.131 -1.880 21.207 1.00 0.00 C ATOM 401 CG PHE A 26 84.880 -0.612 21.970 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.643 0.526 21.689 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.882 -0.563 22.949 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.412 1.713 22.389 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.649 0.625 23.649 1.00 0.00 C ATOM 406 CZ PHE A 26 84.416 1.762 23.369 1.00 0.00 C ATOM 0 H PHE A 26 82.612 -2.694 21.069 1.00 0.00 H new ATOM 0 HA PHE A 26 84.409 -0.960 19.396 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.906 -2.747 21.828 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.182 -1.952 20.928 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.411 0.487 20.931 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.292 -1.442 23.164 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.002 2.591 22.173 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.878 0.665 24.405 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.238 2.679 23.911 1.00 0.00 H new ATOM 416 N ASN A 27 83.677 -3.942 18.853 1.00 0.00 N ATOM 417 CA ASN A 27 83.975 -5.130 18.007 1.00 0.00 C ATOM 418 C ASN A 27 85.154 -5.907 18.610 1.00 0.00 C ATOM 419 O ASN A 27 86.110 -6.201 17.925 1.00 0.00 O ATOM 420 CB ASN A 27 84.337 -4.687 16.582 1.00 0.00 C ATOM 421 CG ASN A 27 84.336 -5.909 15.656 1.00 0.00 C ATOM 422 OD1 ASN A 27 85.366 -6.294 15.138 1.00 0.00 O ATOM 423 ND2 ASN A 27 83.217 -6.540 15.425 1.00 0.00 N ATOM 0 H ASN A 27 82.722 -3.886 19.208 1.00 0.00 H new ATOM 0 HA ASN A 27 83.092 -5.768 17.971 1.00 0.00 H new ATOM 0 HB2 ASN A 27 83.621 -3.946 16.226 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.318 -4.212 16.575 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.208 -7.354 14.811 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.351 -6.219 15.859 1.00 0.00 H new ATOM 430 N LEU A 28 85.103 -6.237 19.883 1.00 0.00 N ATOM 431 CA LEU A 28 86.235 -6.999 20.527 1.00 0.00 C ATOM 432 C LEU A 28 85.688 -8.316 21.094 1.00 0.00 C ATOM 433 O LEU A 28 84.536 -8.383 21.475 1.00 0.00 O ATOM 434 CB LEU A 28 86.815 -6.167 21.674 1.00 0.00 C ATOM 435 CG LEU A 28 87.503 -4.904 21.125 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.744 -3.915 22.270 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.853 -5.268 20.482 1.00 0.00 C ATOM 0 H LEU A 28 84.327 -6.013 20.506 1.00 0.00 H new ATOM 0 HA LEU A 28 87.011 -7.202 19.789 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.021 -5.885 22.365 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.532 -6.763 22.238 1.00 0.00 H new ATOM 0 HG LEU A 28 86.858 -4.452 20.372 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.231 -3.021 21.882 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.790 -3.642 22.722 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.382 -4.378 23.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.328 -4.365 20.098 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.499 -5.729 21.229 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.689 -5.968 19.663 1.00 0.00 H new ATOM 449 N PRO A 29 86.487 -9.356 21.159 1.00 0.00 N ATOM 450 CA PRO A 29 86.018 -10.664 21.693 1.00 0.00 C ATOM 451 C PRO A 29 85.524 -10.540 23.149 1.00 0.00 C ATOM 452 O PRO A 29 86.023 -9.733 23.906 1.00 0.00 O ATOM 453 CB PRO A 29 87.257 -11.587 21.608 1.00 0.00 C ATOM 454 CG PRO A 29 88.434 -10.675 21.419 1.00 0.00 C ATOM 455 CD PRO A 29 87.902 -9.411 20.738 1.00 0.00 C ATOM 0 HA PRO A 29 85.170 -11.050 21.128 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.365 -12.182 22.515 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.167 -12.287 20.777 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.896 -10.434 22.377 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.200 -11.152 20.807 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.449 -8.524 21.057 1.00 0.00 H new ATOM 0 HD3 PRO A 29 87.995 -9.471 19.654 1.00 0.00 H new ATOM 463 N PRO A 30 84.565 -11.340 23.545 1.00 0.00 N ATOM 464 CA PRO A 30 84.040 -11.310 24.933 1.00 0.00 C ATOM 465 C PRO A 30 85.181 -11.174 25.946 1.00 0.00 C ATOM 466 O PRO A 30 85.032 -10.613 27.011 1.00 0.00 O ATOM 467 CB PRO A 30 83.329 -12.670 25.101 1.00 0.00 C ATOM 468 CG PRO A 30 83.083 -13.207 23.711 1.00 0.00 C ATOM 469 CD PRO A 30 83.890 -12.352 22.719 1.00 0.00 C ATOM 0 HA PRO A 30 83.375 -10.464 25.105 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.945 -13.360 25.679 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.390 -12.551 25.642 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.386 -14.252 23.647 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.021 -13.168 23.470 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.611 -12.959 22.172 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.239 -11.886 21.979 1.00 0.00 H new ATOM 477 N VAL A 31 86.315 -11.718 25.622 1.00 0.00 N ATOM 478 CA VAL A 31 87.463 -11.666 26.566 1.00 0.00 C ATOM 479 C VAL A 31 87.733 -10.239 27.010 1.00 0.00 C ATOM 480 O VAL A 31 87.829 -9.954 28.188 1.00 0.00 O ATOM 481 CB VAL A 31 88.715 -12.224 25.868 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.990 -11.906 26.683 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.562 -13.739 25.708 1.00 0.00 C ATOM 0 H VAL A 31 86.499 -12.199 24.741 1.00 0.00 H new ATOM 0 HA VAL A 31 87.220 -12.264 27.444 1.00 0.00 H new ATOM 0 HB VAL A 31 88.815 -11.754 24.890 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.861 -12.311 26.168 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.098 -10.826 26.784 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.911 -12.356 27.672 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.445 -14.144 25.214 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.453 -14.199 26.690 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.679 -13.954 25.106 1.00 0.00 H new ATOM 493 N VAL A 32 87.883 -9.346 26.090 1.00 0.00 N ATOM 494 CA VAL A 32 88.170 -7.953 26.500 1.00 0.00 C ATOM 495 C VAL A 32 86.949 -7.363 27.188 1.00 0.00 C ATOM 496 O VAL A 32 87.043 -6.795 28.256 1.00 0.00 O ATOM 497 CB VAL A 32 88.550 -7.112 25.284 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.803 -5.673 25.740 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.829 -7.683 24.656 1.00 0.00 C ATOM 0 H VAL A 32 87.821 -9.512 25.085 1.00 0.00 H new ATOM 0 HA VAL A 32 89.009 -7.951 27.196 1.00 0.00 H new ATOM 0 HB VAL A 32 87.746 -7.131 24.549 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.076 -5.061 24.880 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.899 -5.272 26.198 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.615 -5.659 26.467 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.105 -7.086 23.787 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.637 -7.655 25.387 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.654 -8.714 24.348 1.00 0.00 H new ATOM 509 N ALA A 33 85.800 -7.492 26.591 1.00 0.00 N ATOM 510 CA ALA A 33 84.580 -6.925 27.224 1.00 0.00 C ATOM 511 C ALA A 33 84.293 -7.619 28.559 1.00 0.00 C ATOM 512 O ALA A 33 83.983 -6.972 29.540 1.00 0.00 O ATOM 513 CB ALA A 33 83.387 -7.110 26.282 1.00 0.00 C ATOM 0 H ALA A 33 85.653 -7.962 25.698 1.00 0.00 H new ATOM 0 HA ALA A 33 84.742 -5.864 27.412 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.491 -6.695 26.744 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.583 -6.595 25.342 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.237 -8.172 26.089 1.00 0.00 H new ATOM 519 N LYS A 34 84.388 -8.922 28.618 1.00 0.00 N ATOM 520 CA LYS A 34 84.103 -9.614 29.909 1.00 0.00 C ATOM 521 C LYS A 34 85.081 -9.146 30.996 1.00 0.00 C ATOM 522 O LYS A 34 84.724 -9.026 32.150 1.00 0.00 O ATOM 523 CB LYS A 34 84.199 -11.137 29.727 1.00 0.00 C ATOM 524 CG LYS A 34 83.022 -11.634 28.871 1.00 0.00 C ATOM 525 CD LYS A 34 83.192 -13.132 28.571 1.00 0.00 C ATOM 526 CE LYS A 34 82.872 -13.964 29.818 1.00 0.00 C ATOM 527 NZ LYS A 34 82.678 -15.390 29.427 1.00 0.00 N ATOM 0 H LYS A 34 84.647 -9.529 27.840 1.00 0.00 H new ATOM 0 HA LYS A 34 83.090 -9.361 30.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.144 -11.397 29.249 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.188 -11.630 30.699 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.082 -11.463 29.395 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.975 -11.070 27.939 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.533 -13.423 27.753 1.00 0.00 H new ATOM 0 HD3 LYS A 34 84.213 -13.331 28.245 1.00 0.00 H new ATOM 0 HE2 LYS A 34 83.683 -13.881 30.542 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.973 -13.583 30.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.461 -15.955 30.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.890 -15.461 28.