USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=26 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: B 12 CYS SG : rot 160:sc= 0 USER MOD Set 1.2: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 12 CYS SG : rot 160:sc= 0 USER MOD Set 2.2: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 155:sc= 0.949 (180deg=0.373) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= 0.795 (180deg=0.077) USER MOD Single : A 9 GLN : amide:sc= -0.0136 K(o=-0.014,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= -0.0454 (180deg=-0.418) USER MOD Single : A 15 TYR OH : rot -32:sc= 0.723 USER MOD Single : A 16 HIS :FLIP no HD1:sc= -2.11 F(o=-3.1!,f=-2.1) USER MOD Single : A 17 SER OG : rot -21:sc= 0.568 USER MOD Single : A 18 ASN : amide:sc= -0.0165 K(o=-0.017,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 157:sc= -0.284 (180deg=-1.74!) USER MOD Single : A 24 SER OG : rot 79:sc= 0.377 USER MOD Single : A 27 ASN : amide:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 68:sc= 0.00317 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= -0.0788 (180deg=-0.601) USER MOD Single : A 44 GLN : amide:sc= -2.72! X(o=-2.7!,f=-2.3) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 0.954 (180deg=0.439) USER MOD Single : B 7 LYS NZ :NH3+ -147:sc= 0.801 (180deg=0.126) USER MOD Single : B 9 GLN : amide:sc= -0.0531 K(o=-0.053,f=-2!) USER MOD Single : B 14 LYS NZ :NH3+ 164:sc= -0.0602 (180deg=-0.436) USER MOD Single : B 15 TYR OH : rot -32:sc= 0.754 USER MOD Single : B 16 HIS :FLIP no HD1:sc= -2.12 F(o=-3.2!,f=-2.1) USER MOD Single : B 17 SER OG : rot -20:sc= 0.521 USER MOD Single : B 18 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.8!) USER MOD Single : B 22 MET CE :methyl 157:sc= -0.248 (180deg=-1.68!) USER MOD Single : B 24 SER OG : rot 78:sc= 0.367 USER MOD Single : B 27 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 68:sc= 0.00123 USER MOD Single : B 42 LYS NZ :NH3+ -159:sc= -0.0804 (180deg=-0.677) USER MOD Single : B 44 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.660 -4.398 23.879 1.00 0.00 N ATOM 2 CA PHE A 1 95.294 -3.691 25.138 1.00 0.00 C ATOM 3 C PHE A 1 95.336 -2.185 24.893 1.00 0.00 C ATOM 4 O PHE A 1 96.388 -1.601 24.726 1.00 0.00 O ATOM 5 CB PHE A 1 96.283 -4.081 26.238 1.00 0.00 C ATOM 6 CG PHE A 1 96.535 -5.572 26.164 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.511 -6.471 26.490 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.785 -6.058 25.754 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.737 -7.852 26.409 1.00 0.00 C ATOM 10 CE2 PHE A 1 98.009 -7.440 25.672 1.00 0.00 C ATOM 11 CZ PHE A 1 96.984 -8.334 25.999 1.00 0.00 C ATOM 0 H1 PHE A 1 96.043 -5.338 24.107 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.815 -4.504 23.282 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.378 -3.846 23.367 1.00 0.00 H new ATOM 0 HA PHE A 1 94.289 -3.972 25.451 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.218 -3.534 26.116 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.883 -3.814 27.216 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.547 -6.100 26.804 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.576 -5.367 25.501 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.948 -8.544 26.663 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.972 -7.814 25.357 1.00 0.00 H new ATOM 0 HZ PHE A 1 97.156 -9.398 25.935 1.00 0.00 H new ATOM 23 N LEU A 2 94.188 -1.552 24.847 1.00 0.00 N ATOM 24 CA LEU A 2 94.144 -0.081 24.583 1.00 0.00 C ATOM 25 C LEU A 2 93.971 0.704 25.874 1.00 0.00 C ATOM 26 O LEU A 2 93.177 0.366 26.722 1.00 0.00 O ATOM 27 CB LEU A 2 92.968 0.245 23.657 1.00 0.00 C ATOM 28 CG LEU A 2 93.084 -0.539 22.345 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.892 -0.185 21.450 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.395 -0.181 21.624 1.00 0.00 C ATOM 0 H LEU A 2 93.278 -1.993 24.981 1.00 0.00 H new ATOM 0 HA LEU A 2 95.088 0.201 24.117 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.029 -0.001 24.152 1.00 0.00 H new ATOM 0 HB3 LEU A 2 92.948 1.315 23.448 1.00 0.00 H new ATOM 0 HG LEU A 2 93.086 -1.607 22.561 1.00 0.00 H new ATOM 0 HD11 LEU A 2 91.964 -0.737 20.513 1.00 0.00 H new ATOM 0 HD12 LEU A 2 90.965 -0.450 21.957 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.898 0.885 21.242 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.464 -0.745 20.694 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.409 0.886 21.403 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.242 -0.430 22.263 1.00 0.00 H new ATOM 42 N ASP A 3 94.693 1.780 26.003 1.00 0.00 N ATOM 43 CA ASP A 3 94.556 2.630 27.213 1.00 0.00 C ATOM 44 C ASP A 3 93.115 3.129 27.274 1.00 0.00 C ATOM 45 O ASP A 3 92.509 3.191 28.325 1.00 0.00 O ATOM 46 CB ASP A 3 95.518 3.817 27.129 1.00 0.00 C ATOM 47 CG ASP A 3 96.956 3.320 27.293 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.131 2.235 27.823 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.858 4.036 26.890 1.00 0.00 O ATOM 0 H ASP A 3 95.375 2.108 25.319 1.00 0.00 H new ATOM 0 HA ASP A 3 94.797 2.058 28.109 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.404 4.324 26.171 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.283 4.545 27.905 1.00 0.00 H new ATOM 54 N GLY A 4 92.558 3.472 26.141 1.00 0.00 N ATOM 55 CA GLY A 4 91.146 3.955 26.108 1.00 0.00 C ATOM 56 C GLY A 4 90.274 3.007 26.934 1.00 0.00 C ATOM 57 O GLY A 4 89.153 3.320 27.283 1.00 0.00 O ATOM 0 H GLY A 4 93.023 3.438 25.234 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.085 4.967 26.508 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.787 3.997 25.080 1.00 0.00 H new ATOM 61 N ILE A 5 90.793 1.856 27.269 1.00 0.00 N ATOM 62 CA ILE A 5 90.013 0.896 28.091 1.00 0.00 C ATOM 63 C ILE A 5 89.650 1.588 29.406 1.00 0.00 C ATOM 64 O ILE A 5 88.612 1.340 29.984 1.00 0.00 O ATOM 65 CB ILE A 5 90.862 -0.363 28.341 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.871 -1.221 27.072 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.275 -1.176 29.502 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.952 -2.300 27.187 1.00 0.00 C ATOM 0 H ILE A 5 91.727 1.542 27.006 1.00 0.00 H new ATOM 0 HA ILE A 5 89.099 0.591 27.581 1.00 0.00 H new ATOM 0 HB ILE A 5 91.879 -0.065 28.597 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.895 -1.684 26.928 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.059 -0.595 26.200 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.884 -2.064 29.669 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.267 -0.566 30.406 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.256 -1.476 29.258 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.956 -2.909 26.283 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.926 -1.827 27.310 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.744 -2.933 28.050 1.00 0.00 H new ATOM 80 N ASP A 6 90.489 2.476 29.868 1.00 0.00 N ATOM 81 CA ASP A 6 90.173 3.208 31.125 1.00 0.00 C ATOM 82 C ASP A 6 88.866 3.970 30.909 1.00 0.00 C ATOM 83 O ASP A 6 88.012 4.024 31.771 1.00 0.00 O ATOM 84 CB ASP A 6 91.305 4.189 31.446 1.00 0.00 C ATOM 85 CG ASP A 6 90.987 4.944 32.740 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.826 4.988 33.112 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.913 5.470 33.337 1.00 0.00 O ATOM 0 H ASP A 6 91.376 2.724 29.430 1.00 0.00 H new ATOM 0 HA ASP A 6 90.070 2.513 31.958 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.247 3.650 31.551 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.431 4.894 30.624 1.00 0.00 H new ATOM 92 N LYS A 7 88.699 4.541 29.748 1.00 0.00 N ATOM 93 CA LYS A 7 87.443 5.284 29.447 1.00 0.00 C ATOM 94 C LYS A 7 86.270 4.298 29.440 1.00 0.00 C ATOM 95 O LYS A 7 85.181 4.609 29.878 1.00 0.00 O ATOM 96 CB LYS A 7 87.565 5.952 28.070 1.00 0.00 C ATOM 97 CG LYS A 7 86.284 6.730 27.724 1.00 0.00 C ATOM 98 CD LYS A 7 86.030 7.842 28.751 1.00 0.00 C ATOM 99 CE LYS A 7 85.080 8.884 28.154 1.00 0.00 C ATOM 100 NZ LYS A 7 84.739 9.897 29.192 1.00 0.00 N ATOM 0 H LYS A 7 89.382 4.525 28.991 1.00 0.00 H new ATOM 0 HA LYS A 7 87.273 6.049 30.204 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.420 6.629 28.064 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.752 5.195 27.309 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.373 7.162 26.727 1.00 0.00 H new ATOM 0 HG3 LYS A 7 85.434 6.048 27.701 1.00 0.00 H new ATOM 0 HD2 LYS A 7 85.600 7.421 29.659 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.972 8.313 29.033 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.547 9.369 27.297 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.173 8.400 27.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 83.761 10.221 29.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.831 9.471 30.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.387 10.707 29.113 1.00 0.00 H new ATOM 114 N ALA A 8 86.488 3.112 28.938 1.00 0.00 N ATOM 115 CA ALA A 8 85.392 2.102 28.891 1.00 0.00 C ATOM 116 C ALA A 8 84.896 1.821 30.311 1.00 0.00 C ATOM 117 O ALA A 8 83.720 1.622 30.541 1.00 0.00 O ATOM 118 CB ALA A 8 85.923 0.806 28.275 1.00 0.00 C ATOM 0 H ALA A 8 87.381 2.799 28.557 1.00 0.00 H new ATOM 0 HA ALA A 8 84.570 2.485 28.287 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.124 0.066 28.239 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.280 1.003 27.264 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.744 0.424 28.882 1.00 0.00 H new ATOM 124 N GLN A 9 85.785 1.800 31.264 1.00 0.00 N ATOM 125 CA GLN A 9 85.371 1.532 32.671 1.00 0.00 C ATOM 126 C GLN A 9 84.377 2.605 33.120 1.00 0.00 C ATOM 127 O GLN A 9 83.413 2.333 33.806 1.00 0.00 O ATOM 128 CB GLN A 9 86.603 1.585 33.574 1.00 0.00 C ATOM 129 CG GLN A 9 87.498 0.377 33.291 1.00 0.00 C ATOM 130 CD GLN A 9 88.834 0.555 34.012 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.200 1.654 34.377 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.587 -0.488 34.231 1.00 0.00 N ATOM 0 H GLN A 9 86.784 1.957 31.130 1.00 0.00 H new ATOM 0 HA GLN A 9 84.905 0.549 32.735 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.155 2.508 33.399 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.299 1.588 34.621 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.010 -0.538 33.627 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.662 0.275 32.218 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.281 -1.412 33.925 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.482 -0.380 34.708 1.00 0.00 H new ATOM 141 N GLU A 10 84.620 3.827 32.739 1.00 0.00 N ATOM 142 CA GLU A 10 83.716 4.939 33.138 1.00 0.00 C ATOM 143 C GLU A 10 82.304 4.675 32.606 1.00 0.00 C ATOM 144 O GLU A 10 81.321 4.948 33.266 1.00 0.00 O ATOM 145 CB GLU A 10 84.252 6.248 32.552 1.00 0.00 C ATOM 146 CG GLU A 10 83.377 7.419 33.002 1.00 0.00 C ATOM 147 CD GLU A 10 83.956 8.723 32.447 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.023 8.670 31.858 1.00 0.00 O ATOM 149 OE2 GLU A 10 83.324 9.753 32.626 1.00 0.00 O ATOM 0 H GLU A 10 85.414 4.105 32.163 1.00 