USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 513 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 21 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 68 MET CE :methyl -130:sc= -2.73! (180deg=-8.34!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -141:sc= 0 (180deg=0) USER MOD Set 2.2: A 64 HIS : no HE2:sc= -2.11 X(o=-2.1,f=-1.7) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -112:sc= -3.78! (180deg=-6.11!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0383 (180deg=-0.329) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.37) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 51 TYR OH : rot 126:sc= -1.61 USER MOD Single : A 52 GLN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.08 X(o=-0.08,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 8.334 7.670 -0.139 1.00 60.31 N ATOM 70 CA GLU A 6 9.145 8.697 0.503 1.00 2.12 C ATOM 71 C GLU A 6 9.842 9.569 -0.537 1.00 50.51 C ATOM 72 O GLU A 6 10.310 9.076 -1.563 1.00 10.51 O ATOM 73 CB GLU A 6 10.184 8.056 1.425 1.00 22.42 C ATOM 74 CG GLU A 6 11.068 7.035 0.729 1.00 62.31 C ATOM 75 CD GLU A 6 11.916 6.237 1.701 1.00 13.10 C ATOM 76 OE1 GLU A 6 12.130 6.717 2.834 1.00 61.42 O ATOM 77 OE2 GLU A 6 12.364 5.133 1.328 1.00 22.33 O ATOM 0 HA GLU A 6 8.483 9.328 1.096 1.00 2.12 H new ATOM 0 HB2 GLU A 6 10.813 8.839 1.850 1.00 22.42 H new ATOM 0 HB3 GLU A 6 9.671 7.573 2.256 1.00 22.42 H new ATOM 0 HG2 GLU A 6 10.444 6.352 0.153 1.00 62.31 H new ATOM 0 HG3 GLU A 6 11.719 7.547 0.020 1.00 62.31 H new ATOM 84 N ALA A 7 9.906 10.869 -0.264 1.00 71.43 N ATOM 85 CA ALA A 7 10.546 11.810 -1.175 1.00 21.22 C ATOM 86 C ALA A 7 11.607 12.635 -0.455 1.00 1.04 C ATOM 87 O ALA A 7 11.504 12.885 0.746 1.00 1.05 O ATOM 88 CB ALA A 7 9.506 12.722 -1.809 1.00 32.54 C ATOM 0 H ALA A 7 9.522 11.294 0.580 1.00 71.43 H new ATOM 0 HA ALA A 7 11.039 11.238 -1.961 1.00 21.22 H new ATOM 0 HB1 ALA A 7 9.998 13.419 -2.487 1.00 32.54 H new ATOM 0 HB2 ALA A 7 8.787 12.122 -2.366 1.00 32.54 H new ATOM 0 HB3 ALA A 7 8.987 13.279 -1.029 1.00 32.54 H new ATOM 94 N VAL A 8 12.627 13.055 -1.196 1.00 3.32 N ATOM 95 CA VAL A 8 13.708 13.853 -0.628 1.00 34.12 C ATOM 96 C VAL A 8 13.838 15.191 -1.346 1.00 5.43 C ATOM 97 O VAL A 8 13.697 15.270 -2.566 1.00 54.20 O ATOM 98 CB VAL A 8 15.054 13.109 -0.703 1.00 20.32 C ATOM 99 CG1 VAL A 8 16.121 13.854 0.085 1.00 52.02 C ATOM 100 CG2 VAL A 8 14.903 11.683 -0.195 1.00 22.23 C ATOM 0 H VAL A 8 12.728 12.856 -2.191 1.00 3.32 H new ATOM 0 HA VAL A 8 13.457 14.028 0.418 1.00 34.12 H new ATOM 0 HB VAL A 8 15.369 13.068 -1.746 1.00 20.32 H new ATOM 0 HG11 VAL A 8 17.065 13.313 0.020 1.00 52.02 H new ATOM 0 HG12 VAL A 8 16.247 14.854 -0.329 1.00 52.02 H new ATOM 0 HG13 VAL A 8 15.817 13.929 1.129 1.00 52.02 H new ATOM 0 HG21 VAL A 8 15.864 11.172 -0.255 1.00 22.23 H new ATOM 0 HG22 VAL A 8 14.565 11.700 0.841 1.00 22.23 H new ATOM 0 HG23 VAL A 8 14.172 11.154 -0.807 1.00 22.23 H new ATOM 110 N VAL A 9 14.111 16.243 -0.580 1.00 14.31 N ATOM 111 CA VAL A 9 14.263 17.580 -1.143 1.00 33.24 C ATOM 112 C VAL A 9 15.621 18.174 -0.788 1.00 11.34 C ATOM 113 O VAL A 9 16.051 18.124 0.365 1.00 65.53 O ATOM 114 CB VAL A 9 13.154 18.527 -0.646 1.00 43.14 C ATOM 115 CG1 VAL A 9 13.250 18.719 0.859 1.00 4.25 C ATOM 116 CG2 VAL A 9 13.233 19.864 -1.369 1.00 24.43 C ATOM 0 H VAL A 9 14.231 16.195 0.432 1.00 14.31 H new ATOM 0 HA VAL A 9 14.186 17.479 -2.226 1.00 33.24 H new ATOM 0 HB VAL A 9 12.187 18.075 -0.869 1.00 43.14 H new ATOM 0 HG11 VAL A 9 12.459 19.391 1.191 1.00 4.25 H new ATOM 0 HG12 VAL A 9 13.141 17.755 1.356 1.00 4.25 H new ATOM 0 HG13 VAL A 9 14.220 19.149 1.110 1.00 4.25 H new ATOM 0 HG21 VAL A 9 12.443 20.521 -1.006 1.00 24.43 H new ATOM 0 HG22 VAL A 9 14.203 20.324 -1.179 1.00 24.43 H new ATOM 0 HG23 VAL A 9 13.110 19.706 -2.440 1.00 24.43 H new ATOM 126 N LYS A 10 16.292 18.739 -1.785 1.00 64.14 N ATOM 127 CA LYS A 10 17.602 19.346 -1.580 1.00 21.10 C ATOM 128 C LYS A 10 17.523 20.865 -1.699 1.00 33.51 C ATOM 129 O LYS A 10 16.889 21.394 -2.613 1.00 73.50 O ATOM 130 CB LYS A 10 18.607 18.796 -2.595 1.00 52.10 C ATOM 131 CG LYS A 10 18.136 18.901 -4.035 1.00 53.12 C ATOM 132 CD LYS A 