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.547 -15.750 28.984 1.00 0.00 H new ATOM 541 N GLU A 35 86.310 -8.890 30.650 1.00 0.00 N ATOM 542 CA GLU A 35 87.294 -8.447 31.680 1.00 0.00 C ATOM 543 C GLU A 35 86.837 -7.132 32.316 1.00 0.00 C ATOM 544 O GLU A 35 86.973 -6.930 33.508 1.00 0.00 O ATOM 545 CB GLU A 35 88.653 -8.258 31.012 1.00 0.00 C ATOM 546 CG GLU A 35 89.747 -8.093 32.072 1.00 0.00 C ATOM 547 CD GLU A 35 89.700 -6.683 32.669 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.115 -5.811 32.045 1.00 0.00 O ATOM 549 OE2 GLU A 35 90.256 -6.501 33.741 1.00 0.00 O ATOM 0 H GLU A 35 86.677 -8.967 29.702 1.00 0.00 H new ATOM 0 HA GLU A 35 87.368 -9.201 32.463 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.877 -9.116 30.379 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.629 -7.381 30.365 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.614 -8.834 32.860 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.725 -8.274 31.626 1.00 0.00 H new ATOM 556 N ILE A 36 86.299 -6.233 31.542 1.00 0.00 N ATOM 557 CA ILE A 36 85.845 -4.943 32.125 1.00 0.00 C ATOM 558 C ILE A 36 84.776 -5.224 33.183 1.00 0.00 C ATOM 559 O ILE A 36 84.754 -4.619 34.237 1.00 0.00 O ATOM 560 CB ILE A 36 85.257 -4.070 31.014 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.279 -3.959 29.876 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.953 -2.675 31.564 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.829 -2.898 28.865 1.00 0.00 C ATOM 0 H ILE A 36 86.155 -6.335 30.537 1.00 0.00 H new ATOM 0 HA ILE A 36 86.685 -4.423 32.586 1.00 0.00 H new ATOM 0 HB ILE A 36 84.335 -4.518 30.642 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.257 -3.696 30.279 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.388 -4.923 29.379 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.534 -2.055 30.771 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.235 -2.754 32.380 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.873 -2.221 31.933 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.562 -2.827 28.061 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.861 -3.178 28.450 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.744 -1.933 29.364 1.00 0.00 H new ATOM 575 N VAL A 37 83.903 -6.148 32.917 1.00 0.00 N ATOM 576 CA VAL A 37 82.841 -6.482 33.908 1.00 0.00 C ATOM 577 C VAL A 37 83.501 -7.013 35.180 1.00 0.00 C ATOM 578 O VAL A 37 83.080 -6.723 36.283 1.00 0.00 O ATOM 579 CB VAL A 37 81.915 -7.540 33.308 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.921 -8.030 34.364 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.148 -6.930 32.133 1.00 0.00 C ATOM 0 H VAL A 37 83.876 -6.691 32.054 1.00 0.00 H new ATOM 0 HA VAL A 37 82.256 -5.596 34.153 1.00 0.00 H new ATOM 0 HB VAL A 37 82.512 -8.384 32.964 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.266 -8.783 33.926 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.465 -8.466 35.202 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.322 -7.190 34.717 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.486 -7.681 31.702 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.557 -6.084 32.484 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.854 -6.590 31.375 1.00 0.00 H new ATOM 591 N ALA A 38 84.520 -7.808 35.031 1.00 0.00 N ATOM 592 CA ALA A 38 85.212 -8.377 36.223 1.00 0.00 C ATOM 593 C ALA A 38 85.775 -7.267 37.121 1.00 0.00 C ATOM 594 O ALA A 38 85.857 -7.414 38.322 1.00 0.00 O ATOM 595 CB ALA A 38 86.354 -9.285 35.757 1.00 0.00 C ATOM 0 H ALA A 38 84.907 -8.091 34.131 1.00 0.00 H new ATOM 0 HA ALA A 38 84.487 -8.949 36.802 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.863 -9.704 36.625 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.950 -10.094 35.148 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.062 -8.705 35.166 1.00 0.00 H new ATOM 601 N SER A 39 86.185 -6.169 36.550 1.00 0.00 N ATOM 602 CA SER A 39 86.762 -5.071 37.381 1.00 0.00 C ATOM 603 C SER A 39 85.640 -4.243 38.030 1.00 0.00 C ATOM 604 O SER A 39 85.842 -3.589 39.033 1.00 0.00 O ATOM 605 CB SER A 39 87.604 -4.158 36.486 1.00 0.00 C ATOM 606 OG SER A 39 88.613 -4.928 35.839 1.00 0.00 O ATOM 0 H SER A 39 86.147 -5.983 35.548 1.00 0.00 H new ATOM 0 HA SER A 39 87.380 -5.507 38.166 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.970 -3.673 35.744 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.060 -3.367 37.081 1.00 0.00 H new ATOM 0 HG SER A 39 89.152 -4.345 35.264 1.00 0.00 H new ATOM 612 N CYS A 40 84.467 -4.256 37.459 1.00 0.00 N ATOM 613 CA CYS A 40 83.342 -3.460 38.037 1.00 0.00 C ATOM 614 C CYS A 40 82.609 -4.261 39.121 1.00 0.00 C ATOM 615 O CYS A 40 81.884 -5.193 38.835 1.00 0.00 O ATOM 616 CB CYS A 40 82.364 -3.099 36.920 1.00 0.00 C ATOM 617 SG CYS A 40 80.958 -2.206 37.627 1.00 0.00 S ATOM 0 H CYS A 40 84.237 -4.783 36.617 1.00 0.00 H new ATOM 0 HA CYS A 40 83.746 -2.555 38.492 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.861 -2.484 36.170 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.020 -4.002 36.415 1.00 0.00 H new ATOM 622 N ASP A 41 82.783 -3.886 40.366 1.00 0.00 N ATOM 623 CA ASP A 41 82.087 -4.602 41.480 1.00 0.00 C ATOM 624 C ASP A 41 80.569 -4.430 41.328 1.00 0.00 C ATOM 625 O ASP A 41 79.791 -5.258 41.758 1.00 0.00 O ATOM 626 CB ASP A 41 82.529 -4.030 42.831 1.00 0.00 C ATOM 627 CG ASP A 41 84.021 -4.293 43.039 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.545 -5.167 42.370 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.614 -3.620 43.867 1.00 0.00 O ATOM 0 H ASP A 41 83.379 -3.112 40.659 1.00 0.00 H new ATOM 0 HA ASP A 41 82.345 -5.660 41.438 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.330 -2.959 42.866 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.954 -4.487 43.636 1.00 0.00 H new ATOM 634 N LYS A 42 80.150 -3.345 40.730 1.00 0.00 N ATOM 635 CA LYS A 42 78.688 -3.092 40.551 1.00 0.00 C ATOM 636 C LYS A 42 78.139 -3.987 39.441 1.00 0.00 C ATOM 637 O LYS A 42 77.018 -3.828 38.998 1.00 0.00 O ATOM 638 CB LYS A 42 78.462 -1.626 40.186 1.00 0.00 C ATOM 639 CG LYS A 42 78.958 -0.743 41.328 1.00 0.00 C ATOM 640 CD LYS A 42 78.576 0.704 41.047 1.00 0.00 C ATOM 641 CE LYS A 42 79.186 1.598 42.122 1.00 0.00 C ATOM 642 NZ LYS A 42 80.677 1.550 42.026 1.00 0.00 N ATOM 0 H LYS A 42 80.761 -2.619 40.356 1.00 0.00 H new ATOM 0 HA LYS A 42 78.169 -3.317 41.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.992 -1.382 39.265 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.403 -1.443 40.002 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.521 -1.070 42.272 1.00 0.00 H new ATOM 0 HG3 LYS A 42 80.040 -0.833 41.429 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.934 1.003 40.062 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.491 0.812 41.039 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.836 2.623 41.999 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.864 1.268 43.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 81.055 2.519 42.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 81.061 1.039 42.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.953 1.059 41.152 1.00 0.00 H new ATOM 656 N CYS A 43 78.922 -4.927 38.986 1.00 0.00 N ATOM 657 CA CYS A 43 78.457 -5.843 37.900 1.00 0.00 C ATOM 658 C CYS A 43 79.095 -7.227 38.086 1.00 0.00 C ATOM 659 O CYS A 43 78.503 -8.239 37.765 1.00 0.00 O ATOM 660 CB CYS A 43 78.877 -5.271 36.543 1.00 0.00 C ATOM 661 SG CYS A 43 77.893 -3.795 36.158 1.00 0.00 S ATOM 0 H CYS A 43 79.870 -5.102 39.320 1.00 0.00 H new ATOM 0 HA CYS A 43 77.372 -5.935 37.942 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.937 -5.017 36.559 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.741 -6.022 35.765 1.00 0.00 H new ATOM 666 N GLN A 44 80.293 -7.283 38.602 1.00 0.00 N ATOM 667 CA GLN A 44 80.960 -8.604 38.810 1.00 0.00 C ATOM 668 C GLN A 44 80.254 -9.368 39.933 1.00 0.00 C ATOM 669 O GLN A 44 80.082 -10.572 39.877 1.00 0.00 O ATOM 670 CB GLN A 44 82.423 -8.370 39.201 1.00 0.00 C ATOM 671 CG GLN A 44 83.182 -9.700 39.239 1.00 0.00 C ATOM 672 CD GLN A 44 84.651 -9.438 39.586 1.00 0.00 C ATOM 673 OE1 GLN A 44 85.579 -9.795 38.742 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.954 -8.898 40.631 1.00 0.00 N ATOM 0 H GLN A 44 80.840 -6.472 38.889 1.00 0.00 H new ATOM 0 HA GLN A 44 80.909 -9.186 37.890 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.894 -7.695 38.487 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.473 -7.887 40.177 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.735 -10.365 39.978 1.00 0.00 H new ATOM 0 HG3 GLN A 44 83.109 -10.201 38.274 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.227 -8.619 41.290 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.935 -8.723 40.849 1.00 0.00 H new ATOM 683 N LEU A 45 79.843 -8.672 40.955 1.00 0.00 N ATOM 684 CA LEU A 45 79.150 -9.341 42.093 1.00 0.00 C ATOM 685 C LEU A 45 77.670 -9.517 41.773 1.00 0.00 C ATOM 686 O LEU A 45 76.807 -9.244 42.586 1.00 0.00 O ATOM 687 CB LEU A 45 79.284 -8.483 43.340 1.00 0.00 C ATOM 688 CG LEU A 45 80.763 -8.350 43.742 1.00 0.00 C ATOM 689 CD1 LEU A 45 80.866 -7.440 44.971 1.00 0.00 C ATOM 690 CD2 LEU A 45 81.362 -9.732 44.083 1.00 0.00 C ATOM 0 H LEU A 45 79.957 -7.663 41.053 1.00 0.00 H new ATOM 0 HA LEU A 45 79.605 -10.318 42.259 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.860 -7.496 43.157 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.717 -8.927 44.158 1.00 0.00 H new ATOM 0 HG LEU A 45 81.319 -7.925 42.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.911 -7.340 45.263 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.461 -6.457 44.731 1.00 0.00 H new ATOM 0 HD13 LEU A 45 80.299 -7.875 45.794 1.00 0.00 H new ATOM 0 HD21 LEU A 45 82.409 -9.615 44.365 1.00 0.00 H new ATOM 0 HD22 LEU A 45 80.810 -10.173 44.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 81.291 -10.384 43.213 1.00 0.00 H new ATOM 702 N LYS A 46 77.382 -9.981 40.600 1.00 0.00 N ATOM 703 CA LYS A 46 75.966 -10.198 40.194 1.00 0.00 C ATOM 704 C LYS A 46 75.502 -11.562 40.727 1.00 0.00 C ATOM 705 O LYS A 46 76.187 -12.554 40.585 1.00 0.00 O ATOM 706 CB LYS A 46 75.895 -10.172 38.666 1.00 0.00 C ATOM 707 CG LYS A 46 76.765 -11.291 38.094 1.00 0.00 C ATOM 708 CD LYS A 46 76.939 -11.066 36.596 1.00 0.00 C ATOM 709 CE LYS A 46 77.542 -12.314 35.955 1.00 0.00 C ATOM 710 NZ LYS A 46 77.560 -12.155 34.477 1.00 0.00 N ATOM 0 H LYS A 46 78.073 -10.225 39.891 1.00 0.00 H new ATOM 0 HA LYS A 46 75.320 -9.420 40.601 1.00 0.00 H new ATOM 0 HB2 LYS A 46 74.863 -10.296 38.338 1.00 0.00 H new ATOM 0 HB3 LYS A 46 76.235 -9.206 38.292 1.00 0.00 H new ATOM 0 HG2 LYS A 46 77.736 -11.303 38.588 1.00 0.00 H new ATOM 0 HG3 LYS A 46 76.301 -12.260 38.278 1.00 0.00 H new ATOM 0 HD2 LYS A 46 75.976 -10.839 36.138 1.00 0.00 H new ATOM 0 HD3 LYS A 46 77.586 -10.206 36.420 1.00 0.00 H new ATOM 0 HE2 LYS A 46 78.554 -12.473 36.326 1.00 0.00 H new ATOM 0 HE3 LYS A 46 76.960 -13.194 36.