0.00 H new ATOM 0 HA GLU A 10 83.677 5.010 34.225 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.281 6.407 32.875 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.265 6.190 31.464 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.355 7.282 32.649 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.335 7.460 34.090 1.00 0.00 H new ATOM 156 N GLU A 11 82.195 4.164 31.409 1.00 0.00 N ATOM 157 CA GLU A 11 80.846 3.902 30.818 1.00 0.00 C ATOM 158 C GLU A 11 80.406 2.459 31.092 1.00 0.00 C ATOM 159 O GLU A 11 79.358 2.033 30.647 1.00 0.00 O ATOM 160 CB GLU A 11 80.911 4.130 29.308 1.00 0.00 C ATOM 161 CG GLU A 11 81.123 5.619 29.027 1.00 0.00 C ATOM 162 CD GLU A 11 79.861 6.399 29.404 1.00 0.00 C ATOM 163 OE1 GLU A 11 78.786 5.970 29.022 1.00 0.00 O ATOM 164 OE2 GLU A 11 79.994 7.414 30.068 1.00 0.00 O ATOM 0 H GLU A 11 82.983 3.915 30.811 1.00 0.00 H new ATOM 0 HA GLU A 11 80.124 4.580 31.273 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.725 3.548 28.876 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.989 3.788 28.837 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.975 5.989 29.597 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.355 5.771 27.973 1.00 0.00 H new ATOM 171 N CYS A 12 81.182 1.698 31.816 1.00 0.00 N ATOM 172 CA CYS A 12 80.773 0.291 32.103 1.00 0.00 C ATOM 173 C CYS A 12 79.332 0.285 32.624 1.00 0.00 C ATOM 174 O CYS A 12 78.501 -0.482 32.182 1.00 0.00 O ATOM 175 CB CYS A 12 81.702 -0.311 33.159 1.00 0.00 C ATOM 176 SG CYS A 12 81.215 -2.023 33.488 1.00 0.00 S ATOM 0 H CYS A 12 82.074 1.985 32.218 1.00 0.00 H new ATOM 0 HA CYS A 12 80.837 -0.302 31.191 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.735 -0.276 32.812 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.654 0.275 34.077 1.00 0.00 H new ATOM 0 HG CYS A 12 82.209 -2.660 34.032 1.00 0.00 H new ATOM 181 N GLU A 13 79.035 1.147 33.556 1.00 0.00 N ATOM 182 CA GLU A 13 77.653 1.215 34.108 1.00 0.00 C ATOM 183 C GLU A 13 76.669 1.548 32.980 1.00 0.00 C ATOM 184 O GLU A 13 75.573 1.026 32.925 1.00 0.00 O ATOM 185 CB GLU A 13 77.592 2.290 35.196 1.00 0.00 C ATOM 186 CG GLU A 13 76.181 2.350 35.784 1.00 0.00 C ATOM 187 CD GLU A 13 76.153 3.350 36.941 1.00 0.00 C ATOM 188 OE1 GLU A 13 77.217 3.789 37.344 1.00 0.00 O ATOM 189 OE2 GLU A 13 75.068 3.656 37.408 1.00 0.00 O ATOM 0 H GLU A 13 79.694 1.811 33.962 1.00 0.00 H new ATOM 0 HA GLU A 13 77.382 0.253 34.543 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.314 2.067 35.981 1.00 0.00 H new ATOM 0 HB3 GLU A 13 77.864 3.259 34.778 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.467 2.647 35.015 1.00 0.00 H new ATOM 0 HG3 GLU A 13 75.879 1.363 36.135 1.00 0.00 H new ATOM 196 N LYS A 14 77.050 2.422 32.086 1.00 0.00 N ATOM 197 CA LYS A 14 76.138 2.799 30.964 1.00 0.00 C ATOM 198 C LYS A 14 75.802 1.561 30.132 1.00 0.00 C ATOM 199 O LYS A 14 74.680 1.381 29.701 1.00 0.00 O ATOM 200 CB LYS A 14 76.816 3.851 30.074 1.00 0.00 C ATOM 201 CG LYS A 14 75.855 4.305 28.941 1.00 0.00 C ATOM 202 CD LYS A 14 76.228 3.629 27.614 1.00 0.00 C ATOM 203 CE LYS A 14 75.162 3.941 26.561 1.00 0.00 C ATOM 204 NZ LYS A 14 75.058 5.416 26.377 1.00 0.00 N ATOM 0 H LYS A 14 77.955 2.892 32.084 1.00 0.00 H new ATOM 0 HA LYS A 14 75.219 3.215 31.376 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.110 4.711 30.676 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.728 3.438 29.642 1.00 0.00 H new ATOM 0 HG2 LYS A 14 74.828 4.056 29.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.902 5.388 28.829 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.202 3.982 27.276 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.311 2.551 27.754 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.420 3.464 25.616 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.200 3.534 26.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.505 5.621 25.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.586 5.836 27.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 76.011 5.822 26.279 1.00 0.00 H new ATOM 218 N TYR A 15 76.760 0.703 29.898 1.00 0.00 N ATOM 219 CA TYR A 15 76.478 -0.521 29.092 1.00 0.00 C ATOM 220 C TYR A 15 75.899 -1.596 30.013 1.00 0.00 C ATOM 221 O TYR A 15 75.359 -2.587 29.565 1.00 0.00 O ATOM 222 CB TYR A 15 77.775 -1.039 28.465 1.00 0.00 C ATOM 223 CG TYR A 15 78.290 -0.040 27.455 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.669 0.077 26.203 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.390 0.769 27.767 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.149 1.003 25.268 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.868 1.694 26.831 1.00 0.00 C ATOM 228 CZ TYR A 15 79.247 1.810 25.583 1.00 0.00 C ATOM 229 OH TYR A 15 79.721 2.723 24.661 1.00 0.00 O ATOM 0 H TYR A 15 77.721 0.796 30.228 1.00 0.00 H new ATOM 0 HA TYR A 15 75.768 -0.282 28.301 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.523 -1.205 29.240 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.598 -2.000 27.982 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.821 -0.546 25.960 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.870 0.679 28.730 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.671 1.094 24.304 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.716 2.318 27.072 1.00 0.00 H new ATOM 0 HH TYR A 15 79.581 2.376 23.755 1.00 0.00 H new ATOM 239 N HIS A 16 76.002 -1.398 31.300 1.00 0.00 N ATOM 240 CA HIS A 16 75.448 -2.394 32.262 1.00 0.00 C ATOM 241 C HIS A 16 76.093 -3.763 32.032 1.00 0.00 C ATOM 242 O HIS A 16 77.295 -3.882 31.894 1.00 0.00 O ATOM 243 CB HIS A 16 73.932 -2.502 32.074 1.00 0.00 C ATOM 244 CG HIS A 16 73.339 -1.125 31.974 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.072 -0.170 32.925 1.00 0.00 N flip ATOM 246 CD2 HIS A 16 72.941 -0.577 30.763 1.00 0.00 C flip ATOM 247 CE1 HIS A 16 72.519 0.949 32.314 1.00 0.00 C flip ATOM 248 NE2 HIS A 16 72.462 0.655 31.013 1.00 0.00 N flip ATOM 0 H HIS A 16 76.448 -0.586 31.728 1.00 0.00 H new ATOM 0 HA HIS A 16 75.666 -2.065 33.278 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.707 -3.073 31.173 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.489 -3.040 32.912 1.00 0.00 H new ATOM 0 HD2 HIS A 16 73.004 -1.053 29.796 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.202 1.864 32.791 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.100 1.286 30.298 1.00 0.00 H new ATOM 257 N SER A 17 75.297 -4.797 32.004 1.00 0.00 N ATOM 258 CA SER A 17 75.842 -6.169 31.799 1.00 0.00 C ATOM 259 C SER A 17 76.054 -6.438 30.306 1.00 0.00 C ATOM 260 O SER A 17 76.610 -7.449 29.927 1.00 0.00 O ATOM 261 CB SER A 17 74.850 -7.190 32.356 1.00 0.00 C ATOM 262 OG SER A 17 75.340 -8.503 32.111 1.00 0.00 O ATOM 0 H SER A 17 74.284 -4.749 32.115 1.00 0.00 H new ATOM 0 HA SER A 17 76.798 -6.253 32.315 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.713 -7.034 33.426 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.875 -7.060 31.887 1.00 0.00 H new ATOM 0 HG SER A 17 75.987 -8.479 31.375 1.00 0.00 H new ATOM 268 N ASN A 18 75.610 -5.555 29.454 1.00 0.00 N ATOM 269 CA ASN A 18 75.784 -5.791 27.991 1.00 0.00 C ATOM 270 C ASN A 18 77.210 -5.429 27.574 1.00 0.00 C ATOM 271 O ASN A 18 77.454 -4.395 26.986 1.00 0.00 O ATOM 272 CB ASN A 18 74.796 -4.916 27.217 1.00 0.00 C ATOM 273 CG ASN A 18 73.375 -5.434 27.434 1.00 0.00 C ATOM 274 OD1 ASN A 18 73.180 -6.580 27.791 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.367 -4.632 27.234 1.00 0.00 N ATOM 0 H ASN A 18 75.138 -4.686 29.704 1.00 0.00 H new ATOM 0 HA ASN A 18 75.599 -6.842 27.771 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.872 -3.881 27.551 1.00 0.00 H new ATOM 0 HB3 ASN A 18 75.040 -4.927 26.155 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.414 -4.966 27.377 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.532 -3.671 26.935 1.00 0.00 H new ATOM 282 N TRP A 19 78.155 -6.281 27.870 1.00 0.00 N ATOM 283 CA TRP A 19 79.566 -5.996 27.486 1.00 0.00 C ATOM 284 C TRP A 19 79.723 -6.105 25.967 1.00 0.00 C ATOM 285 O TRP A 19 80.581 -5.479 25.377 1.00 0.00 O ATOM 286 CB TRP A 19 80.497 -6.998 28.173 1.00 0.00 C ATOM 287 CG TRP A 19 80.032 -8.391 27.889 1.00 0.00 C ATOM 288 CD1 TRP A 19 79.179 -9.093 28.669 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.366 -9.257 26.763 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.973 -10.335 28.100 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.679 -10.483 26.924 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.187 -9.100 25.630 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.802 -11.518 25.997 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.311 -10.141 24.694 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.619 -11.348 24.879 1.00 0.00 C ATOM 0 H TRP A 19 78.009 -7.163 28.362 1.00 0.00 H new ATOM 0 HA TRP A 19 79.826 -4.985 27.801 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.518 -6.865 27.816 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.509 -6.820 29.248 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.732 -8.740 29.587 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.372 -11.055 28.501 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.724 -8.175 25.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.268 -12.445 26.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.942 -10.011 23.827 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.719 -12.144 24.156 1.00 0.00 H new ATOM 306 N ARG A 20 78.903 -6.894 25.324 1.00 0.00 N ATOM 307 CA ARG A 20 79.018 -7.036 23.845 1.00 0.00 C ATOM 308 C ARG A 20 78.816 -5.675 23.176 1.00 0.00 C ATOM 309 O ARG A 20 79.498 -5.333 22.232 1.00 0.00 O ATOM 310 CB ARG A 20 77.957 -8.014 23.335 1.00 0.00 C ATOM 311 CG ARG A 20 78.358 -9.445 23.704 1.00 0.00 C ATOM 312 CD ARG A 20 77.191 -10.391 23.420 1.00 0.00 C ATOM 313 NE ARG A 20 77.661 -11.815 23.499 1.00 0.00 N ATOM 314 CZ ARG A 20 78.536 -12.302 22.660 1.00 0.00 C ATOM 315 NH1 ARG A 20 78.990 -11.570 21.678 1.00 0.00 N ATOM 316 NH2 ARG A 20 78.941 -13.537 22.789 1.00 0.00 N ATOM 0 H ARG A 20 78.162 -7.444 25.758 1.00 0.00 H new ATOM 0 HA ARG A 20 80.010 -7.416 23.601 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.987 -7.774 23.770 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.853 -7.922 22.254 1.00 0.00 H new ATOM 0 HG2 ARG A 20 79.234 -9.748 23.130 1.00 0.00 H new ATOM 0 HG3 ARG A 20 78.634 -9.497 24.757 1.00 0.00 H new ATOM 0 HD2 ARG A 20 76.390 -10.222 24.