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: A 44 GLN :FLIP amide:sc= -0.486 X(o=-1.3,f=-1.1) USER MOD Set 1.2: B 44 GLN :FLIP amide:sc= -0.648 F(o=-1.8,f=-1.1) USER MOD Set 2.1: B 12 CYS SG : rot 150:sc= 0 USER MOD Set 2.2: B 40 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 12 CYS SG : rot 150:sc= 0 USER MOD Set 3.2: A 40 CYS SG : rot 180:sc= 0 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 141:sc= 1.01 (180deg=0.416) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.058 (180deg=-0.453) USER MOD Single : A 9 GLN : amide:sc= -0.0211 K(o=-0.021,f=-2.1!) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0215 (180deg=-0.355) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -2.77! C(o=-2.8!,f=-2.6!) USER MOD Single : A 17 SER OG : rot -25:sc= 0.269 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl 148:sc= -0.176 (180deg=-1.1) USER MOD Single : A 24 SER OG : rot 77:sc= 0.278 USER MOD Single : A 27 ASN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 69:sc= 0.228 USER MOD Single : A 42 LYS NZ :NH3+ 160:sc= -0.0521 (180deg=-0.5) USER MOD Single : B 1 PHE N :NH3+ -102:sc= 0.988 (180deg=0.481) USER MOD Single : B 7 LYS NZ :NH3+ 162:sc= -0.0638 (180deg=-0.457) USER MOD Single : B 9 GLN : amide:sc= -0.0289 K(o=-0.029,f=-2.1!) USER MOD Single : B 14 LYS NZ :NH3+ 162:sc= -0.0303 (180deg=-0.325) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 HIS : no HD1:sc= -2.85! C(o=-2.9!,f=-2.6!) USER MOD Single : B 17 SER OG : rot -25:sc= 0.253 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 MET CE :methyl 158:sc= -0.139 (180deg=-1.2) USER MOD Single : B 24 SER OG : rot 75:sc= 0.264 USER MOD Single : B 27 ASN : amide:sc= -0.315 X(o=-0.31,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= 0.23 USER MOD Single : B 42 LYS NZ :NH3+ 159:sc= -0.0861 (180deg=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.557 -4.356 24.044 1.00 0.00 N ATOM 2 CA PHE A 1 95.311 -3.634 25.323 1.00 0.00 C ATOM 3 C PHE A 1 95.413 -2.133 25.072 1.00 0.00 C ATOM 4 O PHE A 1 96.489 -1.582 24.939 1.00 0.00 O ATOM 5 CB PHE A 1 96.345 -4.079 26.355 1.00 0.00 C ATOM 6 CG PHE A 1 96.538 -5.576 26.234 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.500 -6.444 26.596 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.744 -6.098 25.743 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.666 -7.829 26.471 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.909 -7.486 25.616 1.00 0.00 C ATOM 11 CZ PHE A 1 96.869 -8.348 25.980 1.00 0.00 C ATOM 0 H1 PHE A 1 96.121 -5.210 24.230 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.648 -4.627 23.618 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.075 -3.736 23.389 1.00 0.00 H new ATOM 0 HA PHE A 1 94.315 -3.862 25.704 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.290 -3.562 26.190 1.00 0.00 H new ATOM 0 HB3 PHE A 1 96.011 -3.821 27.360 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.570 -6.044 26.972 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.546 -5.431 25.463 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.865 -8.496 26.754 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.837 -7.888 25.238 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.995 -9.416 25.882 1.00 0.00 H new ATOM 23 N LEU A 2 94.288 -1.473 24.977 1.00 0.00 N ATOM 24 CA LEU A 2 94.283 -0.003 24.699 1.00 0.00 C ATOM 25 C LEU A 2 94.008 0.798 25.964 1.00 0.00 C ATOM 26 O LEU A 2 93.195 0.435 26.781 1.00 0.00 O ATOM 27 CB LEU A 2 93.201 0.316 23.664 1.00 0.00 C ATOM 28 CG LEU A 2 93.460 -0.458 22.365 1.00 0.00 C ATOM 29 CD1 LEU A 2 92.364 -0.112 21.352 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.837 -0.088 21.786 1.00 0.00 C ATOM 0 H LEU A 2 93.364 -1.892 25.081 1.00 0.00 H new ATOM 0 HA LEU A 2 95.267 0.273 24.320 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.220 0.055 24.061 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.188 1.387 23.461 1.00 0.00 H new ATOM 0 HG LEU A 2 93.448 -1.527 22.575 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.540 -0.658 20.425 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.392 -0.391 21.758 1.00 0.00 H new ATOM 0 HD13 LEU A 2 92.379 0.959 21.151 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.006 -0.645 20.865 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.867 0.981 21.574 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.614 -0.337 22.508 1.00 0.00 H new ATOM 42 N ASP A 3 94.676 1.907 26.103 1.00 0.00 N ATOM 43 CA ASP A 3 94.457 2.775 27.291 1.00 0.00 C ATOM 44 C ASP A 3 92.993 3.213 27.311 1.00 0.00 C ATOM 45 O ASP A 3 92.363 3.266 28.349 1.00 0.00 O ATOM 46 CB ASP A 3 95.366 4.005 27.208 1.00 0.00 C ATOM 47 CG ASP A 3 96.819 3.582 27.438 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.023 2.485 27.932 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.701 4.361 27.118 1.00 0.00 O ATOM 0 H ASP A 3 95.370 2.252 25.439 1.00 0.00 H new ATOM 0 HA ASP A 3 94.693 2.226 28.202 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.264 4.480 26.232 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.068 4.742 27.954 1.00 0.00 H new ATOM 54 N GLY A 4 92.443 3.524 26.166 1.00 0.00 N ATOM 55 CA GLY A 4 91.013 3.950 26.112 1.00 0.00 C ATOM 56 C GLY A 4 90.162 2.963 26.912 1.00 0.00 C ATOM 57 O GLY A 4 89.020 3.226 27.232 1.00 0.00 O ATOM 0 H GLY A 4 92.922 3.501 25.266 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.905 4.955 26.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.671 3.988 25.078 1.00 0.00 H new ATOM 61 N ILE A 5 90.722 1.834 27.257 1.00 0.00 N ATOM 62 CA ILE A 5 89.966 0.834 28.057 1.00 0.00 C ATOM 63 C ILE A 5 89.563 1.481 29.382 1.00 0.00 C ATOM 64 O ILE A 5 88.500 1.228 29.913 1.00 0.00 O ATOM 65 CB ILE A 5 90.853 -0.398 28.300 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.912 -1.236 27.019 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.285 -1.249 29.446 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.010 -2.296 27.145 1.00 0.00 C ATOM 0 H ILE A 5 91.675 1.563 27.017 1.00 0.00 H new ATOM 0 HA ILE A 5 89.070 0.513 27.526 1.00 0.00 H new ATOM 0 HB ILE A 5 91.855 -0.067 28.574 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.949 -1.715 26.842 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.111 -0.593 26.161 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.924 -2.117 29.606 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.248 -0.653 30.358 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.279 -1.581 29.189 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.049 -2.890 26.232 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.972 -1.807 27.301 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.792 -2.947 27.992 1.00 0.00 H new ATOM 80 N ASP A 6 90.404 2.320 29.911 1.00 0.00 N ATOM 81 CA ASP A 6 90.078 2.997 31.192 1.00 0.00 C ATOM 82 C ASP A 6 88.795 3.811 31.005 1.00 0.00 C ATOM 83 O ASP A 6 87.962 3.887 31.885 1.00 0.00 O ATOM 84 CB ASP A 6 91.228 3.925 31.585 1.00 0.00 C ATOM 85 CG ASP A 6 90.917 4.592 32.925 1.00 0.00 C ATOM 86 OD1 ASP A 6 89.768 4.547 33.334 1.00 0.00 O ATOM 87 OD2 ASP A 6 91.834 5.136 33.519 1.00 0.00 O ATOM 0 H ASP A 6 91.308 2.567 29.509 1.00 0.00 H new ATOM 0 HA ASP A 6 89.933 2.258 31.980 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.157 3.359 31.657 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.375 4.683 30.816 1.00 0.00 H new ATOM 92 N LYS A 7 88.632 4.421 29.863 1.00 0.00 N ATOM 93 CA LYS A 7 87.402 5.229 29.618 1.00 0.00 C ATOM 94 C LYS A 7 86.179 4.310 29.693 1.00 0.00 C ATOM 95 O LYS A 7 85.150 4.670 30.229 1.00 0.00 O ATOM 96 CB LYS A 7 87.474 5.852 28.218 1.00 0.00 C ATOM 97 CG LYS A 7 86.235 6.721 27.972 1.00 0.00 C ATOM 98 CD LYS A 7 86.312 7.340 26.576 1.00 0.00 C ATOM 99 CE LYS A 7 85.049 8.165 26.313 1.00 0.00 C ATOM 100 NZ LYS A 7 84.981 9.297 27.281 1.00 0.00 N ATOM 0 H LYS A 7 89.296 4.395 29.089 1.00 0.00 H new ATOM 0 HA LYS A 7 87.324 6.017 30.367 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.377 6.455 28.124 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.535 5.068 27.464 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.331 6.118 28.064 1.00 0.00 H new ATOM 0 HG3 LYS A 7 86.173 7.506 28.726 1.00 0.00 H new ATOM 0 HD2 LYS A 7 87.196 7.973 26.495 1.00 0.00 H new ATOM 0 HD3 LYS A 7 86.411 6.557 25.824 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.058 8.546 25.292 1.00 0.00 H new ATOM 0 HE3 LYS A 7 84.164 7.536 26.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 84.331 10.024 26.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.636 8.949 28.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.929 9.708 27.401 1.00 0.00 H new ATOM 114 N ALA A 8 86.289 3.126 29.159 1.00 0.00 N ATOM 115 CA ALA A 8 85.142 2.177 29.195 1.00 0.00 C ATOM 116 C ALA A 8 84.766 1.875 30.647 1.00 0.00 C ATOM 117 O ALA A 8 83.608 1.704 30.977 1.00 0.00 O ATOM 118 CB ALA A 8 85.534 0.878 28.489 1.00 0.00 C ATOM 0 H ALA A 8 87.127 2.773 28.697 1.00 0.00 H new ATOM 0 HA ALA A 8 84.287 2.625 28.688 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.695 0.182 28.515 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.796 1.092 27.453 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.390 0.433 28.996 1.00 0.00 H new ATOM 124 N GLN A 9 85.736 1.790 31.517 1.00 0.00 N ATOM 125 CA GLN A 9 85.434 1.478 32.943 1.00 0.00 C ATOM 126 C GLN A 9 84.516 2.558 33.521 1.00 0.00 C ATOM 127 O GLN A 9 83.593 2.273 34.260 1.00 0.00 O ATOM 128 CB GLN A 9 86.739 1.457 33.741 1.00 0.00 C ATOM 129 CG GLN A 9 87.567 0.236 33.341 1.00 0.00 C ATOM 130 CD GLN A 9 88.958 0.339 33.968 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.384 1.409 34.356 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.691 -0.734 34.082 1.00 0.00 N ATOM 0 H GLN A 9 86.724 1.923 31.302 1.00 0.00 H new ATOM 0 HA GLN A 9 84.943 0.507 33.005 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.305 2.370 33.555 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.523 1.428 34.809 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.073 -0.677 33.673 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.649 0.178 32.256 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.334 -1.632 33.757 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.621 -0.675 34.497 1.00 0.00 H new ATOM 141 N GLU A 10 84.763 3.794 33.192 1.00 0.00 N ATOM 142 CA GLU A 10 83.911 4.895 33.722 1.00 0.00 C ATOM 143 C GLU A 10 82.461 4.697 33.273 1.00 0.00 C ATOM 144 O GLU A 10 81.533 4.938 34.019 1.00 0.00 O ATOM 145 CB GLU A 10 84.433 6.241 33.210 1.00 0.00 C ATOM 146 CG GLU A 10 85.772 6.556 33.881 1.00 0.00 C ATOM 147 CD GLU A 10 86.299 7.899 33.374 1.00 0.00 C ATOM 148 OE1 GLU A 10 85.718 8.428 32.442 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.280 8.373 33.923 1.00 0.00 O ATOM 0 H GLU A 10 85.521 4.091 32.577 1.00 0.00 H new ATOM 0 HA GLU A 10 83.949 4.884 34.811 1.00 0.00 H new ATOM 0 HB2 GLU A 10 84.555 6.208 32.