USER MOD reduce.3.24.130724 H: found=0, std=0, add=1121, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1123 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 109 MET CE :methyl 141:sc= -3.55! (180deg=-5.47!) USER MOD Set 1.2: A 124 MET CE :methyl -175:sc= -3.05! (180deg=-1.99!) USER MOD Set 2.1: A 60 ASN : amide:sc= -0.875 K(o=-1.2,f=-11!) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= -0.368 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.288 K(o=-1.4,f=-0.75) USER MOD Set 3.2: A 53 ASN : amide:sc= -1.07 K(o=-1.4,f=-2.6!) USER MOD Single : A 8 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -114:sc= -0.147 (180deg=-1.58) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0422 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.3 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 36 MET CE :methyl -109:sc= -4.05 (180deg=-10.9!) USER MOD Single : A 38 SER OG : rot 70:sc= -3.9! USER MOD Single : A 41 GLN : amide:sc= -0.439 K(o=-0.44,f=-4.2!) USER MOD Single : A 42 ASN : amide:sc= -0.0151 K(o=-0.015,f=-0.94) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 51 MET CE :methyl -138:sc= -3.9 (180deg=-8.17!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -155:sc= -0.637 (180deg=-2.19) USER MOD Single : A 72 MET CE :methyl 163:sc= 0 (180deg=-0.412) USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.306) USER MOD Single : A 97 ASN : amide:sc= 0.112 K(o=0.11,f=-9.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 111 ASN : amide:sc= -0.0281 X(o=-0.028,f=-0.028) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.9) USER MOD Single : A 137 ASN : amide:sc= -0.801 K(o=-0.8,f=-13!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.2!) USER MOD Single : A 144 MET CE :methyl -169:sc= -1.83 (180deg=-2.23) USER MOD Single : A 145 MET CE :methyl -159:sc= -5.72! (180deg=-8.13!) USER MOD Single : A 146 THR OG1 : rot 75:sc= 1.28 USER MOD Single : M 15 LYS NZ :NH3+ -152:sc= -0.373 (180deg=-2.47!) USER MOD Single : M 18 LYS NZ :NH3+ -120:sc= -1.38 (180deg=-3.78!) USER MOD Single : M 30 LYS NZ :NH3+ 135:sc= 0.252 (180deg=0) USER MOD Single : M 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : M 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : M 38 SER OG : rot 140:sc= -0.532 USER MOD ----------------------------------------------------------------- ATOM 103 N GLN A 8 15.824 1.217 13.923 1.00 75.40 N ATOM 104 CA GLN A 8 15.569 -0.042 13.232 1.00 21.13 C ATOM 105 C GLN A 8 16.664 -0.334 12.212 1.00 63.30 C ATOM 106 O GLN A 8 17.283 -1.399 12.239 1.00 54.24 O ATOM 107 CB GLN A 8 14.207 -0.001 12.538 1.00 13.11 C ATOM 108 CG GLN A 8 13.662 -1.375 12.185 1.00 70.41 C ATOM 109 CD GLN A 8 12.148 -1.433 12.232 1.00 12.01 C ATOM 110 OE1 GLN A 8 11.486 -0.434 12.513 1.00 14.35 O ATOM 111 NE2 GLN A 8 11.591 -2.606 11.956 1.00 32.41 N ATOM 0 HA GLN A 8 15.566 -0.840 13.974 1.00 21.13 H new ATOM 0 HB2 GLN A 8 13.494 0.508 13.186 1.00 13.11 H new ATOM 0 HB3 GLN A 8 14.290 0.592 11.628 1.00 13.11 H new ATOM 0 HG2 GLN A 8 14.001 -1.650 11.186 1.00 70.41 H new ATOM 0 HG3 GLN A 8 14.071 -2.112 12.876 1.00 70.41 H new ATOM 0 HE21 GLN A 8 12.178 -3.408 11.728 1.00 32.41 H new ATOM 0 HE22 GLN A 8 10.576 -2.705 11.972 1.00 32.41 H new ATOM 120 N ILE A 9 16.899 0.617 11.314 1.00 35.22 N ATOM 121 CA ILE A 9 17.920 0.461 10.286 1.00 53.02 C ATOM 122 C ILE A 9 19.315 0.409 10.900 1.00 74.23 C ATOM 123 O ILE A 9 20.100 -0.491 10.605 1.00 63.22 O ATOM 124 CB ILE A 9 17.865 1.608 9.260 1.00 42.51 C ATOM 125 CG1 ILE A 9 16.481 1.676 8.611 1.00 43.11 C ATOM 126 CG2 ILE A 9 18.944 1.425 8.203 1.00 52.33 C ATOM 127 CD1 ILE A 9 15.647 2.844 9.087 1.00 10.51 C ATOM 0 H ILE A 9 16.396 1.504 11.278 1.00 35.22 H new ATOM 0 HA ILE A 9 17.715 -0.481 9.777 1.00 53.02 H new ATOM 0 HB ILE A 9 18.048 2.549 9.779 1.00 42.51 H new ATOM 0 HG12 ILE A 9 16.599 1.741 7.529 1.00 43.11 H new ATOM 0 HG13 ILE A 9 15.946 0.749 8.818 1.00 43.11 H new ATOM 0 HG21 ILE A 9 18.892 2.243 7.485 1.00 52.33 H new ATOM 0 HG22 ILE A 9 19.924 1.422 8.680 1.00 52.33 H new ATOM 0 HG23 ILE A 9 18.790 0.478 7.686 1.00 52.33 H new ATOM 0 HD11 ILE A 9 14.680 2.829 8.585 1.00 10.51 H new ATOM 0 HD12 ILE A 9 15.498 2.770 10.164 1.00 10.51 H new ATOM 0 HD13 ILE A 9 16.161 3.777 8.855 1.00 10.51 H new ATOM 139 N ALA A 10 19.615 1.379 11.757 1.00 53.33 N ATOM 140 CA ALA A 10 20.913 1.442 12.416 1.00 44.15 C ATOM 141 C ALA A 10 21.209 0.151 13.171 1.00 71.45 C ATOM 142 O ALA A 10 22.368 -0.198 13.391 1.00 62.10 O ATOM 143 CB ALA A 10 20.968 2.633 13.361 1.00 25.10 C ATOM 0 H ALA A 10 18.976 2.132 12.011 1.00 53.33 H new ATOM 0 HA ALA A 10 21.677 1.566 11.648 1.00 44.15 H new ATOM 0 HB1 ALA A 10 21.943 2.668 13.846 1.00 25.10 H new ATOM 0 HB2 ALA A 10 20.810 3.552 12.797 1.00 25.10 H new ATOM 0 HB3 ALA A 10 20.190 2.533 14.118 1.00 25.10 H new ATOM 149 N GLU A 11 20.153 -0.554 13.565 1.00 72.14 N ATOM 150 CA GLU A 11 20.301 -1.807 14.297 1.00 50.54 C ATOM 151 C GLU A 11 20.738 -2.933 13.364 1.00 32.15 C ATOM 152 O GLU A 11 21.546 -3.784 13.737 1.00 40.10 O ATOM 153 CB GLU A 11 18.986 -2.180 14.984 1.00 0.22 C ATOM 154 CG GLU A 11 18.993 -3.570 15.596 1.00 34.44 C ATOM 155 CD GLU A 11 20.285 -3.880 16.328 1.00 55.15 C ATOM 156 OE1 GLU A 11 20.844 -2.958 16.958 1.00 61.21 O ATOM 157 OE2 GLU A 11 20.736 -5.043 16.269 1.00 0.44 O ATOM 0 H GLU A 11 19.186 -0.279 13.390 1.00 72.14 H new ATOM 0 HA GLU A 11 21.071 -1.667 15.055 1.00 50.54 H new ATOM 0 HB2 GLU A 11 18.774 -1.449 15.765 1.00 0.22 H new ATOM 0 HB3 GLU A 11 18.175 -2.116 14.258 1.00 0.22 H new ATOM 0 HG2 GLU A 11 18.156 -3.662 16.289 1.00 34.44 H new ATOM 0 HG3 GLU A 11 18.839 -4.309 14.810 1.00 34.44 H new ATOM 164 N PHE A 12 20.197 -2.932 12.151 1.00 51.03 N ATOM 165 CA PHE A 12 20.529 -3.954 11.165 1.00 73.11 C ATOM 166 C PHE A 12 21.903 -3.696 10.555 1.00 5.13 C ATOM 167 O PHE A 12 22.722 -4.607 10.431 1.00 73.42 O ATOM 168 CB PHE A 12 19.469 -3.993 10.062 1.00 15.33 C ATOM 169 CG PHE A 12 18.174 -4.618 10.497 1.00 21.31 C ATOM 170 CD1 PHE A 12 18.104 -5.973 10.779 1.00 64.11 C ATOM 171 CD2 PHE A 12 17.027 -3.852 10.624 1.00 1.54 C ATOM 172 CE1 PHE A 12 16.914 -6.551 11.178 1.00 23.33 C ATOM 173 CE2 PHE A 12 15.834 -4.424 11.024 1.00 61.12 C ATOM 174 CZ PHE A 12 15.778 -5.776 11.302 1.00 1.31 C ATOM 0 H PHE A 12 19.527 -2.235 11.827 1.00 51.03 H new ATOM 0 HA PHE A 12 20.551 -4.918 11.673 1.00 73.11 H new ATOM 0 HB2 PHE A 12 19.276 -2.977 9.719 1.00 15.33 H new ATOM 0 HB3 PHE A 12 19.863 -4.547 9.210 1.00 15.33 H new ATOM 0 HD1 PHE A 12 18.990 -6.584 10.686 1.00 64.11 H new ATOM 0 HD2 PHE A 12 17.065 -2.795 10.408 1.00 1.54 H new ATOM 0 HE1 PHE A 12 16.872 -7.609 11.393 1.00 23.33 H new ATOM 0 HE2 PHE A 12 14.947 -3.815 11.119 1.00 61.12 H new ATOM 0 HZ PHE A 12 14.848 -6.226 11.616 1.00 1.31 H new ATOM 184 N LYS A 13 22.151 -2.447 10.176 1.00 54.30 N ATOM 185 CA LYS A 13 23.425 -2.066 9.580 1.00 44.43 C ATOM 186 C LYS A 13 24.585 -2.407 10.510 1.00 70.41 C ATOM 187 O LYS A 13 25.695 -2.683 10.056 1.00 2.34 O ATOM 188 CB LYS A 13 23.436 -0.568 9.263 1.00 63.54 C ATOM 189 CG LYS A 13 23.729 0.307 10.469 1.00 70.30 C ATOM 190 CD LYS A 13 23.732 1.781 10.101 1.00 64.12 C ATOM 191 CE LYS A 13 24.985 2.159 9.325 1.00 21.31 C ATOM 192 NZ LYS A 13 26.160 2.340 10.222 1.00 33.55 N ATOM 0 H LYS A 13 21.485 -1.680 10.271 1.00 54.30 H new ATOM 0 HA LYS A 13 23.547 -2.629 8.654 1.00 44.43 H new ATOM 0 HB2 LYS A 13 24.183 -0.374 8.494 1.00 63.54 H new ATOM 0 HB3 LYS A 13 22.469 -0.286 8.847 1.00 63.54 H new ATOM 0 HG2 LYS A 13 22.982 0.125 11.241 1.00 70.30 H new ATOM 0 HG3 LYS A 13 24.696 0.034 10.891 1.00 70.30 H new ATOM 0 HD2 LYS A 13 22.850 2.010 9.503 1.00 64.12 H new ATOM 0 HD3 LYS A 13 23.668 2.384 11.007 1.00 64.12 H new ATOM 0 HE2 LYS A 13 25.205 1.384 8.591 1.00 21.31 H new ATOM 0 HE3 LYS A 13 24.805 3.081 8.772 1.00 21.31 H new ATOM 0 HZ1 LYS A 13 26.993 2.597 9.655 1.00 33.55 H new ATOM 0 HZ2 LYS A 13 25.961 3.097 10.907 1.00 33.55 H new ATOM 0 HZ3 LYS A 13 26.348 1.453 10.731 1.00 33.55 H new ATOM 206 N GLU A 14 24.318 -2.389 11.812 1.00 4.12 N ATOM 207 CA GLU A 14 25.341 -2.698 12.805 1.00 52.21 C ATOM 208 C GLU A 14 25.763 -4.161 12.714 1.00 62.43 C ATOM 209 O GLU A 14 26.937 -4.491 12.882 1.00 33.32 O ATOM 210 CB GLU A 14 24.826 -2.391 14.213 1.00 74.04 C ATOM 211 CG GLU A 14 25.910 -2.418 15.277 1.00 73.21 C ATOM 212 CD GLU A 14 26.697 -1.124 15.341 1.00 14.43 C ATOM 213 OE1 GLU A 14 27.447 -0.836 14.385 1.00 33.43 O ATOM 214 OE2 GLU A 14 26.562 -0.397 16.348 1.00 35.44 O ATOM 0 H GLU A 14 23.403 -2.164 12.204 1.00 4.12 H new ATOM 0 HA GLU A 14 26.210 -2.074 12.600 1.00 52.21 H new ATOM 0 HB2 GLU A 14 24.354 -1.408 14.212 1.00 74.04 H new ATOM 0 HB3 GLU A 14 24.054 -3.115 14.474 1.00 74.04 H new ATOM 0 HG2 GLU A 14 25.455 -2.611 16.249 1.00 73.21 H new ATOM 0 HG3 GLU A 14 26.592 -3.244 15.075 1.00 73.21 H new ATOM 221 N ALA A 15 24.797 -5.034 12.446 1.00 23.25 N ATOM 222 CA ALA A 15 25.068 -6.462 12.331 1.00 2.23 C ATOM 223 C ALA A 15 25.931 -6.760 11.110 1.00 70.02 C ATOM 224 O ALA A 15 26.798 -7.633 11.148 1.00 71.41 O ATOM 225 CB ALA A 15 23.764 -7.243 12.262 1.00 1.50 C ATOM 0 H ALA A 15 23.820 -4.777 12.305 1.00 23.25 H new ATOM 0 HA ALA A 15 25.619 -6.775 13.218 1.00 2.23 H new ATOM 0 HB1 ALA A 15 23.982 -8.308 12.176 1.00 1.50 H new ATOM 0 HB2 ALA A 15 23.184 -7.063 13.167 1.00 1.50 H new ATOM 0 HB3 ALA A 15 23.191 -6.919 11.393 1.00 1.50 H new ATOM 231 N PHE A 16 25.688 -6.030 10.027 1.00 55.44 N ATOM 232 CA PHE A 16 26.441 -6.217 8.793 1.00 64.54 C ATOM 233 C PHE A 16 27.931 -5.981 9.024 1.00 50.52 C ATOM 234 O PHE A 16 28.762 -6.834 8.713 1.00 32.13 O ATOM 235 CB PHE A 16 25.926 -5.272 7.706 1.00 53.21 C ATOM 236 CG PHE A 16 26.584 -5.476 6.372 1.00 44.24 C ATOM 237 CD1 PHE A 16 26.176 -6.500 5.532 1.00 40.41 C ATOM 238 CD2 PHE A 16 27.612 -4.644 5.957 1.00 54.33 C ATOM 239 CE1 PHE A 16 26.781 -6.690 4.304 1.00 1.10 C ATOM 240 CE2 PHE A 16 28.220 -4.829 4.730 1.00 43.14 C ATOM 241 CZ PHE A 16 27.804 -5.853 3.902 1.00 54.12 C ATOM 0 H PHE A 16 24.975 -5.303 9.979 1.00 55.44 H new ATOM 0 HA PHE A 16 26.300 -7.247 8.465 1.00 64.54 H new ATOM 0 HB2 PHE A 16 24.850 -5.410 7.596 1.00 53.21 H new ATOM 0 HB3 PHE A 16 26.084 -4.242 8.026 1.00 53.21 H new ATOM 0 HD1 PHE A 16 25.376 -7.157 5.840 1.00 40.41 H new ATOM 0 HD2 PHE A 16 27.942 -3.842 6.600 1.00 54.33 H new ATOM 0 HE1 PHE A 16 26.454 -7.492 3.659 1.00 1.10 H new ATOM 0 HE2 PHE A 16 29.020 -4.173 4.419 1.00 43.14 H new ATOM 0 HZ PHE A 16 28.277 -5.999 2.942 1.00 54.12 H new ATOM 251 N SER A 17 28.261 -4.815 9.571 1.00 53.34 N ATOM 252 CA SER A 17 29.650 -4.462 9.840 1.00 71.33 C ATOM 253 C SER A 17 30.314 -5.510 10.728 1.00 71.23 C ATOM 254 O SER A 17 31.527 -5.713 10.668 1.00 44.00 O ATOM 255 CB SER A 17 29.729 -3.088 10.507 1.00 45.34 C ATOM 256 OG SER A 17 31.068 -2.754 10.829 1.00 24.22 O ATOM 0 H SER A 17 27.585 -4.099 9.837 1.00 53.34 H new ATOM 0 HA SER A 17 30.181 -4.427 8.889 1.00 71.33 H new ATOM 0 HB2 SER A 17 29.312 -2.332 9.841 1.00 45.34 H new ATOM 0 HB3 SER A 17 29.122 -3.084 11.412 1.00 45.34 H new ATOM 0 HG SER A 17 31.092 -1.871 11.253 1.00 24.22 H new ATOM 262 N LEU A 18 29.510 -6.174 11.551 1.00 10.43 N ATOM 263 CA LEU A 18 30.018 -7.202 12.453 1.00 11.42 C ATOM 264 C LEU A 18 30.560 -8.393 11.670 1.00 34.43 C ATOM 265 O LEU A 18 31.598 -8.957 12.016 1.00 3.44 O ATOM 266 CB LEU A 18 28.914 -7.662 13.407 1.00 71.35 C ATOM 267 CG LEU A 18 29.377 -8.404 14.661 1.00 73.42 C ATOM 268 CD1 LEU A 18 30.347 -7.548 15.460 1.00 32.41 C ATOM 269 CD2 LEU A 18 28.183 -8.801 15.517 1.00 73.43 C ATOM 0 H LEU A 18 28.504 -6.019 11.612 1.00 10.43 H new ATOM 0 HA LEU A 18 30.834 -6.771 13.033 1.00 11.42 H new ATOM 0 HB2 LEU A 18 28.342 -6.788 13.717 1.00 71.35 H new ATOM 0 HB3 LEU A 18 28.232 -8.310 12.856 1.00 71.35 H new ATOM 0 HG LEU A 18 29.895 -9.312 14.352 1.00 73.42 H new ATOM 0 HD11 LEU A 18 30.666 -8.093 16.349 1.00 32.41 H new ATOM 0 HD12 LEU A 18 31.217 -7.314 14.846 1.00 32.41 H new ATOM 0 HD13 LEU A 18 29.855 -6.623 15.759 1.00 32.41 H new ATOM 0 HD21 LEU A 18 28.531 -9.328 16.405 1.00 73.43 H new ATOM 0 HD22 LEU A 18 27.637 -7.907 15.817 1.00 73.43 H new ATOM 0 HD23 LEU A 18 27.525 -9.453 14.943 1.00 73.43 H new ATOM 281 N PHE A 19 29.850 -8.772 10.612 1.00 0.52 N ATOM 282 CA PHE A 19 30.260 -9.896 9.779 1.00 41.22 C ATOM 283 C PHE A 19 31.346 -9.474 8.793 1.00 31.41 C ATOM 284 O PHE A 19 32.133 -10.300 8.330 1.00 3.10 O ATOM 285 CB PHE A 19 29.058 -10.461 9.020 1.00 53.42 C ATOM 286 CG PHE A 19 28.198 -11.371 9.850 1.00 44.21 C ATOM 287 CD1 PHE A 19 28.494 -12.721 9.953 1.00 51.31 C ATOM 288 CD2 PHE A 19 27.096 -10.877 10.528 1.00 54.34 C ATOM 289 CE1 PHE A 19 27.704 -13.560 10.715 1.00 24.44 C ATOM 290 CE2 PHE A 19 26.303 -11.712 11.292 1.00 14.31 C ATOM 291 CZ PHE A 19 26.608 -13.055 11.387 1.00 61.21 C ATOM 0 H PHE A 19 28.988 -8.317 10.312 1.00 0.52 H new ATOM 0 HA PHE A 19 30.666 -10.670 10.430 1.00 41.22 H new ATOM 0 HB2 PHE A 19 28.450 -9.635 8.653 1.00 53.42 H new ATOM 0 HB3 PHE A 19 29.414 -11.008 8.147 1.00 53.42 H new ATOM 0 HD1 PHE A 19 29.351 -13.121 9.432 1.00 51.31 H new ATOM 0 HD2 PHE A 19 26.854 -9.827 10.459 1.00 54.34 H new ATOM 0 HE1 PHE A 19 27.943 -14.611 10.785 1.00 24.44 H new ATOM 0 HE2 PHE A 19 25.445 -11.314 11.814 1.00 14.31 H new ATOM 0 HZ PHE A 19 25.991 -13.709 11.985 1.00 61.21 H new ATOM 301 N ASP A 20 31.381 -8.185 8.477 1.00 52.35 N ATOM 302 CA ASP A 20 32.370 -7.652 7.546 1.00 34.23 C ATOM 303 C ASP A 20 33.715 -7.455 8.237 1.00 22.35 C ATOM 304 O ASP A 20 33.933 -6.456 8.922 1.00 5.33 O ATOM 305 CB ASP A 20 31.886 -6.326 6.958 1.00 75.00 C ATOM 306 CG ASP A 20 32.356 -6.119 5.532 1.00 63.12 C ATOM 307 OD1 ASP A 20 33.109 -6.977 5.025 1.00 71.34 O ATOM 308 OD2 ASP A 20 31.972 -5.099 4.923 1.00 74.44 O ATOM 0 H ASP A 20 30.736 -7.489 8.851 1.00 52.35 H new ATOM 0 HA ASP A 20 32.498 -8.373 6.739 1.00 34.23 H new ATOM 0 HB2 ASP A 20 30.797 -6.295 6.986 1.00 75.00 H new ATOM 0 HB3 ASP A 20 32.244 -5.505 7.578 1.00 75.00 H new ATOM 313 N LYS A 21 34.615 -8.416 8.054 1.00 12.14 N ATOM 314 CA LYS A 21 35.940 -8.350 8.660 1.00 53.55 C ATOM 315 C LYS A 21 36.726 -7.160 8.117 1.00 24.54 C ATOM 316 O LYS A 21 37.329 -6.404 8.879 1.00 52.52 O ATOM 317 CB LYS A 21 36.709 -9.646 8.396 1.00 33.23 C ATOM 318 CG LYS A 21 36.410 -10.745 9.401 1.00 32.31 C ATOM 319 CD LYS A 21 37.466 -10.806 10.492 1.00 62.24 C ATOM 320 CE LYS A 21 37.240 -9.734 11.547 1.00 64.50 C ATOM 321 NZ LYS A 21 37.946 -8.467 11.210 1.00 23.24 N ATOM 0 H LYS A 21 34.451 -9.250 7.491 1.00 12.14 H new ATOM 0 HA LYS A 21 35.816 -8.222 9.735 1.00 53.55 H new ATOM 0 HB2 LYS A 21 36.468 -10.005 7.395 1.00 33.23 H new ATOM 0 HB3 LYS A 21 37.778 -9.434 8.409 1.00 33.23 H new ATOM 0 HG2 LYS A 21 35.432 -10.573 9.850 1.00 32.31 H new ATOM 0 HG3 LYS A 21 36.360 -11.705 8.887 1.00 32.31 H new ATOM 0 HD2 LYS A 21 37.449 -11.789 10.962 1.00 62.24 H new ATOM 0 HD3 LYS A 21 38.455 -10.681 10.050 1.00 62.24 H new ATOM 0 HE2 LYS A 21 36.172 -9.540 11.644 1.00 64.50 H new ATOM 0 HE3 LYS A 21 37.587 -10.097 12.514 1.00 64.50 H new ATOM 0 HZ1 LYS A 21 38.694 -8.290 11.910 1.00 23.24 H new ATOM 0 HZ2 LYS A 21 38.369 -8.547 10.263 1.00 23.24 H new ATOM 0 HZ3 LYS A 21 37.268 -7.678 11.221 1.00 23.24 H new ATOM 335 N ASP A 22 36.716 -7.002 6.799 1.00 55.44 N ATOM 336 CA ASP A 22 37.426 -5.903 6.155 1.00 42.21 C ATOM 337 C ASP A 22 36.552 -4.654 6.090 1.00 23.15 C ATOM 338 O ASP A 22 37.026 -3.569 5.756 1.00 71.25 O ATOM 339 CB ASP A 22 37.865 -6.307 4.746 1.00 11.44 C ATOM 340 CG ASP A 22 36.699 -6.404 3.783 1.00 72.25 C ATOM 341 OD1 ASP A 22 35.547 -6.509 4.253 1.00 34.22 O ATOM 342 OD2 ASP A 22 36.938 -6.375 2.557 1.00 3.14 O ATOM 0 H ASP A 22 36.224 -7.621 6.155 1.00 55.44 H new ATOM 0 HA ASP A 22 38.309 -5.675 6.752 1.00 42.21 H new ATOM 0 HB2 ASP A 22 38.584 -5.579 4.370 1.00 11.44 H new ATOM 0 HB3 ASP A 22 38.378 -7.268 4.790 1.00 11.44 H new ATOM 347 N GLY A 23 35.273 -4.816 6.413 1.00 75.00 N ATOM 348 CA GLY A 23 34.353 -3.694 6.384 1.00 34.02 C ATOM 349 C GLY A 23 34.398 -2.941 5.069 1.00 13.15 C ATOM 350 O GLY A 23 34.453 -1.711 5.052 1.00 31.14 O ATOM 0 H GLY A 23 34.857 -5.704 6.694 1.00 75.00 H new ATOM 0 HA2 GLY A 23 33.339 -4.055 6.558 1.00 34.02 H new ATOM 0 HA3 GLY A 23 34.592 -3.011 7.199 1.00 34.02 H new ATOM 354 N ASP A 24 34.376 -3.679 3.966 1.00 72.55 N ATOM 355 CA ASP A 24 34.415 -3.074 2.640 1.00 42.25 C ATOM 356 C ASP A 24 33.007 -2.757 2.145 1.00 44.31 C ATOM 357 O ASP A 24 32.830 -2.019 1.176 1.00 23.32 O ATOM 358 CB ASP A 24 35.119 -4.005 1.651 1.00 51.11 C ATOM 359 CG ASP A 24 34.312 -5.255 1.358 1.00 3.32 C ATOM 360 OD1 ASP A 24 