10 17.458 17.621 -4.495 1.00 13.32 C ATOM 133 CE LYS A 10 18.473 16.590 -4.965 1.00 14.55 C ATOM 134 NZ LYS A 10 17.820 15.315 -5.370 1.00 64.41 N ATOM 0 H LYS A 10 15.950 18.789 -2.745 1.00 64.14 H new ATOM 0 HA LYS A 10 17.937 19.095 -0.574 1.00 21.10 H new ATOM 0 HB2 LYS A 10 19.549 19.334 -2.489 1.00 52.10 H new ATOM 0 HB3 LYS A 10 18.810 17.750 -2.363 1.00 52.10 H new ATOM 0 HG2 LYS A 10 17.442 19.736 -4.132 1.00 53.12 H new ATOM 0 HG3 LYS A 10 18.986 19.116 -4.682 1.00 53.12 H new ATOM 0 HD2 LYS A 10 16.869 17.206 -3.677 1.00 13.32 H new ATOM 0 HD3 LYS A 10 16.765 17.846 -5.305 1.00 13.32 H new ATOM 0 HE2 LYS A 10 19.037 16.993 -5.806 1.00 14.55 H new ATOM 0 HE3 LYS A 10 19.188 16.394 -4.166 1.00 14.55 H new ATOM 0 HZ1 LYS A 10 18.545 14.638 -5.684 1.00 64.41 H new ATOM 0 HZ2 LYS A 10 17.303 14.917 -4.560 1.00 64.41 H new ATOM 0 HZ3 LYS A 10 17.156 15.497 -6.149 1.00 64.41 H new ATOM 148 N LEU A 11 18.170 21.561 -0.771 1.00 64.43 N ATOM 149 CA LEU A 11 18.174 23.019 -0.773 1.00 44.41 C ATOM 150 C LEU A 11 19.601 23.560 -0.782 1.00 14.12 C ATOM 151 O LEU A 11 20.510 22.950 -0.219 1.00 73.32 O ATOM 152 CB LEU A 11 17.422 23.553 0.447 1.00 21.34 C ATOM 153 CG LEU A 11 15.943 23.176 0.541 1.00 10.34 C ATOM 154 CD1 LEU A 11 15.783 21.782 1.128 1.00 1.40 C ATOM 155 CD2 LEU A 11 15.185 24.198 1.376 1.00 54.33 C ATOM 0 H LEU A 11 18.699 21.139 -0.008 1.00 64.43 H new ATOM 0 HA LEU A 11 17.671 23.357 -1.679 1.00 44.41 H new ATOM 0 HB2 LEU A 11 17.926 23.195 1.345 1.00 21.34 H new ATOM 0 HB3 LEU A 11 17.500 24.640 0.450 1.00 21.34 H new ATOM 0 HG LEU A 11 15.524 23.174 -0.465 1.00 10.34 H new ATOM 0 HD11 LEU A 11 14.724 21.531 1.187 1.00 1.40 H new ATOM 0 HD12 LEU A 11 16.292 21.058 0.491 1.00 1.40 H new ATOM 0 HD13 LEU A 11 16.218 21.756 2.127 1.00 1.40 H new ATOM 0 HD21 LEU A 11 14.134 23.914 1.432 1.00 54.33 H new ATOM 0 HD22 LEU A 11 15.606 24.231 2.381 1.00 54.33 H new ATOM 0 HD23 LEU A 11 15.271 25.181 0.914 1.00 54.33 H new ATOM 167 N ARG A 12 19.788 24.710 -1.422 1.00 24.51 N ATOM 168 CA ARG A 12 21.104 25.333 -1.503 1.00 13.03 C ATOM 169 C ARG A 12 21.330 26.279 -0.327 1.00 51.43 C ATOM 170 O ARG A 12 20.596 27.251 -0.149 1.00 13.41 O ATOM 171 CB ARG A 12 21.250 26.096 -2.821 1.00 21.43 C ATOM 172 CG ARG A 12 22.609 25.919 -3.479 1.00 74.10 C ATOM 173 CD ARG A 12 22.594 26.394 -4.924 1.00 33.34 C ATOM 174 NE ARG A 12 22.517 27.849 -5.021 1.00 32.13 N ATOM 175 CZ ARG A 12 22.287 28.499 -6.156 1.00 70.54 C ATOM 176 NH1 ARG A 12 22.112 27.826 -7.285 1.00 71.52 N ATOM 177 NH2 ARG A 12 22.231 29.824 -6.164 1.00 43.22 N ATOM 0 H ARG A 12 19.046 25.229 -1.891 1.00 24.51 H new ATOM 0 HA ARG A 12 21.855 24.544 -1.463 1.00 13.03 H new ATOM 0 HB2 ARG A 12 20.475 25.763 -3.512 1.00 21.43 H new ATOM 0 HB3 ARG A 12 21.080 27.157 -2.638 1.00 21.43 H new ATOM 0 HG2 ARG A 12 23.361 26.476 -2.920 1.00 74.10 H new ATOM 0 HG3 ARG A 12 22.898 24.869 -3.443 1.00 74.10 H new ATOM 0 HD2 ARG A 12 23.494 26.044 -5.430 1.00 33.34 H new ATOM 0 HD3 ARG A 12 21.744 25.951 -5.443 1.00 33.34 H new ATOM 0 HE ARG A 12 22.647 28.396 -4.170 1.00 32.13 H new ATOM 0 HH11 ARG A 12 22.154 26.807 -7.283 1.00 71.52 H new ATOM 0 HH12 ARG A 12 21.935 28.327 -8.156 1.00 71.52 H new ATOM 0 HH21 ARG A 12 22.365 30.345 -5.298 1.00 43.22 H new ATOM 0 HH22 ARG A 12 22.054 30.322 -7.037 1.00 43.22 H new ATOM 191 N VAL A 13 22.351 25.988 0.473 1.00 72.04 N ATOM 192 CA VAL A 13 22.674 26.813 1.631 1.00 64.44 C ATOM 193 C VAL A 13 23.598 27.963 1.245 1.00 23.55 C ATOM 194 O VAL A 13 24.477 27.808 0.399 1.00 65.33 O ATOM 195 CB VAL A 13 23.343 25.982 2.742 1.00 33.12 C ATOM 196 CG1 VAL A 13 23.238 26.698 4.080 1.00 30.42 C ATOM 197 CG2 VAL A 13 22.719 24.596 2.819 1.00 4.41 C ATOM 0 H VAL A 13 22.969 25.187 0.340 1.00 72.04 H new ATOM 0 HA VAL A 13 21.733 27.216 2.006 1.00 64.44 H new ATOM 0 HB VAL A 13 24.400 25.867 2.500 1.00 33.12 H new ATOM 0 HG11 VAL A 13 23.716 26.096 4.853 1.00 30.42 H new ATOM 0 HG12 VAL A 13 23.735 27.666 4.015 1.00 30.42 H new ATOM 0 HG13 VAL A 13 22.188 26.845 4.332 1.00 30.42 H new ATOM 0 HG21 VAL A 13 23.203 24.022 3.609 1.00 4.41 H new ATOM 0 HG22 VAL A 13 21.655 24.688 3.037 1.00 4.41 H