USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN :FLIP amide:sc= -2.1 F(o=-8.4!,f=-4.1) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.01 K(o=-4.1,f=-7.6!) USER MOD Set 2.1: B 40 CYS SG : rot -171:sc= -0.397 USER MOD Set 2.2: B 43 CYS SG : rot 180:sc= 0.69 USER MOD Set 3.1: A 40 CYS SG : rot -171:sc= -0.486 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 0.735 USER MOD Single : A 1 PHE N :NH3+ 137:sc= 0.969 (180deg=0.272) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0475 K(o=-0.048,f=-1.9!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -19:sc= 0.504 USER MOD Single : A 16 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-4.3!) USER MOD Single : A 17 SER OG : rot -36:sc= 0.192 USER MOD Single : A 18 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.9!) USER MOD Single : A 22 MET CE :methyl 155:sc= -0.245 (180deg=-1.49!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 86:sc= 1.1 USER MOD Single : A 42 LYS NZ :NH3+ 151:sc= -0.177 (180deg=-1.06) USER MOD Single : B 1 PHE N :NH3+ 143:sc= 1.05 (180deg=0.27) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.058 K(o=-0.058,f=-1.9!) USER MOD Single : B 12 CYS SG : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -16:sc= 0.45 USER MOD Single : B 16 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-4.1!) USER MOD Single : B 17 SER OG : rot -42:sc= 0.163 USER MOD Single : B 18 ASN : amide:sc= -0.0467 K(o=-0.047,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 159:sc= -0.249 (180deg=-1.48) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 97:sc= 1.1 USER MOD Single : B 42 LYS NZ :NH3+ 133:sc= -0.16 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.279 -4.635 23.954 1.00 0.00 N ATOM 2 CA PHE A 1 94.857 -3.896 25.111 1.00 0.00 C ATOM 3 C PHE A 1 94.947 -2.415 24.752 1.00 0.00 C ATOM 4 O PHE A 1 96.013 -1.878 24.526 1.00 0.00 O ATOM 5 CB PHE A 1 96.251 -4.432 25.407 1.00 0.00 C ATOM 6 CG PHE A 1 96.224 -5.945 25.406 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.656 -6.639 26.482 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.769 -6.656 24.327 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.634 -8.039 26.479 1.00 0.00 C ATOM 10 CE2 PHE A 1 96.746 -8.057 24.326 1.00 0.00 C ATOM 11 CZ PHE A 1 96.179 -8.748 25.402 1.00 0.00 C ATOM 0 H1 PHE A 1 94.809 -5.518 23.806 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.282 -4.858 24.148 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.343 -4.046 23.099 1.00 0.00 H new ATOM 0 HA PHE A 1 94.226 -4.027 25.990 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.957 -4.070 24.659 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.595 -4.065 26.374 1.00 0.00 H new ATOM 0 HD1 PHE A 1 95.235 -6.094 27.314 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.207 -6.123 23.496 1.00 0.00 H new ATOM 0 HE1 PHE A 1 95.196 -8.573 27.309 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.166 -8.603 23.494 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.162 -9.828 25.402 1.00 0.00 H new ATOM 23 N LEU A 2 93.825 -1.764 24.678 1.00 0.00 N ATOM 24 CA LEU A 2 93.800 -0.315 24.310 1.00 0.00 C ATOM 25 C LEU A 2 93.682 0.555 25.555 1.00 0.00 C ATOM 26 O LEU A 2 92.949 0.255 26.466 1.00 0.00 O ATOM 27 CB LEU A 2 92.599 -0.047 23.398 1.00 0.00 C ATOM 28 CG LEU A 2 92.677 -0.936 22.149 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.458 -0.662 21.263 1.00 0.00 C ATOM 30 CD2 LEU A 2 93.965 -0.633 21.363 1.00 0.00 C ATOM 0 H LEU A 2 92.909 -2.175 24.858 1.00 0.00 H new ATOM 0 HA LEU A 2 94.729 -0.070 23.795 1.00 0.00 H new ATOM 0 HB2 LEU A 2 91.672 -0.244 23.937 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.581 1.003 23.106 1.00 0.00 H new ATOM 0 HG LEU A 2 92.688 -1.983 22.451 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.506 -1.290 20.373 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.547 -0.888 21.817 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.452 0.387 20.967 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.010 -1.269 20.479 1.00 0.00 H new ATOM 0 HD22 LEU A 2 93.967 0.413 21.057 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.831 -0.828 21.995 1.00 0.00 H new ATOM 42 N ASP A 3 94.383 1.652 25.585 1.00 0.00 N ATOM 43 CA ASP A 3 94.288 2.554 26.761 1.00 0.00 C ATOM 44 C ASP A 3 92.834 2.998 26.880 1.00 0.00 C ATOM 45 O ASP A 3 92.296 3.131 27.962 1.00 0.00 O ATOM 46 CB ASP A 3 95.188 3.776 26.556 1.00 0.00 C ATOM 47 CG ASP A 3 95.139 4.664 27.802 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.073 5.180 28.095 1.00 0.00 O ATOM 49 OD2 ASP A 3 96.168 4.814 28.439 1.00 0.00 O ATOM 0 H ASP A 3 95.016 1.962 24.847 1.00 0.00 H new ATOM 0 HA ASP A 3 94.610 2.040 27.666 1.00 0.00 H new ATOM 0 HB2 ASP A 3 96.213 3.458 26.364 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.860 4.339 25.682 1.00 0.00 H new ATOM 54 N GLY A 4 92.183 3.208 25.766 1.00 0.00 N ATOM 55 CA GLY A 4 90.753 3.619 25.801 1.00 0.00 C ATOM 56 C GLY A 4 89.986 2.673 26.730 1.00 0.00 C ATOM 57 O GLY A 4 88.868 2.941 27.123 1.00 0.00 O ATOM 0 H GLY A 4 92.583 3.112 24.833 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.665 4.647 26.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.328 3.589 24.798 1.00 0.00 H new ATOM 61 N ILE A 5 90.592 1.571 27.093 1.00 0.00 N ATOM 62 CA ILE A 5 89.917 0.608 28.011 1.00 0.00 C ATOM 63 C ILE A 5 89.647 1.296 29.351 1.00 0.00 C ATOM 64 O ILE A 5 88.597 1.138 29.940 1.00 0.00 O ATOM 65 CB ILE A 5 90.820 -0.620 28.207 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.789 -1.476 26.939 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.338 -1.450 29.402 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.921 -2.506 26.991 1.00 0.00 C ATOM 0 H ILE A 5 91.527 1.297 26.792 1.00 0.00 H new ATOM 0 HA ILE A 5 88.968 0.283 27.585 1.00 0.00 H new ATOM 0 HB ILE A 5 91.839 -0.286 28.402 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.827 -1.981 26.852 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.898 -0.844 26.058 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.987 -2.316 29.529 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.367 -0.840 30.305 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.316 -1.785 29.224 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.900 -3.116 26.088 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.879 -1.991 27.058 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.791 -3.145 27.864 1.00 0.00 H new ATOM 80 N ASP A 6 90.582 2.066 29.829 1.00 0.00 N ATOM 81 CA ASP A 6 90.372 2.774 31.122 1.00 0.00 C ATOM 82 C ASP A 6 89.154 3.687 30.982 1.00 0.00 C ATOM 83 O ASP A 6 88.340 3.800 31.875 1.00 0.00 O ATOM 84 CB ASP A 6 91.615 3.600 31.461 1.00 0.00 C ATOM 85 CG ASP A 6 92.763 2.656 31.823 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.480 1.555 32.266 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.905 3.050 31.653 1.00 0.00 O ATOM 0 H ASP A 6 91.482 2.236 29.381 1.00 0.00 H new ATOM 0 HA ASP A 6 90.202 2.056 31.924 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.895 4.223 30.612 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.404 4.271 32.293 1.00 0.00 H new ATOM 92 N LYS A 7 89.023 4.327 29.855 1.00 0.00 N ATOM 93 CA LYS A 7 87.857 5.224 29.630 1.00 0.00 C ATOM 94 C LYS A 7 86.578 4.384 29.644 1.00 0.00 C ATOM 95 O LYS A 7 85.557 4.791 30.163 1.00 0.00 O ATOM 96 CB LYS A 7 88.015 5.918 28.273 1.00 0.00 C ATOM 97 CG LYS A 7 86.840 6.867 28.024 1.00 0.00 C ATOM 98 CD LYS A 7 87.022 7.547 26.666 1.00 0.00 C ATOM 99 CE LYS A 7 85.855 8.501 26.404 1.00 0.00 C ATOM 100 NZ LYS A 7 86.202 9.407 25.274 1.00 0.00 N ATOM 0 H LYS A 7 89.678 4.267 29.075 1.00 0.00 H new ATOM 0 HA LYS A 7 87.802 5.979 30.414 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.952 6.474 28.248 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.065 5.173 27.479 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.900 6.315 28.045 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.787 7.615 28.815 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.964 8.096 26.647 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.074 6.797 25.877 1.00 0.00 H new ATOM 0 HE2 LYS A 7 84.954 7.935 26.167 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.639 9.084 27.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.410 10.057 25.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.051 9.956 25.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.387 8.842 24.421 1.00 0.00 H new ATOM 114 N ALA A 8 86.629 3.209 29.075 1.00 0.00 N ATOM 115 CA ALA A 8 85.424 2.332 29.050 1.00 0.00 C ATOM 116 C ALA A 8 84.980 2.028 30.484 1.00 0.00 C ATOM 117 O ALA A 8 83.803 1.904 30.761 1.00 0.00 O ATOM 118 CB ALA A 8 85.763 1.025 28.329 1.00 0.00 C ATOM 0 H ALA A 8 87.457 2.818 28.625 1.00 0.00 H new ATOM 0 HA ALA A 8 84.615 2.839 28.523 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.883 0.382 28.309 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.076 1.243 27.308 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.572 0.518 28.856 1.00 0.00 H new ATOM 124 N GLN A 9 85.904 1.913 31.401 1.00 0.00 N ATOM 125 CA GLN A 9 85.510 1.624 32.810 1.00 0.00 C ATOM 126 C GLN A 9 84.608 2.752 33.310 1.00 0.00 C ATOM 127 O GLN A 9 83.619 2.526 33.978 1.00 0.00 O ATOM 128 CB GLN A 9 86.761 1.562 33.694 1.00 0.00 C ATOM 129 CG GLN A 9 87.579 0.312 33.365 1.00 0.00 C ATOM 130 CD GLN A 9 88.935 0.395 34.069 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.392 1.469 34.407 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.601 -0.701 34.309 1.00 0.00 N ATOM 0 H GLN A 9 86.906 2.006 31.237 1.00 0.00 H new ATOM 0 HA GLN A 9 84.985 0.670 32.854 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.368 2.454 33.540 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.472 1.550 34.745 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.044 -0.582 33.686 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.720 0.229 32.287 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.218 -1.603 34.026 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.505 -0.656 34.780 1.00 0.00 H new ATOM 141 N GLU A 10 84.944 3.968 32.980 1.00 0.00 N ATOM 142 CA GLU A 10 84.117 5.124 33.418 1.00 0.00 C ATOM 143 C GLU A 10 82.721 5.014 32.798 1.00 0.00 C ATOM 144 O GLU A 10 81.731 5.389 33.395 1.00 0.00 O ATOM 145 CB GLU A 10 84.777 6.427 32.956 1.00 0.00 C ATOM 146 CG GLU A 10 86.072 6.652 33.742 1.00 0.00 C ATOM 147 CD GLU A 10 85.742 6.966 35.202 1.00 0.00 C ATOM 148 OE1 GLU A 10 84.621 7.368 35.464 1.00 0.00 O ATOM 149 OE2 GLU A 10 86.618 6.798 36.035 1.00 0.00 O ATOM 0 H GLU A 10 85.762 4.211 32.422 1.00 0.00 H new ATOM 0 HA GLU A 10 84.035 5.122 34.505 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.991 6.380 31.888 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.097 7.265 33.108 1.00 0.00 H new ATOM 0 HG2 GLU A 10 86.702 5.765 33.685 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.637 7.474 33.302 1.00 0.00 H