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 77.971 -13.005 34.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 76.588 -12.023 34.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 78.133 -11.325 34.224 1.00 0.00 H new ATOM 724 N GLY A 47 74.352 -11.615 41.359 1.00 0.00 N ATOM 725 CA GLY A 47 73.849 -12.910 41.929 1.00 0.00 C ATOM 726 C GLY A 47 73.344 -12.656 43.354 1.00 0.00 C ATOM 727 O GLY A 47 73.411 -11.552 43.853 1.00 0.00 O ATOM 0 H GLY A 47 73.737 -10.815 41.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 73.046 -13.309 41.309 1.00 0.00 H new ATOM 0 HA3 GLY A 47 74.646 -13.654 41.937 1.00 0.00 H new ATOM 731 N GLU A 48 72.847 -13.669 44.014 1.00 0.00 N ATOM 732 CA GLU A 48 72.349 -13.471 45.405 1.00 0.00 C ATOM 733 C GLU A 48 73.504 -12.961 46.276 1.00 0.00 C ATOM 734 O GLU A 48 73.295 -12.242 47.230 1.00 0.00 O ATOM 735 CB GLU A 48 71.822 -14.800 45.978 1.00 0.00 C ATOM 736 CG GLU A 48 70.660 -15.331 45.126 1.00 0.00 C ATOM 737 CD GLU A 48 70.143 -16.640 45.733 1.00 0.00 C ATOM 738 OE1 GLU A 48 70.567 -16.970 46.830 1.00 0.00 O ATOM 739 OE2 GLU A 48 69.324 -17.287 45.096 1.00 0.00 O ATOM 0 H GLU A 48 72.765 -14.619 43.652 1.00 0.00 H new ATOM 0 HA GLU A 48 71.535 -12.746 45.398 1.00 0.00 H new ATOM 0 HB2 GLU A 48 72.626 -15.535 46.005 1.00 0.00 H new ATOM 0 HB3 GLU A 48 71.490 -14.653 47.006 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.858 -14.594 45.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.992 -15.498 44.101 1.00 0.00 H new ATOM 746 N ALA A 49 74.717 -13.329 45.943 1.00 0.00 N ATOM 747 CA ALA A 49 75.910 -12.877 46.732 1.00 0.00 C ATOM 748 C ALA A 49 75.604 -12.917 48.238 1.00 0.00 C ATOM 749 O ALA A 49 75.873 -13.896 48.903 1.00 0.00 O ATOM 750 CB ALA A 49 76.298 -11.451 46.320 1.00 0.00 C ATOM 0 H ALA A 49 74.936 -13.931 45.149 1.00 0.00 H new ATOM 0 HA ALA A 49 76.741 -13.552 46.525 1.00 0.00 H new ATOM 0 HB1 ALA A 49 77.165 -11.129 46.897 1.00 0.00 H new ATOM 0 HB2 ALA A 49 76.542 -11.433 45.258 1.00 0.00 H new ATOM 0 HB3 ALA A 49 75.463 -10.777 46.512 1.00 0.00 H new ATOM 756 N MET A 50 75.049 -11.863 48.775 1.00 0.00 N ATOM 757 CA MET A 50 74.727 -11.839 50.237 1.00 0.00 C ATOM 758 C MET A 50 73.654 -12.893 50.558 1.00 0.00 C ATOM 759 O MET A 50 72.821 -13.209 49.734 1.00 0.00 O ATOM 760 CB MET A 50 74.201 -10.450 50.616 1.00 0.00 C ATOM 761 CG MET A 50 73.047 -10.063 49.686 1.00 0.00 C ATOM 762 SD MET A 50 72.492 -8.383 50.053 1.00 0.00 S ATOM 763 CE MET A 50 71.178 -8.344 48.810 1.00 0.00 C ATOM 0 H MET A 50 74.803 -11.014 48.265 1.00 0.00 H new ATOM 0 HA MET A 50 75.629 -12.063 50.806 1.00 0.00 H new ATOM 0 HB2 MET A 50 73.862 -10.449 51.652 1.00 0.00 H new ATOM 0 HB3 MET A 50 75.002 -9.715 50.542 1.00 0.00 H new ATOM 0 HG2 MET A 50 73.369 -10.129 48.647 1.00 0.00 H new ATOM 0 HG3 MET A 50 72.220 -10.763 49.809 1.00 0.00 H new ATOM 0 HE1 MET A 50 70.674 -7.378 48.843 1.00 0.00 H new ATOM 0 HE2 MET A 50 71.609 -8.495 47.820 1.00 0.00 H new ATOM 0 HE3 MET A 50 70.458 -9.136 49.017 1.00 0.00 H new ATOM 773 N HIS A 51 73.669 -13.442 51.753 1.00 0.00 N ATOM 774 CA HIS A 51 72.645 -14.475 52.130 1.00 0.00 C ATOM 775 C HIS A 51 72.244 -14.283 53.603 1.00 0.00 C ATOM 776 O HIS A 51 73.034 -13.850 54.418 1.00 0.00 O ATOM 777 CB HIS A 51 73.237 -15.872 51.927 1.00 0.00 C ATOM 778 CG HIS A 51 72.142 -16.898 52.043 1.00 0.00 C ATOM 779 ND1 HIS A 51 71.838 -17.530 53.241 1.00 0.00 N ATOM 780 CD2 HIS A 51 71.264 -17.407 51.118 1.00 0.00 C ATOM 781 CE1 HIS A 51 70.817 -18.376 53.008 1.00 0.00 C ATOM 782 NE2 HIS A 51 70.432 -18.337 51.732 1.00 0.00 N ATOM 0 H HIS A 51 74.346 -13.220 52.483 1.00 0.00 H new ATOM 0 HA HIS A 51 71.761 -14.365 51.502 1.00 0.00 H new ATOM 0 HB2 HIS A 51 73.712 -15.939 50.948 1.00 0.00 H new ATOM 0 HB3 HIS A 51 74.011 -16.063 52.671 1.00 0.00 H new ATOM 0 HD2 HIS A 51 71.226 -17.128 50.075 1.00 0.00 H new ATOM 0 HE1 HIS A 51 70.366 -19.007 53.760 1.00 0.00 H new ATOM 0 HE2 HIS A 51 69.684 -18.877 51.297 1.00 0.00 H new ATOM 790 N GLY A 52 71.017 -14.590 53.951 1.00 0.00 N ATOM 791 CA GLY A 52 70.575 -14.405 55.368 1.00 0.00 C ATOM 792 C GLY A 52 69.309 -15.222 55.634 1.00 0.00 C ATOM 793 O GLY A 52 69.353 -16.428 55.740 1.00 0.00 O ATOM 0 H GLY A 52 70.307 -14.959 53.318 1.00 0.00 H new ATOM 0 HA2 GLY A 52 71.368 -14.716 56.048 1.00 0.00 H new ATOM 0 HA3 GLY A 52 70.384 -13.350 55.563 1.00 0.00 H new ATOM 797 N GLN A 53 68.183 -14.563 55.754 1.00 0.00 N ATOM 798 CA GLN A 53 66.903 -15.287 56.021 1.00 0.00 C ATOM 799 C GLN A 53 66.973 -15.915 57.415 1.00 0.00 C ATOM 800 O GLN A 53 66.414 -16.963 57.664 1.00 0.00 O ATOM 801 CB GLN A 53 66.701 -16.381 54.957 1.00 0.00 C ATOM 802 CG GLN A 53 65.217 -16.761 54.849 1.00 0.00 C ATOM 803 CD GLN A 53 64.432 -15.629 54.183 1.00 0.00 C ATOM 804 OE1 GLN A 53 64.624 -15.347 53.016 1.00 0.00 O ATOM 805 NE2 GLN A 53 63.545 -14.970 54.877 1.00 0.00 N ATOM 0 H GLN A 53 68.096 -13.550 55.678 1.00 0.00 H new ATOM 0 HA GLN A 53 66.063 -14.594 55.976 1.00 0.00 H new ATOM 0 HB2 GLN A 53 67.063 -16.028 53.991 1.00 0.00 H new ATOM 0 HB3 GLN A 53 67.290 -17.261 55.216 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.110 -17.678 54.270 1.00 0.00 H new ATOM 0 HG3 GLN A 53 64.812 -16.961 55.841 1.00 0.00 H new ATOM 0 HE21 GLN A 53 63.384 -15.207 55.856 1.00 0.00 H new ATOM 0 HE22 GLN A 53 63.012 -14.218 54.441 1.00 0.00 H new ATOM 814 N VAL A 54 67.659 -15.277 58.324 1.00 0.00 N ATOM 815 CA VAL A 54 67.770 -15.830 59.703 1.00 0.00 C ATOM 816 C VAL A 54 68.328 -17.253 59.626 1.00 0.00 C ATOM 817 O VAL A 54 68.371 -17.979 60.602 1.00 0.00 O ATOM 818 CB VAL A 54 66.380 -15.848 60.351 1.00 0.00 C ATOM 819 CG1 VAL A 54 66.501 -16.077 61.864 1.00 0.00 C ATOM 820 CG2 VAL A 54 65.680 -14.511 60.091 1.00 0.00 C ATOM 0 H VAL A 54 68.148 -14.395 58.170 1.00 0.00 H new ATOM 0 HA VAL A 54 68.438 -15.212 60.303 1.00 0.00 H new ATOM 0 HB VAL A 54 65.797 -16.660 59.917 1.00 0.00 H new ATOM 0 HG11 VAL A 54 65.507 -16.087 62.311 1.00 0.00 H new ATOM 0 HG12 VAL A 54 66.992 -17.032 62.049 1.00 0.00 H new ATOM 0 HG13 VAL A 54 67.090 -15.274 62.308 1.00 0.00 H new ATOM 0 HG21 VAL A 54 64.692 -14.522 60.551 1.00 0.00 H new ATOM 0 HG22 VAL A 54 66.271 -13.702 60.520 1.00 0.00 H new ATOM 0 HG23 VAL A 54 65.578 -14.356 59.017 1.00 0.00 H new ATOM 830 N ASP A 55 68.748 -17.645 58.462 1.00 0.00 N ATOM 831 CA ASP A 55 69.305 -19.021 58.265 1.00 0.00 C ATOM 832 C ASP A 55 70.807 -19.039 58.577 1.00 0.00 C ATOM 833 O ASP A 55 71.513 -18.178 58.073 1.00 0.00 O ATOM 834 CB ASP A 55 69.078 -19.430 56.807 1.00 0.00 C ATOM 835 CG ASP A 55 69.493 -20.886 56.590 1.00 0.00 C ATOM 836 OD1 ASP A 55 70.093 -21.454 57.489 1.00 0.00 O ATOM 837 OD2 ASP A 55 69.206 -21.410 55.524 1.00 0.00 O ATOM 838 OXT ASP A 55 71.228 -19.919 59.317 1.00 0.00 O ATOM 0 H ASP A 55 68.732 -17.067 57.621 1.00 0.00 H new ATOM 0 HA ASP A 55 68.805 -19.718 58.937 1.00 0.00 H new ATOM 0 HB2 ASP A 55 68.027 -19.302 56.546 1.00 0.00 H new ATOM 0 HB3 ASP A 55 69.652 -18.780 56.147 1.00 0.00 H new TER 843 ASP A 55 ATOM 844 N PHE B 1 93.684 -13.964 21.550 1.00 0.00 N ATOM 845 CA PHE B 1 92.756 -13.884 22.716 1.00 0.00 C ATOM 846 C PHE B 1 92.264 -15.281 23.098 1.00 0.00 C ATOM 847 O PHE B 1 92.603 -15.814 24.135 1.00 0.00 O ATOM 848 CB PHE B 1 91.539 -13.033 22.352 1.00 0.00 C ATOM 849 CG PHE B 1 91.941 -11.595 22.176 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.934 -10.721 23.270 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.307 -11.134 20.913 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.299 -9.379 23.092 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.668 -9.796 20.731 1.00 0.00 C ATOM 854 CZ PHE B 1 92.666 -8.918 21.821 1.00 0.00 C ATOM 0 H1 PHE B 1 93.629 -13.082 21.001 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.657 -14.100 21.890 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.413 -14.766 20.945 1.00 0.00 H new ATOM 0 HA PHE B 1 93.295 -13.438 23.552 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.087 -13.406 21.433 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.784 -13.113 23.134 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.648 -11.080 24.248 1.00 0.00 H new ATOM 0 HD2 PHE B 1 92.312 -11.812 20.073 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.297 -8.702 23.933 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.948 -9.440 19.751 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.948 -7.885 21.682 1.00 0.00 H new ATOM 866 N LEU B 2 91.436 -15.863 22.280 1.00 0.00 N ATOM 867 CA LEU B 2 90.880 -17.206 22.605 1.00 0.00 C ATOM 868 C LEU B 2 91.979 -18.271 22.539 1.00 0.00 C ATOM 869 O LEU B 2 92.020 -19.178 23.349 1.00 0.00 O ATOM 870 CB LEU B 2 89.780 -17.533 21.590 1.00 0.00 C ATOM 871 CG LEU B 2 88.762 -16.379 21.539 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.757 -16.635 20.415 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.006 -16.279 22.871 1.00 0.00 C ATOM 0 H LEU B 2 91.118 -15.466 21.396 1.00 0.00 H new ATOM 0 HA LEU B 2 90.472 -17.198 23.616 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.217 -17.690 20.604 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.279 -18.461 21.868 1.00 0.00 H new ATOM 0 HG LEU B 2 89.297 -15.447 21.357 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.036 -15.818 20.379 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.284 -16.697 19.463 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.234 -17.573 20.601 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.289 -15.459 22.822 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.477 -17.213 23.060 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.714 -16.094 23.678 1.00 0.00 H new ATOM 885 N ASP B 3 92.857 -18.178 21.580 1.00 0.00 N ATOM 886 CA ASP B 3 93.945 -19.193 21.449 1.00 0.00 C ATOM 887 C ASP B 3 94.889 -19.156 22.666 1.00 0.00 C ATOM 888 O ASP B 3 95.324 -20.184 23.163 1.00 0.00 O ATOM 889 CB ASP B 3 94.742 -18.897 20.174 1.00 0.00 C ATOM 890 CG ASP B 3 93.876 -19.207 18.947 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.829 -19.810 19.122 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.275 -18.837 17.854 1.00 0.00 O ATOM 0 H ASP B 3 92.870 -17.440 20.877 1.00 0.00 H new ATOM 0 HA ASP B 3 93.497 -20.186 21.398 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.051 -17.852 20.160 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.651 -19.498 20.152 1.00 0.00 H new ATOM 897 N GLY B 4 95.209 -17.986 23.154 1.00 0.00 N ATOM 898 CA GLY B 4 96.129 -17.887 24.327 1.00 0.00 C ATOM 899 C GLY B 4 95.402 -18.324 25.597 1.00 0.00 C ATOM 900 O GLY B 4 95.893 -19.130 26.367 1.00 0.00 O ATOM 0 H GLY B 4 94.873 -17.094 22.791 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.006 -18.514 24.166 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.485 -16.862 24.436 1.00 0.00 H new ATOM 904 N ILE B 5 94.246 -17.779 25.830 1.00 0.00 N ATOM 905 CA ILE B 5 93.488 -18.144 27.048 1.00 0.00 C ATOM 906 C ILE B 5 93.192 -19.637 27.060 1.00 0.00 C ATOM 907 O ILE B 5 93.264 -20.277 28.086 1.00 0.00 O ATOM 908 CB ILE B 5 92.190 -17.342 27.106 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.544 -15.880 27.367 1.00 0.00 C ATOM 910 CG2 ILE B 5 91.300 -17.864 28.244 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.316 -14.994 27.164 1.00 0.00 C ATOM 0 H ILE B 5 93.793 -17.094 25.226 1.00 0.00 H new ATOM 0 HA ILE B 5 94.090 -17.908 27.926 1.00 0.00 H new ATOM 0 HB ILE B 5 91.649 -17.442 26.165 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.920 -15.765 28.384 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.343 -15.566 26.695 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.376 -17.286 28.278 1.00 0.00 H new ATOM 0 HG22 ILE B 5 91.065 -18.914 28.070 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.826 -17.763 29.193 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.582 -13.954 27.353 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.959 -15.096 26.139 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.529 -15.299 27.854 1.00 0.00 H new ATOM 923 N ASP B 6 92.862 -20.209 25.937 1.00 0.00 N ATOM 924 CA ASP B 6 92.565 -21.662 25.929 1.00 0.00 C ATOM 925 C ASP B 6 93.728 -22.421 26.561 1.00 0.00 C ATOM 926 O ASP B 6 93.537 -23.246 27.432 1.00 0.00 O ATOM 927 CB ASP B 6 92.372 -22.128 24.487 1.00 0.00 C ATOM 928 CG ASP B 6 91.931 -23.589 24.476 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.855 -24.174 25.545 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.684 -24.103 23.398 1.00 0.00 O ATOM 0 H ASP B 6 92.786 -19.738 25.036 1.00 0.00 H new ATOM 0 HA ASP B 6 91.656 -21.855 26.499 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.625 -21.508 23.991 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.302 -22.014 23.930 1.00 0.00 H new ATOM 935 N LYS B 7 94.930 -22.146 26.149 1.00 0.00 N ATOM 936 CA LYS B 7 96.086 -22.860 26.761 1.00 0.00 C ATOM 937 C LYS B 7 96.260 -22.401 28.215 1.00 0.00 C ATOM 938 O LYS B 7 96.452 -23.199 29.114 1.00 0.00 O ATOM 939 CB LYS B 7 97.356 -22.541 25.971 1.00 0.00 C ATOM 940 CG LYS B 7 97.245 -23.086 24.546 1.00 0.00 C ATOM 941 CD LYS B 7 98.573 -22.840 23.826 1.00 0.00 C ATOM 942 CE LYS B 7 98.447 -23.210 22.344 1.00 0.00 C ATOM 943 NZ LYS B 7 97.554 -22.241 21.642 1.00 0.00 N ATOM 0 H LYS B 7 95.164 -21.467 25.424 1.00 0.00 H new ATOM 0 HA LYS B 7 95.903 -23.934 26.739 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.515 -21.463 25.944 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.222 -22.978 26.469 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.016 -24.152 24.565 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.430 -22.594 24.015 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.860 -21.793 23.924 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.362 -23.431 24.290 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.432 -23.211 21.877 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.047 -24.219 22.247 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.710 -22.305 20.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 96.561 -22.466 21.856 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.767 -21.276 21.965 1.00 0.00 H new ATOM 957 N ALA B 8 96.186 -21.118 28.453 1.00 0.00 N ATOM 958 CA ALA B 8 96.346 -20.602 29.846 1.00 0.00 C ATOM 959 C ALA B 8 95.195 -21.078 30.714 1.00 0.00 C ATOM 960 O ALA B 8 95.342 -21.291 31.904 1.00 0.00 O ATOM 961 CB ALA B 8 96.360 -19.074 29.832 1.00 0.00 C ATOM 0 H ALA B 8 96.022 -20.404 27.743 1.00 0.00 H new ATOM 0 HA ALA B 8 97.286 -20.976 30.252 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.477 -18.702 30.850 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.191 -18.723 29.220 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.422 -18.705 29.416 1.00 0.00 H new ATOM 967 N GLN B 9 94.041 -21.220 30.140 1.00 0.00 N ATOM 968 CA GLN B 9 92.875 -21.672 30.934 1.00 0.00 C ATOM 969 C GLN B 9 93.166 -23.033 31.543 1.00 0.00 C ATOM 970 O GLN B 9 92.839 -23.302 32.682 1.00 0.00 O ATOM 971 CB GLN B 9 91.652 -21.769 30.029 1.00 0.00 C ATOM 972 CG GLN B 9 90.416 -22.036 30.881 1.00 0.00 C ATOM 973 CD GLN B 9 89.187 -22.169 29.977 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.246 -21.864 28.802 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.073 -22.632 30.475 1.00 0.00 N ATOM 0 H GLN B 9 93.854 -21.042 29.153 1.00 0.00 H new ATOM 0 HA GLN B 9 92.682 -20.955 31.732 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.527 -20.844 29.466 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.786 -22.569 29.301 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.553 -22.948 31.462 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.270 -21.223 31.593 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.023 -22.888 31.461 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.253 -22.738 29.878 1.00 0.00 H new ATOM 984 N GLU B 10 93.774 -23.901 30.786 1.00 0.00 N ATOM 985 CA GLU B 10 94.090 -25.247 31.318 1.00 0.00 C ATOM 986 C GLU B 10 95.023 -25.085 32.513 1.00 0.00 C ATOM 987 O GLU B 10 94.860 -25.719 33.539 1.00 0.00 O ATOM 988 CB GLU B 10 94.774 -26.068 30.219 1.00 0.00 C ATOM 989 CG GLU B 10 94.879 -27.531 30.651 1.00 0.00 C ATOM 990 CD GLU B 10 93.501 -28.181 30.550 1.00 0.00 C ATOM 991 OE1 GLU B 10 93.187 -28.687 29.487 1.00 0.00 O ATOM 992 OE2 GLU B 10 92.776 -28.148 31.533 1.00 0.00 O ATOM 0 H GLU B 10 94.064 -23.734 29.823 1.00 0.00 H new ATOM 0 HA GLU B 10 93.182 -25.762 31.632 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.207 -25.994 29.291 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.767 -25.667 30.018 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.592 -28.060 30.018 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.251 -27.596 31.673 1.00 0.00 H new ATOM 999 N GLU B 11 95.993 -24.215 32.398 1.00 0.00 N ATOM 1000 CA GLU B 11 96.925 -23.985 33.534 1.00 0.00 C ATOM 1001 C GLU B 11 96.122 -23.499 34.732 1.00 0.00 C ATOM 1002 O GLU B 11 96.360 -23.893 35.854 1.00 0.00 O ATOM 1003 CB GLU B 11 97.965 -22.925 33.149 1.00 0.00 C ATOM 1004 CG GLU B 11 98.952 -22.708 34.311 1.00 0.00 C ATOM 1005 CD GLU B 11 98.330 -21.794 35.373 1.00 0.00 C ATOM 1006 OE1 GLU B 11 97.323 -21.170 35.077 1.00 0.00 O ATOM 1007 OE2 GLU B 11 98.871 -21.735 36.468 1.00 0.00 O ATOM 0 H GLU B 11 96.177 -23.656 31.565 1.00 0.00 H new ATOM 0 HA GLU B 11 97.441 -24.913 33.781 1.00 0.00 H new ATOM 0 HB2 GLU B 11 98.505 -23.241 32.257 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.467 -21.987 32.904 1.00 0.00 H new ATOM 0 HG2 GLU B 11 99.217 -23.667 34.756 1.00 0.00 H new ATOM 0 HG3 GLU B 11 99.875 -22.265 33.936 1.00 0.00 H new ATOM 1014 N HIS B 12 95.167 -22.639 34.504 1.00 0.00 N ATOM 1015 CA HIS B 12 94.350 -22.137 35.637 1.00 0.00 C ATOM 1016 C HIS B 12 93.572 -23.290 36.271 1.00 0.00 C ATOM 1017 O HIS B 12 93.527 -23.437 37.470 1.00 0.00 O ATOM 1018 CB HIS B 12 93.351 -21.080 35.156 1.00 0.00 C ATOM 1019 CG HIS B 12 92.575 -20.597 36.351 1.00 0.00 C ATOM 1020 ND1 HIS B 12 92.756 -19.322 36.914 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.695 -21.247 37.175 1.00 0.00 C ATOM 1022 CE1 HIS B 12 92.005 -19.266 38.040 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.364 -20.411 38.212 1.00 0.00 N ATOM 0 H HIS B 12 94.921 -22.266 33.587 1.00 0.00 H new ATOM 0 HA HIS B 12 95.025 -21.692 36.369 1.00 0.00 H new ATOM 0 HB2 HIS B 12 93.874 -20.250 34.680 1.00 0.00 H new ATOM 0 HB3 HIS B 12 92.678 -21.503 34.410 1.00 0.00 H new ATOM 0 HD1 HIS B 12 93.345 -18.576 36.543 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.323 -22.251 37.032 1.00 0.00 H new ATOM 0 HE1 HIS B 12 91.939 -18.413 38.700 1.00 0.00 H new ATOM 1031 N GLU B 13 92.933 -24.096 35.472 1.00 0.00 N ATOM 1032 CA GLU B 13 92.134 -25.223 36.038 1.00 0.00 C ATOM 1033 C GLU B 13 93.040 -26.158 36.849 1.00 0.00 C ATOM 1034 O GLU B 13 92.674 -26.633 37.907 1.00 0.00 O ATOM 1035 CB GLU B 13 91.491 -26.009 34.890 1.00 0.00 C ATOM 1036 CG GLU B 13 90.496 -27.025 35.452 1.00 0.00 C ATOM 1037 CD GLU B 13 89.948 -27.883 34.310 1.00 0.00 C ATOM 1038 OE1 GLU B 13 89.300 -27.327 33.435 1.00 0.00 O ATOM 1039 OE2 GLU B 13 90.187 -29.081 34.326 1.00 0.00 O ATOM 0 H GLU B 13 92.928 -24.026 34.454 1.00 0.00 H new ATOM 0 HA GLU B 13 91.361 -24.821 36.694 1.00 0.00 H new ATOM 0 HB2 GLU B 13 90.982 -25.326 34.210 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.260 -26.521 34.312 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.984 -27.656 36.194 1.00 0.00 H new ATOM 0 HG3 GLU B 13 89.680 -26.510 35.959 1.00 0.00 H new ATOM 1046 N LYS B 14 94.206 -26.438 36.343 1.00 0.00 N ATOM 1047 CA LYS B 14 95.148 -27.359 37.046 1.00 0.00 C ATOM 1048 C LYS B 14 95.581 -26.824 38.425 1.00 0.00 C ATOM 1049 O LYS B 14 95.830 -27.599 39.327 1.00 0.00 O ATOM 1050 CB LYS B 14 96.391 -27.555 36.174 1.00 0.00 C ATOM 1051 CG LYS B 14 96.034 -28.375 34.929 1.00 0.00 C ATOM 1052 CD LYS B 14 97.255 -28.477 33.998 1.00 0.00 C ATOM 1053 CE LYS B 14 98.240 -29.537 34.512 1.00 0.00 C ATOM 1054 NZ LYS B 14 97.526 -30.820 34.765 1.00 0.00 N ATOM 0 H LYS B 14 94.554 -26.064 35.460 1.00 0.00 H new ATOM 0 HA LYS B 14 94.627 -28.302 37.210 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.794 -26.586 35.878 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.169 -28.064 36.744 1.00 0.00 H new ATOM 0 HG2 LYS B 14 95.706 -29.372 35.222 1.00 0.00 H new ATOM 0 HG3 LYS B 14 95.202 -27.908 34.402 1.00 0.00 H new ATOM 0 HD2 LYS B 14 96.930 -28.734 32.990 1.00 0.00 H new ATOM 0 HD3 LYS B 14 97.753 -27.510 33.936 1.00 0.00 H new ATOM 0 HE2 LYS B 14 99.034 -29.692 33.781 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.715 -29.189 35.429 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 98.194 -31.612 34.