33.418 -5.587 2.165 1.00 43.22 O ATOM 361 OD2 ASP A 24 34.574 -5.900 0.322 1.00 24.42 O ATOM 0 H ASP A 24 34.331 -4.698 3.963 1.00 72.55 H new ATOM 0 HA ASP A 24 34.975 -2.141 2.710 1.00 42.25 H new ATOM 0 HB2 ASP A 24 35.304 -3.469 0.720 1.00 51.11 H new ATOM 0 HB3 ASP A 24 36.091 -4.290 2.053 1.00 51.11 H new ATOM 366 N GLY A 25 32.008 -3.320 2.817 1.00 22.32 N ATOM 367 CA GLY A 25 30.629 -3.087 2.431 1.00 41.44 C ATOM 368 C GLY A 25 30.013 -4.282 1.731 1.00 53.54 C ATOM 369 O GLY A 25 28.947 -4.174 1.123 1.00 41.33 O ATOM 0 H GLY A 25 32.129 -3.934 3.623 1.00 22.32 H new ATOM 0 HA2 GLY A 25 30.042 -2.847 3.318 1.00 41.44 H new ATOM 0 HA3 GLY A 25 30.581 -2.220 1.773 1.00 41.44 H new ATOM 373 N THR A 26 30.685 -5.426 1.814 1.00 53.34 N ATOM 374 CA THR A 26 30.198 -6.645 1.181 1.00 23.31 C ATOM 375 C THR A 26 30.737 -7.884 1.888 1.00 11.21 C ATOM 376 O THR A 26 31.888 -7.909 2.326 1.00 54.14 O ATOM 377 CB THR A 26 30.595 -6.704 -0.306 1.00 44.41 C ATOM 378 OG1 THR A 26 31.896 -6.133 -0.489 1.00 20.14 O ATOM 379 CG2 THR A 26 29.585 -5.960 -1.166 1.00 14.23 C ATOM 0 H THR A 26 31.568 -5.534 2.313 1.00 53.34 H new ATOM 0 HA THR A 26 29.111 -6.629 1.259 1.00 23.31 H new ATOM 0 HB THR A 26 30.610 -7.750 -0.613 1.00 44.41 H new ATOM 0 HG1 THR A 26 32.142 -6.176 -1.437 1.00 20.14 H new ATOM 0 HG21 THR A 26 29.887 -6.016 -2.212 1.00 14.23 H new ATOM 0 HG22 THR A 26 28.601 -6.414 -1.047 1.00 14.23 H new ATOM 0 HG23 THR A 26 29.542 -4.916 -0.856 1.00 14.23 H new ATOM 387 N ILE A 27 29.899 -8.909 1.996 1.00 73.11 N ATOM 388 CA ILE A 27 30.292 -10.152 2.649 1.00 44.54 C ATOM 389 C ILE A 27 30.627 -11.229 1.623 1.00 63.20 C ATOM 390 O ILE A 27 29.816 -11.548 0.753 1.00 20.51 O ATOM 391 CB ILE A 27 29.184 -10.673 3.581 1.00 34.34 C ATOM 392 CG1 ILE A 27 28.665 -9.544 4.474 1.00 75.10 C ATOM 393 CG2 ILE A 27 29.702 -11.828 4.426 1.00 13.20 C ATOM 394 CD1 ILE A 27 27.523 -9.962 5.375 1.00 43.13 C ATOM 0 H ILE A 27 28.943 -8.904 1.640 1.00 73.11 H new ATOM 0 HA ILE A 27 31.179 -9.930 3.242 1.00 44.54 H new ATOM 0 HB ILE A 27 28.358 -11.037 2.970 1.00 34.34 H new ATOM 0 HG12 ILE A 27 29.485 -9.172 5.089 1.00 75.10 H new ATOM 0 HG13 ILE A 27 28.337 -8.716 3.845 1.00 75.10 H new ATOM 0 HG21 ILE A 27 28.907 -12.186 5.080 1.00 13.20 H new ATOM 0 HG22 ILE A 27 30.028 -12.638 3.774 1.00 13.20 H new ATOM 0 HG23 ILE A 27 30.543 -11.488 5.030 1.00 13.20 H new ATOM 0 HD11 ILE A 27 27.206 -9.112 5.979 1.00 43.13 H new ATOM 0 HD12 ILE A 27 26.687 -10.306 4.767 1.00 43.13 H new ATOM 0 HD13 ILE A 27 27.852 -10.769 6.029 1.00 43.13 H new ATOM 406 N THR A 28 31.828 -11.789 1.731 1.00 22.14 N ATOM 407 CA THR A 28 32.271 -12.832 0.814 1.00 1.35 C ATOM 408 C THR A 28 32.357 -14.182 1.517 1.00 3.32 C ATOM 409 O THR A 28 32.164 -14.276 2.730 1.00 62.22 O ATOM 410 CB THR A 28 33.644 -12.496 0.203 1.00 42.44 C ATOM 411 OG1 THR A 28 34.657 -12.547 1.214 1.00 71.24 O ATOM 412 CG2 THR A 28 33.629 -11.115 -0.437 1.00 35.33 C ATOM 0 H THR A 28 32.512 -11.537 2.445 1.00 22.14 H new ATOM 0 HA THR A 28 31.530 -12.887 0.016 1.00 1.35 H new ATOM 0 HB THR A 28 33.863 -13.235 -0.568 1.00 42.44 H new ATOM 0 HG1 THR A 28 35.527 -12.333 0.817 1.00 71.24 H new ATOM 0 HG21 THR A 28 34.610 -10.900 -0.862 1.00 35.33 H new ATOM 0 HG22 THR A 28 32.878 -11.088 -1.226 1.00 35.33 H new ATOM 0 HG23 THR A 28 33.389 -10.367 0.318 1.00 35.33 H new ATOM 420 N THR A 29 32.649 -15.226 0.748 1.00 22.44 N ATOM 421 CA THR A 29 32.761 -16.572 1.297 1.00 14.23 C ATOM 422 C THR A 29 33.871 -16.650 2.339 1.00 72.50 C ATOM 423 O THR A 29 33.786 -17.421 3.296 1.00 53.14 O ATOM 424 CB THR A 29 33.035 -17.609 0.192 1.00 42.32 C ATOM 425 OG1 THR A 29 34.315 -17.364 -0.402 1.00 72.05 O ATOM 426 CG2 THR A 29 31.955 -17.557 -0.878 1.00 63.44 C ATOM 0 H THR A 29 32.812 -15.166 -0.257 1.00 22.44 H new ATOM 0 HA THR A 29 31.806 -16.801 1.770 1.00 14.23 H new ATOM 0 HB THR A 29 33.028 -18.601 0.644 1.00 42.32 H new ATOM 0 HG1 THR A 29 34.483 -18.028 -1.103 1.00 72.05 H new ATOM 0 HG21 THR A 29 32.170 -18.298 -1.648 1.00 63.44 H new ATOM 0 HG22 THR A 29 30.986 -17.772 -0.428 1.00 63.44 H new ATOM 0 HG23 THR A 29 31.934 -16.564 -1.326 1.00 63.44 H new ATOM 434 N LYS A 30 34.913 -15.848 2.148 1.00 34.13 N ATOM 435 CA LYS A 30 36.040 -15.825 3.072 1.00 2.33 C ATOM 436 C LYS A 30 35.706 -15.010 4.318 1.00 41.01 C ATOM 437 O LYS A 30 35.906 -15.469 5.442 1.00 51.20 O ATOM 438 CB LYS A 30 37.277 -15.242 2.385 1.00 1.32 C ATOM 439 CG LYS A 30 37.970 -16.218 1.450 1.00 2.42 C ATOM 440 CD LYS A 30 37.383 -16.161 0.050 1.00 71.10 C ATOM 441 CE LYS A 30 37.880 -14.944 -0.714 1.00 43.24 C ATOM 442 NZ LYS A 30 39.250 -15.153 -1.261 1.00 32.34 N ATOM 0 H LYS A 30 35.000 -15.205 1.361 1.00 34.13 H new ATOM 0 HA LYS A 30 36.250 -16.851 3.376 1.00 2.33 H new ATOM 0 HB2 LYS A 30 36.985 -14.356 1.821 1.00 1.32 H new ATOM 0 HB3 LYS A 30 37.985 -14.916 3.146 1.00 1.32 H new ATOM 0 HG2 LYS A 30 39.035 -15.990 1.409 1.00 2.42 H new ATOM 0 HG3 LYS A 30 37.876 -17.230 1.844 1.00 2.42 H new ATOM 0 HD2 LYS A 30 37.649 -17.067 -0.494 1.00 71.10 H new ATOM 0 HD3 LYS A 30 36.295 -16.134 0.111 1.00 71.10 H new ATOM 0 HE2 LYS A 30 37.193 -14.722 -1.531 1.00 43.24 H new ATOM 0 HE3 LYS A 30 37.881 -14.076 -0.054 1.00 43.24 H new ATOM 0 HZ1 LYS A 30 39.552 -14.301 -1.775 1.00 32.34 H new ATOM 0 HZ2 LYS A 30 39.911 -15.339 -0.480 1.00 32.34 H new ATOM 0 HZ3 LYS A 30 39.244 -15.965 -1.911 1.00 32.34 H new ATOM 456 N GLU A 31 35.196 -13.800 4.109 1.00 35.41 N ATOM 457 CA GLU A 31 34.834 -12.923 5.216 1.00 35.33 C ATOM 458 C GLU A 31 33.750 -13.559 6.083 1.00 63.54 C ATOM 459 O GLU A 31 33.718 -13.366 7.299 1.00 45.13 O ATOM 460 CB GLU A 31 34.351 -11.571 4.688 1.00 54.01 C ATOM 461 CG GLU A 31 35.393 -10.831 3.866 1.00 33.21 C ATOM 462 CD GLU A 31 34.779 -10.008 2.750 1.00 20.21 C ATOM 463 OE1 GLU A 31 33.537 -9.875 2.726 1.00 44.10 O ATOM 464 OE2 GLU A 31 35.539 -9.498 1.901 1.00 4.13 O ATOM 0 H GLU A 31 35.024 -13.405 3.184 1.00 35.41 H new ATOM 0 HA GLU A 31 35.722 -12.770 5.829 1.00 35.33 H new ATOM 0 HB2 GLU A 31 33.462 -11.726 4.077 1.00 54.01 H new ATOM 0 HB3 GLU A 31 34.054 -10.946 5.531 1.00 54.01 H new ATOM 0 HG2 GLU A 31 35.969 -10.177 4.520 1.00 33.21 H new ATOM 0 HG3 GLU A 31 36.092 -11.551 3.440 1.00 33.21 H new ATOM 471 N LEU A 32 32.864 -14.319 5.448 1.00 11.22 N ATOM 472 CA LEU A 32 31.778 -14.984 6.160 1.00 52.23 C ATOM 473 C LEU A 32 32.298 -16.177 6.955 1.00 71.24 C ATOM 474 O LEU A 32 32.088 -16.270 8.163 1.00 2.13 O ATOM 475 CB LEU A 32 30.702 -15.443 5.174 1.00 51.11 C ATOM 476 CG LEU A 32 29.301 -15.640 5.753 1.00 13.15 C ATOM 477 CD1 LEU A 32 28.288 -15.857 4.640 1.00 40.22 C ATOM 478 CD2 LEU A 32 29.285 -16.810 6.726 1.00 24.20 C ATOM 0 H LEU A 32 32.876 -14.490 4.442 1.00 11.22 H new ATOM 0 HA LEU A 32 31.342 -14.269 6.858 1.00 52.23 H new ATOM 0 HB2 LEU A 32 30.641 -14.712 4.368 1.00 51.11 H new ATOM 0 HB3 LEU A 32 31.024 -16.384 4.727 1.00 51.11 H new ATOM 0 HG LEU A 32 29.024 -14.737 6.297 1.00 13.15 H new ATOM 0 HD11 LEU A 32 27.297 -15.995 5.072 1.00 40.22 H new ATOM 0 HD12 LEU A 32 28.279 -14.988 3.982 1.00 40.22 H new ATOM 0 HD13 LEU A 32 28.561 -16.743 4.067 1.00 40.22 H new ATOM 0 HD21 LEU A 32 28.280 -16.935 7.128 1.00 24.20 H new ATOM 0 HD22 LEU A 32 29.584 -17.720 6.206 1.00 24.20 H new ATOM 0 HD23 LEU A 32 29.980 -16.614 7.542 1.00 24.20 H new ATOM 490 N GLY A 33 32.980 -17.088 6.267 1.00 73.42 N ATOM 491 CA GLY A 33 33.521 -18.263 6.925 1.00 2.23 C ATOM 492 C GLY A 33 34.355 -17.913 8.142 1.00 51.32 C ATOM 493 O GLY A 33 34.463 -18.704 9.079 1.00 31.03 O ATOM 0 H GLY A 33 33.167 -17.033 5.266 1.00 73.42 H new ATOM 0 HA2 GLY A 33 32.702 -18.917 7.225 1.00 2.23 H new ATOM 0 HA3 GLY A 33 34.133 -18.823 6.218 1.00 2.23 H new ATOM 497 N THR A 34 34.949 -16.723 8.128 1.00 32.32 N ATOM 498 CA THR A 34 35.780 -16.271 9.237 1.00 73.22 C ATOM 499 C THR A 34 34.960 -16.125 10.514 1.00 44.20 C ATOM 500 O THR A 34 35.247 -16.767 11.524 1.00 34.43 O ATOM 501 CB THR A 34 36.458 -14.925 8.918 1.00 33.23 C ATOM 502 OG1 THR A 34 37.205 -15.029 7.701 1.00 23.14 O ATOM 503 CG2 THR A 34 37.380 -14.502 10.052 1.00 61.34 C ATOM 0 H THR A 34 34.870 -16.055 7.361 1.00 32.32 H new ATOM 0 HA THR A 34 36.548 -17.030 9.387 1.00 73.22 H new ATOM 0 HB THR A 34 35.681 -14.170 8.802 1.00 33.23 H new ATOM 0 HG1 THR A 34 36.589 -15.033 6.939 1.00 23.14 H new ATOM 0 HG21 THR A 34 37.848 -13.549 9.804 1.00 61.34 H new ATOM 0 HG22 THR A 34 36.802 -14.395 10.970 1.00 61.34 H new ATOM 0 HG23 THR A 34 38.152 -15.258 10.195 1.00 61.34 H new ATOM 511 N VAL A 35 33.939 -15.276 10.462 1.00 11.33 N ATOM 512 CA VAL A 35 33.076 -15.046 11.615 1.00 23.31 C ATOM 513 C VAL A 35 32.537 -16.361 12.168 1.00 10.30 C ATOM 514 O VAL A 35 32.605 -16.614 13.370 1.00 30.43 O ATOM 515 CB VAL A 35 31.892 -14.129 11.257 1.00 45.44 C ATOM 516 CG1 VAL A 35 31.084 -13.789 12.500 1.00 62.24 C ATOM 517 CG2 VAL A 35 32.388 -12.864 10.571 1.00 73.21 C ATOM 0 H VAL A 35 33.689 -14.736 9.634 1.00 11.33 H new ATOM 0 HA VAL A 35 33.686 -14.558 12.375 1.00 23.31 H new ATOM 0 HB VAL A 35 31.240 -14.660 10.564 1.00 45.44 H new ATOM 0 HG11 VAL A 35 30.252 -13.140 12.227 1.00 62.24 H new ATOM 0 HG12 VAL A 35 30.698 -14.706 12.945 1.00 62.24 H new ATOM 0 HG13 VAL A 35 31.722 -13.277 13.220 1.00 62.24 H new ATOM 0 HG21 VAL A 35 31.539 -12.227 10.325 1.00 73.21 H new ATOM 0 HG22 VAL A 35 33.062 -12.328 11.239 1.00 73.21 H new ATOM 0 HG23 VAL A 35 32.919 -13.130 9.657 1.00 73.21 H new ATOM 527 N MET A 36 32.001 -17.194 11.282 1.00 44.33 N ATOM 528 CA MET A 36 31.452 -18.484 11.681 1.00 15.13 C ATOM 529 C MET A 36 32.462 -19.273 12.509 1.00 55.43 C ATOM 530 O MET A 36 32.092 -19.987 13.441 1.00 54.31 O ATOM 531 CB MET A 36 31.043 -19.292 10.448 1.00 32.12 C ATOM 532 CG MET A 36 30.071 -18.561 9.537 1.00 52.51 C ATOM 533 SD MET A 36 29.082 -19.684 8.531 1.00 42.10 S ATOM 534 CE MET A 36 28.186 -20.575 9.800 1.00 31.01 C ATOM 0 H MET A 36 31.935 -16.998 10.283 1.00 44.33 H new ATOM 0 HA MET A 36 30.570 -18.301 12.295 1.00 15.13 H new ATOM 0 HB2 MET A 36 31.937 -19.550 9.880 1.00 32.12 H new ATOM 0 HB3 MET A 36 30.590 -20.229 10.772 1.00 32.12 H new ATOM 0 HG2 MET A 36 29.408 -17.942 10.142 1.00 52.51 H new ATOM 0 HG3 MET A 36 30.627 -17.889 8.884 1.00 52.51 H new ATOM 0 HE1 MET A 36 28.561 -21.597 9.861 1.00 31.01 H new ATOM 0 HE2 MET A 36 28.327 -20.079 10.761 1.00 31.01 H new ATOM 0 HE3 MET A 36 27.125 -20.592 9.552 1.00 31.01 H new ATOM 544 N ARG A 37 33.737 -19.139 12.162 1.00 44.24 N ATOM 545 CA ARG A 37 34.800 -19.840 12.872 1.00 60.33 C ATOM 546 C ARG A 37 34.758 -19.524 14.364 1.00 74.12 C ATOM 547 O ARG A 37 34.748 -20.427 15.200 1.00 23.40 O ATOM 548 CB ARG A 37 36.165 -19.458 12.297 1.00 23.10 C ATOM 549 CG ARG A 37 37.296 -20.361 12.762 1.00 3.44 C ATOM 550 CD ARG A 37 38.483 -20.300 11.814 1.00 63.33 C ATOM 551 NE ARG A 37 39.277 -19.089 12.006 1.00 33.41 N ATOM 552 CZ ARG A 37 40.519 -18.946 11.558 1.00 51.20 C ATOM 553 NH1 ARG A 37 41.106 -19.932 10.895 1.00 61.42 N ATOM 554 NH2 ARG A 37 41.176 -17.813 11.773 1.00 62.34 N ATOM 0 H ARG A 37 34.060 -18.551 11.393 1.00 44.24 H new ATOM 0 HA ARG A 37 34.645 -20.911 12.741 1.00 60.33 H new ATOM 0 HB2 ARG A 37 36.112 -19.487 11.209 1.00 23.10 H new ATOM 0 HB3 ARG A 37 36.393 -18.430 12.578 1.00 23.10 H new ATOM 0 HG2 ARG A 37 37.612 -20.064 13.762 1.00 3.44 H new ATOM 0 HG3 ARG A 37 36.938 -21.388 12.832 1.00 3.44 H new ATOM 0 HD2 ARG A 37 39.114 -21.175 11.967 1.00 63.33 H new ATOM 0 HD3 ARG A 37 38.127 -20.340 10.785 1.00 63.33 H new ATOM 0 HE ARG A 37 38.854 -18.311 12.512 1.00 33.41 H new ATOM 0 HH11 ARG A 37 40.604 -20.804 10.727 1.00 61.42 H new ATOM 0 HH12 ARG A 37 42.060 -19.819 10.552 1.00 61.42 H new ATOM 0 HH21 ARG A 37 40.727 -17.052 12.282 1.00 62.34 H new ATOM 0 HH22 ARG A 37 42.130 -17.703 11.429 1.00 62.34 H new ATOM 568 N SER A 38 34.733 -18.236 14.690 1.00 54.30 N ATOM 569 CA SER A 38 34.696 -17.800 16.081 1.00 14.10 C ATOM 570 C SER A 38 33.379 -18.199 16.741 1.00 62.23 C ATOM 571 O SER A 38 33.318 -18.414 17.952 1.00 0.31 O ATOM 572 CB SER A 38 34.884 -16.284 16.168 1.00 75.12 C ATOM 573 OG SER A 38 34.390 -15.779 17.396 1.00 10.52 O ATOM 0 H SER A 38 34.738 -17.476 14.010 1.00 54.30 H new ATOM 0 HA SER A 38 35.512 -18.291 16.611 1.00 14.10 H new ATOM 0 HB2 SER A 38 35.942 -16.039 16.070 1.00 75.12 H new ATOM 0 HB3 SER A 38 34.367 -15.802 15.338 1.00 75.12 H new ATOM 0 HG SER A 38 34.971 -16.073 18.128 1.00 10.52 H new ATOM 579 N LEU A 39 32.327 -18.297 15.935 1.00 22.13 N ATOM 580 CA LEU A 39 31.010 -18.671 16.439 1.00 1.31 C ATOM 581 C LEU A 39 30.932 -20.172 16.698 1.00 11.22 C ATOM 582 O LEU A 39 30.127 -20.631 17.507 1.00 22.34 O ATOM 583 CB LEU A 39 29.925 -18.256 15.444 1.00 62.24 C ATOM 584 CG LEU A 39 29.810 -16.758 15.161 1.00 4.22 C ATOM 585 CD1 LEU A 39 28.607 -16.472 14.277 1.00 52.03 C ATOM 586 CD2 LEU A 39 29.716 -15.975 16.463 1.00 72.40 C ATOM 0 H LEU A 39 32.360 -18.123 14.931 1.00 22.13 H new ATOM 0 HA LEU A 39 30.848 -18.150 17.382 1.00 1.31 H new ATOM 0 HB2 LEU A 39 30.110 -18.770 14.501 1.00 62.24 H new ATOM 0 HB3 LEU A 39 28.964 -18.610 15.817 1.00 62.24 H new ATOM 0 HG LEU A 39 30.708 -16.438 14.632 1.00 4.22 H new ATOM 0 HD11 LEU A 39 28.542 -15.401 14.087 1.00 52.03 H new ATOM 0 HD12 LEU A 39 28.716 -17.003 13.331 1.00 52.03 H new ATOM 0 HD13 LEU A 39 27.699 -16.807 14.778 1.00 52.03 H new ATOM 0 HD21 LEU A 39 29.635 -14.911 16.242 1.00 72.40 H new ATOM 0 HD22 LEU A 39 28.836 -16.298 17.019 1.00 72.40 H new ATOM 0 HD23 LEU A 39 30.610 -16.154 17.061 1.00 72.40 H new ATOM 598 N GLY A 40 31.776 -20.932 16.006 1.00 12.53 N ATOM 599 CA GLY A 40 31.788 -22.373 16.177 1.00 15.43 C ATOM 600 C GLY A 40 31.062 -23.095 15.060 1.00 54.02 C ATOM 601 O GLY A 40 30.455 -24.143 15.281 1.00 4.23 O ATOM 0 H GLY A 40 32.451 -20.575 15.330 1.00 12.53 H new ATOM 0 HA2 GLY A 40 32.820 -22.722 16.221 1.00 15.43 H new ATOM 0 HA3 GLY A 40 31.325 -22.627 17.131 1.00 15.43 H new ATOM 605 N GLN A 41 31.122 -22.533 13.857 1.00 53.01 N ATOM 606 CA GLN A 41 30.462 -23.130 12.702 1.00 43.05 C ATOM 607 C GLN A 41 31.415 -23.214 11.514 1.00 65.01 C ATOM 608 O GLN A 41 31.713 -22.208 10.872 1.00 12.41 O ATOM 609 CB GLN A 41 29.223 -22.319 12.320 1.00 50.24 C ATOM 610 CG GLN A 41 28.179 -22.247 13.422 1.00 3.25 C ATOM 611 CD GLN A 41 27.366 -23.521 13.540 1.00 10.34 C ATOM 612 OE1 GLN A 41 27.898 -24.624 13.417 1.00 21.33 O ATOM 613 NE2 GLN A 41 26.068 -23.375 13.780 1.00 1.44 N ATOM 0 H GLN A 41 31.620 -21.666 13.657 1.00 53.01 H new ATOM 0 HA GLN A 41 30.157 -24.141 12.972 1.00 43.05 H new ATOM 0 HB2 GLN A 41 29.529 -21.307 12.054 1.00 50.24 H new ATOM 0 HB3 GLN A 41 28.771 -22.759 11.431 1.00 50.24 H new ATOM 0 HG2 GLN A 41 28.673 -22.046 14.373 1.00 3.25 H new ATOM 0 HG3 GLN A 41 27.509 -21.410 13.228 1.00 3.25 H new ATOM 0 HE21 GLN A 41 25.669 -22.441 13.875 1.00 1.44 H new ATOM 0 HE22 GLN A 41 25.470 -24.197 13.870 1.00 1.44 H new ATOM 622 N ASN A 42 31.891 -24.422 11.228 1.00 45.52 N ATOM 623 CA ASN A 42 32.812 -24.637 10.117 1.00 2.34 C ATOM 624 C ASN A 42 32.132 -25.405 8.988 1.00 4.11 C ATOM 625 O ASN A 42 32.346 -26.603 8.802 1.00 20.14 O ATOM 626 CB ASN A 42 34.050 -25.399 10.595 1.00 42.34 C ATOM 627 CG ASN A 42 35.218 -25.262 9.637 1.00 71.44 C ATOM 628 OD1 ASN A 42 35.423 -24.207 9.036 1.00 32.24 O ATOM 629 ND2 ASN A 42 35.990 -26.333 9.489 1.00 51.30 N ATOM 0 H ASN A 42 31.655 -25.266 11.750 1.00 45.52 H new ATOM 0 HA ASN A 42 33.118 -23.663 9.736 1.00 2.34 H new ATOM 0 HB2 ASN A 42 34.344 -25.030 11.577 1.00 42.34 H new ATOM 0 HB3 ASN A 42 33.801 -26.454 10.712 1.00 42.34 H new ATOM 0 HD21 ASN A 42 36.790 -26.302 8.857 1.00 51.30 H new ATOM 0 HD22 ASN A 42 35.783 -27.187 10.007 1.00 51.30 H new ATOM 636 N PRO A 43 31.294 -24.700 8.214 1.00 34.13 N ATOM 637 CA PRO A 43 30.566 -25.295 7.089 1.00 1.21 C ATOM 638 C PRO A 43 31.488 -25.657 5.929 1.00 13.04 C ATOM 639 O PRO A 43 32.651 -25.254 5.898 1.00 61.44 O ATOM 640 CB PRO A 43 29.592 -24.190 6.673 1.00 51.11 C ATOM 641 CG PRO A 43 30.239 -22.925 7.122 1.00 61.43 C ATOM 642 CD PRO A 43 30.991 -23.268 8.378 1.00 62.32 C ATOM 0 HA PRO A 43 30.078 -26.229 7.367 1.00 1.21 H new ATOM 0 HB2 PRO A 43 29.430 -24.191 5.595 1.00 51.11 H new ATOM 0 HB3 PRO A 43 28.617 -24.324 7.142 1.00 51.11 H new ATOM 0 HG2 PRO A 43 30.912 -22.538 6.357 1.00 61.43 H new ATOM 0 HG3 PRO A 43 29.495 -22.152 7.312 1.00 61.43 H new ATOM 0 HD2 PRO A 43 31.899 -22.674 8.477 1.00 62.32 H new ATOM 0 HD3 PRO A 43 30.391 -23.084 9.269 1.00 62.32 H new ATOM 650 N THR A 44 30.961 -26.420 4.976 1.00 13.44 N ATOM 651 CA THR A 44 31.736 -26.837 3.815 1.00 1.40 C ATOM 652 C THR A 44 31.668 -25.794 2.705 