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.779 -10.189 22.431 1.00 0.00 H new ATOM 0 HE ARG A 20 77.286 -12.420 24.229 1.00 0.00 H new ATOM 0 HH11 ARG A 20 78.661 -10.611 21.562 1.00 0.00 H new ATOM 0 HH12 ARG A 20 79.673 -11.957 21.027 1.00 0.00 H new ATOM 0 HH21 ARG A 20 78.574 -14.118 23.543 1.00 0.00 H new ATOM 0 HH22 ARG A 20 79.624 -13.921 22.136 1.00 0.00 H new ATOM 330 N ALA A 21 77.892 -4.892 23.660 1.00 0.00 N ATOM 331 CA ALA A 21 77.665 -3.556 23.047 1.00 0.00 C ATOM 332 C ALA A 21 78.925 -2.706 23.235 1.00 0.00 C ATOM 333 O ALA A 21 79.421 -2.097 22.308 1.00 0.00 O ATOM 334 CB ALA A 21 76.471 -2.880 23.729 1.00 0.00 C ATOM 0 H ALA A 21 77.288 -5.119 24.450 1.00 0.00 H new ATOM 0 HA ALA A 21 77.452 -3.662 21.983 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.303 -1.901 23.281 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.581 -3.496 23.599 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.678 -2.762 24.793 1.00 0.00 H new ATOM 340 N MET A 22 79.454 -2.675 24.429 1.00 0.00 N ATOM 341 CA MET A 22 80.692 -1.885 24.683 1.00 0.00 C ATOM 342 C MET A 22 81.834 -2.448 23.832 1.00 0.00 C ATOM 343 O MET A 22 82.586 -1.716 23.221 1.00 0.00 O ATOM 344 CB MET A 22 81.052 -1.985 26.168 1.00 0.00 C ATOM 345 CG MET A 22 82.217 -1.046 26.484 1.00 0.00 C ATOM 346 SD MET A 22 82.540 -1.060 28.268 1.00 0.00 S ATOM 347 CE MET A 22 82.976 -2.811 28.422 1.00 0.00 C ATOM 0 H MET A 22 79.080 -3.165 25.242 1.00 0.00 H new ATOM 0 HA MET A 22 80.529 -0.840 24.419 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.188 -1.725 26.779 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.322 -3.011 26.418 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.108 -1.359 25.940 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.982 -0.034 26.154 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.588 -2.957 29.312 1.00 0.00 H new ATOM 0 HE2 MET A 22 82.067 -3.406 28.505 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.536 -3.125 27.541 1.00 0.00 H new ATOM 357 N ALA A 23 81.965 -3.744 23.780 1.00 0.00 N ATOM 358 CA ALA A 23 83.055 -4.354 22.965 1.00 0.00 C ATOM 359 C ALA A 23 82.899 -3.924 21.505 1.00 0.00 C ATOM 360 O ALA A 23 83.862 -3.641 20.823 1.00 0.00 O ATOM 361 CB ALA A 23 82.959 -5.878 23.058 1.00 0.00 C ATOM 0 H ALA A 23 81.364 -4.409 24.267 1.00 0.00 H new ATOM 0 HA ALA A 23 84.023 -4.023 23.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.754 -6.330 22.464 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.064 -6.186 24.098 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.991 -6.205 22.678 1.00 0.00 H new ATOM 367 N SER A 24 81.689 -3.878 21.022 1.00 0.00 N ATOM 368 CA SER A 24 81.462 -3.471 19.608 1.00 0.00 C ATOM 369 C SER A 24 81.872 -2.007 19.414 1.00 0.00 C ATOM 370 O SER A 24 82.418 -1.639 18.391 1.00 0.00 O ATOM 371 CB SER A 24 79.985 -3.651 19.255 1.00 0.00 C ATOM 372 OG SER A 24 79.672 -5.039 19.242 1.00 0.00 O ATOM 0 H SER A 24 80.845 -4.106 21.548 1.00 0.00 H new ATOM 0 HA SER A 24 82.067 -4.096 18.951 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.359 -3.132 19.981 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.775 -3.210 18.281 1.00 0.00 H new ATOM 0 HG SER A 24 79.553 -5.356 20.162 1.00 0.00 H new ATOM 378 N ASP A 25 81.603 -1.166 20.377 1.00 0.00 N ATOM 379 CA ASP A 25 81.969 0.276 20.231 1.00 0.00 C ATOM 380 C ASP A 25 83.486 0.456 20.284 1.00 0.00 C ATOM 381 O ASP A 25 84.051 1.235 19.542 1.00 0.00 O ATOM 382 CB ASP A 25 81.343 1.076 21.374 1.00 0.00 C ATOM 383 CG ASP A 25 79.827 1.143 21.185 1.00 0.00 C ATOM 384 OD1 ASP A 25 79.382 0.969 20.064 1.00 0.00 O ATOM 385 OD2 ASP A 25 79.139 1.377 22.165 1.00 0.00 O ATOM 0 H ASP A 25 81.147 -1.412 21.256 1.00 0.00 H new ATOM 0 HA ASP A 25 81.599 0.630 19.269 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.580 0.609 22.330 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.761 2.082 21.398 1.00 0.00 H new ATOM 390 N PHE A 26 84.154 -0.257 21.147 1.00 0.00 N ATOM 391 CA PHE A 26 85.640 -0.121 21.238 1.00 0.00 C ATOM 392 C PHE A 26 86.297 -1.167 20.334 1.00 0.00 C ATOM 393 O PHE A 26 87.504 -1.226 20.208 1.00 0.00 O ATOM 394 CB PHE A 26 86.087 -0.330 22.686 1.00 0.00 C ATOM 395 CG PHE A 26 85.710 0.877 23.518 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.434 0.971 24.094 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.645 1.901 23.722 1.00 0.00 C ATOM 398 CE1 PHE A 26 84.096 2.088 24.869 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.305 3.016 24.496 1.00 0.00 C ATOM 400 CZ PHE A 26 85.032 3.110 25.069 1.00 0.00 C ATOM 0 H PHE A 26 83.739 -0.928 21.794 1.00 0.00 H new ATOM 0 HA PHE A 26 85.938 0.876 20.915 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.619 -1.226 23.095 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.165 -0.487 22.724 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.712 0.182 23.940 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.628 1.829 23.282 1.00 0.00 H new ATOM 0 HE1 PHE A 26 83.114 2.161 25.312 1.00 0.00 H new ATOM 0 HE2 PHE A 26 87.026 3.805 24.651 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.771 3.971 25.666 1.00 0.00 H new ATOM 410 N ASN A 27 85.503 -1.978 19.689 1.00 0.00 N ATOM 411 CA ASN A 27 86.059 -3.013 18.770 1.00 0.00 C ATOM 412 C ASN A 27 87.111 -3.865 19.486 1.00 0.00 C ATOM 413 O ASN A 27 88.188 -4.089 18.969 1.00 0.00 O ATOM 414 CB ASN A 27 86.699 -2.327 17.561 1.00 0.00 C ATOM 415 CG ASN A 27 85.636 -1.523 16.811 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.830 -0.359 16.521 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.512 -2.099 16.482 1.00 0.00 N ATOM 0 H ASN A 27 84.486 -1.968 19.760 1.00 0.00 H new ATOM 0 HA ASN A 27 85.247 -3.663 18.444 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.505 -1.670 17.887 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.142 -3.071 16.899 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.796 -1.572 15.981 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.349 -3.076 16.725 1.00 0.00 H new ATOM 424 N LEU A 28 86.802 -4.358 20.664 1.00 0.00 N ATOM 425 CA LEU A 28 87.778 -5.219 21.415 1.00 0.00 C ATOM 426 C LEU A 28 87.166 -6.615 21.597 1.00 0.00 C ATOM 427 O LEU A 28 85.961 -6.758 21.646 1.00 0.00 O ATOM 428 CB LEU A 28 88.043 -4.597 22.791 1.00 0.00 C ATOM 429 CG LEU A 28 88.899 -3.325 22.640 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.742 -2.450 23.886 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.385 -3.691 22.481 1.00 0.00 C ATOM 0 H LEU A 28 85.914 -4.201 21.140 1.00 0.00 H new ATOM 0 HA LEU A 28 88.715 -5.293 20.863 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.098 -4.354 23.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.555 -5.315 23.431 1.00 0.00 H new ATOM 0 HG LEU A 28 88.562 -2.786 21.754 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.348 -1.551 23.778 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.695 -2.170 24.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.071 -3.005 24.764 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.975 -2.780 22.376 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.720 -4.241 23.360 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.514 -4.311 21.594 1.00 0.00 H new ATOM 443 N PRO A 29 87.979 -7.645 21.687 1.00 0.00 N ATOM 444 CA PRO A 29 87.472 -9.040 21.854 1.00 0.00 C ATOM 445 C PRO A 29 86.901 -9.285 23.266 1.00 0.00 C ATOM 446 O PRO A 29 87.308 -8.645 24.215 1.00 0.00 O ATOM 447 CB PRO A 29 88.714 -9.906 21.602 1.00 0.00 C ATOM 448 CG PRO A 29 89.865 -9.040 21.996 1.00 0.00 C ATOM 449 CD PRO A 29 89.455 -7.607 21.643 1.00 0.00 C ATOM 0 HA PRO A 29 86.648 -9.263 21.177 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.686 -10.821 22.194 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.783 -10.205 20.556 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.077 -9.134 23.061 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.771 -9.329 21.463 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.859 -6.888 22.356 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.819 -7.317 20.657 1.00 0.00 H new ATOM 457 N PRO A 30 85.970 -10.205 23.410 1.00 0.00 N ATOM 458 CA PRO A 30 85.356 -10.523 24.733 1.00 0.00 C ATOM 459 C PRO A 30 86.383 -10.567 25.878 1.00 0.00 C ATOM 460 O PRO A 30 86.043 -10.387 27.030 1.00 0.00 O ATOM 461 CB PRO A 30 84.738 -11.909 24.518 1.00 0.00 C ATOM 462 CG PRO A 30 84.409 -11.974 23.058 1.00 0.00 C ATOM 463 CD PRO A 30 85.394 -11.040 22.335 1.00 0.00 C ATOM 0 HA PRO A 30 84.639 -9.759 25.033 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.435 -12.698 24.799 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.845 -12.040 25.129 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.502 -12.995 22.687 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.380 -11.662 22.880 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.167 -11.605 21.814 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.887 -10.430 21.588 1.00 0.00 H new ATOM 471 N VAL A 31 87.626 -10.827 25.577 1.00 0.00 N ATOM 472 CA VAL A 31 88.651 -10.903 26.662 1.00 0.00 C ATOM 473 C VAL A 31 88.727 -9.572 27.412 1.00 0.00 C ATOM 474 O VAL A 31 88.680 -9.530 28.624 1.00 0.00 O ATOM 475 CB VAL A 31 90.017 -11.225 26.045 1.00 0.00 C ATOM 476 CG1 VAL A 31 91.124 -11.066 27.099 1.00 0.00 C ATOM 477 CG2 VAL A 31 90.008 -12.668 25.534 1.00 0.00 C ATOM 0 H VAL A 31 87.977 -10.990 24.633 1.00 0.00 H new ATOM 0 HA VAL A 31 88.370 -11.687 27.365 1.00 0.00 H new ATOM 0 HB VAL A 31 90.210 -10.538 25.221 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.090 -11.297 26.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.131 -10.040 27.467 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.937 -11.748 27.929 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.977 -12.904 25.094 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.812 -13.347 26.364 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.229 -12.782 24.780 1.00 0.00 H new ATOM 487 N VAL A 32 88.850 -8.482 26.710 1.00 0.00 N ATOM 488 CA VAL A 32 88.932 -7.170 27.405 1.00 0.00 C ATOM 489 C VAL A 32 87.541 -6.757 27.889 1.00 0.00 C ATOM 490 O VAL A 32 87.382 -6.242 28.976 1.00 0.00 O ATOM 491 CB VAL A 32 89.472 -6.111 26.450 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.541 -4.764 27.170 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.872 -6.514 25.985 1.00 0.00 C ATOM 0 H VAL A 32 88.897 -8.443 25.692 1.00 0.00 H new ATOM 0 HA VAL A 32 89.603 -7.260 28.259 1.00 0.00 H new ATOM 0 HB VAL A 32 88.812 -6.027 25.587 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.927 -4.006 26.488 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.543 -4.478 27.503 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.202 -4.846 28.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.260 -5.758 25.302 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.532 -6.596 26.