USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS : no HE2:sc= -2.49 K(o=-4.8,f=-6.2) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.7 K(o=-4.8,f=-7.3!) USER MOD Set 1.3: B 40 CYS SG : rot 166:sc= 0.807 USER MOD Set 1.4: B 43 CYS SG : rot 81:sc= -1.44 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -2.46 K(o=-4.6,f=-6.1) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.57 K(o=-4.6,f=-7.1!) USER MOD Set 2.3: A 40 CYS SG : rot 160:sc= 0.804 USER MOD Set 2.4: A 43 CYS SG : rot 81:sc= -1.33 USER MOD Single : A 1 PHE N :NH3+ 151:sc= 0.223 (180deg=0.0309) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -77:sc= 0.983 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 22 MET CE :methyl 158:sc= -0.308 (180deg=-1.66!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0409) USER MOD Single : A 39 SER OG : rot 79:sc= 0.182 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -2.17 X(o=-2.2,f=-1.9) USER MOD Single : B 1 PHE N :NH3+ 152:sc= 0.221 (180deg=0.0303) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -77:sc= 0.903 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 22 MET CE :methyl 153:sc= -0.208 (180deg=-1.62!) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : B 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0426) USER MOD Single : B 39 SER OG : rot 79:sc= 0.176 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 GLN : amide:sc= -1.9 X(o=-1.9,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.373 -3.633 24.132 1.00 0.00 N ATOM 2 CA PHE A 1 94.229 -4.220 25.493 1.00 0.00 C ATOM 3 C PHE A 1 93.924 -3.111 26.507 1.00 0.00 C ATOM 4 O PHE A 1 92.781 -2.788 26.762 1.00 0.00 O ATOM 5 CB PHE A 1 95.530 -4.927 25.889 1.00 0.00 C ATOM 6 CG PHE A 1 95.647 -6.245 25.158 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.067 -7.402 25.697 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.347 -6.315 23.945 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.183 -8.623 25.023 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.465 -7.538 23.273 1.00 0.00 C ATOM 11 CZ PHE A 1 95.882 -8.693 23.812 1.00 0.00 C ATOM 0 H1 PHE A 1 95.024 -4.217 23.569 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.443 -3.603 23.667 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.753 -2.668 24.209 1.00 0.00 H new ATOM 0 HA PHE A 1 93.410 -4.940 25.487 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.384 -4.293 25.652 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.548 -5.096 26.966 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.530 -7.351 26.633 1.00 0.00 H new ATOM 0 HD2 PHE A 1 96.795 -5.425 23.529 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.733 -9.513 25.438 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.005 -7.591 22.339 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.972 -9.636 23.294 1.00 0.00 H new ATOM 23 N LEU A 2 94.937 -2.540 27.104 1.00 0.00 N ATOM 24 CA LEU A 2 94.705 -1.472 28.121 1.00 0.00 C ATOM 25 C LEU A 2 94.062 -0.241 27.474 1.00 0.00 C ATOM 26 O LEU A 2 93.180 0.371 28.039 1.00 0.00 O ATOM 27 CB LEU A 2 96.044 -1.065 28.739 1.00 0.00 C ATOM 28 CG LEU A 2 96.707 -2.280 29.404 1.00 0.00 C ATOM 29 CD1 LEU A 2 98.076 -1.868 29.952 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.828 -2.808 30.552 1.00 0.00 C ATOM 0 H LEU A 2 95.916 -2.767 26.931 1.00 0.00 H new ATOM 0 HA LEU A 2 94.035 -1.860 28.888 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.700 -0.658 27.970 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.889 -0.276 29.475 1.00 0.00 H new ATOM 0 HG LEU A 2 96.827 -3.071 28.664 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.552 -2.727 30.426 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.703 -1.511 29.135 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.950 -1.073 30.686 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.311 -3.669 31.014 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.694 -2.024 31.298 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.856 -3.105 30.159 1.00 0.00 H new ATOM 42 N ASP A 3 94.492 0.133 26.303 1.00 0.00 N ATOM 43 CA ASP A 3 93.896 1.336 25.650 1.00 0.00 C ATOM 44 C ASP A 3 92.429 1.076 25.317 1.00 0.00 C ATOM 45 O ASP A 3 91.583 1.933 25.480 1.00 0.00 O ATOM 46 CB ASP A 3 94.655 1.642 24.363 1.00 0.00 C ATOM 47 CG ASP A 3 96.055 2.156 24.701 1.00 0.00 C ATOM 48 OD1 ASP A 3 96.907 1.339 25.006 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.250 3.360 24.654 1.00 0.00 O ATOM 0 H ASP A 3 95.225 -0.336 25.771 1.00 0.00 H new ATOM 0 HA ASP A 3 93.966 2.183 26.332 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.725 0.745 23.748 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.115 2.387 23.779 1.00 0.00 H new ATOM 54 N GLY A 4 92.121 -0.101 24.856 1.00 0.00 N ATOM 55 CA GLY A 4 90.708 -0.421 24.517 1.00 0.00 C ATOM 56 C GLY A 4 89.871 -0.406 25.792 1.00 0.00 C ATOM 57 O GLY A 4 88.728 0.008 25.796 1.00 0.00 O ATOM 0 H GLY A 4 92.787 -0.857 24.699 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.319 0.306 23.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.648 -1.399 24.040 1.00 0.00 H new ATOM 61 N ILE A 5 90.432 -0.862 26.876 1.00 0.00 N ATOM 62 CA ILE A 5 89.674 -0.882 28.155 1.00 0.00 C ATOM 63 C ILE A 5 89.414 0.548 28.636 1.00 0.00 C ATOM 64 O ILE A 5 88.349 0.854 29.134 1.00 0.00 O ATOM 65 CB ILE A 5 90.490 -1.648 29.205 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.492 -3.140 28.856 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.882 -1.444 30.595 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.545 -3.863 29.697 1.00 0.00 C ATOM 0 H ILE A 5 91.385 -1.222 26.931 1.00 0.00 H new ATOM 0 HA ILE A 5 88.714 -1.376 28.003 1.00 0.00 H new ATOM 0 HB ILE A 5 91.513 -1.272 29.209 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.507 -3.568 29.042 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.704 -3.275 27.795 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.469 -1.992 31.333 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.888 -0.382 30.842 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.856 -1.812 30.601 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.545 -4.924 29.447 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.529 -3.442 29.489 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.313 -3.739 30.755 1.00 0.00 H new ATOM 80 N ASP A 6 90.368 1.424 28.503 1.00 0.00 N ATOM 81 CA ASP A 6 90.148 2.822 28.972 1.00 0.00 C ATOM 82 C ASP A 6 88.971 3.455 28.225 1.00 0.00 C ATOM 83 O ASP A 6 88.095 4.045 28.826 1.00 0.00 O ATOM 84 CB ASP A 6 91.412 3.652 28.737 1.00 0.00 C ATOM 85 CG ASP A 6 92.499 3.229 29.729 1.00 0.00 C ATOM 86 OD1 ASP A 6 93.137 2.221 29.485 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.675 3.925 30.716 1.00 0.00 O ATOM 0 H ASP A 6 91.283 1.237 28.094 1.00 0.00 H new ATOM 0 HA ASP A 6 89.920 2.802 30.038 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.765 3.513 27.715 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.190 4.712 28.856 1.00 0.00 H new ATOM 92 N LYS A 7 88.934 3.341 26.926 1.00 0.00 N ATOM 93 CA LYS A 7 87.799 3.949 26.171 1.00 0.00 C ATOM 94 C LYS A 7 86.517 3.176 26.471 1.00 0.00 C ATOM 95 O LYS A 7 85.455 3.744 26.629 1.00 0.00 O ATOM 96 CB LYS A 7 88.071 3.868 24.669 1.00 0.00 C ATOM 97 CG LYS A 7 89.206 4.815 24.286 1.00 0.00 C ATOM 98 CD LYS A 7 89.451 4.708 22.780 1.00 0.00 C ATOM 99 CE LYS A 7 90.584 5.646 22.369 1.00 0.00 C ATOM 100 NZ LYS A 7 90.824 5.514 20.903 1.00 0.00 N ATOM 0 H LYS A 7 89.631 2.859 26.359 1.00 0.00 H new ATOM 0 HA LYS A 7 87.693 4.991 26.473 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.332 2.846 24.394 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.169 4.127 24.114 1.00 0.00 H new ATOM 0 HG2 LYS A 7 88.949 5.840 24.555 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.112 4.559 24.835 1.00 0.00 H new ATOM 0 HD2 LYS A 7 89.704 3.681 22.516 1.00 0.00 H new ATOM 0 HD3 LYS A 7 88.541 4.962 22.236 1.00 0.00 H new ATOM 0 HE2 LYS A 7 90.327 6.676 22.616 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.492 5.403 22.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 91.595 6.151 20.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 91.086 4.532 20.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 89.958 5.766 20.385 1.00 0.00 H new ATOM 114 N ALA A 8 86.613 1.879 26.547 1.00 0.00 N ATOM 115 CA ALA A 8 85.407 1.055 26.834 1.00 0.00 C ATOM 116 C ALA A 8 84.962 1.290 28.277 1.00 0.00 C ATOM 117 O ALA A 8 83.787 1.272 28.586 1.00 0.00 O ATOM 118 CB ALA A 8 85.740 -0.424 26.630 1.00 0.00 C ATOM 0 H ALA A 8 87.478 1.352 26.422 1.00 0.00 H new ATOM 0 HA ALA A 8 84.601 1.339 26.158 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.857 -1.028 26.840 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.055 -0.587 25.599 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.546 -0.712 27.305 1.00 0.00 H new ATOM 124 N GLN A 9 85.894 1.502 29.164 1.00 0.00 N ATOM 125 CA GLN A 9 85.528 1.727 30.590 1.00 0.00 C ATOM 126 C GLN A 9 84.704 3.014 30.708 1.00 0.00 C ATOM 127 O GLN A 9 84.994 4.010 30.076 1.00 0.00 O ATOM 128 CB GLN A 9 86.809 1.851 31.421 1.00 0.00 C ATOM 129 CG GLN A 9 86.457 1.983 32.903 1.00 0.00 C ATOM 130 CD GLN A 9 87.745 2.097 33.720 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.631 2.855 33.379 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.889 1.366 34.792 1.00 0.00 N ATOM 0 H GLN A 9 86.894 1.529 28.963 1.00 0.00 H new ATOM 0 HA GLN A 9 84.935 0.889 30.958 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.440 0.976 31.265 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.381 2.720 31.095 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.832 2.862 33.063 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.881 1.118 33.230 1.00 0.00 H new ATOM 0 HE21 GLN A 9 87.145 0.729 35.079 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.745 1.431 35.343 1.00 0.00 H new ATOM 141 N GLU A 10 83.672 2.994 31.509 1.00 0.00 N ATOM 142 CA GLU A 10 82.817 4.207 31.665 1.00 0.00 C ATOM 143 C GLU A 10 81.849 3.984 32.836 1.00 0.00 C ATOM 144 O GLU A 10 81.672 2.873 33.295 1.00 0.00 O ATOM 145 CB GLU A 10 82.036 4.448 30.365 1.00 0.00 C ATOM 146 CG GLU A 10 81.307 5.794 30.426 1.00 0.00 C ATOM 147 CD GLU A 10 80.658 6.087 29.071 1.00 0.00 C ATOM 148 OE1 GLU A 10 79.597 5.541 28.815 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.234 6.848 28.311 1.00 0.00 O ATOM 0 H GLU A 10 83.384 2.188 32.063 1.00 0.00 H new ATOM 0 HA GLU A 10 83.435 5.081 31.871 1.00 0.00 H new ATOM 0 HB2 GLU A 10 82.718 4.434 29.515 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.317 3.644 30.210 1.00 0.00 H new ATOM 0 HG2 GLU A 10 80.548 5.773 31.208 1.00 0.00 H new ATOM 0 HG3 GLU A 10 82.008 6.588 30.684 1.00 0.00 H new ATOM 156 N GLU A 11 81.240 5.032 33.330 1.00 0.00 N ATOM 157 CA GLU A 11 80.293 4.898 34.484 1.00 0.00 C ATOM 158 C GLU A 11 79.428 3.640 34.334 1.00 0.00 C ATOM 159 O GLU A 11 79.289 3.091 33.259 1.00 0.00 O ATOM 160 CB GLU A 11 79.385 6.126 34.547 1.00 0.00 C ATOM 161 CG GLU A 11 80.205 7.344 34.979 1.00 0.00 C ATOM 162 CD GLU A 11 79.310 8.584 34.988 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.417 8.652 34.160 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.534 9.445 35.823 1.00 0.00 O ATOM 0 H GLU A 11 81.358 5.983 32.982 1.00 0.00 H new ATOM 0 HA GLU A 11 80.877 4.817 35.401 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.931 6.307 33.