1.00 1.33 C ATOM 653 O THR A 44 30.739 -24.988 2.655 1.00 64.11 O ATOM 654 CB THR A 44 31.242 -28.188 3.265 1.00 13.21 C ATOM 655 OG1 THR A 44 29.869 -28.083 2.870 1.00 64.23 O ATOM 656 CG2 THR A 44 31.392 -29.284 4.309 1.00 72.43 C ATOM 0 H THR A 44 30.000 -26.762 4.986 1.00 13.44 H new ATOM 0 HA THR A 44 32.769 -26.944 4.147 1.00 1.40 H new ATOM 0 HB THR A 44 31.850 -28.448 2.399 1.00 13.21 H new ATOM 0 HG1 THR A 44 29.563 -28.945 2.520 1.00 64.23 H new ATOM 0 HG21 THR A 44 31.037 -30.229 3.898 1.00 72.43 H new ATOM 0 HG22 THR A 44 32.442 -29.381 4.587 1.00 72.43 H new ATOM 0 HG23 THR A 44 30.805 -29.029 5.191 1.00 72.43 H new ATOM 664 N GLU A 45 32.657 -25.815 1.818 1.00 65.54 N ATOM 665 CA GLU A 45 32.708 -24.870 0.708 1.00 25.33 C ATOM 666 C GLU A 45 31.396 -24.873 -0.069 1.00 55.23 C ATOM 667 O GLU A 45 30.915 -23.825 -0.500 1.00 1.10 O ATOM 668 CB GLU A 45 33.869 -25.211 -0.228 1.00 64.33 C ATOM 669 CG GLU A 45 35.238 -24.999 0.396 1.00 21.35 C ATOM 670 CD GLU A 45 35.482 -23.555 0.790 1.00 22.44 C ATOM 671 OE1 GLU A 45 35.048 -23.160 1.893 1.00 74.34 O ATOM 672 OE2 GLU A 45 36.107 -22.821 -0.003 1.00 10.12 O ATOM 0 H GLU A 45 33.434 -26.476 1.846 1.00 65.54 H new ATOM 0 HA GLU A 45 32.864 -23.873 1.120 1.00 25.33 H new ATOM 0 HB2 GLU A 45 33.779 -26.251 -0.540 1.00 64.33 H new ATOM 0 HB3 GLU A 45 33.791 -24.600 -1.127 1.00 64.33 H new ATOM 0 HG2 GLU A 45 35.334 -25.633 1.277 1.00 21.35 H new ATOM 0 HG3 GLU A 45 36.007 -25.314 -0.309 1.00 21.35 H new ATOM 679 N ALA A 46 30.821 -26.058 -0.245 1.00 61.24 N ATOM 680 CA ALA A 46 29.564 -26.198 -0.969 1.00 53.23 C ATOM 681 C ALA A 46 28.396 -25.659 -0.150 1.00 32.42 C ATOM 682 O ALA A 46 27.431 -25.130 -0.701 1.00 64.22 O ATOM 683 CB ALA A 46 29.326 -27.655 -1.337 1.00 55.12 C ATOM 0 H ALA A 46 31.206 -26.936 0.104 1.00 61.24 H new ATOM 0 HA ALA A 46 29.633 -25.611 -1.885 1.00 53.23 H new ATOM 0 HB1 ALA A 46 28.384 -27.745 -1.877 1.00 55.12 H new ATOM 0 HB2 ALA A 46 30.141 -28.009 -1.968 1.00 55.12 H new ATOM 0 HB3 ALA A 46 29.282 -28.257 -0.429 1.00 55.12 H new ATOM 689 N GLU A 47 28.490 -25.799 1.169 1.00 71.01 N ATOM 690 CA GLU A 47 27.439 -25.327 2.063 1.00 21.31 C ATOM 691 C GLU A 47 27.392 -23.802 2.090 1.00 31.34 C ATOM 692 O GLU A 47 26.329 -23.200 1.933 1.00 1.24 O ATOM 693 CB GLU A 47 27.662 -25.867 3.477 1.00 1.05 C ATOM 694 CG GLU A 47 26.458 -25.702 4.389 1.00 75.22 C ATOM 695 CD GLU A 47 26.844 -25.578 5.850 1.00 71.42 C ATOM 696 OE1 GLU A 47 27.636 -26.418 6.326 1.00 22.15 O ATOM 697 OE2 GLU A 47 26.354 -24.643 6.516 1.00 4.14 O ATOM 0 H GLU A 47 29.282 -26.235 1.641 1.00 71.01 H new ATOM 0 HA GLU A 47 26.484 -25.696 1.687 1.00 21.31 H new ATOM 0 HB2 GLU A 47 27.919 -26.925 3.417 1.00 1.05 H new ATOM 0 HB3 GLU A 47 28.516 -25.356 3.921 1.00 1.05 H new ATOM 0 HG2 GLU A 47 25.898 -24.816 4.089 1.00 75.22 H new ATOM 0 HG3 GLU A 47 25.793 -26.557 4.264 1.00 75.22 H new ATOM 704 N LEU A 48 28.550 -23.184 2.291 1.00 24.13 N ATOM 705 CA LEU A 48 28.643 -21.729 2.340 1.00 33.00 C ATOM 706 C LEU A 48 28.061 -21.104 1.076 1.00 44.20 C ATOM 707 O LEU A 48 27.336 -20.112 1.141 1.00 41.24 O ATOM 708 CB LEU A 48 30.100 -21.296 2.513 1.00 33.31 C ATOM 709 CG LEU A 48 30.702 -21.508 3.902 1.00 2.24 C ATOM 710 CD1 LEU A 48 32.221 -21.506 3.831 1.00 3.25 C ATOM 711 CD2 LEU A 48 30.210 -20.438 4.866 1.00 50.53 C ATOM 0 H LEU A 48 29.438 -23.668 2.423 1.00 24.13 H new ATOM 0 HA LEU A 48 28.064 -21.381 3.195 1.00 33.00 H new ATOM 0 HB2 LEU A 48 30.708 -21.838 1.789 1.00 33.31 H new ATOM 0 HB3 LEU A 48 30.176 -20.238 2.264 1.00 33.31 H new ATOM 0 HG LEU A 48 30.377 -22.480 4.273 1.00 2.24 H new ATOM 0 HD11 LEU A 48 32.632 -21.658 4.829 1.00 3.25 H new ATOM 0 HD12 LEU A 48 32.556 -22.309 3.174 1.00 3.25 H new ATOM 0 HD13 LEU A 48 32.566 -20.549 3.439 1.00 3.25 H new ATOM 0 HD21 LEU A 48 30.649 -20.605 5.850 1.00 50.53 H new ATOM 0 HD22 LEU A 48 30.505 -19.455 4.499 1.00 50.53 H new ATOM 0 HD23 LEU A 48 29.124 -20.487 4.940 1.00 50.53 H new ATOM 723 N GLN A 49 28.384 -21.693 -0.071 1.00 55.42 N ATOM 724 CA GLN A 49 27.892 -21.194 -1.350 1.00 14.51 C ATOM 725 C GLN A 49 26.368 -21.135 -1.361 1.00 54.43 C ATOM 726 O GLN A 49 25.775 -20.253 -1.984 1.00 64.34 O ATOM 727 CB GLN A 49 28.388 -22.081 -2.493 1.00 0.22 C ATOM 728 CG GLN A 49 28.077 -21.526 -3.873 1.00 53.33 C ATOM 729 CD GLN A 49 28.575 -20.106 -4.057 1.00 52.23 C ATOM 730 OE1 GLN A 49 29.709 -19.884 -4.483 1.00 12.32 O ATOM 731 NE2 GLN A 49 27.728 -19.135 -3.737 1.00 54.31 N ATOM 0 H GLN A 49 28.983 -22.515 -0.141 1.00 55.42 H new ATOM 0 HA GLN A 49 28.278 -20.184 -1.490 1.00 14.51 H new ATOM 0 HB2 GLN A 49 29.466 -22.213 -2.398 1.00 0.22 H new ATOM 0 HB3 GLN A 49 27.937 -23.069 -2.398 1.00 0.22 H new ATOM 0 HG2 GLN A 49 28.531 -22.167 -4.629 1.00 53.33 H new ATOM 0 HG3 GLN A 49 27.000 -21.553 -4.037 1.00 53.33 H new ATOM 0 HE21 GLN A 49 26.798 -19.364 -3.388 1.00 54.31 H new ATOM 0 HE22 GLN A 49 28.008 -18.160 -3.841 1.00 54.31 H new ATOM 740 N ASP A 50 25.739 -22.078 -0.669 1.00 70.10 N ATOM 741 CA ASP A 50 24.283 -22.133 -0.599 1.00 24.23 C ATOM 742 C ASP A 50 23.735 -20.978 0.234 1.00 64.23 C ATOM 743 O ASP A 50 22.689 -20.414 -0.084 1.00 0.54 O ATOM 744 CB ASP A 50 23.830 -23.467 -0.003 1.00 64.23 C ATOM 745 CG ASP A 50 22.367 -23.755 -0.275 1.00 31.21 C ATOM 746 OD1 ASP A 50 21.927 -23.557 -1.427 1.00 72.30 O ATOM 747 OD2 ASP A 50 21.662 -24.179 0.664 1.00 30.33 O ATOM 0 H ASP A 50 26.214 -22.815 -0.148 1.00 70.10 H new ATOM 0 HA ASP A 50 23.892 -22.045 -1.612 1.00 24.23 H new ATOM 0 HB2 ASP A 50 24.439 -24.272 -0.416 1.00 64.23 H new ATOM 0 HB3 ASP A 50 24.002 -23.458 1.073 1.00 64.23 H new ATOM 752 N MET A 51 24.449 -20.633 1.300 1.00 23.43 N ATOM 753 CA MET A 51 24.034 -19.546 2.178 1.00 0.43 C ATOM 754 C MET A 51 24.069 -18.210 1.443 1.00 42.32 C ATOM 755 O MET A 51 23.057 -17.515 1.350 1.00 12.03 O ATOM 756 CB MET A 51 24.936 -19.485 3.413 1.00 72.33 C ATOM 757 CG MET A 51 25.198 -20.845 4.041 1.00 15.50 C ATOM 758 SD MET A 51 26.054 -20.725 5.623 1.00 34.04 S ATOM 759 CE MET A 51 24.743 -20.098 6.671 1.00 50.32 C ATOM 0 H MET A 51 25.318 -21.090 1.577 1.00 23.43 H new ATOM 0 HA MET A 51 23.009 -19.740 2.495 1.00 0.43 H new ATOM 0 HB2 MET A 51 25.888 -19.032 3.136 1.00 72.33 H new ATOM 0 HB3 MET A 51 24.477 -18.833 4.156 1.00 72.33 H new ATOM 0 HG2 MET A 51 24.250 -21.364 4.183 1.00 15.50 H new ATOM 0 HG3 MET A 51 25.792 -21.449 3.355 1.00 15.50 H new ATOM 0 HE1 MET A 51 25.141 -19.326 7.330 1.00 50.32 H new ATOM 0 HE2 MET A 51 23.953 -19.674 6.051 1.00 50.32 H new ATOM 0 HE3 MET A 51 24.336 -20.912 7.271 1.00 50.32 H new ATOM 769 N ILE A 52 25.240 -17.857 0.922 1.00 14.32 N ATOM 770 CA ILE A 52 25.405 -16.605 0.195 1.00 40.53 C ATOM 771 C ILE A 52 24.445 -16.524 -0.987 1.00 34.30 C ATOM 772 O ILE A 52 23.839 -15.484 -1.238 1.00 15.54 O ATOM 773 CB ILE A 52 26.848 -16.438 -0.318 1.00 55.24 C ATOM 774 CG1 ILE A 52 27.835 -16.477 0.850 1.00 42.34 C ATOM 775 CG2 ILE A 52 26.987 -15.136 -1.094 1.00 32.41 C ATOM 776 CD1 ILE A 52 29.280 -16.335 0.424 1.00 12.43 C ATOM 0 H ILE A 52 26.088 -18.420 0.990 1.00 14.32 H new ATOM 0 HA ILE A 52 25.182 -15.801 0.897 1.00 40.53 H new ATOM 0 HB ILE A 52 27.077 -17.265 -0.990 1.00 55.24 H new ATOM 0 HG12 ILE A 52 27.590 -15.677 1.549 1.00 42.34 H new ATOM 0 HG13 ILE A 52 27.713 -17.418 1.387 1.00 42.34 H new ATOM 0 HG21 ILE A 52 28.012 -15.032 -1.450 1.00 32.41 H new ATOM 0 HG22 ILE A 52 26.306 -15.145 -1.945 1.00 32.41 H new ATOM 0 HG23 ILE A 52 26.742 -14.297 -0.443 1.00 32.41 H new ATOM 0 HD11 ILE A 52 29.924 -16.371 1.303 1.00 12.43 H new ATOM 0 HD12 ILE A 52 29.542 -17.149 -0.252 1.00 12.43 H new ATOM 0 HD13 ILE A 52 29.417 -15.382 -0.087 1.00 12.43 H new ATOM 788 N ASN A 53 24.310 -17.632 -1.709 1.00 52.12 N ATOM 789 CA ASN A 53 23.422 -17.688 -2.865 1.00 15.35 C ATOM 790 C ASN A 53 21.984 -17.373 -2.461 1.00 42.43 C ATOM 791 O ASN A 53 21.250 -16.723 -3.204 1.00 54.51 O ATOM 792 CB ASN A 53 23.488 -19.069 -3.519 1.00 43.12 C ATOM 793 CG ASN A 53 24.619 -19.178 -4.524 1.00 72.41 C ATOM 794 OD1 ASN A 53 25.214 -18.175 -4.918 1.00 32.05 O ATOM 795 ND2 ASN A 53 24.920 -20.401 -4.945 1.00 31.53 N ATOM 0 H ASN A 53 24.804 -18.503 -1.514 1.00 52.12 H new ATOM 0 HA ASN A 53 23.753 -16.937 -3.583 1.00 15.35 H new ATOM 0 HB2 ASN A 53 23.617 -19.828 -2.747 1.00 43.12 H new ATOM 0 HB3 ASN A 53 22.541 -19.278 -4.017 1.00 43.12 H new ATOM 0 HD21 ASN A 53 25.671 -20.537 -5.622 1.00 31.53 H new ATOM 0 HD22 ASN A 53 24.400 -21.204 -4.592 1.00 31.53 H new ATOM 802 N GLU A 54 21.591 -17.838 -1.280 1.00 22.03 N ATOM 803 CA GLU A 54 20.242 -17.606 -0.778 1.00 51.42 C ATOM 804 C GLU A 54 20.008 -16.121 -0.513 1.00 61.02 C ATOM 805 O GLU A 54 18.884 -15.629 -0.619 1.00 65.33 O ATOM 806 CB GLU A 54 20.005 -18.407 0.503 1.00 30.14 C ATOM 807 CG GLU A 54 19.231 -19.696 0.281 1.00 4.11 C ATOM 808 CD GLU A 54 19.926 -20.634 -0.687 1.00 50.53 C ATOM 809 OE1 GLU A 54 20.031 -20.283 -1.881 1.00 62.11 O ATOM 810 OE2 GLU A 54 20.365 -21.718 -0.250 1.00 73.23 O ATOM 0 H GLU A 54 22.187 -18.378 -0.653 1.00 22.03 H new ATOM 0 HA GLU A 54 19.537 -17.937 -1.540 1.00 51.42 H new ATOM 0 HB2 GLU A 54 20.967 -18.645 0.956 1.00 30.14 H new ATOM 0 HB3 GLU A 54 19.462 -17.785 1.215 1.00 30.14 H new ATOM 0 HG2 GLU A 54 19.094 -20.202 1.237 1.00 4.11 H new ATOM 0 HG3 GLU A 54 18.238 -19.458 -0.099 1.00 4.11 H new ATOM 817 N VAL A 55 21.078 -15.412 -0.167 1.00 60.12 N ATOM 818 CA VAL A 55 20.991 -13.984 0.113 1.00 51.11 C ATOM 819 C VAL A 55 21.524 -13.161 -1.055 1.00 75.40 C ATOM 820 O VAL A 55 21.646 -11.940 -0.963 1.00 11.23 O ATOM 821 CB VAL A 55 21.773 -13.613 1.387 1.00 42.13 C ATOM 822 CG1 VAL A 55 21.065 -14.146 2.623 1.00 53.42 C ATOM 823 CG2 VAL A 55 23.198 -14.141 1.309 1.00 34.14 C ATOM 0 H VAL A 55 22.015 -15.804 -0.074 1.00 60.12 H new ATOM 0 HA VAL A 55 19.936 -13.755 0.264 1.00 51.11 H new ATOM 0 HB VAL A 55 21.816 -12.526 1.463 1.00 42.13 H new ATOM 0 HG11 VAL A 55 21.632 -13.874 3.513 1.00 53.42 H new ATOM 0 HG12 VAL A 55 20.066 -13.715 2.684 1.00 53.42 H new ATOM 0 HG13 VAL A 55 20.989 -15.231 2.559 1.00 53.42 H new ATOM 0 HG21 VAL A 55 23.737 -13.870 2.217 1.00 34.14 H new ATOM 0 HG22 VAL A 55 23.179 -15.226 1.208 1.00 34.14 H new ATOM 0 HG23 VAL A 55 23.701 -13.705 0.445 1.00 34.14 H new ATOM 833 N ASP A 56 21.838 -13.839 -2.153 1.00 44.14 N ATOM 834 CA ASP A 56 22.357 -13.171 -3.342 1.00 11.14 C ATOM 835 C ASP A 56 21.221 -12.755 -4.271 1.00 34.14 C ATOM 836 O ASP A 56 20.733 -13.556 -5.067 1.00 74.04 O ATOM 837 CB ASP A 56 23.330 -14.088 -4.084 1.00 41.53 C ATOM 838 CG ASP A 56 24.247 -13.323 -5.019 1.00 54.02 C ATOM 839 OD1 ASP A 56 24.144 -12.079 -5.065 1.00 71.03 O ATOM 840 OD2 ASP A 56 25.067 -13.968 -5.704 1.00 61.41 O ATOM 0 H ASP A 56 21.743 -14.850 -2.245 1.00 44.14 H new ATOM 0 HA ASP A 56 22.888 -12.274 -3.023 1.00 11.14 H new ATOM 0 HB2 ASP A 56 23.931 -14.638 -3.360 1.00 41.53 H new ATOM 0 HB3 ASP A 56 22.766 -14.825 -4.655 1.00 41.53 H new ATOM 845 N ALA A 57 20.804 -11.498 -4.161 1.00 54.04 N ATOM 846 CA ALA A 57 19.726 -10.976 -4.992 1.00 53.21 C ATOM 847 C ALA A 57 20.265 -10.419 -6.305 1.00 70.03 C ATOM 848 O ALA A 57 19.681 -10.634 -7.368 1.00 5.02 O ATOM 849 CB ALA A 57 18.952 -9.903 -4.240 1.00 21.01 C ATOM 0 H ALA A 57 21.196 -10.823 -3.505 1.00 54.04 H new ATOM 0 HA ALA A 57 19.051 -11.799 -5.227 1.00 53.21 H new ATOM 0 HB1 ALA A 57 18.150 -9.522 -4.872 1.00 21.01 H new ATOM 0 HB2 ALA A 57 18.526 -10.330 -3.332 1.00 21.01 H new ATOM 0 HB3 ALA A 57 19.625 -9.087 -3.976 1.00 21.01 H new ATOM 855 N ASP A 58 21.381 -9.703 -6.225 1.00 12.32 N ATOM 856 CA ASP A 58 21.999 -9.115 -7.408 1.00 22.24 C ATOM 857 C ASP A 58 22.909 -10.123 -8.103 1.00 34.40 C ATOM 858 O ASP A 58 23.524 -9.819 -9.124 1.00 0.22 O ATOM 859 CB ASP A 58 22.798 -7.868 -7.026 1.00 12.14 C ATOM 860 CG ASP A 58 24.144 -8.207 -6.417 1.00 2.43 C ATOM 861 OD1 ASP A 58 24.261 -9.285 -5.797 1.00 43.30 O ATOM 862 OD2 ASP A 58 25.081 -7.394 -6.561 1.00 2.03 O ATOM 0 H ASP A 58 21.876 -9.516 -5.353 1.00 12.32 H new ATOM 0 HA ASP A 58 21.205 -8.831 -8.099 1.00 22.24 H new ATOM 0 HB2 ASP A 58 22.948 -7.251 -7.912 1.00 12.14 H new ATOM 0 HB3 ASP A 58 22.221 -7.273 -6.317 1.00 12.14 H new ATOM 867 N GLY A 59 22.989 -11.326 -7.542 1.00 21.14 N ATOM 868 CA GLY A 59 23.827 -12.360 -8.120 1.00 74.34 C ATOM 869 C GLY A 59 25.264 -11.912 -8.295 1.00 21.20 C ATOM 870 O GLY A 59 25.795 -11.925 -9.405 1.00 15.22 O ATOM 0 H GLY A 59 22.488 -11.603 -6.698 1.00 21.14 H new ATOM 0 HA2 GLY A 59 23.800 -13.243 -7.482 1.00 74.34 H new ATOM 0 HA3 GLY A 59 23.421 -12.653 -9.088 1.00 74.34 H new ATOM 874 N ASN A 60 25.896 -11.513 -7.196 1.00 34.34 N ATOM 875 CA ASN A 60 27.280 -11.057 -7.233 1.00 2.33 C ATOM 876 C ASN A 60 28.187 -12.005 -6.454 1.00 72.44 C ATOM 877 O ASN A 60 29.408 -11.970 -6.597 1.00 3.02 O ATOM 878 CB ASN A 60 27.388 -9.643 -6.657 1.00 64.13 C ATOM 879 CG ASN A 60 26.983 -9.581 -5.197 1.00 41.53 C ATOM 880 OD1 ASN A 60 26.453 -10.546 -4.647 1.00 5.13 O ATOM 881 ND2 ASN A 60 27.231 -8.440 -4.563 1.00 72.40 N ATOM 0 H ASN A 60 25.471 -11.496 -6.269 1.00 34.34 H new ATOM 0 HA ASN A 60 27.604 -11.045 -8.274 1.00 2.33 H new ATOM 0 HB2 ASN A 60 28.413 -9.288 -6.762 1.00 64.13 H new ATOM 0 HB3 ASN A 60 26.756 -8.969 -7.235 1.00 64.13 H new ATOM 0 HD21 ASN A 60 26.980 -8.338 -3.580 1.00 72.40 H new ATOM 0 HD22 ASN A 60 27.672 -7.666 -5.060 1.00 72.40 H new ATOM 888 N GLY A 61 27.579 -12.854 -5.631 1.00 31.11 N ATOM 889 CA GLY A 61 28.346 -13.801 -4.843 1.00 10.34 C ATOM 890 C GLY A 61 28.744 -13.241 -3.491 1.00 62.42 C ATOM 891 O GLY A 61 29.640 -13.769 -2.831 1.00 63.13 O ATOM 0 H GLY A 61 26.569 -12.903 -5.496 1.00 31.11 H new ATOM 0 HA2 GLY A 61 27.760 -14.708 -4.699 1.00 10.34 H new ATOM 0 HA3 GLY A 61 29.243 -14.085 -5.394 1.00 10.34 H new ATOM 895 N THR A 62 28.078 -12.168 -3.077 1.00 43.20 N ATOM 896 CA THR A 62 28.369 -11.534 -1.797 1.00 65.52 C ATOM 897 C THR A 62 27.132 -10.848 -1.229 1.00 64.32 C ATOM 898 O THR A 62 26.166 -10.596 -1.949 1.00 73.10 O ATOM 899 CB THR A 62 29.503 -10.499 -1.928 1.00 34.25 C ATOM 900 OG1 THR A 62 29.174 -9.538 -2.937 1.00 1.02 O ATOM 901 CG2 THR A 62 30.819 -11.178 -2.276 1.00 34.22 C ATOM 0 H THR A 62 27.333 -11.719 -3.610 1.00 43.20 H new ATOM 0 HA THR A 62 28.686 -12.325 -1.117 1.00 65.52 H new ATOM 0 HB THR A 62 29.617 -9.994 -0.969 1.00 34.25 H new ATOM 0 HG1 THR A 62 29.899 -8.883 -3.013 1.00 1.02 H new ATOM 0 HG21 THR A 62 31.604 -10.427 -2.363 1.00 34.22 H new ATOM 0 HG22 THR A 62 31.081 -11.887 -1.491 1.00 34.22 H new ATOM 0 HG23 THR A 62 30.716 -11.707 -3.224 1.00 34.22 H new ATOM 909 N ILE A 63 27.170 -10.548 0.065 1.00 74.14 N ATOM 910 CA ILE A 63 26.051 -9.889 0.728 1.00 64.12 C ATOM 911 C ILE A 63 26.275 -8.383 0.818 1.00 65.51 C ATOM 912 O ILE A 63 27.216 -7.923 1.466 1.00 71.24 O ATOM 913 CB ILE A 63 25.828 -10.449 2.145 1.00 60.20 C ATOM 914 CG1 ILE A 63 25.844 -11.979 2.121 1.00 72.03 C ATOM 915 CG2 ILE A 63 24.514 -9.937 2.716 1.00 4.31 C ATOM 916 CD1 ILE A 63 25.649 -12.607 3.483 1.00 73.01 C ATOM 0 H ILE A 63 27.962 -10.750 0.675 1.00 74.14 H new ATOM 0 HA ILE A 63 25.165 -10.087 0.124 1.00 64.12 H new ATOM 0 HB ILE A 63 26.639 -10.106 2.787 1.00 60.20 H new ATOM 0 HG12 ILE A 63 25.060 -12.332 1.452 1.00 72.03 H new ATOM 0 HG13 ILE A 63 26.793 -12.318 1.706 1.00 72.03 H new ATOM 0 HG21 ILE A 63 24.370 -10.342 3.718 1.00 4.31 H new ATOM 0 HG22 ILE A 63 24.538 -8.848 2.764 1.00 4.31 H new ATOM 0 HG23 ILE A 63 23.691 -10.254 2.075 1.00 4.31 H new ATOM 0 HD11 ILE A 63 25.672 -13.693 3.390 1.00 73.01 H new ATOM 0 HD12 ILE A 63 26.448 -12.284 4.151 1.00 73.01 H new ATOM 0 HD13 ILE A 63 24.687 -12.298 3.892 1.00 73.01 H new ATOM 928 N ASP A 64 25.405 -7.621 0.166 1.00 73.34 N ATOM 929 CA ASP A 64 25.505 -6.167 0.174 1.00 2.52 C ATOM 930 C ASP A 64 24.905 -5.588 1.452 1.00 40.13 C ATOM 931 O ASP A 64 24.539 -6.325 2.367 1.00 22.14 O ATOM 932 CB ASP A 64 24.799 -5.578 -1.048 1.00 74.00 C ATOM 933 CG ASP A 64 25.515 -4.362 -1.601 1.00 64.25 C ATOM 934 OD1 ASP A 64 26.763 -4.382 -1.655 1.00 2.33 O ATOM 935 OD2 ASP A 64 24.829 -3.391 -1.982 1.00 73.43 O ATOM 0 H ASP A 64 24.622 -7.987 -0.375 1.00 73.34 H new ATOM 0 HA ASP A 64 26.561 -5.900 0.136 1.00 2.52 H new ATOM 0 HB2 ASP A 64 24.729 -6.339 -1.825 1.00 74.00 H new ATOM 0 HB3 ASP A 64 23.779 -5.304 -0.778 1.00 74.00 H new ATOM 940 N PHE A 65 24.808 -4.264 1.507 1.00 51.32 N ATOM 941 CA PHE A 65 24.254 -3.586 2.673 1.00 2.40 C ATOM 942 C PHE A 65 22.779 -3.931 2.854 1.00 61.51 C ATOM 943 O PHE A 65 22.360 -4.453 3.887 1.00 13.35 O ATOM 944 CB PHE A 65 24.421 -2.071 2.536 1.00 44.12 C ATOM 945 CG PHE A 65 23.409 -1.283 3.317 1.00 