new ATOM 0 HG23 VAL A 13 22.851 24.084 1.866 1.00 4.41 H new ATOM 207 N GLU A 14 23.392 29.116 1.874 1.00 65.21 N ATOM 208 CA GLU A 14 24.208 30.292 1.596 1.00 53.50 C ATOM 209 C GLU A 14 25.204 30.543 2.724 1.00 11.04 C ATOM 210 O GLU A 14 26.372 30.843 2.481 1.00 70.32 O ATOM 211 CB GLU A 14 23.318 31.523 1.404 1.00 63.44 C ATOM 212 CG GLU A 14 23.837 32.491 0.354 1.00 62.44 C ATOM 213 CD GLU A 14 24.711 33.580 0.945 1.00 34.12 C ATOM 214 OE1 GLU A 14 24.313 34.164 1.975 1.00 23.02 O ATOM 215 OE2 GLU A 14 25.790 33.849 0.379 1.00 64.53 O ATOM 0 H GLU A 14 22.668 29.261 2.578 1.00 65.21 H new ATOM 0 HA GLU A 14 24.765 30.107 0.678 1.00 53.50 H new ATOM 0 HB2 GLU A 14 22.317 31.197 1.122 1.00 63.44 H new ATOM 0 HB3 GLU A 14 23.227 32.047 2.355 1.00 63.44 H new ATOM 0 HG2 GLU A 14 24.407 31.939 -0.394 1.00 62.44 H new ATOM 0 HG3 GLU A 14 22.993 32.948 -0.162 1.00 62.44 H new ATOM 222 N GLY A 15 24.732 30.418 3.961 1.00 1.33 N ATOM 223 CA GLY A 15 25.593 30.635 5.109 1.00 2.01 C ATOM 224 C GLY A 15 26.693 29.597 5.213 1.00 42.31 C ATOM 225 O GLY A 15 27.708 29.687 4.522 1.00 14.41 O ATOM 0 H GLY A 15 23.769 30.170 4.188 1.00 1.33 H new ATOM 0 HA2 GLY A 15 26.039 31.627 5.042 1.00 2.01 H new ATOM 0 HA3 GLY A 15 24.992 30.616 6.018 1.00 2.01 H new ATOM 229 N MET A 16 26.493 28.610 6.080 1.00 62.14 N ATOM 230 CA MET A 16 27.477 27.551 6.272 1.00 63.15 C ATOM 231 C MET A 16 28.895 28.112 6.227 1.00 21.22 C ATOM 232 O MET A 16 29.833 27.427 5.817 1.00 32.20 O ATOM 233 CB MET A 16 27.310 26.470 5.202 1.00 42.14 C ATOM 234 CG MET A 16 27.604 26.959 3.793 1.00 40.23 C ATOM 235 SD MET A 16 27.964 25.611 2.650 1.00 12.35 S ATOM 236 CE MET A 16 26.689 24.436 3.101 1.00 3.31 C ATOM 0 H MET A 16 25.659 28.521 6.660 1.00 62.14 H new ATOM 0 HA MET A 16 27.311 27.109 7.254 1.00 63.15 H new ATOM 0 HB2 MET A 16 27.972 25.636 5.434 1.00 42.14 H new ATOM 0 HB3 MET A 16 26.290 26.088 5.240 1.00 42.14 H new ATOM 0 HG2 MET A 16 26.749 27.525 3.423 1.00 40.23 H new ATOM 0 HG3 MET A 16 28.452 27.644 3.820 1.00 40.23 H new ATOM 0 HE1 MET A 16 27.147 23.564 3.569 1.00 3.31 H new ATOM 0 HE2 MET A 16 25.996 24.902 3.802 1.00 3.31 H new ATOM 0 HE3 MET A 16 26.147 24.126 2.207 1.00 3.31 H new ATOM 299 N CYS A 21 27.595 23.482 11.887 1.00 40.41 N ATOM 300 CA CYS A 21 26.240 23.212 12.355 1.00 42.02 C ATOM 301 C CYS A 21 25.699 21.926 11.740 1.00 60.44 C ATOM 302 O CYS A 21 24.695 21.380 12.198 1.00 50.22 O ATOM 303 CB CYS A 21 25.317 24.383 12.013 1.00 23.31 C ATOM 304 SG CYS A 21 24.156 24.816 13.330 1.00 61.13 S ATOM 0 HA CYS A 21 26.273 23.090 13.438 1.00 42.02 H new ATOM 0 HB2 CYS A 21 25.926 25.256 11.779 1.00 23.31 H new ATOM 0 HB3 CYS A 21 24.754 24.137 11.113 1.00 23.31 H new ATOM 0 HG CYS A 21 23.420 25.817 12.948 1.00 61.13 H new ATOM 310 N VAL A 22 26.370 21.446 10.697 1.00 3.31 N ATOM 311 CA VAL A 22 25.957 20.224 10.018 1.00 52.10 C ATOM 312 C VAL A 22 25.663 19.112 11.018 1.00 20.14 C ATOM 313 O VAL A 22 24.651 18.419 10.913 1.00 40.23 O ATOM 314 CB VAL A 22 27.034 19.739 9.030 1.00 41.33 C ATOM 315 CG1 VAL A 22 26.628 18.413 8.405 1.00 52.31 C ATOM 316 CG2 VAL A 22 27.284 20.789 7.957 1.00 30.04 C ATOM 0 H VAL A 22 27.202 21.886 10.304 1.00 3.31 H new ATOM 0 HA VAL A 22 25.048 20.461 9.465 1.00 52.10 H new ATOM 0 HB VAL A 22 27.963 19.585 9.579 1.00 41.33 H new ATOM 0 HG11 VAL A 22 27.401 18.086 7.710 1.00 52.31 H new ATOM 0 HG12 VAL A 22 26.504 17.665 9.188 1.00 52.31 H new ATOM 0 HG13 VAL A 22 25.687 18.536 7.869 1.00 52.31 H new ATOM 0 HG21 VAL A 22 28.048 20.430 7.267 1.00 30.04 H new ATOM 0 HG22 VAL A 22 26.360 20.977 7.410 1.00 30.04 H new ATOM 0 HG23 VAL A 22 27.623 21.713 8.425 1.00 30.04 H new ATOM 326 N SER A 23 26.555 18.947 11.990 1.00 32.22 N ATOM 327 CA SER A 23 26.393 17.916 13.009 1.00 41.11 C ATOM 328 C SER A 23 25.160 18.188 13.866 1.00 64.22 C ATOM 329 O SER A 23 24.451 17.264 14.263 1.00 21.53 O ATOM 330 CB SER A 23 27.638 17.845 13.895 1.00 44.12 C ATOM 331 OG SER A 23 28.328 16.621 13.708 1.00 11.22 O ATOM 0 H SER A 23 27.397 19.514 12.093 1.00 32.22 H new ATOM 0 HA SER A 23 26.260 16.959 12.504 1.00 41.11 H new ATOM 0 HB2 SER A 23 28.301 18.679 13.664 1.00 44.12 H new