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.571 5.954 35.251 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.626 7.179 35.971 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.043 7.492 34.298 1.00 0.00 H new ATOM 171 N HIS A 12 78.857 3.179 35.415 1.00 0.00 N ATOM 172 CA HIS A 12 78.008 1.954 35.357 1.00 0.00 C ATOM 173 C HIS A 12 76.666 2.283 34.703 1.00 0.00 C ATOM 174 O HIS A 12 75.640 2.337 35.352 1.00 0.00 O ATOM 175 CB HIS A 12 77.777 1.445 36.779 1.00 0.00 C ATOM 176 CG HIS A 12 76.867 0.245 36.762 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.338 -1.046 36.555 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.517 0.122 36.975 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.285 -1.884 36.657 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.155 -1.219 36.912 1.00 0.00 N ATOM 0 H HIS A 12 78.943 3.601 36.340 1.00 0.00 H new ATOM 0 HA HIS A 12 78.509 1.187 34.766 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.730 1.181 37.238 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.338 2.235 37.389 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.304 -1.312 36.361 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.839 0.942 37.163 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.348 -2.956 36.546 1.00 0.00 H new ATOM 188 N GLU A 13 76.672 2.496 33.419 1.00 0.00 N ATOM 189 CA GLU A 13 75.409 2.819 32.697 1.00 0.00 C ATOM 190 C GLU A 13 74.683 1.523 32.325 1.00 0.00 C ATOM 191 O GLU A 13 75.073 0.442 32.722 1.00 0.00 O ATOM 192 CB GLU A 13 75.742 3.589 31.421 1.00 0.00 C ATOM 193 CG GLU A 13 76.339 4.949 31.786 1.00 0.00 C ATOM 194 CD GLU A 13 76.715 5.699 30.506 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.545 5.132 29.440 1.00 0.00 O ATOM 196 OE2 GLU A 13 77.169 6.826 30.616 1.00 0.00 O ATOM 0 H GLU A 13 77.505 2.460 32.832 1.00 0.00 H new ATOM 0 HA GLU A 13 74.769 3.424 33.340 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.448 3.021 30.815 1.00 0.00 H new ATOM 0 HB3 GLU A 13 74.843 3.724 30.820 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.621 5.531 32.364 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.220 4.815 32.414 1.00 0.00 H new ATOM 203 N LYS A 14 73.635 1.628 31.559 1.00 0.00 N ATOM 204 CA LYS A 14 72.878 0.413 31.145 1.00 0.00 C ATOM 205 C LYS A 14 73.753 -0.418 30.211 1.00 0.00 C ATOM 206 O LYS A 14 73.625 -1.623 30.123 1.00 0.00 O ATOM 207 CB LYS A 14 71.616 0.827 30.392 1.00 0.00 C ATOM 208 CG LYS A 14 70.624 1.470 31.358 1.00 0.00 C ATOM 209 CD LYS A 14 69.412 1.988 30.576 1.00 0.00 C ATOM 210 CE LYS A 14 68.683 0.819 29.900 1.00 0.00 C ATOM 211 NZ LYS A 14 67.270 1.208 29.635 1.00 0.00 N ATOM 0 H LYS A 14 73.267 2.509 31.199 1.00 0.00 H new ATOM 0 HA LYS A 14 72.606 -0.165 32.028 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.870 1.528 29.597 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.163 -0.043 29.917 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.305 0.743 32.105 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.102 2.290 31.894 1.00 0.00 H new ATOM 0 HD2 LYS A 14 68.732 2.511 31.248 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.735 2.709 29.825 1.00 0.00 H new ATOM 0 HE2 LYS A 14 69.181 0.556 28.967 1.00 0.00 H new ATOM 0 HE3 LYS A 14 68.716 -0.063 30.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 66.773 0.418 29.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 66.799 1.439 30.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.250 2.039 29.010 1.00 0.00 H new ATOM 225 N TYR A 15 74.637 0.225 29.505 1.00 0.00 N ATOM 226 CA TYR A 15 75.522 -0.510 28.564 1.00 0.00 C ATOM 227 C TYR A 15 76.303 -1.574 29.338 1.00 0.00 C ATOM 228 O TYR A 15 76.609 -2.628 28.816 1.00 0.00 O ATOM 229 CB TYR A 15 76.487 0.483 27.903 1.00 0.00 C ATOM 230 CG TYR A 15 75.768 1.228 26.800 1.00 0.00 C ATOM 231 CD1 TYR A 15 75.749 0.702 25.503 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.115 2.436 27.076 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.078 1.384 24.481 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.443 3.119 26.055 1.00 0.00 C ATOM 235 CZ TYR A 15 74.424 2.593 24.756 1.00 0.00 C ATOM 236 OH TYR A 15 73.762 3.265 23.748 1.00 0.00 O ATOM 0 H TYR A 15 74.785 1.234 29.540 1.00 0.00 H new ATOM 0 HA TYR A 15 74.928 -0.997 27.791 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.866 1.187 28.644 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.349 -0.047 27.497 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.252 -0.230 25.291 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.130 2.841 28.077 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.064 0.978 23.480 1.00 0.00 H new ATOM 0 HE2 TYR A 15 73.940 4.050 26.268 1.00 0.00 H new ATOM 0 HH TYR A 15 73.362 4.084 24.108 1.00 0.00 H new ATOM 246 N HIS A 16 76.621 -1.320 30.581 1.00 0.00 N ATOM 247 CA HIS A 16 77.370 -2.338 31.371 1.00 0.00 C ATOM 248 C HIS A 16 76.546 -3.629 31.449 1.00 0.00 C ATOM 249 O HIS A 16 77.077 -4.717 31.352 1.00 0.00 O ATOM 250 CB HIS A 16 77.619 -1.811 32.797 1.00 0.00 C ATOM 251 CG HIS A 16 78.841 -0.933 32.825 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.601 -0.759 33.978 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.458 -0.184 31.852 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.619 0.067 33.670 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.576 0.443 32.389 1.00 0.00 N ATOM 0 H HIS A 16 76.396 -0.459 31.079 1.00 0.00 H new ATOM 0 HA HIS A 16 78.325 -2.537 30.885 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.751 -1.248 33.140 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.749 -2.648 33.483 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.125 -0.096 30.828 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.376 0.386 34.371 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.228 1.061 31.906 1.00 0.00 H new ATOM 263 N SER A 17 75.256 -3.525 31.620 1.00 0.00 N ATOM 264 CA SER A 17 74.426 -4.759 31.700 1.00 0.00 C ATOM 265 C SER A 17 74.570 -5.544 30.396 1.00 0.00 C ATOM 266 O SER A 17 74.675 -6.754 30.397 1.00 0.00 O ATOM 267 CB SER A 17 72.960 -4.380 31.913 1.00 0.00 C ATOM 268 OG SER A 17 72.499 -3.638 30.792 1.00 0.00 O ATOM 0 H SER A 17 74.745 -2.647 31.707 1.00 0.00 H new ATOM 0 HA SER A 17 74.761 -5.373 32.536 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.356 -5.278 32.043 1.00 0.00 H new ATOM 0 HB3 SER A 17 72.854 -3.790 32.823 1.00 0.00 H new ATOM 0 HG SER A 17 72.839 -2.721 30.845 1.00 0.00 H new ATOM 274 N ASN A 18 74.586 -4.860 29.280 1.00 0.00 N ATOM 275 CA ASN A 18 74.737 -5.556 27.964 1.00 0.00 C ATOM 276 C ASN A 18 76.190 -5.456 27.493 1.00 0.00 C ATOM 277 O ASN A 18 76.572 -4.507 26.837 1.00 0.00 O ATOM 278 CB ASN A 18 73.824 -4.883 26.938 1.00 0.00 C ATOM 279 CG ASN A 18 72.370 -4.987 27.405 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.908 -6.054 27.754 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.628 -3.915 27.431 1.00 0.00 N ATOM 0 H ASN A 18 74.501 -3.845 29.223 1.00 0.00 H new ATOM 0 HA ASN A 18 74.465 -6.606 28.071 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.104 -3.837 26.816 1.00 0.00 H new ATOM 0 HB3 ASN A 18 73.940 -5.359 25.964 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.659 -3.973 27.745 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.016 -3.019 27.138 1.00 0.00 H new ATOM 288 N TRP A 19 77.003 -6.424 27.814 1.00 0.00 N ATOM 289 CA TRP A 19 78.425 -6.377 27.372 1.00 0.00 C ATOM 290 C TRP A 19 78.517 -6.671 25.869 1.00 0.00 C ATOM 291 O TRP A 19 79.431 -6.232 25.199 1.00 0.00 O ATOM 292 CB TRP A 19 79.263 -7.388 28.159 1.00 0.00 C ATOM 293 CG TRP A 19 78.801 -8.778 27.872 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.953 -9.490 28.649 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.149 -9.638 26.750 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.765 -10.736 28.078 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.480 -10.874 26.906 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.974 -9.468 25.623 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.625 -11.905 25.980 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.120 -10.504 24.686 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.446 -11.722 24.866 1.00 0.00 C ATOM 0 H TRP A 19 76.745 -7.244 28.362 1.00 0.00 H new ATOM 0 HA TRP A 19 78.817 -5.378 27.563 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.315 -7.285 27.892 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.183 -7.184 29.227 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.498 -9.143 29.565 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.171 -11.464 28.475 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.498 -8.535 25.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.105 -12.841 26.