2.21 C ATOM 946 CD1 PHE A 65 23.247 -1.494 4.677 1.00 50.31 C ATOM 947 CD2 PHE A 65 22.620 -0.331 2.692 1.00 74.54 C ATOM 948 CE1 PHE A 65 22.317 -0.770 5.399 1.00 73.01 C ATOM 949 CE2 PHE A 65 21.688 0.396 3.408 1.00 21.55 C ATOM 950 CZ PHE A 65 21.536 0.175 4.763 1.00 15.15 C ATOM 0 H PHE A 65 25.106 -3.639 0.758 1.00 51.32 H new ATOM 0 HA PHE A 65 24.800 -3.927 3.553 1.00 2.40 H new ATOM 0 HB2 PHE A 65 25.421 -1.792 2.868 1.00 44.12 H new ATOM 0 HB3 PHE A 65 24.347 -1.799 1.483 1.00 44.12 H new ATOM 0 HD1 PHE A 65 23.854 -2.233 5.179 1.00 50.31 H new ATOM 0 HD2 PHE A 65 22.735 -0.155 1.633 1.00 74.54 H new ATOM 0 HE1 PHE A 65 22.201 -0.943 6.459 1.00 73.01 H new ATOM 0 HE2 PHE A 65 21.080 1.136 2.909 1.00 21.55 H new ATOM 0 HZ PHE A 65 20.807 0.741 5.325 1.00 15.15 H new ATOM 960 N PRO A 66 21.972 -3.634 1.825 1.00 72.32 N ATOM 961 CA PRO A 66 20.531 -3.905 1.845 1.00 2.21 C ATOM 962 C PRO A 66 20.220 -5.396 1.785 1.00 25.54 C ATOM 963 O PRO A 66 19.197 -5.847 2.298 1.00 55.21 O ATOM 964 CB PRO A 66 20.020 -3.201 0.585 1.00 24.32 C ATOM 965 CG PRO A 66 21.198 -3.154 -0.326 1.00 61.11 C ATOM 966 CD PRO A 66 22.403 -3.012 0.562 1.00 63.01 C ATOM 0 HA PRO A 66 20.064 -3.555 2.765 1.00 2.21 H new ATOM 0 HB2 PRO A 66 19.192 -3.748 0.134 1.00 24.32 H new ATOM 0 HB3 PRO A 66 19.654 -2.199 0.812 1.00 24.32 H new ATOM 0 HG2 PRO A 66 21.262 -4.060 -0.928 1.00 61.11 H new ATOM 0 HG3 PRO A 66 21.123 -2.316 -1.018 1.00 61.11 H new ATOM 0 HD2 PRO A 66 23.273 -3.517 0.142 1.00 63.01 H new ATOM 0 HD3 PRO A 66 22.678 -1.967 0.702 1.00 63.01 H new ATOM 974 N GLU A 67 21.111 -6.157 1.157 1.00 63.21 N ATOM 975 CA GLU A 67 20.930 -7.599 1.031 1.00 43.42 C ATOM 976 C GLU A 67 20.809 -8.254 2.404 1.00 55.24 C ATOM 977 O GLU A 67 19.936 -9.093 2.628 1.00 13.43 O ATOM 978 CB GLU A 67 22.099 -8.216 0.261 1.00 63.34 C ATOM 979 CG GLU A 67 22.089 -7.892 -1.224 1.00 22.31 C ATOM 980 CD GLU A 67 22.730 -8.981 -2.063 1.00 53.20 C ATOM 981 OE1 GLU A 67 23.571 -9.729 -1.522 1.00 12.34 O ATOM 982 OE2 GLU A 67 22.391 -9.085 -3.260 1.00 54.32 O ATOM 0 H GLU A 67 21.965 -5.800 0.728 1.00 63.21 H new ATOM 0 HA GLU A 67 20.007 -7.777 0.480 1.00 43.42 H new ATOM 0 HB2 GLU A 67 23.035 -7.864 0.695 1.00 63.34 H new ATOM 0 HB3 GLU A 67 22.076 -9.298 0.388 1.00 63.34 H new ATOM 0 HG2 GLU A 67 21.060 -7.743 -1.553 1.00 22.31 H new ATOM 0 HG3 GLU A 67 22.616 -6.952 -1.391 1.00 22.31 H new ATOM 989 N PHE A 68 21.691 -7.865 3.318 1.00 34.24 N ATOM 990 CA PHE A 68 21.684 -8.415 4.669 1.00 32.10 C ATOM 991 C PHE A 68 20.484 -7.902 5.459 1.00 15.12 C ATOM 992 O PHE A 68 19.897 -8.629 6.262 1.00 72.44 O ATOM 993 CB PHE A 68 22.980 -8.053 5.396 1.00 2.25 C ATOM 994 CG PHE A 68 23.245 -8.900 6.608 1.00 72.41 C ATOM 995 CD1 PHE A 68 22.551 -8.682 7.787 1.00 21.43 C ATOM 996 CD2 PHE A 68 24.188 -9.915 6.567 1.00 12.24 C ATOM 997 CE1 PHE A 68 22.792 -9.461 8.904 1.00 51.22 C ATOM 998 CE2 PHE A 68 24.432 -10.697 7.680 1.00 5.35 C ATOM 999 CZ PHE A 68 23.735 -10.469 8.850 1.00 14.45 C ATOM 0 H PHE A 68 22.419 -7.171 3.148 1.00 34.24 H new ATOM 0 HA PHE A 68 21.609 -9.500 4.592 1.00 32.10 H new ATOM 0 HB2 PHE A 68 23.816 -8.153 4.703 1.00 2.25 H new ATOM 0 HB3 PHE A 68 22.938 -7.006 5.696 1.00 2.25 H new ATOM 0 HD1 PHE A 68 21.813 -7.895 7.834 1.00 21.43 H new ATOM 0 HD2 PHE A 68 24.738 -10.097 5.655 1.00 12.24 H new ATOM 0 HE1 PHE A 68 22.244 -9.282 9.817 1.00 51.22 H new ATOM 0 HE2 PHE A 68 25.168 -11.486 7.635 1.00 5.35 H new ATOM 0 HZ PHE A 68 23.927 -11.078 9.721 1.00 14.45 H new ATOM 1009 N LEU A 69 20.124 -6.644 5.227 1.00 60.41 N ATOM 1010 CA LEU A 69 18.994 -6.032 5.917 1.00 51.13 C ATOM 1011 C LEU A 69 17.689 -6.731 5.551 1.00 74.04 C ATOM 1012 O LEU A 69 16.940 -7.170 6.424 1.00 30.22 O ATOM 1013 CB LEU A 69 18.904 -4.545 5.569 1.00 1.13 C ATOM 1014 CG LEU A 69 17.615 -3.835 5.984 1.00 34.30 C ATOM 1015 CD1 LEU A 69 17.325 -4.073 7.458 1.00 41.30 C ATOM 1016 CD2 LEU A 69 17.708 -2.345 5.690 1.00 34.21 C ATOM 0 H LEU A 69 20.598 -6.028 4.566 1.00 60.41 H new ATOM 0 HA LEU A 69 19.154 -6.139 6.990 1.00 51.13 H new ATOM 0 HB2 LEU A 69 19.744 -4.032 6.036 1.00 1.13 H new ATOM 0 HB3 LEU A 69 19.024 -4.437 4.491 1.00 1.13 H new ATOM 0 HG LEU A 69 16.792 -4.249 5.402 1.00 34.30 H new ATOM 0 HD11 LEU A 69 16.404 -3.560 7.735 1.00 41.30 H new ATOM 0 HD12 LEU A 69 17.213 -5.142 7.639 1.00 41.30 H new ATOM 0 HD13 LEU A 69 18.149 -3.688 8.058 1.00 41.30 H new ATOM 0 HD21 LEU A 69 16.782 -1.856 5.992 1.00 34.21 H new ATOM 0 HD22 LEU A 69 18.542 -1.916 6.245 1.00 34.21 H new ATOM 0 HD23 LEU A 69 17.867 -2.194 4.622 1.00 34.21 H new ATOM 1028 N THR A 70 17.422 -6.833 4.252 1.00 31.21 N ATOM 1029 CA THR A 70 16.208 -7.480 3.770 1.00 41.22 C ATOM 1030 C THR A 70 16.158 -8.943 4.196 1.00 51.44 C ATOM 1031 O THR A 70 15.081 -9.507 4.384 1.00 72.33 O ATOM 1032 CB THR A 70 16.101 -7.400 2.235 1.00 14.43 C ATOM 1033 OG1 THR A 70 14.813 -7.858 1.810 1.00 75.22 O ATOM 1034 CG2 THR A 70 17.186 -8.234 1.572 1.00 21.35 C ATOM 0 H THR A 70 18.030 -6.476 3.515 1.00 31.21 H new ATOM 0 HA THR A 70 15.368 -6.947 4.214 1.00 41.22 H new ATOM 0 HB THR A 70 16.233 -6.360 1.937 1.00 14.43 H new ATOM 0 HG1 THR A 70 14.752 -7.803 0.833 1.00 75.22 H new ATOM 0 HG21 THR A 70 17.090 -8.162 0.489 1.00 21.35 H new ATOM 0 HG22 THR A 70 18.165 -7.864 1.875 1.00 21.35 H new ATOM 0 HG23 THR A 70 17.082 -9.275 1.877 1.00 21.35 H new ATOM 1042 N MET A 71 17.330 -9.551 4.347 1.00 40.44 N ATOM 1043 CA MET A 71 17.419 -10.948 4.753 1.00 74.53 C ATOM 1044 C MET A 71 16.841 -11.146 6.151 1.00 70.25 C ATOM 1045 O MET A 71 16.103 -12.099 6.398 1.00 72.32 O ATOM 1046 CB MET A 71 18.873 -11.421 4.718 1.00 44.42 C ATOM 1047 CG MET A 71 19.085 -12.784 5.355 1.00 22.24 C ATOM 1048 SD MET A 71 19.915 -12.683 6.953 1.00 11.50 S ATOM 1049 CE MET A 71 21.531 -12.088 6.458 1.00 35.43 C ATOM 0 H MET A 71 18.231 -9.098 4.194 1.00 40.44 H new ATOM 0 HA MET A 71 16.835 -11.542 4.050 1.00 74.53 H new ATOM 0 HB2 MET A 71 19.210 -11.457 3.682 1.00 44.42 H new ATOM 0 HB3 MET A 71 19.497 -10.689 5.230 1.00 44.42 H new ATOM 0 HG2 MET A 71 18.120 -13.276 5.482 1.00 22.24 H new ATOM 0 HG3 MET A 71 19.675 -13.407 4.683 1.00 22.24 H new ATOM 0 HE1 MET A 71 22.271 -12.383 7.202 1.00 35.43 H new ATOM 0 HE2 MET A 71 21.796 -12.517 5.492 1.00 35.43 H new ATOM 0 HE3 MET A 71 21.510 -11.001 6.379 1.00 35.43 H new ATOM 1059 N MET A 72 17.182 -10.240 7.061 1.00 43.03 N ATOM 1060 CA MET A 72 16.696 -10.316 8.434 1.00 42.55 C ATOM 1061 C MET A 72 15.269 -9.788 8.535 1.00 53.54 C ATOM 1062 O MET A 72 14.493 -10.227 9.383 1.00 61.21 O ATOM 1063 CB MET A 72 17.613 -9.522 9.366 1.00 2.03 C ATOM 1064 CG MET A 72 18.848 -10.293 9.805 1.00 50.53 C ATOM 1065 SD MET A 72 19.289 -9.977 11.524 1.00 3.02 S ATOM 1066 CE MET A 72 19.142 -11.621 12.219 1.00 73.31 C ATOM 0 H MET A 72 17.793 -9.445 6.873 1.00 43.03 H new ATOM 0 HA MET A 72 16.700 -11.363 8.737 1.00 42.55 H new ATOM 0 HB2 MET A 72 17.926 -8.607 8.862 1.00 2.03 H new ATOM 0 HB3 MET A 72 17.049 -9.222 10.249 1.00 2.03 H new ATOM 0 HG2 MET A 72 18.673 -11.360 9.669 1.00 50.53 H new ATOM 0 HG3 MET A 72 19.687 -10.024 9.163 1.00 50.53 H new ATOM 0 HE1 MET A 72 19.661 -11.659 13.177 1.00 73.31 H new ATOM 0 HE2 MET A 72 18.089 -11.861 12.367 1.00 73.31 H new ATOM 0 HE3 MET A 72 19.586 -12.346 11.537 1.00 73.31 H new ATOM 1076 N ALA A 73 14.929 -8.842 7.664 1.00 21.33 N ATOM 1077 CA ALA A 73 13.595 -8.256 7.655 1.00 34.21 C ATOM 1078 C ALA A 73 12.577 -9.218 7.051 1.00 52.43 C ATOM 1079 O ALA A 73 11.395 -9.181 7.393 1.00 11.01 O ATOM 1080 CB ALA A 73 13.601 -6.941 6.890 1.00 71.35 C ATOM 0 H ALA A 73 15.560 -8.466 6.956 1.00 21.33 H new ATOM 0 HA ALA A 73 13.304 -8.061 8.687 1.00 34.21 H new ATOM 0 HB1 ALA A 73 12.598 -6.515 6.891 1.00 71.35 H new ATOM 0 HB2 ALA A 73 14.292 -6.246 7.367 1.00 71.35 H new ATOM 0 HB3 ALA A 73 13.918 -7.119 5.862 1.00 71.35 H new ATOM 1265 N ILE A 85 9.619 -29.661 7.506 1.00 11.15 N ATOM 1266 CA ILE A 85 10.086 -30.979 7.097 1.00 25.31 C ATOM 1267 C ILE A 85 11.527 -31.214 7.540 1.00 52.32 C ATOM 1268 O ILE A 85 11.899 -32.326 7.914 1.00 15.04 O ATOM 1269 CB ILE A 85 9.995 -31.160 5.570 1.00 34.34 C ATOM 1270 CG1 ILE A 85 8.552 -30.971 5.098 1.00 14.24 C ATOM 1271 CG2 ILE A 85 10.514 -32.532 5.168 1.00 74.55 C ATOM 1272 CD1 ILE A 85 8.434 -30.661 3.622 1.00 4.14 C ATOM 0 HA ILE A 85 9.436 -31.708 7.581 1.00 25.31 H new ATOM 0 HB ILE A 85 10.616 -30.403 5.091 1.00 34.34 H new ATOM 0 HG12 ILE A 85 7.985 -31.876 5.317 1.00 14.24 H new ATOM 0 HG13 ILE A 85 8.095 -30.162 5.668 1.00 14.24 H new ATOM 0 HG21 ILE A 85 10.443 -32.645 4.086 1.00 74.55 H new ATOM 0 HG22 ILE A 85 11.555 -32.632 5.476 1.00 74.55 H new ATOM 0 HG23 ILE A 85 9.916 -33.304 5.653 1.00 74.55 H new ATOM 0 HD11 ILE A 85 7.383 -30.540 3.359 1.00 4.14 H new ATOM 0 HD12 ILE A 85 8.972 -29.740 3.400 1.00 4.14 H new ATOM 0 HD13 ILE A 85 8.861 -31.480 3.043 1.00 4.14 H new ATOM 1284 N ARG A 86 12.333 -30.158 7.496 1.00 52.03 N ATOM 1285 CA ARG A 86 13.733 -30.248 7.893 1.00 74.41 C ATOM 1286 C ARG A 86 13.859 -30.426 9.403 1.00 31.31 C ATOM 1287 O ARG A 86 14.510 -31.358 9.875 1.00 0.52 O ATOM 1288 CB ARG A 86 14.492 -28.996 7.451 1.00 62.32 C ATOM 1289 CG ARG A 86 15.995 -29.090 7.659 1.00 31.12 C ATOM 1290 CD ARG A 86 16.690 -29.685 6.444 1.00 34.45 C ATOM 1291 NE ARG A 86 16.728 -31.144 6.496 1.00 31.41 N ATOM 1292 CZ ARG A 86 17.503 -31.830 7.329 1.00 63.24 C ATOM 1293 NH1 ARG A 86 18.300 -31.192 8.175 1.00 61.51 N ATOM 1294 NH2 ARG A 86 17.482 -33.157 7.316 1.00 41.11 N ATOM 0 H ARG A 86 12.040 -29.230 7.189 1.00 52.03 H new ATOM 0 HA ARG A 86 14.168 -31.120 7.404 1.00 74.41 H new ATOM 0 HB2 ARG A 86 14.291 -28.813 6.396 1.00 62.32 H new ATOM 0 HB3 ARG A 86 14.110 -28.137 8.002 1.00 62.32 H new ATOM 0 HG2 ARG A 86 16.398 -28.098 7.860 1.00 31.12 H new ATOM 0 HG3 ARG A 86 16.204 -29.703 8.536 1.00 31.12 H new ATOM 0 HD2 ARG A 86 16.172 -29.368 5.539 1.00 34.45 H new ATOM 0 HD3 ARG A 86 17.707 -29.298 6.382 1.00 34.45 H new ATOM 0 HE ARG A 86 16.127 -31.665 5.858 1.00 31.41 H new ATOM 0 HH11 ARG A 86 18.319 -30.172 8.187 1.00 61.51 H new ATOM 0 HH12 ARG A 86 18.894 -31.721 8.814 1.00 61.51 H new ATOM 0 HH21 ARG A 86 16.871 -33.651 6.666 1.00 41.11 H new ATOM 0 HH22 ARG A 86 18.077 -33.683 7.956 1.00 41.11 H new ATOM 1308 N GLU A 87 13.232 -29.526 10.154 1.00 31.34 N ATOM 1309 CA GLU A 87 13.276 -29.584 11.611 1.00 50.03 C ATOM 1310 C GLU A 87 12.678 -30.892 12.122 1.00 52.52 C ATOM 1311 O GLU A 87 13.188 -31.492 13.067 1.00 60.21 O ATOM 1312 CB GLU A 87 12.523 -28.396 12.213 1.00 20.03 C ATOM 1313 CG GLU A 87 11.060 -28.333 11.807 1.00 44.13 C ATOM 1314 CD GLU A 87 10.153 -29.065 12.777 1.00 41.54 C ATOM 1315 OE1 GLU A 87 10.678 -29.690 13.722 1.00 14.31 O ATOM 1316 OE2 GLU A 87 8.919 -29.012 12.591 1.00 65.45 O ATOM 0 H GLU A 87 12.688 -28.749 9.779 1.00 31.34 H new ATOM 0 HA GLU A 87 14.320 -29.537 11.920 1.00 50.03 H new ATOM 0 HB2 GLU A 87 12.588 -28.449 13.300 1.00 20.03 H new ATOM 0 HB3 GLU A 87 13.016 -27.473 11.909 1.00 20.03 H new ATOM 0 HG2 GLU A 87 10.750 -27.290 11.742 1.00 44.13 H new ATOM 0 HG3 GLU A 87 10.944 -28.763 10.812 1.00 44.13 H new ATOM 1323 N ALA A 88 11.592 -31.326 11.490 1.00 42.41 N ATOM 1324 CA ALA A 88 10.925 -32.562 11.879 1.00 51.23 C ATOM 1325 C ALA A 88 11.868 -33.754 11.763 1.00 21.51 C ATOM 1326 O ALA A 88 11.979 -34.563 12.685 1.00 12.22 O ATOM 1327 CB ALA A 88 9.684 -32.783 11.026 1.00 45.22 C ATOM 0 H ALA A 88 11.156 -30.840 10.707 1.00 42.41 H new ATOM 0 HA ALA A 88 10.624 -32.471 12.923 1.00 51.23 H new ATOM 0 HB1 ALA A 88 9.196 -33.710 11.327 1.00 45.22 H new ATOM 0 HB2 ALA A 88 8.995 -31.949 11.162 1.00 45.22 H new ATOM 0 HB3 ALA A 88 9.971 -32.849 9.976 1.00 45.22 H new ATOM 1333 N PHE A 89 12.546 -33.859 10.625 1.00 53.13 N ATOM 1334 CA PHE A 89 13.478 -34.955 10.388 1.00 4.40 C ATOM 1335 C PHE A 89 14.479 -35.074 11.534 1.00 62.14 C ATOM 1336 O PHE A 89 14.758 -36.172 12.017 1.00 52.43 O ATOM 1337 CB PHE A 89 14.221 -34.744 9.067 1.00 50.11 C ATOM 1338 CG PHE A 89 14.705 -36.021 8.441 1.00 3.42 C ATOM 1339 CD1 PHE A 89 13.872 -36.767 7.624 1.00 54.32 C ATOM 1340 CD2 PHE A 89 15.994 -36.474 8.670 1.00 22.40 C ATOM 1341 CE1 PHE A 89 14.315 -37.942 7.048 1.00 74.24 C ATOM 1342 CE2 PHE A 89 16.443 -37.649 8.096 1.00 30.11 C ATOM 1343 CZ PHE A 89 15.602 -38.383 7.283 1.00 62.30 C ATOM 0 H PHE A 89 12.467 -33.198 9.852 1.00 53.13 H new ATOM 0 HA PHE A 89 12.905 -35.881 10.331 1.00 4.40 H new ATOM 0 HB2 PHE A 89 13.561 -34.232 8.366 1.00 50.11 H new ATOM 0 HB3 PHE A 89 15.074 -34.087 9.240 1.00 50.11 H new ATOM 0 HD1 PHE A 89 12.865 -36.426 7.435 1.00 54.32 H new ATOM 0 HD2 PHE A 89 16.656 -35.903 9.304 1.00 22.40 H new ATOM 0 HE1 PHE A 89 13.655 -38.515 6.414 1.00 74.24 H new ATOM 0 HE2 PHE A 89 17.450 -37.992 8.283 1.00 30.11 H new ATOM 0 HZ PHE A 89 15.950 -39.300 6.832 1.00 62.30 H new ATOM 1353 N ARG A 90 15.017 -33.937 11.963 1.00 53.13 N ATOM 1354 CA ARG A 90 15.988 -33.913 13.050 1.00 72.21 C ATOM 1355 C ARG A 90 15.342 -34.339 14.365 1.00 32.01 C ATOM 1356 O ARG A 90 15.939 -35.073 15.153 1.00 13.43 O ATOM 1357 CB ARG A 90 16.590 -32.514 13.194 1.00 35.24 C ATOM 1358 CG ARG A 90 17.971 -32.508 13.828 1.00 43.04 C ATOM 1359 CD ARG A 90 19.065 -32.628 12.778 1.00 24.14 C ATOM 1360 NE ARG A 90 20.381 -32.294 13.318 1.00 14.14 N ATOM 1361 CZ ARG A 90 21.508 -32.397 12.624 1.00 62.51 C ATOM 1362 NH1 ARG A 90 21.481 -32.823 11.369 1.00 73.15 N ATOM 1363 NH2 ARG A 90 22.666 -32.074 13.185 1.00 64.41 N ATOM 0 H ARG A 90 14.797 -33.020 11.574 1.00 53.13 H new ATOM 0 HA ARG A 90 16.783 -34.619 12.810 1.00 72.21 H new ATOM 0 HB2 ARG A 90 16.649 -32.050 12.209 1.00 35.24 H new ATOM 0 HB3 ARG A 90 15.920 -31.900 13.796 1.00 35.24 H new ATOM 0 HG2 ARG A 90 18.109 -31.587 14.395 1.00 43.04 H new ATOM 0 HG3 ARG A 90 18.052 -33.333 14.535 1.00 43.04 H new ATOM 0 HD2 ARG A 90 19.081 -33.645 12.386 1.00 24.14 H new ATOM 0 HD3 ARG A 90 18.838 -31.968 11.941 1.00 24.14 H new ATOM 0 HE ARG A 90 20.437 -31.963 14.281 1.00 14.14 H new ATOM 0 HH11 ARG A 90 20.593 -33.073 10.934 1.00 73.15 H new ATOM 0 HH12 ARG A 90 22.348 -32.901 10.838 1.00 73.15 H new ATOM 0 HH21 ARG A 90 22.691 -31.746 14.151 1.00 64.41 H new ATOM 0 HH22 ARG A 90 23.531 -32.154 12.651 1.00 64.41 H new ATOM 1377 N VAL A 91 14.118 -33.873 14.596 1.00 63.33 N ATOM 1378 CA VAL A 91 13.391 -34.206 15.815 1.00 52.13 C ATOM 1379 C VAL A 91 13.220 -35.714 15.959 1.00 70.05 C ATOM 1380 O VAL A 91 13.227 -36.247 17.068 1.00 31.41 O ATOM 1381 CB VAL A 91 12.003 -33.538 15.840 1.00 71.42 C ATOM 1382 CG1 VAL A 91 11.248 -33.922 17.104 1.00 65.24 C ATOM 1383 CG2 VAL A 91 12.137 -32.027 15.727 1.00 31.31 C ATOM 0 H VAL A 91 13.610 -33.264 13.955 1.00 63.33 H new ATOM 0 HA VAL A 91 13.983 -33.830 16.649 1.00 52.13 H new ATOM 0 HB VAL A 91 11.432 -33.894 14.982 1.00 71.42 H new ATOM 0 HG11 VAL A 91 10.270 -33.441 17.104 1.00 65.24 H new ATOM 0 HG12 VAL A 91 11.120 -35.004 17.137 1.00 65.24 H new ATOM 0 HG13 VAL A 91 11.812 -33.597 17.978 1.00 65.24 H new ATOM 0 HG21 VAL A 91 11.147 -31.571 15.746 1.00 31.31 H new ATOM 0 HG22 VAL A 91 12.726 -31.650 16.563 1.00 31.31 H new ATOM 0 HG23 VAL A 91 12.634 -31.775 14.790 1.00 31.31 H new ATOM 1393 N PHE A 92 13.067 -36.397 14.829 1.00 61.02 N ATOM 1394 CA PHE A 92 12.894 -37.845 14.828 1.00 0.04 C ATOM 1395 C PHE A 92 14.245 -38.554 14.800 1.00 72.15 C ATOM 1396 O PHE A 92 14.423 -39.599 15.426 1.00 50.10 O ATOM 1397 CB PHE A 92 12.052 -38.279 13.627 1.00 52.21 C ATOM 1398 CG PHE A 92 10.806 -37.460 13.441 1.00 23.20 C ATOM 1399 CD1 PHE A 92 9.990 -37.161 14.520 1.00 24.23 C ATOM 1400 CD2 PHE A 92 10.452 -36.989 12.187 1.00 34.22 C ATOM 1401 CE1 PHE A 92 8.843 -36.409 14.352 1.00 44.12 C ATOM 1402 CE2 PHE A 92 9.306 -36.236 12.013 1.00 51.14 C ATOM 1403 CZ PHE A 92 8.501 -35.945 13.097 1.00 43.43 C ATOM 0 H PHE A 92 13.059 -35.971 13.902 1.00 61.02 H new ATOM 0 HA PHE A 92 12.376 -38.124 15.745 1.00 0.04 H new ATOM 0 HB2 PHE A 92 12.659 -38.212 12.724 1.00 52.21 H new ATOM 0 HB3 PHE A 92 11.774 -39.326 13.747 1.00 52.21 H new ATOM 0 HD1 PHE A 92 10.253 -37.520 15.504 1.00 24.23 H new ATOM 0 HD2 PHE A 92 11.078 -37.213 11.336 1.00 34.22 H new ATOM 0 HE1 PHE A 92 8.215 -36.184 15.201 1.00 44.12 H new ATOM 0 HE2 PHE A 92 9.040 -35.875 11.030 1.00 51.14 H new ATOM 0 HZ PHE A 92 7.606 -35.356 12.963 1.00 43.43 H new ATOM 1413 N ASP A 93 15.193 -37.979 14.068 1.00 55.13 N ATOM 1414 CA ASP A 93 16.528 -38.555 13.957 1.00 52.45 C ATOM 1415 C ASP A 93 17.205 -38.623 15.322 1.00 62.43 C ATOM 1416 O ASP A 93 17.796 -37.647 15.784 1.00 64.24 O ATOM 1417 CB ASP A 93 17.382 -37.732 12.990 1.00 20.43 C ATOM 1418 CG ASP A 93 