ATOM 0 HB3 SER A 23 27.350 17.948 14.941 1.00 44.12 H new ATOM 0 HG SER A 23 29.121 16.601 14.284 1.00 11.22 H new ATOM 337 N SER A 24 24.912 19.463 14.147 1.00 71.05 N ATOM 338 CA SER A 24 23.768 19.858 14.959 1.00 35.14 C ATOM 339 C SER A 24 22.459 19.577 14.227 1.00 14.24 C ATOM 340 O SER A 24 21.488 19.112 14.825 1.00 20.24 O ATOM 341 CB SER A 24 23.857 21.343 15.317 1.00 70.33 C ATOM 342 OG SER A 24 25.175 21.697 15.700 1.00 74.42 O ATOM 0 H SER A 24 25.488 20.240 13.824 1.00 71.05 H new ATOM 0 HA SER A 24 23.785 19.269 15.876 1.00 35.14 H new ATOM 0 HB2 SER A 24 23.549 21.945 14.462 1.00 70.33 H new ATOM 0 HB3 SER A 24 23.166 21.566 16.130 1.00 70.33 H new ATOM 0 HG SER A 24 25.206 22.651 15.922 1.00 74.42 H new ATOM 348 N ILE A 25 22.440 19.864 12.930 1.00 25.21 N ATOM 349 CA ILE A 25 21.252 19.642 12.116 1.00 61.32 C ATOM 350 C ILE A 25 20.817 18.181 12.165 1.00 63.11 C ATOM 351 O ILE A 25 19.641 17.868 11.988 1.00 34.32 O ATOM 352 CB ILE A 25 21.491 20.045 10.649 1.00 43.50 C ATOM 353 CG1 ILE A 25 21.947 21.504 10.566 1.00 23.34 C ATOM 354 CG2 ILE A 25 20.228 19.833 9.828 1.00 20.43 C ATOM 355 CD1 ILE A 25 22.836 21.792 9.377 1.00 40.51 C ATOM 0 H ILE A 25 23.234 20.251 12.420 1.00 25.21 H new ATOM 0 HA ILE A 25 20.463 20.268 12.533 1.00 61.32 H new ATOM 0 HB ILE A 25 22.278 19.413 10.238 1.00 43.50 H new ATOM 0 HG12 ILE A 25 21.069 22.148 10.518 1.00 23.34 H new ATOM 0 HG13 ILE A 25 22.482 21.762 11.480 1.00 23.34 H new ATOM 0 HG21 ILE A 25 20.414 20.123 8.794 1.00 20.43 H new ATOM 0 HG22 ILE A 25 19.942 18.782 9.865 1.00 20.43 H new ATOM 0 HG23 ILE A 25 19.422 20.443 10.236 1.00 20.43 H new ATOM 0 HD11 ILE A 25 23.121 22.844 9.382 1.00 40.51 H new ATOM 0 HD12 ILE A 25 23.732 21.173 9.434 1.00 40.51 H new ATOM 0 HD13 ILE A 25 22.297 21.566 8.457 1.00 40.51 H new ATOM 367 N GLU A 26 21.775 17.292 12.408 1.00 63.23 N ATOM 368 CA GLU A 26 21.490 15.864 12.481 1.00 22.41 C ATOM 369 C GLU A 26 20.539 15.557 13.635 1.00 43.23 C ATOM 370 O GLU A 26 19.689 14.673 13.535 1.00 43.52 O ATOM 371 CB GLU A 26 22.787 15.070 12.650 1.00 4.05 C ATOM 372 CG GLU A 26 23.071 14.116 11.503 1.00 64.33 C ATOM 373 CD GLU A 26 24.378 14.424 10.798 1.00 61.34 C ATOM 374 OE1 GLU A 26 25.437 13.990 11.297 1.00 64.52 O ATOM 375 OE2 GLU A 26 24.342 15.099 9.748 1.00 73.43 O ATOM 0 H GLU A 26 22.754 17.535 12.557 1.00 63.23 H new ATOM 0 HA GLU A 26 21.010 15.568 11.548 1.00 22.41 H new ATOM 0 HB2 GLU A 26 23.620 15.767 12.746 1.00 4.05 H new ATOM 0 HB3 GLU A 26 22.737 14.503 13.579 1.00 4.05 H new ATOM 0 HG2 GLU A 26 23.099 13.095 11.883 1.00 64.33 H new ATOM 0 HG3 GLU A 26 22.254 14.166 10.783 1.00 64.33 H new ATOM 382 N GLY A 27 20.691 16.295 14.731 1.00 74.24 N ATOM 383 CA GLY A 27 19.840 16.087 15.888 1.00 70.01 C ATOM 384 C GLY A 27 18.380 16.370 15.593 1.00 63.52 C ATOM 385 O GLY A 27 17.490 15.767 16.193 1.00 54.25 O ATOM 0 H GLY A 27 21.388 17.032 14.838 1.00 74.24 H new ATOM 0 HA2 GLY A 27 19.945 15.058 16.232 1.00 70.01 H new ATOM 0 HA3 GLY A 27 20.174 16.731 16.701 1.00 70.01 H new ATOM 389 N LYS A 28 18.133 17.290 14.667 1.00 71.10 N ATOM 390 CA LYS A 28 16.771 17.653 14.293 1.00 62.33 C ATOM 391 C LYS A 28 16.018 16.445 13.744 1.00 52.31 C ATOM 392 O LYS A 28 14.839 16.249 14.040 1.00 10.40 O ATOM 393 CB LYS A 28 16.788 18.773 13.251 1.00 41.43 C ATOM 394 CG LYS A 28 17.044 20.149 13.841 1.00 14.22 C ATOM 395 CD LYS A 28 15.953 20.546 14.822 1.00 41.41 C ATOM 396 CE LYS A 28 15.693 22.045 14.790 1.00 62.34 C ATOM 397 NZ LYS A 28 14.521 22.422 15.626 1.00 13.44 N ATOM 0 H LYS A 28 18.859 17.798 14.161 1.00 71.10 H new ATOM 0 HA LYS A 28 16.256 18.005 15.187 1.00 62.33 H new ATOM 0 HB2 LYS A 28 17.557 18.556 12.509 1.00 41.43 H new ATOM 0 HB3 LYS A 28 15.833 18.784 12.726 1.00 41.43 H new ATOM 0 HG2 LYS A 28 18.010 20.155 14.347 1.00 14.22 H new ATOM 0 HG3 LYS A 28 17.099 20.885 13.039 1.00 14.22 H new ATOM 0 HD2 LYS A 28 15.034 20.011 14.582 1.00 41.41 H new ATOM 0 HD3 LYS A 28 16.242 20.247 15.830 1.00 41.41 H new ATOM 0 HE2 LYS A 28 16.577 22.575 15.144 1.00 62.34 H new ATOM 0 HE3 LYS A 28 15.522 22.362 13.761 1.00 62.34 H new ATOM 0 HZ1 LYS A 28 13.977 23.166 15.145 1.00 13.44 