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 83.711 7.029 33.426 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.649 6.588 34.964 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.492 5.767 33.665 1.00 0.00 H new ATOM 156 N GLU A 11 82.257 4.278 32.051 1.00 0.00 N ATOM 157 CA GLU A 11 80.864 4.084 31.535 1.00 0.00 C ATOM 158 C GLU A 11 80.459 2.607 31.628 1.00 0.00 C ATOM 159 O GLU A 11 79.443 2.204 31.099 1.00 0.00 O ATOM 160 CB GLU A 11 80.808 4.519 30.070 1.00 0.00 C ATOM 161 CG GLU A 11 81.201 5.995 29.954 1.00 0.00 C ATOM 162 CD GLU A 11 80.161 6.862 30.665 1.00 0.00 C ATOM 163 OE1 GLU A 11 79.008 6.815 30.268 1.00 0.00 O ATOM 164 OE2 GLU A 11 80.536 7.562 31.591 1.00 0.00 O ATOM 0 H GLU A 11 82.997 4.060 31.384 1.00 0.00 H new ATOM 0 HA GLU A 11 80.179 4.681 32.137 1.00 0.00 H new ATOM 0 HB2 GLU A 11 81.482 3.905 29.472 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.804 4.368 29.674 1.00 0.00 H new ATOM 0 HG2 GLU A 11 82.185 6.155 30.395 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.271 6.281 28.905 1.00 0.00 H new ATOM 171 N CYS A 12 81.238 1.792 32.288 1.00 0.00 N ATOM 172 CA CYS A 12 80.877 0.345 32.396 1.00 0.00 C ATOM 173 C CYS A 12 79.414 0.209 32.823 1.00 0.00 C ATOM 174 O CYS A 12 78.681 -0.617 32.315 1.00 0.00 O ATOM 175 CB CYS A 12 81.769 -0.331 33.438 1.00 0.00 C ATOM 176 SG CYS A 12 81.243 -2.050 33.656 1.00 0.00 S ATOM 0 H CYS A 12 82.104 2.062 32.755 1.00 0.00 H new ATOM 0 HA CYS A 12 81.020 -0.132 31.426 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.811 -0.296 33.119 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.708 0.203 34.386 1.00 0.00 H new ATOM 0 HG CYS A 12 82.268 -2.779 33.985 1.00 0.00 H new ATOM 181 N GLU A 13 78.988 1.010 33.757 1.00 0.00 N ATOM 182 CA GLU A 13 77.577 0.936 34.229 1.00 0.00 C ATOM 183 C GLU A 13 76.627 1.231 33.066 1.00 0.00 C ATOM 184 O GLU A 13 75.548 0.678 32.974 1.00 0.00 O ATOM 185 CB GLU A 13 77.360 1.966 35.340 1.00 0.00 C ATOM 186 CG GLU A 13 78.127 1.540 36.595 1.00 0.00 C ATOM 187 CD GLU A 13 77.497 0.276 37.184 1.00 0.00 C ATOM 188 OE1 GLU A 13 76.355 -0.001 36.854 1.00 0.00 O ATOM 189 OE2 GLU A 13 78.168 -0.396 37.949 1.00 0.00 O ATOM 0 H GLU A 13 79.560 1.718 34.218 1.00 0.00 H new ATOM 0 HA GLU A 13 77.375 -0.064 34.612 1.00 0.00 H new ATOM 0 HB2 GLU A 13 77.699 2.948 35.010 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.297 2.055 35.564 1.00 0.00 H new ATOM 0 HG2 GLU A 13 79.172 1.355 36.348 1.00 0.00 H new ATOM 0 HG3 GLU A 13 78.111 2.343 37.332 1.00 0.00 H new ATOM 196 N LYS A 14 77.011 2.116 32.189 1.00 0.00 N ATOM 197 CA LYS A 14 76.131 2.473 31.041 1.00 0.00 C ATOM 198 C LYS A 14 75.848 1.232 30.186 1.00 0.00 C ATOM 199 O LYS A 14 74.760 1.062 29.673 1.00 0.00 O ATOM 200 CB LYS A 14 76.817 3.545 30.189 1.00 0.00 C ATOM 201 CG LYS A 14 75.884 3.983 29.056 1.00 0.00 C ATOM 202 CD LYS A 14 76.574 5.053 28.210 1.00 0.00 C ATOM 203 CE LYS A 14 75.642 5.490 27.078 1.00 0.00 C ATOM 204 NZ LYS A 14 74.467 6.208 27.648 1.00 0.00 N ATOM 0 H LYS A 14 77.903 2.611 32.218 1.00 0.00 H new ATOM 0 HA LYS A 14 75.185 2.859 31.421 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.079 4.403 30.809 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.747 3.154 29.776 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.622 3.126 28.435 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.954 4.374 29.468 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.835 5.910 28.831 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.504 4.662 27.798 1.00 0.00 H new ATOM 0 HE2 LYS A 14 76.176 6.139 26.384 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.310 4.621 26.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 74.012 6.774 26.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.786 5.517 28.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.782 6.835 28.416 1.00 0.00 H new ATOM 218 N TYR A 15 76.813 0.367 30.014 1.00 0.00 N ATOM 219 CA TYR A 15 76.577 -0.848 29.178 1.00 0.00 C ATOM 220 C TYR A 15 75.932 -1.945 30.032 1.00 0.00 C ATOM 221 O TYR A 15 75.318 -2.858 29.518 1.00 0.00 O ATOM 222 CB TYR A 15 77.910 -1.362 28.630 1.00 0.00 C ATOM 223 CG TYR A 15 78.514 -0.335 27.701 1.00 0.00 C ATOM 224 CD1 TYR A 15 78.205 -0.359 26.335 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.387 0.636 28.204 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.769 0.590 25.474 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.953 1.584 27.340 1.00 0.00 C ATOM 228 CZ TYR A 15 79.643 1.561 25.976 1.00 0.00 C ATOM 229 OH TYR A 15 80.200 2.493 25.125 1.00 0.00 O ATOM 0 H TYR A 15 77.748 0.448 30.413 1.00 0.00 H new ATOM 0 HA TYR A 15 75.915 -0.589 28.352 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.595 -1.569 29.452 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.757 -2.301 28.098 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.532 -1.109 25.946 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.625 0.655 29.257 1.00 0.00 H new ATOM 0 HE1 TYR A 15 78.529 0.573 24.421 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.629 2.332 27.728 1.00 0.00 H new ATOM 0 HH TYR A 15 80.782 3.095 25.635 1.00 0.00 H new ATOM 239 N HIS A 16 76.064 -1.860 31.329 1.00 0.00 N ATOM 240 CA HIS A 16 75.452 -2.890 32.218 1.00 0.00 C ATOM 241 C HIS A 16 75.990 -4.279 31.859 1.00 0.00 C ATOM 242 O HIS A 16 77.178 -4.472 31.689 1.00 0.00 O ATOM 243 CB HIS A 16 73.927 -2.872 32.064 1.00 0.00 C ATOM 244 CG HIS A 16 73.424 -1.461 32.196 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.408 -0.791 33.412 1.00 0.00 N ATOM 246 CD2 HIS A 16 72.917 -0.581 31.274 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.905 0.438 33.190 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.591 0.614 31.906 1.00 0.00 N ATOM 0 H HIS A 16 76.571 -1.119 31.813 1.00 0.00 H new ATOM 0 HA HIS A 16 75.711 -2.663 33.252 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.644 -3.280 31.094 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.467 -3.505 32.823 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.791 -0.785 30.221 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.772 1.188 33.956 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.195 1.450 31.477 1.00 0.00 H new ATOM 257 N SER A 17 75.122 -5.250 31.754 1.00 0.00 N ATOM 258 CA SER A 17 75.573 -6.633 31.420 1.00 0.00 C ATOM 259 C SER A 17 75.760 -6.773 29.908 1.00 0.00 C ATOM 260 O SER A 17 76.243 -7.778 29.426 1.00 0.00 O ATOM 261 CB SER A 17 74.520 -7.636 31.895 1.00 0.00 C ATOM 262 OG SER A 17 75.028 -8.956 31.748 1.00 0.00 O ATOM 0 H SER A 17 74.116 -5.144 31.886 1.00 0.00 H new ATOM 0 HA SER A 17 76.523 -6.829 31.917 1.00 0.00 H new ATOM 0 HB2 SER A 17 74.265 -7.446 32.938 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.604 -7.520 31.316 1.00 0.00 H new ATOM 0 HG SER A 17 75.709 -8.968 31.044 1.00 0.00 H new ATOM 268 N ASN A 18 75.382 -5.780 29.150 1.00 0.00 N ATOM 269 CA ASN A 18 75.542 -5.872 27.671 1.00 0.00 C ATOM 270 C ASN A 18 76.993 -5.558 27.298 1.00 0.00 C ATOM 271 O ASN A 18 77.289 -4.528 26.726 1.00 0.00 O ATOM 272 CB ASN A 18 74.614 -4.859 26.992 1.00 0.00 C ATOM 273 CG ASN A 18 73.174 -5.372 27.032 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.455 -5.128 27.981 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.718 -6.073 26.030 1.00 0.00 N ATOM 0 H ASN A 18 74.970 -4.911 29.490 1.00 0.00 H new ATOM 0 HA ASN A 18 75.287 -6.879 27.340 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.681 -3.895 27.496 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.925 -4.701 25.959 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.758 -6.416 26.043 1.00 0.00 H new ATOM 0 HD22 ASN A 18 73.322 -6.277 25.234 1.00 0.00 H new ATOM 282 N TRP A 19 77.900 -6.442 27.613 1.00 0.00 N ATOM 283 CA TRP A 19 79.330 -6.198 27.274 1.00 0.00 C ATOM 284 C TRP A 19 79.518 -6.291 25.758 1.00 0.00 C ATOM 285 O TRP A 19 80.437 -5.724 25.200 1.00 0.00 O ATOM 286 CB TRP A 19 80.205 -7.250 27.960 1.00 0.00 C ATOM 287 CG TRP A 19 79.809 -8.613 27.488 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.847 -9.379 28.051 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.347 -9.382 26.373 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.758 -10.569 27.351 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.662 -10.618 26.308 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.351 -9.129 25.421 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.963 -11.570 25.333 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.656 -10.085 24.437 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.962 -11.303 24.394 1.00 0.00 C ATOM 0 H TRP A 19 77.712 -7.323 28.091 1.00 0.00 H new ATOM 0 HA TRP A 19 79.619 -5.205 27.617 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.256 -7.067 27.736 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.094 -7.182 29.042 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.247 -9.106 28.907 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.104 -11.319 27.578 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.891 -8.194 25.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.427 -12.507 25.