18.468 -38.559 12.331 1.00 63.12 C ATOM 1419 OD1 ASP A 93 18.496 -39.788 12.552 1.00 2.05 O ATOM 1420 OD2 ASP A 93 19.290 -37.977 11.592 1.00 20.43 O ATOM 0 H ASP A 93 15.062 -37.115 13.543 1.00 55.13 H new ATOM 0 HA ASP A 93 16.429 -39.569 13.570 1.00 52.45 H new ATOM 0 HB2 ASP A 93 16.741 -37.300 12.221 1.00 20.43 H new ATOM 0 HB3 ASP A 93 17.838 -36.901 13.529 1.00 20.43 H new ATOM 1425 N LYS A 94 17.114 -39.783 15.964 1.00 63.13 N ATOM 1426 CA LYS A 94 17.718 -39.981 17.276 1.00 11.12 C ATOM 1427 C LYS A 94 19.219 -40.220 17.154 1.00 5.11 C ATOM 1428 O LYS A 94 20.020 -39.547 17.804 1.00 55.41 O ATOM 1429 CB LYS A 94 17.059 -41.163 17.990 1.00 20.33 C ATOM 1430 CG LYS A 94 15.602 -40.924 18.345 1.00 74.21 C ATOM 1431 CD LYS A 94 15.163 -41.788 19.515 1.00 24.34 C ATOM 1432 CE LYS A 94 14.642 -43.138 19.047 1.00 21.32 C ATOM 1433 NZ LYS A 94 15.748 -44.104 18.797 1.00 2.40 N ATOM 0 H LYS A 94 16.627 -40.601 15.596 1.00 63.13 H new ATOM 0 HA LYS A 94 17.559 -39.076 17.862 1.00 11.12 H new ATOM 0 HB2 LYS A 94 17.129 -42.046 17.354 1.00 20.33 H new ATOM 0 HB3 LYS A 94 17.615 -41.382 18.902 1.00 20.33 H new ATOM 0 HG2 LYS A 94 15.455 -39.873 18.593 1.00 74.21 H new ATOM 0 HG3 LYS A 94 14.976 -41.138 17.479 1.00 74.21 H new ATOM 0 HD2 LYS A 94 16.003 -41.936 20.194 1.00 24.34 H new ATOM 0 HD3 LYS A 94 14.385 -41.272 20.078 1.00 24.34 H new ATOM 0 HE2 LYS A 94 13.966 -43.547 19.798 1.00 21.32 H new ATOM 0 HE3 LYS A 94 14.062 -43.006 18.134 1.00 21.32 H new ATOM 0 HZ1 LYS A 94 15.376 -45.074 18.831 1.00 2.40 H new ATOM 0 HZ2 LYS A 94 16.161 -43.924 17.860 1.00 2.40 H new ATOM 0 HZ3 LYS A 94 16.481 -43.989 19.526 1.00 2.40 H new ATOM 1447 N ASP A 95 19.595 -41.181 16.317 1.00 13.30 N ATOM 1448 CA ASP A 95 21.001 -41.506 16.108 1.00 73.51 C ATOM 1449 C ASP A 95 21.678 -40.454 15.236 1.00 64.23 C ATOM 1450 O ASP A 95 22.899 -40.456 15.079 1.00 54.34 O ATOM 1451 CB ASP A 95 21.136 -42.886 15.462 1.00 70.30 C ATOM 1452 CG ASP A 95 20.337 -43.006 14.179 1.00 11.12 C ATOM 1453 OD1 ASP A 95 19.912 -41.960 13.645 1.00 41.13 O ATOM 1454 OD2 ASP A 95 20.137 -44.145 13.709 1.00 22.22 O ATOM 0 H ASP A 95 18.946 -41.748 15.772 1.00 13.30 H new ATOM 0 HA ASP A 95 21.494 -41.518 17.080 1.00 73.51 H new ATOM 0 HB2 ASP A 95 22.187 -43.084 15.252 1.00 70.30 H new ATOM 0 HB3 ASP A 95 20.803 -43.648 16.167 1.00 70.30 H new ATOM 1459 N GLY A 96 20.877 -39.557 14.669 1.00 3.23 N ATOM 1460 CA GLY A 96 21.417 -38.512 13.819 1.00 64.21 C ATOM 1461 C GLY A 96 22.142 -39.067 12.608 1.00 12.23 C ATOM 1462 O GLY A 96 23.104 -38.471 12.126 1.00 22.41 O ATOM 0 H GLY A 96 19.864 -39.535 14.783 1.00 3.23 H new ATOM 0 HA2 GLY A 96 20.607 -37.862 13.488 1.00 64.21 H new ATOM 0 HA3 GLY A 96 22.104 -37.895 14.399 1.00 64.21 H new ATOM 1466 N ASN A 97 21.679 -40.212 12.117 1.00 41.20 N ATOM 1467 CA ASN A 97 22.291 -40.848 10.956 1.00 22.33 C ATOM 1468 C ASN A 97 21.762 -40.241 9.661 1.00 71.03 C ATOM 1469 O ASN A 97 22.349 -40.419 8.594 1.00 1.43 O ATOM 1470 CB ASN A 97 22.023 -42.354 10.974 1.00 73.52 C ATOM 1471 CG ASN A 97 20.549 -42.681 10.823 1.00 44.11 C ATOM 1472 OD1 ASN A 97 19.692 -41.809 10.962 1.00 54.21 O ATOM 1473 ND2 ASN A 97 20.249 -43.943 10.537 1.00 4.51 N ATOM 0 H ASN A 97 20.883 -40.718 12.505 1.00 41.20 H new ATOM 0 HA ASN A 97 23.366 -40.676 11.003 1.00 22.33 H new ATOM 0 HB2 ASN A 97 22.582 -42.829 10.168 1.00 73.52 H new ATOM 0 HB3 ASN A 97 22.392 -42.775 11.909 1.00 73.52 H new ATOM 0 HD21 ASN A 97 19.275 -44.222 10.424 1.00 4.51 H new ATOM 0 HD22 ASN A 97 20.993 -44.633 10.431 1.00 4.51 H new ATOM 1480 N GLY A 98 20.648 -39.522 9.762 1.00 73.51 N ATOM 1481 CA GLY A 98 20.058 -38.899 8.592 1.00 71.35 C ATOM 1482 C GLY A 98 19.118 -39.830 7.851 1.00 44.14 C ATOM 1483 O GLY A 98 18.806 -39.606 6.681 1.00 44.12 O ATOM 0 H GLY A 98 20.144 -39.360 10.634 1.00 73.51 H new ATOM 0 HA2 GLY A 98 19.514 -38.005 8.896 1.00 71.35 H new ATOM 0 HA3 GLY A 98 20.851 -38.576 7.917 1.00 71.35 H new ATOM 1487 N TYR A 99 18.668 -40.878 8.531 1.00 14.44 N ATOM 1488 CA TYR A 99 17.761 -41.848 7.929 1.00 64.11 C ATOM 1489 C TYR A 99 16.653 -42.236 8.903 1.00 62.41 C ATOM 1490 O TYR A 99 16.861 -42.267 10.116 1.00 13.13 O ATOM 1491 CB TYR A 99 18.533 -43.095 7.493 1.00 34.10 C ATOM 1492 CG TYR A 99 18.961 -43.066 6.043 1.00 33.32 C ATOM 1493 CD1 TYR A 99 20.148 -42.454 5.661 1.00 55.24 C ATOM 1494 CD2 TYR A 99 18.178 -43.653 5.056 1.00 43.22 C ATOM 1495 CE1 TYR A 99 20.542 -42.425 4.337 1.00 11.40 C ATOM 1496 CE2 TYR A 99 18.566 -43.630 3.730 1.00 54.31 C ATOM 1497 CZ TYR A 99 19.748 -43.014 3.376 1.00 52.05 C ATOM 1498 OH TYR A 99 20.138 -42.988 2.056 1.00 30.22 O ATOM 0 H TYR A 99 18.916 -41.078 9.500 1.00 14.44 H new ATOM 0 HA TYR A 99 17.304 -41.387 7.054 1.00 64.11 H new ATOM 0 HB2 TYR A 99 19.417 -43.203 8.122 1.00 34.10 H new ATOM 0 HB3 TYR A 99 17.912 -43.974 7.662 1.00 34.10 H new ATOM 0 HD1 TYR A 99 20.773 -41.993 6.411 1.00 55.24 H new ATOM 0 HD2 TYR A 99 17.251 -44.135 5.330 1.00 43.22 H new ATOM 0 HE1 TYR A 99 21.467 -41.943 4.056 1.00 11.40 H new ATOM 0 HE2 TYR A 99 17.947 -44.092 2.975 1.00 54.31 H new ATOM 0 HH TYR A 99 19.468 -43.448 1.508 1.00 30.22 H new ATOM 1508 N ILE A 100 15.476 -42.533 8.362 1.00 44.21 N ATOM 1509 CA ILE A 100 14.335 -42.921 9.182 1.00 64.03 C ATOM 1510 C ILE A 100 13.959 -44.380 8.945 1.00 4.21 C ATOM 1511 O ILE A 100 13.503 -44.746 7.862 1.00 24.21 O ATOM 1512 CB ILE A 100 13.109 -42.034 8.896 1.00 3.24 C ATOM 1513 CG1 ILE A 100 13.444 -40.564 9.160 1.00 74.13 C ATOM 1514 CG2 ILE A 100 11.927 -42.474 9.747 1.00 62.42 C ATOM 1515 CD1 ILE A 100 12.291 -39.624 8.886 1.00 14.24 C ATOM 0 H ILE A 100 15.288 -42.512 7.360 1.00 44.21 H new ATOM 0 HA ILE A 100 14.634 -42.789 10.222 1.00 64.03 H new ATOM 0 HB ILE A 100 12.837 -42.143 7.846 1.00 3.24 H new ATOM 0 HG12 ILE A 100 13.755 -40.451 10.198 1.00 74.13 H new ATOM 0 HG13 ILE A 100 14.293 -40.276 8.540 1.00 74.13 H new ATOM 0 HG21 ILE A 100 11.068 -41.838 9.534 1.00 62.42 H new ATOM 0 HG22 ILE A 100 11.678 -43.510 9.516 1.00 62.42 H new ATOM 0 HG23 ILE A 100 12.187 -42.390 10.802 1.00 62.42 H new ATOM 0 HD11 ILE A 100 12.599 -38.599 9.094 1.00 14.24 H new ATOM 0 HD12 ILE A 100 11.994 -39.708 7.841 1.00 14.24 H new ATOM 0 HD13 ILE A 100 11.448 -39.886 9.525 1.00 14.24 H new ATOM 1527 N SER A 101 14.152 -45.208 9.967 1.00 63.14 N ATOM 1528 CA SER A 101 13.835 -46.628 9.870 1.00 63.13 C ATOM 1529 C SER A 101 12.580 -46.960 10.671 1.00 60.53 C ATOM 1530 O SER A 101 11.916 -46.071 11.202 1.00 53.05 O ATOM 1531 CB SER A 101 15.011 -47.470 10.370 1.00 72.05 C ATOM 1532 OG SER A 101 15.094 -47.441 11.784 1.00 51.11 O ATOM 0 H SER A 101 14.526 -44.920 10.871 1.00 63.14 H new ATOM 0 HA SER A 101 13.649 -46.863 8.822 1.00 63.13 H new ATOM 0 HB2 SER A 101 14.896 -48.499 10.030 1.00 72.05 H new ATOM 0 HB3 SER A 101 15.940 -47.095 9.940 1.00 72.05 H new ATOM 0 HG SER A 101 15.852 -47.988 12.078 1.00 51.11 H new ATOM 1538 N ALA A 102 12.262 -48.248 10.753 1.00 71.21 N ATOM 1539 CA ALA A 102 11.088 -48.700 11.490 1.00 3.41 C ATOM 1540 C ALA A 102 11.258 -48.469 12.988 1.00 45.22 C ATOM 1541 O ALA A 102 10.289 -48.211 13.700 1.00 55.23 O ATOM 1542 CB ALA A 102 10.821 -50.171 11.208 1.00 42.43 C ATOM 0 H ALA A 102 12.801 -48.997 10.318 1.00 71.21 H new ATOM 0 HA ALA A 102 10.231 -48.116 11.153 1.00 3.41 H new ATOM 0 HB1 ALA A 102 9.942 -50.494 11.765 1.00 42.43 H new ATOM 0 HB2 ALA A 102 10.647 -50.311 10.141 1.00 42.43 H new ATOM 0 HB3 ALA A 102 11.683 -50.763 11.516 1.00 42.43 H new ATOM 1548 N ALA A 103 12.497 -48.564 13.459 1.00 23.24 N ATOM 1549 CA ALA A 103 12.794 -48.365 14.872 1.00 2.45 C ATOM 1550 C ALA A 103 12.616 -46.903 15.270 1.00 72.13 C ATOM 1551 O ALA A 103 12.018 -46.600 16.302 1.00 71.14 O ATOM 1552 CB ALA A 103 14.209 -48.830 15.185 1.00 13.34 C ATOM 0 H ALA A 103 13.311 -48.778 12.883 1.00 23.24 H new ATOM 0 HA ALA A 103 12.090 -48.961 15.453 1.00 2.45 H new ATOM 0 HB1 ALA A 103 14.417 -48.675 16.244 1.00 13.34 H new ATOM 0 HB2 ALA A 103 14.305 -49.889 14.947 1.00 13.34 H new ATOM 0 HB3 ALA A 103 14.920 -48.259 14.588 1.00 13.34 H new ATOM 1558 N GLU A 104 13.139 -46.002 14.444 1.00 30.02 N ATOM 1559 CA GLU A 104 13.038 -44.572 14.712 1.00 70.22 C ATOM 1560 C GLU A 104 11.631 -44.061 14.416 1.00 32.41 C ATOM 1561 O GLU A 104 11.009 -43.401 15.250 1.00 24.42 O ATOM 1562 CB GLU A 104 14.059 -43.800 13.874 1.00 62.45 C ATOM 1563 CG GLU A 104 15.432 -43.709 14.519 1.00 72.03 C ATOM 1564 CD GLU A 104 16.216 -42.497 14.053 1.00 32.51 C ATOM 1565 OE1 GLU A 104 15.759 -41.824 13.105 1.00 30.53 O ATOM 1566 OE2 GLU A 104 17.285 -42.222 14.636 1.00 64.54 O ATOM 0 H GLU A 104 13.636 -46.237 13.585 1.00 30.02 H new ATOM 0 HA GLU A 104 13.250 -44.411 15.769 1.00 70.22 H new ATOM 0 HB2 GLU A 104 14.155 -44.281 12.901 1.00 62.45 H new ATOM 0 HB3 GLU A 104 13.683 -42.793 13.696 1.00 62.45 H new ATOM 0 HG2 GLU A 104 15.319 -43.669 15.602 1.00 72.03 H new ATOM 0 HG3 GLU A 104 15.997 -44.613 14.291 1.00 72.03 H new ATOM 1573 N LEU A 105 11.134 -44.371 13.223 1.00 2.44 N ATOM 1574 CA LEU A 105 9.800 -43.943 12.816 1.00 63.02 C ATOM 1575 C LEU A 105 8.756 -44.361 13.846 1.00 0.31 C ATOM 1576 O LEU A 105 7.868 -43.583 14.195 1.00 52.33 O ATOM 1577 CB LEU A 105 9.450 -44.534 11.449 1.00 55.50 C ATOM 1578 CG LEU A 105 8.098 -44.119 10.866 1.00 61.43 C ATOM 1579 CD1 LEU A 105 8.009 -42.606 10.749 1.00 55.25 C ATOM 1580 CD2 LEU A 105 7.879 -44.775 9.510 1.00 32.11 C ATOM 0 H LEU A 105 11.634 -44.917 12.521 1.00 2.44 H new ATOM 0 HA LEU A 105 9.799 -42.855 12.747 1.00 63.02 H new ATOM 0 HB2 LEU A 105 10.230 -44.251 10.742 1.00 55.50 H new ATOM 0 HB3 LEU A 105 9.471 -45.621 11.529 1.00 55.50 H new ATOM 0 HG LEU A 105 7.313 -44.457 11.542 1.00 61.43 H new ATOM 0 HD11 LEU A 105 7.040 -42.330 10.332 1.00 55.25 H new ATOM 0 HD12 LEU A 105 8.121 -42.158 11.736 1.00 55.25 H new ATOM 0 HD13 LEU A 105 8.802 -42.244 10.094 1.00 55.25 H new ATOM 0 HD21 LEU A 105 6.912 -44.469 9.110 1.00 32.11 H new ATOM 0 HD22 LEU A 105 8.669 -44.468 8.825 1.00 32.11 H new ATOM 0 HD23 LEU A 105 7.898 -45.859 9.623 1.00 32.11 H new ATOM 1592 N ARG A 106 8.870 -45.593 14.331 1.00 5.20 N ATOM 1593 CA ARG A 106 7.937 -46.113 15.322 1.00 32.44 C ATOM 1594 C ARG A 106 7.892 -45.212 16.553 1.00 54.03 C ATOM 1595 O ARG A 106 6.817 -44.831 17.017 1.00 54.31 O ATOM 1596 CB ARG A 106 8.333 -47.533 15.731 1.00 24.15 C ATOM 1597 CG ARG A 106 7.484 -48.103 16.856 1.00 1.40 C ATOM 1598 CD ARG A 106 7.930 -49.506 17.235 1.00 71.32 C ATOM 1599 NE ARG A 106 9.343 -49.551 17.602 1.00 34.44 N ATOM 1600 CZ ARG A 106 9.994 -50.675 17.879 1.00 24.32 C ATOM 1601 NH1 ARG A 106 9.364 -51.841 17.830 1.00 12.40 N ATOM 1602 NH2 ARG A 106 11.280 -50.635 18.206 1.00 51.03 N ATOM 0 H ARG A 106 9.600 -46.249 14.053 1.00 5.20 H new ATOM 0 HA ARG A 106 6.944 -46.135 14.872 1.00 32.44 H new ATOM 0 HB2 ARG A 106 8.256 -48.187 14.862 1.00 24.15 H new ATOM 0 HB3 ARG A 106 9.378 -47.535 16.040 1.00 24.15 H new ATOM 0 HG2 ARG A 106 7.549 -47.452 17.728 1.00 1.40 H new ATOM 0 HG3 ARG A 106 6.438 -48.123 16.550 1.00 1.40 H new ATOM 0 HD2 ARG A 106 7.327 -49.865 18.069 1.00 71.32 H new ATOM 0 HD3 ARG A 106 7.751 -50.182 16.399 1.00 71.32 H new ATOM 0 HE ARG A 106 9.858 -48.672 17.648 1.00 34.44 H new ATOM 0 HH11 ARG A 106 8.376 -51.877 17.579 1.00 12.40 H new ATOM 0 HH12 ARG A 106 9.867 -52.702 18.043 1.00 12.40 H new ATOM 0 HH21 ARG A 106 11.769 -49.741 18.245 1.00 51.03 H new ATOM 0 HH22 ARG A 106 11.779 -51.499 18.419 1.00 51.03 H new ATOM 1616 N HIS A 107 9.066 -44.875 17.077 1.00 71.22 N ATOM 1617 CA HIS A 107 9.160 -44.019 18.254 1.00 45.45 C ATOM 1618 C HIS A 107 8.404 -42.711 18.036 1.00 23.41 C ATOM 1619 O HIS A 107 7.814 -42.162 18.966 1.00 14.10 O ATOM 1620 CB HIS A 107 10.625 -43.726 18.581 1.00 40.31 C ATOM 1621 CG HIS A 107 10.804 -42.730 19.686 1.00 64.35 C ATOM 1622 ND1 HIS A 107 10.498 -43.003 21.002 1.00 75.52 N ATOM 1623 CD2 HIS A 107 11.264 -41.457 19.664 1.00 31.32 C ATOM 1624 CE1 HIS A 107 10.759 -41.941 21.742 1.00 12.01 C ATOM 1625 NE2 HIS A 107 11.225 -40.989 20.954 1.00 5.15 N ATOM 0 H HIS A 107 9.965 -45.181 16.705 1.00 71.22 H new ATOM 0 HA HIS A 107 8.706 -44.545 19.094 1.00 45.45 H new ATOM 0 HB2 HIS A 107 11.120 -44.657 18.858 1.00 40.31 H new ATOM 0 HB3 HIS A 107 11.122 -43.355 17.684 1.00 40.31 H new ATOM 0 HD2 HIS A 107 11.599 -40.912 18.794 1.00 31.32 H new ATOM 0 HE1 HIS A 107 10.616 -41.864 22.810 1.00 12.01 H new ATOM 0 HE2 HIS A 107 11.510 -40.057 21.255 1.00 5.15 H new ATOM 1633 N VAL A 108 8.428 -42.218 16.802 1.00 75.00 N ATOM 1634 CA VAL A 108 7.744 -40.976 16.462 1.00 0.23 C ATOM 1635 C VAL A 108 6.231 -41.134 16.568 1.00 64.22 C ATOM 1636 O VAL A 108 5.547 -40.287 17.140 1.00 10.32 O ATOM 1637 CB VAL A 108 8.102 -40.509 15.039 1.00 62.23 C ATOM 1638 CG1 VAL A 108 7.362 -39.225 14.695 1.00 24.35 C ATOM 1639 CG2 VAL A 108 9.606 -40.321 14.903 1.00 55.32 C ATOM 0 H VAL A 108 8.914 -42.660 16.021 1.00 75.00 H new ATOM 0 HA VAL A 108 8.079 -40.225 17.178 1.00 0.23 H new ATOM 0 HB VAL A 108 7.790 -41.279 14.333 1.00 62.23 H new ATOM 0 HG11 VAL A 108 7.628 -38.911 13.686 1.00 24.35 H new ATOM 0 HG12 VAL A 108 6.287 -39.399 14.750 1.00 24.35 H new ATOM 0 HG13 VAL A 108 7.640 -38.444 15.403 1.00 24.35 H new ATOM 0 HG21 VAL A 108 9.841 -39.991 13.891 1.00 55.32 H new ATOM 0 HG22 VAL A 108 9.945 -39.571 15.618 1.00 55.32 H new ATOM 0 HG23 VAL A 108 10.110 -41.266 15.103 1.00 55.32 H new ATOM 1649 N MET A 109 5.716 -42.226 16.012 1.00 1.11 N ATOM 1650 CA MET A 109 4.284 -42.497 16.045 1.00 15.54 C ATOM 1651 C MET A 109 3.826 -42.831 17.462 1.00 63.44 C ATOM 1652 O MET A 109 2.659 -42.646 17.809 1.00 63.41 O ATOM 1653 CB MET A 109 3.938 -43.649 15.100 1.00 43.52 C ATOM 1654 CG MET A 109 3.826 -43.227 13.644 1.00 44.23 C ATOM 1655 SD MET A 109 2.393 -42.178 13.333 1.00 43.44 S ATOM 1656 CE MET A 109 1.792 -42.873 11.795 1.00 3.41 C ATOM 0 H MET A 109 6.269 -42.937 15.534 1.00 1.11 H new ATOM 0 HA MET A 109 3.763 -41.598 15.716 1.00 15.54 H new ATOM 0 HB2 MET A 109 4.701 -44.422 15.188 1.00 43.52 H new ATOM 0 HB3 MET A 109 2.994 -44.095 15.414 1.00 43.52 H new ATOM 0 HG2 MET A 109 4.731 -42.694 13.354 1.00 44.23 H new ATOM 0 HG3 MET A 109 3.764 -44.116 13.016 1.00 44.23 H new ATOM 0 HE1 MET A 109 0.702 -42.893 11.806 1.00 3.41 H new ATOM 0 HE2 MET A 109 2.136 -42.262 10.961 1.00 3.41 H new ATOM 0 HE3 MET A 109 2.172 -43.888 11.681 1.00 3.41 H new ATOM 1666 N THR A 110 4.753 -43.326 18.277 1.00 40.32 N ATOM 1667 CA THR A 110 4.445 -43.688 19.654 1.00 13.55 C ATOM 1668 C THR A 110 4.280 -42.447 20.525 1.00 71.10 C ATOM 1669 O THR A 110 3.245 -42.258 21.162 1.00 13.31 O ATOM 1670 CB THR A 110 5.542 -44.583 20.259 1.00 25.02 C ATOM 1671 OG1 THR A 110 5.905 -45.610 19.329 1.00 11.41 O ATOM 1672 CG2 THR A 110 5.070 -45.214 21.560 1.00 21.23 C ATOM 0 H THR A 110 5.723 -43.485 18.006 1.00 40.32 H new ATOM 0 HA THR A 110 3.506 -44.241 19.632 1.00 13.55 H new ATOM 0 HB THR A 110 6.412 -43.961 20.470 1.00 25.02 H new ATOM 0 HG1 THR A 110 6.523 -45.244 18.662 1.00 11.41 H new ATOM 0 HG21 THR A 110 5.862 -45.842 21.968 1.00 21.23 H new ATOM 0 HG22 THR A 110 4.823 -44.430 22.276 1.00 21.23 H new ATOM 0 HG23 THR A 110 4.186 -45.823 21.369 1.00 21.23 H new ATOM 1680 N ASN A 111 5.307 -41.604 20.547 1.00 63.23 N ATOM 1681 CA ASN A 111 5.276 -40.381 21.340 1.00 54.33 C ATOM 1682 C ASN A 111 4.080 -39.514 20.955 1.00 44.10 C ATOM 1683 O ASN A 111 3.580 -38.732 21.765 1.00 60.22 O ATOM 1684 CB ASN A 111 6.573 -39.592 21.151 1.00 23.34 C ATOM 1685 CG ASN A 111 6.440 -38.146 21.588 1.00 73.21 C ATOM 1686 OD1 ASN A 111 6.464 -37.232 20.763 1.00 34.51 O ATOM 1687 ND2 ASN A 111 6.298 -37.932 22.891 1.00 64.21 N ATOM 0 H ASN A 111 6.171 -41.746 20.024 1.00 63.23 H new ATOM 0 HA ASN A 111 5.178 -40.660 22.389 1.00 54.33 H new ATOM 0 HB2 ASN A 111 7.371 -40.069 21.720 1.00 23.34 H new ATOM 0 HB3 ASN A 111 6.866 -39.626 20.102 1.00 23.34 H new ATOM 0 HD21 ASN A 111 6.203 -36.980 23.244 1.00 64.21 H new ATOM 0 HD22 ASN A 111 6.284 -38.720 23.539 1.00 64.21 H new ATOM 1694 N LEU A 112 3.627 -39.658 19.715 1.00 62.13 N ATOM 1695 CA LEU A 112 2.490 -38.889 19.222 1.00 72.15 C ATOM 1696 C LEU A 112 1.193 -39.357 19.873 1.00 15.25 C ATOM 1697 O LEU A 112 0.211 -38.617 19.927 1.00 73.34 O ATOM 1698 CB LEU A 112 2.384 -39.016 17.701 1.00 42.22 C ATOM 1699 CG LEU A 112 3.323 -38.125 16.886 1.00 23.43 C ATOM 1700 CD1 LEU A 112 3.487 -38.671 15.476 1.00 23.54 C ATOM 1701 CD2 LEU A 112 2.804 -36.696 16.849 1.00 1.54 C ATOM 0 H LEU A 112 4.030 -40.300 19.032 1.00 62.13 H new ATOM 0 HA LEU A 112 2.650 -37.843 19.483 1.00 72.15 H new ATOM 0 HB2 LEU A 112 2.574 -40.054 17.429 1.00 42.22 H new