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.823 -7.475 25.473 1.00 0.00 H new ATOM 503 N ALA A 33 86.534 -6.972 27.088 1.00 0.00 N ATOM 504 CA ALA A 33 85.161 -6.579 27.506 1.00 0.00 C ATOM 505 C ALA A 33 84.784 -7.329 28.788 1.00 0.00 C ATOM 506 O ALA A 33 84.389 -6.735 29.771 1.00 0.00 O ATOM 507 CB ALA A 33 84.177 -6.916 26.379 1.00 0.00 C ATOM 0 H ALA A 33 86.603 -7.401 26.165 1.00 0.00 H new ATOM 0 HA ALA A 33 85.122 -5.508 27.703 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.169 -6.630 26.679 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.456 -6.370 25.477 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.206 -7.987 26.179 1.00 0.00 H new ATOM 513 N LYS A 34 84.925 -8.623 28.795 1.00 0.00 N ATOM 514 CA LYS A 34 84.594 -9.397 30.024 1.00 0.00 C ATOM 515 C LYS A 34 85.477 -8.921 31.182 1.00 0.00 C ATOM 516 O LYS A 34 85.036 -8.815 32.309 1.00 0.00 O ATOM 517 CB LYS A 34 84.812 -10.895 29.782 1.00 0.00 C ATOM 518 CG LYS A 34 83.693 -11.440 28.886 1.00 0.00 C ATOM 519 CD LYS A 34 83.907 -12.937 28.642 1.00 0.00 C ATOM 520 CE LYS A 34 82.763 -13.486 27.785 1.00 0.00 C ATOM 521 NZ LYS A 34 83.081 -14.877 27.354 1.00 0.00 N ATOM 0 H LYS A 34 85.254 -9.179 28.005 1.00 0.00 H new ATOM 0 HA LYS A 34 83.546 -9.233 30.277 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.781 -11.060 29.312 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.824 -11.429 30.732 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.724 -11.274 29.357 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.682 -10.905 27.936 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.861 -13.101 28.141 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.950 -13.468 29.593 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.833 -13.475 28.353 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.612 -12.850 26.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.302 -15.247 26.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.959 -14.876 26.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 83.204 -15.481 28.192 1.00 0.00 H new ATOM 535 N GLU A 35 86.725 -8.649 30.915 1.00 0.00 N ATOM 536 CA GLU A 35 87.644 -8.195 32.003 1.00 0.00 C ATOM 537 C GLU A 35 87.147 -6.878 32.606 1.00 0.00 C ATOM 538 O GLU A 35 87.205 -6.680 33.804 1.00 0.00 O ATOM 539 CB GLU A 35 89.047 -7.980 31.426 1.00 0.00 C ATOM 540 CG GLU A 35 90.046 -7.727 32.564 1.00 0.00 C ATOM 541 CD GLU A 35 89.928 -6.280 33.057 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.549 -5.430 32.268 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.218 -6.048 34.220 1.00 0.00 O ATOM 0 H GLU A 35 87.150 -8.721 29.991 1.00 0.00 H new ATOM 0 HA GLU A 35 87.670 -8.958 32.781 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.351 -8.854 30.851 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.042 -7.133 30.740 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.854 -8.416 33.386 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.061 -7.919 32.217 1.00 0.00 H new ATOM 550 N ILE A 36 86.664 -5.972 31.799 1.00 0.00 N ATOM 551 CA ILE A 36 86.177 -4.678 32.358 1.00 0.00 C ATOM 552 C ILE A 36 85.037 -4.969 33.334 1.00 0.00 C ATOM 553 O ILE A 36 84.965 -4.408 34.410 1.00 0.00 O ATOM 554 CB ILE A 36 85.695 -3.779 31.216 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.904 -3.351 30.378 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.018 -2.534 31.792 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.426 -2.688 29.086 1.00 0.00 C ATOM 0 H ILE A 36 86.586 -6.070 30.787 1.00 0.00 H new ATOM 0 HA ILE A 36 86.980 -4.163 32.885 1.00 0.00 H new ATOM 0 HB ILE A 36 84.983 -4.324 30.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.525 -2.658 30.946 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.523 -4.218 30.146 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.676 -1.896 30.977 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.165 -2.833 32.402 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.730 -1.985 32.408 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.288 -2.385 28.492 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.823 -3.395 28.516 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.825 -1.811 29.328 1.00 0.00 H new ATOM 569 N VAL A 37 84.171 -5.877 32.982 1.00 0.00 N ATOM 570 CA VAL A 37 83.059 -6.253 33.899 1.00 0.00 C ATOM 571 C VAL A 37 83.668 -6.912 35.138 1.00 0.00 C ATOM 572 O VAL A 37 83.237 -6.694 36.254 1.00 0.00 O ATOM 573 CB VAL A 37 82.131 -7.238 33.182 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.140 -7.839 34.182 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.357 -6.495 32.090 1.00 0.00 C ATOM 0 H VAL A 37 84.186 -6.378 32.094 1.00 0.00 H new ATOM 0 HA VAL A 37 82.483 -5.375 34.192 1.00 0.00 H new ATOM 0 HB VAL A 37 82.725 -8.037 32.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.482 -8.539 33.667 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.687 -8.364 34.965 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.544 -7.042 34.627 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.694 -7.191 31.576 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.766 -5.698 32.541 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.059 -6.066 31.374 1.00 0.00 H new ATOM 585 N ALA A 38 84.672 -7.722 34.937 1.00 0.00 N ATOM 586 CA ALA A 38 85.330 -8.414 36.079 1.00 0.00 C ATOM 587 C ALA A 38 85.870 -7.386 37.080 1.00 0.00 C ATOM 588 O ALA A 38 86.135 -7.707 38.221 1.00 0.00 O ATOM 589 CB ALA A 38 86.485 -9.269 35.550 1.00 0.00 C ATOM 0 H ALA A 38 85.067 -7.935 34.021 1.00 0.00 H new ATOM 0 HA ALA A 38 84.601 -9.047 36.584 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.971 -9.779 36.382 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.099 -10.008 34.848 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.208 -8.630 35.043 1.00 0.00 H new ATOM 595 N SER A 39 86.038 -6.152 36.673 1.00 0.00 N ATOM 596 CA SER A 39 86.562 -5.123 37.622 1.00 0.00 C ATOM 597 C SER A 39 85.384 -4.443 38.314 1.00 0.00 C ATOM 598 O SER A 39 85.379 -4.257 39.515 1.00 0.00 O ATOM 599 CB SER A 39 87.373 -4.077 36.854 1.00 0.00 C ATOM 600 OG SER A 39 88.466 -4.713 36.205 1.00 0.00 O ATOM 0 H SER A 39 85.837 -5.815 35.732 1.00 0.00 H new ATOM 0 HA SER A 39 87.204 -5.600 38.362 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.741 -3.577 36.120 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.737 -3.309 37.537 1.00 0.00 H new ATOM 0 HG SER A 39 88.129 -5.299 35.496 1.00 0.00 H new ATOM 606 N CYS A 40 84.375 -4.090 37.570 1.00 0.00 N ATOM 607 CA CYS A 40 83.187 -3.445 38.191 1.00 0.00 C ATOM 608 C CYS A 40 82.578 -4.410 39.216 1.00 0.00 C ATOM 609 O CYS A 40 82.300 -5.554 38.912 1.00 0.00 O ATOM 610 CB CYS A 40 82.162 -3.115 37.100 1.00 0.00 C ATOM 611 SG CYS A 40 81.086 -1.773 37.663 1.00 0.00 S ATOM 0 H CYS A 40 84.322 -4.220 36.560 1.00 0.00 H new ATOM 0 HA CYS A 40 83.478 -2.522 38.693 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.674 -2.824 36.183 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.567 -3.998 36.867 1.00 0.00 H new ATOM 0 HG CYS A 40 80.219 -1.494 36.735 1.00 0.00 H new ATOM 616 N ASP A 41 82.380 -3.969 40.427 1.00 0.00 N ATOM 617 CA ASP A 41 81.802 -4.876 41.462 1.00 0.00 C ATOM 618 C ASP A 41 80.285 -4.997 41.289 1.00 0.00 C ATOM 619 O ASP A 41 79.687 -5.978 41.689 1.00 0.00 O ATOM 620 CB ASP A 41 82.115 -4.320 42.855 1.00 0.00 C ATOM 621 CG ASP A 41 83.611 -4.463 43.136 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.220 -5.351 42.561 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.125 -3.682 43.920 1.00 0.00 O ATOM 0 H ASP A 41 82.592 -3.024 40.746 1.00 0.00 H new ATOM 0 HA ASP A 41 82.245 -5.865 41.348 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.821 -3.272 42.914 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.539 -4.856 43.610 1.00 0.00 H new ATOM 628 N LYS A 42 79.647 -4.014 40.714 1.00 0.00 N ATOM 629 CA LYS A 42 78.166 -4.098 40.545 1.00 0.00 C ATOM 630 C LYS A 42 77.811 -5.088 39.427 1.00 0.00 C ATOM 631 O LYS A 42 76.876 -5.855 39.544 1.00 0.00 O ATOM 632 CB LYS A 42 77.608 -2.717 40.180 1.00 0.00 C ATOM 633 CG LYS A 42 77.860 -1.729 41.322 1.00 0.00 C ATOM 634 CD LYS A 42 77.298 -0.358 40.937 1.00 0.00 C ATOM 635 CE LYS A 42 77.543 0.642 42.072 1.00 0.00 C ATOM 636 NZ LYS A 42 76.902 0.154 43.325 1.00 0.00 N ATOM 0 H LYS A 42 80.081 -3.163 40.356 1.00 0.00 H new ATOM 0 HA LYS A 42 77.730 -4.441 41.483 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.079 -2.356 39.266 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.539 -2.789 39.981 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.387 -2.085 42.237 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.928 -1.653 41.524 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.772 -0.005 40.021 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.230 -0.437 40.734 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.614 0.773 42.228 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.139 1.618 41.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 76.770 0.951 43.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 75.978 -0.266 43.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.510 -0.563 43.769 1.00 0.00 H new ATOM 650 N CYS A 43 78.535 -5.066 38.340 1.00 0.00 N ATOM 651 CA CYS A 43 78.218 -5.993 37.212 1.00 0.00 C ATOM 652 C CYS A 43 78.799 -7.388 37.464 1.00 0.00 C ATOM 653 O CYS A 43 78.286 -8.376 36.977 1.00 0.00 O ATOM 654 CB CYS A 43 78.795 -5.430 35.914 1.00 0.00 C ATOM 655 SG CYS A 43 78.001 -3.848 35.539 1.00 0.00 S ATOM 0 H CYS A 43 79.331 -4.448 38.183 1.00 0.00 H new ATOM 0 HA CYS A 43 77.134 -6.081 37.134 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.872 -5.295 36.011 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.634 -6.133 35.097 1.00 0.00 H new ATOM 0 HG CYS A 43 78.492 -3.366 34.436 1.00 0.00 H new ATOM 660 N GLN A 44 79.872 -7.485 38.201 1.00 0.00 N ATOM 661 CA GLN A 44 80.478 -8.827 38.446 1.00 0.00 C ATOM 662 C GLN A 44 79.575 -9.658 39.360 1.00 0.00 C ATOM 663 O GLN A 44 79.133 -10.732 39.001 1.00 0.00 O ATOM 664 CB GLN A 44 81.852 -8.654 39.099 1.00 0.00 C ATOM 665 CG GLN A 44 82.529 -10.020 39.220 1.00 0.00 C ATOM 666 CD GLN A 44 83.932 -9.854 39.805 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.574 -10.825 40.153 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.438 -8.658 39.930 1.00 0.00 N ATOM 0 H GLN A 44 80.353 -6.701 38.641 1.00 0.00 H new ATOM 0 HA GLN A 44 80.587 -9.346 37.494 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.469 -7.981 38.503 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.745 -8.200 40.084 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.935 -10.675 39.857 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.587 -10.495 38.241 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.899 -7.843 39.