new ATOM 156 N GLU A 11 82.642 4.524 31.589 1.00 0.00 N ATOM 157 CA GLU A 11 81.321 4.409 30.897 1.00 0.00 C ATOM 158 C GLU A 11 80.697 3.030 31.154 1.00 0.00 C ATOM 159 O GLU A 11 79.642 2.718 30.640 1.00 0.00 O ATOM 160 CB GLU A 11 81.539 4.598 29.393 1.00 0.00 C ATOM 161 CG GLU A 11 81.984 6.038 29.125 1.00 0.00 C ATOM 162 CD GLU A 11 82.204 6.238 27.623 1.00 0.00 C ATOM 163 OE1 GLU A 11 82.191 5.252 26.905 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.383 7.374 27.218 1.00 0.00 O ATOM 0 H GLU A 11 83.441 4.196 31.046 1.00 0.00 H new ATOM 0 HA GLU A 11 80.644 5.172 31.282 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.293 3.899 29.032 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.619 4.382 28.850 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.229 6.736 29.488 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.904 6.252 29.669 1.00 0.00 H new ATOM 171 N CYS A 12 81.330 2.205 31.943 1.00 0.00 N ATOM 172 CA CYS A 12 80.755 0.853 32.222 1.00 0.00 C ATOM 173 C CYS A 12 79.277 0.991 32.605 1.00 0.00 C ATOM 174 O CYS A 12 78.441 0.213 32.190 1.00 0.00 O ATOM 175 CB CYS A 12 81.518 0.204 33.380 1.00 0.00 C ATOM 176 SG CYS A 12 80.915 -1.485 33.633 1.00 0.00 S ATOM 0 H CYS A 12 82.217 2.405 32.406 1.00 0.00 H new ATOM 0 HA CYS A 12 80.843 0.233 31.330 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.586 0.191 33.163 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.385 0.789 34.290 1.00 0.00 H new ATOM 0 HG CYS A 12 81.565 -2.035 34.615 1.00 0.00 H new ATOM 181 N GLU A 13 78.954 1.975 33.396 1.00 0.00 N ATOM 182 CA GLU A 13 77.534 2.177 33.817 1.00 0.00 C ATOM 183 C GLU A 13 76.652 2.407 32.587 1.00 0.00 C ATOM 184 O GLU A 13 75.530 1.947 32.517 1.00 0.00 O ATOM 185 CB GLU A 13 77.448 3.394 34.738 1.00 0.00 C ATOM 186 CG GLU A 13 78.113 3.070 36.077 1.00 0.00 C ATOM 187 CD GLU A 13 78.084 4.309 36.973 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.453 5.279 36.588 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.697 4.267 38.027 1.00 0.00 O ATOM 0 H GLU A 13 79.615 2.654 33.773 1.00 0.00 H new ATOM 0 HA GLU A 13 77.186 1.289 34.345 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.939 4.250 34.274 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.406 3.671 34.895 1.00 0.00 H new ATOM 0 HG2 GLU A 13 77.593 2.244 36.563 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.142 2.748 35.916 1.00 0.00 H new ATOM 196 N LYS A 14 77.150 3.135 31.629 1.00 0.00 N ATOM 197 CA LYS A 14 76.350 3.427 30.406 1.00 0.00 C ATOM 198 C LYS A 14 75.978 2.117 29.698 1.00 0.00 C ATOM 199 O LYS A 14 74.885 1.971 29.187 1.00 0.00 O ATOM 200 CB LYS A 14 77.183 4.317 29.473 1.00 0.00 C ATOM 201 CG LYS A 14 76.408 4.656 28.188 1.00 0.00 C ATOM 202 CD LYS A 14 75.154 5.477 28.523 1.00 0.00 C ATOM 203 CE LYS A 14 74.683 6.230 27.275 1.00 0.00 C ATOM 204 NZ LYS A 14 73.363 6.867 27.543 1.00 0.00 N ATOM 0 H LYS A 14 78.084 3.544 31.640 1.00 0.00 H new ATOM 0 HA LYS A 14 75.430 3.943 30.679 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.454 5.237 29.991 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.113 3.809 29.217 1.00 0.00 H new ATOM 0 HG2 LYS A 14 77.047 5.218 27.507 1.00 0.00 H new ATOM 0 HG3 LYS A 14 76.123 3.738 27.674 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.363 4.820 28.884 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.373 6.182 29.325 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.415 6.989 26.998 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.602 5.543 26.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.045 7.378 26.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 72.667 6.134 27.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.454 7.535 28.335 1.00 0.00 H new ATOM 218 N TYR A 15 76.874 1.164 29.651 1.00 0.00 N ATOM 219 CA TYR A 15 76.556 -0.123 28.961 1.00 0.00 C ATOM 220 C TYR A 15 75.856 -1.070 29.939 1.00 0.00 C ATOM 221 O TYR A 15 75.227 -2.031 29.544 1.00 0.00 O ATOM 222 CB TYR A 15 77.854 -0.763 28.467 1.00 0.00 C ATOM 223 CG TYR A 15 78.531 0.183 27.506 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.138 0.219 26.162 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.544 1.033 27.963 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.762 1.105 25.276 1.00 0.00 C ATOM 227 CE2 TYR A 15 80.167 1.920 27.076 1.00 0.00 C ATOM 228 CZ TYR A 15 79.776 1.956 25.733 1.00 0.00 C ATOM 229 OH TYR A 15 80.390 2.832 24.860 1.00 0.00 O ATOM 0 H TYR A 15 77.807 1.221 30.058 1.00 0.00 H new ATOM 0 HA TYR A 15 75.898 0.069 28.114 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.512 -0.980 29.309 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.643 -1.713 27.975 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.355 -0.436 25.810 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.846 1.005 29.000 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.461 1.132 24.239 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.949 2.576 27.429 1.00 0.00 H new ATOM 0 HH TYR A 15 80.236 2.537 23.938 1.00 0.00 H new ATOM 239 N HIS A 16 75.947 -0.795 31.211 1.00 0.00 N ATOM 240 CA HIS A 16 75.271 -1.663 32.220 1.00 0.00 C ATOM 241 C HIS A 16 75.782 -3.103 32.113 1.00 0.00 C ATOM 242 O HIS A 16 76.969 -3.352 32.045 1.00 0.00 O ATOM 243 CB HIS A 16 73.759 -1.636 31.981 1.00 0.00 C ATOM 244 CG HIS A 16 73.319 -0.222 31.721 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.318 0.748 32.714 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.862 0.403 30.586 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.876 1.893 32.162 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.585 1.734 30.870 1.00 0.00 N ATOM 0 H HIS A 16 76.462 -0.004 31.598 1.00 0.00 H new ATOM 0 HA HIS A 16 75.494 -1.286 33.218 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.503 -2.270 31.132 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.235 -2.038 32.849 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.737 -0.068 29.622 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.770 2.824 32.698 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.233 2.442 30.225 1.00 0.00 H new ATOM 257 N SER A 17 74.886 -4.055 32.113 1.00 0.00 N ATOM 258 CA SER A 17 75.299 -5.485 32.027 1.00 0.00 C ATOM 259 C SER A 17 75.547 -5.874 30.568 1.00 0.00 C ATOM 260 O SER A 17 76.045 -6.945 30.281 1.00 0.00 O ATOM 261 CB SER A 17 74.185 -6.362 32.601 1.00 0.00 C ATOM 262 OG SER A 17 74.649 -7.701 32.707 1.00 0.00 O ATOM 0 H SER A 17 73.879 -3.901 32.169 1.00 0.00 H new ATOM 0 HA SER A 17 76.218 -5.628 32.595 1.00 0.00 H new ATOM 0 HB2 SER A 17 73.883 -5.991 33.580 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.305 -6.320 31.959 1.00 0.00 H new ATOM 0 HG SER A 17 75.238 -7.904 31.951 1.00 0.00 H new ATOM 268 N ASN A 18 75.201 -5.024 29.640 1.00 0.00 N ATOM 269 CA ASN A 18 75.417 -5.367 28.204 1.00 0.00 C ATOM 270 C ASN A 18 76.868 -5.091 27.811 1.00 0.00 C ATOM 271 O ASN A 18 77.176 -4.089 27.197 1.00 0.00 O ATOM 272 CB ASN A 18 74.492 -4.522 27.327 1.00 0.00 C ATOM 273 CG ASN A 18 73.050 -5.009 27.478 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.812 -6.112 27.929 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.071 -4.234 27.097 1.00 0.00 N ATOM 0 H ASN A 18 74.780 -4.111 29.812 1.00 0.00 H new ATOM 0 HA ASN A 18 75.198 -6.425 28.059 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.563 -3.472 27.613 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.802 -4.590 26.284 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.106 -4.554 27.178 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.271 -3.308 26.719 1.00 0.00 H new ATOM 282 N TRP A 19 77.763 -5.981 28.146 1.00 0.00 N ATOM 283 CA TRP A 19 79.190 -5.772 27.773 1.00 0.00 C ATOM 284 C TRP A 19 79.345 -5.931 26.256 1.00 0.00 C ATOM 285 O TRP A 19 80.272 -5.422 25.659 1.00 0.00 O ATOM 286 CB TRP A 19 80.069 -6.799 28.495 1.00 0.00 C ATOM 287 CG TRP A 19 79.589 -8.181 28.184 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.707 -8.881 28.932 1.00 0.00 C ATOM 289 CD2 TRP A 19 79.941 -9.036 27.056 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.497 -10.113 28.341 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.233 -10.256 27.180 1.00 0.00 C ATOM 292 CE3 TRP A 19 80.796 -8.877 25.948 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.369 -11.278 26.241 1.00 0.00 C ATOM 294 CZ3 TRP A 19 80.932 -9.904 25.001 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.219 -11.102 25.147 1.00 0.00 C ATOM 0 H TRP A 19 77.568 -6.840 28.660 1.00 0.00 H new ATOM 0 HA TRP A 19 79.501 -4.769 28.067 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.108 -6.686 28.184 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.038 -6.626 29.571 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.242 -8.534 29.843 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.875 -10.829 28.716 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.351 -7.958 25.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.820 -12.201 26.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.590 -9.770 24.155 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.327 -11.888 24.414 1.00 0.00 H new ATOM 306 N ARG A 20 78.441 -6.640 25.631 1.00 0.00 N ATOM 307 CA ARG A 20 78.530 -6.841 24.153 1.00 0.00 C ATOM 308 C ARG A 20 78.463 -5.494 23.429 1.00 0.00 C ATOM 309 O ARG A 20 79.161 -5.265 22.462 1.00 0.00 O ATOM 310 CB ARG A 20 77.358 -7.709 23.691 1.00 0.00 C ATOM 311 CG ARG A 20 77.544 -9.140 24.195 1.00 0.00 C ATOM 312 CD ARG A 20 76.367 -9.999 23.728 1.00 0.00 C ATOM 313 NE ARG A 20 76.543 -11.396 24.216 1.00 0.00 N ATOM 314 CZ ARG A 20 75.528 -12.218 24.224 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.354 -11.812 23.825 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.688 -13.445 24.637 1.00 0.00 N ATOM 0 H ARG A 20 77.643 -7.089 26.081 1.00 0.00 H new ATOM 0 HA ARG A 20 79.477 -7.328 23.920 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.420 -7.300 24.067 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.295 -7.702 22.603 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.481 -9.551 23.819 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.606 -9.149 25.283 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.431 -9.587 24.105 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.305 -9.988 22.640 1.00 0.00 H new ATOM 0 HE ARG A 20 77.456 -11.710 24.544 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.228 -10.851 23.506 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.562 -12.455 23.832 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.605 -13.761 24.953 1.00 0.00 H new ATOM 0 HH22 ARG A 20 74.896 -14.088 24.644 1.00 0.00 H new ATOM 330 N ALA A 21 77.622 -4.606 23.879 1.00 0.00 N ATOM 331 CA ALA A 21 77.507 -3.283 23.201 1.00 0.00 C ATOM 332 C ALA A 21 78.807 -2.498 23.387 1.00 0.00 C ATOM 333 O ALA A 21 79.285 -1.846 22.480 1.00 0.00 O ATOM 334 CB ALA A 21 76.342 -2.499 23.810 1.00 0.00 C ATOM 0 H ALA