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 82.429 -9.881 23.710 1.00 0.00 H new ATOM 0 HH2 TRP A 19 81.200 -12.034 23.635 1.00 0.00 H new ATOM 306 N ARG A 20 78.661 -7.014 25.086 1.00 0.00 N ATOM 307 CA ARG A 20 78.797 -7.155 23.608 1.00 0.00 C ATOM 308 C ARG A 20 78.702 -5.785 22.934 1.00 0.00 C ATOM 309 O ARG A 20 79.422 -5.494 21.999 1.00 0.00 O ATOM 310 CB ARG A 20 77.683 -8.054 23.074 1.00 0.00 C ATOM 311 CG ARG A 20 77.924 -9.494 23.529 1.00 0.00 C ATOM 312 CD ARG A 20 76.818 -10.392 22.974 1.00 0.00 C ATOM 313 NE ARG A 20 77.035 -11.791 23.439 1.00 0.00 N ATOM 314 CZ ARG A 20 76.080 -12.671 23.317 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.952 -12.333 22.756 1.00 0.00 N ATOM 316 NH2 ARG A 20 76.256 -13.889 23.748 1.00 0.00 N ATOM 0 H ARG A 20 77.873 -7.513 25.498 1.00 0.00 H new ATOM 0 HA ARG A 20 79.768 -7.597 23.386 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.716 -7.705 23.435 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.653 -8.006 21.985 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.897 -9.839 23.181 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.938 -9.546 24.618 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.843 -10.034 23.306 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.817 -10.355 21.885 1.00 0.00 H new ATOM 0 HE ARG A 20 77.928 -12.060 23.852 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.818 -11.382 22.413 1.00 0.00 H new ATOM 0 HH12 ARG A 20 74.204 -13.020 22.660 1.00 0.00 H new ATOM 0 HH21 ARG A 20 77.141 -14.154 24.181 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.509 -14.577 23.652 1.00 0.00 H new ATOM 330 N ALA A 21 77.822 -4.942 23.393 1.00 0.00 N ATOM 331 CA ALA A 21 77.690 -3.597 22.768 1.00 0.00 C ATOM 332 C ALA A 21 78.977 -2.809 23.006 1.00 0.00 C ATOM 333 O ALA A 21 79.499 -2.163 22.120 1.00 0.00 O ATOM 334 CB ALA A 21 76.510 -2.853 23.398 1.00 0.00 C ATOM 0 H ALA A 21 77.189 -5.125 24.172 1.00 0.00 H new ATOM 0 HA ALA A 21 77.516 -3.704 21.697 1.00 0.00 H new ATOM 0 HB1 ALA A 21 76.414 -1.869 22.940 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.593 -3.420 23.235 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.681 -2.740 24.469 1.00 0.00 H new ATOM 340 N MET A 22 79.495 -2.864 24.201 1.00 0.00 N ATOM 341 CA MET A 22 80.752 -2.129 24.507 1.00 0.00 C ATOM 342 C MET A 22 81.882 -2.644 23.609 1.00 0.00 C ATOM 343 O MET A 22 82.647 -1.878 23.058 1.00 0.00 O ATOM 344 CB MET A 22 81.110 -2.343 25.980 1.00 0.00 C ATOM 345 CG MET A 22 82.399 -1.596 26.316 1.00 0.00 C ATOM 346 SD MET A 22 82.592 -1.508 28.114 1.00 0.00 S ATOM 347 CE MET A 22 82.597 -3.288 28.436 1.00 0.00 C ATOM 0 H MET A 22 79.100 -3.389 24.981 1.00 0.00 H new ATOM 0 HA MET A 22 80.613 -1.064 24.320 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.298 -1.989 26.616 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.233 -3.407 26.182 1.00 0.00 H new ATOM 0 HG2 MET A 22 83.254 -2.106 25.872 1.00 0.00 H new ATOM 0 HG3 MET A 22 82.371 -0.592 25.893 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.233 -3.500 29.296 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.581 -3.623 28.645 1.00 0.00 H new ATOM 0 HE3 MET A 22 82.980 -3.815 27.562 1.00 0.00 H new ATOM 357 N ALA A 23 81.990 -3.936 23.451 1.00 0.00 N ATOM 358 CA ALA A 23 83.067 -4.495 22.583 1.00 0.00 C ATOM 359 C ALA A 23 82.902 -3.960 21.157 1.00 0.00 C ATOM 360 O ALA A 23 83.861 -3.630 20.491 1.00 0.00 O ATOM 361 CB ALA A 23 82.966 -6.023 22.569 1.00 0.00 C ATOM 0 H ALA A 23 81.379 -4.628 23.885 1.00 0.00 H new ATOM 0 HA ALA A 23 84.041 -4.197 22.972 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.752 -6.434 21.935 1.00 0.00 H new ATOM 0 HB2 ALA A 23 83.081 -6.405 23.584 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.993 -6.320 22.178 1.00 0.00 H new ATOM 367 N SER A 24 81.687 -3.880 20.684 1.00 0.00 N ATOM 368 CA SER A 24 81.445 -3.374 19.301 1.00 0.00 C ATOM 369 C SER A 24 81.818 -1.893 19.206 1.00 0.00 C ATOM 370 O SER A 24 82.335 -1.437 18.204 1.00 0.00 O ATOM 371 CB SER A 24 79.968 -3.547 18.948 1.00 0.00 C ATOM 372 OG SER A 24 79.635 -4.928 18.976 1.00 0.00 O ATOM 0 H SER A 24 80.847 -4.145 21.199 1.00 0.00 H new ATOM 0 HA SER A 24 82.062 -3.941 18.604 1.00 0.00 H new ATOM 0 HB2 SER A 24 79.347 -2.997 19.655 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.768 -3.133 17.960 1.00 0.00 H new ATOM 0 HG SER A 24 79.542 -5.223 19.906 1.00 0.00 H new ATOM 378 N ASP A 25 81.543 -1.135 20.231 1.00 0.00 N ATOM 379 CA ASP A 25 81.862 0.321 20.191 1.00 0.00 C ATOM 380 C ASP A 25 83.376 0.512 20.209 1.00 0.00 C ATOM 381 O ASP A 25 83.922 1.318 19.483 1.00 0.00 O ATOM 382 CB ASP A 25 81.259 0.994 21.421 1.00 0.00 C ATOM 383 CG ASP A 25 81.326 2.514 21.263 1.00 0.00 C ATOM 384 OD1 ASP A 25 82.186 2.977 20.531 1.00 0.00 O ATOM 385 OD2 ASP A 25 80.519 3.190 21.880 1.00 0.00 O ATOM 0 H ASP A 25 81.111 -1.461 21.096 1.00 0.00 H new ATOM 0 HA ASP A 25 81.450 0.762 19.283 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.224 0.678 21.550 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.800 0.688 22.317 1.00 0.00 H new ATOM 390 N PHE A 26 84.057 -0.233 21.032 1.00 0.00 N ATOM 391 CA PHE A 26 85.547 -0.115 21.104 1.00 0.00 C ATOM 392 C PHE A 26 86.183 -1.169 20.193 1.00 0.00 C ATOM 393 O PHE A 26 87.387 -1.229 20.040 1.00 0.00 O ATOM 394 CB PHE A 26 86.001 -0.326 22.550 1.00 0.00 C ATOM 395 CG PHE A 26 85.602 0.872 23.383 1.00 0.00 C ATOM 396 CD1 PHE A 26 84.337 0.923 23.979 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.502 1.933 23.564 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.969 2.032 24.752 1.00 0.00 C ATOM 399 CE2 PHE A 26 86.134 3.040 24.337 1.00 0.00 C ATOM 400 CZ PHE A 26 84.869 3.090 24.931 1.00 0.00 C ATOM 0 H PHE A 26 83.648 -0.923 21.662 1.00 0.00 H new ATOM 0 HA PHE A 26 85.858 0.876 20.773 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.550 -1.231 22.956 1.00 0.00 H new ATOM 0 HB3 PHE A 26 87.082 -0.465 22.587 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.643 0.106 23.843 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.480 1.895 23.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.992 2.071 25.210 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.828 3.856 24.475 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.586 3.945 25.528 1.00 0.00 H new ATOM 410 N ASN A 27 85.377 -1.991 19.574 1.00 0.00 N ATOM 411 CA ASN A 27 85.917 -3.035 18.655 1.00 0.00 C ATOM 412 C ASN A 27 86.997 -3.865 19.356 1.00 0.00 C ATOM 413 O ASN A 27 88.074 -4.064 18.830 1.00 0.00 O ATOM 414 CB ASN A 27 86.508 -2.358 17.416 1.00 0.00 C ATOM 415 CG ASN A 27 85.389 -1.663 16.640 1.00 0.00 C ATOM 416 OD1 ASN A 27 85.495 -0.498 16.309 1.00 0.00 O ATOM 417 ND2 ASN A 27 84.312 -2.334 16.335 1.00 0.00 N ATOM 0 H ASN A 27 84.361 -1.984 19.667 1.00 0.00 H new ATOM 0 HA ASN A 27 85.107 -3.702 18.362 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.267 -1.633 17.710 1.00 0.00 H new ATOM 0 HB3 ASN A 27 87.001 -3.097 16.784 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.558 -1.881 15.818 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.224 -3.311 16.613 1.00 0.00 H new ATOM 424 N LEU A 28 86.710 -4.357 20.537 1.00 0.00 N ATOM 425 CA LEU A 28 87.708 -5.189 21.293 1.00 0.00 C ATOM 426 C LEU A 28 87.133 -6.600 21.505 1.00 0.00 C ATOM 427 O LEU A 28 85.933 -6.775 21.570 1.00 0.00 O ATOM 428 CB LEU A 28 87.954 -4.543 22.663 1.00 0.00 C ATOM 429 CG LEU A 28 88.752 -3.238 22.502 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.617 -2.403 23.779 1.00 0.00 C ATOM 431 CD2 LEU A 28 90.241 -3.543 22.251 1.00 0.00 C ATOM 0 H LEU A 28 85.820 -4.218 21.016 1.00 0.00 H new ATOM 0 HA LEU A 28 88.641 -5.250 20.732 1.00 0.00 H new ATOM 0 HB2 LEU A 28 87.002 -4.337 23.152 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.499 -5.234 23.306 1.00 0.00 H new ATOM 0 HG LEU A 28 88.356 -2.687 21.649 1.00 0.00 H new ATOM 0 HD11 LEU A 28 89.181 -1.477 23.669 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.566 -2.170 23.952 1.00 0.00 H new ATOM 0 HD13 LEU A 28 89.007 -2.968 24.626 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.790 -2.608 22.140 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.645 -4.103 23.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.343 -4.134 21.341 1.00 0.00 H new ATOM 443 N PRO A 29 87.979 -7.601 21.626 1.00 0.00 N ATOM 444 CA PRO A 29 87.525 -9.010 21.851 1.00 0.00 C ATOM 445 C PRO A 29 86.930 -9.192 23.254 1.00 0.00 C ATOM 446 O PRO A 29 87.161 -8.388 24.136 1.00 0.00 O ATOM 447 CB PRO A 29 88.812 -9.837 21.684 1.00 0.00 C ATOM 448 CG PRO A 29 89.918 -8.893 22.027 1.00 0.00 C ATOM 449 CD PRO A 29 89.453 -7.515 21.559 1.00 0.00 C ATOM 0 HA PRO A 29 86.735 -9.310 21.162 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.813 -10.705 22.344 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.913 -10.211 20.665 1.00 0.00 H new ATOM 0 HG2 PRO A 29 90.115 -8.895 23.099 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.845 -9.181 21.532 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.837 -6.723 22.202 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.796 -7.299 20.547 1.00 0.00 H new ATOM 457 N PRO A 30 86.163 -10.232 23.458 1.00 0.00 N ATOM 458 CA PRO A 30 85.519 -10.507 24.777 1.00 0.00 C ATOM 459 C PRO A 30 86.550 -10.568 25.912 1.00 0.00 C ATOM 460 O PRO A 30 86.220 -10.393 27.068 1.00 0.00 O ATOM 461 CB PRO A 30 84.814 -11.868 24.580 1.00 0.00 C ATOM 462 CG PRO A 30 85.411 -12.451 23.334 1.00 0.00 C ATOM 463 CD PRO A 30 85.828 -11.265 22.469 1.00 0.00 C ATOM 0 HA PRO A 30 84.826 -9.718 25.068 1.00 0.00 H new ATOM 0 HB2 PRO A 30 84.977 -12.522 25.437 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.736 -11.741 24.477 1.00 0.00 H new ATOM 0 HG2 PRO A 30 86.268 -13.081 23.571 1.00 0.00 H new ATOM 0 HG3 PRO A 30 84.688 -13.079 22.812 1.00 0.00 H new ATOM 0 HD2 PRO A 30 86.681 -11.508 21.836 1.00 0.00 H new ATOM 0 HD3 PRO A 30 85.022 -10.945 21.809 1.00 0.00 H new ATOM 471 N VAL A 31 87.792 -10.812 25.593 1.00 0.00 N ATOM 472 CA VAL A 31 88.829 -10.875 26.660 1.00 0.00 C ATOM 473 C VAL A 31 88.890 -9.536 27.397 1.00 0.00 C ATOM 474 O VAL A 31 88.857 -9.482 28.610 1.00 0.00 O ATOM 475 CB VAL A 31 90.198 -11.180 26.034 1.00 0.00 C ATOM 476 CG1 VAL A 31 91.311 -10.997 27.083 1.00 0.00 C ATOM 477 CG2 VAL A 31 90.208 -12.627 25.529 1.00 0.00 C ATOM 0 H VAL A 31 88.132 -10.970 24.644 1.00 0.00 H new ATOM 0 HA VAL A 31 88.571 -11.665 27.365 1.00 0.00 H new ATOM 0 HB VAL A 31 90.375 -10.495 25.205 1.00 0.00 H new ATOM 0 HG11 VAL A 31 92.278 -11.216 26.630 1.00 0.00 H new ATOM 0 HG12 VAL A 31 91.304 -9.969 27.445 1.00 0.00 H new ATOM 0 HG13 VAL A 31 91.140 -11.677 27.918 1.00 0.00 H new ATOM 0 HG21 VAL A 31 91.177 -12.850 25.083 1.00 0.00 H new ATOM 0 HG22 VAL A 31 90.028 -13.305 26.363 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.426 -12.757 24.781 1.00 0.00 H new ATOM 487 N VAL A 32 88.984 -8.454 26.675 1.00 0.00 N ATOM 488 CA VAL A 32 89.054 -7.123 27.339 1.00 0.00 C ATOM 489 C VAL A 32 87.674 -6.719 27.864 1.00 0.00 C ATOM 490 O VAL A 32 87.543 -6.232 28.969 1.00 0.00 O ATOM 491 CB VAL A 32 89.545 -6.080 26.338 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.607 -4.713 27.019 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.938 -6.470 25.840 1.00 0.00 C ATOM 0 H VAL A 32 89.015 -8.434 25.656 1.00 0.00 H new ATOM 0 HA VAL A 32 89.747 -7.182 28.178 1.00 0.00 H new ATOM 0 HB VAL A 32 88.859 -6.032 25.492 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.957 -3.967 26.306 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.614 -4.438 27.374 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.294 -4.758 27.864 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.290 -5.726 25.125 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.626 -6.517 26.684 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.891 -7.445 25.356 1.00 0.00 H new ATOM 503 N ALA A 33 86.645 -6.906 27.082 1.00 0.00 N ATOM 504 CA ALA A 33 85.284 -6.516 27.547 1.00 0.00 C ATOM 505 C ALA A 33 84.936 -7.296 28.814 1.00 0.00 C ATOM 506 O ALA A 33 84.489 -6.739 29.796 1.00 0.00 O ATOM 507 CB ALA A 33 84.258 -6.821 26.454 1.00 0.00 C ATOM 0 H ALA A 33 86.688 -7.310 26.146 1.00 0.00 H new ATOM 0 HA ALA A 33 85.268 -5.448 27.764 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.264 -6.534 26.798 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.507 -6.258 25.554 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.271 -7.888 26.230 1.00 0.00 H new ATOM 513 N LYS A 34 85.144 -8.582 28.803 1.00 0.00 N ATOM 514 CA LYS A 34 84.833 -9.394 30.013 1.00 0.00 C ATOM 515 C LYS A 34 85.673 -8.884 31.185 1.00 0.00 C ATOM 516 O LYS A 34 85.214 -8.805 32.307 1.00 0.00 O ATOM 517 CB LYS A 34 85.183 -10.862 29.750 1.00 0.00 C ATOM 518 CG LYS A 34 84.204 -11.476 28.735 1.00 0.00 C ATOM 519 CD LYS A 34 82.862 -11.810 29.405 1.00 0.00 C ATOM 520 CE LYS A 34 82.053 -12.731 28.489 1.00 0.00 C ATOM 521 NZ LYS A 34 80.757 -13.069 29.142 1.00 0.00 N ATOM 0 H LYS A 34 85.515 -9.106 28.011 1.00 0.00 H new ATOM 0 HA LYS A 34 83.772 -9.308 30.247 1.00 0.00 H new ATOM 0 HB2 LYS A 34 86.203 -10.937 29.372 1.00 0.00 H new ATOM 0 HB3 LYS A 34 85.148 -11.423 30.684 1.00 0.00 H new ATOM 0 HG2 LYS A 34 84.042 -10.780 27.912 1.00 0.00 H new ATOM 0 HG3 LYS A 34 84.637 -12.380 28.307 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.033 -12.294 30.367 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.304 -10.895 29.604 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.873 -12.242 27.