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.754 -10.363 23.823 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.562 -12.516 24.144 1.00 0.00 H new ATOM 312 N ARG A 20 77.587 -7.420 25.334 1.00 0.00 N ATOM 313 CA ARG A 20 77.641 -7.747 23.876 1.00 0.00 C ATOM 314 C ARG A 20 77.590 -6.461 23.049 1.00 0.00 C ATOM 315 O ARG A 20 78.294 -6.318 22.069 1.00 0.00 O ATOM 316 CB ARG A 20 76.444 -8.629 23.505 1.00 0.00 C ATOM 317 CG ARG A 20 76.628 -10.034 24.086 1.00 0.00 C ATOM 318 CD ARG A 20 75.395 -10.879 23.758 1.00 0.00 C ATOM 319 NE ARG A 20 75.547 -12.258 24.336 1.00 0.00 N ATOM 320 CZ ARG A 20 76.528 -13.048 23.988 1.00 0.00 C ATOM 321 NH1 ARG A 20 77.327 -12.722 23.009 1.00 0.00 N ATOM 322 NH2 ARG A 20 76.684 -14.192 24.595 1.00 0.00 N ATOM 0 H ARG A 20 76.796 -7.818 25.840 1.00 0.00 H new ATOM 0 HA ARG A 20 78.571 -8.276 23.666 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.524 -8.187 23.886 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.345 -8.685 22.421 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.523 -10.498 23.671 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.769 -9.979 25.165 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.501 -10.404 24.161 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.264 -10.941 22.678 1.00 0.00 H new ATOM 0 HE ARG A 20 74.865 -12.587 25.019 1.00 0.00 H new ATOM 0 HH11 ARG A 20 77.188 -11.844 22.508 1.00 0.00 H new ATOM 0 HH12 ARG A 20 78.090 -13.345 22.744 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.042 -14.467 25.338 1.00 0.00 H new ATOM 0 HH22 ARG A 20 77.448 -14.812 24.327 1.00 0.00 H new ATOM 336 N ALA A 21 76.771 -5.523 23.432 1.00 0.00 N ATOM 337 CA ALA A 21 76.694 -4.251 22.658 1.00 0.00 C ATOM 338 C ALA A 21 78.065 -3.579 22.662 1.00 0.00 C ATOM 339 O ALA A 21 78.542 -3.108 21.648 1.00 0.00 O ATOM 340 CB ALA A 21 75.663 -3.317 23.299 1.00 0.00 C ATOM 0 H ALA A 21 76.154 -5.580 24.242 1.00 0.00 H new ATOM 0 HA ALA A 21 76.393 -4.466 21.633 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.610 -2.389 22.730 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.685 -3.799 23.299 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.959 -3.098 24.325 1.00 0.00 H new ATOM 346 N MET A 22 78.703 -3.529 23.799 1.00 0.00 N ATOM 347 CA MET A 22 80.044 -2.888 23.875 1.00 0.00 C ATOM 348 C MET A 22 81.044 -3.684 23.031 1.00 0.00 C ATOM 349 O MET A 22 81.867 -3.125 22.340 1.00 0.00 O ATOM 350 CB MET A 22 80.502 -2.856 25.337 1.00 0.00 C ATOM 351 CG MET A 22 81.875 -2.188 25.436 1.00 0.00 C ATOM 352 SD MET A 22 82.349 -2.035 27.178 1.00 0.00 S ATOM 353 CE MET A 22 82.407 -3.802 27.566 1.00 0.00 C ATOM 0 H MET A 22 78.352 -3.905 24.680 1.00 0.00 H new ATOM 0 HA MET A 22 79.988 -1.870 23.490 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.778 -2.311 25.943 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.551 -3.870 25.734 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.617 -2.776 24.897 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.847 -1.204 24.968 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.038 -3.962 28.441 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.399 -4.162 27.774 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.819 -4.348 26.717 1.00 0.00 H new ATOM 363 N ALA A 23 80.977 -4.983 23.070 1.00 0.00 N ATOM 364 CA ALA A 23 81.932 -5.793 22.258 1.00 0.00 C ATOM 365 C ALA A 23 81.686 -5.535 20.771 1.00 0.00 C ATOM 366 O ALA A 23 82.610 -5.419 19.990 1.00 0.00 O ATOM 367 CB ALA A 23 81.727 -7.278 22.557 1.00 0.00 C ATOM 0 H ALA A 23 80.309 -5.519 23.624 1.00 0.00 H new ATOM 0 HA ALA A 23 82.953 -5.509 22.512 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.425 -7.868 21.963 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.904 -7.464 23.616 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.705 -7.562 22.305 1.00 0.00 H new ATOM 373 N SER A 24 80.449 -5.441 20.371 1.00 0.00 N ATOM 374 CA SER A 24 80.149 -5.188 18.933 1.00 0.00 C ATOM 375 C SER A 24 80.596 -3.774 18.561 1.00 0.00 C ATOM 376 O SER A 24 81.124 -3.540 17.493 1.00 0.00 O ATOM 377 CB SER A 24 78.645 -5.332 18.689 1.00 0.00 C ATOM 378 OG SER A 24 78.363 -5.056 17.322 1.00 0.00 O ATOM 0 H SER A 24 79.633 -5.528 20.976 1.00 0.00 H new ATOM 0 HA SER A 24 80.684 -5.911 18.318 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.318 -6.340 18.943 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.093 -4.646 19.332 1.00 0.00 H new ATOM 0 HG SER A 24 77.401 -5.149 17.161 1.00 0.00 H new ATOM 384 N ASP A 25 80.378 -2.832 19.432 1.00 0.00 N ATOM 385 CA ASP A 25 80.778 -1.427 19.132 1.00 0.00 C ATOM 386 C ASP A 25 82.288 -1.342 18.894 1.00 0.00 C ATOM 387 O ASP A 25 82.747 -0.636 18.017 1.00 0.00 O ATOM 388 CB ASP A 25 80.401 -0.532 20.313 1.00 0.00 C ATOM 389 CG ASP A 25 80.810 0.909 20.010 1.00 0.00 C ATOM 390 OD1 ASP A 25 82.001 1.169 19.960 1.00 0.00 O ATOM 391 OD2 ASP A 25 79.925 1.730 19.832 1.00 0.00 O ATOM 0 H ASP A 25 79.939 -2.972 20.342 1.00 0.00 H new ATOM 0 HA ASP A 25 80.259 -1.096 18.232 1.00 0.00 H new ATOM 0 HB2 ASP A 25 79.328 -0.586 20.496 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.897 -0.879 21.219 1.00 0.00 H new ATOM 396 N PHE A 26 83.067 -2.050 19.671 1.00 0.00 N ATOM 397 CA PHE A 26 84.556 -2.008 19.502 1.00 0.00 C ATOM 398 C PHE A 26 85.029 -3.253 18.747 1.00 0.00 C ATOM 399 O PHE A 26 86.205 -3.426 18.496 1.00 0.00 O ATOM 400 CB PHE A 26 85.220 -1.961 20.880 1.00 0.00 C ATOM 401 CG PHE A 26 84.970 -0.612 21.522 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.833 -0.409 22.315 1.00 0.00 C ATOM 403 CD2 PHE A 26 85.881 0.435 21.327 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.606 0.837 22.910 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.652 1.682 21.924 1.00 0.00 C ATOM 406 CZ PHE A 26 84.515 1.882 22.715 1.00 0.00 C ATOM 0 H PHE A 26 82.737 -2.659 20.420 1.00 0.00 H new ATOM 0 HA PHE A 26 84.830 -1.120 18.932 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.823 -2.755 21.513 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.292 -2.136 20.784 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.131 -1.215 22.467 1.00 0.00 H new ATOM 0 HD2 PHE A 26 86.759 0.281 20.717 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.728 0.992 23.520 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.353 2.489 21.774 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.339 2.843 23.175 1.00 0.00 H new ATOM 416 N ASN A 27 84.122 -4.118 18.381 1.00 0.00 N ATOM 417 CA ASN A 27 84.510 -5.350 17.632 1.00 0.00 C ATOM 418 C ASN A 27 85.585 -6.125 18.401 1.00 0.00 C ATOM 419 O ASN A 27 86.504 -6.664 17.816 1.00 0.00 O ATOM 420 CB ASN A 27 85.045 -4.970 16.249 1.00 0.00 C ATOM 421 CG ASN A 27 83.930 -4.307 15.437 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.050 -3.167 15.036 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.845 -4.981 15.172 1.00 0.00 N ATOM 0 H ASN A 27 83.124 -4.025 18.569 1.00 0.00 H new ATOM 0 HA ASN A 27 83.629 -5.982 17.521 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.891 -4.290 16.348 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.409 -5.858 15.731 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.097 -4.551 14.628 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.744 -5.938 15.509 1.00 0.00 H new ATOM 430 N LEU A 28 85.468 -6.202 19.704 1.00 0.00 N ATOM 431 CA LEU A 28 86.472 -6.962 20.519 1.00 0.00 C ATOM 432 C LEU A 28 85.807 -8.259 20.989 1.00 0.00 C ATOM 433 O LEU A 28 84.606 -8.302 21.163 1.00 0.00 O ATOM 434 CB LEU A 28 86.870 -6.127 21.742 1.00 0.00 C ATOM 435 CG LEU A 28 87.660 -4.882 21.298 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.633 -3.826 22.409 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.123 -5.255 21.001 1.00 0.00 C ATOM 0 H LEU A 28 84.717 -5.770 20.242 1.00 0.00 H new ATOM 0 HA LEU A 28 87.362 -7.177 19.927 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.978 -5.825 22.291 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.475 -6.728 22.421 1.00 0.00 H new ATOM 0 HG LEU A 28 87.197 -4.483 20.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.193 -2.947 22.090 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.601 -3.543 22.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.085 -4.236 23.312 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.669 -4.365 20.688 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.583 -5.666 21.899 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.154 -5.998 20.205 1.00 0.00 H new ATOM 449 N PRO A 29 86.557 -9.315 21.192 1.00 0.00 N ATOM 450 CA PRO A 29 85.970 -10.607 21.641 1.00 0.00 C ATOM 451 C PRO A 29 85.457 -10.515 23.090 1.00 0.00 C ATOM 452 O PRO A 29 85.992 -9.773 23.889 1.00 0.00 O ATOM 453 CB PRO A 29 87.138 -11.601 21.529 1.00 0.00 C ATOM 454 CG PRO A 29 88.366 -10.761 21.657 1.00 0.00 C ATOM 455 CD PRO A 29 88.021 -9.409 21.024 1.00 0.00 C ATOM 0 HA PRO A 29 85.107 -10.903 21.045 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.092 -12.356 22.314 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.118 -12.130 20.576 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.649 -10.641 22.703 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.211 -11.225 21.149 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.536 -8.589 21.524 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.308 -9.373 19.973 1.00 0.00 H new ATOM 463 N PRO A 30 84.429 -11.257 23.431 1.00 0.00 N ATOM 464 CA PRO A 30 83.860 -11.239 24.806 1.00 0.00 C ATOM 465 C PRO A 30 84.947 -11.177 25.889 1.00 0.00 C ATOM 466 O PRO A 30 84.705 -10.766 27.005 1.00 0.00 O ATOM 467 CB PRO A 30 83.097 -12.569 24.889 1.00 0.00 C ATOM 468 CG PRO A 30 82.691 -12.887 23.479 1.00 0.00 C ATOM 469 CD PRO A 30 83.699 -12.190 22.551 1.00 0.00 C ATOM 0 HA PRO A 30 83.238 -10.361 24.979 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.726 -13.357 25.304 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.226 -12.482 25.538 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.693 -13.964 23.311 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.678 -12.536 23.281 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.375 -12.909 22.088 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.194 -11.660 21.743 1.00 0.00 H new ATOM 477 N VAL A 31 86.135 -11.606 25.570 1.00 0.00 N ATOM 478 CA VAL A 31 87.230 -11.604 26.581 1.00 0.00 C ATOM 479 C VAL A 31 87.449 -10.200 27.135 1.00 0.00 C ATOM 480 O VAL A 31 87.371 -9.976 28.326 1.00 0.00 O ATOM 481 CB VAL A 31 88.517 -12.099 25.912 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.684 -12.067 26.905 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.305 -13.532 25.417 1.00 0.00 C ATOM 0 H VAL A 31 86.397 -11.959 24.650 1.00 0.00 H new ATOM 0 HA VAL A 31 86.957 -12.260 27.408 1.00 0.00 H new ATOM 0 HB VAL A 31 88.756 -11.446 25.073 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.590 -12.422 26.413 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.837 -11.046 27.254 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.457 -12.711 27.755 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.217 -13.891 24.940 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.060 -14.176 26.261 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.487 -13.551 24.697 1.00 0.00 H new ATOM 493 N VAL A 32 87.724 -9.253 26.292 1.00 0.00 N ATOM 494 CA VAL A 32 87.950 -7.873 26.797 1.00 0.00 C ATOM 495 C VAL A 32 86.660 -7.358 27.436 1.00 0.00 C ATOM 496 O VAL A 32 86.674 -6.777 28.503 1.00 0.00 O ATOM 497 CB VAL A 32 88.371 -6.962 25.639 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.362 -5.501 26.100 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.785 -7.342 25.190 1.00 0.00 C ATOM 0 H VAL A 32 87.802 -9.370 25.282 1.00 0.00 H new ATOM 0 HA VAL A 32 88.744 -7.876 27.543 1.00 0.00 H new ATOM 0 HB VAL A 32 87.673 -7.082 24.810 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.662 -4.857 25.273 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.358 -5.229 26.427 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.059 -5.377 26.928 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.091 -6.697 24.366 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.477 -7.219 26.023 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.795 -8.381 24.861 1.00 0.00 H new ATOM 509 N ALA A 33 85.547 -7.571 26.797 1.00 0.00 N ATOM 510 CA ALA A 33 84.260 -7.100 27.376 1.00 0.00 C ATOM 511 C ALA A 33 84.014 -7.790 28.721 1.00 0.00 C ATOM 512 O ALA A 33 83.699 -7.151 29.705 1.00 0.00 O ATOM 513 CB ALA A 33 83.116 -7.418 26.410 1.00 0.00 C ATOM 0 H ALA A 33 85.472 -8.050 25.900 1.00 0.00 H new ATOM 0 HA ALA A 33 84.307 -6.022 27.533 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.174 -7.072 26.835 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.292 -6.914 25.460 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.067 -8.494 26.246 1.00 0.00 H new ATOM 519 N LYS A 34 84.156 -9.090 28.779 1.00 0.00 N ATOM 520 CA LYS A 34 83.927 -9.801 30.068 1.00 0.00 C ATOM 521 C LYS A 34 84.925 -9.315 31.121 1.00 0.00 C ATOM 522 O LYS A 34 84.584 -9.142 32.275 1.00 0.00 O ATOM 523 CB LYS A 34 84.079 -11.311 29.858 1.00 0.00 C ATOM 524 CG LYS A 34 82.853 -11.848 29.108 1.00 0.00 C ATOM 525 CD LYS A 34 83.000 -13.356 28.894 1.00 0.00 C ATOM 526 CE LYS A 34 81.707 -13.922 28.292 1.00 0.00 C ATOM 527 NZ LYS A 34 80.691 -14.077 29.369 1.00 0.00 N ATOM 0 H LYS A 34 84.419 -9.685 27.993 1.00 0.00 H new ATOM 0 HA LYS A 34 82.917 -9.588 30.