A 21 77.010 -4.737 24.685 1.00 0.00 H new ATOM 0 HA ALA A 21 77.326 -3.434 22.137 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.257 -1.531 23.315 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.417 -3.059 23.675 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.522 -2.348 24.874 1.00 0.00 H new ATOM 340 N MET A 22 79.386 -2.562 24.554 1.00 0.00 N ATOM 341 CA MET A 22 80.658 -1.826 24.793 1.00 0.00 C ATOM 342 C MET A 22 81.744 -2.376 23.867 1.00 0.00 C ATOM 343 O MET A 22 82.535 -1.640 23.314 1.00 0.00 O ATOM 344 CB MET A 22 81.078 -2.014 26.253 1.00 0.00 C ATOM 345 CG MET A 22 82.377 -1.251 26.521 1.00 0.00 C ATOM 346 SD MET A 22 82.721 -1.255 28.299 1.00 0.00 S ATOM 347 CE MET A 22 82.836 -3.048 28.511 1.00 0.00 C ATOM 0 H MET A 22 79.033 -3.092 25.351 1.00 0.00 H new ATOM 0 HA MET A 22 80.517 -0.765 24.589 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.291 -1.655 26.916 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.217 -3.074 26.467 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.202 -1.713 25.979 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.292 -0.227 26.158 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.456 -3.273 29.379 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.839 -3.461 28.660 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.283 -3.492 27.621 1.00 0.00 H new ATOM 357 N ALA A 23 81.786 -3.668 23.689 1.00 0.00 N ATOM 358 CA ALA A 23 82.821 -4.266 22.799 1.00 0.00 C ATOM 359 C ALA A 23 82.682 -3.691 21.386 1.00 0.00 C ATOM 360 O ALA A 23 83.660 -3.410 20.721 1.00 0.00 O ATOM 361 CB ALA A 23 82.630 -5.783 22.753 1.00 0.00 C ATOM 0 H ALA A 23 81.148 -4.336 24.122 1.00 0.00 H new ATOM 0 HA ALA A 23 83.813 -4.032 23.186 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.385 -6.225 22.103 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.731 -6.193 23.758 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.638 -6.013 22.365 1.00 0.00 H new ATOM 367 N SER A 24 81.475 -3.516 20.922 1.00 0.00 N ATOM 368 CA SER A 24 81.268 -2.964 19.552 1.00 0.00 C ATOM 369 C SER A 24 81.734 -1.506 19.502 1.00 0.00 C ATOM 370 O SER A 24 82.267 -1.050 18.510 1.00 0.00 O ATOM 371 CB SER A 24 79.787 -3.041 19.185 1.00 0.00 C ATOM 372 OG SER A 24 79.396 -4.405 19.103 1.00 0.00 O ATOM 0 H SER A 24 80.620 -3.732 21.434 1.00 0.00 H new ATOM 0 HA SER A 24 81.849 -3.550 18.840 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.187 -2.523 19.933 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.610 -2.542 18.233 1.00 0.00 H new ATOM 0 HG SER A 24 78.446 -4.459 18.869 1.00 0.00 H new ATOM 378 N ASP A 25 81.531 -0.771 20.560 1.00 0.00 N ATOM 379 CA ASP A 25 81.954 0.658 20.570 1.00 0.00 C ATOM 380 C ASP A 25 83.477 0.735 20.593 1.00 0.00 C ATOM 381 O ASP A 25 84.084 1.517 19.889 1.00 0.00 O ATOM 382 CB ASP A 25 81.407 1.333 21.826 1.00 0.00 C ATOM 383 CG ASP A 25 81.619 2.845 21.731 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.434 3.260 20.924 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.965 3.562 22.469 1.00 0.00 O ATOM 0 H ASP A 25 81.090 -1.098 21.419 1.00 0.00 H new ATOM 0 HA ASP A 25 81.572 1.158 19.680 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.346 1.111 21.937 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.909 0.940 22.710 1.00 0.00 H new ATOM 390 N PHE A 26 84.097 -0.078 21.398 1.00 0.00 N ATOM 391 CA PHE A 26 85.590 -0.068 21.476 1.00 0.00 C ATOM 392 C PHE A 26 86.168 -1.109 20.510 1.00 0.00 C ATOM 393 O PHE A 26 87.367 -1.239 20.371 1.00 0.00 O ATOM 394 CB PHE A 26 86.030 -0.387 22.907 1.00 0.00 C ATOM 395 CG PHE A 26 85.708 0.782 23.809 1.00 0.00 C ATOM 396 CD1 PHE A 26 86.649 1.804 23.984 1.00 0.00 C ATOM 397 CD2 PHE A 26 84.471 0.851 24.466 1.00 0.00 C ATOM 398 CE1 PHE A 26 86.358 2.891 24.815 1.00 0.00 C ATOM 399 CE2 PHE A 26 84.180 1.941 25.296 1.00 0.00 C ATOM 400 CZ PHE A 26 85.123 2.960 25.471 1.00 0.00 C ATOM 0 H PHE A 26 83.637 -0.753 22.009 1.00 0.00 H new ATOM 0 HA PHE A 26 85.959 0.919 21.197 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.523 -1.284 23.263 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.100 -0.594 22.932 1.00 0.00 H new ATOM 0 HD1 PHE A 26 87.601 1.753 23.477 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.743 0.064 24.332 1.00 0.00 H new ATOM 0 HE1 PHE A 26 87.086 3.677 24.951 1.00 0.00 H new ATOM 0 HE2 PHE A 26 83.227 1.995 25.801 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.898 3.800 26.112 1.00 0.00 H new ATOM 410 N ASN A 27 85.325 -1.838 19.831 1.00 0.00 N ATOM 411 CA ASN A 27 85.821 -2.859 18.860 1.00 0.00 C ATOM 412 C ASN A 27 86.836 -3.789 19.531 1.00 0.00 C ATOM 413 O ASN A 27 87.910 -4.021 19.012 1.00 0.00 O ATOM 414 CB ASN A 27 86.485 -2.156 17.674 1.00 0.00 C ATOM 415 CG ASN A 27 85.441 -1.324 16.928 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.676 -0.175 16.609 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.288 -1.860 16.634 1.00 0.00 N ATOM 0 H ASN A 27 84.310 -1.771 19.906 1.00 0.00 H new ATOM 0 HA ASN A 27 84.975 -3.452 18.513 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.295 -1.515 18.024 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.928 -2.892 17.002 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.584 -1.315 16.136 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.091 -2.824 16.902 1.00 0.00 H new ATOM 424 N LEU A 28 86.498 -4.330 20.675 1.00 0.00 N ATOM 425 CA LEU A 28 87.430 -5.260 21.393 1.00 0.00 C ATOM 426 C LEU A 28 86.779 -6.648 21.488 1.00 0.00 C ATOM 427 O LEU A 28 85.570 -6.762 21.495 1.00 0.00 O ATOM 428 CB LEU A 28 87.665 -4.731 22.815 1.00 0.00 C ATOM 429 CG LEU A 28 88.687 -3.578 22.800 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.530 -2.731 24.071 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.123 -4.138 22.760 1.00 0.00 C ATOM 0 H LEU A 28 85.609 -4.167 21.148 1.00 0.00 H new ATOM 0 HA LEU A 28 88.375 -5.325 20.854 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.723 -4.385 23.241 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.026 -5.537 23.454 1.00 0.00 H new ATOM 0 HG LEU A 28 88.506 -2.968 21.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.254 -1.917 24.057 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.522 -2.319 24.112 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.703 -3.355 24.948 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.835 -3.313 22.750 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.297 -4.757 23.640 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.253 -4.741 21.861 1.00 0.00 H new ATOM 443 N PRO A 29 87.562 -7.697 21.583 1.00 0.00 N ATOM 444 CA PRO A 29 87.015 -9.078 21.705 1.00 0.00 C ATOM 445 C PRO A 29 86.446 -9.321 23.117 1.00 0.00 C ATOM 446 O PRO A 29 86.919 -8.746 24.077 1.00 0.00 O ATOM 447 CB PRO A 29 88.233 -9.975 21.439 1.00 0.00 C ATOM 448 CG PRO A 29 89.411 -9.157 21.864 1.00 0.00 C ATOM 449 CD PRO A 29 89.041 -7.695 21.581 1.00 0.00 C ATOM 0 HA PRO A 29 86.192 -9.271 21.017 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.171 -10.904 22.006 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.300 -10.248 20.386 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.627 -9.306 22.922 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.305 -9.446 21.312 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.441 -7.027 22.344 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.439 -7.360 20.623 1.00 0.00 H new ATOM 457 N PRO A 30 85.446 -10.161 23.256 1.00 0.00 N ATOM 458 CA PRO A 30 84.838 -10.456 24.586 1.00 0.00 C ATOM 459 C PRO A 30 85.891 -10.588 25.700 1.00 0.00 C ATOM 460 O PRO A 30 85.587 -10.466 26.871 1.00 0.00 O ATOM 461 CB PRO A 30 84.130 -11.794 24.352 1.00 0.00 C ATOM 462 CG PRO A 30 83.725 -11.767 22.912 1.00 0.00 C ATOM 463 CD PRO A 30 84.781 -10.925 22.178 1.00 0.00 C ATOM 0 HA PRO A 30 84.177 -9.657 24.922 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.793 -12.634 24.561 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.264 -11.902 25.004 1.00 0.00 H new ATOM 0 HG2 PRO A 30 83.680 -12.776 22.503 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.732 -11.332 22.796 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.490 -11.555 21.640 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.323 -10.262 21.444 1.00 0.00 H new ATOM 471 N VAL A 31 87.123 -10.856 25.347 1.00 0.00 N ATOM 472 CA VAL A 31 88.180 -11.019 26.391 1.00 0.00 C ATOM 473 C VAL A 31 88.321 -9.735 27.216 1.00 0.00 C ATOM 474 O VAL A 31 88.326 -9.769 28.430 1.00 0.00 O ATOM 475 CB VAL A 31 89.525 -11.324 25.704 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.674 -11.252 26.722 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.479 -12.728 25.092 1.00 0.00 C ATOM 0 H VAL A 31 87.442 -10.969 24.385 1.00 0.00 H new ATOM 0 HA VAL A 31 87.898 -11.837 27.053 1.00 0.00 H new ATOM 0 HB VAL A 31 89.696 -10.584 24.922 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.618 -11.470 26.222 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.715 -10.252 27.154 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.506 -11.983 27.513 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.430 -12.944 24.606 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.298 -13.462 25.878 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.676 -12.778 24.357 1.00 0.00 H new ATOM 487 N VAL A 32 88.447 -8.608 26.575 1.00 0.00 N ATOM 488 CA VAL A 32 88.607 -7.339 27.340 1.00 0.00 C ATOM 489 C VAL A 32 87.259 -6.876 27.890 1.00 0.00 C ATOM 490 O VAL A 32 87.169 -6.390 28.999 1.00 0.00 O ATOM 491 CB VAL A 32 89.181 -6.254 26.432 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.378 -4.971 27.243 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.527 -6.717 25.854 1.00 0.00 C ATOM 0 H VAL A 32 88.446 -8.509 25.560 1.00 0.00 H new ATOM 0 HA VAL A 32 89.289 -7.519 28.171 1.00 0.00 H new ATOM 0 HB VAL A 32 88.491 -6.063 25.610 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.788 -4.193 26.599 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.419 -4.643 27.643 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.068 -5.162 28.065 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.932 -5.939 25.207 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.225 -6.912 26.668 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.380 -7.630 25.276 1.00 0.00 H new ATOM 503 N ALA A 33 86.209 -7.004 27.125 1.00 0.00 N ATOM 504 CA ALA A 33 84.882 -6.547 27.621 1.00 0.00 C ATOM 505 C ALA A 33 84.530 -7.320 28.890 1.00 0.00 C ATOM 506 O ALA A 33 84.192 -6.745 29.905 1.00 0.00 O ATOM 507 CB ALA A 33 83.823 -6.798 26.545 1.00 0.00 C ATOM 0 H ALA A 33 86.213 -7.402 26.186 1.00 0.00 H new ATOM 0 HA ALA A 33 84.916 -5.481 27.845 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.851 -6.464 26.907 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.084 -6.246 25.642 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.779 -7.863 26.319 1.00 0.00 H new ATOM 513 N LYS A 34 84.631 -8.616 28.852 1.00 0.00 N ATOM 514 CA LYS A 34 84.330 -9.418 30.071 1.00 0.00 C ATOM 515 C LYS A 34 85.280 -9.016 31.199 1.00 0.00 C ATOM 516 O LYS A 34 84.894 -8.924 32.348 1.00 0.00 O ATOM 517 CB LYS A 34 84.493 -10.907 29.763 1.00 0.00 C ATOM 518 CG LYS A 34 83.347 -11.360 28.857 1.00 0.00 C ATOM 519 CD LYS A 34 83.496 -12.851 28.543 1.00 0.00 C ATOM 520 CE LYS A 34 82.335 -13.307 27.654 1.00 0.00 C ATOM 521 NZ LYS A 34 82.681 -14.604 27.007 1.00 0.00 N ATOM 0 H LYS A 34 84.908 -9.156 28.032 1.00 0.00 H new ATOM 0 HA LYS A 34 83.303 -9.228 30.382 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.451 -11.087 29.276 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.492 -11.484 30.688 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.390 -11.175 29.345 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.351 -10.782 27.933 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.446 -13.034 28.041 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.508 -13.428 29.467 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.429 -13.416 28.250 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.128 -12.554 26.