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.616 -13.641 28.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.207 -13.695 28.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.939 -13.552 30.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.219 -12.197 29.318 1.00 0.00 H new ATOM 535 N GLU A 35 86.908 -8.547 30.929 1.00 0.00 N ATOM 536 CA GLU A 35 87.795 -8.052 32.021 1.00 0.00 C ATOM 537 C GLU A 35 87.245 -6.744 32.597 1.00 0.00 C ATOM 538 O GLU A 35 87.274 -6.528 33.792 1.00 0.00 O ATOM 539 CB GLU A 35 89.202 -7.816 31.465 1.00 0.00 C ATOM 540 CG GLU A 35 90.168 -7.488 32.613 1.00 0.00 C ATOM 541 CD GLU A 35 89.990 -6.030 33.053 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.456 -5.254 32.278 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.396 -5.715 34.159 1.00 0.00 O ATOM 0 H GLU A 35 87.342 -8.593 30.007 1.00 0.00 H new ATOM 0 HA GLU A 35 87.834 -8.798 32.815 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.545 -8.702 30.931 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.186 -6.997 30.746 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.984 -8.155 33.455 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.196 -7.656 32.292 1.00 0.00 H new ATOM 550 N ILE A 36 86.743 -5.868 31.768 1.00 0.00 N ATOM 551 CA ILE A 36 86.199 -4.586 32.303 1.00 0.00 C ATOM 552 C ILE A 36 85.062 -4.920 33.269 1.00 0.00 C ATOM 553 O ILE A 36 84.954 -4.356 34.338 1.00 0.00 O ATOM 554 CB ILE A 36 85.679 -3.723 31.149 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.858 -3.279 30.273 1.00 0.00 C ATOM 556 CG2 ILE A 36 84.988 -2.478 31.707 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.347 -2.626 28.980 1.00 0.00 C ATOM 0 H ILE A 36 86.686 -5.982 30.756 1.00 0.00 H new ATOM 0 HA ILE A 36 86.978 -4.028 32.823 1.00 0.00 H new ATOM 0 HB ILE A 36 84.972 -4.305 30.559 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.482 -2.574 30.822 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.484 -4.138 30.032 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.619 -1.867 30.883 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.152 -2.778 32.339 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.700 -1.901 32.297 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.195 -2.316 28.369 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.742 -3.343 28.425 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.741 -1.755 29.227 1.00 0.00 H new ATOM 569 N VAL A 37 84.240 -5.868 32.913 1.00 0.00 N ATOM 570 CA VAL A 37 83.134 -6.284 33.820 1.00 0.00 C ATOM 571 C VAL A 37 83.760 -6.925 35.060 1.00 0.00 C ATOM 572 O VAL A 37 83.322 -6.717 36.174 1.00 0.00 O ATOM 573 CB VAL A 37 82.243 -7.297 33.096 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.254 -7.920 34.084 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.467 -6.583 31.986 1.00 0.00 C ATOM 0 H VAL A 37 84.287 -6.375 32.029 1.00 0.00 H new ATOM 0 HA VAL A 37 82.525 -5.428 34.110 1.00 0.00 H new ATOM 0 HB VAL A 37 82.865 -8.083 32.667 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.623 -8.640 33.562 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.803 -8.427 34.878 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.630 -7.138 34.517 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.831 -7.300 31.467 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.849 -5.798 32.421 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.168 -6.142 31.278 1.00 0.00 H new ATOM 585 N ALA A 38 84.792 -7.701 34.864 1.00 0.00 N ATOM 586 CA ALA A 38 85.471 -8.362 36.013 1.00 0.00 C ATOM 587 C ALA A 38 85.993 -7.295 36.982 1.00 0.00 C ATOM 588 O ALA A 38 86.263 -7.571 38.134 1.00 0.00 O ATOM 589 CB ALA A 38 86.642 -9.207 35.495 1.00 0.00 C ATOM 0 H ALA A 38 85.196 -7.906 33.950 1.00 0.00 H new ATOM 0 HA ALA A 38 84.763 -9.006 36.534 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.140 -9.692 36.335 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.267 -9.966 34.808 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.352 -8.565 34.974 1.00 0.00 H new ATOM 595 N SER A 39 86.141 -6.080 36.525 1.00 0.00 N ATOM 596 CA SER A 39 86.649 -5.002 37.423 1.00 0.00 C ATOM 597 C SER A 39 85.471 -4.382 38.168 1.00 0.00 C ATOM 598 O SER A 39 85.500 -4.227 39.373 1.00 0.00 O ATOM 599 CB SER A 39 87.343 -3.927 36.584 1.00 0.00 C ATOM 600 OG SER A 39 88.426 -4.512 35.875 1.00 0.00 O ATOM 0 H SER A 39 85.932 -5.788 35.570 1.00 0.00 H new ATOM 0 HA SER A 39 87.360 -5.419 38.137 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.635 -3.481 35.886 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.705 -3.125 37.227 1.00 0.00 H new ATOM 0 HG SER A 39 88.078 -5.114 35.185 1.00 0.00 H new ATOM 606 N CYS A 40 84.427 -4.045 37.468 1.00 0.00 N ATOM 607 CA CYS A 40 83.244 -3.459 38.150 1.00 0.00 C ATOM 608 C CYS A 40 82.738 -4.467 39.185 1.00 0.00 C ATOM 609 O CYS A 40 82.542 -5.628 38.886 1.00 0.00 O ATOM 610 CB CYS A 40 82.154 -3.172 37.114 1.00 0.00 C ATOM 611 SG CYS A 40 81.021 -1.916 37.756 1.00 0.00 S ATOM 0 H CYS A 40 84.342 -4.149 36.457 1.00 0.00 H new ATOM 0 HA CYS A 40 83.510 -2.525 38.646 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.605 -2.828 36.183 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.607 -4.086 36.884 1.00 0.00 H new ATOM 0 HG CYS A 40 80.098 -1.673 36.874 1.00 0.00 H new ATOM 616 N ASP A 41 82.542 -4.043 40.399 1.00 0.00 N ATOM 617 CA ASP A 41 82.068 -4.991 41.445 1.00 0.00 C ATOM 618 C ASP A 41 80.564 -5.231 41.294 1.00 0.00 C ATOM 619 O ASP A 41 80.057 -6.283 41.630 1.00 0.00 O ATOM 620 CB ASP A 41 82.348 -4.398 42.828 1.00 0.00 C ATOM 621 CG ASP A 41 83.856 -4.397 43.087 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.553 -5.146 42.423 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.288 -3.644 43.945 1.00 0.00 O ATOM 0 H ASP A 41 82.689 -3.084 40.714 1.00 0.00 H new ATOM 0 HA ASP A 41 82.594 -5.939 41.333 1.00 0.00 H new ATOM 0 HB2 ASP A 41 81.958 -3.382 42.886 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.837 -4.980 43.595 1.00 0.00 H new ATOM 628 N LYS A 42 79.841 -4.257 40.813 1.00 0.00 N ATOM 629 CA LYS A 42 78.366 -4.421 40.669 1.00 0.00 C ATOM 630 C LYS A 42 78.029 -5.379 39.519 1.00 0.00 C ATOM 631 O LYS A 42 77.160 -6.220 39.642 1.00 0.00 O ATOM 632 CB LYS A 42 77.740 -3.055 40.382 1.00 0.00 C ATOM 633 CG LYS A 42 77.922 -2.146 41.599 1.00 0.00 C ATOM 634 CD LYS A 42 77.297 -0.779 41.314 1.00 0.00 C ATOM 635 CE LYS A 42 77.483 0.129 42.531 1.00 0.00 C ATOM 636 NZ LYS A 42 78.937 0.364 42.754 1.00 0.00 N ATOM 0 H LYS A 42 80.208 -3.354 40.513 1.00 0.00 H new ATOM 0 HA LYS A 42 77.969 -4.838 41.595 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.207 -2.606 39.506 1.00 0.00 H new ATOM 0 HB3 LYS A 42 76.680 -3.169 40.155 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.455 -2.596 42.475 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.982 -2.033 41.826 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.763 -0.330 40.437 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.236 -0.892 41.089 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.970 1.078 42.373 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.038 -0.331 43.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.066 1.217 43.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.350 -0.455 43.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.412 0.494 41.838 1.00 0.00 H new ATOM 650 N CYS A 43 78.691 -5.261 38.397 1.00 0.00 N ATOM 651 CA CYS A 43 78.373 -6.168 37.251 1.00 0.00 C ATOM 652 C CYS A 43 79.029 -7.536 37.449 1.00 0.00 C ATOM 653 O CYS A 43 78.603 -8.520 36.878 1.00 0.00 O ATOM 654 CB CYS A 43 78.866 -5.552 35.941 1.00 0.00 C ATOM 655 SG CYS A 43 77.980 -4.004 35.630 1.00 0.00 S ATOM 0 H CYS A 43 79.432 -4.582 38.224 1.00 0.00 H new ATOM 0 HA CYS A 43 77.292 -6.297 37.207 1.00 0.00 H new ATOM 0 HB2 CYS A 43 79.938 -5.365 35.996 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.705 -6.247 35.117 1.00 0.00 H new ATOM 0 HG CYS A 43 78.401 -3.479 34.518 1.00 0.00 H new ATOM 660 N GLN A 44 80.066 -7.616 38.236 1.00 0.00 N ATOM 661 CA GLN A 44 80.735 -8.935 38.433 1.00 0.00 C ATOM 662 C GLN A 44 79.810 -9.883 39.202 1.00 0.00 C ATOM 663 O GLN A 44 79.596 -11.011 38.806 1.00 0.00 O ATOM 664 CB GLN A 44 82.037 -8.745 39.216 1.00 0.00 C ATOM 665 CG GLN A 44 82.758 -10.092 39.325 1.00 0.00 C ATOM 666 CD GLN A 44 84.100 -9.910 40.033 1.00 0.00 C ATOM 667 OE1 GLN A 44 84.211 -9.020 40.982 1.00 0.00 O flip ATOM 668 NE2 GLN A 44 85.057 -10.592 39.726 1.00 0.00 N flip ATOM 0 H GLN A 44 80.477 -6.835 38.747 1.00 0.00 H new ATOM 0 HA GLN A 44 80.959 -9.366 37.457 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.674 -8.017 38.714 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.824 -8.351 40.210 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.140 -10.801 39.876 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.916 -10.511 38.331 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.971 -11.287 38.985 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.947 -10.469 40.209 1.00 0.00 H new ATOM 677 N LEU A 45 79.259 -9.436 40.297 1.00 0.00 N ATOM 678 CA LEU A 45 78.347 -10.317 41.090 1.00 0.00 C ATOM 679 C LEU A 45 76.928 -10.207 40.523 1.00 0.00 C ATOM 680 O LEU A 45 76.502 -9.155 40.092 1.00 0.00 O ATOM 681 CB LEU A 45 78.346 -9.869 42.555 1.00 0.00 C ATOM 682 CG LEU A 45 79.768 -9.935 43.134 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.733 -9.477 44.595 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.311 -11.375 43.060 1.00 0.00 C ATOM 0 H LEU A 45 79.399 -8.501 40.679 1.00 0.00 H new ATOM 0 HA LEU A 45 78.690 -11.350 41.029 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.962 -8.852 