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.986 -11.521 29.291 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.180 -11.815 30.819 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.946 -11.638 29.676 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.752 -11.343 28.148 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.841 -13.559 28.230 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.217 -13.848 29.842 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.332 -13.256 27.515 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.903 -14.885 27.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.878 -14.614 29.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 81.111 -14.588 30.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.373 -13.138 29.684 1.00 0.00 H new ATOM 541 N GLU A 35 86.156 -9.097 30.745 1.00 0.00 N ATOM 542 CA GLU A 35 87.157 -8.631 31.745 1.00 0.00 C ATOM 543 C GLU A 35 86.719 -7.279 32.316 1.00 0.00 C ATOM 544 O GLU A 35 86.838 -7.026 33.498 1.00 0.00 O ATOM 545 CB GLU A 35 88.526 -8.486 31.067 1.00 0.00 C ATOM 546 CG GLU A 35 89.639 -8.415 32.125 1.00 0.00 C ATOM 547 CD GLU A 35 89.675 -7.017 32.747 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.570 -6.057 32.001 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.805 -6.931 33.956 1.00 0.00 O ATOM 0 H GLU A 35 86.509 -9.220 29.796 1.00 0.00 H new ATOM 0 HA GLU A 35 87.229 -9.357 32.554 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.701 -9.331 30.401 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.542 -7.586 30.452 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.466 -9.163 32.899 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.602 -8.645 31.669 1.00 0.00 H new ATOM 556 N ILE A 36 86.201 -6.411 31.488 1.00 0.00 N ATOM 557 CA ILE A 36 85.745 -5.085 31.993 1.00 0.00 C ATOM 558 C ILE A 36 84.592 -5.316 32.970 1.00 0.00 C ATOM 559 O ILE A 36 84.495 -4.684 34.003 1.00 0.00 O ATOM 560 CB ILE A 36 85.273 -4.229 30.813 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.484 -3.838 29.961 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.588 -2.963 31.334 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.008 -3.277 28.620 1.00 0.00 C ATOM 0 H ILE A 36 86.075 -6.563 30.487 1.00 0.00 H new ATOM 0 HA ILE A 36 86.559 -4.566 32.499 1.00 0.00 H new ATOM 0 HB ILE A 36 84.565 -4.798 30.211 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.085 -3.095 30.485 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.122 -4.706 29.798 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.254 -2.357 30.492 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.729 -3.239 31.945 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.293 -2.390 31.936 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.871 -2.999 28.015 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.425 -4.034 28.095 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.388 -2.397 28.793 1.00 0.00 H new ATOM 575 N VAL A 37 83.731 -6.237 32.645 1.00 0.00 N ATOM 576 CA VAL A 37 82.582 -6.554 33.536 1.00 0.00 C ATOM 577 C VAL A 37 83.116 -7.081 34.869 1.00 0.00 C ATOM 578 O VAL A 37 82.608 -6.767 35.926 1.00 0.00 O ATOM 579 CB VAL A 37 81.719 -7.622 32.857 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.671 -8.155 33.838 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.018 -7.001 31.646 1.00 0.00 C ATOM 0 H VAL A 37 83.775 -6.791 31.789 1.00 0.00 H new ATOM 0 HA VAL A 37 81.982 -5.663 33.719 1.00 0.00 H new ATOM 0 HB VAL A 37 82.353 -8.449 32.536 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.063 -8.914 33.345 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.171 -8.595 34.701 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.032 -7.336 34.168 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.401 -7.755 31.157 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.388 -6.174 31.975 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.765 -6.631 30.943 1.00 0.00 H new ATOM 591 N ALA A 38 84.138 -7.886 34.816 1.00 0.00 N ATOM 592 CA ALA A 38 84.721 -8.451 36.065 1.00 0.00 C ATOM 593 C ALA A 38 85.392 -7.337 36.872 1.00 0.00 C ATOM 594 O ALA A 38 85.460 -7.392 38.083 1.00 0.00 O ATOM 595 CB ALA A 38 85.759 -9.514 35.702 1.00 0.00 C ATOM 0 H ALA A 38 84.599 -8.180 33.955 1.00 0.00 H new ATOM 0 HA ALA A 38 83.929 -8.901 36.664 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.188 -9.930 36.614 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.281 -10.309 35.130 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.549 -9.061 35.103 1.00 0.00 H new ATOM 601 N SER A 39 85.895 -6.330 36.213 1.00 0.00 N ATOM 602 CA SER A 39 86.568 -5.223 36.949 1.00 0.00 C ATOM 603 C SER A 39 85.522 -4.382 37.689 1.00 0.00 C ATOM 604 O SER A 39 85.747 -3.939 38.797 1.00 0.00 O ATOM 605 CB SER A 39 87.340 -4.346 35.963 1.00 0.00 C ATOM 606 OG SER A 39 88.500 -5.044 35.527 1.00 0.00 O ATOM 0 H SER A 39 85.869 -6.226 35.199 1.00 0.00 H new ATOM 0 HA SER A 39 87.264 -5.643 37.675 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.710 -4.095 35.110 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.623 -3.406 36.438 1.00 0.00 H new ATOM 0 HG SER A 39 88.251 -5.695 34.838 1.00 0.00 H new ATOM 612 N CYS A 40 84.380 -4.163 37.095 1.00 0.00 N ATOM 613 CA CYS A 40 83.332 -3.357 37.788 1.00 0.00 C ATOM 614 C CYS A 40 82.696 -4.211 38.890 1.00 0.00 C ATOM 615 O CYS A 40 82.045 -5.202 38.624 1.00 0.00 O ATOM 616 CB CYS A 40 82.259 -2.932 36.780 1.00 0.00 C ATOM 617 SG CYS A 40 81.142 -1.733 37.552 1.00 0.00 S ATOM 0 H CYS A 40 84.128 -4.504 36.167 1.00 0.00 H new ATOM 0 HA CYS A 40 83.781 -2.466 38.226 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.727 -2.493 35.899 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.697 -3.803 36.443 1.00 0.00 H new ATOM 0 HG CYS A 40 80.519 -1.063 36.628 1.00 0.00 H new ATOM 622 N ASP A 41 82.900 -3.846 40.127 1.00 0.00 N ATOM 623 CA ASP A 41 82.330 -4.645 41.252 1.00 0.00 C ATOM 624 C ASP A 41 80.802 -4.687 41.166 1.00 0.00 C ATOM 625 O ASP A 41 80.185 -5.700 41.431 1.00 0.00 O ATOM 626 CB ASP A 41 82.731 -3.999 42.580 1.00 0.00 C ATOM 627 CG ASP A 41 84.230 -4.187 42.812 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.817 -5.013 42.133 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.768 -3.500 43.666 1.00 0.00 O ATOM 0 H ASP A 41 83.438 -3.027 40.409 1.00 0.00 H new ATOM 0 HA ASP A 41 82.717 -5.662 41.188 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.485 -2.937 42.568 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.167 -4.447 43.398 1.00 0.00 H new ATOM 634 N LYS A 42 80.188 -3.593 40.817 1.00 0.00 N ATOM 635 CA LYS A 42 78.699 -3.564 40.737 1.00 0.00 C ATOM 636 C LYS A 42 78.193 -4.572 39.700 1.00 0.00 C ATOM 637 O LYS A 42 77.195 -5.234 39.908 1.00 0.00 O ATOM 638 CB LYS A 42 78.238 -2.156 40.356 1.00 0.00 C ATOM 639 CG LYS A 42 78.493 -1.210 41.532 1.00 0.00 C ATOM 640 CD LYS A 42 78.248 0.240 41.099 1.00 0.00 C ATOM 641 CE LYS A 42 76.759 0.456 40.806 1.00 0.00 C ATOM 642 NZ LYS A 42 76.463 1.916 40.801 1.00 0.00 N ATOM 0 H LYS A 42 80.652 -2.715 40.583 1.00 0.00 H new ATOM 0 HA LYS A 42 78.290 -3.835 41.710 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.775 -1.811 39.472 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.178 -2.163 40.102 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.837 -1.466 42.364 1.00 0.00 H new ATOM 0 HG3 LYS A 42 79.517 -1.325 41.886 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.575 0.922 41.883 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.838 0.468 40.211 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.499 0.018 39.842 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.152 -0.047 41.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.453 2.065 40.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.696 2.321 41.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.033 2.383 40.067 1.00 0.00 H new ATOM 656 N CYS A 43 78.858 -4.694 38.586 1.00 0.00 N ATOM 657 CA CYS A 43 78.387 -5.659 37.554 1.00 0.00 C ATOM 658 C CYS A 43 78.728 -7.091 37.978 1.00 0.00 C ATOM 659 O CYS A 43 78.014 -8.025 37.671 1.00 0.00 O ATOM 660 CB CYS A 43 79.074 -5.379 36.218 1.00 0.00 C ATOM 661 SG CYS A 43 78.762 -3.676 35.706 1.00 0.00 S ATOM 0 H CYS A 43 79.701 -4.172 38.346 1.00 0.00 H new ATOM 0 HA CYS A 43 77.308 -5.546 37.450 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.147 -5.549 36.309 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.705 -6.069 35.459 1.00 0.00 H new ATOM 0 HG CYS A 43 79.581 -2.879 36.326 1.00 0.00 H new ATOM 666 N GLN A 44 79.829 -7.275 38.658 1.00 0.00 N ATOM 667 CA GLN A 44 80.229 -8.654 39.068 1.00 0.00 C ATOM 668 C GLN A 44 79.436 -9.098 40.299 1.00 0.00 C ATOM 669 O GLN A 44 78.599 -9.975 40.226 1.00 0.00 O ATOM 670 CB GLN A 44 81.726 -8.661 39.415 1.00 0.00 C ATOM 671 CG GLN A 44 82.170 -10.080 39.791 1.00 0.00 C ATOM 672 CD GLN A 44 83.661 -10.081 40.141 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.493 -9.373 39.426 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.072 -10.734 41.080 1.00 0.00 N ATOM 0 H GLN A 44 80.467 -6.533 38.947 1.00 0.00 H new ATOM 0 HA GLN A 44 80.024 -9.339 38.245 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.307 -8.303 38.565 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.919 -7.979 40.243 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.588 -10.440 40.639 1.00 0.00 H new ATOM 0 HG3 GLN A 44 81.981 -10.762 38.962 