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 97.123 -30.810 35.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 96.762 -30.935 34.069 1.00 0.00 H new ATOM 1068 N TYR B 15 95.730 -25.522 38.592 1.00 0.00 N ATOM 1069 CA TYR B 15 96.218 -24.984 39.920 1.00 0.00 C ATOM 1070 C TYR B 15 95.418 -23.765 40.395 1.00 0.00 C ATOM 1071 O TYR B 15 95.621 -23.297 41.496 1.00 0.00 O ATOM 1072 CB TYR B 15 97.676 -24.545 39.757 1.00 0.00 C ATOM 1073 CG TYR B 15 98.453 -25.632 39.063 1.00 0.00 C ATOM 1074 CD1 TYR B 15 99.009 -26.667 39.818 1.00 0.00 C ATOM 1075 CD2 TYR B 15 98.598 -25.616 37.668 1.00 0.00 C ATOM 1076 CE1 TYR B 15 99.717 -27.687 39.184 1.00 0.00 C ATOM 1077 CE2 TYR B 15 99.306 -26.644 37.033 1.00 0.00 C ATOM 1078 CZ TYR B 15 99.863 -27.680 37.794 1.00 0.00 C ATOM 1079 OH TYR B 15 100.555 -28.698 37.178 1.00 0.00 O ATOM 0 H TYR B 15 95.539 -24.817 37.880 1.00 0.00 H new ATOM 0 HA TYR B 15 96.100 -25.778 40.657 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.727 -23.622 39.180 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.115 -24.335 40.732 1.00 0.00 H new ATOM 0 HD1 TYR B 15 98.891 -26.677 40.891 1.00 0.00 H new ATOM 0 HD2 TYR B 15 98.166 -24.815 37.087 1.00 0.00 H new ATOM 0 HE1 TYR B 15 100.153 -28.484 39.768 1.00 0.00 H new ATOM 0 HE2 TYR B 15 99.422 -26.638 35.959 1.00 0.00 H new ATOM 0 HH TYR B 15 100.461 -29.521 37.701 1.00 0.00 H new ATOM 1089 N HIS B 16 94.563 -23.219 39.580 1.00 0.00 N ATOM 1090 CA HIS B 16 93.805 -21.999 39.999 1.00 0.00 C ATOM 1091 C HIS B 16 94.830 -20.930 40.366 1.00 0.00 C ATOM 1092 O HIS B 16 94.709 -20.244 41.362 1.00 0.00 O ATOM 1093 CB HIS B 16 92.893 -22.282 41.210 1.00 0.00 C ATOM 1094 CG HIS B 16 91.771 -23.207 40.829 1.00 0.00 C ATOM 1095 ND1 HIS B 16 90.594 -22.788 40.221 1.00 0.00 N ATOM 1096 CD2 HIS B 16 91.620 -24.564 40.976 1.00 0.00 C ATOM 1097 CE1 HIS B 16 89.799 -23.840 40.017 1.00 0.00 C ATOM 1098 NE2 HIS B 16 90.380 -24.959 40.464 1.00 0.00 N ATOM 0 H HIS B 16 94.353 -23.560 38.642 1.00 0.00 H new ATOM 0 HA HIS B 16 93.162 -21.672 39.182 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.478 -22.725 42.016 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.485 -21.346 41.590 1.00 0.00 H new ATOM 0 HD2 HIS B 16 92.349 -25.226 41.420 1.00 0.00 H new ATOM 0 HE1 HIS B 16 88.823 -23.794 39.556 1.00 0.00 H new ATOM 0 HE2 HIS B 16 89.998 -25.904 40.437 1.00 0.00 H new ATOM 1106 N SER B 17 95.856 -20.802 39.568 1.00 0.00 N ATOM 1107 CA SER B 17 96.914 -19.804 39.861 1.00 0.00 C ATOM 1108 C SER B 17 96.349 -18.389 39.786 1.00 0.00 C ATOM 1109 O SER B 17 95.324 -18.145 39.179 1.00 0.00 O ATOM 1110 CB SER B 17 98.043 -19.939 38.847 1.00 0.00 C ATOM 1111 OG SER B 17 97.574 -19.534 37.570 1.00 0.00 O ATOM 0 H SER B 17 96.004 -21.351 38.721 1.00 0.00 H new ATOM 0 HA SER B 17 97.292 -19.987 40.867 1.00 0.00 H new ATOM 0 HB2 SER B 17 98.893 -19.326 39.147 1.00 0.00 H new ATOM 0 HB3 SER B 17 98.392 -20.971 38.809 1.00 0.00 H new ATOM 0 HG SER B 17 97.050 -20.258 37.169 1.00 0.00 H new ATOM 1117 N ASN B 18 97.023 -17.455 40.399 1.00 0.00 N ATOM 1118 CA ASN B 18 96.555 -16.042 40.368 1.00 0.00 C ATOM 1119 C ASN B 18 96.821 -15.453 38.976 1.00 0.00 C ATOM 1120 O ASN B 18 97.618 -15.970 38.216 1.00 0.00 O ATOM 1121 CB ASN B 18 97.313 -15.241 41.427 1.00 0.00 C ATOM 1122 CG ASN B 18 97.036 -15.825 42.817 1.00 0.00 C ATOM 1123 OD1 ASN B 18 96.039 -16.492 43.023 1.00 0.00 O ATOM 1124 ND2 ASN B 18 97.889 -15.608 43.782 1.00 0.00 N ATOM 0 H ASN B 18 97.884 -17.612 40.923 1.00 0.00 H new ATOM 0 HA ASN B 18 95.486 -15.997 40.578 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.383 -15.266 41.219 1.00 0.00 H new ATOM 0 HB3 ASN B 18 97.006 -14.196 41.394 1.00 0.00 H new ATOM 0 HD21 ASN B 18 97.720 -15.998 44.709 1.00 0.00 H new ATOM 0 HD22 ASN B 18 98.724 -15.049 43.608 1.00 0.00 H new ATOM 1131 N TRP B 19 96.152 -14.382 38.626 1.00 0.00 N ATOM 1132 CA TRP B 19 96.367 -13.784 37.274 1.00 0.00 C ATOM 1133 C TRP B 19 97.829 -13.386 37.099 1.00 0.00 C ATOM 1134 O TRP B 19 98.369 -13.432 36.008 1.00 0.00 O ATOM 1135 CB TRP B 19 95.446 -12.566 37.070 1.00 0.00 C ATOM 1136 CG TRP B 19 95.890 -11.405 37.896 1.00 0.00 C ATOM 1137 CD1 TRP B 19 95.349 -11.029 39.081 1.00 0.00 C ATOM 1138 CD2 TRP B 19 96.936 -10.445 37.597 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.009 -9.896 39.529 1.00 0.00 N ATOM 1140 CE2 TRP B 19 96.999 -9.500 38.647 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.830 -10.309 36.524 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.923 -8.455 38.631 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.761 -9.260 36.503 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.807 -8.334 37.555 1.00 0.00 C ATOM 0 H TRP B 19 95.472 -13.900 39.213 1.00 0.00 H new ATOM 0 HA TRP B 19 96.118 -14.531 36.520 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.440 -12.285 36.017 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.423 -12.833 37.334 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.539 -11.529 39.591 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.792 -9.414 40.401 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.801 -11.017 35.709 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.955 -7.745 39.444 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.445 -9.165 35.673 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.525 -7.528 37.534 1.00 0.00 H new ATOM 1155 N ARG B 20 98.482 -13.006 38.158 1.00 0.00 N ATOM 1156 CA ARG B 20 99.913 -12.611 38.035 1.00 0.00 C ATOM 1157 C ARG B 20 100.753 -13.794 37.560 1.00 0.00 C ATOM 1158 O ARG B 20 101.649 -13.644 36.755 1.00 0.00 O ATOM 1159 CB ARG B 20 100.443 -12.157 39.400 1.00 0.00 C ATOM 1160 CG ARG B 20 99.712 -10.888 39.840 1.00 0.00 C ATOM 1161 CD ARG B 20 100.232 -10.422 41.206 1.00 0.00 C ATOM 1162 NE ARG B 20 99.552 -9.154 41.589 1.00 0.00 N ATOM 1163 CZ ARG B 20 99.564 -8.757 42.832 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.187 -9.463 43.736 1.00 0.00 N ATOM 1165 NH2 ARG B 20 98.961 -7.652 43.170 1.00 0.00 N ATOM 0 H ARG B 20 98.092 -12.951 39.099 1.00 0.00 H new ATOM 0 HA ARG B 20 99.984 -11.798 37.312 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.298 -12.946 40.138 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.515 -11.969 39.341 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.857 -10.101 39.100 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.640 -11.078 39.897 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.047 -11.188 41.959 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.311 -10.271 41.164 1.00 0.00 H new ATOM 0 HE ARG B 20 99.077 -8.596 40.880 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.664 -10.325 43.471 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.197 -9.153 44.708 1.00 0.00 H new ATOM 0 HH21 ARG B 20 98.479 -7.097 42.463 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.971 -7.342 44.142 1.00 0.00 H new ATOM 1179 N ALA B 21 100.484 -14.962 38.057 1.00 0.00 N ATOM 1180 CA ALA B 21 101.287 -16.142 37.642 1.00 0.00 C ATOM 1181 C ALA B 21 101.017 -16.473 36.172 1.00 0.00 C ATOM 1182 O ALA B 21 101.929 -16.652 35.390 1.00 0.00 O ATOM 1183 CB ALA B 21 100.916 -17.323 38.538 1.00 0.00 C ATOM 0 H ALA B 21 99.744 -15.153 38.732 1.00 0.00 H new ATOM 0 HA ALA B 21 102.350 -15.926 37.747 1.00 0.00 H new ATOM 0 HB1 ALA B 21 101.497 -18.198 38.246 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.132 -17.074 39.577 1.00 0.00 H new ATOM 0 HB3 ALA B 21 99.853 -17.541 38.431 1.00 0.00 H new ATOM 1189 N MET B 22 99.776 -16.547 35.786 1.00 0.00 N ATOM 1190 CA MET B 22 99.462 -16.853 34.363 1.00 0.00 C ATOM 1191 C MET B 22 100.044 -15.762 33.479 1.00 0.00 C ATOM 1192 O MET B 22 100.560 -16.021 32.411 1.00 0.00 O ATOM 1193 CB MET B 22 97.949 -16.901 34.168 1.00 0.00 C ATOM 1194 CG MET B 22 97.373 -18.019 35.031 1.00 0.00 C ATOM 1195 SD MET B 22 95.623 -18.261 34.635 1.00 0.00 S ATOM 1196 CE MET B 22 94.976 -16.755 35.403 1.00 0.00 C ATOM 0 H MET B 22 98.967 -16.409 36.391 1.00 0.00 H new ATOM 0 HA MET B 22 99.892 -17.818 34.096 1.00 0.00 H new ATOM 0 HB2 MET B 22 97.503 -15.945 34.443 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.710 -17.074 33.119 1.00 0.00 H new ATOM 0 HG2 MET B 22 97.925 -18.943 34.861 1.00 0.00 H new ATOM 0 HG3 MET B 22 97.485 -17.771 36.086 1.00 0.00 H new ATOM 0 HE1 MET B 22 93.892 -16.828 35.491 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.413 -16.636 36.394 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.233 -15.893 34.787 1.00 0.00 H new ATOM 1206 N ALA B 23 99.957 -14.540 33.910 1.00 0.00 N