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.373 -8.538 40.320 1.00 0.00 H new ATOM 677 N LEU A 45 79.293 -9.175 40.538 1.00 0.00 N ATOM 678 CA LEU A 45 78.414 -9.943 41.471 1.00 0.00 C ATOM 679 C LEU A 45 76.948 -9.627 41.169 1.00 0.00 C ATOM 680 O LEU A 45 76.584 -8.491 40.940 1.00 0.00 O ATOM 681 CB LEU A 45 78.721 -9.543 42.918 1.00 0.00 C ATOM 682 CG LEU A 45 80.186 -9.850 43.257 1.00 0.00 C ATOM 683 CD1 LEU A 45 80.482 -9.356 44.677 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.443 -11.368 43.172 1.00 0.00 C ATOM 0 H LEU A 45 79.632 -8.282 40.897 1.00 0.00 H new ATOM 0 HA LEU A 45 78.598 -11.009 41.338 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.523 -8.480 43.058 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.063 -10.082 43.599 1.00 0.00 H new ATOM 0 HG LEU A 45 80.837 -9.344 42.544 1.00 0.00 H new ATOM 0 HD11 LEU A 45 81.521 -9.570 44.927 1.00 0.00 H new ATOM 0 HD12 LEU A 45 80.309 -8.281 44.732 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.826 -9.865 45.383 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.485 -11.575 43.414 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.796 -11.887 43.880 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.229 -11.717 42.162 1.00 0.00 H new ATOM 839 N PHE B 1 96.030 -11.240 22.538 1.00 0.00 N ATOM 840 CA PHE B 1 95.072 -12.328 22.885 1.00 0.00 C ATOM 841 C PHE B 1 95.555 -13.636 22.261 1.00 0.00 C ATOM 842 O PHE B 1 95.513 -13.817 21.059 1.00 0.00 O ATOM 843 CB PHE B 1 93.686 -11.964 22.352 1.00 0.00 C ATOM 844 CG PHE B 1 93.421 -10.501 22.635 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.250 -10.065 23.955 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.364 -9.577 21.582 1.00 0.00 C ATOM 847 CE1 PHE B 1 93.020 -8.710 24.223 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.136 -8.221 21.850 1.00 0.00 C ATOM 849 CZ PHE B 1 92.963 -7.788 23.170 1.00 0.00 C ATOM 0 H1 PHE B 1 95.533 -10.327 22.537 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.797 -11.216 23.240 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.430 -11.417 21.594 1.00 0.00 H new ATOM 0 HA PHE B 1 95.015 -12.450 23.967 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.632 -12.157 21.281 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.925 -12.584 22.826 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.296 -10.775 24.767 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.496 -9.911 20.563 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.887 -8.376 25.241 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.094 -7.510 21.038 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.786 -6.743 23.377 1.00 0.00 H new ATOM 861 N LEU B 2 96.040 -14.544 23.072 1.00 0.00 N ATOM 862 CA LEU B 2 96.559 -15.841 22.536 1.00 0.00 C ATOM 863 C LEU B 2 95.529 -16.950 22.685 1.00 0.00 C ATOM 864 O LEU B 2 94.895 -17.095 23.706 1.00 0.00 O ATOM 865 CB LEU B 2 97.825 -16.245 23.298 1.00 0.00 C ATOM 866 CG LEU B 2 98.890 -15.146 23.195 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.138 -15.589 23.966 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.256 -14.897 21.722 1.00 0.00 C ATOM 0 H LEU B 2 96.099 -14.442 24.085 1.00 0.00 H new ATOM 0 HA LEU B 2 96.778 -15.701 21.478 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.583 -16.428 24.345 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.217 -17.178 22.894 1.00 0.00 H new ATOM 0 HG LEU B 2 98.498 -14.222 23.619 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.901 -14.814 23.899 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.880 -15.754 25.012 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.522 -16.514 23.536 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.013 -14.115 21.662 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.648 -15.815 21.284 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.367 -14.584 21.174 1.00 0.00 H new ATOM 880 N ASP B 3 95.390 -17.758 21.672 1.00 0.00 N ATOM 881 CA ASP B 3 94.437 -18.894 21.748 1.00 0.00 C ATOM 882 C ASP B 3 94.878 -19.797 22.895 1.00 0.00 C ATOM 883 O ASP B 3 94.073 -20.308 23.647 1.00 0.00 O ATOM 884 CB ASP B 3 94.452 -19.675 20.432 1.00 0.00 C ATOM 885 CG ASP B 3 93.809 -18.830 19.331 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.062 -17.926 19.666 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.070 -19.105 18.171 1.00 0.00 O ATOM 0 H ASP B 3 95.899 -17.678 20.792 1.00 0.00 H new ATOM 0 HA ASP B 3 93.424 -18.531 21.919 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.476 -19.929 20.159 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.911 -20.614 20.548 1.00 0.00 H new ATOM 892 N GLY B 4 96.167 -19.981 23.041 1.00 0.00 N ATOM 893 CA GLY B 4 96.688 -20.833 24.150 1.00 0.00 C ATOM 894 C GLY B 4 95.993 -20.439 25.454 1.00 0.00 C ATOM 895 O GLY B 4 96.043 -21.149 26.439 1.00 0.00 O ATOM 0 H GLY B 4 96.882 -19.576 22.437 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.508 -21.886 23.931 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.766 -20.707 24.246 1.00 0.00 H new ATOM 899 N ILE B 5 95.325 -19.317 25.458 1.00 0.00 N ATOM 900 CA ILE B 5 94.605 -18.881 26.682 1.00 0.00 C ATOM 901 C ILE B 5 93.590 -19.970 27.045 1.00 0.00 C ATOM 902 O ILE B 5 93.300 -20.204 28.200 1.00 0.00 O ATOM 903 CB ILE B 5 93.906 -17.539 26.409 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.946 -16.415 26.437 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.838 -17.269 27.476 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.335 -15.132 25.863 1.00 0.00 C ATOM 0 H ILE B 5 95.249 -18.684 24.662 1.00 0.00 H new ATOM 0 HA ILE B 5 95.294 -18.738 27.515 1.00 0.00 H new ATOM 0 HB ILE B 5 93.426 -17.580 25.431 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.283 -16.243 27.459 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.823 -16.703 25.857 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.351 -16.316 27.270 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.096 -18.067 27.458 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.307 -17.232 28.459 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.077 -14.334 25.884 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.020 -15.307 24.834 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.472 -14.841 26.462 1.00 0.00 H new ATOM 918 N ASP B 6 93.073 -20.658 26.063 1.00 0.00 N ATOM 919 CA ASP B 6 92.105 -21.752 26.354 1.00 0.00 C ATOM 920 C ASP B 6 92.816 -22.785 27.231 1.00 0.00 C ATOM 921 O ASP B 6 92.254 -23.318 28.166 1.00 0.00 O ATOM 922 CB ASP B 6 91.653 -22.401 25.040 1.00 0.00 C ATOM 923 CG ASP B 6 90.658 -23.528 25.330 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.650 -24.015 26.448 1.00 0.00 O ATOM 925 OD2 ASP B 6 89.922 -23.888 24.426 1.00 0.00 O ATOM 0 H ASP B 6 93.279 -20.510 25.075 1.00 0.00 H new ATOM 0 HA ASP B 6 91.226 -21.362 26.868 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.191 -21.653 24.395 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.516 -22.795 24.503 1.00 0.00 H new ATOM 930 N LYS B 7 94.059 -23.054 26.939 1.00 0.00 N ATOM 931 CA LYS B 7 94.831 -24.031 27.754 1.00 0.00 C ATOM 932 C LYS B 7 94.999 -23.473 29.171 1.00 0.00 C ATOM 933 O LYS B 7 94.945 -24.196 30.147 1.00 0.00 O ATOM 934 CB LYS B 7 96.210 -24.248 27.116 1.00 0.00 C ATOM 935 CG LYS B 7 97.041 -25.251 27.932 1.00 0.00 C ATOM 936 CD LYS B 7 96.341 -26.618 27.984 1.00 0.00 C ATOM 937 CE LYS B 7 97.356 -27.700 28.356 1.00 0.00 C ATOM 938 NZ LYS B 7 96.654 -29.004 28.524 1.00 0.00 N ATOM 0 H LYS B 7 94.575 -22.635 26.165 1.00 0.00 H new ATOM 0 HA LYS B 7 94.301 -24.983 27.796 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.090 -24.614 26.096 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.740 -23.297 27.053 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.030 -25.360 27.487 1.00 0.00 H new ATOM 0 HG3 LYS B 7 97.187 -24.872 28.944 1.00 0.00 H new ATOM 0 HD2 LYS B 7 95.533 -26.596 28.715 1.00 0.00 H new ATOM 0 HD3 LYS B 7 95.891 -26.844 27.018 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.117 -27.782 27.580 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.870 -27.430 29.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 97.131 -29.563 29.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 95.667 -28.833 28.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.673 -29.527 27.625 1.00 0.00 H new ATOM 952 N ALA B 8 95.205 -22.188 29.287 1.00 0.00 N ATOM 953 CA ALA B 8 95.380 -21.573 30.635 1.00 0.00 C ATOM 954 C ALA B 8 94.132 -21.836 31.483 1.00 0.00 C ATOM 955 O ALA B 8 94.217 -22.066 32.674 1.00 0.00 O ATOM 956 CB ALA B 8 95.575 -20.063 30.482 1.00 0.00 C ATOM 0 H ALA B 8 95.260 -21.536 28.504 1.00 0.00 H new ATOM 0 HA ALA B 8 96.252 -22.009 31.122 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.703 -19.611 31.466 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.460 -19.870 29.876 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.701 -19.631 29.995 1.00 0.00 H new ATOM 962 N GLN B 9 92.977 -21.801 30.880 1.00 0.00 N ATOM 963 CA GLN B 9 91.722 -22.045 31.647 1.00 0.00 C ATOM 964 C GLN B 9 91.773 -23.445 32.262 1.00 0.00 C ATOM 965 O GLN B 9 91.354 -23.664 33.381 1.00 0.00 O ATOM 966 CB GLN B 9 90.529 -21.962 30.696 1.00 0.00 C ATOM 967 CG GLN B 9 90.330 -20.514 30.250 1.00 0.00 C ATOM 968 CD GLN B 9 89.300 -20.470 29.121 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.045 -21.469 28.478 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.697 -19.346 28.846 1.00 0.00 N ATOM 0 H GLN B 9 92.847 -21.613 29.886 1.00 0.00 H new ATOM 0 HA GLN B 9 91.621 -21.298 32.434 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.697 -22.601 29.829 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.630 -22.328 31.192 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.993 -19.906 31.089 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.276 -20.092 29.911 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.911 -18.507 29.386 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.012 -19.306 28.091 1.00 0.00 H new ATOM 979 N GLU B 10 92.278 -24.393 31.526 1.00 0.00 N ATOM 980 CA GLU B 10 92.356 -25.788 32.039 1.00 0.00 C ATOM 981 C GLU B 10 93.212 -25.826 33.308 1.00 0.00 C ATOM 982 O GLU B 10 92.917 -26.542 34.244 1.00 0.00 O ATOM 983 CB GLU B 10 92.987 -26.678 30.964 1.00 0.00 C ATOM 984 CG GLU B 10 93.017 -28.131 31.442 1.00 0.00 C ATOM 985 CD GLU B 10 93.603 -29.015 30.339 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.846 -28.497 29.261 1.00 0.00 O ATOM 987 OE2 GLU B 10 93.794 -30.194 30.589 1.00 0.00 O ATOM 0 H GLU B 10 92.643 -24.260 30.583 1.00 0.00 H new ATOM 0 HA GLU B 10 91.355 -26.149 32.276 1.00 0.00 H new ATOM 0 HB2 GLU B 10 92.418 -26.603 30.037 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.999 -26.337 30.745 1.00 0.00 H new ATOM 0 HG2 GLU B 10 93.617 -28.215 32.348 1.00 0.00 H new ATOM 0 HG3 GLU B 10 92.010 -28.464 31.694 1.00 0.00 H new ATOM 994 N GLU B 11 94.283 -25.077 33.340 1.00 0.00 N ATOM 995 CA GLU B 11 95.175 -25.083 34.541 1.00 0.00 C ATOM 996 C GLU B 11 94.788 -23.962 35.512 1.00 0.00 C ATOM 997 O GLU B 11 95.428 -23.772 36.529 1.00 0.00 O ATOM 998 CB GLU B 11 96.622 -24.879 34.089 1.00 0.00 C ATOM 999 CG GLU B 11 97.085 -26.107 33.306 1.00 0.00 C ATOM 1000 CD GLU B 11 97.226 -27.296 34.257 1.00 0.00 C ATOM 1001 OE1 GLU B 11 97.815 -27.120 35.311 1.00 0.00 O ATOM 1002 OE2 GLU B 11 96.744 -28.364 33.915 1.00 0.00 O ATOM 0 H GLU B 11 94.581 -24.459 32.585 1.00 0.00 H new ATOM 0 HA GLU B 11 95.068 -26.039 35.053 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.698 -23.987 33.467 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.266 -24.721 34.954 1.00 0.00 H new ATOM 0 HG2 GLU B 11 96.368 -26.341 32.519 1.00 0.00 H new ATOM 0 HG3 GLU B 11 98.038 -25.902 32.819 1.00 0.00 H new ATOM 1009 N CYS B 12 93.753 -23.223 35.225 1.00 0.00 N ATOM 1010 CA CYS B 12 93.351 -22.128 36.157 1.00 0.00 C ATOM 1011 C CYS B 12 93.269 -22.687 37.581 