ATOM 0 HB3 LEU A 112 1.358 -38.792 17.408 1.00 42.22 H new ATOM 0 HG LEU A 112 4.300 -38.123 17.369 1.00 23.43 H new ATOM 0 HD11 LEU A 112 4.158 -38.024 14.911 1.00 23.54 H new ATOM 0 HD12 LEU A 112 3.905 -39.677 15.522 1.00 23.54 H new ATOM 0 HD13 LEU A 112 2.515 -38.704 14.983 1.00 23.54 H new ATOM 0 HD21 LEU A 112 3.485 -36.077 16.265 1.00 1.54 H new ATOM 0 HD22 LEU A 112 1.815 -36.680 16.391 1.00 1.54 H new ATOM 0 HD23 LEU A 112 2.740 -36.306 17.865 1.00 1.54 H new ATOM 1713 N GLY A 113 1.197 -40.590 20.371 1.00 50.11 N ATOM 1714 CA GLY A 113 0.016 -41.134 21.015 1.00 71.42 C ATOM 1715 C GLY A 113 -0.758 -42.072 20.109 1.00 0.13 C ATOM 1716 O GLY A 113 -1.984 -42.146 20.185 1.00 22.22 O ATOM 0 H GLY A 113 1.997 -41.222 20.340 1.00 50.11 H new ATOM 0 HA2 GLY A 113 0.312 -41.668 21.918 1.00 71.42 H new ATOM 0 HA3 GLY A 113 -0.634 -40.316 21.326 1.00 71.42 H new ATOM 1720 N GLU A 114 -0.040 -42.788 19.249 1.00 34.14 N ATOM 1721 CA GLU A 114 -0.669 -43.723 18.324 1.00 70.41 C ATOM 1722 C GLU A 114 -0.346 -45.165 18.704 1.00 24.43 C ATOM 1723 O GLU A 114 0.584 -45.425 19.468 1.00 4.33 O ATOM 1724 CB GLU A 114 -0.207 -43.446 16.892 1.00 72.33 C ATOM 1725 CG GLU A 114 -1.079 -44.101 15.834 1.00 71.14 C ATOM 1726 CD GLU A 114 -2.547 -43.757 15.993 1.00 73.12 C ATOM 1727 OE1 GLU A 114 -2.847 -42.619 16.410 1.00 13.31 O ATOM 1728 OE2 GLU A 114 -3.396 -44.625 15.701 1.00 62.32 O ATOM 0 H GLU A 114 0.976 -42.738 19.174 1.00 34.14 H new ATOM 0 HA GLU A 114 -1.748 -43.583 18.384 1.00 70.41 H new ATOM 0 HB2 GLU A 114 -0.195 -42.369 16.725 1.00 72.33 H new ATOM 0 HB3 GLU A 114 0.818 -43.798 16.775 1.00 72.33 H new ATOM 0 HG2 GLU A 114 -0.741 -43.788 14.846 1.00 71.14 H new ATOM 0 HG3 GLU A 114 -0.956 -45.183 15.886 1.00 71.14 H new ATOM 1735 N LYS A 115 -1.121 -46.101 18.166 1.00 4.12 N ATOM 1736 CA LYS A 115 -0.918 -47.517 18.447 1.00 73.31 C ATOM 1737 C LYS A 115 -0.550 -48.277 17.176 1.00 11.33 C ATOM 1738 O LYS A 115 -1.408 -48.560 16.339 1.00 13.32 O ATOM 1739 CB LYS A 115 -2.181 -48.121 19.067 1.00 43.12 C ATOM 1740 CG LYS A 115 -2.398 -47.720 20.516 1.00 72.34 C ATOM 1741 CD LYS A 115 -3.796 -48.080 20.990 1.00 72.12 C ATOM 1742 CE LYS A 115 -4.016 -47.670 22.438 1.00 74.01 C ATOM 1743 NZ LYS A 115 -4.221 -46.201 22.573 1.00 31.34 N ATOM 0 H LYS A 115 -1.896 -45.904 17.533 1.00 4.12 H new ATOM 0 HA LYS A 115 -0.094 -47.607 19.155 1.00 73.31 H new ATOM 0 HB2 LYS A 115 -3.047 -47.814 18.480 1.00 43.12 H new ATOM 0 HB3 LYS A 115 -2.123 -49.208 19.004 1.00 43.12 H new ATOM 0 HG2 LYS A 115 -1.660 -48.216 21.146 1.00 72.34 H new ATOM 0 HG3 LYS A 115 -2.241 -46.647 20.625 1.00 72.34 H new ATOM 0 HD2 LYS A 115 -4.534 -47.589 20.356 1.00 72.12 H new ATOM 0 HD3 LYS A 115 -3.951 -49.154 20.887 1.00 72.12 H new ATOM 0 HE2 LYS A 115 -4.883 -48.196 22.837 1.00 74.01 H new ATOM 0 HE3 LYS A 115 -3.157 -47.973 23.036 1.00 74.01 H new ATOM 0 HZ1 LYS A 115 -4.367 -45.962 23.574 1.00 31.34 H new ATOM 0 HZ2 LYS A 115 -3.383 -45.699 22.216 1.00 31.34 H new ATOM 0 HZ3 LYS A 115 -5.056 -45.915 22.023 1.00 31.34 H new ATOM 1757 N LEU A 116 0.730 -48.605 17.039 1.00 73.31 N ATOM 1758 CA LEU A 116 1.211 -49.334 15.870 1.00 3.15 C ATOM 1759 C LEU A 116 2.079 -50.518 16.286 1.00 14.34 C ATOM 1760 O LEU A 116 3.170 -50.342 16.829 1.00 21.10 O ATOM 1761 CB LEU A 116 2.006 -48.401 14.955 1.00 24.13 C ATOM 1762 CG LEU A 116 1.392 -47.024 14.704 1.00 41.34 C ATOM 1763 CD1 LEU A 116 2.346 -46.152 13.901 1.00 72.51 C ATOM 1764 CD2 LEU A 116 0.057 -47.158 13.986 1.00 62.24 C ATOM 0 H LEU A 116 1.453 -48.378 17.722 1.00 73.31 H new ATOM 0 HA LEU A 116 0.345 -49.714 15.328 1.00 3.15 H new ATOM 0 HB2 LEU A 116 2.998 -48.261 15.385 1.00 24.13 H new ATOM 0 HB3 LEU A 116 2.142 -48.897 13.994 1.00 24.13 H new ATOM 0 HG LEU A 116 1.217 -46.544 15.667 1.00 41.34 H new ATOM 0 HD11 LEU A 116 1.892 -45.176 13.732 1.00 72.51 H new ATOM 0 HD12 LEU A 116 3.278 -46.028 14.453 1.00 72.51 H new ATOM 0 HD13 LEU A 116 2.553 -46.627 12.942 1.00 72.51 H new ATOM 0 HD21 LEU A 116 -0.366 -46.168 13.816 1.00 62.24 H new ATOM 0 HD22 LEU A 116 0.207 -47.658 13.029 1.00 62.24 H new ATOM 0 HD23 LEU A 116 -0.628 -47.744 14.598 1.00 62.24 H new ATOM 1776 N THR A 117 1.587 -51.725 16.027 1.00 71.34 N ATOM 1777 CA THR A 117 2.317 -52.938 16.373 1.00 73.44 C ATOM 1778 C THR A 117 3.518 -53.137 15.456 1.00 24.50 C ATOM 1779 O THR A 117 3.695 -52.407 14.481 1.00 60.01 O ATOM 1780 CB THR A 117 1.411 -54.182 16.290 1.00 1.33 C ATOM 1781 OG1 THR A 117 1.066 -54.447 14.926 1.00 1.01 O ATOM 1782 CG2 THR A 117 0.145 -53.984 17.110 1.00 52.02 C ATOM 0 H THR A 117 0.686 -51.889 15.579 1.00 71.34 H new ATOM 0 HA THR A 117 2.663 -52.817 17.400 1.00 73.44 H new ATOM 0 HB THR A 117 1.959 -55.032 16.697 1.00 1.33 H new ATOM 0 HG1 THR A 117 0.492 -55.240 14.882 1.00 1.01 H new ATOM 0 HG21 THR A 117 -0.479 -54.875 17.037 1.00 52.02 H new ATOM 0 HG22 THR A 117 0.410 -53.812 18.153 1.00 52.02 H new ATOM 0 HG23 THR A 117 -0.405 -53.123 16.729 1.00 52.02 H new ATOM 1790 N ASP A 118 4.341 -54.130 15.775 1.00 63.44 N ATOM 1791 CA ASP A 118 5.526 -54.427 14.978 1.00 43.20 C ATOM 1792 C ASP A 118 5.166 -54.579 13.504 1.00 73.44 C ATOM 1793 O ASP A 118 5.915 -54.154 12.625 1.00 60.51 O ATOM 1794 CB ASP A 118 6.202 -55.702 15.485 1.00 2.41 C ATOM 1795 CG ASP A 118 7.097 -55.446 16.682 1.00 51.20 C ATOM 1796 OD1 ASP A 118 7.411 -54.266 16.947 1.00 35.24 O ATOM 1797 OD2 ASP A 118 7.483 -56.425 17.354 1.00 52.02 O ATOM 0 H ASP A 118 4.209 -54.743 16.580 1.00 63.44 H new ATOM 0 HA ASP A 118 6.220 -53.592 15.080 1.00 43.20 H new ATOM 0 HB2 ASP A 118 5.439 -56.432 15.755 1.00 2.41 H new ATOM 0 HB3 ASP A 118 6.792 -56.141 14.681 1.00 2.41 H new ATOM 1802 N GLU A 119 4.014 -55.190 13.241 1.00 1.52 N ATOM 1803 CA GLU A 119 3.556 -55.400 11.873 1.00 41.41 C ATOM 1804 C GLU A 119 3.114 -54.084 11.239 1.00 11.21 C ATOM 1805 O GLU A 119 3.315 -53.860 10.046 1.00 3.31 O ATOM 1806 CB GLU A 119 2.402 -56.404 11.846 1.00 24.42 C ATOM 1807 CG GLU A 119 1.914 -56.733 10.446 1.00 53.14 C ATOM 1808 CD GLU A 119 2.974 -57.415 9.603 1.00 40.43 C ATOM 1809 OE1 GLU A 119 4.029 -57.783 10.159 1.00 3.44 O ATOM 1810 OE2 GLU A 119 2.748 -57.580 8.386 1.00 74.14 O ATOM 0 H GLU A 119 3.382 -55.548 13.957 1.00 1.52 H new ATOM 0 HA GLU A 119 4.390 -55.800 11.296 1.00 41.41 H new ATOM 0 HB2 GLU A 119 2.721 -57.324 12.336 1.00 24.42 H new ATOM 0 HB3 GLU A 119 1.571 -56.005 12.427 1.00 24.42 H new ATOM 0 HG2 GLU A 119 1.038 -57.378 10.513 1.00 53.14 H new ATOM 0 HG3 GLU A 119 1.597 -55.815 9.951 1.00 53.14 H new ATOM 1817 N GLU A 120 2.510 -53.218 12.047 1.00 32.11 N ATOM 1818 CA GLU A 120 2.038 -51.925 11.565 1.00 73.42 C ATOM 1819 C GLU A 120 3.204 -51.063 11.091 1.00 13.52 C ATOM 1820 O GLU A 120 3.106 -50.367 10.080 1.00 74.30 O ATOM 1821 CB GLU A 120 1.264 -51.197 12.666 1.00 40.02 C ATOM 1822 CG GLU A 120 0.408 -50.051 12.152 1.00 21.42 C ATOM 1823 CD GLU A 120 -1.008 -50.094 12.693 1.00 51.55 C ATOM 1824 OE1 GLU A 120 -1.191 -50.540 13.844 1.00 74.31 O ATOM 1825 OE2 GLU A 120 -1.933 -49.679 11.963 1.00 52.10 O ATOM 0 H GLU A 120 2.336 -53.388 13.038 1.00 32.11 H new ATOM 0 HA GLU A 120 1.373 -52.101 10.720 1.00 73.42 H new ATOM 0 HB2 GLU A 120 0.625 -51.913 13.184 1.00 40.02 H new ATOM 0 HB3 GLU A 120 1.971 -50.811 13.401 1.00 40.02 H new ATOM 0 HG2 GLU A 120 0.871 -49.104 12.429 1.00 21.42 H new ATOM 0 HG3 GLU A 120 0.378 -50.084 11.063 1.00 21.42 H new ATOM 1832 N VAL A 121 4.308 -51.112 11.830 1.00 34.32 N ATOM 1833 CA VAL A 121 5.493 -50.336 11.487 1.00 62.32 C ATOM 1834 C VAL A 121 6.057 -50.763 10.136 1.00 20.12 C ATOM 1835 O VAL A 121 6.427 -49.925 9.313 1.00 34.14 O ATOM 1836 CB VAL A 121 6.590 -50.483 12.558 1.00 31.12 C ATOM 1837 CG1 VAL A 121 7.815 -49.662 12.185 1.00 72.33 C ATOM 1838 CG2 VAL A 121 6.059 -50.073 13.923 1.00 12.33 C ATOM 0 H VAL A 121 4.406 -51.682 12.671 1.00 34.32 H new ATOM 0 HA VAL A 121 5.184 -49.292 11.435 1.00 62.32 H new ATOM 0 HB VAL A 121 6.887 -51.531 12.608 1.00 31.12 H new ATOM 0 HG11 VAL A 121 8.579 -49.779 12.954 1.00 72.33 H new ATOM 0 HG12 VAL A 121 8.207 -50.007 11.228 1.00 72.33 H new ATOM 0 HG13 VAL A 121 7.538 -48.611 12.105 1.00 72.33 H new ATOM 0 HG21 VAL A 121 6.847 -50.183 14.668 1.00 12.33 H new ATOM 0 HG22 VAL A 121 5.734 -49.033 13.890 1.00 12.33 H new ATOM 0 HG23 VAL A 121 5.215 -50.709 14.191 1.00 12.33 H new ATOM 1848 N ASP A 122 6.120 -52.071 9.914 1.00 33.33 N ATOM 1849 CA ASP A 122 6.637 -52.611 8.662 1.00 2.51 C ATOM 1850 C ASP A 122 5.854 -52.066 7.471 1.00 21.43 C ATOM 1851 O ASP A 122 6.431 -51.499 6.545 1.00 42.24 O ATOM 1852 CB ASP A 122 6.573 -54.139 8.675 1.00 3.40 C ATOM 1853 CG ASP A 122 7.430 -54.763 7.592 1.00 64.15 C ATOM 1854 OD1 ASP A 122 8.288 -54.050 7.029 1.00 35.32 O ATOM 1855 OD2 ASP A 122 7.243 -55.964 7.305 1.00 24.43 O ATOM 0 H ASP A 122 5.819 -52.778 10.585 1.00 33.33 H new ATOM 0 HA ASP A 122 7.677 -52.300 8.563 1.00 2.51 H new ATOM 0 HB2 ASP A 122 6.899 -54.505 9.648 1.00 3.40 H new ATOM 0 HB3 ASP A 122 5.539 -54.458 8.545 1.00 3.40 H new ATOM 1860 N GLU A 123 4.537 -52.245 7.504 1.00 62.01 N ATOM 1861 CA GLU A 123 3.676 -51.773 6.426 1.00 61.32 C ATOM 1862 C GLU A 123 3.861 -50.276 6.198 1.00 54.22 C ATOM 1863 O GLU A 123 3.686 -49.781 5.085 1.00 55.31 O ATOM 1864 CB GLU A 123 2.210 -52.075 6.745 1.00 43.01 C ATOM 1865 CG GLU A 123 1.280 -51.898 5.557 1.00 71.13 C ATOM 1866 CD GLU A 123 0.922 -50.446 5.308 1.00 55.15 C ATOM 1867 OE1 GLU A 123 0.608 -49.736 6.287 1.00 64.45 O ATOM 1868 OE2 GLU A 123 0.954 -50.019 4.135 1.00 72.04 O ATOM 0 H GLU A 123 4.044 -52.713 8.264 1.00 62.01 H new ATOM 0 HA GLU A 123 3.957 -52.299 5.514 1.00 61.32 H new ATOM 0 HB2 GLU A 123 2.130 -53.099 7.109 1.00 43.01 H new ATOM 0 HB3 GLU A 123 1.881 -51.422 7.554 1.00 43.01 H new ATOM 0 HG2 GLU A 123 1.753 -52.310 4.665 1.00 71.13 H new ATOM 0 HG3 GLU A 123 0.367 -52.469 5.726 1.00 71.13 H new ATOM 1875 N MET A 124 4.215 -49.561 7.261 1.00 53.35 N ATOM 1876 CA MET A 124 4.423 -48.120 7.177 1.00 45.24 C ATOM 1877 C MET A 124 5.655 -47.797 6.336 1.00 12.01 C ATOM 1878 O MET A 124 5.559 -47.114 5.316 1.00 64.33 O ATOM 1879 CB MET A 124 4.576 -47.523 8.577 1.00 44.42 C ATOM 1880 CG MET A 124 4.526 -46.004 8.598 1.00 4.53 C ATOM 1881 SD MET A 124 4.511 -45.333 10.272 1.00 41.21 S ATOM 1882 CE MET A 124 4.291 -43.587 9.935 1.00 22.42 C ATOM 0 H MET A 124 4.364 -49.956 8.190 1.00 53.35 H new ATOM 0 HA MET A 124 3.550 -47.679 6.695 1.00 45.24 H new ATOM 0 HB2 MET A 124 3.786 -47.913 9.218 1.00 44.42 H new ATOM 0 HB3 MET A 124 5.524 -47.853 9.002 1.00 44.42 H new ATOM 0 HG2 MET A 124 5.387 -45.608 8.060 1.00 4.53 H new ATOM 0 HG3 MET A 124 3.636 -45.666 8.067 1.00 4.53 H new ATOM 0 HE1 MET A 124 4.351 -43.026 10.868 1.00 22.42 H new ATOM 0 HE2 MET A 124 5.072 -43.246 9.256 1.00 22.42 H new ATOM 0 HE3 MET A 124 3.316 -43.425 9.476 1.00 22.42 H new ATOM 1892 N ILE A 125 6.809 -48.291 6.771 1.00 32.23 N ATOM 1893 CA ILE A 125 8.058 -48.055 6.058 1.00 72.42 C ATOM 1894 C ILE A 125 7.942 -48.471 4.595 1.00 24.32 C ATOM 1895 O ILE A 125 8.516 -47.835 3.711 1.00 13.42 O ATOM 1896 CB ILE A 125 9.229 -48.818 6.706 1.00 52.43 C ATOM 1897 CG1 ILE A 125 9.477 -48.304 8.125 1.00 4.52 C ATOM 1898 CG2 ILE A 125 10.485 -48.678 5.858 1.00 32.45 C ATOM 1899 CD1 ILE A 125 10.005 -46.887 8.171 1.00 41.41 C ATOM 0 H ILE A 125 6.905 -48.857 7.614 1.00 32.23 H new ATOM 0 HA ILE A 125 8.257 -46.985 6.115 1.00 72.42 H new ATOM 0 HB ILE A 125 8.969 -49.875 6.763 1.00 52.43 H new ATOM 0 HG12 ILE A 125 8.546 -48.354 8.689 1.00 4.52 H new ATOM 0 HG13 ILE A 125 10.187 -48.964 8.623 1.00 4.52 H new ATOM 0 HG21 ILE A 125 11.304 -49.222 6.328 1.00 32.45 H new ATOM 0 HG22 ILE A 125 10.301 -49.087 4.865 1.00 32.45 H new ATOM 0 HG23 ILE A 125 10.751 -47.624 5.773 1.00 32.45 H new ATOM 0 HD11 ILE A 125 10.157 -46.589 9.208 1.00 41.41 H new ATOM 0 HD12 ILE A 125 10.953 -46.834 7.635 1.00 41.41 H new ATOM 0 HD13 ILE A 125 9.286 -46.215 7.703 1.00 41.41 H new ATOM 1911 N ARG A 126 7.196 -49.543 4.347 1.00 11.55 N ATOM 1912 CA ARG A 126 7.004 -50.043 2.992 1.00 64.42 C ATOM 1913 C ARG A 126 6.325 -48.995 2.116 1.00 41.23 C ATOM 1914 O ARG A 126 6.568 -48.927 0.911 1.00 22.24 O ATOM 1915 CB ARG A 126 6.169 -51.325 3.012 1.00 64.01 C ATOM 1916 CG ARG A 126 6.107 -52.033 1.668 1.00 0.51 C ATOM 1917 CD ARG A 126 5.615 -53.464 1.814 1.00 11.15 C ATOM 1918 NE ARG A 126 4.179 -53.525 2.076 1.00 24.02 N ATOM 1919 CZ ARG A 126 3.444 -54.616 1.891 1.00 43.23 C ATOM 1920 NH1 ARG A 126 4.007 -55.731 1.445 1.00 0.42 N ATOM 1921 NH2 ARG A 126 2.143 -54.593 2.151 1.00 5.05 N ATOM 0 H ARG A 126 6.715 -50.082 5.067 1.00 11.55 H new ATOM 0 HA ARG A 126 7.985 -50.263 2.571 1.00 64.42 H new ATOM 0 HB2 ARG A 126 6.584 -52.007 3.754 1.00 64.01 H new ATOM 0 HB3 ARG A 126 5.156 -51.084 3.333 1.00 64.01 H new ATOM 0 HG2 ARG A 126 5.444 -51.486 0.998 1.00 0.51 H new ATOM 0 HG3 ARG A 126 7.096 -52.032 1.209 1.00 0.51 H new ATOM 0 HD2 ARG A 126 5.841 -54.020 0.904 1.00 11.15 H new ATOM 0 HD3 ARG A 126 6.153 -53.951 2.627 1.00 11.15 H new ATOM 0 HE ARG A 126 3.715 -52.684 2.420 1.00 24.02 H new ATOM 0 HH11 ARG A 126 5.007 -55.752 1.243 1.00 0.42 H new ATOM 0 HH12 ARG A 126 3.440 -56.567 1.304 1.00 0.42 H new ATOM 0 HH21 ARG A 126 1.706 -53.737 2.493 1.00 5.05 H new ATOM 0 HH22 ARG A 126 1.580 -55.431 2.009 1.00 5.05 H new ATOM 1935 N GLU A 127 5.473 -48.180 2.730 1.00 51.02 N ATOM 1936 CA GLU A 127 4.758 -47.136 2.005 1.00 70.12 C ATOM 1937 C GLU A 127 5.700 -46.000 1.618 1.00 50.41 C ATOM 1938 O GLU A 127 5.688 -45.529 0.481 1.00 73.01 O ATOM 1939 CB GLU A 127 3.606 -46.592 2.853 1.00 24.40 C ATOM 1940 CG GLU A 127 2.540 -45.874 2.043 1.00 4.21 C ATOM 1941 CD GLU A 127 3.013 -44.533 1.516 1.00 1.21 C ATOM 1942 OE1 GLU A 127 3.871 -43.907 2.173 1.00 0.14 O ATOM 1943 OE2 GLU A 127 2.526 -44.109 0.448 1.00 75.35 O ATOM 0 H GLU A 127 5.261 -48.222 3.727 1.00 51.02 H new ATOM 0 HA GLU A 127 4.352 -47.575 1.094 1.00 70.12 H new ATOM 0 HB2 GLU A 127 3.144 -47.417 3.395 1.00 24.40 H new ATOM 0 HB3 GLU A 127 4.007 -45.906 3.599 1.00 24.40 H new ATOM 0 HG2 GLU A 127 2.239 -46.504 1.206 1.00 4.21 H new ATOM 0 HG3 GLU A 127 1.656 -45.725 2.663 1.00 4.21 H new ATOM 1950 N ALA A 128 6.515 -45.563 2.573 1.00 70.52 N ATOM 1951 CA ALA A 128 7.464 -44.484 2.333 1.00 43.14 C ATOM 1952 C ALA A 128 8.631 -44.960 1.473 1.00 13.51 C ATOM 1953 O ALA A 128 9.269 -44.166 0.781 1.00 15.32 O ATOM 1954 CB ALA A 128 7.973 -43.925 3.653 1.00 11.31 C ATOM 0 H ALA A 128 6.536 -45.940 3.520 1.00 70.52 H new ATOM 0 HA ALA A 128 6.946 -43.692 1.791 1.00 43.14 H new ATOM 0 HB1 ALA A 128 8.681 -43.120 3.458 1.00 11.31 H new ATOM 0 HB2 ALA A 128 7.134 -43.539 4.232 1.00 11.31 H new ATOM 0 HB3 ALA A 128 8.469 -44.716 4.216 1.00 11.31 H new ATOM 1960 N ASP A 129 8.904 -46.258 1.522 1.00 25.53 N ATOM 1961 CA ASP A 129 9.994 -46.840 0.747 1.00 25.05 C ATOM 1962 C ASP A 129 9.687 -46.789 -0.746 1.00 21.21 C ATOM 1963 O ASP A 129 9.141 -47.738 -1.309 1.00 54.25 O ATOM 1964 CB ASP A 129 10.242 -48.286 1.181 1.00 40.30 C ATOM 1965 CG ASP A 129 11.591 -48.805 0.722 1.00 14.13 C ATOM 1966 OD1 ASP A 129 12.398 -47.996 0.218 1.00 73.13 O ATOM 1967 OD2 ASP A 129 11.839 -50.020 0.869 1.00 42.33 O ATOM 0 H ASP A 129 8.386 -46.928 2.090 1.00 25.53 H new ATOM 0 HA ASP A 129 10.894 -46.254 0.935 1.00 25.05 H new ATOM 0 HB2 ASP A 129 10.181 -48.352 2.267 1.00 40.30 H new ATOM 0 HB3 ASP A 129 9.455 -48.923 0.778 1.00 40.30 H new ATOM 1972 N ILE A 130 10.041 -45.676 -1.380 1.00 31.41 N ATOM 1973 CA ILE A 130 9.803 -45.503 -2.807 1.00 52.44 C ATOM 1974 C ILE A 130 10.865 -46.221 -3.633 1.00 53.33 C ATOM 1975 O ILE A 130 10.547 -46.951 -4.572 1.00 52.12 O ATOM 1976 CB ILE A 130 9.785 -44.013 -3.198 1.00 4.10 C ATOM 1977 CG1 ILE A 130 8.700 -43.271 -2.416 1.00 11.23 C ATOM 1978 CG2 ILE A 130 9.565 -43.861 -4.696 1.00 14.45 C ATOM 1979 CD1 ILE A 130 8.831 -41.765 -2.480 1.00 62.20 C ATOM 0 H ILE A 130 10.493 -44.881 -0.928 1.00 31.41 H new ATOM 0 HA ILE A 130 8.826 -45.938 -3.019 1.00 52.44 H new ATOM 0 HB ILE A 130 10.751 -43.575 -2.946 1.00 4.10 H new ATOM 0 HG12 ILE A 130 7.723 -43.559 -2.804 1.00 11.23 H new ATOM 0 HG13 ILE A 130 8.735 -43.587 -1.373 1.00 11.23 H new ATOM 0 HG21 ILE A 130 9.555 -42.803 -4.957 1.00 14.45 H new ATOM 0 HG22 ILE A 130 10.371 -44.360 -5.235 1.00 14.45 H new ATOM 0 HG23 ILE A 130 8.611 -44.312 -4.971 1.00 14.45 H new ATOM 0 HD11 ILE A 130 8.028 -41.305 -1.903 1.00 62.20 H new ATOM 0 HD12 ILE A 130 9.793 -41.466 -2.065 1.00 62.20 H new ATOM 0 HD13 ILE A 130 8.766 -41.438 -3.518 1.00 62.20 H new ATOM 1991 N ASP A 131 12.127 -46.010 -3.276 1.00 53.21 N ATOM 1992 CA ASP A 131 13.237 -46.639 -3.982 1.00 