42.631 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.679 -10.506 43.137 1.00 0.00 H new ATOM 0 HG LEU A 45 80.422 -9.285 42.553 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.738 -9.521 45.014 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.362 -8.453 44.647 1.00 0.00 H new ATOM 0 HD13 LEU A 45 79.073 -10.131 45.166 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.319 -11.405 43.474 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.663 -12.038 43.633 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.336 -11.702 42.020 1.00 0.00 H new ATOM 839 N PHE B 1 95.908 -11.210 22.743 1.00 0.00 N ATOM 840 CA PHE B 1 94.890 -12.275 22.970 1.00 0.00 C ATOM 841 C PHE B 1 95.343 -13.552 22.270 1.00 0.00 C ATOM 842 O PHE B 1 95.254 -13.683 21.065 1.00 0.00 O ATOM 843 CB PHE B 1 93.548 -11.806 22.413 1.00 0.00 C ATOM 844 CG PHE B 1 93.367 -10.346 22.763 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.185 -9.968 24.098 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.403 -9.368 21.760 1.00 0.00 C ATOM 847 CE1 PHE B 1 93.033 -8.618 24.433 1.00 0.00 C ATOM 848 CE2 PHE B 1 93.253 -8.016 22.095 1.00 0.00 C ATOM 849 CZ PHE B 1 93.067 -7.642 23.431 1.00 0.00 C ATOM 0 H1 PHE B 1 96.495 -11.104 23.595 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.511 -11.472 21.937 1.00 0.00 H new ATOM 0 H3 PHE B 1 95.429 -10.310 22.538 1.00 0.00 H new ATOM 0 HA PHE B 1 94.780 -12.476 24.036 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.518 -11.943 21.332 1.00 0.00 H new ATOM 0 HB3 PHE B 1 92.736 -12.400 22.832 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.162 -10.721 24.872 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.546 -9.656 20.729 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.890 -8.330 25.464 1.00 0.00 H new ATOM 0 HE2 PHE B 1 93.281 -7.262 21.322 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.950 -6.600 23.688 1.00 0.00 H new ATOM 861 N LEU B 2 95.861 -14.485 23.027 1.00 0.00 N ATOM 862 CA LEU B 2 96.365 -15.761 22.431 1.00 0.00 C ATOM 863 C LEU B 2 95.380 -16.899 22.651 1.00 0.00 C ATOM 864 O LEU B 2 94.782 -17.031 23.693 1.00 0.00 O ATOM 865 CB LEU B 2 97.704 -16.129 23.076 1.00 0.00 C ATOM 866 CG LEU B 2 98.730 -15.010 22.852 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.056 -15.414 23.504 1.00 0.00 C ATOM 868 CD2 LEU B 2 98.944 -14.771 21.347 1.00 0.00 C ATOM 0 H LEU B 2 95.957 -14.418 24.040 1.00 0.00 H new ATOM 0 HA LEU B 2 96.487 -15.610 21.358 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.567 -16.297 24.144 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.075 -17.062 22.652 1.00 0.00 H new ATOM 0 HG LEU B 2 98.360 -14.088 23.300 1.00 0.00 H new ATOM 0 HD11 LEU B 2 100.792 -14.625 23.350 1.00 0.00 H new ATOM 0 HD12 LEU B 2 99.905 -15.566 24.573 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.416 -16.339 23.053 1.00 0.00 H new ATOM 0 HD21 LEU B 2 99.674 -13.974 21.205 1.00 0.00 H new ATOM 0 HD22 LEU B 2 99.310 -15.686 20.882 1.00 0.00 H new ATOM 0 HD23 LEU B 2 97.999 -14.483 20.886 1.00 0.00 H new ATOM 880 N ASP B 3 95.238 -17.740 21.666 1.00 0.00 N ATOM 881 CA ASP B 3 94.321 -18.903 21.793 1.00 0.00 C ATOM 882 C ASP B 3 94.791 -19.769 22.961 1.00 0.00 C ATOM 883 O ASP B 3 93.998 -20.277 23.729 1.00 0.00 O ATOM 884 CB ASP B 3 94.341 -19.721 20.498 1.00 0.00 C ATOM 885 CG ASP B 3 93.639 -18.936 19.388 1.00 0.00 C ATOM 886 OD1 ASP B 3 92.935 -17.993 19.711 1.00 0.00 O ATOM 887 OD2 ASP B 3 93.816 -19.289 18.234 1.00 0.00 O ATOM 0 H ASP B 3 95.723 -17.670 20.771 1.00 0.00 H new ATOM 0 HA ASP B 3 93.303 -18.557 21.974 1.00 0.00 H new ATOM 0 HB2 ASP B 3 95.369 -19.940 20.209 1.00 0.00 H new ATOM 0 HB3 ASP B 3 93.843 -20.678 20.652 1.00 0.00 H new ATOM 892 N GLY B 4 96.080 -19.937 23.104 1.00 0.00 N ATOM 893 CA GLY B 4 96.609 -20.763 24.229 1.00 0.00 C ATOM 894 C GLY B 4 95.936 -20.328 25.532 1.00 0.00 C ATOM 895 O GLY B 4 96.004 -21.008 26.538 1.00 0.00 O ATOM 0 H GLY B 4 96.789 -19.537 22.490 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.417 -21.820 24.042 1.00 0.00 H new ATOM 0 HA3 GLY B 4 97.690 -20.644 24.307 1.00 0.00 H new ATOM 899 N ILE B 5 95.269 -19.207 25.514 1.00 0.00 N ATOM 900 CA ILE B 5 94.566 -18.731 26.737 1.00 0.00 C ATOM 901 C ILE B 5 93.536 -19.786 27.140 1.00 0.00 C ATOM 902 O ILE B 5 93.296 -20.025 28.307 1.00 0.00 O ATOM 903 CB ILE B 5 93.881 -17.387 26.439 1.00 0.00 C ATOM 904 CG1 ILE B 5 94.936 -16.277 26.425 1.00 0.00 C ATOM 905 CG2 ILE B 5 92.821 -17.078 27.506 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.329 -14.996 25.847 1.00 0.00 C ATOM 0 H ILE B 5 95.181 -18.598 24.701 1.00 0.00 H new ATOM 0 HA ILE B 5 95.271 -18.583 27.555 1.00 0.00 H new ATOM 0 HB ILE B 5 93.390 -17.444 25.467 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.299 -16.095 27.436 1.00 0.00 H new ATOM 0 HG13 ILE B 5 95.795 -16.585 25.829 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.345 -16.123 27.281 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.068 -17.866 27.510 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.296 -17.024 28.486 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.082 -14.208 25.838 1.00 0.00 H new ATOM 0 HD12 ILE B 5 93.987 -15.182 24.829 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.485 -14.684 26.462 1.00 0.00 H new ATOM 918 N ASP B 6 92.933 -20.422 26.178 1.00 0.00 N ATOM 919 CA ASP B 6 91.926 -21.469 26.493 1.00 0.00 C ATOM 920 C ASP B 6 92.602 -22.569 27.316 1.00 0.00 C ATOM 921 O ASP B 6 92.022 -23.122 28.228 1.00 0.00 O ATOM 922 CB ASP B 6 91.377 -22.055 25.192 1.00 0.00 C ATOM 923 CG ASP B 6 90.311 -23.103 25.511 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.247 -23.524 26.654 1.00 0.00 O ATOM 925 OD2 ASP B 6 89.575 -23.465 24.609 1.00 0.00 O ATOM 0 H ASP B 6 93.095 -20.261 25.184 1.00 0.00 H new ATOM 0 HA ASP B 6 91.102 -21.038 27.062 1.00 0.00 H new ATOM 0 HB2 ASP B 6 90.950 -21.263 24.576 1.00 0.00 H new ATOM 0 HB3 ASP B 6 92.184 -22.507 24.616 1.00 0.00 H new ATOM 930 N LYS B 7 93.828 -22.891 26.999 1.00 0.00 N ATOM 931 CA LYS B 7 94.541 -23.954 27.766 1.00 0.00 C ATOM 932 C LYS B 7 94.668 -23.515 29.226 1.00 0.00 C ATOM 933 O LYS B 7 94.511 -24.302 30.140 1.00 0.00 O ATOM 934 CB LYS B 7 95.944 -24.146 27.175 1.00 0.00 C ATOM 935 CG LYS B 7 96.672 -25.268 27.923 1.00 0.00 C ATOM 936 CD LYS B 7 98.069 -25.457 27.331 1.00 0.00 C ATOM 937 CE LYS B 7 98.811 -26.540 28.116 1.00 0.00 C ATOM 938 NZ LYS B 7 98.103 -27.842 27.963 1.00 0.00 N ATOM 0 H LYS B 7 94.366 -22.465 26.244 1.00 0.00 H new ATOM 0 HA LYS B 7 93.985 -24.890 27.707 1.00 0.00 H new ATOM 0 HB2 LYS B 7 95.872 -24.390 26.115 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.511 -23.218 27.251 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.745 -25.024 28.983 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.106 -26.196 27.848 1.00 0.00 H new ATOM 0 HD2 LYS B 7 97.996 -25.739 26.281 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.623 -24.519 27.371 1.00 0.00 H new ATOM 0 HE2 LYS B 7 99.836 -26.627 27.755 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.866 -26.266 29.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 98.744 -28.618 28.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 97.268 -27.858 28.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 97.803 -27.960 26.974 1.00 0.00 H new ATOM 952 N ALA B 8 94.949 -22.262 29.452 1.00 0.00 N ATOM 953 CA ALA B 8 95.088 -21.762 30.848 1.00 0.00 C ATOM 954 C ALA B 8 93.773 -21.971 31.605 1.00 0.00 C ATOM 955 O ALA B 8 93.765 -22.262 32.784 1.00 0.00 O ATOM 956 CB ALA B 8 95.430 -20.271 30.824 1.00 0.00 C ATOM 0 H ALA B 8 95.089 -21.559 28.726 1.00 0.00 H new ATOM 0 HA ALA B 8 95.885 -22.311 31.350 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.532 -19.905 31.846 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.368 -20.121 30.290 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.634 -19.723 30.320 1.00 0.00 H new ATOM 962 N GLN B 9 92.661 -21.811 30.939 1.00 0.00 N ATOM 963 CA GLN B 9 91.350 -21.983 31.627 1.00 0.00 C ATOM 964 C GLN B 9 91.244 -23.404 32.183 1.00 0.00 C ATOM 965 O GLN B 9 90.767 -23.619 33.281 1.00 0.00 O ATOM 966 CB GLN B 9 90.219 -21.755 30.622 1.00 0.00 C ATOM 967 CG GLN B 9 90.162 -20.277 30.239 1.00 0.00 C ATOM 968 CD GLN B 9 89.190 -20.093 29.072 1.00 0.00 C ATOM 969 OE1 GLN B 9 88.879 -21.036 28.372 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.697 -18.910 28.830 1.00 0.00 N ATOM 0 H GLN B 9 92.604 -21.569 29.950 1.00 0.00 H new ATOM 0 HA GLN B 9 91.273 -21.265 32.443 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.380 -22.365 29.733 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.268 -22.066 31.054 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.840 -19.681 31.093 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.155 -19.924 29.960 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.958 -18.119 29.418 1.00 0.00 H new ATOM 0 HE22 GLN B 9 88.050 -18.776 28.053 1.00 0.00 H new ATOM 979 N GLU B 10 91.683 -24.376 31.432 1.00 0.00 N ATOM 980 CA GLU B 10 91.608 -25.785 31.910 1.00 0.00 C ATOM 981 C GLU B 10 92.415 -25.945 33.202 1.00 0.00 C ATOM 982 O GLU B 10 92.015 -26.646 34.109 1.00 0.00 O ATOM 983 CB GLU B 10 92.164 -26.721 30.832 1.00 0.00 C ATOM 984 CG GLU B 10 91.197 -26.760 29.645 1.00 0.00 C ATOM 985 CD GLU B 10 91.745 -27.694 28.566 1.00 0.00 C ATOM 986 OE1 GLU B 10 92.878 -28.124 28.701 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.023 -27.960 27.618 1.00 0.00 O ATOM 0 H GLU B 10 92.092 -24.255 30.505 1.00 0.00 H new ATOM 0 HA GLU B 10 90.567 -26.040 32.110 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.145 -26.375 30.505 1.00 0.00 H new ATOM 0 HB3 GLU B 10 92.298 -27.723 31.239 1.00 0.00 H new ATOM 0 HG2 GLU B 10 90.216 -27.104 29.973 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.064 -25.757 29.239 1.00 0.00 H new ATOM 994 N GLU B 11 93.559 -25.314 33.284 1.00 0.00 N ATOM 995 CA GLU B 11 94.411 -25.444 34.508 1.00 0.00 C ATOM 996 C GLU B 11 94.198 -24.243 35.439 1.00 0.00 C ATOM 997 O GLU B 11 94.921 -24.061 36.399 1.00 0.00 O ATOM 998 CB GLU B 11 95.882 -25.490 34.089 1.00 0.00 C ATOM 999 CG GLU B 11 96.120 -26.687 33.166 1.00 0.00 C ATOM 1000 CD GLU B 11 95.887 -27.989 33.936 1.00 0.00 C ATOM 1001 OE1 GLU B 11 96.582 -28.207 34.915 1.00 0.00 O ATOM 1002 OE2 GLU B 11 95.017 -28.745 33.533 1.00 0.00 O ATOM 0 H GLU B 11 93.942 -24.712 32.555 1.00 0.00 H new ATOM 0 HA GLU B 11 94.135 -26.357 35.035 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.153 -24.566 33.579 1.00 0.00 H new ATOM 0 HB3 GLU B 11 96.519 -25.566 34.970 1.00 0.00 H new ATOM 0 HG2 GLU B 11 95.449 -26.636 32.308 1.00 0.00 H new ATOM 0 HG3 GLU B 11 97.138 -26.661 32.777 1.00 0.00 H new ATOM 1009 N CYS B 12 93.220 -23.419 35.173 1.00 0.00 N ATOM 1010 CA CYS B 12 92.985 -22.237 36.056 