H new ATOM 0 HZ2 LYS A 28 13.916 21.589 15.771 1.00 13.44 H new ATOM 0 HZ3 LYS A 28 14.851 22.775 16.547 1.00 13.44 H new ATOM 411 N VAL A 29 16.706 15.637 12.944 1.00 42.33 N ATOM 412 CA VAL A 29 16.103 14.447 12.356 1.00 53.41 C ATOM 413 C VAL A 29 15.435 13.586 13.422 1.00 55.32 C ATOM 414 O VAL A 29 14.306 13.128 13.246 1.00 34.30 O ATOM 415 CB VAL A 29 17.148 13.599 11.607 1.00 0.33 C ATOM 416 CG1 VAL A 29 16.556 12.258 11.201 1.00 2.24 C ATOM 417 CG2 VAL A 29 17.672 14.350 10.392 1.00 15.13 C ATOM 0 H VAL A 29 17.682 15.785 12.688 1.00 42.33 H new ATOM 0 HA VAL A 29 15.350 14.791 11.647 1.00 53.41 H new ATOM 0 HB VAL A 29 17.986 13.411 12.278 1.00 0.33 H new ATOM 0 HG11 VAL A 29 17.309 11.673 10.673 1.00 2.24 H new ATOM 0 HG12 VAL A 29 16.235 11.717 12.091 1.00 2.24 H new ATOM 0 HG13 VAL A 29 15.699 12.421 10.547 1.00 2.24 H new ATOM 0 HG21 VAL A 29 18.409 13.736 9.875 1.00 15.13 H new ATOM 0 HG22 VAL A 29 16.846 14.571 9.716 1.00 15.13 H new ATOM 0 HG23 VAL A 29 18.137 15.282 10.713 1.00 15.13 H new ATOM 427 N ARG A 30 16.139 13.371 14.528 1.00 61.01 N ATOM 428 CA ARG A 30 15.615 12.564 15.623 1.00 55.01 C ATOM 429 C ARG A 30 14.391 13.227 16.249 1.00 73.43 C ATOM 430 O ARG A 30 13.554 12.560 16.859 1.00 4.53 O ATOM 431 CB ARG A 30 16.692 12.349 16.688 1.00 73.03 C ATOM 432 CG ARG A 30 16.426 11.156 17.591 1.00 74.21 C ATOM 433 CD ARG A 30 17.014 9.878 17.014 1.00 44.01 C ATOM 434 NE ARG A 30 18.457 9.796 17.225 1.00 42.20 N ATOM 435 CZ ARG A 30 19.175 8.705 16.984 1.00 75.54 C ATOM 436 NH1 ARG A 30 18.586 7.609 16.525 1.00 70.41 N ATOM 437 NH2 ARG A 30 20.484 8.708 17.201 1.00 74.15 N ATOM 0 H ARG A 30 17.074 13.745 14.690 1.00 61.01 H new ATOM 0 HA ARG A 30 15.317 11.597 15.218 1.00 55.01 H new ATOM 0 HB2 ARG A 30 17.655 12.214 16.196 1.00 73.03 H new ATOM 0 HB3 ARG A 30 16.770 13.247 17.300 1.00 73.03 H new ATOM 0 HG2 ARG A 30 16.853 11.342 18.576 1.00 74.21 H new ATOM 0 HG3 ARG A 30 15.351 11.034 17.727 1.00 74.21 H new ATOM 0 HD2 ARG A 30 16.531 9.016 17.474 1.00 44.01 H new ATOM 0 HD3 ARG A 30 16.800 9.830 15.946 1.00 44.01 H new ATOM 0 HE ARG A 30 18.940 10.623 17.577 1.00 42.20 H new ATOM 0 HH11 ARG A 30 17.580 7.603 16.356 1.00 70.41 H new ATOM 0 HH12 ARG A 30 19.139 6.772 16.340 1.00 70.41 H new ATOM 0 HH21 ARG A 30 20.941 9.549 17.554 1.00 74.15 H new ATOM 0 HH22 ARG A 30 21.034 7.869 17.015 1.00 74.15 H new ATOM 451 N LYS A 31 14.292 14.542 16.093 1.00 4.52 N ATOM 452 CA LYS A 31 13.171 15.297 16.641 1.00 23.45 C ATOM 453 C LYS A 31 12.046 15.419 15.619 1.00 31.22 C ATOM 454 O LYS A 31 10.916 15.769 15.963 1.00 2.23 O ATOM 455 CB LYS A 31 13.632 16.689 17.078 1.00 53.31 C ATOM 456 CG LYS A 31 14.798 16.667 18.050 1.00 3.33 C ATOM 457 CD LYS A 31 14.355 16.254 19.444 1.00 50.42 C ATOM 458 CE LYS A 31 13.656 17.395 20.167 1.00 0.33 C ATOM 459 NZ LYS A 31 14.629 18.356 20.758 1.00 34.34 N ATOM 0 H LYS A 31 14.976 15.108 15.591 1.00 4.52 H new ATOM 0 HA LYS A 31 12.792 14.758 17.509 1.00 23.45 H new ATOM 0 HB2 LYS A 31 13.917 17.262 16.195 1.00 53.31 H new ATOM 0 HB3 LYS A 31 12.794 17.211 17.540 1.00 53.31 H new ATOM 0 HG2 LYS A 31 15.560 15.976 17.690 1.00 3.33 H new ATOM 0 HG3 LYS A 31 15.257 17.655 18.091 1.00 3.33 H new ATOM 0 HD2 LYS A 31 13.682 15.399 19.375 1.00 50.42 H new ATOM 0 HD3 LYS A 31 15.221 15.932 20.022 1.00 50.42 H new ATOM 0 HE2 LYS A 31 13.004 17.921 19.470 1.00 0.33 H new ATOM 0 HE3 LYS A 31 13.021 16.991 20.955 1.00 0.33 H new ATOM 0 HZ1 LYS A 31 14.113 19.119 21.242 1.00 34.34 H new ATOM 0 HZ2 LYS A 31 15.235 17.860 21.442 1.00 34.34 H new ATOM 0 HZ3 LYS A 31 15.219 18.761 20.003 1.00 34.34 H new ATOM 473 N LEU A 32 12.360 15.127 14.362 1.00 24.41 N ATOM 474 CA LEU A 32 11.375 15.202 13.289 1.00 13.24 C ATOM 475 C LEU A 32 10.420 14.014 13.342 1.00 31.15 C ATOM 476 O LEU A 32 10.843 12.875 13.537 1.00 72.31 O ATOM 477 CB LEU A 32 12.074 15.249 11.930 1.00 61.33 C ATOM 478 CG LEU A 32 12.214 16.632 11.294 1.00 43.20 C ATOM 479 CD1 LEU A 32 10.845 17.234 11.017 1.00 22.24 C ATOM 480 CD2 LEU A 32 13.031 17.551 12.191 1.00 62.12 C ATOM 0 H LEU A 32 13.290 14.836 14.060 1.00 24.41 H new ATOM 0 HA LEU A 32 10.796 16.116 13.424 1.00 13.24 