74.31 C ATOM 1993 C ASP A 131 13.350 -48.115 -3.611 1.00 11.40 C ATOM 1994 O ASP A 131 14.121 -48.859 -4.214 1.00 60.53 O ATOM 1995 CB ASP A 131 14.547 -45.918 -3.662 1.00 71.15 C ATOM 1996 CG ASP A 131 14.793 -45.797 -2.171 1.00 75.43 C ATOM 1997 OD1 ASP A 131 14.336 -46.685 -1.421 1.00 31.24 O ATOM 1998 OD2 ASP A 131 15.442 -44.816 -1.755 1.00 41.30 O ATOM 0 H ASP A 131 12.407 -45.408 -2.502 1.00 53.21 H new ATOM 0 HA ASP A 131 13.043 -46.566 -5.052 1.00 74.31 H new ATOM 0 HB2 ASP A 131 15.376 -46.456 -4.121 1.00 71.15 H new ATOM 0 HB3 ASP A 131 14.528 -44.923 -4.106 1.00 71.15 H new ATOM 2003 N GLY A 132 12.576 -48.530 -2.613 1.00 0.25 N ATOM 2004 CA GLY A 132 12.606 -49.914 -2.177 1.00 54.13 C ATOM 2005 C GLY A 132 13.952 -50.314 -1.607 1.00 51.31 C ATOM 2006 O GLY A 132 14.479 -51.378 -1.931 1.00 22.24 O ATOM 0 H GLY A 132 11.929 -47.933 -2.099 1.00 0.25 H new ATOM 0 HA2 GLY A 132 11.835 -50.071 -1.423 1.00 54.13 H new ATOM 0 HA3 GLY A 132 12.365 -50.562 -3.019 1.00 54.13 H new ATOM 2010 N ASP A 133 14.510 -49.458 -0.758 1.00 24.52 N ATOM 2011 CA ASP A 133 15.804 -49.728 -0.142 1.00 4.24 C ATOM 2012 C ASP A 133 15.631 -50.432 1.200 1.00 22.05 C ATOM 2013 O ASP A 133 16.579 -51.000 1.742 1.00 74.55 O ATOM 2014 CB ASP A 133 16.584 -48.425 0.049 1.00 74.55 C ATOM 2015 CG ASP A 133 15.928 -47.500 1.055 1.00 61.31 C ATOM 2016 OD1 ASP A 133 14.726 -47.687 1.338 1.00 52.34 O ATOM 2017 OD2 ASP A 133 16.618 -46.590 1.561 1.00 74.44 O ATOM 0 H ASP A 133 14.087 -48.572 -0.481 1.00 24.52 H new ATOM 0 HA ASP A 133 16.365 -50.385 -0.807 1.00 4.24 H new ATOM 0 HB2 ASP A 133 17.597 -48.656 0.379 1.00 74.55 H new ATOM 0 HB3 ASP A 133 16.670 -47.913 -0.909 1.00 74.55 H new ATOM 2022 N GLY A 134 14.414 -50.389 1.733 1.00 14.21 N ATOM 2023 CA GLY A 134 14.139 -51.025 3.008 1.00 33.21 C ATOM 2024 C GLY A 134 14.042 -50.028 4.145 1.00 14.51 C ATOM 2025 O GLY A 134 13.865 -50.411 5.301 1.00 2.42 O ATOM 0 H GLY A 134 13.613 -49.925 1.304 1.00 14.21 H new ATOM 0 HA2 GLY A 134 13.205 -51.583 2.938 1.00 33.21 H new ATOM 0 HA3 GLY A 134 14.926 -51.746 3.228 1.00 33.21 H new ATOM 2029 N GLN A 135 14.159 -48.745 3.817 1.00 73.05 N ATOM 2030 CA GLN A 135 14.085 -47.690 4.820 1.00 24.04 C ATOM 2031 C GLN A 135 13.501 -46.413 4.226 1.00 14.12 C ATOM 2032 O GLN A 135 13.292 -46.317 3.017 1.00 65.34 O ATOM 2033 CB GLN A 135 15.474 -47.409 5.398 1.00 52.13 C ATOM 2034 CG GLN A 135 15.471 -47.166 6.898 1.00 12.43 C ATOM 2035 CD GLN A 135 16.771 -47.580 7.559 1.00 12.31 C ATOM 2036 OE1 GLN A 135 16.830 -48.589 8.262 1.00 75.23 O ATOM 2037 NE2 GLN A 135 17.823 -46.800 7.337 1.00 73.21 N ATOM 0 H GLN A 135 14.305 -48.412 2.864 1.00 73.05 H new ATOM 0 HA GLN A 135 13.427 -48.030 5.620 1.00 24.04 H new ATOM 0 HB2 GLN A 135 16.128 -48.252 5.176 1.00 52.13 H new ATOM 0 HB3 GLN A 135 15.897 -46.538 4.898 1.00 52.13 H new ATOM 0 HG2 GLN A 135 15.291 -46.108 7.090 1.00 12.43 H new ATOM 0 HG3 GLN A 135 14.646 -47.717 7.350 1.00 12.43 H new ATOM 0 HE21 GLN A 135 17.729 -45.973 6.747 1.00 73.21 H new ATOM 0 HE22 GLN A 135 18.725 -47.028 7.756 1.00 73.21 H new ATOM 2046 N VAL A 136 13.237 -45.433 5.085 1.00 20.10 N ATOM 2047 CA VAL A 136 12.677 -44.161 4.645 1.00 12.01 C ATOM 2048 C VAL A 136 13.712 -43.046 4.731 1.00 45.55 C ATOM 2049 O VAL A 136 14.141 -42.665 5.819 1.00 42.00 O ATOM 2050 CB VAL A 136 11.446 -43.769 5.484 1.00 22.44 C ATOM 2051 CG1 VAL A 136 10.840 -42.472 4.971 1.00 5.12 C ATOM 2052 CG2 VAL A 136 10.416 -44.889 5.474 1.00 44.12 C ATOM 0 H VAL A 136 13.402 -45.496 6.090 1.00 20.10 H new ATOM 0 HA VAL A 136 12.373 -44.292 3.606 1.00 12.01 H new ATOM 0 HB VAL A 136 11.766 -43.610 6.514 1.00 22.44 H new ATOM 0 HG11 VAL A 136 9.972 -42.212 5.576 1.00 5.12 H new ATOM 0 HG12 VAL A 136 11.580 -41.674 5.036 1.00 5.12 H new ATOM 0 HG13 VAL A 136 10.533 -42.599 3.933 1.00 5.12 H new ATOM 0 HG21 VAL A 136 9.553 -44.595 6.072 1.00 44.12 H new ATOM 0 HG22 VAL A 136 10.099 -45.083 4.449 1.00 44.12 H new ATOM 0 HG23 VAL A 136 10.857 -45.793 5.894 1.00 44.12 H new ATOM 2062 N ASN A 137 14.110 -42.525 3.574 1.00 2.11 N ATOM 2063 CA ASN A 137 15.096 -41.452 3.518 1.00 43.11 C ATOM 2064 C ASN A 137 14.415 -40.087 3.493 1.00 34.30 C ATOM 2065 O ASN A 137 13.193 -39.994 3.374 1.00 74.22 O ATOM 2066 CB ASN A 137 15.986 -41.613 2.283 1.00 12.34 C ATOM 2067 CG ASN A 137 15.183 -41.847 1.019 1.00 75.04 C ATOM 2068 OD1 ASN A 137 14.044 -41.394 0.900 1.00 1.40 O ATOM 2069 ND2 ASN A 137 15.774 -42.559 0.066 1.00 55.31 N ATOM 0 H ASN A 137 13.765 -42.829 2.663 1.00 2.11 H new ATOM 0 HA ASN A 137 15.714 -41.513 4.414 1.00 43.11 H new ATOM 0 HB2 ASN A 137 16.599 -40.720 2.161 1.00 12.34 H new ATOM 0 HB3 ASN A 137 16.668 -42.449 2.437 1.00 12.34 H new ATOM 0 HD21 ASN A 137 15.282 -42.750 -0.807 1.00 55.31 H new ATOM 0 HD22 ASN A 137 16.719 -42.915 0.207 1.00 55.31 H new ATOM 2076 N TYR A 138 15.213 -39.031 3.606 1.00 74.43 N ATOM 2077 CA TYR A 138 14.687 -37.672 3.598 1.00 13.51 C ATOM 2078 C TYR A 138 13.845 -37.420 2.351 1.00 42.24 C ATOM 2079 O TYR A 138 12.738 -36.889 2.433 1.00 62.12 O ATOM 2080 CB TYR A 138 15.831 -36.659 3.668 1.00 63.35 C ATOM 2081 CG TYR A 138 15.368 -35.220 3.652 1.00 5.14 C ATOM 2082 CD1 TYR A 138 14.788 -34.645 4.776 1.00 15.20 C ATOM 2083 CD2 TYR A 138 15.511 -34.435 2.515 1.00 70.54 C ATOM 2084 CE1 TYR A 138 14.362 -33.330 4.767 1.00 65.32 C ATOM 2085 CE2 TYR A 138 15.090 -33.120 2.497 1.00 42.22 C ATOM 2086 CZ TYR A 138 14.516 -32.572 3.625 1.00 4.10 C ATOM 2087 OH TYR A 138 14.095 -31.262 3.611 1.00 73.12 O ATOM 0 H TYR A 138 16.227 -39.090 3.704 1.00 74.43 H new ATOM 0 HA TYR A 138 14.050 -37.552 4.474 1.00 13.51 H new ATOM 0 HB2 TYR A 138 16.407 -36.836 4.576 1.00 63.35 H new ATOM 0 HB3 TYR A 138 16.504 -36.825 2.827 1.00 63.35 H new ATOM 0 HD1 TYR A 138 14.668 -35.236 5.672 1.00 15.20 H new ATOM 0 HD2 TYR A 138 15.959 -34.861 1.629 1.00 70.54 H new ATOM 0 HE1 TYR A 138 13.911 -32.899 5.649 1.00 65.32 H new ATOM 0 HE2 TYR A 138 15.210 -32.524 1.604 1.00 42.22 H new ATOM 0 HH TYR A 138 14.277 -30.869 2.732 1.00 73.12 H new ATOM 2097 N GLU A 139 14.380 -37.806 1.196 1.00 12.03 N ATOM 2098 CA GLU A 139 13.679 -37.622 -0.069 1.00 34.21 C ATOM 2099 C GLU A 139 12.267 -38.196 0.003 1.00 35.33 C ATOM 2100 O GLU A 139 11.296 -37.531 -0.357 1.00 3.44 O ATOM 2101 CB GLU A 139 14.454 -38.287 -1.208 1.00 74.34 C ATOM 2102 CG GLU A 139 13.819 -38.086 -2.574 1.00 65.14 C ATOM 2103 CD GLU A 139 14.801 -38.298 -3.710 1.00 44.03 C ATOM 2104 OE1 GLU A 139 15.156 -39.466 -3.977 1.00 53.53 O ATOM 2105 OE2 GLU A 139 15.216 -37.297 -4.332 1.00 34.32 O ATOM 0 H GLU A 139 15.296 -38.248 1.111 1.00 12.03 H new ATOM 0 HA GLU A 139 13.608 -36.552 -0.263 1.00 34.21 H new ATOM 0 HB2 GLU A 139 15.469 -37.890 -1.226 1.00 74.34 H new ATOM 0 HB3 GLU A 139 14.533 -39.355 -1.007 1.00 74.34 H new ATOM 0 HG2 GLU A 139 12.983 -38.777 -2.687 1.00 65.14 H new ATOM 0 HG3 GLU A 139 13.410 -37.078 -2.636 1.00 65.14 H new ATOM 2112 N GLU A 140 12.161 -39.436 0.471 1.00 63.44 N ATOM 2113 CA GLU A 140 10.868 -40.101 0.588 1.00 5.54 C ATOM 2114 C GLU A 140 9.998 -39.415 1.638 1.00 42.34 C ATOM 2115 O GLU A 140 8.774 -39.372 1.514 1.00 70.34 O ATOM 2116 CB GLU A 140 11.059 -41.575 0.952 1.00 14.41 C ATOM 2117 CG GLU A 140 11.454 -42.446 -0.228 1.00 21.52 C ATOM 2118 CD GLU A 140 12.415 -43.553 0.161 1.00 62.12 C ATOM 2119 OE1 GLU A 140 12.351 -44.014 1.320 1.00 50.21 O ATOM 2120 OE2 GLU A 140 13.231 -43.958 -0.693 1.00 62.12 O ATOM 0 H GLU A 140 12.955 -40.000 0.775 1.00 63.44 H new ATOM 0 HA GLU A 140 10.365 -40.035 -0.377 1.00 5.54 H new ATOM 0 HB2 GLU A 140 11.825 -41.654 1.724 1.00 14.41 H new ATOM 0 HB3 GLU A 140 10.133 -41.958 1.382 1.00 14.41 H new ATOM 0 HG2 GLU A 140 10.558 -42.885 -0.667 1.00 21.52 H new ATOM 0 HG3 GLU A 140 11.913 -41.824 -0.996 1.00 21.52 H new ATOM 2127 N PHE A 141 10.639 -38.879 2.671 1.00 22.12 N ATOM 2128 CA PHE A 141 9.925 -38.196 3.743 1.00 33.45 C ATOM 2129 C PHE A 141 9.265 -36.919 3.231 1.00 62.53 C ATOM 2130 O PHE A 141 8.104 -36.643 3.531 1.00 32.15 O ATOM 2131 CB PHE A 141 10.880 -37.865 4.891 1.00 4.44 C ATOM 2132 CG PHE A 141 10.202 -37.231 6.072 1.00 10.30 C ATOM 2133 CD1 PHE A 141 9.912 -35.876 6.076 1.00 11.10 C ATOM 2134 CD2 PHE A 141 9.855 -37.990 7.178 1.00 11.41 C ATOM 2135 CE1 PHE A 141 9.287 -35.289 7.161 1.00 64.33 C ATOM 2136 CE2 PHE A 141 9.230 -37.409 8.265 1.00 11.34 C ATOM 2137 CZ PHE A 141 8.947 -36.057 8.257 1.00 11.22 C ATOM 0 H PHE A 141 11.652 -38.904 2.788 1.00 22.12 H new ATOM 0 HA PHE A 141 9.146 -38.865 4.109 1.00 33.45 H new ATOM 0 HB2 PHE A 141 11.376 -38.780 5.215 1.00 4.44 H new ATOM 0 HB3 PHE A 141 11.657 -37.194 4.525 1.00 4.44 H new ATOM 0 HD1 PHE A 141 10.177 -35.271 5.222 1.00 11.10 H new ATOM 0 HD2 PHE A 141 10.075 -39.047 7.191 1.00 11.41 H new ATOM 0 HE1 PHE A 141 9.065 -34.232 7.151 1.00 64.33 H new ATOM 0 HE2 PHE A 141 8.963 -38.012 9.120 1.00 11.34 H new ATOM 0 HZ PHE A 141 8.461 -35.601 9.107 1.00 11.22 H new ATOM 2147 N VAL A 142 10.015 -36.144 2.455 1.00 44.44 N ATOM 2148 CA VAL A 142 9.505 -34.896 1.899 1.00 11.00 C ATOM 2149 C VAL A 142 8.442 -35.161 0.839 1.00 15.22 C ATOM 2150 O VAL A 142 7.438 -34.453 0.763 1.00 12.24 O ATOM 2151 CB VAL A 142 10.635 -34.055 1.277 1.00 3.52 C ATOM 2152 CG1 VAL A 142 10.081 -32.763 0.695 1.00 64.34 C ATOM 2153 CG2 VAL A 142 11.713 -33.764 2.311 1.00 53.40 C ATOM 0 H VAL A 142 10.978 -36.358 2.197 1.00 44.44 H new ATOM 0 HA VAL A 142 9.061 -34.340 2.725 1.00 11.00 H new ATOM 0 HB VAL A 142 11.086 -34.627 0.466 1.00 3.52 H new ATOM 0 HG11 VAL A 142 10.894 -32.182 0.260 1.00 64.34 H new ATOM 0 HG12 VAL A 142 9.348 -32.997 -0.077 1.00 64.34 H new ATOM 0 HG13 VAL A 142 9.603 -32.184 1.485 1.00 64.34 H new ATOM 0 HG21 VAL A 142 12.504 -33.169 1.854 1.00 53.40 H new ATOM 0 HG22 VAL A 142 11.278 -33.212 3.144 1.00 53.40 H new ATOM 0 HG23 VAL A 142 12.130 -34.703 2.676 1.00 53.40 H new ATOM 2163 N GLN A 143 8.669 -36.185 0.024 1.00 61.25 N ATOM 2164 CA GLN A 143 7.730 -36.543 -1.033 1.00 33.33 C ATOM 2165 C GLN A 143 6.380 -36.945 -0.447 1.00 52.24 C ATOM 2166 O GLN A 143 5.351 -36.352 -0.771 1.00 2.31 O ATOM 2167 CB GLN A 143 8.293 -37.687 -1.879 1.00 14.33 C ATOM 2168 CG GLN A 143 7.497 -37.955 -3.146 1.00 12.22 C ATOM 2169 CD GLN A 143 8.334 -38.593 -4.237 1.00 10.22 C ATOM 2170 OE1 GLN A 143 9.554 -38.705 -4.114 1.00 0.33 O ATOM 2171 NE2 GLN A 143 7.681 -39.016 -5.313 1.00 45.32 N ATOM 0 H GLN A 143 9.495 -36.782 0.075 1.00 61.25 H new ATOM 0 HA GLN A 143 7.585 -35.669 -1.668 1.00 33.33 H new ATOM 0 HB2 GLN A 143 9.323 -37.455 -2.149 1.00 14.33 H new ATOM 0 HB3 GLN A 143 8.318 -38.595 -1.277 1.00 14.33 H new ATOM 0 HG2 GLN A 143 6.656 -38.607 -2.911 1.00 12.22 H new ATOM 0 HG3 GLN A 143 7.081 -37.017 -3.514 1.00 12.22 H new ATOM 0 HE21 GLN A 143 6.669 -38.903 -5.373 1.00 45.32 H new ATOM 0 HE22 GLN A 143 8.191 -39.454 -6.080 1.00 45.32 H new ATOM 2180 N MET A 144 6.391 -37.956 0.415 1.00 5.10 N ATOM 2181 CA MET A 144 5.167 -38.436 1.046 1.00 44.11 C ATOM 2182 C MET A 144 4.459 -37.307 1.788 1.00 5.20 C ATOM 2183 O MET A 144 3.234 -37.298 1.900 1.00 50.02 O ATOM 2184 CB MET A 144 5.481 -39.579 2.013 1.00 60.44 C ATOM 2185 CG MET A 144 4.261 -40.097 2.758 1.00 45.20 C ATOM 2186 SD MET A 144 3.070 -40.899 1.668 1.00 21.41 S ATOM 2187 CE MET A 144 2.006 -41.703 2.864 1.00 72.35 C ATOM 0 H MET A 144 7.234 -38.459 0.693 1.00 5.10 H new ATOM 0 HA MET A 144 4.504 -38.804 0.263 1.00 44.11 H new ATOM 0 HB2 MET A 144 5.933 -40.400 1.457 1.00 60.44 H new ATOM 0 HB3 MET A 144 6.221 -39.239 2.737 1.00 60.44 H new ATOM 0 HG2 MET A 144 4.581 -40.804 3.523 1.00 45.20 H new ATOM 0 HG3 MET A 144 3.776 -39.268 3.273 1.00 45.20 H new ATOM 0 HE1 MET A 144 1.340 -42.396 2.350 1.00 72.35 H new ATOM 0 HE2 MET A 144 2.615 -42.251 3.583 1.00 72.35 H new ATOM 0 HE3 MET A 144 1.414 -40.952 3.388 1.00 72.35 H new ATOM 2197 N MET A 145 5.239 -36.357 2.294 1.00 42.35 N ATOM 2198 CA MET A 145 4.686 -35.223 3.024 1.00 15.42 C ATOM 2199 C MET A 145 4.058 -34.213 2.068 1.00 64.44 C ATOM 2200 O MET A 145 3.028 -33.611 2.372 1.00 43.24 O ATOM 2201 CB MET A 145 5.775 -34.544 3.857 1.00 33.54 C ATOM 2202 CG MET A 145 5.229 -33.667 4.972 1.00 41.50 C ATOM 2203 SD MET A 145 6.245 -33.722 6.460 1.00 4.23 S ATOM 2204 CE MET A 145 6.097 -35.450 6.908 1.00 41.15 C ATOM 0 H MET A 145 6.256 -36.350 2.212 1.00 42.35 H new ATOM 0 HA MET A 145 3.909 -35.598 3.690 1.00 15.42 H new ATOM 0 HB2 MET A 145 6.420 -35.309 4.290 1.00 33.54 H new ATOM 0 HB3 MET A 145 6.398 -33.937 3.200 1.00 33.54 H new ATOM 0 HG2 MET A 145 5.163 -32.638 4.620 1.00 41.50 H new ATOM 0 HG3 MET A 145 4.216 -33.986 5.217 1.00 41.50 H new ATOM 0 HE1 MET A 145 6.337 -35.574 7.964 1.00 41.15 H new ATOM 0 HE2 MET A 145 5.077 -35.787 6.726 1.00 41.15 H new ATOM 0 HE3 MET A 145 6.787 -36.042 6.307 1.00 41.15 H new ATOM 2214 N THR A 146 4.686 -34.033 0.910 1.00 42.13 N ATOM 2215 CA THR A 146 4.191 -33.096 -0.090 1.00 55.24 C ATOM 2216 C THR A 146 3.373 -33.813 -1.159 1.00 24.22 C ATOM 2217 O THR A 146 3.198 -33.304 -2.266 1.00 23.35 O ATOM 2218 CB THR A 146 5.345 -32.335 -0.768 1.00 44.24 C ATOM 2219 OG1 THR A 146 6.372 -32.049 0.188 1.00 22.41 O ATOM 2220 CG2 THR A 146 4.848 -31.038 -1.389 1.00 4.34 C ATOM 0 H THR A 146 5.539 -34.524 0.642 1.00 42.13 H new ATOM 0 HA THR A 146 3.554 -32.383 0.434 1.00 55.24 H new ATOM 0 HB THR A 146 5.751 -32.966 -1.559 1.00 44.24 H new ATOM 0 HG1 THR A 146 6.876 -32.867 0.381 1.00 22.41 H new ATOM 0 HG21 THR A 146 5.681 -30.518 -1.862 1.00 4.34 H new ATOM 0 HG22 THR A 146 4.088 -31.261 -2.138 1.00 4.34 H new ATOM 0 HG23 THR A 146 4.418 -30.404 -0.613 1.00 4.34 H new ATOM 2351 N LYS M 15 -2.571 -43.376 8.866 1.00 41.41 N ATOM 2352 CA LYS M 15 -1.533 -43.199 9.875 1.00 73.41 C ATOM 2353 C LYS M 15 -0.416 -42.301 9.355 1.00 43.10 C ATOM 2354 O LYS M 15 0.026 -41.382 10.045 1.00 54.44 O ATOM 2355 CB LYS M 15 -0.960 -44.557 10.289 1.00 40.32 C ATOM 2356 CG LYS M 15 -0.459 -45.387 9.120 1.00 23.21 C ATOM 2357 CD LYS M 15 -0.520 -46.874 9.426 1.00 73.33 C ATOM 2358 CE LYS M 15 0.870 -47.466 9.599 1.00 42.13 C ATOM 2359 NZ LYS M 15 1.449 -47.912 8.301 1.00 13.20 N ATOM 0 HA LYS M 15 -1.984 -42.721 10.745 1.00 73.41 H new ATOM 0 HB2 LYS M 15 -0.140 -44.398 10.989 1.00 40.32 H new ATOM 0 HB3 LYS M 15 -1.728 -45.119 10.820 1.00 40.32 H new ATOM 0 HG2 LYS M 15 -1.059 -45.172 8.236 1.00 23.21 H new ATOM 0 HG3 LYS M 15 0.567 -45.105 8.885 1.00 23.21 H new ATOM 0 HD2 LYS M 15 -1.101 -47.036 10.334 1.00 73.33 H new ATOM 0 HD3 LYS M 15 -1.039 -47.391 8.619 1.00 73.33 H new ATOM 0 HE2 LYS M 15 1.527 -46.724 10.054 1.00 42.13 H new ATOM 0 HE3 LYS M 15 0.822 -48.312 10.285 1.00 42.13 H new ATOM 0 HZ1 LYS M 15 2.116 -48.692 8.468 1.00 13.20 H new ATOM 0 HZ2 LYS M 15 0.686 -48.238 7.674 1.00 13.20 H new ATOM 0 HZ3 LYS M 15 1.950 -47.118 7.853 1.00 13.20 H new ATOM 2373 N TRP M 16 0.036 -42.572 8.136 1.00 51.11 N ATOM 2374 CA TRP M 16 1.101 -41.786 7.524 1.00 63.15 C ATOM 2375 C TRP M 16 0.713 -40.314 7.440 1.00 30.04 C ATOM 2376 O TRP M 16 1.551 -39.431 7.622 1.00 71.42 O ATOM 2377 CB TRP M 16 1.420 -42.322 6.127 1.00 51.12 C ATOM 2378 CG TRP M 16 2.663 -43.158 6.081 1.00 72.24 C ATOM 2379 CD1 TRP M 16 2.752 -44.475 5.730 1.00 31.24 C ATOM 2380 CD2 TRP M 16 3.993 -42.734 6.397 1.00 21.33 C ATOM 2381 NE1 TRP M 16 4.058 -44.896 5.810 1.00 13.44 N ATOM 2382 CE2 TRP M 16 4.839 -43.846 6.216 1.00 32.24 C ATOM 2383 CE3 TRP M 16 4.553 -41.523 6.814 1.00 34.40 C ATOM 2384 CZ2 TRP M 16 6.212 -43.781 6.439 1.00 14.05 C ATOM 2385 CZ3 TRP M 16 5.915 -41.460 7.035 1.00 22.43 C ATOM 2386 CH2 TRP M 16 6.732 -42.583 6.847 1.00 4.00 C ATOM 0 H TRP M 16 -0.318 -43.330 7.552 1.00 51.11 H new ATOM 0 HA TRP M 16 1.988 -41.873 8.151 1.00 63.15 H new ATOM 0 HB2 TRP M 16 0.578 -42.916 5.773 1.00 51.12 H new ATOM 0 HB3 TRP M 16 1.529 -41.483 5.440 1.00 51.12 H new ATOM 0 HD1 TRP M 16 1.919 -45.095 5.433 1.00 31.24 H new ATOM 0 HE1 TRP M 16 4.392 -45.837 5.601 1.00 13.44 H new ATOM 0 HE3 TRP M 16 3.932 -40.652 6.961 1.00 34.40 H new ATOM 0 HZ2 TRP M 16 6.844 -44.645 6.295 1.00 14.05 H new ATOM 0 HZ3 TRP M 16 6.358 -40.529 7.358 1.00 22.43 H new ATOM 0 HH2 TRP M 16 7.794 -42.501 7.028 1.00 4.00 H new ATOM 2397 N GLU M 17 -0.562 -40.057 7.165 1.00 31.24 N ATOM 2398 CA GLU M 17 -1.059 -38.691 7.058 1.00 14.41 C ATOM 2399 C GLU M 17 -0.858 -37.934 8.368 1.00 43.22 C ATOM 2400 O GLU M 17 -0.824 -36.703 8.389 1.00 61.35 O ATOM 2401 CB GLU M 17 -2.542 -38.692 6.680 1.00 31.13 C ATOM 2402 CG GLU M 17 -3.066 -37.327 6.268 1.00 74.05 C ATOM 2403 CD GLU M 17 -4.552 -37.169 6.529 1.00 62.13 C ATOM 2404 OE1 GLU M 17 -5.035 -37.706 7.548 1.00 45.11 O ATOM 2405 OE2 GLU M 17 -5.231 -36.510 5.715 