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.892 -14.912 26.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.535 -14.485 26.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.858 -15.321 27.739 1.00 0.00 H new ATOM 535 N GLU A 35 86.523 -8.787 30.880 1.00 0.00 N ATOM 536 CA GLU A 35 87.506 -8.407 31.931 1.00 0.00 C ATOM 537 C GLU A 35 87.099 -7.083 32.585 1.00 0.00 C ATOM 538 O GLU A 35 87.215 -6.917 33.782 1.00 0.00 O ATOM 539 CB GLU A 35 88.889 -8.246 31.292 1.00 0.00 C ATOM 540 CG GLU A 35 89.951 -8.070 32.383 1.00 0.00 C ATOM 541 CD GLU A 35 89.900 -6.645 32.934 1.00 0.00 C ATOM 542 OE1 GLU A 35 90.052 -5.722 32.151 1.00 0.00 O ATOM 543 OE2 GLU A 35 89.712 -6.500 34.131 1.00 0.00 O ATOM 0 H GLU A 35 86.901 -8.847 29.934 1.00 0.00 H new ATOM 0 HA GLU A 35 87.532 -9.187 32.692 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.122 -9.120 30.683 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.893 -7.383 30.626 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.781 -8.786 33.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.941 -8.277 31.976 1.00 0.00 H new ATOM 550 N ILE A 36 86.625 -6.140 31.818 1.00 0.00 N ATOM 551 CA ILE A 36 86.225 -4.837 32.421 1.00 0.00 C ATOM 552 C ILE A 36 85.118 -5.097 33.445 1.00 0.00 C ATOM 553 O ILE A 36 85.117 -4.546 34.528 1.00 0.00 O ATOM 554 CB ILE A 36 85.731 -3.892 31.322 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.911 -3.489 30.434 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.137 -2.636 31.957 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.391 -2.775 29.183 1.00 0.00 C ATOM 0 H ILE A 36 86.498 -6.214 30.809 1.00 0.00 H new ATOM 0 HA ILE A 36 87.076 -4.370 32.917 1.00 0.00 H new ATOM 0 HB ILE A 36 84.971 -4.397 30.725 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.587 -2.834 30.984 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.484 -4.372 30.150 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.786 -1.964 31.174 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.301 -2.913 32.599 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.900 -2.133 32.551 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.232 -2.489 28.552 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.733 -3.444 28.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.838 -1.883 29.477 1.00 0.00 H new ATOM 569 N VAL A 37 84.194 -5.960 33.122 1.00 0.00 N ATOM 570 CA VAL A 37 83.109 -6.292 34.089 1.00 0.00 C ATOM 571 C VAL A 37 83.742 -7.024 35.274 1.00 0.00 C ATOM 572 O VAL A 37 83.385 -6.820 36.417 1.00 0.00 O ATOM 573 CB VAL A 37 82.075 -7.201 33.412 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.097 -7.745 34.459 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.302 -6.401 32.359 1.00 0.00 C ATOM 0 H VAL A 37 84.143 -6.450 32.229 1.00 0.00 H new ATOM 0 HA VAL A 37 82.609 -5.384 34.426 1.00 0.00 H new ATOM 0 HB VAL A 37 82.589 -8.034 32.933 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.365 -8.390 33.973 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.646 -8.318 35.206 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.584 -6.914 34.944 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.567 -7.047 31.878 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.792 -5.566 32.839 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.996 -6.020 31.610 1.00 0.00 H new ATOM 585 N ALA A 38 84.680 -7.888 34.991 1.00 0.00 N ATOM 586 CA ALA A 38 85.356 -8.663 36.071 1.00 0.00 C ATOM 587 C ALA A 38 86.041 -7.714 37.060 1.00 0.00 C ATOM 588 O ALA A 38 86.225 -8.041 38.215 1.00 0.00 O ATOM 589 CB ALA A 38 86.403 -9.588 35.446 1.00 0.00 C ATOM 0 H ALA A 38 85.010 -8.092 34.048 1.00 0.00 H new ATOM 0 HA ALA A 38 84.611 -9.251 36.607 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.901 -10.157 36.231 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.915 -10.274 34.754 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.140 -8.992 34.907 1.00 0.00 H new ATOM 595 N SER A 39 86.425 -6.542 36.624 1.00 0.00 N ATOM 596 CA SER A 39 87.101 -5.586 37.556 1.00 0.00 C ATOM 597 C SER A 39 86.059 -4.633 38.136 1.00 0.00 C ATOM 598 O SER A 39 86.263 -4.027 39.169 1.00 0.00 O ATOM 599 CB SER A 39 88.153 -4.781 36.790 1.00 0.00 C ATOM 600 OG SER A 39 89.187 -5.653 36.358 1.00 0.00 O ATOM 0 H SER A 39 86.301 -6.206 35.669 1.00 0.00 H new ATOM 0 HA SER A 39 87.585 -6.140 38.361 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.696 -4.287 35.933 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.564 -3.998 37.427 1.00 0.00 H new ATOM 0 HG SER A 39 88.937 -6.058 35.502 1.00 0.00 H new ATOM 606 N CYS A 40 84.933 -4.511 37.490 1.00 0.00 N ATOM 607 CA CYS A 40 83.869 -3.613 38.019 1.00 0.00 C ATOM 608 C CYS A 40 83.449 -4.105 39.405 1.00 0.00 C ATOM 609 O CYS A 40 83.613 -5.260 39.740 1.00 0.00 O ATOM 610 CB CYS A 40 82.670 -3.627 37.077 1.00 0.00 C ATOM 611 SG CYS A 40 81.281 -2.780 37.868 1.00 0.00 S ATOM 0 H CYS A 40 84.704 -4.993 36.621 1.00 0.00 H new ATOM 0 HA CYS A 40 84.247 -2.593 38.092 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.924 -3.135 36.138 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.395 -4.653 36.835 1.00 0.00 H new ATOM 0 HG CYS A 40 80.205 -2.955 37.159 1.00 0.00 H new ATOM 616 N ASP A 41 82.933 -3.234 40.221 1.00 0.00 N ATOM 617 CA ASP A 41 82.528 -3.643 41.597 1.00 0.00 C ATOM 618 C ASP A 41 81.158 -4.335 41.598 1.00 0.00 C ATOM 619 O ASP A 41 81.039 -5.508 41.888 1.00 0.00 O ATOM 620 CB ASP A 41 82.455 -2.399 42.481 1.00 0.00 C ATOM 621 CG ASP A 41 83.864 -1.840 42.692 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.806 -2.606 42.584 1.00 0.00 O ATOM 623 OD2 ASP A 41 83.974 -0.654 42.957 1.00 0.00 O ATOM 0 H ASP A 41 82.772 -2.252 39.997 1.00 0.00 H new ATOM 0 HA ASP A 41 83.268 -4.348 41.977 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.819 -1.646 42.016 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.003 -2.648 43.441 1.00 0.00 H new ATOM 628 N LYS A 42 80.123 -3.588 41.332 1.00 0.00 N ATOM 629 CA LYS A 42 78.737 -4.150 41.373 1.00 0.00 C ATOM 630 C LYS A 42 78.470 -5.118 40.210 1.00 0.00 C ATOM 631 O LYS A 42 77.760 -6.092 40.368 1.00 0.00 O ATOM 632 CB LYS A 42 77.736 -2.993 41.286 1.00 0.00 C ATOM 633 CG LYS A 42 77.937 -2.016 42.456 1.00 0.00 C ATOM 634 CD LYS A 42 77.491 -2.650 43.781 1.00 0.00 C ATOM 635 CE LYS A 42 77.320 -1.553 44.836 1.00 0.00 C ATOM 636 NZ LYS A 42 76.240 -0.618 44.413 1.00 0.00 N ATOM 0 H LYS A 42 80.176 -2.600 41.085 1.00 0.00 H new ATOM 0 HA LYS A 42 78.627 -4.705 42.305 1.00 0.00 H new ATOM 0 HB2 LYS A 42 77.861 -2.467 40.340 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.718 -3.383 41.301 1.00 0.00 H new ATOM 0 HG2 LYS A 42 78.987 -1.730 42.520 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.369 -1.104 42.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.552 -3.187 43.643 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.229 -3.379 44.115 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.074 -1.997 45.800 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.256 -1.009 44.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.787 -0.207 45.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 76.647 0.143 43.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 75.531 -1.136 43.856 1.00 0.00 H new ATOM 650 N CYS A 43 78.981 -4.854 39.040 1.00 0.00 N ATOM 651 CA CYS A 43 78.686 -5.762 37.889 1.00 0.00 C ATOM 652 C CYS A 43 79.420 -7.103 38.024 1.00 0.00 C ATOM 653 O CYS A 43 78.994 -8.096 37.469 1.00 0.00 O ATOM 654 CB CYS A 43 79.087 -5.088 36.576 1.00 0.00 C ATOM 655 SG CYS A 43 78.123 -3.572 36.351 1.00 0.00 S ATOM 0 H CYS A 43 79.584 -4.059 38.829 1.00 0.00 H new ATOM 0 HA CYS A 43 77.614 -5.961 37.890 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.152 -4.856 36.585 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.916 -5.767 35.740 1.00 0.00 H new ATOM 0 HG CYS A 43 78.468 -3.000 35.236 1.00 0.00 H new ATOM 660 N GLN A 44 80.515 -7.162 38.735 1.00 0.00 N ATOM 661 CA GLN A 44 81.235 -8.469 38.847 1.00 0.00 C ATOM 662 C GLN A 44 80.410 -9.445 39.697 1.00 0.00 C ATOM 663 O GLN A 44 80.293 -10.610 39.373 1.00 0.00 O ATOM 664 CB GLN A 44 82.617 -8.255 39.485 1.00 0.00 C ATOM 665 CG GLN A 44 83.500 -9.512 39.313 1.00 0.00 C ATOM 666 CD GLN A 44 83.285 -10.516 40.454 1.00 0.00 C ATOM 667 OE1 GLN A 44 82.472 -10.239 41.434 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 83.868 -11.583 40.441 1.00 0.00 N flip ATOM 0 H GLN A 44 80.937 -6.380 39.235 1.00 0.00 H new ATOM 0 HA GLN A 44 81.368 -8.889 37.850 1.00 0.00 H new ATOM 0 HB2 GLN A 44 83.106 -7.396 39.026 1.00 0.00 H new ATOM 0 HB3 GLN A 44 82.502 -8.028 40.545 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.272 -9.990 38.360 1.00 0.00 H new ATOM 0 HG3 GLN A 44 84.549 -9.218 39.279 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.506 -11.806 39.677 1.00 0.00 H new ATOM 0 HE22 GLN A 44 83.719 -12.255 41.194 1.00 0.00 H new ATOM 677 N LEU A 45 79.820 -8.980 40.768 1.00 0.00 N ATOM 678 CA LEU A 45 78.984 -9.889 41.617 1.00 0.00 C ATOM 679 C LEU A 45 77.548 -9.898 41.090 1.00 0.00 C ATOM 680 O LEU A 45 77.049 -8.905 40.599 1.00 0.00 O ATOM 681 CB LEU A 45 78.985 -9.409 43.076 1.00 0.00 C ATOM 682 CG LEU A 45 80.333 -9.721 43.748 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.355 -9.079 45.140 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.532 -11.251 43.879 1.00 0.00 C ATOM 0 H LEU A 45 79.879 -8.015 41.093 1.00 0.00 H new ATOM 0 HA LEU A 45 79.403 -10.894 41.574 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.794 -8.336 43.112 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.178 -9.895 43.625 1.00 0.00 H new ATOM 0 HG LEU A 45 81.140 -9.318 43.136 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.307 -9.294 45.625 