ATOM 1207 CA ALA B 23 100.501 -13.433 33.083 1.00 0.00 C ATOM 1208 C ALA B 23 101.976 -13.695 32.790 1.00 0.00 C ATOM 1209 O ALA B 23 102.427 -13.574 31.669 1.00 0.00 O ATOM 1210 CB ALA B 23 100.361 -12.116 33.843 1.00 0.00 C ATOM 0 H ALA B 23 99.535 -14.259 34.795 1.00 0.00 H new ATOM 0 HA ALA B 23 99.948 -13.374 32.145 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.760 -11.302 33.237 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.308 -11.928 34.055 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.915 -12.176 34.780 1.00 0.00 H new ATOM 1216 N SER B 24 102.728 -14.052 33.793 1.00 0.00 N ATOM 1217 CA SER B 24 104.180 -14.332 33.594 1.00 0.00 C ATOM 1218 C SER B 24 104.353 -15.623 32.796 1.00 0.00 C ATOM 1219 O SER B 24 105.224 -15.740 31.957 1.00 0.00 O ATOM 1220 CB SER B 24 104.849 -14.479 34.958 1.00 0.00 C ATOM 1221 OG SER B 24 106.257 -14.572 34.789 1.00 0.00 O ATOM 0 H SER B 24 102.397 -14.163 34.751 1.00 0.00 H new ATOM 0 HA SER B 24 104.639 -13.511 33.044 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.604 -13.625 35.589 1.00 0.00 H new ATOM 0 HB3 SER B 24 104.474 -15.368 35.465 1.00 0.00 H new ATOM 0 HG SER B 24 106.686 -14.665 35.665 1.00 0.00 H new ATOM 1227 N ASP B 25 103.534 -16.600 33.070 1.00 0.00 N ATOM 1228 CA ASP B 25 103.641 -17.904 32.355 1.00 0.00 C ATOM 1229 C ASP B 25 103.460 -17.703 30.849 1.00 0.00 C ATOM 1230 O ASP B 25 104.132 -18.330 30.053 1.00 0.00 O ATOM 1231 CB ASP B 25 102.558 -18.842 32.881 1.00 0.00 C ATOM 1232 CG ASP B 25 102.730 -20.229 32.260 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.369 -20.321 31.225 1.00 0.00 O ATOM 1234 OD2 ASP B 25 102.218 -21.176 32.833 1.00 0.00 O ATOM 0 H ASP B 25 102.789 -16.551 33.765 1.00 0.00 H new ATOM 0 HA ASP B 25 104.627 -18.333 32.531 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.618 -18.909 33.967 1.00 0.00 H new ATOM 0 HB3 ASP B 25 101.572 -18.445 32.640 1.00 0.00 H new ATOM 1239 N PHE B 26 102.556 -16.839 30.451 1.00 0.00 N ATOM 1240 CA PHE B 26 102.327 -16.587 28.986 1.00 0.00 C ATOM 1241 C PHE B 26 102.780 -15.176 28.621 1.00 0.00 C ATOM 1242 O PHE B 26 102.692 -14.767 27.481 1.00 0.00 O ATOM 1243 CB PHE B 26 100.841 -16.730 28.660 1.00 0.00 C ATOM 1244 CG PHE B 26 100.430 -18.158 28.877 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.542 -19.086 27.833 1.00 0.00 C ATOM 1246 CD2 PHE B 26 99.957 -18.561 30.125 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.176 -20.417 28.041 1.00 0.00 C ATOM 1248 CE2 PHE B 26 99.595 -19.892 30.336 1.00 0.00 C ATOM 1249 CZ PHE B 26 99.703 -20.821 29.295 1.00 0.00 C ATOM 0 H PHE B 26 101.963 -16.294 31.078 1.00 0.00 H new ATOM 0 HA PHE B 26 102.902 -17.315 28.414 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.251 -16.068 29.293 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.652 -16.436 27.628 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.911 -18.772 26.868 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.871 -17.844 30.928 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.258 -21.133 27.237 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.231 -20.205 31.303 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.421 -21.851 29.459 1.00 0.00 H new ATOM 1259 N ASN B 27 103.266 -14.430 29.577 1.00 0.00 N ATOM 1260 CA ASN B 27 103.727 -13.045 29.279 1.00 0.00 C ATOM 1261 C ASN B 27 102.589 -12.233 28.644 1.00 0.00 C ATOM 1262 O ASN B 27 102.764 -11.603 27.619 1.00 0.00 O ATOM 1263 CB ASN B 27 104.918 -13.102 28.323 1.00 0.00 C ATOM 1264 CG ASN B 27 105.548 -11.717 28.245 1.00 0.00 C ATOM 1265 OD1 ASN B 27 105.482 -11.059 27.223 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.170 -11.250 29.287 1.00 0.00 N ATOM 0 H ASN B 27 103.363 -14.720 30.550 1.00 0.00 H new ATOM 0 HA ASN B 27 104.027 -12.560 30.208 1.00 0.00 H new ATOM 0 HB2 ASN B 27 105.649 -13.831 28.673 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.594 -13.426 27.334 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.605 -10.328 29.250 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.222 -11.805 30.141 1.00 0.00 H new ATOM 1273 N LEU B 28 101.426 -12.242 29.253 1.00 0.00 N ATOM 1274 CA LEU B 28 100.255 -11.472 28.705 1.00 0.00 C ATOM 1275 C LEU B 28 99.824 -10.425 29.737 1.00 0.00 C ATOM 1276 O LEU B 28 99.991 -10.627 30.922 1.00 0.00 O ATOM 1277 CB LEU B 28 99.092 -12.444 28.456 1.00 0.00 C ATOM 1278 CG LEU B 28 99.450 -13.400 27.305 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.474 -14.583 27.281 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.378 -12.656 25.959 1.00 0.00 C ATOM 0 H LEU B 28 101.233 -12.754 30.114 1.00 0.00 H new ATOM 0 HA LEU B 28 100.532 -10.981 27.772 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.881 -13.013 29.361 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.187 -11.888 28.211 1.00 0.00 H new ATOM 0 HG LEU B 28 100.464 -13.769 27.462 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.736 -15.254 26.463 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.533 -15.123 28.226 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.459 -14.214 27.137 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.633 -13.341 25.150 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.368 -12.276 25.807 1.00 0.00 H new ATOM 0 HD23 LEU B 28 100.082 -11.824 25.965 1.00 0.00 H new ATOM 1292 N PRO B 29 99.275 -9.306 29.310 1.00 0.00 N ATOM 1293 CA PRO B 29 98.836 -8.248 30.258 1.00 0.00 C ATOM 1294 C PRO B 29 97.772 -8.776 31.236 1.00 0.00 C ATOM 1295 O PRO B 29 96.991 -9.640 30.892 1.00 0.00 O ATOM 1296 CB PRO B 29 98.255 -7.132 29.359 1.00 0.00 C ATOM 1297 CG PRO B 29 98.016 -7.768 28.023 1.00 0.00 C ATOM 1298 CD PRO B 29 99.017 -8.922 27.908 1.00 0.00 C ATOM 0 HA PRO B 29 99.658 -7.893 30.879 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.328 -6.737 29.775 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.949 -6.296 29.276 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.992 -8.133 27.944 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.160 -7.047 27.218 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.605 -9.753 27.335 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.932 -8.609 27.404 1.00 0.00 H new ATOM 1306 N PRO B 30 97.733 -8.265 32.436 1.00 0.00 N ATOM 1307 CA PRO B 30 96.738 -8.713 33.435 1.00 0.00 C ATOM 1308 C PRO B 30 95.348 -8.855 32.808 1.00 0.00 C ATOM 1309 O PRO B 30 94.539 -9.653 33.230 1.00 0.00 O ATOM 1310 CB PRO B 30 96.733 -7.601 34.503 1.00 0.00 C ATOM 1311 CG PRO B 30 98.001 -6.803 34.305 1.00 0.00 C ATOM 1312 CD PRO B 30 98.629 -7.223 32.965 1.00 0.00 C ATOM 0 HA PRO B 30 96.988 -9.691 33.847 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.855 -6.965 34.395 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.697 -8.027 35.505 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.782 -5.735 34.304 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.696 -6.985 35.124 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.700 -6.378 32.280 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.640 -7.605 33.105 1.00 0.00 H new ATOM 1320 N VAL B 31 95.063 -8.065 31.817 1.00 0.00 N ATOM 1321 CA VAL B 31 93.721 -8.130 31.182 1.00 0.00 C ATOM 1322 C VAL B 31 93.394 -9.563 30.776 1.00 0.00 C ATOM 1323 O VAL B 31 92.346 -10.086 31.104 1.00 0.00 O ATOM 1324 CB VAL B 31 93.729 -7.230 29.930 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.512 -7.518 29.029 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.709 -5.760 30.365 1.00 0.00 C ATOM 0 H VAL B 31 95.701 -7.376 31.418 1.00 0.00 H new ATOM 0 HA VAL B 31 92.966 -7.790 31.891 1.00 0.00 H new ATOM 0 HB VAL B 31 94.633 -7.441 29.358 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.545 -6.868 28.154 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.535 -8.560 28.708 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.594 -7.330 29.586 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.715 -5.119 29.483 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.809 -5.566 30.949 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.589 -5.548 30.973 1.00 0.00 H new ATOM 1336 N VAL B 32 94.259 -10.195 30.049 1.00 0.00 N ATOM 1337 CA VAL B 32 93.952 -11.581 29.612 1.00 0.00 C ATOM 1338 C VAL B 32 93.950 -12.516 30.817 1.00 0.00 C ATOM 1339 O VAL B 32 93.024 -13.272 31.026 1.00 0.00 O ATOM 1340 CB VAL B 32 94.992 -12.038 28.589 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.728 -13.496 28.212 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.885 -11.155 27.338 1.00 0.00 C ATOM 0 H VAL B 32 95.156 -9.821 29.739 1.00 0.00 H new ATOM 0 HA VAL B 32 92.965 -11.605 29.150 1.00 0.00 H new ATOM 0 HB VAL B 32 95.992 -11.952 29.014 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.469 -13.823 27.483 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.796 -14.120 29.103 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.731 -13.586 27.781 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.624 -11.474 26.603 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.886 -11.247 26.912 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.069 -10.116 27.609 1.00 0.00 H new ATOM 1352 N ALA B 33 94.972 -12.467 31.614 1.00 0.00 N ATOM 1353 CA ALA B 33 95.027 -13.354 32.803 1.00 0.00 C ATOM 1354 C ALA B 33 93.874 -13.032 33.768 1.00 0.00 C ATOM 1355 O ALA B 33 93.216 -13.927 34.266 1.00 0.00 O ATOM 1356 CB ALA B 33 96.365 -13.146 33.510 1.00 0.00 C ATOM 0 H ALA B 33 95.775 -11.850 31.495 1.00 0.00 H new ATOM 0 HA ALA B 33 94.929 -14.392 32.484 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.418 -13.792 34.386 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.179 -13.392 32.828 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.454 -12.105 33.821 1.00 0.00 H new ATOM 1362 N LYS B 34 93.614 -11.772 34.038 1.00 0.00 N ATOM 1363 CA LYS B 34 92.497 -11.438 34.979 1.00 0.00 C ATOM 1364 C LYS B 34 91.163 -11.963 34.433 1.00 0.00 C ATOM 1365 O LYS B 34 90.312 -12.407 35.181 1.00 0.00 O ATOM 1366 CB LYS B 34 92.419 -9.919 35.193 1.00 0.00 C ATOM 1367 CG LYS B 34 93.621 -9.451 36.029 1.00 0.00 C ATOM 1368 CD LYS B 34 93.622 -7.921 36.131 1.00 0.00 C ATOM 1369 CE LYS B 34 92.525 -7.452 37.090 1.00 0.00 C ATOM 1370 NZ LYS B 34 92.809 -6.053 37.506 1.00 0.00 N ATOM 0 H LYS B 34 94.119 -10.973 33.654 1.00 0.00 H new ATOM 0 HA LYS B 34 92.695 -11.919 35.937 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.411 -9.406 34.231 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.489 -9.661 35.699 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.575 -9.891 37.025 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.549 -9.794 35.572 1.00 0.00 H new ATOM 0 HD2 LYS B 34 94.594 -7.574 36.482 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.464 -7.484 35.145 1.00 0.00 H new ATOM 0 HE2 LYS B 34 91.551 -7.510 36.604 1.00 0.00 H new ATOM 0 HE3 LYS B 34 92.485 -8.103 37.963 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 92.067 -5.727 38.