1.00 0.00 C ATOM 1011 C CYS B 12 92.977 -22.680 37.521 1.00 0.00 C ATOM 1012 O CYS B 12 93.529 -22.026 38.383 1.00 0.00 O ATOM 1013 CB CYS B 12 91.634 -21.603 35.719 1.00 0.00 C ATOM 1014 SG CYS B 12 91.296 -20.251 36.874 1.00 0.00 S ATOM 0 H CYS B 12 92.576 -23.511 34.387 1.00 0.00 H new ATOM 0 HA CYS B 12 93.782 -21.511 35.897 1.00 0.00 H new ATOM 0 HB2 CYS B 12 91.642 -21.228 34.696 1.00 0.00 H new ATOM 0 HB3 CYS B 12 90.844 -22.352 35.778 1.00 0.00 H new ATOM 0 HG CYS B 12 90.572 -19.347 36.284 1.00 0.00 H new ATOM 1019 N GLU B 13 92.349 -23.785 37.806 1.00 0.00 N ATOM 1020 CA GLU B 13 92.293 -24.279 39.210 1.00 0.00 C ATOM 1021 C GLU B 13 93.710 -24.554 39.718 1.00 0.00 C ATOM 1022 O GLU B 13 94.014 -24.363 40.879 1.00 0.00 O ATOM 1023 CB GLU B 13 91.474 -25.571 39.261 1.00 0.00 C ATOM 1024 CG GLU B 13 90.000 -25.259 38.989 1.00 0.00 C ATOM 1025 CD GLU B 13 89.419 -24.448 40.150 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.011 -24.470 41.216 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.394 -23.817 39.951 1.00 0.00 O ATOM 0 H GLU B 13 91.869 -24.371 37.123 1.00 0.00 H new ATOM 0 HA GLU B 13 91.825 -23.523 39.841 1.00 0.00 H new ATOM 0 HB2 GLU B 13 91.848 -26.279 38.522 1.00 0.00 H new ATOM 0 HB3 GLU B 13 91.582 -26.043 40.238 1.00 0.00 H new ATOM 0 HG2 GLU B 13 89.903 -24.700 38.058 1.00 0.00 H new ATOM 0 HG3 GLU B 13 89.440 -26.186 38.864 1.00 0.00 H new ATOM 1034 N LYS B 14 94.574 -25.019 38.859 1.00 0.00 N ATOM 1035 CA LYS B 14 95.968 -25.330 39.285 1.00 0.00 C ATOM 1036 C LYS B 14 96.653 -24.067 39.819 1.00 0.00 C ATOM 1037 O LYS B 14 97.418 -24.123 40.761 1.00 0.00 O ATOM 1038 CB LYS B 14 96.752 -25.880 38.090 1.00 0.00 C ATOM 1039 CG LYS B 14 98.159 -26.288 38.536 1.00 0.00 C ATOM 1040 CD LYS B 14 98.934 -26.836 37.337 1.00 0.00 C ATOM 1041 CE LYS B 14 100.342 -27.242 37.779 1.00 0.00 C ATOM 1042 NZ LYS B 14 100.259 -28.412 38.699 1.00 0.00 N ATOM 0 H LYS B 14 94.374 -25.198 37.875 1.00 0.00 H new ATOM 0 HA LYS B 14 95.942 -26.076 40.080 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.232 -26.739 37.666 1.00 0.00 H new ATOM 0 HB3 LYS B 14 96.814 -25.126 37.306 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.681 -25.430 38.959 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.099 -27.043 39.320 1.00 0.00 H new ATOM 0 HD2 LYS B 14 98.412 -27.695 36.916 1.00 0.00 H new ATOM 0 HD3 LYS B 14 98.991 -26.082 36.552 1.00 0.00 H new ATOM 0 HE2 LYS B 14 100.949 -27.493 36.909 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.832 -26.407 38.280 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 101.189 -28.874 38.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 99.972 -28.090 39.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.558 -29.089 38.337 1.00 0.00 H new ATOM 1056 N TYR B 15 96.399 -22.929 39.227 1.00 0.00 N ATOM 1057 CA TYR B 15 97.058 -21.680 39.714 1.00 0.00 C ATOM 1058 C TYR B 15 96.255 -21.096 40.881 1.00 0.00 C ATOM 1059 O TYR B 15 96.766 -20.324 41.668 1.00 0.00 O ATOM 1060 CB TYR B 15 97.110 -20.652 38.581 1.00 0.00 C ATOM 1061 CG TYR B 15 97.983 -21.167 37.460 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.356 -20.897 37.462 1.00 0.00 C ATOM 1063 CD2 TYR B 15 97.417 -21.909 36.416 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.164 -21.370 36.421 1.00 0.00 C ATOM 1065 CE2 TYR B 15 98.224 -22.381 35.375 1.00 0.00 C ATOM 1066 CZ TYR B 15 99.597 -22.112 35.377 1.00 0.00 C ATOM 1067 OH TYR B 15 100.394 -22.577 34.349 1.00 0.00 O ATOM 0 H TYR B 15 95.769 -22.810 38.434 1.00 0.00 H new ATOM 0 HA TYR B 15 98.070 -21.915 40.045 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.104 -20.456 38.210 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.502 -19.706 38.954 1.00 0.00 H new ATOM 0 HD1 TYR B 15 99.792 -20.324 38.267 1.00 0.00 H new ATOM 0 HD2 TYR B 15 96.357 -22.117 36.414 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.224 -21.163 36.423 1.00 0.00 H new ATOM 0 HE2 TYR B 15 97.787 -22.953 34.570 1.00 0.00 H new ATOM 0 HH TYR B 15 99.844 -23.074 33.708 1.00 0.00 H new ATOM 1077 N HIS B 16 95.007 -21.460 41.003 1.00 0.00 N ATOM 1078 CA HIS B 16 94.173 -20.935 42.125 1.00 0.00 C ATOM 1079 C HIS B 16 94.131 -19.405 42.074 1.00 0.00 C ATOM 1080 O HIS B 16 93.921 -18.811 41.035 1.00 0.00 O ATOM 1081 CB HIS B 16 94.757 -21.391 43.467 1.00 0.00 C ATOM 1082 CG HIS B 16 95.008 -22.874 43.429 1.00 0.00 C ATOM 1083 ND1 HIS B 16 93.974 -23.802 43.453 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.168 -23.607 43.370 1.00 0.00 C ATOM 1085 CE1 HIS B 16 94.529 -25.028 43.408 1.00 0.00 C ATOM 1086 NE2 HIS B 16 95.860 -24.963 43.358 1.00 0.00 N ATOM 0 H HIS B 16 94.526 -22.101 40.372 1.00 0.00 H new ATOM 0 HA HIS B 16 93.160 -21.324 42.024 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.687 -20.859 43.670 1.00 0.00 H new ATOM 0 HB3 HIS B 16 94.068 -21.149 44.276 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.165 -23.194 43.338 1.00 0.00 H new ATOM 0 HE1 HIS B 16 93.966 -25.950 43.412 1.00 0.00 H new ATOM 0 HE2 HIS B 16 96.515 -25.744 43.319 1.00 0.00 H new ATOM 1095 N SER B 17 94.320 -18.762 43.197 1.00 0.00 N ATOM 1096 CA SER B 17 94.281 -17.271 43.230 1.00 0.00 C ATOM 1097 C SER B 17 95.633 -16.701 42.794 1.00 0.00 C ATOM 1098 O SER B 17 95.786 -15.507 42.626 1.00 0.00 O ATOM 1099 CB SER B 17 93.968 -16.805 44.652 1.00 0.00 C ATOM 1100 OG SER B 17 93.749 -15.400 44.649 1.00 0.00 O ATOM 0 H SER B 17 94.500 -19.208 44.096 1.00 0.00 H new ATOM 0 HA SER B 17 93.509 -16.918 42.547 1.00 0.00 H new ATOM 0 HB2 SER B 17 93.086 -17.321 45.030 1.00 0.00 H new ATOM 0 HB3 SER B 17 94.793 -17.054 45.319 1.00 0.00 H new ATOM 0 HG SER B 17 94.218 -14.997 43.889 1.00 0.00 H new ATOM 1106 N ASN B 18 96.618 -17.538 42.610 1.00 0.00 N ATOM 1107 CA ASN B 18 97.955 -17.028 42.187 1.00 0.00 C ATOM 1108 C ASN B 18 97.945 -16.764 40.680 1.00 0.00 C ATOM 1109 O ASN B 18 98.566 -17.471 39.912 1.00 0.00 O ATOM 1110 CB ASN B 18 99.025 -18.074 42.512 1.00 0.00 C ATOM 1111 CG ASN B 18 99.316 -18.066 44.013 1.00 0.00 C ATOM 1112 OD1 ASN B 18 98.666 -18.756 44.773 1.00 0.00 O ATOM 1113 ND2 ASN B 18 100.277 -17.315 44.473 1.00 0.00 N ATOM 0 H ASN B 18 96.556 -18.549 42.733 1.00 0.00 H new ATOM 0 HA ASN B 18 98.176 -16.102 42.718 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.686 -19.063 42.203 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.937 -17.861 41.954 1.00 0.00 H new ATOM 0 HD21 ASN B 18 100.484 -17.306 45.472 1.00 0.00 H new ATOM 0 HD22 ASN B 18 100.822 -16.736 43.834 1.00 0.00 H new ATOM 1120 N TRP B 19 97.244 -15.749 40.251 1.00 0.00 N ATOM 1121 CA TRP B 19 97.195 -15.438 38.796 1.00 0.00 C ATOM 1122 C TRP B 19 98.559 -14.909 38.341 1.00 0.00 C ATOM 1123 O TRP B 19 98.914 -14.996 37.182 1.00 0.00 O ATOM 1124 CB TRP B 19 96.126 -14.375 38.536 1.00 0.00 C ATOM 1125 CG TRP B 19 96.461 -13.133 39.298 1.00 0.00 C ATOM 1126 CD1 TRP B 19 96.080 -12.876 40.570 1.00 0.00 C ATOM 1127 CD2 TRP B 19 97.234 -11.979 38.861 1.00 0.00 C ATOM 1128 NE1 TRP B 19 96.572 -11.638 40.942 1.00 0.00 N ATOM 1129 CE2 TRP B 19 97.290 -11.046 39.922 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.888 -11.654 37.657 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 97.969 -9.833 39.795 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 98.572 -10.434 37.526 1.00 0.00 C ATOM 1133 CH2 TRP B 19 98.612 -9.526 38.593 1.00 0.00 C ATOM 0 H TRP B 19 96.703 -15.122 40.847 1.00 0.00 H new ATOM 0 HA TRP B 19 96.951 -16.343 38.240 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.068 -14.156 37.470 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.147 -14.747 38.839 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.488 -13.530 41.193 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.423 -11.214 41.858 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.864 -12.347 36.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.997 -9.137 40.620 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.070 -10.194 36.598 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.139 -8.590 38.486 1.00 0.00 H new ATOM 1144 N ARG B 20 99.319 -14.348 39.242 1.00 0.00 N ATOM 1145 CA ARG B 20 100.651 -13.801 38.858 1.00 0.00 C ATOM 1146 C ARG B 20 101.539 -14.913 38.298 1.00 0.00 C ATOM 1147 O ARG B 20 102.263 -14.717 37.341 1.00 0.00 O ATOM 1148 CB ARG B 20 101.327 -13.194 40.086 1.00 0.00 C ATOM 1149 CG ARG B 20 100.593 -11.915 40.495 1.00 0.00 C ATOM 1150 CD ARG B 20 101.285 -11.302 41.712 1.00 0.00 C ATOM 1151 NE ARG B 20 100.556 -10.072 42.131 1.00 0.00 N ATOM 1152 CZ ARG B 20 100.802 -9.535 43.293 1.00 0.00 C ATOM 1153 NH1 ARG B 20 101.710 -10.056 44.072 1.00 0.00 N ATOM 1154 NH2 ARG B 20 100.145 -8.473 43.674 1.00 0.00 N ATOM 0 H ARG B 20 99.075 -14.245 40.227 1.00 0.00 H new ATOM 0 HA ARG B 20 100.509 -13.036 38.095 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.319 -13.909 40.909 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.371 -12.972 39.866 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.589 -11.204 39.668 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.552 -12.138 40.728 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.308 -12.021 42.531 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.320 -11.060 41.471 1.00 0.00 H new ATOM 0 HE ARG B 20 99.866 -9.651 41.510 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.226 -10.883 43.771 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.903 -9.637 44.981 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.439 -8.063 43.062 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.338 -8.053 44.583 1.00 0.00 H new ATOM 1168 N ALA B 21 101.494 -16.078 38.882 1.00 0.00 N ATOM 1169 CA ALA B 21 102.342 -17.192 38.373 1.00 0.00 C ATOM 1170 C ALA B 21 101.878 -17.570 36.967 1.00 0.00 C ATOM 1171 O ALA B 21 102.673 -17.772 36.070 1.00 0.00 O ATOM 1172 CB ALA B 21 102.205 -18.404 39.299 1.00 0.00 C ATOM 0 H ALA B 21 100.910 -16.306 39.686 1.00 0.00 H new ATOM 0 HA ALA B 21 103.385 -16.877 38.345 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.826 -19.219 38.926 1.00 0.00 H new ATOM 0 HB2 ALA B 21 102.528 -18.132 40.304 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.164 -18.725 39.327 1.00 0.00 H new ATOM 1178 N MET B 22 100.593 -17.659 36.769 1.00 0.00 N ATOM 1179 CA MET B 22 100.066 -18.014 35.424 1.00 0.00 C ATOM 1180 C MET B 22 100.507 -16.961 34.403 1.00 0.00 C ATOM 1181 O MET B 22 100.932 -17.282 33.311 1.00 0.00 O ATOM 1182 CB MET B 22 98.538 -18.080 35.491 1.00 0.00 C ATOM 1183 CG MET B 22 97.973 -18.444 34.118 1.00 0.00 C ATOM 1184 SD MET B 22 96.235 -18.920 34.290 1.00 0.00 S ATOM 1185 CE MET B 22 95.638 -17.369 35.007 1.00 0.00 C ATOM 0 H MET B 22 99.883 -17.500 37.484 1.00 0.00 H new ATOM 0 HA MET B 22 100.457 -18.984 35.115 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.229 -18.820 36.229 