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.232 -8.000 45.045 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.541 -9.485 45.741 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.491 -11.454 44.356 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.729 -11.672 44.484 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.517 -11.706 42.889 1.00 0.00 H new ATOM 839 N PHE B 1 96.126 -12.094 23.488 1.00 0.00 N ATOM 840 CA PHE B 1 95.088 -13.034 22.979 1.00 0.00 C ATOM 841 C PHE B 1 95.781 -14.267 22.406 1.00 0.00 C ATOM 842 O PHE B 1 95.830 -14.472 21.209 1.00 0.00 O ATOM 843 CB PHE B 1 94.280 -12.350 21.885 1.00 0.00 C ATOM 844 CG PHE B 1 93.892 -10.955 22.330 1.00 0.00 C ATOM 845 CD1 PHE B 1 92.872 -10.776 23.275 1.00 0.00 C ATOM 846 CD2 PHE B 1 94.554 -9.839 21.798 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.516 -9.483 23.686 1.00 0.00 C ATOM 848 CE2 PHE B 1 94.196 -8.548 22.211 1.00 0.00 C ATOM 849 CZ PHE B 1 93.177 -8.371 23.153 1.00 0.00 C ATOM 0 H1 PHE B 1 95.831 -11.115 23.297 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.242 -12.227 24.513 1.00 0.00 H new ATOM 0 H3 PHE B 1 97.030 -12.283 23.010 1.00 0.00 H new ATOM 0 HA PHE B 1 94.420 -13.327 23.789 1.00 0.00 H new ATOM 0 HB2 PHE B 1 94.864 -12.299 20.966 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.386 -12.932 21.662 1.00 0.00 H new ATOM 0 HD1 PHE B 1 92.360 -11.634 23.686 1.00 0.00 H new ATOM 0 HD2 PHE B 1 95.340 -9.974 21.070 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.731 -9.346 24.415 1.00 0.00 H new ATOM 0 HE2 PHE B 1 94.707 -7.689 21.802 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.901 -7.376 23.469 1.00 0.00 H new ATOM 861 N LEU B 2 96.336 -15.072 23.260 1.00 0.00 N ATOM 862 CA LEU B 2 97.064 -16.296 22.805 1.00 0.00 C ATOM 863 C LEU B 2 96.177 -17.528 22.930 1.00 0.00 C ATOM 864 O LEU B 2 95.463 -17.695 23.890 1.00 0.00 O ATOM 865 CB LEU B 2 98.316 -16.491 23.667 1.00 0.00 C ATOM 866 CG LEU B 2 99.217 -15.252 23.583 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.448 -15.465 24.470 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.663 -15.020 22.129 1.00 0.00 C ATOM 0 H LEU B 2 96.319 -14.937 24.271 1.00 0.00 H new ATOM 0 HA LEU B 2 97.342 -16.167 21.759 1.00 0.00 H new ATOM 0 HB2 LEU B 2 98.028 -16.671 24.703 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.864 -17.371 23.331 1.00 0.00 H new ATOM 0 HG LEU B 2 98.662 -14.379 23.925 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.093 -14.588 24.415 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.131 -15.618 25.502 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.997 -16.341 24.126 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.302 -14.138 22.081 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.217 -15.889 21.775 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.786 -14.868 21.499 1.00 0.00 H new ATOM 880 N ASP B 3 96.238 -18.408 21.972 1.00 0.00 N ATOM 881 CA ASP B 3 95.415 -19.641 22.053 1.00 0.00 C ATOM 882 C ASP B 3 95.830 -20.385 23.317 1.00 0.00 C ATOM 883 O ASP B 3 95.018 -20.968 24.008 1.00 0.00 O ATOM 884 CB ASP B 3 95.669 -20.522 20.827 1.00 0.00 C ATOM 885 CG ASP B 3 94.767 -21.758 20.885 1.00 0.00 C ATOM 886 OD1 ASP B 3 94.939 -22.549 21.799 1.00 0.00 O ATOM 887 OD2 ASP B 3 93.923 -21.893 20.016 1.00 0.00 O ATOM 0 H ASP B 3 96.821 -18.326 21.139 1.00 0.00 H new ATOM 0 HA ASP B 3 94.354 -19.392 22.081 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.472 -19.958 19.915 1.00 0.00 H new ATOM 0 HB3 ASP B 3 96.716 -20.825 20.795 1.00 0.00 H new ATOM 892 N GLY B 4 97.097 -20.350 23.635 1.00 0.00 N ATOM 893 CA GLY B 4 97.578 -21.033 24.870 1.00 0.00 C ATOM 894 C GLY B 4 96.691 -20.617 26.045 1.00 0.00 C ATOM 895 O GLY B 4 96.715 -21.219 27.099 1.00 0.00 O ATOM 0 H GLY B 4 97.820 -19.877 23.092 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.547 -22.115 24.739 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.616 -20.766 25.068 1.00 0.00 H new ATOM 899 N ILE B 5 95.896 -19.594 25.861 1.00 0.00 N ATOM 900 CA ILE B 5 94.988 -19.141 26.954 1.00 0.00 C ATOM 901 C ILE B 5 94.007 -20.265 27.290 1.00 0.00 C ATOM 902 O ILE B 5 93.714 -20.522 28.441 1.00 0.00 O ATOM 903 CB ILE B 5 94.229 -17.885 26.490 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.184 -16.689 26.496 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.044 -17.605 27.423 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.548 -15.524 25.732 1.00 0.00 C ATOM 0 H ILE B 5 95.838 -19.053 24.998 1.00 0.00 H new ATOM 0 HA ILE B 5 95.564 -18.897 27.847 1.00 0.00 H new ATOM 0 HB ILE B 5 93.849 -18.048 25.482 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.402 -16.390 27.521 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.133 -16.965 26.036 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.516 -16.714 27.083 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.363 -18.456 27.412 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.409 -17.445 28.437 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.228 -14.672 25.736 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.352 -15.827 24.703 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.611 -15.243 26.212 1.00 0.00 H new ATOM 918 N ASP B 6 93.504 -20.943 26.298 1.00 0.00 N ATOM 919 CA ASP B 6 92.555 -22.058 26.567 1.00 0.00 C ATOM 920 C ASP B 6 93.264 -23.105 27.427 1.00 0.00 C ATOM 921 O ASP B 6 92.697 -23.665 28.342 1.00 0.00 O ATOM 922 CB ASP B 6 92.107 -22.680 25.243 1.00 0.00 C ATOM 923 CG ASP B 6 91.202 -21.692 24.500 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.588 -20.871 25.160 1.00 0.00 O ATOM 925 OD2 ASP B 6 91.139 -21.775 23.285 1.00 0.00 O ATOM 0 H ASP B 6 93.709 -20.774 25.313 1.00 0.00 H new ATOM 0 HA ASP B 6 91.676 -21.686 27.093 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.975 -22.926 24.632 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.573 -23.612 25.428 1.00 0.00 H new ATOM 930 N LYS B 7 94.510 -23.357 27.140 1.00 0.00 N ATOM 931 CA LYS B 7 95.283 -24.350 27.936 1.00 0.00 C ATOM 932 C LYS B 7 95.412 -23.836 29.372 1.00 0.00 C ATOM 933 O LYS B 7 95.332 -24.588 30.324 1.00 0.00 O ATOM 934 CB LYS B 7 96.671 -24.517 27.311 1.00 0.00 C ATOM 935 CG LYS B 7 97.484 -25.551 28.097 1.00 0.00 C ATOM 936 CD LYS B 7 98.864 -25.702 27.452 1.00 0.00 C ATOM 937 CE LYS B 7 99.685 -26.733 28.226 1.00 0.00 C ATOM 938 NZ LYS B 7 100.869 -27.132 27.413 1.00 0.00 N ATOM 0 H LYS B 7 95.030 -22.914 26.382 1.00 0.00 H new ATOM 0 HA LYS B 7 94.774 -25.314 27.941 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.575 -24.833 26.272 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.193 -23.560 27.306 1.00 0.00 H new ATOM 0 HG2 LYS B 7 97.587 -25.237 29.136 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.966 -26.510 28.104 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.758 -26.013 26.413 1.00 0.00 H new ATOM 0 HD3 LYS B 7 99.380 -24.742 27.446 1.00 0.00 H new ATOM 0 HE2 LYS B 7 100.008 -26.315 29.180 1.00 0.00 H new ATOM 0 HE3 LYS B 7 99.073 -27.607 28.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 101.430 -27.834 27.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.549 -27.546 26.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 101.455 -26.295 27.220 1.00 0.00 H new ATOM 952 N ALA B 8 95.612 -22.556 29.533 1.00 0.00 N ATOM 953 CA ALA B 8 95.749 -21.982 30.900 1.00 0.00 C ATOM 954 C ALA B 8 94.472 -22.255 31.699 1.00 0.00 C ATOM 955 O ALA B 8 94.515 -22.467 32.896 1.00 0.00 O ATOM 956 CB ALA B 8 95.977 -20.472 30.799 1.00 0.00 C ATOM 0 H ALA B 8 95.687 -21.881 28.772 1.00 0.00 H new ATOM 0 HA ALA B 8 96.598 -22.444 31.405 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.077 -20.051 31.800 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.887 -20.279 30.231 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.129 -20.009 30.294 1.00 0.00 H new ATOM 962 N GLN B 9 93.334 -22.257 31.055 1.00 0.00 N ATOM 963 CA GLN B 9 92.068 -22.527 31.798 1.00 0.00 C ATOM 964 C GLN B 9 92.159 -23.914 32.433 1.00 0.00 C ATOM 965 O GLN B 9 91.765 -24.122 33.562 1.00 0.00 O ATOM 966 CB GLN B 9 90.884 -22.504 30.826 1.00 0.00 C ATOM 967 CG GLN B 9 90.630 -21.077 30.341 1.00 0.00 C ATOM 968 CD GLN B 9 89.616 -21.107 29.193 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.462 -22.113 28.531 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.913 -20.040 28.930 1.00 0.00 N ATOM 0 H GLN B 9 93.227 -22.085 30.055 1.00 0.00 H new ATOM 0 HA GLN B 9 91.924 -21.766 32.565 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.089 -23.154 29.976 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.992 -22.893 31.317 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.252 -20.464 31.159 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.563 -20.623 30.006 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.042 -19.195 29.486 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.234 -20.051 28.169 1.00 0.00 H new ATOM 979 N GLU B 10 92.685 -24.863 31.709 1.00 0.00 N ATOM 980 CA GLU B 10 92.818 -26.241 32.256 1.00 0.00 C ATOM 981 C GLU B 10 93.755 -26.221 33.467 1.00 0.00 C ATOM 982 O GLU B 10 93.581 -26.962 34.415 1.00 0.00 O ATOM 983 CB GLU B 10 93.397 -27.162 31.179 1.00 0.00 C ATOM 984 CG GLU B 10 92.366 -27.362 30.067 1.00 0.00 C ATOM 985 CD GLU B 10 91.192 -28.190 30.591 1.00 0.00 C ATOM 986 OE1 GLU B 10 91.370 -28.872 31.588 1.00 0.00 O ATOM 987 OE2 GLU B 10 90.132 -28.127 29.990 1.00 0.00 O ATOM 0 H GLU B 10 93.030 -24.742 30.757 1.00 0.00 H new ATOM 0 HA GLU B 10 91.838 -26.608 32.561 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.310 -26.730 30.769 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.667 -28.124 31.615 1.00 0.00 H new ATOM 0 HG2 GLU B 10 92.010 -26.395 29.710 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.827 -27.865 29.217 1.00 0.00 H new ATOM 994 N GLU B 11 94.765 -25.392 33.428 1.00 0.00 N ATOM 995 CA GLU B 11 95.745 -25.330 34.556 1.00 0.00 C ATOM 996 C GLU B 11 95.323 -24.266 35.579 1.00 0.00 C ATOM 997 O GLU B 11 96.012 -24.024 36.550 1.00 0.00 O ATOM 998 CB GLU B 11 97.122 -24.974 33.987 1.00 0.00 C ATOM 999 CG GLU B 11 97.621 -26.125 33.111 1.00 0.00 C ATOM 1000 CD GLU B 11 98.995 -25.777 32.537 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.402 -24.636 32.677 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.618 -26.659 31.969 1.00 0.00 O ATOM 0 H GLU B 11 94.955 -24.750 32.658 1.00 0.00 H new ATOM 0 HA GLU B 11 95.779 -26.297 35.058 1.00 0.00 H new ATOM 0 HB2 GLU B 11 97.060 -24.057 33.401 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.826 -24.787 34.798 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.683 -27.041 33.698 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.915 -26.312 32.302 1.00 0.00 H new ATOM 1009 N CYS B 12 94.200 -23.630 35.378 1.00 0.00 N ATOM 1010 CA CYS B 12 93.751 -22.588 36.352 1.00 0.00 C ATOM 1011 C CYS B 12 93.849 -23.140 37.778 1.00 0.00 C ATOM 1012 O CYS B 12 94.261 -22.455 