H new ATOM 0 HB2 LEU A 32 13.070 14.820 12.041 1.00 61.33 H new ATOM 0 HB3 LEU A 32 11.526 14.608 11.240 1.00 61.33 H new ATOM 0 HG LEU A 32 12.739 16.523 10.345 1.00 43.20 H new ATOM 0 HD11 LEU A 32 10.965 18.218 10.564 1.00 22.24 H new ATOM 0 HD12 LEU A 32 10.294 16.586 10.336 1.00 22.24 H new ATOM 0 HD13 LEU A 32 10.294 17.330 11.952 1.00 22.24 H new ATOM 0 HD21 LEU A 32 13.121 18.531 11.723 1.00 62.12 H new ATOM 0 HD22 LEU A 32 12.534 17.654 13.156 1.00 62.12 H new ATOM 0 HD23 LEU A 32 14.024 17.127 12.338 1.00 62.12 H new ATOM 492 N GLN A 33 9.131 14.288 13.166 1.00 4.33 N ATOM 493 CA GLN A 33 8.117 13.241 13.193 1.00 63.02 C ATOM 494 C GLN A 33 7.964 12.597 11.819 1.00 54.22 C ATOM 495 O GLN A 33 7.874 11.376 11.701 1.00 64.11 O ATOM 496 CB GLN A 33 6.776 13.813 13.654 1.00 35.42 C ATOM 497 CG GLN A 33 6.250 14.927 12.763 1.00 22.25 C ATOM 498 CD GLN A 33 5.023 15.605 13.340 1.00 51.04 C ATOM 499 OE1 GLN A 33 4.323 15.039 14.180 1.00 64.41 O ATOM 500 NE2 GLN A 33 4.755 16.825 12.890 1.00 53.30 N ATOM 0 H GLN A 33 8.765 15.226 13.003 1.00 4.33 H new ATOM 0 HA GLN A 33 8.439 12.475 13.899 1.00 63.02 H new ATOM 0 HB2 GLN A 33 6.041 13.009 13.689 1.00 35.42 H new ATOM 0 HB3 GLN A 33 6.882 14.192 14.670 1.00 35.42 H new ATOM 0 HG2 GLN A 33 7.034 15.669 12.614 1.00 22.25 H new ATOM 0 HG3 GLN A 33 6.007 14.519 11.782 1.00 22.25 H new ATOM 0 HE21 GLN A 33 5.362 17.256 12.193 1.00 53.30 H new ATOM 0 HE22 GLN A 33 3.942 17.331 13.241 1.00 53.30 H new ATOM 509 N GLY A 34 7.933 13.428 10.781 1.00 11.12 N ATOM 510 CA GLY A 34 7.789 12.921 9.429 1.00 43.31 C ATOM 511 C GLY A 34 9.125 12.639 8.771 1.00 62.42 C ATOM 512 O GLY A 34 9.373 11.526 8.306 1.00 45.01 O ATOM 0 H GLY A 34 8.005 14.443 10.853 1.00 11.12 H new ATOM 0 HA2 GLY A 34 7.197 12.006 9.448 1.00 43.31 H new ATOM 0 HA3 GLY A 34 7.238 13.645 8.829 1.00 43.31 H new ATOM 516 N VAL A 35 9.988 13.649 8.729 1.00 23.32 N ATOM 517 CA VAL A 35 11.306 13.504 8.122 1.00 21.24 C ATOM 518 C VAL A 35 11.961 12.192 8.539 1.00 65.25 C ATOM 519 O VAL A 35 11.913 11.804 9.706 1.00 63.00 O ATOM 520 CB VAL A 35 12.233 14.672 8.507 1.00 13.51 C ATOM 521 CG1 VAL A 35 13.441 14.164 9.278 1.00 3.33 C ATOM 522 CG2 VAL A 35 12.665 15.439 7.267 1.00 44.44 C ATOM 0 H VAL A 35 9.798 14.577 9.108 1.00 23.32 H new ATOM 0 HA VAL A 35 11.159 13.507 7.042 1.00 21.24 H new ATOM 0 HB VAL A 35 11.681 15.354 9.154 1.00 13.51 H new ATOM 0 HG11 VAL A 35 14.084 15.004 9.541 1.00 3.33 H new ATOM 0 HG12 VAL A 35 13.108 13.663 10.187 1.00 3.33 H new ATOM 0 HG13 VAL A 35 13.998 13.460 8.659 1.00 3.33 H new ATOM 0 HG21 VAL A 35 13.320 16.261 7.557 1.00 44.44 H new ATOM 0 HG22 VAL A 35 13.200 14.770 6.593 1.00 44.44 H new ATOM 0 HG23 VAL A 35 11.786 15.837 6.761 1.00 44.44 H new ATOM 532 N VAL A 36 12.575 11.511 7.575 1.00 11.43 N ATOM 533 CA VAL A 36 13.242 10.243 7.841 1.00 22.34 C ATOM 534 C VAL A 36 14.710 10.457 8.194 1.00 11.00 C ATOM 535 O VAL A 36 15.218 9.883 9.157 1.00 33.42 O ATOM 536 CB VAL A 36 13.150 9.295 6.631 1.00 54.03 C ATOM 537 CG1 VAL A 36 13.423 7.860 7.054 1.00 64.23 C ATOM 538 CG2 VAL A 36 11.787 9.413 5.966 1.00 74.34 C ATOM 0 H VAL A 36 12.624 11.817 6.603 1.00 11.43 H new ATOM 0 HA VAL A 36 12.730 9.789 8.689 1.00 22.34 H new ATOM 0 HB VAL A 36 13.910 9.585 5.906 1.00 54.03 H new ATOM 0 HG11 VAL A 36 13.353 7.205 6.185 1.00 64.23 H new ATOM 0 HG12 VAL A 36 14.423 7.791 7.482 1.00 64.23 H new ATOM 0 HG13 VAL A 36 12.688 7.554 7.799 1.00 64.23 H new ATOM 0 HG21 VAL A 36 11.739 8.736 5.113 1.00 74.34 H new ATOM 0 HG22 VAL A 36 11.009 9.150 6.682 1.00 74.34 H new ATOM 0 HG23 VAL A 36 11.636 10.437 5.626 1.00 74.34 H new ATOM 548 N ARG A 37 15.386 11.288 7.408 1.00 63.02 N ATOM 549 CA ARG A 37 16.797 11.578 7.636 1.00 13.15 C ATOM 550 C ARG A 37 17.240 12.794 6.828 1.00 15.44 C ATOM 551 O ARG A 37 16.618 13.147 5.826 1.00 60.42 O ATOM 552 CB ARG A 37 17.655 10.367 7.267 1.00 71.12 C ATOM 553 CG ARG A 37 18.771 10.086 8.259 1.00 24.21 C ATOM 554 CD ARG A 37 19.169 8.618 8.249 1.00 44.21 C ATOM 555 NE ARG A 37 20.507 8.418 7.699 1.00 62.34 N ATOM 556 CZ ARG A 37 20.765 8.358 6.397 1.00 40.32 C ATOM 557 NH1 ARG A 37 19.782 8.484 5.516 1.00 34.15 