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.732 -6.013 37.984 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.827 -5.438 36.667 1.00 0.00 H new ATOM 1384 N GLU B 35 90.963 -11.913 33.141 1.00 0.00 N ATOM 1385 CA GLU B 35 89.677 -12.408 32.566 1.00 0.00 C ATOM 1386 C GLU B 35 89.497 -13.895 32.880 1.00 0.00 C ATOM 1387 O GLU B 35 88.407 -14.346 33.178 1.00 0.00 O ATOM 1388 CB GLU B 35 89.694 -12.204 31.052 1.00 0.00 C ATOM 1389 CG GLU B 35 88.287 -12.401 30.469 1.00 0.00 C ATOM 1390 CD GLU B 35 87.936 -13.894 30.413 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.850 -14.700 30.436 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.759 -14.204 30.345 1.00 0.00 O ATOM 0 H GLU B 35 91.633 -11.552 32.461 1.00 0.00 H new ATOM 0 HA GLU B 35 88.849 -11.852 33.006 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.055 -11.202 30.818 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.387 -12.908 30.592 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.556 -11.872 31.080 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.237 -11.971 29.468 1.00 0.00 H new ATOM 1399 N ILE B 36 90.548 -14.666 32.815 1.00 0.00 N ATOM 1400 CA ILE B 36 90.406 -16.118 33.120 1.00 0.00 C ATOM 1401 C ILE B 36 89.896 -16.278 34.550 1.00 0.00 C ATOM 1402 O ILE B 36 89.049 -17.098 34.831 1.00 0.00 O ATOM 1403 CB ILE B 36 91.763 -16.805 32.982 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.342 -16.483 31.603 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.600 -18.323 33.128 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.581 -17.344 31.335 1.00 0.00 C ATOM 0 H ILE B 36 91.488 -14.358 32.567 1.00 0.00 H new ATOM 0 HA ILE B 36 89.701 -16.573 32.424 1.00 0.00 H new ATOM 0 HB ILE B 36 92.435 -16.446 33.762 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.591 -16.664 30.834 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.606 -15.427 31.549 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.573 -18.805 33.028 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.181 -18.551 34.108 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.930 -18.693 32.352 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.984 -17.106 30.351 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.336 -17.142 32.095 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.306 -18.398 31.369 1.00 0.00 H new ATOM 1418 N VAL B 37 90.395 -15.484 35.454 1.00 0.00 N ATOM 1419 CA VAL B 37 89.933 -15.574 36.866 1.00 0.00 C ATOM 1420 C VAL B 37 88.448 -15.219 36.932 1.00 0.00 C ATOM 1421 O VAL B 37 87.691 -15.796 37.687 1.00 0.00 O ATOM 1422 CB VAL B 37 90.741 -14.593 37.726 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.159 -14.529 39.143 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.193 -15.066 37.807 1.00 0.00 C ATOM 0 H VAL B 37 91.105 -14.774 35.275 1.00 0.00 H new ATOM 0 HA VAL B 37 90.079 -16.587 37.241 1.00 0.00 H new ATOM 0 HB VAL B 37 90.694 -13.604 37.271 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.740 -13.830 39.744 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.123 -14.193 39.096 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.199 -15.519 39.598 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.769 -14.370 38.418 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.228 -16.058 38.257 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.619 -15.107 36.804 1.00 0.00 H new ATOM 1434 N ALA B 38 88.028 -14.268 36.148 1.00 0.00 N ATOM 1435 CA ALA B 38 86.597 -13.857 36.161 1.00 0.00 C ATOM 1436 C ALA B 38 85.686 -15.021 35.749 1.00 0.00 C ATOM 1437 O ALA B 38 84.561 -15.124 36.195 1.00 0.00 O ATOM 1438 CB ALA B 38 86.402 -12.692 35.190 1.00 0.00 C ATOM 0 H ALA B 38 88.618 -13.754 35.494 1.00 0.00 H new ATOM 0 HA ALA B 38 86.331 -13.554 37.174 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.356 -12.386 35.194 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.027 -11.853 35.498 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.684 -13.005 34.185 1.00 0.00 H new ATOM 1444 N SER B 39 86.150 -15.885 34.892 1.00 0.00 N ATOM 1445 CA SER B 39 85.289 -17.021 34.449 1.00 0.00 C ATOM 1446 C SER B 39 85.302 -18.147 35.491 1.00 0.00 C ATOM 1447 O SER B 39 84.402 -18.960 35.546 1.00 0.00 O ATOM 1448 CB SER B 39 85.815 -17.565 33.121 1.00 0.00 C ATOM 1449 OG SER B 39 85.821 -16.527 32.150 1.00 0.00 O ATOM 0 H SER B 39 87.082 -15.857 34.480 1.00 0.00 H new ATOM 0 HA SER B 39 84.267 -16.660 34.331 1.00 0.00 H new ATOM 0 HB2 SER B 39 86.822 -17.960 33.252 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.190 -18.391 32.781 1.00 0.00 H new ATOM 0 HG SER B 39 86.160 -16.877 31.300 1.00 0.00 H new ATOM 1455 N CYS B 40 86.321 -18.213 36.302 1.00 0.00 N ATOM 1456 CA CYS B 40 86.404 -19.297 37.324 1.00 0.00 C ATOM 1457 C CYS B 40 85.657 -18.893 38.601 1.00 0.00 C ATOM 1458 O CYS B 40 86.106 -18.053 39.356 1.00 0.00 O ATOM 1459 CB CYS B 40 87.872 -19.558 37.649 1.00 0.00 C ATOM 1460 SG CYS B 40 87.972 -20.803 38.950 1.00 0.00 S ATOM 0 H CYS B 40 87.104 -17.560 36.302 1.00 0.00 H new ATOM 0 HA CYS B 40 85.942 -20.200 36.926 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.400 -19.900 36.759 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.356 -18.636 37.972 1.00 0.00 H new ATOM 1465 N ASP B 41 84.529 -19.505 38.852 1.00 0.00 N ATOM 1466 CA ASP B 41 83.749 -19.189 40.085 1.00 0.00 C ATOM 1467 C ASP B 41 84.576 -19.581 41.319 1.00 0.00 C ATOM 1468 O ASP B 41 84.445 -19.003 42.379 1.00 0.00 O ATOM 1469 CB ASP B 41 82.432 -19.975 40.079 1.00 0.00 C ATOM 1470 CG ASP B 41 81.545 -19.496 38.923 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.765 -18.394 38.450 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.661 -20.241 38.532 1.00 0.00 O ATOM 0 H ASP B 41 84.112 -20.216 38.251 1.00 0.00 H new ATOM 0 HA ASP B 41 83.529 -18.122 40.114 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.635 -21.041 39.976 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.913 -19.839 41.028 1.00 0.00 H new ATOM 1477 N LYS B 42 85.421 -20.570 41.181 1.00 0.00 N ATOM 1478 CA LYS B 42 86.257 -21.024 42.336 1.00 0.00 C ATOM 1479 C LYS B 42 87.355 -19.998 42.622 1.00 0.00 C ATOM 1480 O LYS B 42 88.258 -20.238 43.398 1.00 0.00 O ATOM 1481 CB LYS B 42 86.883 -22.383 42.004 1.00 0.00 C ATOM 1482 CG LYS B 42 85.770 -23.405 41.786 1.00 0.00 C ATOM 1483 CD LYS B 42 86.376 -24.799 41.641 1.00 0.00 C ATOM 1484 CE LYS B 42 85.266 -25.793 41.307 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.700 -25.439 39.975 1.00 0.00 N ATOM 0 H LYS B 42 85.570 -21.086 40.314 1.00 0.00 H new ATOM 0 HA LYS B 42 85.630 -21.121 43.222 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.501 -22.304 41.110 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.536 -22.705 42.816 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.075 -23.385 42.625 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.199 -23.151 40.893 1.00 0.00 H new ATOM 0 HD2 LYS B 42 87.132 -24.801 40.855 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.876 -25.090 42.565 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.659 -26.810 41.294 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.488 -25.762 42.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 84.620 -26.297 39.393 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.758 -25.016 40.