38.693 1.00 0.00 O ATOM 1013 CB CYS B 12 92.296 -22.210 36.059 1.00 0.00 C ATOM 1014 SG CYS B 12 91.794 -20.849 37.143 1.00 0.00 S ATOM 0 H CYS B 12 93.576 -23.784 34.586 1.00 0.00 H new ATOM 0 HA CYS B 12 94.387 -21.708 36.256 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.189 -21.916 35.015 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.647 -23.072 36.215 1.00 0.00 H new ATOM 0 HG CYS B 12 90.560 -20.527 36.892 1.00 0.00 H new ATOM 1019 N GLU B 13 93.470 -24.373 37.971 1.00 0.00 N ATOM 1020 CA GLU B 13 93.535 -24.983 39.332 1.00 0.00 C ATOM 1021 C GLU B 13 94.980 -24.975 39.838 1.00 0.00 C ATOM 1022 O GLU B 13 95.241 -24.757 41.004 1.00 0.00 O ATOM 1023 CB GLU B 13 93.031 -26.425 39.265 1.00 0.00 C ATOM 1024 CG GLU B 13 91.524 -26.428 39.007 1.00 0.00 C ATOM 1025 CD GLU B 13 91.032 -27.870 38.875 1.00 0.00 C ATOM 1026 OE1 GLU B 13 91.821 -28.770 39.114 1.00 0.00 O ATOM 1027 OE2 GLU B 13 89.874 -28.051 38.535 1.00 0.00 O ATOM 0 H GLU B 13 93.115 -24.990 37.240 1.00 0.00 H new ATOM 0 HA GLU B 13 92.912 -24.405 40.014 1.00 0.00 H new ATOM 0 HB2 GLU B 13 93.547 -26.965 38.472 1.00 0.00 H new ATOM 0 HB3 GLU B 13 93.252 -26.942 40.199 1.00 0.00 H new ATOM 0 HG2 GLU B 13 91.003 -25.928 39.824 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.299 -25.871 38.098 1.00 0.00 H new ATOM 1034 N LYS B 14 95.915 -25.237 38.971 1.00 0.00 N ATOM 1035 CA LYS B 14 97.346 -25.274 39.387 1.00 0.00 C ATOM 1036 C LYS B 14 97.758 -23.909 39.955 1.00 0.00 C ATOM 1037 O LYS B 14 98.499 -23.829 40.916 1.00 0.00 O ATOM 1038 CB LYS B 14 98.205 -25.623 38.165 1.00 0.00 C ATOM 1039 CG LYS B 14 99.699 -25.676 38.530 1.00 0.00 C ATOM 1040 CD LYS B 14 99.958 -26.801 39.546 1.00 0.00 C ATOM 1041 CE LYS B 14 101.441 -27.189 39.518 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.733 -28.131 40.638 1.00 0.00 N ATOM 0 H LYS B 14 95.749 -25.429 37.983 1.00 0.00 H new ATOM 0 HA LYS B 14 97.490 -26.027 40.161 1.00 0.00 H new ATOM 0 HB2 LYS B 14 97.893 -26.586 37.761 1.00 0.00 H new ATOM 0 HB3 LYS B 14 98.046 -24.882 37.382 1.00 0.00 H new ATOM 0 HG2 LYS B 14 100.294 -25.843 37.632 1.00 0.00 H new ATOM 0 HG3 LYS B 14 100.013 -24.719 38.948 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.677 -26.473 40.547 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.341 -27.668 39.309 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.687 -27.655 38.564 1.00 0.00 H new ATOM 0 HE3 LYS B 14 102.062 -26.298 39.608 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.739 -28.393 40.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.513 -27.671 41.545 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.150 -28.986 40.533 1.00 0.00 H new ATOM 1056 N TYR B 15 97.302 -22.832 39.367 1.00 0.00 N ATOM 1057 CA TYR B 15 97.689 -21.483 39.880 1.00 0.00 C ATOM 1058 C TYR B 15 96.734 -21.068 41.003 1.00 0.00 C ATOM 1059 O TYR B 15 97.024 -20.178 41.777 1.00 0.00 O ATOM 1060 CB TYR B 15 97.611 -20.469 38.740 1.00 0.00 C ATOM 1061 CG TYR B 15 98.556 -20.893 37.643 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.915 -20.569 37.725 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.072 -21.621 36.550 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.792 -20.973 36.709 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.948 -22.026 35.536 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.307 -21.701 35.616 1.00 0.00 C ATOM 1067 OH TYR B 15 101.171 -22.102 34.616 1.00 0.00 O ATOM 0 H TYR B 15 96.681 -22.828 38.558 1.00 0.00 H new ATOM 0 HA TYR B 15 98.707 -21.518 40.268 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.592 -20.410 38.358 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.874 -19.475 39.101 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.287 -20.009 38.570 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.023 -21.870 36.489 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.841 -20.723 36.769 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.576 -22.589 34.693 1.00 0.00 H new ATOM 0 HH TYR B 15 102.007 -21.595 34.683 1.00 0.00 H new ATOM 1077 N HIS B 16 95.606 -21.717 41.108 1.00 0.00 N ATOM 1078 CA HIS B 16 94.640 -21.378 42.195 1.00 0.00 C ATOM 1079 C HIS B 16 94.217 -19.909 42.094 1.00 0.00 C ATOM 1080 O HIS B 16 93.880 -19.417 41.035 1.00 0.00 O ATOM 1081 CB HIS B 16 95.298 -21.630 43.554 1.00 0.00 C ATOM 1082 CG HIS B 16 96.032 -22.942 43.521 1.00 0.00 C ATOM 1083 ND1 HIS B 16 95.368 -24.161 43.460 1.00 0.00 N ATOM 1084 CD2 HIS B 16 97.372 -23.245 43.538 1.00 0.00 C ATOM 1085 CE1 HIS B 16 96.301 -25.131 43.442 1.00 0.00 C ATOM 1086 NE2 HIS B 16 97.535 -24.625 43.488 1.00 0.00 N ATOM 0 H HIS B 16 95.310 -22.470 40.486 1.00 0.00 H new ATOM 0 HA HIS B 16 93.755 -22.005 42.091 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.989 -20.821 43.791 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.542 -21.644 44.339 1.00 0.00 H new ATOM 0 HD2 HIS B 16 98.174 -22.523 43.583 1.00 0.00 H new ATOM 0 HE1 HIS B 16 96.079 -26.187 43.396 1.00 0.00 H new ATOM 0 HE2 HIS B 16 98.414 -25.142 43.487 1.00 0.00 H new ATOM 1095 N SER B 17 94.219 -19.212 43.199 1.00 0.00 N ATOM 1096 CA SER B 17 93.807 -17.780 43.193 1.00 0.00 C ATOM 1097 C SER B 17 94.980 -16.894 42.766 1.00 0.00 C ATOM 1098 O SER B 17 94.820 -15.712 42.537 1.00 0.00 O ATOM 1099 CB SER B 17 93.359 -17.381 44.600 1.00 0.00 C ATOM 1100 OG SER B 17 92.772 -16.086 44.557 1.00 0.00 O ATOM 0 H SER B 17 94.491 -19.577 44.112 1.00 0.00 H new ATOM 0 HA SER B 17 92.987 -17.647 42.488 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.641 -18.106 44.985 1.00 0.00 H new ATOM 0 HB3 SER B 17 94.211 -17.384 45.280 1.00 0.00 H new ATOM 0 HG SER B 17 93.306 -15.504 43.977 1.00 0.00 H new ATOM 1106 N ASN B 18 96.159 -17.447 42.663 1.00 0.00 N ATOM 1107 CA ASN B 18 97.333 -16.618 42.258 1.00 0.00 C ATOM 1108 C ASN B 18 97.357 -16.454 40.738 1.00 0.00 C ATOM 1109 O ASN B 18 98.098 -17.121 40.044 1.00 0.00 O ATOM 1110 CB ASN B 18 98.625 -17.301 42.708 1.00 0.00 C ATOM 1111 CG ASN B 18 98.765 -17.194 44.227 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.131 -16.365 44.850 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.589 -17.989 44.851 1.00 0.00 N ATOM 0 H ASN B 18 96.360 -18.431 42.840 1.00 0.00 H new ATOM 0 HA ASN B 18 97.252 -15.638 42.728 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.617 -18.349 42.407 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.482 -16.836 42.221 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.702 -17.915 45.862 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.121 -18.685 44.328 1.00 0.00 H new ATOM 1120 N TRP B 19 96.564 -15.557 40.216 1.00 0.00 N ATOM 1121 CA TRP B 19 96.560 -15.340 38.743 1.00 0.00 C ATOM 1122 C TRP B 19 97.875 -14.671 38.327 1.00 0.00 C ATOM 1123 O TRP B 19 98.297 -14.758 37.191 1.00 0.00 O ATOM 1124 CB TRP B 19 95.376 -14.447 38.356 1.00 0.00 C ATOM 1125 CG TRP B 19 95.437 -13.166 39.126 1.00 0.00 C ATOM 1126 CD1 TRP B 19 94.810 -12.940 40.303 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.157 -11.940 38.802 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.094 -11.651 40.720 1.00 0.00 N ATOM 1129 CE2 TRP B 19 95.922 -10.996 39.831 1.00 0.00 C ATOM 1130 CE3 TRP B 19 96.982 -11.555 37.727 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.483 -9.720 39.795 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.549 -10.271 37.690 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.301 -9.356 38.722 1.00 0.00 C ATOM 0 H TRP B 19 95.921 -14.968 40.745 1.00 0.00 H new ATOM 0 HA TRP B 19 96.463 -16.298 38.232 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.398 -14.241 37.286 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.437 -14.962 38.562 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.190 -13.649 40.831 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.735 -11.236 41.580 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.180 -12.252 36.926 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.287 -9.017 40.591 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.180 -9.987 36.861 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.742 -8.371 38.688 1.00 0.00 H new ATOM 1144 N ARG B 20 98.522 -14.000 39.243 1.00 0.00 N ATOM 1145 CA ARG B 20 99.808 -13.318 38.911 1.00 0.00 C ATOM 1146 C ARG B 20 100.848 -14.340 38.448 1.00 0.00 C ATOM 1147 O ARG B 20 101.605 -14.096 37.529 1.00 0.00 O ATOM 1148 CB ARG B 20 100.339 -12.604 40.155 1.00 0.00 C ATOM 1149 CG ARG B 20 99.448 -11.405 40.485 1.00 0.00 C ATOM 1150 CD ARG B 20 99.986 -10.697 41.730 1.00 0.00 C ATOM 1151 NE ARG B 20 99.122 -9.529 42.056 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.184 -8.978 43.237 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.990 -9.463 44.143 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.439 -7.944 43.514 1.00 0.00 N ATOM 0 H ARG B 20 98.214 -13.894 40.210 1.00 0.00 H new ATOM 0 HA ARG B 20 99.627 -12.600 38.111 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.363 -13.294 40.999 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.363 -12.272 39.985 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.424 -10.714 39.643 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.424 -11.736 40.656 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.011 -11.389 42.572 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.011 -10.367 41.558 1.00 0.00 H new ATOM 0 HE ARG B 20 98.480 -9.159 41.355 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.571 -10.273 43.927 1.00 0.00 H new ATOM 0 HH12 ARG B 20 100.038 -9.032 45.066 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.808 -7.566 42.807 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.487 -7.513 44.437 1.00 0.00 H new ATOM 1168 N ALA B 21 100.901 -15.477 39.082 1.00 0.00 N ATOM 1169 CA ALA B 21 101.904 -16.502 38.681 1.00 0.00 C ATOM 1170 C ALA B 21 101.573 -17.024 37.282 1.00 0.00 C ATOM 1171 O ALA B 21 102.447 -17.234 36.465 1.00 0.00 O ATOM 1172 CB ALA B 21 101.875 -17.661 39.683 1.00 0.00 C ATOM 0 H ALA B 21 100.295 -15.741 39.859 1.00 0.00 H new ATOM 0 HA ALA B 21 102.898 -16.054 38.672 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.609 -18.413 39.391 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.115 -17.287 40.679 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.881 -18.109 39.693 1.00 0.00 H new ATOM 1178 N MET B 22 100.317 -17.227 36.996 1.00 0.00 N ATOM 1179 CA MET B 22 99.931 -17.727 35.646 1.00 0.00 C ATOM 1180 C MET B 22 100.336 -16.696 34.589 1.00 0.00 C ATOM 1181 O MET B 22 100.813 -17.036 33.525 1.00 0.00 O ATOM 1182 CB MET B 22 98.417 -17.942 35.605 1.00 0.00 C ATOM 1183 CG MET B 22 98.007 -18.472 34.231 1.00 0.00 C ATOM 1184 SD MET B 22 96.268 -18.977 34.273 1.00 0.00 S ATOM 1185 CE MET B 22 95.567 -17.365 34.704 1.00 0.00 C ATOM 0 H MET B 22 99.541 -17.068 37.638 1.00 0.00 H new ATOM 0 HA MET B 22 100.437 -18.670 35.441 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.119 -18.647 36.381 