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.138 -17.120 35.816 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.064 -17.596 33.439 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.545 -19.264 33.683 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.564 -17.281 34.840 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.841 -17.361 36.078 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.149 -16.530 34.535 1.00 0.00 H new ATOM 1195 N ALA B 23 100.414 -15.705 34.748 1.00 0.00 N ATOM 1196 CA ALA B 23 100.833 -14.636 33.797 1.00 0.00 C ATOM 1197 C ALA B 23 102.315 -14.817 33.450 1.00 0.00 C ATOM 1198 O ALA B 23 102.724 -14.648 32.320 1.00 0.00 O ATOM 1199 CB ALA B 23 100.626 -13.266 34.448 1.00 0.00 C ATOM 0 H ALA B 23 100.066 -15.373 35.648 1.00 0.00 H new ATOM 0 HA ALA B 23 100.235 -14.701 32.888 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.932 -12.483 33.754 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.573 -13.138 34.698 1.00 0.00 H new ATOM 0 HB3 ALA B 23 101.226 -13.200 35.356 1.00 0.00 H new ATOM 1205 N SER B 24 103.121 -15.152 34.420 1.00 0.00 N ATOM 1206 CA SER B 24 104.580 -15.339 34.162 1.00 0.00 C ATOM 1207 C SER B 24 104.805 -16.553 33.258 1.00 0.00 C ATOM 1208 O SER B 24 105.677 -16.554 32.410 1.00 0.00 O ATOM 1209 CB SER B 24 105.308 -15.557 35.489 1.00 0.00 C ATOM 1210 OG SER B 24 105.151 -14.403 36.305 1.00 0.00 O ATOM 0 H SER B 24 102.831 -15.305 35.386 1.00 0.00 H new ATOM 0 HA SER B 24 104.969 -14.449 33.668 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.907 -16.434 35.998 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.366 -15.749 35.310 1.00 0.00 H new ATOM 0 HG SER B 24 104.241 -14.380 36.668 1.00 0.00 H new ATOM 1216 N ASP B 25 104.039 -17.593 33.443 1.00 0.00 N ATOM 1217 CA ASP B 25 104.223 -18.815 32.609 1.00 0.00 C ATOM 1218 C ASP B 25 103.804 -18.519 31.172 1.00 0.00 C ATOM 1219 O ASP B 25 104.466 -18.901 30.227 1.00 0.00 O ATOM 1220 CB ASP B 25 103.344 -19.931 33.165 1.00 0.00 C ATOM 1221 CG ASP B 25 103.723 -21.260 32.510 1.00 0.00 C ATOM 1222 OD1 ASP B 25 104.245 -21.228 31.408 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.482 -22.289 33.120 1.00 0.00 O ATOM 0 H ASP B 25 103.293 -17.650 34.136 1.00 0.00 H new ATOM 0 HA ASP B 25 105.270 -19.118 32.628 1.00 0.00 H new ATOM 0 HB2 ASP B 25 103.466 -19.999 34.246 1.00 0.00 H new ATOM 0 HB3 ASP B 25 102.294 -19.708 32.977 1.00 0.00 H new ATOM 1228 N PHE B 26 102.712 -17.832 31.003 1.00 0.00 N ATOM 1229 CA PHE B 26 102.237 -17.491 29.626 1.00 0.00 C ATOM 1230 C PHE B 26 102.744 -16.094 29.246 1.00 0.00 C ATOM 1231 O PHE B 26 102.535 -15.625 28.146 1.00 0.00 O ATOM 1232 CB PHE B 26 100.706 -17.522 29.596 1.00 0.00 C ATOM 1233 CG PHE B 26 100.230 -18.955 29.689 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.037 -19.549 30.942 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.976 -19.688 28.522 1.00 0.00 C ATOM 1236 CE1 PHE B 26 99.592 -20.876 31.028 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.531 -21.013 28.608 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.340 -21.607 29.861 1.00 0.00 C ATOM 0 H PHE B 26 102.121 -17.488 31.760 1.00 0.00 H new ATOM 0 HA PHE B 26 102.622 -18.217 28.910 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.303 -16.939 30.424 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.340 -17.065 28.677 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.231 -18.985 31.842 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.124 -19.230 27.555 1.00 0.00 H new ATOM 0 HE1 PHE B 26 99.444 -21.334 31.995 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.335 -21.576 27.708 1.00 0.00 H new ATOM 0 HZ PHE B 26 98.998 -22.629 29.927 1.00 0.00 H new ATOM 1248 N ASN B 27 103.423 -15.438 30.150 1.00 0.00 N ATOM 1249 CA ASN B 27 103.967 -14.079 29.854 1.00 0.00 C ATOM 1250 C ASN B 27 102.861 -13.160 29.330 1.00 0.00 C ATOM 1251 O ASN B 27 103.019 -12.505 28.316 1.00 0.00 O ATOM 1252 CB ASN B 27 105.077 -14.199 28.808 1.00 0.00 C ATOM 1253 CG ASN B 27 106.244 -14.990 29.400 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.717 -15.938 28.804 1.00 0.00 O ATOM 1255 ND2 ASN B 27 106.732 -14.639 30.559 1.00 0.00 N ATOM 0 H ASN B 27 103.625 -15.787 31.087 1.00 0.00 H new ATOM 0 HA ASN B 27 104.368 -13.649 30.772 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.699 -14.698 27.916 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.412 -13.208 28.501 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.510 -15.160 30.964 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.336 -13.844 31.060 1.00 0.00 H new ATOM 1262 N LEU B 28 101.746 -13.098 30.018 1.00 0.00 N ATOM 1263 CA LEU B 28 100.612 -12.217 29.580 1.00 0.00 C ATOM 1264 C LEU B 28 100.346 -11.158 30.664 1.00 0.00 C ATOM 1265 O LEU B 28 100.598 -11.389 31.829 1.00 0.00 O ATOM 1266 CB LEU B 28 99.354 -13.076 29.406 1.00 0.00 C ATOM 1267 CG LEU B 28 99.489 -13.972 28.165 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.461 -15.106 28.247 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.246 -13.155 26.879 1.00 0.00 C ATOM 0 H LEU B 28 101.570 -13.625 30.873 1.00 0.00 H new ATOM 0 HA LEU B 28 100.866 -11.728 28.639 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.200 -13.691 30.292 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.478 -12.435 29.307 1.00 0.00 H new ATOM 0 HG LEU B 28 100.498 -14.383 28.135 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.553 -15.745 27.368 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.641 -15.696 29.145 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.457 -14.684 28.286 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.346 -13.806 26.010 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.242 -12.731 26.902 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.978 -12.350 26.815 1.00 0.00 H new ATOM 1281 N PRO B 29 99.825 -10.007 30.293 1.00 0.00 N ATOM 1282 CA PRO B 29 99.513 -8.916 31.270 1.00 0.00 C ATOM 1283 C PRO B 29 98.327 -9.292 32.172 1.00 0.00 C ATOM 1284 O PRO B 29 97.561 -10.179 31.854 1.00 0.00 O ATOM 1285 CB PRO B 29 99.167 -7.713 30.374 1.00 0.00 C ATOM 1286 CG PRO B 29 98.682 -8.318 29.097 1.00 0.00 C ATOM 1287 CD PRO B 29 99.483 -9.607 28.913 1.00 0.00 C ATOM 0 HA PRO B 29 100.341 -8.715 31.950 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.401 -7.086 30.831 1.00 0.00 H new ATOM 0 HB3 PRO B 29 100.039 -7.080 30.206 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.613 -8.526 29.145 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.838 -7.638 28.259 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.896 -10.374 28.408 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.376 -9.441 28.311 1.00 0.00 H new ATOM 1295 N PRO B 30 98.183 -8.633 33.295 1.00 0.00 N ATOM 1296 CA PRO B 30 97.076 -8.918 34.255 1.00 0.00 C ATOM 1297 C PRO B 30 95.698 -8.829 33.582 1.00 0.00 C ATOM 1298 O PRO B 30 94.732 -9.387 34.057 1.00 0.00 O ATOM 1299 CB PRO B 30 97.242 -7.844 35.356 1.00 0.00 C ATOM 1300 CG PRO B 30 98.153 -6.808 34.769 1.00 0.00 C ATOM 1301 CD PRO B 30 99.046 -7.543 33.770 1.00 0.00 C ATOM 0 HA PRO B 30 97.128 -9.932 34.652 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.280 -7.411 35.630 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.668 -8.274 36.263 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.582 -6.022 34.275 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.749 -6.329 35.545 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.360 -6.892 32.954 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.952 -7.922 34.242 1.00 0.00 H new ATOM 1309 N VAL B 31 95.603 -8.133 32.481 1.00 0.00 N ATOM 1310 CA VAL B 31 94.288 -8.021 31.784 1.00 0.00 C ATOM 1311 C VAL B 31 93.798 -9.414 31.390 1.00 0.00 C ATOM 1312 O VAL B 31 92.670 -9.783 31.653 1.00 0.00 O ATOM 1313 CB VAL B 31 94.448 -7.156 30.526 1.00 0.00 C ATOM 1314 CG1 VAL B 31 93.178 -7.240 29.660 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.683 -5.702 30.947 1.00 0.00 C ATOM 0 H VAL B 31 96.376 -7.639 32.035 1.00 0.00 H new ATOM 0 HA VAL B 31 93.561 -7.558 32.452 1.00 0.00 H new ATOM 0 HB VAL B 31 95.296 -7.518 29.945 1.00 0.00 H new ATOM 0 HG11 VAL B 31 93.303 -6.623 28.770 1.00 0.00 H new ATOM 0 HG12 VAL B 31 93.008 -8.275 29.363 1.00 0.00 H new ATOM 0 HG13 VAL B 31 92.323 -6.882 30.233 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.798 -5.080 30.059 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.832 -5.350 31.529 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.587 -5.640 31.553 1.00 0.00 H new ATOM 1325 N VAL B 32 94.632 -10.189 30.758 1.00 0.00 N ATOM 1326 CA VAL B 32 94.204 -11.553 30.343 1.00 0.00 C ATOM 1327 C VAL B 32 94.167 -12.490 31.555 1.00 0.00 C ATOM 1328 O VAL B 32 93.240 -13.255 31.727 1.00 0.00 O ATOM 1329 CB VAL B 32 95.184 -12.100 29.306 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.750 -13.505 28.889 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.192 -11.179 28.082 1.00 0.00 C ATOM 0 H VAL B 32 95.589 -9.938 30.511 1.00 0.00 H new ATOM 0 HA VAL B 32 93.205 -11.494 29.911 1.00 0.00 H new ATOM 0 HB VAL B 32 96.185 -12.144 29.734 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.448 -13.897 28.149 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.742 -14.158 29.762 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.750 -13.464 28.458 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.890 -11.566 27.340 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.191 -11.137 27.652 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.500 -10.177 28.382 1.00 0.00 H new ATOM 1341 N ALA B 33 95.169 -12.446 32.392 1.00 0.00 N ATOM 1342 CA ALA B 33 95.180 -13.348 33.579 1.00 0.00 C ATOM 1343 C ALA B 33 93.958 -13.063 34.449 1.00 0.00 C ATOM 1344 O ALA B 33 93.249 -13.963 34.857 1.00 0.00 O ATOM 1345 CB ALA B 33 96.458 -13.113 34.389 1.00 0.00 C ATOM 0 H ALA B 33 95.976 -11.828 32.306 1.00 0.00 H new ATOM 0 HA ALA B 33 95.150 -14.386 33.247 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.465 -13.773 35.257 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.327 -13.323 33.766 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.492 -12.076 34.722 1.00 0.00 H new ATOM 1351 N LYS B 34 93.697 -11.820 34.731 1.00 0.00 N ATOM 1352 CA LYS B 34 92.513 -11.481 35.568 1.00 0.00 C ATOM 1353 C LYS B 34 91.249 -11.982 34.867 1.00 0.00 C ATOM 1354 O LYS B 34 90.335 -12.483 35.491 1.00 0.00 O ATOM 1355 CB LYS B 34 92.422 -9.959 35.737 1.00 0.00 C ATOM 1356 CG LYS B 34 93.560 -9.447 36.637 1.00 0.00 C ATOM 1357 CD LYS B 34 93.258 -9.733 38.115 1.00 0.00 C ATOM 1358 CE LYS B 34 94.201 -8.912 38.996 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.897 -9.178 40.431 1.00 0.00 N ATOM 0 H LYS B 34 94.251 -11.023 34.419 1.00 0.00 H new ATOM 0 HA LYS B 34 92.610 -11.951 36.547 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.476 -9.475 34.762 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.459 -9.693 36.172 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.497 -9.926 36.354 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.692 -8.375 36.489 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.222 -9.482 38.341 1.00 0.00 H new ATOM 0 HD3 LYS B 34 93.381 -10.796 38.323 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.237 -9.171 38.779 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.086 -7.850 38.