1.00 0.00 C ATOM 1012 O CYS B 12 93.788 -22.113 38.518 1.00 0.00 O ATOM 1013 CB CYS B 12 91.984 -21.578 35.744 1.00 0.00 C ATOM 1014 SG CYS B 12 91.511 -20.238 36.863 1.00 0.00 S ATOM 0 H CYS B 12 93.171 -23.327 34.394 1.00 0.00 H new ATOM 0 HA CYS B 12 94.087 -21.325 36.119 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.022 -21.213 34.718 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.237 -22.371 35.773 1.00 0.00 H new ATOM 0 HG CYS B 12 90.602 -19.501 36.297 1.00 0.00 H new ATOM 1019 N GLU B 13 92.628 -23.811 37.742 1.00 0.00 N ATOM 1020 CA GLU B 13 92.513 -24.427 39.093 1.00 0.00 C ATOM 1021 C GLU B 13 93.916 -24.731 39.635 1.00 0.00 C ATOM 1022 O GLU B 13 94.190 -24.561 40.807 1.00 0.00 O ATOM 1023 CB GLU B 13 91.694 -25.717 38.996 1.00 0.00 C ATOM 1024 CG GLU B 13 91.553 -26.348 40.383 1.00 0.00 C ATOM 1025 CD GLU B 13 90.647 -27.576 40.293 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.044 -27.766 39.249 1.00 0.00 O ATOM 1027 OE2 GLU B 13 90.569 -28.304 41.268 1.00 0.00 O ATOM 0 H GLU B 13 92.176 -24.332 36.991 1.00 0.00 H new ATOM 0 HA GLU B 13 92.011 -23.738 39.772 1.00 0.00 H new ATOM 0 HB2 GLU B 13 90.709 -25.503 38.582 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.180 -26.417 38.316 1.00 0.00 H new ATOM 0 HG2 GLU B 13 92.533 -26.633 40.766 1.00 0.00 H new ATOM 0 HG3 GLU B 13 91.135 -25.625 41.083 1.00 0.00 H new ATOM 1034 N LYS B 14 94.802 -25.188 38.790 1.00 0.00 N ATOM 1035 CA LYS B 14 96.185 -25.512 39.252 1.00 0.00 C ATOM 1036 C LYS B 14 96.848 -24.256 39.823 1.00 0.00 C ATOM 1037 O LYS B 14 97.543 -24.312 40.817 1.00 0.00 O ATOM 1038 CB LYS B 14 97.017 -26.040 38.073 1.00 0.00 C ATOM 1039 CG LYS B 14 98.438 -26.444 38.553 1.00 0.00 C ATOM 1040 CD LYS B 14 99.464 -25.367 38.174 1.00 0.00 C ATOM 1041 CE LYS B 14 100.813 -25.697 38.817 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.275 -27.033 38.348 1.00 0.00 N ATOM 0 H LYS B 14 94.628 -25.351 37.798 1.00 0.00 H new ATOM 0 HA LYS B 14 96.131 -26.276 40.027 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.519 -26.900 37.624 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.091 -25.275 37.300 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.436 -26.587 39.634 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.721 -27.397 38.106 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.569 -25.315 37.090 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.120 -24.388 38.508 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.548 -24.935 38.557 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.721 -25.693 39.903 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.288 -27.143 38.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 100.738 -27.777 38.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.122 -27.113 37.322 1.00 0.00 H new ATOM 1056 N TYR B 15 96.642 -23.123 39.207 1.00 0.00 N ATOM 1057 CA TYR B 15 97.267 -21.872 39.729 1.00 0.00 C ATOM 1058 C TYR B 15 96.377 -21.298 40.832 1.00 0.00 C ATOM 1059 O TYR B 15 96.781 -20.437 41.585 1.00 0.00 O ATOM 1060 CB TYR B 15 97.397 -20.846 38.600 1.00 0.00 C ATOM 1061 CG TYR B 15 98.376 -21.346 37.564 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.752 -21.311 37.827 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.912 -21.844 36.339 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.661 -21.773 36.868 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.822 -22.305 35.380 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.196 -22.270 35.644 1.00 0.00 C ATOM 1067 OH TYR B 15 101.093 -22.724 34.698 1.00 0.00 O ATOM 0 H TYR B 15 96.071 -23.009 38.369 1.00 0.00 H new ATOM 0 HA TYR B 15 98.258 -22.096 40.125 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.424 -20.672 38.140 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.735 -19.891 39.002 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.111 -20.927 38.770 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.852 -21.872 36.135 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.721 -21.746 37.072 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.463 -22.688 34.436 1.00 0.00 H new ATOM 0 HH TYR B 15 101.924 -22.209 34.762 1.00 0.00 H new ATOM 1077 N HIS B 16 95.169 -21.784 40.937 1.00 0.00 N ATOM 1078 CA HIS B 16 94.246 -21.289 41.996 1.00 0.00 C ATOM 1079 C HIS B 16 94.037 -19.780 41.848 1.00 0.00 C ATOM 1080 O HIS B 16 93.806 -19.275 40.768 1.00 0.00 O ATOM 1081 CB HIS B 16 94.834 -21.593 43.377 1.00 0.00 C ATOM 1082 CG HIS B 16 95.338 -23.008 43.406 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.688 -24.214 43.510 1.00 0.00 N flip ATOM 1084 CD2 HIS B 16 96.689 -23.311 43.322 1.00 0.00 C flip ATOM 1085 CE1 HIS B 16 95.620 -25.244 43.491 1.00 0.00 C flip ATOM 1086 NE2 HIS B 16 96.809 -24.651 43.376 1.00 0.00 N flip ATOM 0 H HIS B 16 94.781 -22.507 40.331 1.00 0.00 H new ATOM 0 HA HIS B 16 93.285 -21.793 41.892 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.647 -20.901 43.598 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.075 -21.450 44.147 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.498 -22.601 43.230 1.00 0.00 H new ATOM 0 HE1 HIS B 16 95.423 -26.304 43.556 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.698 -25.150 43.334 1.00 0.00 H new ATOM 1095 N SER B 17 94.106 -19.061 42.935 1.00 0.00 N ATOM 1096 CA SER B 17 93.902 -17.585 42.881 1.00 0.00 C ATOM 1097 C SER B 17 95.200 -16.883 42.473 1.00 0.00 C ATOM 1098 O SER B 17 95.221 -15.690 42.248 1.00 0.00 O ATOM 1099 CB SER B 17 93.478 -17.085 44.263 1.00 0.00 C ATOM 1100 OG SER B 17 93.338 -15.671 44.228 1.00 0.00 O ATOM 0 H SER B 17 94.296 -19.435 43.865 1.00 0.00 H new ATOM 0 HA SER B 17 93.129 -17.362 42.146 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.536 -17.548 44.557 1.00 0.00 H new ATOM 0 HB3 SER B 17 94.220 -17.370 45.009 1.00 0.00 H new ATOM 0 HG SER B 17 93.840 -15.311 43.467 1.00 0.00 H new ATOM 1106 N ASN B 18 96.285 -17.604 42.383 1.00 0.00 N ATOM 1107 CA ASN B 18 97.573 -16.952 42.004 1.00 0.00 C ATOM 1108 C ASN B 18 97.625 -16.752 40.486 1.00 0.00 C ATOM 1109 O ASN B 18 98.291 -17.477 39.775 1.00 0.00 O ATOM 1110 CB ASN B 18 98.738 -17.846 42.432 1.00 0.00 C ATOM 1111 CG ASN B 18 98.850 -17.850 43.957 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.370 -16.949 44.617 1.00 0.00 O ATOM 1113 ND2 ASN B 18 99.469 -18.835 44.548 1.00 0.00 N ATOM 0 H ASN B 18 96.336 -18.608 42.554 1.00 0.00 H new ATOM 0 HA ASN B 18 97.646 -15.984 42.501 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.584 -18.861 42.066 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.667 -17.486 41.990 1.00 0.00 H new ATOM 0 HD21 ASN B 18 99.550 -18.849 45.565 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.871 -19.591 43.993 1.00 0.00 H new ATOM 1120 N TRP B 19 96.928 -15.765 39.990 1.00 0.00 N ATOM 1121 CA TRP B 19 96.938 -15.505 38.522 1.00 0.00 C ATOM 1122 C TRP B 19 98.304 -14.958 38.101 1.00 0.00 C ATOM 1123 O TRP B 19 98.724 -15.119 36.972 1.00 0.00 O ATOM 1124 CB TRP B 19 95.847 -14.487 38.176 1.00 0.00 C ATOM 1125 CG TRP B 19 96.001 -13.273 39.035 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.385 -13.086 40.225 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.814 -12.085 38.803 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.760 -11.856 40.733 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.641 -11.203 39.897 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.673 -11.686 37.761 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.297 -9.974 39.957 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.336 -10.448 37.821 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.147 -9.595 38.918 1.00 0.00 C ATOM 0 H TRP B 19 96.352 -15.127 40.539 1.00 0.00 H new ATOM 0 HA TRP B 19 96.747 -16.437 37.990 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.914 -14.211 37.124 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.862 -14.929 38.327 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.711 -13.783 40.700 1.00 0.00 H new ATOM 0 HE1 TRP B 19 95.425 -11.477 41.619 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.823 -12.335 36.911 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.148 -9.319 40.803 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.995 -10.152 37.018 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.659 -8.645 38.958 1.00 0.00 H new ATOM 1144 N ARG B 20 99.003 -14.312 38.994 1.00 0.00 N ATOM 1145 CA ARG B 20 100.339 -13.759 38.630 1.00 0.00 C ATOM 1146 C ARG B 20 101.264 -14.893 38.189 1.00 0.00 C ATOM 1147 O ARG B 20 102.020 -14.757 37.246 1.00 0.00 O ATOM 1148 CB ARG B 20 100.948 -13.045 39.838 1.00 0.00 C ATOM 1149 CG ARG B 20 100.236 -11.707 40.057 1.00 0.00 C ATOM 1150 CD ARG B 20 100.670 -11.114 41.397 1.00 0.00 C ATOM 1151 NE ARG B 20 100.209 -9.685 41.492 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.665 -8.760 40.692 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.587 -9.041 39.812 1.00 0.00 N ATOM 1154 NH2 ARG B 20 100.211 -7.541 40.789 1.00 0.00 N ATOM 0 H ARG B 20 98.709 -14.144 39.956 1.00 0.00 H new ATOM 0 HA ARG B 20 100.221 -13.049 37.811 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.854 -13.668 40.727 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.013 -12.879 39.676 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.476 -11.018 39.247 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.156 -11.851 40.043 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.250 -11.697 42.217 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.755 -11.164 41.493 1.00 0.00 H new ATOM 0 HE ARG B 20 99.521 -9.432 42.201 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.957 -9.989 39.746 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.938 -8.312 39.191 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.503 -7.315 41.488 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.564 -6.814 40.166 1.00 0.00 H new ATOM 1168 N ALA B 21 101.209 -16.013 38.853 1.00 0.00 N ATOM 1169 CA ALA B 21 102.087 -17.149 38.458 1.00 0.00 C ATOM 1170 C ALA B 21 101.698 -17.605 37.050 1.00 0.00 C ATOM 1171 O ALA B 21 102.537 -17.779 36.188 1.00 0.00 O ATOM 1172 CB ALA B 21 101.905 -18.303 39.448 1.00 0.00 C ATOM 0 H ALA B 21 100.597 -16.191 39.649 1.00 0.00 H new ATOM 0 HA ALA B 21 103.131 -16.836 38.467 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.547 -19.135 39.159 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.173 -17.968 40.450 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.865 -18.628 39.440 1.00 0.00 H new ATOM 1178 N MET B 22 100.430 -17.786 36.807 1.00 0.00 N ATOM 1179 CA MET B 22 99.980 -18.211 35.452 1.00 0.00 C ATOM 1180 C MET B 22 100.357 -17.130 34.433 1.00 0.00 C ATOM 1181 O MET B 22 100.853 -17.418 33.363 1.00 0.00 O ATOM 1182 CB MET B 22 98.461 -18.401 35.471 1.00 0.00 C ATOM 1183 CG MET B 22 97.998 -19.000 34.142 1.00 0.00 C ATOM 1184 SD MET B 22 96.223 -19.356 34.224 1.00 0.00 S ATOM 1185 CE MET B 22 95.648 -17.658 34.484 1.00 0.00 C ATOM 0 H MET B 22 99.684 -17.658 37.490 1.00 