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.901 -17.004 35.812 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.155 -17.702 33.473 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.636 -19.318 33.953 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.513 -17.340 34.426 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.663 -17.202 35.777 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.102 -16.581 34.169 1.00 0.00 H new ATOM 1195 N ALA B 23 100.153 -15.437 34.876 1.00 0.00 N ATOM 1196 CA ALA B 23 100.524 -14.385 33.888 1.00 0.00 C ATOM 1197 C ALA B 23 102.018 -14.487 33.564 1.00 0.00 C ATOM 1198 O ALA B 23 102.428 -14.338 32.430 1.00 0.00 O ATOM 1199 CB ALA B 23 100.222 -13.007 34.480 1.00 0.00 C ATOM 0 H ALA B 23 99.762 -15.091 35.752 1.00 0.00 H new ATOM 0 HA ALA B 23 99.947 -14.525 32.974 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.492 -12.235 33.760 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.159 -12.934 34.708 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.800 -12.869 35.394 1.00 0.00 H new ATOM 1205 N SER B 24 102.833 -14.739 34.553 1.00 0.00 N ATOM 1206 CA SER B 24 104.300 -14.851 34.307 1.00 0.00 C ATOM 1207 C SER B 24 104.596 -16.087 33.454 1.00 0.00 C ATOM 1208 O SER B 24 105.482 -16.080 32.621 1.00 0.00 O ATOM 1209 CB SER B 24 105.034 -14.965 35.643 1.00 0.00 C ATOM 1210 OG SER B 24 104.866 -13.759 36.373 1.00 0.00 O ATOM 0 H SER B 24 102.546 -14.872 35.523 1.00 0.00 H new ATOM 0 HA SER B 24 104.641 -13.962 33.776 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.644 -15.807 36.215 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.094 -15.157 35.474 1.00 0.00 H new ATOM 0 HG SER B 24 105.334 -13.828 37.231 1.00 0.00 H new ATOM 1216 N ASP B 25 103.869 -17.150 33.658 1.00 0.00 N ATOM 1217 CA ASP B 25 104.114 -18.388 32.864 1.00 0.00 C ATOM 1218 C ASP B 25 103.684 -18.156 31.420 1.00 0.00 C ATOM 1219 O ASP B 25 104.366 -18.529 30.486 1.00 0.00 O ATOM 1220 CB ASP B 25 103.283 -19.529 33.447 1.00 0.00 C ATOM 1221 CG ASP B 25 103.703 -20.851 32.802 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.324 -20.806 31.753 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.396 -21.888 33.368 1.00 0.00 O ATOM 0 H ASP B 25 103.114 -17.216 34.341 1.00 0.00 H new ATOM 0 HA ASP B 25 105.174 -18.640 32.899 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.423 -19.579 34.527 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.223 -19.347 33.271 1.00 0.00 H new ATOM 1228 N PHE B 26 102.553 -17.539 31.233 1.00 0.00 N ATOM 1229 CA PHE B 26 102.061 -17.271 29.847 1.00 0.00 C ATOM 1230 C PHE B 26 102.516 -15.878 29.394 1.00 0.00 C ATOM 1231 O PHE B 26 102.272 -15.471 28.276 1.00 0.00 O ATOM 1232 CB PHE B 26 100.533 -17.350 29.819 1.00 0.00 C ATOM 1233 CG PHE B 26 100.098 -18.790 29.982 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.934 -19.597 28.849 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.861 -19.320 31.258 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.534 -20.931 28.991 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.462 -20.656 31.397 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.298 -21.460 30.264 1.00 0.00 C ATOM 0 H PHE B 26 101.943 -17.206 31.980 1.00 0.00 H new ATOM 0 HA PHE B 26 102.473 -18.019 29.169 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.112 -16.739 30.618 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.155 -16.949 28.879 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.116 -19.190 27.865 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.986 -18.699 32.133 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.408 -21.552 28.117 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.281 -21.065 32.380 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.989 -22.489 30.372 1.00 0.00 H new ATOM 1248 N ASN B 27 103.191 -15.153 30.247 1.00 0.00 N ATOM 1249 CA ASN B 27 103.680 -13.794 29.864 1.00 0.00 C ATOM 1250 C ASN B 27 102.531 -12.947 29.311 1.00 0.00 C ATOM 1251 O ASN B 27 102.646 -12.347 28.259 1.00 0.00 O ATOM 1252 CB ASN B 27 104.772 -13.928 28.800 1.00 0.00 C ATOM 1253 CG ASN B 27 105.974 -14.664 29.394 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.505 -15.573 28.788 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.427 -14.307 30.564 1.00 0.00 N ATOM 0 H ASN B 27 103.426 -15.444 31.196 1.00 0.00 H new ATOM 0 HA ASN B 27 104.083 -13.303 30.750 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.389 -14.472 27.937 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.074 -12.942 28.447 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.227 -14.791 30.970 1.00 0.00 H new ATOM 0 HD22 ASN B 27 105.981 -13.544 31.072 1.00 0.00 H new ATOM 1262 N LEU B 28 101.429 -12.887 30.016 1.00 0.00 N ATOM 1263 CA LEU B 28 100.257 -12.071 29.550 1.00 0.00 C ATOM 1264 C LEU B 28 99.989 -10.953 30.568 1.00 0.00 C ATOM 1265 O LEU B 28 100.292 -11.096 31.736 1.00 0.00 O ATOM 1266 CB LEU B 28 99.018 -12.974 29.475 1.00 0.00 C ATOM 1267 CG LEU B 28 99.047 -13.827 28.193 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.142 -15.054 28.367 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.533 -13.007 26.996 1.00 0.00 C ATOM 0 H LEU B 28 101.287 -13.371 30.902 1.00 0.00 H new ATOM 0 HA LEU B 28 100.471 -11.643 28.570 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.981 -13.623 30.350 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.115 -12.364 29.492 1.00 0.00 H new ATOM 0 HG LEU B 28 100.075 -14.140 28.010 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.165 -15.655 27.458 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.497 -15.652 29.206 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.120 -14.728 28.560 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.559 -13.622 26.096 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.509 -12.686 27.187 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.167 -12.132 26.856 1.00 0.00 H new ATOM 1281 N PRO B 29 99.407 -9.855 30.146 1.00 0.00 N ATOM 1282 CA PRO B 29 99.089 -8.732 31.070 1.00 0.00 C ATOM 1283 C PRO B 29 97.883 -9.080 31.964 1.00 0.00 C ATOM 1284 O PRO B 29 97.014 -9.827 31.559 1.00 0.00 O ATOM 1285 CB PRO B 29 98.756 -7.568 30.123 1.00 0.00 C ATOM 1286 CG PRO B 29 98.245 -8.222 28.878 1.00 0.00 C ATOM 1287 CD PRO B 29 98.992 -9.557 28.760 1.00 0.00 C ATOM 0 HA PRO B 29 99.906 -8.500 31.753 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.007 -6.906 30.558 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.637 -6.961 29.918 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.168 -8.382 28.936 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.428 -7.595 28.005 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.349 -10.340 28.358 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.851 -9.477 28.094 1.00 0.00 H new ATOM 1295 N PRO B 30 97.817 -8.553 33.164 1.00 0.00 N ATOM 1296 CA PRO B 30 96.684 -8.835 34.091 1.00 0.00 C ATOM 1297 C PRO B 30 95.326 -8.861 33.370 1.00 0.00 C ATOM 1298 O PRO B 30 94.363 -9.413 33.865 1.00 0.00 O ATOM 1299 CB PRO B 30 96.747 -7.666 35.079 1.00 0.00 C ATOM 1300 CG PRO B 30 98.197 -7.305 35.154 1.00 0.00 C ATOM 1301 CD PRO B 30 98.800 -7.634 33.778 1.00 0.00 C ATOM 0 HA PRO B 30 96.770 -9.816 34.558 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.147 -6.824 34.734 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.360 -7.953 36.057 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.322 -6.248 35.390 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.697 -7.869 35.942 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.935 -6.735 33.177 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.779 -8.103 33.874 1.00 0.00 H new ATOM 1309 N VAL B 31 95.234 -8.250 32.216 1.00 0.00 N ATOM 1310 CA VAL B 31 93.930 -8.223 31.486 1.00 0.00 C ATOM 1311 C VAL B 31 93.465 -9.651 31.169 1.00 0.00 C ATOM 1312 O VAL B 31 92.336 -10.015 31.424 1.00 0.00 O ATOM 1313 CB VAL B 31 94.101 -7.444 30.170 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.856 -7.609 29.284 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.309 -5.959 30.479 1.00 0.00 C ATOM 0 H VAL B 31 96.003 -7.770 31.749 1.00 0.00 H new ATOM 0 HA VAL B 31 93.183 -7.738 32.115 1.00 0.00 H new ATOM 0 HB VAL B 31 94.968 -7.837 29.639 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.993 -7.052 28.357 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.710 -8.665 29.055 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.981 -7.228 29.811 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.430 -5.407 29.547 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.443 -5.575 31.018 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.202 -5.837 31.092 1.00 0.00 H new ATOM 1325 N VAL B 32 94.315 -10.457 30.602 1.00 0.00 N ATOM 1326 CA VAL B 32 93.893 -11.845 30.259 1.00 0.00 C ATOM 1327 C VAL B 32 93.887 -12.725 31.509 1.00 0.00 C ATOM 1328 O VAL B 32 93.015 -13.549 31.690 1.00 0.00 O ATOM 1329 CB VAL B 32 94.852 -12.439 29.230 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.384 -13.847 28.857 1.00 0.00 C ATOM 1331 CG2 VAL B 32 94.885 -11.552 27.977 1.00 0.00 C ATOM 0 H VAL B 32 95.277 -10.219 30.362 1.00 0.00 H new ATOM 0 HA VAL B 32 92.886 -11.808 29.844 1.00 0.00 H new ATOM 0 HB VAL B 32 95.855 -12.490 29.654 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.066 -14.275 28.122 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.371 -14.474 29.748 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.381 -13.797 28.434 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.571 -11.980 27.246 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.885 -11.494 27.546 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.222 -10.552 28.248 1.00 0.00 H new ATOM 1341 N ALA B 33 94.856 -12.572 32.369 1.00 0.00 N ATOM 1342 CA ALA B 33 94.892 -13.425 33.588 1.00 0.00 C ATOM 1343 C ALA B 33 93.619 -13.192 34.396 1.00 0.00 C ATOM 1344 O ALA B 33 92.926 -14.122 34.763 1.00 0.00 O ATOM 1345 CB ALA B 33 96.119 -13.057 34.429 1.00 0.00 C ATOM 0 H ALA B 33 95.618 -11.899 32.281 1.00 0.00 H new ATOM 0 HA ALA B 33 94.955 -14.476 33.306 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.148 -13.680 35.323 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.024 -13.220 33.843 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.059 -12.008 34.720 1.00 0.00 H new ATOM 1351 N LYS B 34 93.285 -11.962 34.656 1.00 0.00 N ATOM 1352 CA LYS B 34 92.037 -11.680 35.414 1.00 0.00 C ATOM 1353 C LYS B 34 90.832 -12.225 34.645 1.00 0.00 C ATOM 1354 O LYS B 34 89.905 -12.759 35.220 1.00 0.00 O ATOM 1355 CB LYS B 34 91.882 -10.172 35.615 1.00 0.00 C ATOM 1356 CG LYS B 34 92.921 -9.689 36.628 1.00 0.00 C ATOM 1357 CD LYS B 34 92.777 -8.180 36.837 1.00 0.00 C ATOM 1358 CE LYS B 34 93.805 -7.705 37.869 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.965 -6.227 37.770 1.00 0.00 N ATOM 0 H LYS B 34 93.821 -11.140 34.377 1.00 0.00 H new ATOM 0 HA LYS B 34 92.092 -12.167 36.388 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.013 -9.652 34.666 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.877 -9.942 35.969 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.789 -10.211 37.576 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.925 -9.922 36.273 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.925 -7.656 35.893 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.769 -7.944 37.178 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.481 -7.980 38.873 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.762 -8.197 37.