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.423 -11.287 41.639 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.066 -10.729 41.309 1.00 0.00 H new ATOM 844 N PHE B 1 93.964 -14.341 22.053 1.00 0.00 N ATOM 845 CA PHE B 1 92.731 -14.118 22.857 1.00 0.00 C ATOM 846 C PHE B 1 92.133 -15.467 23.273 1.00 0.00 C ATOM 847 O PHE B 1 92.456 -16.005 24.313 1.00 0.00 O ATOM 848 CB PHE B 1 91.704 -13.342 22.021 1.00 0.00 C ATOM 849 CG PHE B 1 92.100 -11.884 21.935 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.700 -10.985 22.933 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.861 -11.430 20.850 1.00 0.00 C ATOM 852 CE1 PHE B 1 92.063 -9.634 22.846 1.00 0.00 C ATOM 853 CE2 PHE B 1 93.221 -10.080 20.763 1.00 0.00 C ATOM 854 CZ PHE B 1 92.822 -9.182 21.761 1.00 0.00 C ATOM 0 H1 PHE B 1 94.101 -13.544 21.399 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.784 -14.412 22.688 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.869 -15.223 21.510 1.00 0.00 H new ATOM 0 HA PHE B 1 92.984 -13.544 23.748 1.00 0.00 H new ATOM 0 HB2 PHE B 1 91.640 -13.769 21.020 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.715 -13.433 22.470 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.112 -11.333 23.769 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.170 -12.122 20.080 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.757 -8.942 23.616 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.807 -9.731 19.926 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.100 -8.141 21.693 1.00 0.00 H new ATOM 866 N LEU B 2 91.247 -16.007 22.477 1.00 0.00 N ATOM 867 CA LEU B 2 90.610 -17.308 22.839 1.00 0.00 C ATOM 868 C LEU B 2 91.651 -18.431 22.869 1.00 0.00 C ATOM 869 O LEU B 2 91.624 -19.282 23.733 1.00 0.00 O ATOM 870 CB LEU B 2 89.542 -17.649 21.797 1.00 0.00 C ATOM 871 CG LEU B 2 88.479 -16.543 21.754 1.00 0.00 C ATOM 872 CD1 LEU B 2 87.462 -16.869 20.655 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.759 -16.437 23.111 1.00 0.00 C ATOM 0 H LEU B 2 90.937 -15.604 21.593 1.00 0.00 H new ATOM 0 HA LEU B 2 90.163 -17.215 23.829 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.002 -17.761 20.815 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.076 -18.604 22.041 1.00 0.00 H new ATOM 0 HG LEU B 2 88.963 -15.589 21.542 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.703 -16.087 20.618 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.971 -16.926 19.693 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.987 -17.826 20.871 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.008 -15.648 23.064 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.274 -17.386 23.341 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.484 -16.202 23.890 1.00 0.00 H new ATOM 885 N ASP B 3 92.561 -18.453 21.936 1.00 0.00 N ATOM 886 CA ASP B 3 93.583 -19.541 21.928 1.00 0.00 C ATOM 887 C ASP B 3 94.478 -19.427 23.160 1.00 0.00 C ATOM 888 O ASP B 3 94.833 -20.412 23.777 1.00 0.00 O ATOM 889 CB ASP B 3 94.443 -19.423 20.674 1.00 0.00 C ATOM 890 CG ASP B 3 93.614 -19.791 19.442 1.00 0.00 C ATOM 891 OD1 ASP B 3 92.851 -18.951 18.992 1.00 0.00 O ATOM 892 OD2 ASP B 3 93.752 -20.909 18.973 1.00 0.00 O ATOM 0 H ASP B 3 92.643 -17.770 21.182 1.00 0.00 H new ATOM 0 HA ASP B 3 93.074 -20.505 21.939 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.824 -18.406 20.577 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.308 -20.081 20.752 1.00 0.00 H new ATOM 897 N GLY B 4 94.840 -18.232 23.526 1.00 0.00 N ATOM 898 CA GLY B 4 95.709 -18.051 24.721 1.00 0.00 C ATOM 899 C GLY B 4 94.941 -18.490 25.965 1.00 0.00 C ATOM 900 O GLY B 4 95.495 -19.060 26.884 1.00 0.00 O ATOM 0 H GLY B 4 94.572 -17.371 23.049 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.621 -18.638 24.615 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.010 -17.007 24.813 1.00 0.00 H new ATOM 904 N ILE B 5 93.666 -18.224 26.001 1.00 0.00 N ATOM 905 CA ILE B 5 92.856 -18.618 27.184 1.00 0.00 C ATOM 906 C ILE B 5 92.761 -20.145 27.275 1.00 0.00 C ATOM 907 O ILE B 5 92.830 -20.711 28.345 1.00 0.00 O ATOM 908 CB ILE B 5 91.451 -18.013 27.051 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.531 -16.496 27.261 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.513 -18.627 28.094 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.214 -15.847 26.826 1.00 0.00 C ATOM 0 H ILE B 5 93.150 -17.750 25.260 1.00 0.00 H new ATOM 0 HA ILE B 5 93.332 -18.246 28.091 1.00 0.00 H new ATOM 0 HB ILE B 5 91.061 -18.227 26.056 1.00 0.00 H new ATOM 0 HG12 ILE B 5 91.729 -16.274 28.310 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.359 -16.082 26.686 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.519 -18.191 27.991 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.454 -19.705 27.941 1.00 0.00 H new ATOM 0 HG23 ILE B 5 90.897 -18.423 29.094 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.273 -14.769 26.976 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.036 -16.058 25.772 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.395 -16.252 27.420 1.00 0.00 H new ATOM 923 N ASP B 6 92.598 -20.817 26.170 1.00 0.00 N ATOM 924 CA ASP B 6 92.491 -22.303 26.225 1.00 0.00 C ATOM 925 C ASP B 6 93.762 -22.905 26.828 1.00 0.00 C ATOM 926 O ASP B 6 93.701 -23.746 27.703 1.00 0.00 O ATOM 927 CB ASP B 6 92.279 -22.861 24.816 1.00 0.00 C ATOM 928 CG ASP B 6 90.861 -22.531 24.341 1.00 0.00 C ATOM 929 OD1 ASP B 6 90.645 -21.411 23.913 1.00 0.00 O ATOM 930 OD2 ASP B 6 90.016 -23.409 24.410 1.00 0.00 O ATOM 0 H ASP B 6 92.535 -20.407 25.238 1.00 0.00 H new ATOM 0 HA ASP B 6 91.640 -22.569 26.853 1.00 0.00 H new ATOM 0 HB2 ASP B 6 93.011 -22.434 24.131 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.432 -23.940 24.814 1.00 0.00 H new ATOM 935 N LYS B 7 94.913 -22.491 26.374 1.00 0.00 N ATOM 936 CA LYS B 7 96.169 -23.063 26.943 1.00 0.00 C ATOM 937 C LYS B 7 96.341 -22.578 28.380 1.00 0.00 C ATOM 938 O LYS B 7 96.747 -23.318 29.255 1.00 0.00 O ATOM 939 CB LYS B 7 97.372 -22.592 26.126 1.00 0.00 C ATOM 940 CG LYS B 7 97.362 -23.247 24.745 1.00 0.00 C ATOM 941 CD LYS B 7 98.578 -22.753 23.959 1.00 0.00 C ATOM 942 CE LYS B 7 98.596 -23.393 22.571 1.00 0.00 C ATOM 943 NZ LYS B 7 99.772 -22.884 21.812 1.00 0.00 N ATOM 0 H LYS B 7 95.040 -21.791 25.643 1.00 0.00 H new ATOM 0 HA LYS B 7 96.106 -24.151 26.915 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.348 -21.507 26.022 1.00 0.00 H new ATOM 0 HB3 LYS B 7 98.296 -22.842 26.648 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.390 -24.332 24.841 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.443 -22.998 24.215 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.546 -21.667 23.868 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.494 -23.001 24.495 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.647 -24.478 22.659 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.675 -23.159 22.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 99.789 -23.317 20.866 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 99.704 -21.850 21.719 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.646 -23.129 22.320 1.00 0.00 H new ATOM 957 N ALA B 8 96.035 -21.337 28.627 1.00 0.00 N ATOM 958 CA ALA B 8 96.177 -20.790 30.003 1.00 0.00 C ATOM 959 C ALA B 8 95.126 -21.422 30.914 1.00 0.00 C ATOM 960 O ALA B 8 95.360 -21.650 32.084 1.00 0.00 O ATOM 961 CB ALA B 8 95.992 -19.273 29.971 1.00 0.00 C ATOM 0 H ALA B 8 95.691 -20.675 27.932 1.00 0.00 H new ATOM 0 HA ALA B 8 97.170 -21.022 30.387 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.096 -18.872 30.979 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.748 -18.828 29.324 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.000 -19.035 29.587 1.00 0.00 H new ATOM 967 N GLN B 9 93.965 -21.700 30.388 1.00 0.00 N ATOM 968 CA GLN B 9 92.894 -22.308 31.224 1.00 0.00 C ATOM 969 C GLN B 9 93.346 -23.692 31.705 1.00 0.00 C ATOM 970 O GLN B 9 93.935 -24.455 30.966 1.00 0.00 O ATOM 971 CB GLN B 9 91.619 -22.435 30.388 1.00 0.00 C ATOM 972 CG GLN B 9 90.478 -22.966 31.255 1.00 0.00 C ATOM 973 CD GLN B 9 89.209 -23.079 30.408 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.242 -23.600 29.310 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.084 -22.606 30.871 1.00 0.00 N ATOM 0 H GLN B 9 93.712 -21.532 29.414 1.00 0.00 H new ATOM 0 HA GLN B 9 92.696 -21.678 32.091 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.349 -21.465 29.971 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.791 -23.107 29.547 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.742 -23.940 31.667 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.307 -22.299 32.100 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.055 -22.169 31.792 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.234 -22.674 30.312 1.00 0.00 H new ATOM 984 N GLU B 10 93.079 -24.013 32.943 1.00 0.00 N ATOM 985 CA GLU B 10 93.497 -25.339 33.484 1.00 0.00 C ATOM 986 C GLU B 10 92.844 -25.544 34.857 1.00 0.00 C ATOM 987 O GLU B 10 92.341 -24.613 35.453 1.00 0.00 O ATOM 988 CB GLU B 10 95.028 -25.374 33.609 1.00 0.00 C ATOM 989 CG GLU B 10 95.497 -26.788 33.966 1.00 0.00 C ATOM 990 CD GLU B 10 97.027 -26.841 33.937 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.632 -26.411 34.906 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.565 -27.311 32.950 1.00 0.00 O ATOM 0 H GLU B 10 92.588 -23.412 33.605 1.00 0.00 H new ATOM 0 HA GLU B 10 93.180 -26.138 32.814 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.484 -25.058 32.671 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.354 -24.671 34.375 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.132 -27.065 34.955 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.084 -27.509 33.260 1.00 0.00 H new ATOM 999 N GLU B 11 92.833 -26.756 35.352 1.00 0.00 N ATOM 1000 CA GLU B 11 92.201 -27.038 36.680 1.00 0.00 C ATOM 1001 C GLU B 11 92.516 -25.921 37.682 1.00 0.00 C ATOM 1002 O GLU B 11 93.448 -25.160 37.510 1.00 0.00 O ATOM 1003 CB GLU B 11 92.728 -28.366 37.226 1.00 0.00 C ATOM 1004 CG GLU B 11 92.173 -29.516 36.385 1.00 0.00 C ATOM 1005 CD GLU B 11 92.745 -30.842 36.892 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.880 -30.843 37.339 1.00 0.00 O ATOM 1007 OE2 GLU B 11 92.037 -31.833 36.824 1.00 0.00 O ATOM 0 H GLU B 11 93.238 -27.570 34.890 1.00 0.00 H new ATOM 0 HA GLU B 11 91.121 -27.092 36.543 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.818 -28.375 37.201 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.432 -28.487 38.268 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.085 -29.531 36.444 1.00 0.00 H new ATOM 0 HG3 GLU B 11 92.434 -29.373 35.336 1.00 0.00 H new ATOM 1014 N HIS B 12 91.734 -25.817 38.723 1.00 0.00 N ATOM 1015 CA HIS B 12 91.965 -24.752 39.740 1.00 0.00 C ATOM 1016 C HIS B 