0.00 H new ATOM 0 HA MET B 22 100.461 -19.149 35.174 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.177 -19.056 36.294 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.968 -17.444 35.641 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.203 -18.306 33.327 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.553 -19.914 33.930 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.610 -17.572 34.164 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.724 -17.406 35.542 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.264 -16.972 33.903 1.00 0.00 H new ATOM 1195 N ALA B 23 100.136 -15.887 34.762 1.00 0.00 N ATOM 1196 CA ALA B 23 100.488 -14.789 33.815 1.00 0.00 C ATOM 1197 C ALA B 23 101.984 -14.848 33.500 1.00 0.00 C ATOM 1198 O ALA B 23 102.403 -14.646 32.378 1.00 0.00 O ATOM 1199 CB ALA B 23 100.158 -13.443 34.464 1.00 0.00 C ATOM 0 H ALA B 23 99.727 -15.583 35.646 1.00 0.00 H new ATOM 0 HA ALA B 23 99.919 -14.903 32.892 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.413 -12.636 33.777 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.093 -13.401 34.694 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.732 -13.332 35.384 1.00 0.00 H new ATOM 1205 N SER B 24 102.794 -15.122 34.485 1.00 0.00 N ATOM 1206 CA SER B 24 104.263 -15.195 34.250 1.00 0.00 C ATOM 1207 C SER B 24 104.585 -16.367 33.316 1.00 0.00 C ATOM 1208 O SER B 24 105.456 -16.275 32.472 1.00 0.00 O ATOM 1209 CB SER B 24 104.985 -15.381 35.586 1.00 0.00 C ATOM 1210 OG SER B 24 104.844 -14.199 36.364 1.00 0.00 O ATOM 0 H SER B 24 102.500 -15.299 35.446 1.00 0.00 H new ATOM 0 HA SER B 24 104.600 -14.269 33.784 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.569 -16.235 36.122 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.040 -15.595 35.416 1.00 0.00 H new ATOM 0 HG SER B 24 103.949 -14.175 36.763 1.00 0.00 H new ATOM 1216 N ASP B 25 103.904 -17.473 33.466 1.00 0.00 N ATOM 1217 CA ASP B 25 104.193 -18.651 32.591 1.00 0.00 C ATOM 1218 C ASP B 25 103.742 -18.377 31.156 1.00 0.00 C ATOM 1219 O ASP B 25 104.419 -18.724 30.210 1.00 0.00 O ATOM 1220 CB ASP B 25 103.433 -19.871 33.119 1.00 0.00 C ATOM 1221 CG ASP B 25 104.054 -20.334 34.435 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.207 -20.012 34.669 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.369 -21.010 35.185 1.00 0.00 O ATOM 0 H ASP B 25 103.163 -17.613 34.153 1.00 0.00 H new ATOM 0 HA ASP B 25 105.267 -18.837 32.600 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.383 -19.620 33.270 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.466 -20.677 32.386 1.00 0.00 H new ATOM 1228 N PHE B 26 102.611 -17.753 30.980 1.00 0.00 N ATOM 1229 CA PHE B 26 102.127 -17.456 29.597 1.00 0.00 C ATOM 1230 C PHE B 26 102.607 -16.063 29.183 1.00 0.00 C ATOM 1231 O PHE B 26 102.368 -15.613 28.079 1.00 0.00 O ATOM 1232 CB PHE B 26 100.597 -17.512 29.567 1.00 0.00 C ATOM 1233 CG PHE B 26 100.134 -18.950 29.655 1.00 0.00 C ATOM 1234 CD1 PHE B 26 99.972 -19.566 30.904 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.857 -19.665 28.483 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.535 -20.895 30.977 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.421 -20.993 28.558 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.260 -21.607 29.805 1.00 0.00 C ATOM 0 H PHE B 26 101.999 -17.435 31.731 1.00 0.00 H new ATOM 0 HA PHE B 26 102.523 -18.196 28.901 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.187 -16.937 30.397 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.225 -17.056 28.649 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.184 -19.016 31.809 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.980 -19.191 27.520 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.410 -21.370 31.939 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.209 -21.544 27.653 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.923 -22.632 29.863 1.00 0.00 H new ATOM 1248 N ASN B 27 103.300 -15.386 30.058 1.00 0.00 N ATOM 1249 CA ASN B 27 103.824 -14.029 29.726 1.00 0.00 C ATOM 1250 C ASN B 27 102.699 -13.121 29.219 1.00 0.00 C ATOM 1251 O ASN B 27 102.840 -12.463 28.207 1.00 0.00 O ATOM 1252 CB ASN B 27 104.902 -14.152 28.646 1.00 0.00 C ATOM 1253 CG ASN B 27 106.054 -15.010 29.172 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.476 -15.945 28.522 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.585 -14.729 30.330 1.00 0.00 N ATOM 0 H ASN B 27 103.528 -15.717 30.996 1.00 0.00 H new ATOM 0 HA ASN B 27 104.247 -13.588 30.629 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.481 -14.601 27.746 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.268 -13.164 28.368 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.354 -15.294 30.689 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.231 -13.944 30.876 1.00 0.00 H new ATOM 1262 N LEU B 28 101.591 -13.067 29.921 1.00 0.00 N ATOM 1263 CA LEU B 28 100.453 -12.185 29.495 1.00 0.00 C ATOM 1264 C LEU B 28 100.211 -11.132 30.585 1.00 0.00 C ATOM 1265 O LEU B 28 100.484 -11.372 31.745 1.00 0.00 O ATOM 1266 CB LEU B 28 99.192 -13.038 29.320 1.00 0.00 C ATOM 1267 CG LEU B 28 99.312 -13.909 28.054 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.337 -15.085 28.148 1.00 0.00 C ATOM 1269 CD2 LEU B 28 98.971 -13.084 26.800 1.00 0.00 C ATOM 0 H LEU B 28 101.424 -13.598 30.775 1.00 0.00 H new ATOM 0 HA LEU B 28 100.692 -11.694 28.552 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.049 -13.672 30.195 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.316 -12.394 29.246 1.00 0.00 H new ATOM 0 HG LEU B 28 100.337 -14.273 27.979 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.422 -15.701 27.253 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.575 -15.686 29.026 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.318 -14.707 28.233 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.061 -13.714 25.915 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.950 -12.710 26.877 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.660 -12.244 26.719 1.00 0.00 H new ATOM 1281 N PRO B 29 99.711 -9.968 30.230 1.00 0.00 N ATOM 1282 CA PRO B 29 99.453 -8.882 31.222 1.00 0.00 C ATOM 1283 C PRO B 29 98.242 -9.199 32.124 1.00 0.00 C ATOM 1284 O PRO B 29 97.345 -9.915 31.723 1.00 0.00 O ATOM 1285 CB PRO B 29 99.182 -7.650 30.346 1.00 0.00 C ATOM 1286 CG PRO B 29 98.634 -8.206 29.072 1.00 0.00 C ATOM 1287 CD PRO B 29 99.338 -9.551 28.862 1.00 0.00 C ATOM 0 HA PRO B 29 100.287 -8.744 31.910 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.471 -6.974 30.822 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.095 -7.080 30.170 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.554 -8.337 29.136 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.825 -7.531 28.238 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.679 -10.278 28.387 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.214 -9.449 28.222 1.00 0.00 H new ATOM 1295 N PRO B 30 98.207 -8.670 33.329 1.00 0.00 N ATOM 1296 CA PRO B 30 97.078 -8.907 34.277 1.00 0.00 C ATOM 1297 C PRO B 30 95.699 -8.859 33.599 1.00 0.00 C ATOM 1298 O PRO B 30 94.743 -9.428 34.085 1.00 0.00 O ATOM 1299 CB PRO B 30 97.214 -7.760 35.287 1.00 0.00 C ATOM 1300 CG PRO B 30 98.672 -7.416 35.306 1.00 0.00 C ATOM 1301 CD PRO B 30 99.237 -7.791 33.925 1.00 0.00 C ATOM 0 HA PRO B 30 97.133 -9.901 34.720 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.612 -6.901 34.990 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.869 -8.064 36.275 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.816 -6.354 35.507 1.00 0.00 H new ATOM 0 HG3 PRO B 30 99.188 -7.963 36.096 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.406 -6.906 33.312 1.00 0.00 H new ATOM 0 HD3 PRO B 30 100.194 -8.305 34.014 1.00 0.00 H new ATOM 1309 N VAL B 31 95.583 -8.171 32.494 1.00 0.00 N ATOM 1310 CA VAL B 31 94.256 -8.077 31.813 1.00 0.00 C ATOM 1311 C VAL B 31 93.764 -9.473 31.427 1.00 0.00 C ATOM 1312 O VAL B 31 92.640 -9.841 31.710 1.00 0.00 O ATOM 1313 CB VAL B 31 94.394 -7.215 30.553 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.114 -7.305 29.705 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.626 -5.758 30.962 1.00 0.00 C ATOM 0 H VAL B 31 96.345 -7.672 32.035 1.00 0.00 H new ATOM 0 HA VAL B 31 93.535 -7.623 32.493 1.00 0.00 H new ATOM 0 HB VAL B 31 95.237 -7.577 29.965 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.224 -6.688 28.813 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.944 -8.341 29.411 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.265 -6.950 30.289 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.725 -5.141 30.069 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.781 -5.407 31.554 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.538 -5.687 31.555 1.00 0.00 H new ATOM 1325 N VAL B 32 94.583 -10.254 30.784 1.00 0.00 N ATOM 1326 CA VAL B 32 94.135 -11.619 30.391 1.00 0.00 C ATOM 1327 C VAL B 32 94.148 -12.538 31.612 1.00 0.00 C ATOM 1328 O VAL B 32 93.261 -13.343 31.802 1.00 0.00 O ATOM 1329 CB VAL B 32 95.070 -12.180 29.322 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.609 -13.583 28.930 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.042 -11.270 28.093 1.00 0.00 C ATOM 0 H VAL B 32 95.536 -10.010 30.515 1.00 0.00 H new ATOM 0 HA VAL B 32 93.122 -11.562 29.992 1.00 0.00 H new ATOM 0 HB VAL B 32 96.086 -12.228 29.714 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.275 -13.985 28.167 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.629 -14.231 29.807 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.594 -13.536 28.537 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.709 -11.670 27.329 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.027 -11.222 27.699 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.370 -10.269 28.374 1.00 0.00 H new ATOM 1341 N ALA B 33 95.152 -12.431 32.440 1.00 0.00 N ATOM 1342 CA ALA B 33 95.219 -13.311 33.640 1.00 0.00 C ATOM 1343 C ALA B 33 93.989 -13.068 34.518 1.00 0.00 C ATOM 1344 O ALA B 33 93.282 -13.987 34.879 1.00 0.00 O ATOM 1345 CB ALA B 33 96.502 -13.001 34.421 1.00 0.00 C ATOM 0 H ALA B 33 95.926 -11.774 32.337 1.00 0.00 H new ATOM 0 HA ALA B 33 95.232 -14.357 33.335 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.556 -13.642 35.301 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.368 -13.183 33.785 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.495 -11.957 34.733 1.00 0.00 H new ATOM 1351 N LYS B 34 93.713 -11.839 34.848 1.00 0.00 N ATOM 1352 CA LYS B 34 92.513 -11.550 35.681 1.00 0.00 C ATOM 1353 C LYS B 34 91.257 -12.030 34.948 1.00 0.00 C ATOM 1354 O LYS B 34 90.343 -12.563 35.547 1.00 0.00 O ATOM 1355 CB LYS B 34 92.414 -10.046 35.965 1.00 0.00 C ATOM 1356 CG LYS B 34 93.482 -9.645 36.987 1.00 0.00 C ATOM 1357 CD LYS B 34 93.385 -8.143 37.275 1.00 0.00 C ATOM 1358 CE LYS B 34 94.419 -7.756 38.335 1.00 0.00 C ATOM 1359 NZ LYS B 34 94.492 -6.271 38.447 1.00 0.00 N ATOM 0 H LYS B 34 94.264 -11.024 34.578 1.00 0.00 H new ATOM 0 HA LYS B 34 92.601 -12.077 36.631 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.549 -9.482 35.042 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.422 -9.802 36.346 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.347 -10.211 37.909 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.474 -9.888 36.605 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.557 -7.575 36.361 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.382 -7.893 37.622 1.00 0.00 H new ATOM 0 HE2 LYS B 34 94.147 -8.190 39.297 1.00 0.00 H new ATOM 0 HE3 LYS B 34 95.396 -8.159 38.068 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.195 -6.011 39.