N ATOM 558 NH2 ARG A 37 22.009 8.174 5.973 1.00 31.53 N ATOM 0 H ARG A 37 14.980 11.773 6.608 1.00 63.02 H new ATOM 0 HA ARG A 37 16.930 11.799 8.695 1.00 13.15 H new ATOM 0 HB2 ARG A 37 17.015 9.488 7.194 1.00 71.12 H new ATOM 0 HB3 ARG A 37 18.089 10.527 6.280 1.00 71.12 H new ATOM 0 HG2 ARG A 37 19.638 10.701 8.017 1.00 24.21 H new ATOM 0 HG3 ARG A 37 18.449 10.370 9.261 1.00 24.21 H new ATOM 0 HD2 ARG A 37 19.132 8.225 9.265 1.00 44.21 H new ATOM 0 HD3 ARG A 37 18.447 8.051 7.662 1.00 44.21 H new ATOM 0 HE ARG A 37 21.286 8.319 8.350 1.00 62.34 H new ATOM 0 HH11 ARG A 37 18.825 8.627 5.837 1.00 34.15 H new ATOM 0 HH12 ARG A 37 19.983 8.438 4.517 1.00 34.15 H new ATOM 0 HH21 ARG A 37 22.769 8.078 6.647 1.00 31.53 H new ATOM 0 HH22 ARG A 37 22.205 8.128 4.973 1.00 31.53 H new ATOM 572 N VAL A 38 18.318 13.433 7.272 1.00 33.23 N ATOM 573 CA VAL A 38 18.844 14.609 6.591 1.00 43.13 C ATOM 574 C VAL A 38 20.333 14.455 6.300 1.00 51.31 C ATOM 575 O VAL A 38 21.129 14.189 7.201 1.00 72.14 O ATOM 576 CB VAL A 38 18.624 15.886 7.424 1.00 64.12 C ATOM 577 CG1 VAL A 38 19.166 17.103 6.689 1.00 31.22 C ATOM 578 CG2 VAL A 38 17.149 16.062 7.749 1.00 72.03 C ATOM 0 H VAL A 38 18.844 13.155 8.101 1.00 33.23 H new ATOM 0 HA VAL A 38 18.300 14.700 5.651 1.00 43.13 H new ATOM 0 HB VAL A 38 19.170 15.786 8.362 1.00 64.12 H new ATOM 0 HG11 VAL A 38 19.002 17.996 7.293 1.00 31.22 H new ATOM 0 HG12 VAL A 38 20.234 16.976 6.513 1.00 31.22 H new ATOM 0 HG13 VAL A 38 18.651 17.211 5.734 1.00 31.22 H new ATOM 0 HG21 VAL A 38 17.012 16.969 8.338 1.00 72.03 H new ATOM 0 HG22 VAL A 38 16.579 16.141 6.823 1.00 72.03 H new ATOM 0 HG23 VAL A 38 16.797 15.202 8.319 1.00 72.03 H new ATOM 588 N LYS A 39 20.704 14.625 5.035 1.00 14.43 N ATOM 589 CA LYS A 39 22.097 14.508 4.624 1.00 64.43 C ATOM 590 C LYS A 39 22.638 15.851 4.143 1.00 22.51 C ATOM 591 O LYS A 39 22.093 16.456 3.220 1.00 3.11 O ATOM 592 CB LYS A 39 22.236 13.463 3.514 1.00 44.23 C ATOM 593 CG LYS A 39 23.661 13.291 3.016 1.00 71.24 C ATOM 594 CD LYS A 39 24.529 12.584 4.043 1.00 70.52 C ATOM 595 CE LYS A 39 24.330 11.076 3.997 1.00 3.33 C ATOM 596 NZ LYS A 39 24.865 10.484 2.740 1.00 23.12 N ATOM 0 H LYS A 39 20.058 14.844 4.277 1.00 14.43 H new ATOM 0 HA LYS A 39 22.680 14.191 5.489 1.00 64.43 H new ATOM 0 HB2 LYS A 39 21.870 12.504 3.881 1.00 44.23 H new ATOM 0 HB3 LYS A 39 21.599 13.748 2.676 1.00 44.23 H new ATOM 0 HG2 LYS A 39 23.656 12.720 2.087 1.00 71.24 H new ATOM 0 HG3 LYS A 39 24.088 14.268 2.788 1.00 71.24 H new ATOM 0 HD2 LYS A 39 25.577 12.820 3.859 1.00 70.52 H new ATOM 0 HD3 LYS A 39 24.289 12.954 5.040 1.00 70.52 H new ATOM 0 HE2 LYS A 39 24.825 10.618 4.853 1.00 3.33 H new ATOM 0 HE3 LYS A 39 23.268 10.847 4.083 1.00 3.33 H new ATOM 0 HZ1 LYS A 39 25.041 9.469 2.882 1.00 23.12 H new ATOM 0 HZ2 LYS A 39 24.173 10.612 1.974 1.00 23.12 H new ATOM 0 HZ3 LYS A 39 25.755 10.957 2.485 1.00 23.12 H new ATOM 610 N VAL A 40 23.714 16.310 4.774 1.00 10.32 N ATOM 611 CA VAL A 40 24.330 17.580 4.409 1.00 10.41 C ATOM 612 C VAL A 40 25.715 17.367 3.808 1.00 74.11 C ATOM 613 O VAL A 40 26.548 16.662 4.377 1.00 32.11 O ATOM 614 CB VAL A 40 24.450 18.517 5.626 1.00 34.43 C ATOM 615 CG1 VAL A 40 25.115 19.826 5.230 1.00 24.51 C ATOM 616 CG2 VAL A 40 23.081 18.769 6.240 1.00 11.50 C ATOM 0 H VAL A 40 24.177 15.821 5.540 1.00 10.32 H new ATOM 0 HA VAL A 40 23.681 18.043 3.666 1.00 10.41 H new ATOM 0 HB VAL A 40 25.076 18.033 6.375 1.00 34.43 H new ATOM 0 HG11 VAL A 40 25.191 20.474 6.103 1.00 24.51 H new ATOM 0 HG12 VAL A 40 26.113 19.624 4.840 1.00 24.51 H new ATOM 0 HG13 VAL A 40 24.519 20.319 4.462 1.00 24.51 H new ATOM 0 HG21 VAL A 40 23.184 19.433 7.098 1.00 11.50 H new ATOM 0 HG22 VAL A 40 22.430 19.232 5.499 1.00 11.50 H new ATOM 0 HG23 VAL A 40 22.647 17.823 6.563 1.00 11.50 H new ATOM 626 N SER A 41 25.954 17.981 2.654 1.00 54.13 N ATOM 627 CA SER A 41 27.237 17.856 1.973 1.00 71.14 C ATOM 628 C SER A 41 27.998 19.178 2.001 1.00 23.30 C ATOM 629 O SER A 41 27.655 20.121 1.287 1.00 10.02 O ATOM 630 CB SER A 41 27.028 17.405 0.525 1.00 4.54 C ATOM 631 OG SER A 41 28.258 17.045 -0.079 1.00 4.11 O ATOM 0 H SER A 41 25.276 18.570 2.171 