12 93.180 -25.108 40.598 1.00 0.00 C ATOM 1017 O HIS B 12 93.060 -25.463 41.754 1.00 0.00 O ATOM 1018 CB HIS B 12 90.725 -24.634 40.627 1.00 0.00 C ATOM 1019 CG HIS B 12 90.953 -23.610 41.706 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.736 -22.252 41.505 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.333 -23.739 43.019 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.976 -21.624 42.678 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.342 -22.488 43.626 1.00 0.00 N ATOM 0 H HIS B 12 90.940 -26.428 38.913 1.00 0.00 H new ATOM 0 HA HIS B 12 92.152 -23.802 39.239 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.863 -24.351 40.023 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.496 -25.601 41.076 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.448 -21.810 40.632 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.586 -24.669 43.506 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.883 -20.559 42.828 1.00 0.00 H new ATOM 1031 N GLU B 13 94.351 -25.010 40.034 1.00 0.00 N ATOM 1032 CA GLU B 13 95.589 -25.331 40.795 1.00 0.00 C ATOM 1033 C GLU B 13 96.035 -24.105 41.596 1.00 0.00 C ATOM 1034 O GLU B 13 95.347 -23.106 41.658 1.00 0.00 O ATOM 1035 CB GLU B 13 96.695 -25.721 39.816 1.00 0.00 C ATOM 1036 CG GLU B 13 96.324 -27.030 39.117 1.00 0.00 C ATOM 1037 CD GLU B 13 97.411 -27.393 38.103 1.00 0.00 C ATOM 1038 OE1 GLU B 13 98.342 -26.620 37.960 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.290 -28.439 37.485 1.00 0.00 O ATOM 0 H GLU B 13 94.504 -24.718 39.069 1.00 0.00 H new ATOM 0 HA GLU B 13 95.390 -26.157 41.478 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.837 -24.931 39.079 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.640 -25.836 40.346 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.215 -27.828 39.851 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.363 -26.926 38.614 1.00 0.00 H new ATOM 1046 N LYS B 14 97.189 -24.177 42.201 1.00 0.00 N ATOM 1047 CA LYS B 14 97.700 -23.022 42.992 1.00 0.00 C ATOM 1048 C LYS B 14 98.022 -21.874 42.038 1.00 0.00 C ATOM 1049 O LYS B 14 97.970 -20.714 42.398 1.00 0.00 O ATOM 1050 CB LYS B 14 98.980 -23.425 43.719 1.00 0.00 C ATOM 1051 CG LYS B 14 98.651 -24.417 44.834 1.00 0.00 C ATOM 1052 CD LYS B 14 99.951 -24.907 45.482 1.00 0.00 C ATOM 1053 CE LYS B 14 100.689 -23.731 46.139 1.00 0.00 C ATOM 1054 NZ LYS B 14 101.597 -24.250 47.198 1.00 0.00 N ATOM 0 H LYS B 14 97.803 -24.991 42.181 1.00 0.00 H new ATOM 0 HA LYS B 14 96.946 -22.715 43.717 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.683 -23.873 43.016 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.466 -22.543 44.136 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.016 -23.942 45.582 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.092 -25.262 44.431 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.729 -25.670 46.228 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.588 -25.372 44.730 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.261 -23.182 45.391 1.00 0.00 H new ATOM 0 HE3 LYS B 14 99.972 -23.032 46.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.098 -23.456 47.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.040 -24.756 47.916 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 102.288 -24.901 46.774 1.00 0.00 H new ATOM 1068 N TYR B 15 98.363 -22.196 40.824 1.00 0.00 N ATOM 1069 CA TYR B 15 98.701 -21.139 39.836 1.00 0.00 C ATOM 1070 C TYR B 15 97.511 -20.186 39.694 1.00 0.00 C ATOM 1071 O TYR B 15 97.678 -19.006 39.459 1.00 0.00 O ATOM 1072 CB TYR B 15 99.020 -21.795 38.487 1.00 0.00 C ATOM 1073 CG TYR B 15 100.425 -22.355 38.519 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.505 -21.546 38.147 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.648 -23.677 38.927 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.808 -22.058 38.181 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.952 -24.189 38.961 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.032 -23.378 38.588 1.00 0.00 C ATOM 1079 OH TYR B 15 104.317 -23.882 38.621 1.00 0.00 O ATOM 0 H TYR B 15 98.422 -23.152 40.472 1.00 0.00 H new ATOM 0 HA TYR B 15 99.571 -20.575 40.172 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.304 -22.591 38.279 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.926 -21.064 37.684 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.333 -20.527 37.834 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.815 -24.301 39.215 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.641 -21.434 37.893 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.124 -25.208 39.274 1.00 0.00 H new ATOM 0 HH TYR B 15 104.296 -24.813 38.927 1.00 0.00 H new ATOM 1089 N HIS B 16 96.310 -20.679 39.844 1.00 0.00 N ATOM 1090 CA HIS B 16 95.127 -19.779 39.728 1.00 0.00 C ATOM 1091 C HIS B 16 95.221 -18.677 40.791 1.00 0.00 C ATOM 1092 O HIS B 16 94.908 -17.532 40.535 1.00 0.00 O ATOM 1093 CB HIS B 16 93.835 -20.585 39.948 1.00 0.00 C ATOM 1094 CG HIS B 16 93.413 -21.260 38.670 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.086 -21.589 38.410 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.122 -21.660 37.564 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.042 -22.159 37.192 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.254 -22.225 36.637 1.00 0.00 N ATOM 0 H HIS B 16 96.099 -21.657 40.040 1.00 0.00 H new ATOM 0 HA HIS B 16 95.111 -19.334 38.733 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.993 -21.332 40.726 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.042 -19.924 40.297 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.189 -21.552 37.435 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.138 -22.518 36.722 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.493 -22.610 35.723 1.00 0.00 H new ATOM 1106 N SER B 17 95.644 -19.007 41.981 1.00 0.00 N ATOM 1107 CA SER B 17 95.746 -17.961 43.037 1.00 0.00 C ATOM 1108 C SER B 17 96.720 -16.877 42.577 1.00 0.00 C ATOM 1109 O SER B 17 96.487 -15.699 42.766 1.00 0.00 O ATOM 1110 CB SER B 17 96.252 -18.590 44.336 1.00 0.00 C ATOM 1111 OG SER B 17 97.560 -19.107 44.131 1.00 0.00 O ATOM 0 H SER B 17 95.921 -19.947 42.266 1.00 0.00 H new ATOM 0 HA SER B 17 94.765 -17.520 43.212 1.00 0.00 H new ATOM 0 HB2 SER B 17 96.264 -17.846 45.133 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.579 -19.387 44.653 1.00 0.00 H new ATOM 0 HG SER B 17 97.504 -19.950 43.634 1.00 0.00 H new ATOM 1117 N ASN B 18 97.809 -17.267 41.963 1.00 0.00 N ATOM 1118 CA ASN B 18 98.805 -16.263 41.473 1.00 0.00 C ATOM 1119 C ASN B 18 98.608 -16.038 39.972 1.00 0.00 C ATOM 1120 O ASN B 18 99.170 -16.737 39.152 1.00 0.00 O ATOM 1121 CB ASN B 18 100.216 -16.798 41.723 1.00 0.00 C ATOM 1122 CG ASN B 18 100.416 -17.021 43.222 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.141 -16.147 44.019 1.00 0.00 O ATOM 1124 ND2 ASN B 18 100.877 -18.167 43.643 1.00 0.00 N ATOM 0 H ASN B 18 98.053 -18.240 41.779 1.00 0.00 H new ATOM 0 HA ASN B 18 98.667 -15.320 42.002 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.364 -17.733 41.182 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.956 -16.092 41.347 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.006 -18.329 44.642 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.108 -18.901 42.973 1.00 0.00 H new ATOM 1131 N TRP B 19 97.820 -15.065 39.601 1.00 0.00 N ATOM 1132 CA TRP B 19 97.603 -14.799 38.151 1.00 0.00 C ATOM 1133 C TRP B 19 98.850 -14.146 37.545 1.00 0.00 C ATOM 1134 O TRP B 19 99.113 -14.271 36.364 1.00 0.00 O ATOM 1135 CB TRP B 19 96.385 -13.893 37.953 1.00 0.00 C ATOM 1136 CG TRP B 19 96.628 -12.556 38.571 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.197 -12.179 39.797 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.340 -11.413 38.017 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.595 -10.875 40.027 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.303 -10.360 38.960 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.007 -11.189 36.799 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.904 -9.129 38.705 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.616 -9.949 36.540 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.562 -8.922 37.493 1.00 0.00 C ATOM 0 H TRP B 19 97.319 -14.445 40.237 1.00 0.00 H new ATOM 0 HA TRP B 19 97.418 -15.747 37.645 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.178 -13.777 36.889 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.504 -14.353 38.400 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.635 -12.795 40.483 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.390 -10.357 40.881 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.051 -11.974 36.059 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.861 -8.340 39.441 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.128 -9.787 35.603 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.030 -7.970 37.288 1.00 0.00 H new ATOM 1155 N ARG B 20 99.615 -13.436 38.334 1.00 0.00 N ATOM 1156 CA ARG B 20 100.834 -12.770 37.784 1.00 0.00 C ATOM 1157 C ARG B 20 101.787 -13.816 37.205 1.00 0.00 C ATOM 1158 O ARG B 20 102.374 -13.619 36.159 1.00 0.00 O ATOM 1159 CB ARG B 20 101.551 -12.006 38.902 1.00 0.00 C ATOM 1160 CG ARG B 20 100.740 -10.769 39.295 1.00 0.00 C ATOM 1161 CD ARG B 20 101.437 -10.061 40.459 1.00 0.00 C ATOM 1162 NE ARG B 20 100.647 -8.852 40.871 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.411 -7.868 40.047 1.00 0.00 C ATOM 1164 NH1 ARG B 20 100.983 -7.831 38.875 1.00 0.00 N ATOM 1165 NH2 ARG B 20 99.629 -6.889 40.414 1.00 0.00 N ATOM 0 H ARG B 20 99.450 -13.289 39.330 1.00 0.00 H new ATOM 0 HA ARG B 20 100.533 -12.079 36.997 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.684 -12.654 39.768 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.546 -11.708 38.570 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.649 -10.093 38.444 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.729 -11.058 39.582 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.539 -10.744 41.302 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.444 -9.765 40.165 1.00 0.00 H new ATOM 0 HE ARG B 20 100.284 -8.798 41.823 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.621 -8.576 38.595 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.792 -7.057 38.238 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.205 -6.895 41.342 1.00 0.00 H new ATOM 0 HH22 ARG B 20 99.442 -6.118 39.773 1.00 0.00 H new ATOM 1179 N ALA B 21 101.946 -14.928 37.865 1.00 0.00 N ATOM 1180 CA ALA B 21 102.861 -15.976 37.332 1.00 0.00 C ATOM 1181 C ALA B 21 102.367 -16.421 35.957 1.00 0.00 C ATOM 1182 O ALA B 21 103.131 -16.560 35.024 1.00 0.00 O ATOM 1183 CB ALA B 21 102.885 -17.177 38.282 1.00 0.00 C ATOM 0 H ALA B 21 101.485 -15.157 38.746 1.00 0.00 