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.771 -5.867 37.530 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 93.561 -5.897 38.721 1.00 0.00 H new ATOM 1373 N GLU B 35 91.199 -11.833 33.658 1.00 0.00 N ATOM 1374 CA GLU B 35 89.994 -12.263 32.887 1.00 0.00 C ATOM 1375 C GLU B 35 89.797 -13.779 32.999 1.00 0.00 C ATOM 1376 O GLU B 35 88.686 -14.255 33.127 1.00 0.00 O ATOM 1377 CB GLU B 35 90.176 -11.894 31.412 1.00 0.00 C ATOM 1378 CG GLU B 35 88.864 -12.132 30.647 1.00 0.00 C ATOM 1379 CD GLU B 35 88.686 -13.625 30.357 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.686 -14.314 30.238 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.548 -14.055 30.258 1.00 0.00 O ATOM 0 H GLU B 35 91.934 -11.393 33.104 1.00 0.00 H new ATOM 0 HA GLU B 35 89.120 -11.758 33.297 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.474 -10.849 31.324 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.976 -12.492 30.975 1.00 0.00 H new ATOM 0 HG2 GLU B 35 88.021 -11.765 31.232 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.872 -11.571 29.713 1.00 0.00 H new ATOM 1388 N ILE B 36 90.853 -14.545 32.949 1.00 0.00 N ATOM 1389 CA ILE B 36 90.692 -16.025 33.050 1.00 0.00 C ATOM 1390 C ILE B 36 90.045 -16.353 34.398 1.00 0.00 C ATOM 1391 O ILE B 36 89.153 -17.172 34.490 1.00 0.00 O ATOM 1392 CB ILE B 36 92.063 -16.693 32.933 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.583 -16.507 31.505 1.00 0.00 C ATOM 1394 CG2 ILE B 36 91.934 -18.187 33.228 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.054 -16.919 31.437 1.00 0.00 C ATOM 0 H ILE B 36 91.812 -14.215 32.844 1.00 0.00 H new ATOM 0 HA ILE B 36 90.057 -16.397 32.246 1.00 0.00 H new ATOM 0 HB ILE B 36 92.753 -16.242 33.646 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.994 -17.108 30.812 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.472 -15.467 31.199 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.912 -18.660 33.144 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.549 -18.326 34.238 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.248 -18.641 32.513 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.422 -16.786 30.420 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.637 -16.299 32.118 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.152 -17.966 31.724 1.00 0.00 H new ATOM 1407 N VAL B 37 90.464 -15.682 35.433 1.00 0.00 N ATOM 1408 CA VAL B 37 89.853 -15.905 36.773 1.00 0.00 C ATOM 1409 C VAL B 37 88.397 -15.443 36.712 1.00 0.00 C ATOM 1410 O VAL B 37 87.508 -16.061 37.265 1.00 0.00 O ATOM 1411 CB VAL B 37 90.621 -15.090 37.819 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.856 -15.096 39.145 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.999 -15.720 38.030 1.00 0.00 C ATOM 0 H VAL B 37 91.208 -14.984 35.409 1.00 0.00 H new ATOM 0 HA VAL B 37 89.897 -16.959 37.048 1.00 0.00 H new ATOM 0 HB VAL B 37 90.730 -14.063 37.471 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.406 -14.515 39.885 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.870 -14.655 38.998 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.746 -16.122 39.497 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.552 -15.145 38.773 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.881 -16.746 38.379 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.548 -15.718 37.088 1.00 0.00 H new ATOM 1423 N ALA B 38 88.159 -14.351 36.041 1.00 0.00 N ATOM 1424 CA ALA B 38 86.774 -13.817 35.925 1.00 0.00 C ATOM 1425 C ALA B 38 85.855 -14.863 35.283 1.00 0.00 C ATOM 1426 O ALA B 38 84.648 -14.788 35.396 1.00 0.00 O ATOM 1427 CB ALA B 38 86.793 -12.557 35.060 1.00 0.00 C ATOM 0 H ALA B 38 88.872 -13.800 35.563 1.00 0.00 H new ATOM 0 HA ALA B 38 86.397 -13.579 36.920 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.781 -12.161 34.971 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.436 -11.808 35.522 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.175 -12.802 34.069 1.00 0.00 H new ATOM 1433 N SER B 39 86.407 -15.839 34.606 1.00 0.00 N ATOM 1434 CA SER B 39 85.544 -16.877 33.962 1.00 0.00 C ATOM 1435 C SER B 39 85.348 -18.034 34.939 1.00 0.00 C ATOM 1436 O SER B 39 84.252 -18.523 35.127 1.00 0.00 O ATOM 1437 CB SER B 39 86.222 -17.395 32.691 1.00 0.00 C ATOM 1438 OG SER B 39 86.411 -16.318 31.783 1.00 0.00 O ATOM 0 H SER B 39 87.411 -15.962 34.472 1.00 0.00 H new ATOM 0 HA SER B 39 84.579 -16.442 33.702 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.181 -17.850 32.937 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.610 -18.171 32.230 1.00 0.00 H new ATOM 0 HG SER B 39 87.072 -15.694 32.149 1.00 0.00 H new ATOM 1444 N CYS B 40 86.399 -18.465 35.576 1.00 0.00 N ATOM 1445 CA CYS B 40 86.266 -19.575 36.556 1.00 0.00 C ATOM 1446 C CYS B 40 85.304 -19.138 37.667 1.00 0.00 C ATOM 1447 O CYS B 40 85.465 -18.090 38.260 1.00 0.00 O ATOM 1448 CB CYS B 40 87.643 -19.897 37.145 1.00 0.00 C ATOM 1449 SG CYS B 40 87.658 -21.595 37.768 1.00 0.00 S ATOM 0 H CYS B 40 87.343 -18.097 35.460 1.00 0.00 H new ATOM 0 HA CYS B 40 85.874 -20.467 36.067 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.413 -19.772 36.384 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.876 -19.202 37.951 1.00 0.00 H new ATOM 0 HG CYS B 40 88.829 -21.865 38.265 1.00 0.00 H new ATOM 1454 N ASP B 41 84.300 -19.920 37.948 1.00 0.00 N ATOM 1455 CA ASP B 41 83.329 -19.528 39.011 1.00 0.00 C ATOM 1456 C ASP B 41 83.903 -19.825 40.401 1.00 0.00 C ATOM 1457 O ASP B 41 83.521 -19.209 41.377 1.00 0.00 O ATOM 1458 CB ASP B 41 82.026 -20.308 38.820 1.00 0.00 C ATOM 1459 CG ASP B 41 81.308 -19.806 37.567 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.518 -18.658 37.207 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.559 -20.575 36.986 1.00 0.00 O ATOM 0 H ASP B 41 84.109 -20.811 37.490 1.00 0.00 H new ATOM 0 HA ASP B 41 83.136 -18.458 38.934 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.238 -21.373 38.728 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.385 -20.185 39.693 1.00 0.00 H new ATOM 1466 N LYS B 42 84.802 -20.765 40.512 1.00 0.00 N ATOM 1467 CA LYS B 42 85.365 -21.084 41.858 1.00 0.00 C ATOM 1468 C LYS B 42 86.343 -19.990 42.301 1.00 0.00 C ATOM 1469 O LYS B 42 86.369 -19.599 43.451 1.00 0.00 O ATOM 1470 CB LYS B 42 86.111 -22.421 41.798 1.00 0.00 C ATOM 1471 CG LYS B 42 85.137 -23.551 41.456 1.00 0.00 C ATOM 1472 CD LYS B 42 85.901 -24.877 41.403 1.00 0.00 C ATOM 1473 CE LYS B 42 84.940 -26.016 41.060 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.858 -26.085 42.082 1.00 0.00 N ATOM 0 H LYS B 42 85.169 -21.321 39.739 1.00 0.00 H new ATOM 0 HA LYS B 42 84.544 -21.144 42.573 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.901 -22.372 41.049 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.591 -22.622 42.756 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.346 -23.603 42.204 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.657 -23.356 40.497 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.694 -24.821 40.657 1.00 0.00 H new ATOM 0 HD3 LYS B 42 86.380 -25.070 42.363 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.510 -25.856 40.071 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.480 -26.962 41.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.427 -27.032 42.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 84.258 -25.900 43.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 83.132 -25.372 41.868 1.00 0.00 H new ATOM 1488 N CYS B 43 87.163 -19.507 41.406 1.00 0.00 N ATOM 1489 CA CYS B 43 88.155 -18.455 41.786 1.00 0.00 C ATOM 1490 C CYS B 43 87.507 -17.067 41.807 1.00 0.00 C ATOM 1491 O CYS B 43 87.942 -16.184 42.520 1.00 0.00 O ATOM 1492 CB CYS B 43 89.313 -18.463 40.789 1.00 0.00 C ATOM 1493 SG CYS B 43 90.174 -20.053 40.878 1.00 0.00 S ATOM 0 H CYS B 43 87.190 -19.794 40.428 1.00 0.00 H new ATOM 0 HA CYS B 43 88.524 -18.676 42.788 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.939 -18.296 39.779 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.004 -17.650 41.011 1.00 0.00 H new ATOM 0 HG CYS B 43 91.158 -20.062 40.029 1.00 0.00 H new ATOM 1498 N GLN B 44 86.491 -16.850 41.019 1.00 0.00 N ATOM 1499 CA GLN B 44 85.850 -15.503 40.991 1.00 0.00 C ATOM 1500 C GLN B 44 85.100 -15.244 42.301 1.00 0.00 C ATOM 1501 O GLN B 44 85.374 -14.294 43.006 1.00 0.00 O ATOM 1502 CB GLN B 44 84.874 -15.435 39.817 1.00 0.00 C ATOM 1503 CG GLN B 44 84.305 -14.021 39.699 1.00 0.00 C ATOM 1504 CD GLN B 44 83.369 -13.955 38.491 1.00 0.00 C ATOM 1505 OE1 GLN B 44 82.680 -14.910 38.190 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.314 -12.861 37.783 1.00 0.00 N ATOM 0 H GLN B 44 86.077 -17.543 40.395 1.00 0.00 H new ATOM 0 HA GLN B 44 86.622 -14.742 40.874 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.382 -15.711 38.893 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.065 -16.151 39.962 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.765 -13.757 40.608 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.114 -13.299 39.587 1.00 0.00 H new ATOM 0 HE21 GLN B 44 83.892 -12.060 38.036 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.692 -12.806 36.976 1.00 0.00 H new ATOM 1515 N LEU B 45 84.156 -16.079 42.634 1.00 0.00 N ATOM 1516 CA LEU B 45 83.391 -15.880 43.902 1.00 0.00 C ATOM 1517 C LEU B 45 84.149 -16.528 45.062 1.00 0.00 C ATOM 1518 O LEU B 45 84.667 -17.620 44.942 1.00 0.00 O ATOM 1519 CB LEU B 45 82.012 -16.540 43.780 1.00 0.00 C ATOM 1520 CG LEU B 45 81.222 -15.914 42.625 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.886 -16.652 42.478 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.959 -14.423 42.911 1.00 0.00 C ATOM 0 H LEU B 45 83.879 -16.892 42.084 1.00 0.00 H new ATOM 0 HA LEU B 45 83.274 -14.812 44.086 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.128 -17.611 43.612 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.461 -16.421 44.713 1.00 0.00 H new ATOM 0 HG LEU B 45 81.798 -15.999 41.703 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.316 -16.214 41.658 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.073 -17.705 42.267 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.317 -16.563 43.404 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.397 -13.988 42.085 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.384 -14.325 43.832 1.00 0.00 H new ATOM 0 HD23 LEU B 45 81.909 -13.900 43.019 1.00 0.00 H new