1.00 51.34 O ATOM 0 H GLU M 17 -1.269 -40.777 7.012 1.00 31.24 H new ATOM 0 HA GLU M 17 -0.492 -38.186 6.276 1.00 14.41 H new ATOM 0 HB2 GLU M 17 -2.699 -39.394 5.861 1.00 31.13 H new ATOM 0 HB3 GLU M 17 -3.124 -39.055 7.527 1.00 31.13 H new ATOM 0 HG2 GLU M 17 -2.521 -36.554 6.810 1.00 74.05 H new ATOM 0 HG3 GLU M 17 -2.869 -37.171 5.207 1.00 74.05 H new ATOM 2412 N LYS M 18 -0.725 -38.679 9.460 1.00 2.41 N ATOM 2413 CA LYS M 18 -0.526 -38.081 10.775 1.00 42.41 C ATOM 2414 C LYS M 18 0.811 -37.348 10.843 1.00 75.31 C ATOM 2415 O LYS M 18 0.984 -36.427 11.642 1.00 71.15 O ATOM 2416 CB LYS M 18 -0.586 -39.156 11.862 1.00 63.54 C ATOM 2417 CG LYS M 18 -0.776 -38.598 13.261 1.00 11.50 C ATOM 2418 CD LYS M 18 -1.508 -39.581 14.159 1.00 2.44 C ATOM 2419 CE LYS M 18 -0.591 -40.702 14.622 1.00 65.55 C ATOM 2420 NZ LYS M 18 0.581 -40.184 15.381 1.00 14.13 N ATOM 0 H LYS M 18 -0.751 -39.699 9.460 1.00 2.41 H new ATOM 0 HA LYS M 18 -1.325 -37.359 10.943 1.00 42.41 H new ATOM 0 HB2 LYS M 18 -1.404 -39.841 11.639 1.00 63.54 H new ATOM 0 HB3 LYS M 18 0.334 -39.740 11.835 1.00 63.54 H new ATOM 0 HG2 LYS M 18 0.196 -38.362 13.695 1.00 11.50 H new ATOM 0 HG3 LYS M 18 -1.337 -37.665 13.208 1.00 11.50 H new ATOM 0 HD2 LYS M 18 -1.908 -39.055 15.026 1.00 2.44 H new ATOM 0 HD3 LYS M 18 -2.358 -40.003 13.622 1.00 2.44 H new ATOM 0 HE2 LYS M 18 -1.152 -41.394 15.249 1.00 65.55 H new ATOM 0 HE3 LYS M 18 -0.243 -41.266 13.757 1.00 65.55 H new ATOM 0 HZ1 LYS M 18 1.458 -40.459 14.895 1.00 14.13 H new ATOM 0 HZ2 LYS M 18 0.527 -39.147 15.437 1.00 14.13 H new ATOM 0 HZ3 LYS M 18 0.577 -40.584 16.341 1.00 14.13 H new ATOM 2434 N ILE M 19 1.751 -37.762 10.000 1.00 34.52 N ATOM 2435 CA ILE M 19 3.070 -37.144 9.964 1.00 53.52 C ATOM 2436 C ILE M 19 3.156 -36.098 8.857 1.00 62.31 C ATOM 2437 O ILE M 19 3.984 -35.189 8.911 1.00 0.34 O ATOM 2438 CB ILE M 19 4.178 -38.192 9.752 1.00 11.01 C ATOM 2439 CG1 ILE M 19 4.001 -39.357 10.728 1.00 3.24 C ATOM 2440 CG2 ILE M 19 5.549 -37.555 9.922 1.00 40.15 C ATOM 2441 CD1 ILE M 19 5.009 -40.467 10.533 1.00 65.43 C ATOM 0 H ILE M 19 1.623 -38.523 9.333 1.00 34.52 H new ATOM 0 HA ILE M 19 3.219 -36.661 10.930 1.00 53.52 H new ATOM 0 HB ILE M 19 4.102 -38.579 8.736 1.00 11.01 H new ATOM 0 HG12 ILE M 19 4.080 -38.981 11.748 1.00 3.24 H new ATOM 0 HG13 ILE M 19 2.997 -39.765 10.615 1.00 3.24 H new ATOM 0 HG21 ILE M 19 6.322 -38.308 9.769 1.00 40.15 H new ATOM 0 HG22 ILE M 19 5.672 -36.756 9.191 1.00 40.15 H new ATOM 0 HG23 ILE M 19 5.637 -37.144 10.928 1.00 40.15 H new ATOM 0 HD11 ILE M 19 4.823 -41.259 11.259 1.00 65.43 H new ATOM 0 HD12 ILE M 19 4.916 -40.870 9.525 1.00 65.43 H new ATOM 0 HD13 ILE M 19 6.016 -40.073 10.675 1.00 65.43 H new ATOM 2453 N ARG M 20 2.295 -36.234 7.854 1.00 13.20 N ATOM 2454 CA ARG M 20 2.273 -35.301 6.734 1.00 1.30 C ATOM 2455 C ARG M 20 2.168 -33.861 7.228 1.00 44.20 C ATOM 2456 O ARG M 20 2.754 -32.948 6.643 1.00 31.32 O ATOM 2457 CB ARG M 20 1.103 -35.618 5.801 1.00 12.51 C ATOM 2458 CG ARG M 20 0.927 -34.607 4.680 1.00 41.24 C ATOM 2459 CD ARG M 20 0.167 -35.204 3.506 1.00 53.22 C ATOM 2460 NE ARG M 20 -1.270 -35.271 3.761 1.00 24.24 N ATOM 2461 CZ ARG M 20 -2.070 -34.211 3.744 1.00 3.11 C ATOM 2462 NH1 ARG M 20 -1.576 -33.008 3.484 1.00 32.12 N ATOM 2463 NH2 ARG M 20 -3.366 -34.353 3.987 1.00 55.24 N ATOM 0 H ARG M 20 1.603 -36.981 7.794 1.00 13.20 H new ATOM 0 HA ARG M 20 3.207 -35.411 6.184 1.00 1.30 H new ATOM 0 HB2 ARG M 20 1.253 -36.607 5.367 1.00 12.51 H new ATOM 0 HB3 ARG M 20 0.184 -35.663 6.386 1.00 12.51 H new ATOM 0 HG2 ARG M 20 0.392 -33.735 5.056 1.00 41.24 H new ATOM 0 HG3 ARG M 20 1.904 -34.261 4.344 1.00 41.24 H new ATOM 0 HD2 ARG M 20 0.349 -34.605 2.614 1.00 53.22 H new ATOM 0 HD3 ARG M 20 0.546 -36.205 3.300 1.00 53.22 H new ATOM 0 HE ARG M 20 -1.682 -36.182 3.963 1.00 24.24 H new ATOM 0 HH11 ARG M 20 -0.580 -32.895 3.297 1.00 32.12 H new ATOM 0 HH12 ARG M 20 -2.192 -32.195 3.471 1.00 32.12 H new ATOM 0 HH21 ARG M 20 -3.749 -35.277 4.187 1.00 55.24 H new ATOM 0 HH22 ARG M 20 -3.980 -33.538 3.974 1.00 55.24 H new ATOM 2630 N LYS M 30 18.448 -20.349 7.259 1.00 5.32 N ATOM 2631 CA LYS M 30 19.627 -21.208 7.274 1.00 13.54 C ATOM 2632 C LYS M 30 20.905 -20.378 7.213 1.00 24.11 C ATOM 2633 O LYS M 30 21.943 -20.851 6.747 1.00 74.25 O ATOM 2634 CB LYS M 30 19.585 -22.187 6.099 1.00 15.31 C ATOM 2635 CG LYS M 30 20.036 -23.591 6.461 1.00 34.21 C ATOM 2636 CD LYS M 30 21.443 -23.871 5.962 1.00 4.42 C ATOM 2637 CE LYS M 30 21.440 -24.867 4.813 1.00 50.33 C ATOM 2638 NZ LYS M 30 20.922 -24.261 3.555 1.00 13.41 N ATOM 0 HA LYS M 30 19.624 -21.771 8.208 1.00 13.54 H new ATOM 0 HB2 LYS M 30 18.568 -22.230 5.709 1.00 15.31 H new ATOM 0 HB3 LYS M 30 20.218 -21.807 5.297 1.00 15.31 H new ATOM 0 HG2 LYS M 30 20.001 -23.718 7.543 1.00 34.21 H new ATOM 0 HG3 LYS M 30 19.346 -24.318 6.032 1.00 34.21 H new ATOM 0 HD2 LYS M 30 21.906 -22.940 5.636 1.00 4.42 H new ATOM 0 HD3 LYS M 30 22.049 -24.260 6.780 1.00 4.42 H new ATOM 0 HE2 LYS M 30 22.453 -25.235 4.649 1.00 50.33 H new ATOM 0 HE3 LYS M 30 20.828 -25.728 5.080 1.00 50.33 H new ATOM 0 HZ1 LYS M 30 21.539 -24.527 2.762 1.00 13.41 H new ATOM 0 HZ2 LYS M 30 19.958 -24.607 3.374 1.00 13.41 H new ATOM 0 HZ3 LYS M 30 20.906 -23.225 3.649 1.00 13.41 H new ATOM 2652 N LEU M 31 20.825 -19.140 7.688 1.00 63.11 N ATOM 2653 CA LEU M 31 21.977 -18.245 7.689 1.00 41.15 C ATOM 2654 C LEU M 31 21.813 -17.147 8.735 1.00 62.31 C ATOM 2655 O LEU M 31 22.711 -16.903 9.541 1.00 65.22 O ATOM 2656 CB LEU M 31 22.164 -17.622 6.304 1.00 3.42 C ATOM 2657 CG LEU M 31 23.072 -16.393 6.238 1.00 23.14 C ATOM 2658 CD1 LEU M 31 24.425 -16.695 6.864 1.00 63.25 C ATOM 2659 CD2 LEU M 31 23.239 -15.930 4.798 1.00 5.15 C ATOM 0 H LEU M 31 19.975 -18.733 8.077 1.00 63.11 H new ATOM 0 HA LEU M 31 22.861 -18.831 7.940 1.00 41.15 H new ATOM 0 HB2 LEU M 31 22.568 -18.383 5.637 1.00 3.42 H new ATOM 0 HB3 LEU M 31 21.183 -17.346 5.916 1.00 3.42 H new ATOM 0 HG LEU M 31 22.604 -15.588 6.805 1.00 23.14 H new ATOM 0 HD11 LEU M 31 25.058 -15.809 6.808 1.00 63.25 H new ATOM 0 HD12 LEU M 31 24.288 -16.978 7.908 1.00 63.25 H new ATOM 0 HD13 LEU M 31 24.900 -17.515 6.325 1.00 63.25 H new ATOM 0 HD21 LEU M 31 23.888 -15.055 4.770 1.00 5.15 H new ATOM 0 HD22 LEU M 31 23.684 -16.731 4.208 1.00 5.15 H new ATOM 0 HD23 LEU M 31 22.264 -15.672 4.383 1.00 5.15 H new ATOM 2671 N LYS M 32 20.659 -16.489 8.719 1.00 61.05 N ATOM 2672 CA LYS M 32 20.374 -15.419 9.668 1.00 62.45 C ATOM 2673 C LYS M 32 20.634 -15.878 11.099 1.00 70.42 C ATOM 2674 O LYS M 32 21.094 -15.102 11.937 1.00 43.15 O ATOM 2675 CB LYS M 32 18.923 -14.956 9.525 1.00 73.13 C ATOM 2676 CG LYS M 32 17.906 -16.005 9.939 1.00 33.42 C ATOM 2677 CD LYS M 32 17.444 -15.799 11.372 1.00 12.00 C ATOM 2678 CE LYS M 32 16.284 -14.818 11.448 1.00 51.02 C ATOM 2679 NZ LYS M 32 16.105 -14.276 12.823 1.00 10.21 N ATOM 0 H LYS M 32 19.905 -16.678 8.059 1.00 61.05 H new ATOM 0 HA LYS M 32 21.039 -14.584 9.447 1.00 62.45 H new ATOM 0 HB2 LYS M 32 18.775 -14.061 10.129 1.00 73.13 H new ATOM 0 HB3 LYS M 32 18.741 -14.675 8.488 1.00 73.13 H new ATOM 0 HG2 LYS M 32 17.047 -15.964 9.269 1.00 33.42 H new ATOM 0 HG3 LYS M 32 18.344 -16.998 9.836 1.00 33.42 H new ATOM 0 HD2 LYS M 32 17.142 -16.755 11.799 1.00 12.00 H new ATOM 0 HD3 LYS M 32 18.274 -15.429 11.974 1.00 12.00 H new ATOM 0 HE2 LYS M 32 16.457 -13.996 10.753 1.00 51.02 H new ATOM 0 HE3 LYS M 32 15.367 -15.315 11.131 1.00 51.02 H new ATOM 0 HZ1 LYS M 32 15.305 -13.612 12.833 1.00 10.21 H new ATOM 0 HZ2 LYS M 32 15.914 -15.058 13.482 1.00 10.21 H new ATOM 0 HZ3 LYS M 32 16.971 -13.780 13.116 1.00 10.21 H new ATOM 2693 N HIS M 33 20.337 -17.145 11.372 1.00 4.04 N ATOM 2694 CA HIS M 33 20.541 -17.708 12.703 1.00 42.35 C ATOM 2695 C HIS M 33 21.955 -17.426 13.201 1.00 44.22 C ATOM 2696 O HIS M 33 22.163 -17.143 14.381 1.00 12.12 O ATOM 2697 CB HIS M 33 20.285 -19.215 12.686 1.00 14.15 C ATOM 2698 CG HIS M 33 20.605 -19.891 13.984 1.00 11.10 C ATOM 2699 ND1 HIS M 33 21.411 -21.006 14.073 1.00 43.12 N ATOM 2700 CD2 HIS M 33 20.224 -19.602 15.250 1.00 34.43 C ATOM 2701 CE1 HIS M 33 21.511 -21.375 15.337 1.00 12.03 C ATOM 2702 NE2 HIS M 33 20.800 -20.539 16.072 1.00 33.35 N ATOM 0 H HIS M 33 19.955 -17.801 10.690 1.00 4.04 H new ATOM 0 HA HIS M 33 19.834 -17.234 13.384 1.00 42.35 H new ATOM 0 HB2 HIS M 33 19.238 -19.395 12.440 1.00 14.15 H new ATOM 0 HB3 HIS M 33 20.881 -19.668 11.893 1.00 14.15 H new ATOM 0 HD2 HIS M 33 19.586 -18.786 15.557 1.00 34.43 H new ATOM 0 HE1 HIS M 33 22.078 -22.217 15.707 1.00 12.03 H new ATOM 0 HE2 HIS M 33 20.696 -20.582 17.086 1.00 33.35 H new ATOM 2710 N ILE M 34 22.924 -17.506 12.295 1.00 53.24 N ATOM 2711 CA ILE M 34 24.317 -17.259 12.643 1.00 45.13 C ATOM 2712 C ILE M 34 24.469 -15.949 13.408 1.00 41.40 C ATOM 2713 O ILE M 34 25.259 -15.854 14.347 1.00 1.44 O ATOM 2714 CB ILE M 34 25.212 -17.215 11.389 1.00 15.25 C ATOM 2715 CG1 ILE M 34 25.125 -18.539 10.628 1.00 51.13 C ATOM 2716 CG2 ILE M 34 26.652 -16.913 11.777 1.00 74.45 C ATOM 2717 CD1 ILE M 34 25.554 -19.736 11.446 1.00 34.35 C ATOM 0 H ILE M 34 22.769 -17.740 11.314 1.00 53.24 H new ATOM 0 HA ILE M 34 24.635 -18.086 13.277 1.00 45.13 H new ATOM 0 HB ILE M 34 24.858 -16.418 10.735 1.00 15.25 H new ATOM 0 HG12 ILE M 34 24.099 -18.688 10.291 1.00 51.13 H new ATOM 0 HG13 ILE M 34 25.748 -18.477 9.735 1.00 51.13 H new ATOM 0 HG21 ILE M 34 27.272 -16.885 10.881 1.00 74.45 H new ATOM 0 HG22 ILE M 34 26.698 -15.947 12.280 1.00 74.45 H new ATOM 0 HG23 ILE M 34 27.019 -17.690 12.448 1.00 74.45 H new ATOM 0 HD11 ILE M 34 25.466 -20.639 10.843 1.00 34.35 H new ATOM 0 HD12 ILE M 34 26.590 -19.609 11.761 1.00 34.35 H new ATOM 0 HD13 ILE M 34 24.916 -19.824 12.325 1.00 34.35 H new ATOM 2729 N VAL M 35 23.705 -14.940 13.001 1.00 42.13 N ATOM 2730 CA VAL M 35 23.752 -13.635 13.650 1.00 70.15 C ATOM 2731 C VAL M 35 23.618 -13.768 15.162 1.00 25.53 C ATOM 2732 O VAL M 35 24.297 -13.074 15.919 1.00 25.40 O ATOM 2733 CB VAL M 35 22.639 -12.708 13.127 1.00 74.03 C ATOM 2734 CG1 VAL M 35 22.774 -11.318 13.729 1.00 45.22 C ATOM 2735 CG2 VAL M 35 22.668 -12.645 11.607 1.00 21.21 C ATOM 0 H VAL M 35 23.046 -15.001 12.225 1.00 42.13 H new ATOM 0 HA VAL M 35 24.721 -13.198 13.411 1.00 70.15 H new ATOM 0 HB VAL M 35 21.676 -13.118 13.432 1.00 74.03 H new ATOM 0 HG11 VAL M 35 21.979 -10.677 13.348 1.00 45.22 H new ATOM 0 HG12 VAL M 35 22.699 -11.383 14.814 1.00 45.22 H new ATOM 0 HG13 VAL M 35 23.742 -10.896 13.457 1.00 45.22 H new ATOM 0 HG21 VAL M 35 21.875 -11.986 11.255 1.00 21.21 H new ATOM 0 HG22 VAL M 35 23.633 -12.260 11.277 1.00 21.21 H new ATOM 0 HG23 VAL M 35 22.517 -13.644 11.198 1.00 21.21 H new ATOM 2745 N TRP M 36 22.740 -14.665 15.596 1.00 12.21 N ATOM 2746 CA TRP M 36 22.517 -14.890 17.020 1.00 43.11 C ATOM 2747 C TRP M 36 23.804 -15.331 17.709 1.00 41.41 C ATOM 2748 O TRP M 36 24.066 -14.957 18.852 1.00 45.35 O ATOM 2749 CB TRP M 36 21.427 -15.943 17.227 1.00 41.44 C ATOM 2750 CG TRP M 36 20.049 -15.438 16.923 1.00 12.24 C ATOM 2751 CD1 TRP M 36 19.715 -14.434 16.059 1.00 22.40 C ATOM 2752 CD2 TRP M 36 18.820 -15.911 17.485 1.00 30.40 C ATOM 2753 NE1 TRP M 36 18.353 -14.256 16.049 1.00 12.25 N ATOM 2754 CE2 TRP M 36 17.781 -15.150 16.915 1.00 32.10 C ATOM 2755 CE3 TRP M 36 18.496 -16.906 18.412 1.00 0.40 C ATOM 2756 CZ2 TRP M 36 16.443 -15.353 17.244 1.00 2.11 C ATOM 2757 CZ3 TRP M 36 17.168 -17.105 18.738 1.00 61.42 C ATOM 2758 CH2 TRP M 36 16.155 -16.333 18.155 1.00 52.14 C ATOM 0 H TRP M 36 22.171 -15.248 14.983 1.00 12.21 H new ATOM 0 HA TRP M 36 22.192 -13.949 17.464 1.00 43.11 H new ATOM 0 HB2 TRP M 36 21.639 -16.804 16.593 1.00 41.44 H new ATOM 0 HB3 TRP M 36 21.459 -16.291 18.259 1.00 41.44 H new ATOM 0 HD1 TRP M 36 20.418 -13.864 15.470 1.00 22.40 H new ATOM 0 HE1 TRP M 36 17.849 -13.569 15.488 1.00 12.25 H new ATOM 0 HE3 TRP M 36 19.270 -17.508 18.865 1.00 0.40 H new ATOM 0 HZ2 TRP M 36 15.661 -14.758 16.796 1.00 2.11 H new ATOM 0 HZ3 TRP M 36 16.907 -17.869 19.455 1.00 61.42 H new ATOM 0 HH2 TRP M 36 15.126 -16.515 18.430 1.00 52.14 H new ATOM 2769 N ALA M 37 24.603 -16.127 17.007 1.00 63.23 N ATOM 2770 CA ALA M 37 25.864 -16.617 17.551 1.00 52.41 C ATOM 2771 C ALA M 37 26.829 -15.467 17.820 1.00 50.04 C ATOM 2772 O ALA M 37 27.787 -15.613 18.578 1.00 3.12 O ATOM 2773 CB ALA M 37 26.493 -17.625 16.601 1.00 74.20 C ATOM 0 H ALA M 37 24.400 -16.447 16.060 1.00 63.23 H new ATOM 0 HA ALA M 37 25.654 -17.111 18.500 1.00 52.41 H new ATOM 0 HB1 ALA M 37 27.434 -17.982 17.020 1.00 74.20 H new ATOM 0 HB2 ALA M 37 25.815 -18.467 16.462 1.00 74.20 H new ATOM 0 HB3 ALA M 37 26.682 -17.149 15.639 1.00 74.20 H new ATOM 2779 N SER M 38 26.570 -14.324 17.192 1.00 22.21 N ATOM 2780 CA SER M 38 27.419 -13.151 17.360 1.00 1.52 C ATOM 2781 C SER M 38 27.201 -12.514 18.730 1.00 62.14 C ATOM 2782 O SER M 38 28.027 -11.732 19.201 1.00 30.33 O ATOM 2783 CB SER M 38 27.135 -12.127 16.259 1.00 70.43 C ATOM 2784 OG SER M 38 28.336 -11.693 15.644 1.00 74.31 O ATOM 0 H SER M 38 25.779 -14.186 16.563 1.00 22.21 H new ATOM 0 HA SER M 38 28.458 -13.472 17.288 1.00 1.52 H new ATOM 0 HB2 SER M 38 26.477 -12.567 15.509 1.00 70.43 H new ATOM 0 HB3 SER M 38 26.609 -11.271 16.681 1.00 70.43 H new ATOM 0 HG SER M 38 28.197 -11.610 14.677 1.00 74.31 H new ATOM 2790 N ARG M 39 26.083 -12.855 19.362 1.00 25.24 N ATOM 2791 CA ARG M 39 25.755 -12.317 20.677 1.00 42.00 C ATOM 2792 C ARG M 39 26.885 -12.578 21.669 1.00 33.30 C ATOM 2793 O ARG M 39 27.055 -11.840 22.638 1.00 1.52 O ATOM 2794 CB ARG M 39 24.455 -12.935 21.194 1.00 13.42 C ATOM 2795 CG ARG M 39 23.727 -12.064 22.206 1.00 24.41 C ATOM 2796 CD ARG M 39 22.782 -12.885 23.070 1.00 64.23 C ATOM 2797 NE ARG M 39 22.439 -12.198 24.311 1.00 0.45 N ATOM 2798 CZ ARG M 39 21.850 -12.793 25.343 1.00 40.14 C ATOM 2799 NH1 ARG M 39 21.541 -14.081 25.281 1.00 40.22 N ATOM 2800 NH2 ARG M 39 21.569 -12.100 26.439 1.00 44.23 N ATOM 0 H ARG M 39 25.389 -13.501 18.985 1.00 25.24 H new ATOM 0 HA ARG M 39 25.623 -11.239 20.579 1.00 42.00 H new ATOM 0 HB2 ARG M 39 23.793 -13.127 20.350 1.00 13.42 H new ATOM 0 HB3 ARG M 39 24.677 -13.899 21.651 1.00 13.42 H new ATOM 0 HG2 ARG M 39 24.454 -11.557 22.840 1.00 24.41 H new ATOM 0 HG3 ARG M 39 23.165 -11.290 21.684 1.00 24.41 H new ATOM 0 HD2 ARG M 39 21.871 -13.098 22.510 1.00 64.23 H new ATOM 0 HD3 ARG M 39 23.245 -13.844 23.303 1.00 64.23 H new ATOM 0 HE ARG M 39 22.664 -11.206 24.391 1.00 0.45 H new ATOM 0 HH11 ARG M 39 21.755 -14.617 24.440 1.00 40.22 H new ATOM 0 HH12 ARG M 39 21.089 -14.536 26.074 1.00 40.22 H new ATOM 0 HH21 ARG M 39 21.805 -11.109 26.490 1.00 44.23 H new ATOM 0 HH22 ARG M 39 21.117 -12.558 27.230 1.00 44.23 H new ATOM 2814 N GLU M 40 27.652 -13.634 21.419 1.00 24.52 N ATOM 2815 CA GLU M 40 28.764 -13.993 22.292 1.00 64.24 C ATOM 2816 C GLU M 40 30.020 -13.207 21.924 1.00 33.14 C ATOM 2817 O GLU M 40 30.839 -12.885 22.786 1.00 32.12 O ATOM 2818 CB GLU M 40 29.046 -15.495 22.205 1.00 50.34 C ATOM 2819 CG GLU M 40 29.741 -15.910 20.919 1.00 60.11 C ATOM 2820 CD GLU M 40 29.350 -17.304 20.468 1.00 31.24 C ATOM 2821 OE1 GLU M 40 28.142 -17.618 20.491 1.00 74.35 O ATOM 2822 OE2 GLU M 40 30.253 -18.081 20.093 1.00 21.04 O ATOM 0 H GLU M 40 27.524 -14.255 20.620 1.00 24.52 H new ATOM 0 HA GLU M 40 28.485 -13.742 23.315 1.00 64.24 H new ATOM 0 HB2 GLU M 40 29.664 -15.790 23.053 1.00 50.34 H new ATOM 0 HB3 GLU M 40 28.105 -16.038 22.291 1.00 50.34 H new ATOM 0 HG2 GLU M 40 29.498 -15.196 20.132 1.00 60.11 H new ATOM 0 HG3 GLU M 40 30.820 -15.869 21.064 1.00 60.11 H new ATOM 2829 N LEU M 41 30.164 -12.902 20.640 1.00 44.33 N ATOM 2830 CA LEU M 41 31.320 -12.154 20.157 1.00 51.44 C ATOM 2831 C LEU M 41 31.207 -10.678 20.526 1.00 35.01 C ATOM 2832 O LEU M 41 30.187 -10.238 21.056 1.00 73.15 O ATOM 2833 CB LEU M 41 31.451 -12.303 18.640 1.00 51.42 C ATOM 2834 CG LEU M 41 32.347 -13.442 18.152 1.00 12.22 C ATOM 2835 CD1 LEU M 41 32.343 -13.511 16.633 1.00 34.40 C ATOM 2836 CD2 LEU M 41 33.765 -13.267 18.676 1.00 52.40 C ATOM 0 H LEU M 41 29.496 -13.161 19.914 1.00 44.33 H new ATOM 0 HA LEU M 41 32.211 -12.562 20.635 1.00 51.44 H new ATOM 0 HB2 LEU M 41 30.455 -12.447 18.222 1.00 51.42 H new ATOM 0 HB3 LEU M 41 31.835 -11.367 18.235 1.00 51.42 H new ATOM 0 HG LEU M 41 31.951 -14.381 18.539 1.00 12.22 H new ATOM 0 HD11 LEU M 41 32.986 -14.327 16.304 1.00 34.40 H new ATOM 0 HD12 LEU M 41 31.327 -13.685 16.279 1.00 34.40 H new ATOM 0 HD13 LEU M 41 32.713 -12.571 16.225 1.00 34.40 H new ATOM 0 HD21 LEU M 41 34.389 -14.087 18.319 1.00 52.40 H new ATOM 0 HD22 LEU M 41 34.171 -12.320 18.319 1.00 52.40 H new ATOM 0 HD23 LEU M 41 33.753 -13.269 19.766 1.00 52.40 H new