H new ATOM 0 HA ALA B 21 103.869 -15.569 37.247 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.556 -17.940 37.887 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.236 -16.858 39.263 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.880 -17.589 38.373 1.00 0.00 H new ATOM 1189 N MET B 22 101.088 -16.647 35.827 1.00 0.00 N ATOM 1190 CA MET B 22 100.537 -17.084 34.517 1.00 0.00 C ATOM 1191 C MET B 22 100.729 -15.974 33.479 1.00 0.00 C ATOM 1192 O MET B 22 101.071 -16.228 32.346 1.00 0.00 O ATOM 1193 CB MET B 22 99.045 -17.395 34.682 1.00 0.00 C ATOM 1194 CG MET B 22 98.460 -17.860 33.347 1.00 0.00 C ATOM 1195 SD MET B 22 96.731 -18.351 33.580 1.00 0.00 S ATOM 1196 CE MET B 22 96.092 -16.737 34.090 1.00 0.00 C ATOM 0 H MET B 22 100.401 -16.547 36.574 1.00 0.00 H new ATOM 0 HA MET B 22 101.060 -17.978 34.176 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.907 -18.168 35.438 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.516 -16.508 35.032 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.525 -17.059 32.611 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.038 -18.698 32.957 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.035 -16.666 33.832 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.211 -16.623 35.167 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.645 -15.949 33.579 1.00 0.00 H new ATOM 1206 N ALA B 23 100.523 -14.745 33.855 1.00 0.00 N ATOM 1207 CA ALA B 23 100.705 -13.635 32.874 1.00 0.00 C ATOM 1208 C ALA B 23 102.172 -13.565 32.445 1.00 0.00 C ATOM 1209 O ALA B 23 102.481 -13.355 31.289 1.00 0.00 O ATOM 1210 CB ALA B 23 100.301 -12.311 33.520 1.00 0.00 C ATOM 0 H ALA B 23 100.238 -14.459 34.792 1.00 0.00 H new ATOM 0 HA ALA B 23 100.080 -13.819 32.000 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.434 -11.501 32.803 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.255 -12.359 33.824 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.925 -12.128 34.395 1.00 0.00 H new ATOM 1216 N SER B 24 103.078 -13.742 33.365 1.00 0.00 N ATOM 1217 CA SER B 24 104.523 -13.687 33.006 1.00 0.00 C ATOM 1218 C SER B 24 104.876 -14.891 32.135 1.00 0.00 C ATOM 1219 O SER B 24 105.630 -14.787 31.189 1.00 0.00 O ATOM 1220 CB SER B 24 105.372 -13.712 34.279 1.00 0.00 C ATOM 1221 OG SER B 24 106.749 -13.700 33.923 1.00 0.00 O ATOM 0 H SER B 24 102.881 -13.922 34.349 1.00 0.00 H new ATOM 0 HA SER B 24 104.724 -12.767 32.457 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.138 -12.850 34.904 1.00 0.00 H new ATOM 0 HB3 SER B 24 105.143 -14.602 34.866 1.00 0.00 H new ATOM 0 HG SER B 24 107.297 -13.714 34.735 1.00 0.00 H new ATOM 1227 N ASP B 25 104.341 -16.037 32.454 1.00 0.00 N ATOM 1228 CA ASP B 25 104.648 -17.255 31.653 1.00 0.00 C ATOM 1229 C ASP B 25 104.214 -17.061 30.197 1.00 0.00 C ATOM 1230 O ASP B 25 104.901 -17.467 29.280 1.00 0.00 O ATOM 1231 CB ASP B 25 103.903 -18.451 32.245 1.00 0.00 C ATOM 1232 CG ASP B 25 104.217 -19.702 31.423 1.00 0.00 C ATOM 1233 OD1 ASP B 25 103.781 -19.763 30.285 1.00 0.00 O ATOM 1234 OD2 ASP B 25 104.887 -20.578 31.945 1.00 0.00 O ATOM 0 H ASP B 25 103.703 -16.183 33.237 1.00 0.00 H new ATOM 0 HA ASP B 25 105.723 -17.433 31.681 1.00 0.00 H new ATOM 0 HB2 ASP B 25 104.199 -18.601 33.283 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.830 -18.262 32.244 1.00 0.00 H new ATOM 1239 N PHE B 26 103.078 -16.451 29.976 1.00 0.00 N ATOM 1240 CA PHE B 26 102.589 -16.237 28.576 1.00 0.00 C ATOM 1241 C PHE B 26 102.862 -14.792 28.147 1.00 0.00 C ATOM 1242 O PHE B 26 102.546 -14.395 27.043 1.00 0.00 O ATOM 1243 CB PHE B 26 101.084 -16.512 28.517 1.00 0.00 C ATOM 1244 CG PHE B 26 100.830 -17.995 28.680 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.652 -18.544 29.957 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.767 -18.821 27.551 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.414 -19.915 30.104 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.529 -20.194 27.699 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.351 -20.740 28.976 1.00 0.00 C ATOM 0 H PHE B 26 102.464 -16.090 30.706 1.00 0.00 H new ATOM 0 HA PHE B 26 103.112 -16.916 27.903 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.572 -15.957 29.303 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.678 -16.166 27.566 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.699 -17.908 30.829 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.902 -18.400 26.566 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.279 -20.337 31.089 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.483 -20.831 26.828 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.165 -21.798 29.090 1.00 0.00 H new ATOM 1259 N ASN B 27 103.450 -14.008 29.009 1.00 0.00 N ATOM 1260 CA ASN B 27 103.757 -12.591 28.653 1.00 0.00 C ATOM 1261 C ASN B 27 102.489 -11.871 28.181 1.00 0.00 C ATOM 1262 O ASN B 27 102.525 -11.083 27.258 1.00 0.00 O ATOM 1263 CB ASN B 27 104.811 -12.548 27.545 1.00 0.00 C ATOM 1264 CG ASN B 27 106.118 -13.154 28.059 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.596 -14.135 27.529 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.722 -12.602 29.077 1.00 0.00 N ATOM 0 H ASN B 27 103.732 -14.288 29.948 1.00 0.00 H new ATOM 0 HA ASN B 27 104.141 -12.087 29.540 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.460 -13.100 26.673 1.00 0.00 H new ATOM 0 HB3 ASN B 27 104.976 -11.519 27.225 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.596 -12.996 29.426 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.320 -11.777 29.523 1.00 0.00 H new ATOM 1273 N LEU B 28 101.372 -12.121 28.819 1.00 0.00 N ATOM 1274 CA LEU B 28 100.097 -11.439 28.426 1.00 0.00 C ATOM 1275 C LEU B 28 99.770 -10.401 29.504 1.00 0.00 C ATOM 1276 O LEU B 28 100.132 -10.577 30.651 1.00 0.00 O ATOM 1277 CB LEU B 28 98.966 -12.473 28.360 1.00 0.00 C ATOM 1278 CG LEU B 28 99.206 -13.448 27.191 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.393 -14.729 27.411 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.777 -12.807 25.861 1.00 0.00 C ATOM 0 H LEU B 28 101.287 -12.772 29.600 1.00 0.00 H new ATOM 0 HA LEU B 28 100.203 -10.962 27.452 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.912 -13.025 29.298 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.009 -11.968 28.232 1.00 0.00 H new ATOM 0 HG LEU B 28 100.269 -13.684 27.150 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.565 -15.416 26.582 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.702 -15.201 28.344 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.333 -14.482 27.463 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.953 -13.509 25.046 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.717 -12.558 25.903 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.357 -11.900 25.691 1.00 0.00 H new ATOM 1292 N PRO B 29 99.101 -9.326 29.164 1.00 0.00 N ATOM 1293 CA PRO B 29 98.760 -8.278 30.164 1.00 0.00 C ATOM 1294 C PRO B 29 97.711 -8.783 31.172 1.00 0.00 C ATOM 1295 O PRO B 29 96.881 -9.605 30.840 1.00 0.00 O ATOM 1296 CB PRO B 29 98.202 -7.125 29.313 1.00 0.00 C ATOM 1297 CG PRO B 29 97.683 -7.783 28.075 1.00 0.00 C ATOM 1298 CD PRO B 29 98.600 -8.983 27.820 1.00 0.00 C ATOM 0 HA PRO B 29 99.619 -7.980 30.766 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.410 -6.592 29.839 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.977 -6.395 29.078 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.649 -8.103 28.207 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.698 -7.094 27.231 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.057 -9.814 27.370 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.414 -8.729 27.141 1.00 0.00 H new ATOM 1306 N PRO B 30 97.743 -8.300 32.392 1.00 0.00 N ATOM 1307 CA PRO B 30 96.772 -8.725 33.439 1.00 0.00 C ATOM 1308 C PRO B 30 95.348 -8.883 32.884 1.00 0.00 C ATOM 1309 O PRO B 30 94.526 -9.580 33.443 1.00 0.00 O ATOM 1310 CB PRO B 30 96.827 -7.577 34.457 1.00 0.00 C ATOM 1311 CG PRO B 30 98.206 -6.998 34.334 1.00 0.00 C ATOM 1312 CD PRO B 30 98.699 -7.302 32.910 1.00 0.00 C ATOM 0 HA PRO B 30 97.023 -9.699 33.859 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.066 -6.827 34.244 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.642 -7.940 35.468 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.190 -5.923 34.515 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.875 -7.436 35.075 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.708 -6.404 32.293 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.716 -7.694 32.917 1.00 0.00 H new ATOM 1320 N VAL B 31 95.048 -8.223 31.803 1.00 0.00 N ATOM 1321 CA VAL B 31 93.676 -8.306 31.227 1.00 0.00 C ATOM 1322 C VAL B 31 93.304 -9.754 30.924 1.00 0.00 C ATOM 1323 O VAL B 31 92.312 -10.262 31.411 1.00 0.00 O ATOM 1324 CB VAL B 31 93.636 -7.484 29.934 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.251 -7.580 29.284 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.949 -6.023 30.258 1.00 0.00 C ATOM 0 H VAL B 31 95.696 -7.626 31.290 1.00 0.00 H new ATOM 0 HA VAL B 31 92.960 -7.913 31.949 1.00 0.00 H new ATOM 0 HB VAL B 31 94.377 -7.877 29.238 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.238 -6.991 28.367 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.030 -8.621 29.050 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.498 -7.196 29.973 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.922 -5.433 29.342 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.208 -5.639 30.959 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.941 -5.954 30.705 1.00 0.00 H new ATOM 1336 N VAL B 32 94.078 -10.425 30.127 1.00 0.00 N ATOM 1337 CA VAL B 32 93.742 -11.836 29.804 1.00 0.00 C ATOM 1338 C VAL B 32 93.811 -12.671 31.082 1.00 0.00 C ATOM 1339 O VAL B 32 92.945 -13.477 31.358 1.00 0.00 O ATOM 1340 CB VAL B 32 94.727 -12.376 28.761 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.546 -13.888 28.609 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.453 -11.698 27.415 1.00 0.00 C ATOM 0 H VAL B 32 94.924 -10.063 29.687 1.00 0.00 H new ATOM 0 HA VAL B 32 92.734 -11.892 29.392 1.00 0.00 H new ATOM 0 HB VAL B 32 95.747 -12.166 29.084 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.249 -14.266 27.866 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.733 -14.375 29.566 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.527 -14.102 28.286 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.150 -12.077 26.668 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.432 -11.913 27.101 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.582 -10.621 27.517 1.00 0.00 H new ATOM 1352 N ALA B 33 94.831 -12.478 31.869 1.00 0.00 N ATOM 1353 CA ALA B 33 94.948 -13.254 33.132 1.00 0.00 C ATOM 1354 C ALA B 33 93.757 -12.944 34.043 1.00 0.00 C ATOM 