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 85.326 -24.757 39.502 1.00 0.00 H new ATOM 1499 N CYS B 43 87.287 -18.855 41.995 1.00 0.00 N ATOM 1500 CA CYS B 43 88.328 -17.804 42.218 1.00 0.00 C ATOM 1501 C CYS B 43 87.694 -16.414 42.076 1.00 0.00 C ATOM 1502 O CYS B 43 88.071 -15.482 42.756 1.00 0.00 O ATOM 1503 CB CYS B 43 89.435 -17.962 41.166 1.00 0.00 C ATOM 1504 SG CYS B 43 90.405 -19.461 41.495 1.00 0.00 S ATOM 0 H CYS B 43 86.553 -18.600 41.334 1.00 0.00 H new ATOM 0 HA CYS B 43 88.747 -17.912 43.218 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.995 -18.016 40.170 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.087 -17.088 41.179 1.00 0.00 H new ATOM 1509 N GLN B 44 86.737 -16.268 41.207 1.00 0.00 N ATOM 1510 CA GLN B 44 86.084 -14.937 41.030 1.00 0.00 C ATOM 1511 C GLN B 44 85.296 -14.574 42.291 1.00 0.00 C ATOM 1512 O GLN B 44 85.260 -13.436 42.713 1.00 0.00 O ATOM 1513 CB GLN B 44 85.138 -15.004 39.827 1.00 0.00 C ATOM 1514 CG GLN B 44 84.606 -13.607 39.499 1.00 0.00 C ATOM 1515 CD GLN B 44 83.695 -13.691 38.273 1.00 0.00 C ATOM 1516 OE1 GLN B 44 83.969 -12.960 37.229 1.00 0.00 O flip ATOM 1517 NE2 GLN B 44 82.730 -14.431 38.265 1.00 0.00 N flip ATOM 0 H GLN B 44 86.376 -17.011 40.609 1.00 0.00 H new ATOM 0 HA GLN B 44 86.843 -14.174 40.858 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.663 -15.414 38.964 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.308 -15.676 40.044 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.055 -13.206 40.350 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.434 -12.925 39.305 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.518 -15.002 39.083 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.132 -14.481 37.440 1.00 0.00 H new ATOM 1526 N LEU B 45 84.661 -15.539 42.890 1.00 0.00 N ATOM 1527 CA LEU B 45 83.863 -15.275 44.127 1.00 0.00 C ATOM 1528 C LEU B 45 84.777 -15.282 45.350 1.00 0.00 C ATOM 1529 O LEU B 45 84.475 -15.875 46.364 1.00 0.00 O ATOM 1530 CB LEU B 45 82.813 -16.365 44.290 1.00 0.00 C ATOM 1531 CG LEU B 45 81.828 -16.336 43.111 1.00 0.00 C ATOM 1532 CD1 LEU B 45 80.790 -17.450 43.298 1.00 0.00 C ATOM 1533 CD2 LEU B 45 81.109 -14.972 43.023 1.00 0.00 C ATOM 0 H LEU B 45 84.658 -16.510 42.576 1.00 0.00 H new ATOM 0 HA LEU B 45 83.382 -14.301 44.039 1.00 0.00 H new ATOM 0 HB2 LEU B 45 83.297 -17.340 44.345 1.00 0.00 H new ATOM 0 HB3 LEU B 45 82.274 -16.223 45.227 1.00 0.00 H new ATOM 0 HG LEU B 45 82.385 -16.489 42.187 1.00 0.00 H new ATOM 0 HD11 LEU B 45 80.087 -17.436 42.465 1.00 0.00 H new ATOM 0 HD12 LEU B 45 81.295 -18.416 43.331 1.00 0.00 H new ATOM 0 HD13 LEU B 45 80.250 -17.291 44.231 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.418 -14.979 42.180 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.556 -14.792 43.945 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.845 -14.181 42.882 1.00 0.00 H new ATOM 1545 N LYS B 46 85.888 -14.622 45.254 1.00 0.00 N ATOM 1546 CA LYS B 46 86.837 -14.570 46.404 1.00 0.00 C ATOM 1547 C LYS B 46 86.392 -13.471 47.376 1.00 0.00 C ATOM 1548 O LYS B 46 86.076 -12.370 46.973 1.00 0.00 O ATOM 1549 CB LYS B 46 88.236 -14.268 45.864 1.00 0.00 C ATOM 1550 CG LYS B 46 88.229 -12.932 45.113 1.00 0.00 C ATOM 1551 CD LYS B 46 89.538 -12.775 44.339 1.00 0.00 C ATOM 1552 CE LYS B 46 89.687 -11.322 43.879 1.00 0.00 C ATOM 1553 NZ LYS B 46 90.976 -11.149 43.154 1.00 0.00 N ATOM 0 H LYS B 46 86.188 -14.110 44.424 1.00 0.00 H new ATOM 0 HA LYS B 46 86.850 -15.522 46.934 1.00 0.00 H new ATOM 0 HB2 LYS B 46 88.952 -14.230 46.685 1.00 0.00 H new ATOM 0 HB3 LYS B 46 88.558 -15.068 45.197 1.00 0.00 H new ATOM 0 HG2 LYS B 46 87.382 -12.892 44.428 1.00 0.00 H new ATOM 0 HG3 LYS B 46 88.109 -12.108 45.816 1.00 0.00 H new ATOM 0 HD2 LYS B 46 90.382 -13.057 44.969 1.00 0.00 H new ATOM 0 HD3 LYS B 46 89.546 -13.443 43.478 1.00 0.00 H new ATOM 0 HE2 LYS B 46 88.855 -11.050 43.229 1.00 0.00 H new ATOM 0 HE3 LYS B 46 89.651 -10.654 44.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 91.070 -10.161 42.845 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 91.765 -11.391 43.787 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 90.994 -11.775 42.324 1.00 0.00 H new ATOM 1567 N GLY B 47 86.337 -13.771 48.658 1.00 0.00 N ATOM 1568 CA GLY B 47 85.883 -12.755 49.665 1.00 0.00 C ATOM 1569 C GLY B 47 84.853 -13.402 50.599 1.00 0.00 C ATOM 1570 O GLY B 47 84.547 -14.570 50.485 1.00 0.00 O ATOM 0 H GLY B 47 86.588 -14.679 49.049 1.00 0.00 H new ATOM 0 HA2 GLY B 47 86.734 -12.388 50.239 1.00 0.00 H new ATOM 0 HA3 GLY B 47 85.445 -11.894 49.160 1.00 0.00 H new ATOM 1574 N GLU B 48 84.315 -12.651 51.521 1.00 0.00 N ATOM 1575 CA GLU B 48 83.303 -13.239 52.445 1.00 0.00 C ATOM 1576 C GLU B 48 82.107 -13.739 51.632 1.00 0.00 C ATOM 1577 O GLU B 48 81.472 -14.706 51.990 1.00 0.00 O ATOM 1578 CB GLU B 48 82.841 -12.181 53.455 1.00 0.00 C ATOM 1579 CG GLU B 48 84.040 -11.706 54.282 1.00 0.00 C ATOM 1580 CD GLU B 48 83.580 -10.685 55.329 1.00 0.00 C ATOM 1581 OE1 GLU B 48 82.379 -10.515 55.481 1.00 0.00 O ATOM 1582 OE2 GLU B 48 84.436 -10.088 55.960 1.00 0.00 O ATOM 0 H GLU B 48 84.529 -11.666 51.674 1.00 0.00 H new ATOM 0 HA GLU B 48 83.748 -14.073 52.987 1.00 0.00 H new ATOM 0 HB2 GLU B 48 82.389 -11.338 52.933 1.00 0.00 H new ATOM 0 HB3 GLU B 48 82.076 -12.598 54.110 1.00 0.00 H new ATOM 0 HG2 GLU B 48 84.513 -12.556 54.774 1.00 0.00 H new ATOM 0 HG3 GLU B 48 84.789 -11.258 53.629 1.00 0.00 H new ATOM 1589 N ALA B 49 81.805 -13.088 50.537 1.00 0.00 N ATOM 1590 CA ALA B 49 80.651 -13.513 49.687 1.00 0.00 C ATOM 1591 C ALA B 49 79.442 -13.865 50.558 1.00 0.00 C ATOM 1592 O ALA B 49 78.595 -13.035 50.823 1.00 0.00 O ATOM 1593 CB ALA B 49 81.053 -14.736 48.859 1.00 0.00 C ATOM 0 H ALA B 49 82.313 -12.273 50.193 1.00 0.00 H new ATOM 0 HA ALA B 49 80.380 -12.689 49.027 1.00 0.00 H new ATOM 0 HB1 ALA B 49 80.213 -15.047 48.238 1.00 0.00 H new ATOM 0 HB2 ALA B 49 81.900 -14.482 48.222 1.00 0.00 H new ATOM 0 HB3 ALA B 49 81.333 -15.551 49.526 1.00 0.00 H new ATOM 1599 N MET B 50 79.349 -15.088 51.000 1.00 0.00 N ATOM 1600 CA MET B 50 78.191 -15.496 51.845 1.00 0.00 C ATOM 1601 C MET B 50 78.239 -14.772 53.190 1.00 0.00 C ATOM 1602 O MET B 50 79.297 -14.451 53.695 1.00 0.00 O ATOM 1603 CB MET B 50 78.258 -17.000 52.091 1.00 0.00 C ATOM 1604 CG MET B 50 79.633 -17.350 52.655 1.00 0.00 C ATOM 1605 SD MET B 50 79.752 -19.131 52.931 1.00 0.00 S ATOM 1606 CE MET B 50 81.459 -19.121 53.526 1.00 0.00 C ATOM 0 H MET B 50 80.028 -15.826 50.812 1.00 0.00 H new ATOM 0 HA MET B 50 77.266 -15.237 51.330 1.00 0.00 H new ATOM 0 HB2 MET B 50 77.477 -17.303 52.788 1.00 0.00 H new ATOM 0 HB3 MET B 50 78.083 -17.542 51.162 1.00 0.00 H new ATOM 0 HG2 MET B 50 80.412 -17.028 51.963 1.00 0.00 H new ATOM 0 HG3 MET B 50 79.798 -16.817 53.591 1.00 0.00 H new ATOM 0 HE1 MET B 50 81.766 -20.139 53.767 1.00 0.00 H new ATOM 0 HE2 MET B 50 82.112 -18.719 52.751 1.00 0.00 H new ATOM 0 HE3 MET B 50 81.530 -18.499 54.419 1.00 0.00 H new ATOM 1616 N HIS B 51 77.099 -14.511 53.777 1.00 0.00 N ATOM 1617 CA HIS B 51 77.074 -13.805 55.094 1.00 0.00 C ATOM 1618 C HIS B 51 75.944 -14.376 55.960 1.00 0.00 C ATOM 1619 O HIS B 51 74.948 -14.859 55.459 1.00 0.00 O ATOM 1620 CB HIS B 51 76.843 -12.314 54.849 1.00 0.00 C ATOM 1621 CG HIS B 51 77.103 -11.551 56.115 1.00 0.00 C ATOM 1622 ND1 HIS B 51 76.094 -11.258 57.023 1.00 0.00 N ATOM 1623 CD2 HIS B 51 78.250 -11.005 56.641 1.00 0.00 C ATOM 1624 CE1 HIS B 51 76.645 -10.567 58.035 1.00 0.00 C ATOM 1625 NE2 HIS B 51 77.955 -10.386 57.849 1.00 0.00 N ATOM 0 H HIS B 51 76.183 -14.757 53.401 1.00 0.00 H new ATOM 0 HA HIS B 51 78.022 -13.947 55.613 1.00 0.00 H new ATOM 0 HB2 HIS B 51 77.502 -11.959 54.056 1.00 0.00 H new ATOM 0 HB3 HIS B 51 75.820 -12.144 54.513 1.00 0.00 H new ATOM 0 HD2 HIS B 51 79.228 -11.050 56.186 1.00 0.00 H new ATOM 0 HE1 HIS B 51 76.097 -10.203 58.892 1.00 0.00 H new ATOM 0 HE2 HIS B 51 78.603 -9.896 58.465 1.00 0.00 H new ATOM 1633 N GLY B 52 76.100 -14.337 57.259 1.00 0.00 N ATOM 1634 CA GLY B 52 75.046 -14.890 58.158 1.00 0.00 C ATOM 1635 C GLY B 52 75.276 -14.389 59.588 1.00 0.00 C ATOM 1636 O GLY B 52 75.027 -13.240 59.896 1.00 0.00 O ATOM 0 H GLY B 52 76.913 -13.945 57.735 1.00 0.00 H new ATOM 0 HA2 GLY B 52 74.059 -14.585 57.809 1.00 0.00 H new ATOM 0 HA3 GLY B 52 75.069 -15.980 58.135 1.00 0.00 H new ATOM 1640 N GLN B 53 75.739 -15.252 60.460 1.00 0.00 N ATOM 1641 CA GLN B 53 75.983 -14.845 61.882 1.00 0.00 C ATOM 1642 C GLN B 53 74.641 -14.547 62.554 1.00 0.00 C ATOM 1643 O GLN B 53 74.537 -13.688 63.411 1.00 0.00 O ATOM 1644 CB GLN B 53 76.868 -13.586 61.922 1.00 0.00 C ATOM 1645 CG GLN B 53 77.553 -13.473 63.287 1.00 0.00 C ATOM 1646 CD GLN B 53 78.623 -14.551 63.417 1.00 0.00 C ATOM 1647 OE1 GLN B 53 79.604 -14.546 62.698 1.00 0.00 O ATOM 1648 NE2 GLN B 53 78.478 -15.479 64.320 1.00 0.00 N ATOM 0 H GLN B 53 75.960 -16.225 60.248 1.00 0.00 H new ATOM 0 HA GLN B 53 76.490 -15.653 62.409 1.00 0.00 H new ATOM 0 HB2 GLN B 53 77.618 -13.633 61.132 1.00 0.00 H new ATOM 0 HB3 GLN B 53 76.262 -12.699 61.735 1.00 0.00 H new ATOM 0 HG2 GLN B 53 78.002 -12.486 63.398 1.00 0.00 H new ATOM 0 HG3 GLN B 53 76.817 -13.580 64.084 1.00 0.00 H new ATOM 0 HE21 GLN B 53 77.654 -15.481 64.922 1.00 0.00 H new ATOM 0 HE22 GLN B 53 79.188 -16.204 64.425 1.00 0.00 H new ATOM 1657 N VAL B 54 73.612 -15.238 62.157 1.00 0.00 N ATOM 1658 CA VAL B 54 72.265 -14.993 62.745 1.00 0.00 C ATOM 1659 C VAL B 54 71.882 -13.528 62.544 1.00 0.00 C ATOM 1660 O VAL B 54 70.866 -13.060 63.011 1.00 0.00 O ATOM 1661 CB VAL B 54 72.278 -15.339 64.236 1.00 0.00 C ATOM 1662 CG1 VAL B 54 70.839 -15.439 64.765 1.00 0.00 C ATOM 1663 CG2 VAL B 54 72.984 -16.681 64.421 1.00 0.00 C ATOM 0 H VAL B 54 73.645 -15.968 61.445 1.00 0.00 H new ATOM 0 HA VAL B 54 71.529 -15.625 62.247 1.00 0.00 H new ATOM 0 HB VAL B 54 72.803 -14.560 64.789 1.00 0.00 H new ATOM 0 HG11 VAL B 54 70.858 -15.686 65.827 1.00 0.00 H new ATOM 0 HG12 VAL B 54 70.332 -14.485 64.623 1.00 0.00 H new ATOM 0 HG13 VAL B 54 70.305 -16.218 64.221 1.00 0.00 H new ATOM 0 HG21 VAL B 54 73.001 -16.940 65.480 1.00 0.00 H new ATOM 0 HG22 VAL B 54 72.450 -17.453 63.867 1.00 0.00 H new ATOM 0 HG23 VAL B 54 74.006 -16.609 64.049 1.00 0.00 H new ATOM 1673 N ASP B 55 72.697 -12.812 61.832 1.00 0.00 N ATOM 1674 CA ASP B 55 72.417 -11.369 61.563 1.00 0.00 C ATOM 1675 C ASP B 55 71.529 -11.245 60.323 1.00 0.00 C ATOM 1676 O ASP B 55 71.840 -11.883 59.332 1.00 0.00 O ATOM 1677 CB ASP B 55 73.740 -10.648 61.303 1.00 0.00 C ATOM 1678 CG ASP B 55 73.502 -9.140 61.176 1.00 0.00 C ATOM 1679 OD1 ASP B 55 72.355 -8.735 61.196 1.00 0.00 O ATOM 1680 OD2 ASP B 55 74.476 -8.418 61.062 1.00 0.00 O ATOM 1681 OXT ASP B 55 70.557 -10.514 60.384 1.00 0.00 O ATOM 0 H ASP B 55 73.559 -13.164 61.416 1.00 0.00 H new ATOM 0 HA ASP B 55 71.911 -10.926 62.421 1.00 0.00 H new ATOM 0 HB2 ASP B 55 74.437 -10.847 62.117 1.00 0.00 H new ATOM 0 HB3 ASP B 55 74.198 -11.030 60.391 1.00 0.00 H new TER 1686 ASP B 55 HETATM 1687 ZN ZN A 56 79.346 -2.014 35.996 1.00 0.00 ZN HETATM 1688 ZN ZN B 56 90.142 -20.899 39.698 1.00 0.00 ZN