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.538 -8.620 41.031 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 92.913 -8.910 40.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.028 -10.190 40.632 1.00 0.00 H new ATOM 1373 N GLU B 35 91.192 -11.837 33.571 1.00 0.00 N ATOM 1374 CA GLU B 35 89.989 -12.288 32.815 1.00 0.00 C ATOM 1375 C GLU B 35 89.817 -13.804 32.950 1.00 0.00 C ATOM 1376 O GLU B 35 88.715 -14.296 33.094 1.00 0.00 O ATOM 1377 CB GLU B 35 90.155 -11.921 31.338 1.00 0.00 C ATOM 1378 CG GLU B 35 88.850 -12.205 30.581 1.00 0.00 C ATOM 1379 CD GLU B 35 88.722 -13.706 30.294 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.731 -14.391 30.327 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.612 -14.145 30.042 1.00 0.00 O ATOM 0 H GLU B 35 91.930 -11.424 33.001 1.00 0.00 H new ATOM 0 HA GLU B 35 89.105 -11.796 33.221 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.419 -10.868 31.243 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.972 -12.495 30.901 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.998 -11.866 31.170 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.834 -11.646 29.646 1.00 0.00 H new ATOM 1388 N ILE B 36 90.886 -14.553 32.907 1.00 0.00 N ATOM 1389 CA ILE B 36 90.746 -16.031 33.038 1.00 0.00 C ATOM 1390 C ILE B 36 90.103 -16.327 34.394 1.00 0.00 C ATOM 1391 O ILE B 36 89.215 -17.149 34.508 1.00 0.00 O ATOM 1392 CB ILE B 36 92.126 -16.692 32.946 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.688 -16.505 31.531 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.002 -18.189 33.231 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.163 -16.934 31.481 1.00 0.00 C ATOM 0 H ILE B 36 91.839 -14.210 32.788 1.00 0.00 H new ATOM 0 HA ILE B 36 90.123 -16.429 32.237 1.00 0.00 H new ATOM 0 HB ILE B 36 92.791 -16.231 33.677 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.107 -17.094 30.821 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.596 -15.461 31.231 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.985 -18.655 33.164 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.598 -18.336 34.232 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.335 -18.645 32.500 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.548 -16.796 30.471 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.742 -16.327 32.176 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.246 -17.984 31.760 1.00 0.00 H new ATOM 1407 N VAL B 37 90.520 -15.629 35.414 1.00 0.00 N ATOM 1408 CA VAL B 37 89.911 -15.825 36.759 1.00 0.00 C ATOM 1409 C VAL B 37 88.457 -15.353 36.688 1.00 0.00 C ATOM 1410 O VAL B 37 87.562 -15.963 37.241 1.00 0.00 O ATOM 1411 CB VAL B 37 90.684 -14.993 37.788 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.932 -14.981 39.120 1.00 0.00 C ATOM 1413 CG2 VAL B 37 92.071 -15.610 37.995 1.00 0.00 C ATOM 0 H VAL B 37 91.260 -14.928 35.373 1.00 0.00 H new ATOM 0 HA VAL B 37 89.950 -16.873 37.055 1.00 0.00 H new ATOM 0 HB VAL B 37 90.783 -13.971 37.423 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.488 -14.388 39.846 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.943 -14.545 38.976 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.828 -16.002 39.489 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.625 -15.022 38.726 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.964 -16.632 38.357 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.612 -15.615 37.049 1.00 0.00 H new ATOM 1423 N ALA B 38 88.222 -14.269 35.999 1.00 0.00 N ATOM 1424 CA ALA B 38 86.836 -13.741 35.866 1.00 0.00 C ATOM 1425 C ALA B 38 85.944 -14.799 35.207 1.00 0.00 C ATOM 1426 O ALA B 38 84.734 -14.753 35.308 1.00 0.00 O ATOM 1427 CB ALA B 38 86.855 -12.475 35.001 1.00 0.00 C ATOM 0 H ALA B 38 88.938 -13.723 35.519 1.00 0.00 H new ATOM 0 HA ALA B 38 86.442 -13.502 36.854 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.841 -12.087 34.902 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.488 -11.722 35.471 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.249 -12.715 34.014 1.00 0.00 H new ATOM 1433 N SER B 39 86.532 -15.751 34.530 1.00 0.00 N ATOM 1434 CA SER B 39 85.716 -16.806 33.861 1.00 0.00 C ATOM 1435 C SER B 39 85.449 -17.932 34.855 1.00 0.00 C ATOM 1436 O SER B 39 84.329 -18.372 35.026 1.00 0.00 O ATOM 1437 CB SER B 39 86.483 -17.361 32.660 1.00 0.00 C ATOM 1438 OG SER B 39 86.748 -16.305 31.746 1.00 0.00 O ATOM 0 H SER B 39 87.541 -15.843 34.412 1.00 0.00 H new ATOM 0 HA SER B 39 84.772 -16.380 33.521 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.417 -17.816 32.989 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.902 -18.143 32.172 1.00 0.00 H new ATOM 0 HG SER B 39 87.389 -15.680 32.145 1.00 0.00 H new ATOM 1444 N CYS B 40 86.463 -18.391 35.529 1.00 0.00 N ATOM 1445 CA CYS B 40 86.255 -19.471 36.527 1.00 0.00 C ATOM 1446 C CYS B 40 85.257 -18.971 37.575 1.00 0.00 C ATOM 1447 O CYS B 40 85.406 -17.896 38.119 1.00 0.00 O ATOM 1448 CB CYS B 40 87.592 -19.814 37.190 1.00 0.00 C ATOM 1449 SG CYS B 40 87.515 -21.483 37.888 1.00 0.00 S ATOM 0 H CYS B 40 87.425 -18.066 35.432 1.00 0.00 H new ATOM 0 HA CYS B 40 85.865 -20.368 36.046 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.398 -19.752 36.459 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.816 -19.091 37.974 1.00 0.00 H new ATOM 0 HG CYS B 40 88.652 -21.772 38.448 1.00 0.00 H new ATOM 1454 N ASP B 41 84.234 -19.727 37.851 1.00 0.00 N ATOM 1455 CA ASP B 41 83.227 -19.275 38.849 1.00 0.00 C ATOM 1456 C ASP B 41 83.761 -19.490 40.269 1.00 0.00 C ATOM 1457 O ASP B 41 83.414 -18.774 41.187 1.00 0.00 O ATOM 1458 CB ASP B 41 81.938 -20.078 38.668 1.00 0.00 C ATOM 1459 CG ASP B 41 81.262 -19.672 37.358 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.571 -18.600 36.861 1.00 0.00 O ATOM 1461 OD2 ASP B 41 80.450 -20.441 36.868 1.00 0.00 O ATOM 0 H ASP B 41 84.051 -20.638 37.430 1.00 0.00 H new ATOM 0 HA ASP B 41 83.027 -18.214 38.698 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.160 -21.145 38.659 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.265 -19.900 39.507 1.00 0.00 H new ATOM 1466 N LYS B 42 84.582 -20.485 40.460 1.00 0.00 N ATOM 1467 CA LYS B 42 85.111 -20.760 41.826 1.00 0.00 C ATOM 1468 C LYS B 42 86.137 -19.698 42.244 1.00 0.00 C ATOM 1469 O LYS B 42 86.130 -19.233 43.367 1.00 0.00 O ATOM 1470 CB LYS B 42 85.784 -22.134 41.830 1.00 0.00 C ATOM 1471 CG LYS B 42 84.733 -23.217 41.583 1.00 0.00 C ATOM 1472 CD LYS B 42 85.403 -24.592 41.586 1.00 0.00 C ATOM 1473 CE LYS B 42 84.348 -25.671 41.341 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.760 -25.487 39.984 1.00 0.00 N ATOM 0 H LYS B 42 84.909 -21.119 39.731 1.00 0.00 H new ATOM 0 HA LYS B 42 84.281 -20.736 42.532 1.00 0.00 H new ATOM 0 HB2 LYS B 42 86.553 -22.176 41.059 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.280 -22.305 42.785 1.00 0.00 H new ATOM 0 HG2 LYS B 42 83.964 -23.174 42.354 1.00 0.00 H new ATOM 0 HG3 LYS B 42 84.237 -23.045 40.628 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.171 -24.636 40.814 1.00 0.00 H new ATOM 0 HD3 LYS B 42 85.901 -24.764 42.540 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.797 -26.661 41.424 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.567 -25.611 42.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.327 -26.379 39.669 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.034 -24.743 40.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.508 -25.211 39.316 1.00 0.00 H new ATOM 1488 N CYS B 43 87.026 -19.315 41.366 1.00 0.00 N ATOM 1489 CA CYS B 43 88.050 -18.294 41.747 1.00 0.00 C ATOM 1490 C CYS B 43 87.452 -16.886 41.699 1.00 0.00 C ATOM 1491 O CYS B 43 87.954 -15.975 42.326 1.00 0.00 O ATOM 1492 CB CYS B 43 89.246 -18.373 40.798 1.00 0.00 C ATOM 1493 SG CYS B 43 90.042 -19.989 40.965 1.00 0.00 S ATOM 0 H CYS B 43 87.089 -19.661 40.408 1.00 0.00 H new ATOM 0 HA CYS B 43 88.379 -18.502 42.765 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.918 -18.222 39.769 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.958 -17.580 41.026 1.00 0.00 H new ATOM 0 HG CYS B 43 91.058 -20.058 40.157 1.00 0.00 H new ATOM 1498 N GLN B 44 86.399 -16.686 40.955 1.00 0.00 N ATOM 1499 CA GLN B 44 85.809 -15.319 40.877 1.00 0.00 C ATOM 1500 C GLN B 44 85.189 -14.936 42.224 1.00 0.00 C ATOM 1501 O GLN B 44 85.442 -13.872 42.752 1.00 0.00 O ATOM 1502 CB GLN B 44 84.735 -15.284 39.791 1.00 0.00 C ATOM 1503 CG GLN B 44 84.224 -13.851 39.634 1.00 0.00 C ATOM 1504 CD GLN B 44 83.315 -13.767 38.407 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.400 -12.729 37.622 1.00 0.00 O flip ATOM 1506 NE2 GLN B 44 82.526 -14.656 38.158 1.00 0.00 N flip ATOM 0 H GLN B 44 85.925 -17.401 40.403 1.00 0.00 H new ATOM 0 HA GLN B 44 86.597 -14.607 40.632 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.144 -15.642 38.846 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.913 -15.949 40.055 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.677 -13.549 40.527 1.00 0.00 H new ATOM 0 HG3 GLN B 44 85.063 -13.164 39.526 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.461 -15.467 38.773 1.00 0.00 H new ATOM 0 HE22 GLN B 44 81.929 -14.592 37.334 1.00 0.00 H new ATOM 1515 N LEU B 45 84.385 -15.795 42.790 1.00 0.00 N ATOM 1516 CA LEU B 45 83.754 -15.477 44.108 1.00 0.00 C ATOM 1517 C LEU B 45 84.714 -15.879 45.233 1.00 0.00 C ATOM 1518 O LEU B 45 85.414 -16.868 45.138 1.00 0.00 O ATOM 1519 CB LEU B 45 82.446 -16.259 44.252 1.00 0.00 C ATOM 1520 CG LEU B 45 81.484 -15.901 43.111 1.00 0.00 C ATOM 1521 CD1 LEU B 45 80.189 -16.703 43.280 1.00 0.00 C ATOM 1522 CD2 LEU B 45 81.162 -14.396 43.134 1.00 0.00 C ATOM 0 H LEU B 45 84.136 -16.704 42.399 1.00 0.00 H new ATOM 0 HA LEU B 45 83.544 -14.409 44.166 1.00 0.00 H new ATOM 0 HB2 LEU B 45 82.651 -17.329 44.242 1.00 0.00 H new ATOM 0 HB3 LEU B 45 81.983 -16.033 45.212 1.00 0.00 H new ATOM 0 HG LEU B 45 81.953 -16.144 42.158 1.00 0.00 H new ATOM 0 HD11 LEU B 45 79.499 -16.455 42.473 1.00 0.00 H new ATOM 0 HD12 LEU B 45 80.415 -17.769 43.249 1.00 0.00 H new ATOM 0 HD13 LEU B 45 79.731 -16.456 44.238 1.00 0.00 H new ATOM 0 HD21 LEU B 45 80.479 -14.158 42.319 1.00 0.00 H new ATOM 0 HD22 LEU B 45 80.696 -14.138 44.085 1.00 0.00 H new ATOM 0 HD23 LEU B 45 82.083 -13.825 43.014 1.00 0.00 H new