1355 O ALA B 33 93.119 -13.836 34.566 1.00 0.00 O ATOM 1356 CB ALA B 33 96.254 -12.887 33.841 1.00 0.00 C ATOM 0 H ALA B 33 95.588 -11.817 31.692 1.00 0.00 H new ATOM 0 HA ALA B 33 94.952 -14.319 32.901 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.338 -13.457 34.766 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.098 -13.121 33.193 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.257 -11.821 34.069 1.00 0.00 H new ATOM 1362 N LYS B 34 93.445 -11.687 34.240 1.00 0.00 N ATOM 1363 CA LYS B 34 92.292 -11.345 35.119 1.00 0.00 C ATOM 1364 C LYS B 34 90.999 -11.918 34.536 1.00 0.00 C ATOM 1365 O LYS B 34 90.150 -12.406 35.255 1.00 0.00 O ATOM 1366 CB LYS B 34 92.180 -9.823 35.253 1.00 0.00 C ATOM 1367 CG LYS B 34 93.296 -9.310 36.171 1.00 0.00 C ATOM 1368 CD LYS B 34 93.193 -7.788 36.307 1.00 0.00 C ATOM 1369 CE LYS B 34 94.204 -7.292 37.348 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.665 -7.545 38.713 1.00 0.00 N ATOM 0 H LYS B 34 93.936 -10.891 33.833 1.00 0.00 H new ATOM 0 HA LYS B 34 92.453 -11.780 36.106 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.256 -9.354 34.272 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.206 -9.553 35.661 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.218 -9.779 37.152 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.269 -9.583 35.764 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.385 -7.314 35.345 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.183 -7.507 36.605 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.157 -7.805 37.220 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.393 -6.227 37.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.270 -7.077 39.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.699 -7.166 38.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.649 -8.569 38.896 1.00 0.00 H new ATOM 1384 N GLU B 35 90.832 -11.857 33.243 1.00 0.00 N ATOM 1385 CA GLU B 35 89.581 -12.397 32.639 1.00 0.00 C ATOM 1386 C GLU B 35 89.471 -13.894 32.939 1.00 0.00 C ATOM 1387 O GLU B 35 88.408 -14.398 33.244 1.00 0.00 O ATOM 1388 CB GLU B 35 89.610 -12.177 31.122 1.00 0.00 C ATOM 1389 CG GLU B 35 88.195 -12.328 30.539 1.00 0.00 C ATOM 1390 CD GLU B 35 87.840 -13.812 30.426 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.692 -14.576 30.002 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.721 -14.160 30.767 1.00 0.00 O ATOM 0 H GLU B 35 91.501 -11.460 32.584 1.00 0.00 H new ATOM 0 HA GLU B 35 88.720 -11.880 33.064 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.000 -11.184 30.898 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.283 -12.896 30.655 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.472 -11.819 31.176 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.143 -11.856 29.558 1.00 0.00 H new ATOM 1399 N ILE B 36 90.563 -14.609 32.871 1.00 0.00 N ATOM 1400 CA ILE B 36 90.512 -16.067 33.169 1.00 0.00 C ATOM 1401 C ILE B 36 90.112 -16.244 34.632 1.00 0.00 C ATOM 1402 O ILE B 36 89.331 -17.107 34.981 1.00 0.00 O ATOM 1403 CB ILE B 36 91.893 -16.681 32.924 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.184 -16.675 31.422 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.923 -18.120 33.442 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.665 -16.969 31.185 1.00 0.00 C ATOM 0 H ILE B 36 91.484 -14.247 32.623 1.00 0.00 H new ATOM 0 HA ILE B 36 89.786 -16.564 32.526 1.00 0.00 H new ATOM 0 HB ILE B 36 92.648 -16.097 33.451 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.570 -17.422 30.919 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.922 -15.707 30.995 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.909 -18.550 33.264 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.712 -18.126 34.511 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.170 -18.710 32.920 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.870 -16.964 30.114 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.270 -16.206 31.674 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.912 -17.947 31.597 1.00 0.00 H new ATOM 1418 N VAL B 37 90.635 -15.409 35.483 1.00 0.00 N ATOM 1419 CA VAL B 37 90.296 -15.482 36.929 1.00 0.00 C ATOM 1420 C VAL B 37 88.801 -15.212 37.105 1.00 0.00 C ATOM 1421 O VAL B 37 88.132 -15.839 37.902 1.00 0.00 O ATOM 1422 CB VAL B 37 91.112 -14.422 37.676 1.00 0.00 C ATOM 1423 CG1 VAL B 37 90.614 -14.292 39.117 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.586 -14.834 37.676 1.00 0.00 C ATOM 0 H VAL B 37 91.292 -14.669 35.234 1.00 0.00 H new ATOM 0 HA VAL B 37 90.530 -16.469 37.327 1.00 0.00 H new ATOM 0 HB VAL B 37 90.997 -13.460 37.177 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.201 -13.536 39.638 1.00 0.00 H new ATOM 0 HG12 VAL B 37 89.564 -13.998 39.114 1.00 0.00 H new ATOM 0 HG13 VAL B 37 90.721 -15.249 39.627 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.173 -14.084 38.206 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.694 -15.798 38.173 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.942 -14.914 36.649 1.00 0.00 H new ATOM 1434 N ALA B 38 88.280 -14.278 36.363 1.00 0.00 N ATOM 1435 CA ALA B 38 86.832 -13.946 36.471 1.00 0.00 C ATOM 1436 C ALA B 38 85.995 -15.110 35.936 1.00 0.00 C ATOM 1437 O ALA B 38 84.882 -15.333 36.368 1.00 0.00 O ATOM 1438 CB ALA B 38 86.541 -12.687 35.652 1.00 0.00 C ATOM 0 H ALA B 38 88.798 -13.725 35.680 1.00 0.00 H new ATOM 0 HA ALA B 38 86.576 -13.771 37.516 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.482 -12.440 35.728 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.135 -11.858 36.036 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.798 -12.865 34.608 1.00 0.00 H new ATOM 1444 N SER B 39 86.513 -15.846 34.993 1.00 0.00 N ATOM 1445 CA SER B 39 85.737 -16.986 34.429 1.00 0.00 C ATOM 1446 C SER B 39 85.662 -18.121 35.454 1.00 0.00 C ATOM 1447 O SER B 39 84.648 -18.777 35.590 1.00 0.00 O ATOM 1448 CB SER B 39 86.412 -17.481 33.150 1.00 0.00 C ATOM 1449 OG SER B 39 86.191 -16.536 32.109 1.00 0.00 O ATOM 0 H SER B 39 87.439 -15.708 34.589 1.00 0.00 H new ATOM 0 HA SER B 39 84.726 -16.654 34.195 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.481 -17.613 33.316 1.00 0.00 H new ATOM 0 HB3 SER B 39 86.011 -18.454 32.866 1.00 0.00 H new ATOM 0 HG SER B 39 86.809 -15.783 32.215 1.00 0.00 H new ATOM 1455 N CYS B 40 86.718 -18.359 36.184 1.00 0.00 N ATOM 1456 CA CYS B 40 86.683 -19.450 37.203 1.00 0.00 C ATOM 1457 C CYS B 40 85.852 -18.983 38.402 1.00 0.00 C ATOM 1458 O CYS B 40 86.220 -18.064 39.107 1.00 0.00 O ATOM 1459 CB CYS B 40 88.108 -19.774 37.659 1.00 0.00 C ATOM 1460 SG CYS B 40 88.098 -21.272 38.677 1.00 0.00 S ATOM 0 H CYS B 40 87.599 -17.849 36.121 1.00 0.00 H new ATOM 0 HA CYS B 40 86.236 -20.345 36.770 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.754 -19.916 36.793 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.517 -18.939 38.228 1.00 0.00 H new ATOM 0 HG CYS B 40 89.314 -21.712 38.813 1.00 0.00 H new ATOM 1465 N ASP B 41 84.721 -19.596 38.625 1.00 0.00 N ATOM 1466 CA ASP B 41 83.848 -19.178 39.761 1.00 0.00 C ATOM 1467 C ASP B 41 84.584 -19.340 41.094 1.00 0.00 C ATOM 1468 O ASP B 41 84.462 -18.521 41.983 1.00 0.00 O ATOM 1469 CB ASP B 41 82.594 -20.053 39.780 1.00 0.00 C ATOM 1470 CG ASP B 41 81.710 -19.707 38.582 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.937 -18.670 37.984 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.823 -20.489 38.280 1.00 0.00 O ATOM 0 H ASP B 41 84.362 -20.371 38.068 1.00 0.00 H new ATOM 0 HA ASP B 41 83.579 -18.130 39.628 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.873 -21.106 39.747 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.044 -19.898 40.708 1.00 0.00 H new ATOM 1477 N LYS B 42 85.327 -20.398 41.246 1.00 0.00 N ATOM 1478 CA LYS B 42 86.050 -20.623 42.533 1.00 0.00 C ATOM 1479 C LYS B 42 87.034 -19.484 42.806 1.00 0.00 C ATOM 1480 O LYS B 42 87.183 -19.043 43.928 1.00 0.00 O ATOM 1481 CB LYS B 42 86.803 -21.952 42.466 1.00 0.00 C ATOM 1482 CG LYS B 42 85.793 -23.101 42.484 1.00 0.00 C ATOM 1483 CD LYS B 42 86.503 -24.427 42.195 1.00 0.00 C ATOM 1484 CE LYS B 42 87.440 -24.784 43.354 1.00 0.00 C ATOM 1485 NZ LYS B 42 87.795 -26.229 43.275 1.00 0.00 N ATOM 0 H LYS B 42 85.467 -21.118 40.537 1.00 0.00 H new ATOM 0 HA LYS B 42 85.323 -20.652 43.345 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.407 -21.997 41.560 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.487 -22.040 43.310 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.300 -23.147 43.455 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.016 -22.925 41.740 1.00 0.00 H new ATOM 0 HD2 LYS B 42 85.768 -25.219 42.054 1.00 0.00 H new ATOM 0 HD3 LYS B 42 87.071 -24.350 41.268 1.00 0.00 H new ATOM 0 HE2 LYS B 42 88.342 -24.173 43.309 1.00 0.00 H new ATOM 0 HE3 LYS B 42 86.957 -24.568 44.307 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 88.431 -26.474 44.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.930 -26.803 43.338 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 88.272 -26.420 42.371 1.00 0.00 H new ATOM 1499 N CYS B 43 87.715 -19.007 41.803 1.00 0.00 N ATOM 1500 CA CYS B 43 88.690 -17.905 42.039 1.00 0.00 C ATOM 1501 C CYS B 43 87.946 -16.580 42.236 1.00 0.00 C ATOM 1502 O CYS B 43 88.385 -15.714 42.968 1.00 0.00 O ATOM 1503 CB CYS B 43 89.621 -17.759 40.837 1.00 0.00 C ATOM 1504 SG CYS B 43 90.470 -19.321 40.521 1.00 0.00 S ATOM 0 H CYS B 43 87.641 -19.328 40.838 1.00 0.00 H new ATOM 0 HA CYS B 43 89.269 -18.146 42.931 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.049 -17.462 39.958 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.350 -16.971 41.025 1.00 0.00 H new ATOM 0 HG CYS B 43 89.687 -20.113 39.850 1.00 0.00 H new ATOM 1509 N GLN B 44 86.837 -16.403 41.567 1.00 0.00 N ATOM 1510 CA GLN B 44 86.088 -15.116 41.695 1.00 0.00 C ATOM 1511 C GLN B 44 85.274 -15.097 42.990 1.00 0.00 C ATOM 1512 O GLN B 44 85.569 -14.359 43.908 1.00 0.00 O ATOM 1513 CB GLN B 44 85.129 -14.974 40.505 1.00 0.00 C ATOM 1514 CG GLN B 44 84.385 -13.635 40.589 1.00 0.00 C ATOM 1515 CD GLN B 44 83.428 -13.500 39.401 1.00 0.00 C ATOM 1516 OE1 GLN B 44 82.315 -13.036 39.557 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.811 -13.888 38.215 1.00 0.00 N ATOM 0 H GLN B 44 86.418 -17.090 40.940 1.00 0.00 H new ATOM 0 HA GLN B 44 86.802 -14.293 41.711 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.686 -15.032 39.570 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.414 -15.797 40.503 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.829 -13.575 41.525 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.099 -12.811 40.589 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.744 -14.277 38.083 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.177 -13.802 37.421 1.00 0.00 H new