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.663 -5.906 38.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.292 -5.976 36.815 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.051 -5.766 37.955 1.00 0.00 H new ATOM 1373 N GLU B 35 90.836 -12.079 33.350 1.00 0.00 N ATOM 1374 CA GLU B 35 89.687 -12.570 32.538 1.00 0.00 C ATOM 1375 C GLU B 35 89.546 -14.088 32.687 1.00 0.00 C ATOM 1376 O GLU B 35 88.452 -14.607 32.780 1.00 0.00 O ATOM 1377 CB GLU B 35 89.929 -12.228 31.065 1.00 0.00 C ATOM 1378 CG GLU B 35 88.668 -12.527 30.244 1.00 0.00 C ATOM 1379 CD GLU B 35 88.550 -14.034 30.006 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.474 -14.601 29.448 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.537 -14.596 30.390 1.00 0.00 O ATOM 0 H GLU B 35 91.587 -11.640 32.817 1.00 0.00 H new ATOM 0 HA GLU B 35 88.772 -12.091 32.887 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.196 -11.176 30.966 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.769 -12.808 30.682 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.786 -12.162 30.770 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.711 -12.001 29.290 1.00 0.00 H new ATOM 1388 N ILE B 36 90.635 -14.807 32.709 1.00 0.00 N ATOM 1389 CA ILE B 36 90.531 -16.286 32.849 1.00 0.00 C ATOM 1390 C ILE B 36 89.830 -16.604 34.173 1.00 0.00 C ATOM 1391 O ILE B 36 88.976 -17.465 34.245 1.00 0.00 O ATOM 1392 CB ILE B 36 91.932 -16.902 32.822 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.524 -16.747 31.418 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.845 -18.390 33.161 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.011 -17.107 31.445 1.00 0.00 C ATOM 0 H ILE B 36 91.583 -14.438 32.637 1.00 0.00 H new ATOM 0 HA ILE B 36 89.954 -16.705 32.025 1.00 0.00 H new ATOM 0 HB ILE B 36 92.563 -16.396 33.552 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.996 -17.393 30.716 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.394 -15.723 31.069 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.844 -18.827 33.141 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.415 -18.512 34.155 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.214 -18.894 32.429 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.430 -16.996 30.445 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.534 -16.443 32.133 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.130 -18.139 31.776 1.00 0.00 H new ATOM 1407 N VAL B 37 90.160 -15.889 35.213 1.00 0.00 N ATOM 1408 CA VAL B 37 89.489 -16.116 36.525 1.00 0.00 C ATOM 1409 C VAL B 37 88.024 -15.697 36.382 1.00 0.00 C ATOM 1410 O VAL B 37 87.124 -16.329 36.899 1.00 0.00 O ATOM 1411 CB VAL B 37 90.167 -15.267 37.607 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.334 -15.304 38.892 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.567 -15.823 37.889 1.00 0.00 C ATOM 0 H VAL B 37 90.868 -15.155 35.211 1.00 0.00 H new ATOM 0 HA VAL B 37 89.559 -17.165 36.812 1.00 0.00 H new ATOM 0 HB VAL B 37 90.246 -14.237 37.260 1.00 0.00 H new ATOM 0 HG11 VAL B 37 89.820 -14.699 39.658 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.339 -14.906 38.692 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.250 -16.333 39.241 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.050 -15.220 38.658 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.486 -16.854 38.234 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.162 -15.791 36.976 1.00 0.00 H new ATOM 1423 N ALA B 38 87.793 -14.618 35.683 1.00 0.00 N ATOM 1424 CA ALA B 38 86.404 -14.114 35.492 1.00 0.00 C ATOM 1425 C ALA B 38 85.547 -15.175 34.791 1.00 0.00 C ATOM 1426 O ALA B 38 84.345 -15.213 34.956 1.00 0.00 O ATOM 1427 CB ALA B 38 86.445 -12.845 34.636 1.00 0.00 C ATOM 0 H ALA B 38 88.517 -14.059 35.231 1.00 0.00 H new ATOM 0 HA ALA B 38 85.965 -13.893 36.465 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.432 -12.470 34.492 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.044 -12.086 35.139 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.888 -13.074 33.667 1.00 0.00 H new ATOM 1433 N SER B 39 86.147 -16.034 34.009 1.00 0.00 N ATOM 1434 CA SER B 39 85.346 -17.083 33.303 1.00 0.00 C ATOM 1435 C SER B 39 85.356 -18.363 34.136 1.00 0.00 C ATOM 1436 O SER B 39 84.506 -19.218 33.988 1.00 0.00 O ATOM 1437 CB SER B 39 85.970 -17.363 31.935 1.00 0.00 C ATOM 1438 OG SER B 39 85.852 -16.204 31.120 1.00 0.00 O ATOM 0 H SER B 39 87.151 -16.057 33.828 1.00 0.00 H new ATOM 0 HA SER B 39 84.321 -16.737 33.171 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.019 -17.636 32.050 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.471 -18.208 31.461 1.00 0.00 H new ATOM 0 HG SER B 39 86.688 -15.694 31.153 1.00 0.00 H new ATOM 1444 N CYS B 40 86.299 -18.494 35.025 1.00 0.00 N ATOM 1445 CA CYS B 40 86.346 -19.709 35.881 1.00 0.00 C ATOM 1446 C CYS B 40 85.056 -19.790 36.699 1.00 0.00 C ATOM 1447 O CYS B 40 84.398 -18.800 36.938 1.00 0.00 O ATOM 1448 CB CYS B 40 87.551 -19.633 36.812 1.00 0.00 C ATOM 1449 SG CYS B 40 87.438 -20.955 38.043 1.00 0.00 S ATOM 0 H CYS B 40 87.039 -17.813 35.195 1.00 0.00 H new ATOM 0 HA CYS B 40 86.438 -20.599 35.258 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.474 -19.730 36.240 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.583 -18.662 37.306 1.00 0.00 H new ATOM 0 HG CYS B 40 88.351 -20.781 38.952 1.00 0.00 H new ATOM 1454 N ASP B 41 84.677 -20.965 37.107 1.00 0.00 N ATOM 1455 CA ASP B 41 83.416 -21.119 37.887 1.00 0.00 C ATOM 1456 C ASP B 41 83.622 -20.757 39.364 1.00 0.00 C ATOM 1457 O ASP B 41 83.084 -19.789 39.862 1.00 0.00 O ATOM 1458 CB ASP B 41 82.950 -22.570 37.791 1.00 0.00 C ATOM 1459 CG ASP B 41 82.503 -22.868 36.360 1.00 0.00 C ATOM 1460 OD1 ASP B 41 82.145 -21.932 35.665 1.00 0.00 O ATOM 1461 OD2 ASP B 41 82.528 -24.028 35.983 1.00 0.00 O ATOM 0 H ASP B 41 85.187 -21.831 36.934 1.00 0.00 H new ATOM 0 HA ASP B 41 82.669 -20.443 37.471 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.758 -23.242 38.078 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.127 -22.746 38.484 1.00 0.00 H new ATOM 1466 N LYS B 42 84.351 -21.572 40.073 1.00 0.00 N ATOM 1467 CA LYS B 42 84.559 -21.346 41.538 1.00 0.00 C ATOM 1468 C LYS B 42 85.456 -20.128 41.817 1.00 0.00 C ATOM 1469 O LYS B 42 85.256 -19.424 42.787 1.00 0.00 O ATOM 1470 CB LYS B 42 85.227 -22.592 42.133 1.00 0.00 C ATOM 1471 CG LYS B 42 84.346 -23.833 41.914 1.00 0.00 C ATOM 1472 CD LYS B 42 83.083 -23.767 42.783 1.00 0.00 C ATOM 1473 CE LYS B 42 82.444 -25.158 42.854 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.381 -26.103 43.523 1.00 0.00 N ATOM 0 H LYS B 42 84.819 -22.397 39.698 1.00 0.00 H new ATOM 0 HA LYS B 42 83.586 -21.156 41.991 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.202 -22.745 41.670 1.00 0.00 H new ATOM 0 HB3 LYS B 42 85.400 -22.445 43.199 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.066 -23.904 40.863 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.912 -24.733 42.155 1.00 0.00 H new ATOM 0 HD2 LYS B 42 83.335 -23.418 43.785 1.00 0.00 H new ATOM 0 HD3 LYS B 42 82.376 -23.051 42.364 1.00 0.00 H new ATOM 0 HE2 LYS B 42 81.504 -25.110 43.405 1.00 0.00 H new ATOM 0 HE3 LYS B 42 82.208 -25.513 41.851 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 82.867 -26.652 44.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.785 -26.750 42.816 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.147 -25.568 43.980 1.00 0.00 H new ATOM 1488 N CYS B 43 86.461 -19.890 41.020 1.00 0.00 N ATOM 1489 CA CYS B 43 87.370 -18.737 41.312 1.00 0.00 C ATOM 1490 C CYS B 43 86.689 -17.393 41.025 1.00 0.00 C ATOM 1491 O CYS B 43 87.061 -16.382 41.587 1.00 0.00 O ATOM 1492 CB CYS B 43 88.647 -18.854 40.476 1.00 0.00 C ATOM 1493 SG CYS B 43 89.523 -20.379 40.910 1.00 0.00 S ATOM 0 H CYS B 43 86.693 -20.434 40.189 1.00 0.00 H new ATOM 0 HA CYS B 43 87.618 -18.771 42.373 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.399 -18.855 39.414 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.289 -17.991 40.653 1.00 0.00 H new ATOM 0 HG CYS B 43 90.605 -20.476 40.196 1.00 0.00 H new ATOM 1498 N GLN B 44 85.712 -17.347 40.158 1.00 0.00 N ATOM 1499 CA GLN B 44 85.063 -16.032 39.872 1.00 0.00 C ATOM 1500 C GLN B 44 84.254 -15.574 41.094 1.00 0.00 C ATOM 1501 O GLN B 44 84.279 -14.416 41.461 1.00 0.00 O ATOM 1502 CB GLN B 44 84.141 -16.162 38.649 1.00 0.00 C ATOM 1503 CG GLN B 44 83.695 -14.769 38.154 1.00 0.00 C ATOM 1504 CD GLN B 44 82.431 -14.313 38.893 1.00 0.00 C ATOM 1505 OE1 GLN B 44 81.810 -15.080 39.603 1.00 0.00 O ATOM 1506 NE2 GLN B 44 82.024 -13.081 38.758 1.00 0.00 N ATOM 0 H GLN B 44 85.340 -18.146 39.644 1.00 0.00 H new ATOM 0 HA GLN B 44 85.833 -15.291 39.659 1.00 0.00 H new ATOM 0 HB2 GLN B 44 84.661 -16.689 37.849 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.267 -16.759 38.908 1.00 0.00 H new ATOM 0 HG2 GLN B 44 84.496 -14.047 38.313 1.00 0.00 H new ATOM 0 HG3 GLN B 44 83.504 -14.802 37.081 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.543 -12.435 38.163 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.187 -12.764 39.247 1.00 0.00 H new ATOM 1515 N LEU B 45 83.553 -16.470 41.740 1.00 0.00 N ATOM 1516 CA LEU B 45 82.767 -16.077 42.953 1.00 0.00 C ATOM 1517 C LEU B 45 83.656 -16.188 44.195 1.00 0.00 C ATOM 1518 O LEU B 45 84.510 -17.048 44.285 1.00 0.00 O ATOM 1519 CB LEU B 45 81.544 -16.990 43.122 1.00 0.00 C ATOM 1520 CG LEU B 45 80.463 -16.645 42.082 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.337 -17.682 42.172 1.00 0.00 C ATOM 1522 CD2 LEU B 45 79.890 -15.231 42.346 1.00 0.00 C ATOM 0 H LEU B 45 83.489 -17.455 41.483 1.00 0.00 H new ATOM 0 HA LEU B 45 82.426 -15.049 42.830 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.843 -18.032 43.011 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.137 -16.880 44.127 1.00 0.00 H new ATOM 0 HG LEU B 45 80.906 -16.659 41.086 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.566 -17.446 41.439 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.739 -18.674 41.969 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.904 -17.663 43.172 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.127 -15.003 41.602 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.447 -15.198 43.341 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.692 -14.495 42.281 1.00 0.00 H new