1.00 54.13 H new ATOM 0 HA SER A 41 27.828 17.106 2.498 1.00 71.14 H new ATOM 0 HB2 SER A 41 26.345 16.556 0.500 1.00 4.54 H new ATOM 0 HB3 SER A 41 26.560 18.207 -0.045 1.00 4.54 H new ATOM 0 HG SER A 41 28.098 16.759 -1.003 1.00 4.11 H new ATOM 637 N LEU A 42 29.034 19.239 2.831 1.00 71.33 N ATOM 638 CA LEU A 42 29.846 20.444 2.954 1.00 52.42 C ATOM 639 C LEU A 42 30.659 20.685 1.686 1.00 52.22 C ATOM 640 O LEU A 42 30.959 21.827 1.337 1.00 64.44 O ATOM 641 CB LEU A 42 30.781 20.333 4.159 1.00 32.33 C ATOM 642 CG LEU A 42 31.567 21.594 4.518 1.00 13.23 C ATOM 643 CD1 LEU A 42 31.927 21.596 5.996 1.00 44.03 C ATOM 644 CD2 LEU A 42 32.819 21.704 3.661 1.00 4.15 C ATOM 0 H LEU A 42 29.331 18.468 3.429 1.00 71.33 H new ATOM 0 HA LEU A 42 29.175 21.290 3.100 1.00 52.42 H new ATOM 0 HB2 LEU A 42 30.190 20.039 5.026 1.00 32.33 H new ATOM 0 HB3 LEU A 42 31.491 19.528 3.969 1.00 32.33 H new ATOM 0 HG LEU A 42 30.937 22.461 4.318 1.00 13.23 H new ATOM 0 HD11 LEU A 42 32.486 22.501 6.233 1.00 44.03 H new ATOM 0 HD12 LEU A 42 31.015 21.566 6.593 1.00 44.03 H new ATOM 0 HD13 LEU A 42 32.538 20.722 6.223 1.00 44.03 H new ATOM 0 HD21 LEU A 42 33.366 22.608 3.930 1.00 4.15 H new ATOM 0 HD22 LEU A 42 33.452 20.833 3.829 1.00 4.15 H new ATOM 0 HD23 LEU A 42 32.537 21.751 2.609 1.00 4.15 H new ATOM 656 N SER A 43 31.010 19.602 1.000 1.00 52.34 N ATOM 657 CA SER A 43 31.789 19.696 -0.229 1.00 64.53 C ATOM 658 C SER A 43 30.953 20.287 -1.360 1.00 32.12 C ATOM 659 O SER A 43 31.477 20.953 -2.251 1.00 51.41 O ATOM 660 CB SER A 43 32.311 18.315 -0.634 1.00 14.15 C ATOM 661 OG SER A 43 33.516 18.421 -1.372 1.00 14.04 O ATOM 0 H SER A 43 30.767 18.650 1.274 1.00 52.34 H new ATOM 0 HA SER A 43 32.635 20.357 -0.043 1.00 64.53 H new ATOM 0 HB2 SER A 43 32.479 17.711 0.257 1.00 14.15 H new ATOM 0 HB3 SER A 43 31.559 17.800 -1.232 1.00 14.15 H new ATOM 0 HG SER A 43 33.829 17.525 -1.617 1.00 14.04 H new ATOM 667 N ASN A 44 29.648 20.037 -1.315 1.00 42.01 N ATOM 668 CA ASN A 44 28.738 20.544 -2.335 1.00 74.45 C ATOM 669 C ASN A 44 27.994 21.779 -1.836 1.00 61.22 C ATOM 670 O ASN A 44 27.195 22.370 -2.563 1.00 25.45 O ATOM 671 CB ASN A 44 27.736 19.460 -2.738 1.00 73.42 C ATOM 672 CG ASN A 44 27.739 19.195 -4.231 1.00 64.14 C ATOM 673 OD1 ASN A 44 27.908 20.112 -5.035 1.00 61.12 O ATOM 674 ND2 ASN A 44 27.553 17.936 -4.609 1.00 74.43 N ATOM 0 H ASN A 44 29.198 19.487 -0.584 1.00 42.01 H new ATOM 0 HA ASN A 44 29.330 20.826 -3.206 1.00 74.45 H new ATOM 0 HB2 ASN A 44 27.971 18.537 -2.208 1.00 73.42 H new ATOM 0 HB3 ASN A 44 26.735 19.761 -2.427 1.00 73.42 H new ATOM 0 HD21 ASN A 44 27.546 17.697 -5.601 1.00 74.43 H new ATOM 0 HD22 ASN A 44 27.417 17.208 -3.908 1.00 74.43 H new ATOM 681 N GLN A 45 28.264 22.162 -0.593 1.00 14.55 N ATOM 682 CA GLN A 45 27.620 23.327 0.003 1.00 10.24 C ATOM 683 C GLN A 45 26.106 23.262 -0.172 1.00 44.33 C ATOM 684 O GLN A 45 25.461 24.273 -0.448 1.00 33.12 O ATOM 685 CB GLN A 45 28.163 24.613 -0.623 1.00 23.32 C ATOM 686 CG GLN A 45 29.655 24.811 -0.407 1.00 50.14 C ATOM 687 CD GLN A 45 30.095 26.241 -0.653 1.00 30.13 C ATOM 688 OE1 GLN A 45 30.000 26.749 -1.770 1.00 75.03 O ATOM 689 NE2 GLN A 45 30.580 26.899 0.394 1.00 64.05 N ATOM 0 H GLN A 45 28.923 21.684 0.021 1.00 14.55 H new ATOM 0 HA GLN A 45 27.844 23.328 1.070 1.00 10.24 H new ATOM 0 HB2 GLN A 45 27.958 24.601 -1.693 1.00 23.32 H new ATOM 0 HB3 GLN A 45 27.627 25.465 -0.205 1.00 23.32 H new ATOM 0 HG2 GLN A 45 29.912 24.526 0.613 1.00 50.14 H new ATOM 0 HG3 GLN A 45 30.206 24.146 -1.072 1.00 50.14 H new ATOM 0 HE21 GLN A 45 30.641 26.439 1.302 1.00 64.05 H new ATOM 0 HE22 GLN A 45 30.892 27.865 0.290 1.00 64.05 H new ATOM 698 N GLU A 46 25.548 22.067 -0.012 1.00 34.25 N ATOM 699 CA GLU A 46 24.110 21.871 -0.154 1.00 54.10 C ATOM 700 C GLU A 46 23.552 21.062 1.014 1.00 64.14 C ATOM 701 O GLU A 46 24.300 20.416 1.748 1.00 53.41 O ATOM 702 CB GLU A 46 23.797 21.164 -1.474 1.00 61.52 C ATOM 703 CG GLU A 46 23.848 19.648 -1.379 1.00 70.15 C ATOM 704 CD GLU A 46 24.210 18.993 -2.698 1.00 73.33 C ATOM 705 OE1 GLU A 46 23.917 19.589 -3.756 1.00 74.41 O ATOM 706 OE2 GLU A 46 24.785 17.885 -2.673 1.00 21.21 O ATOM 0 H GLU A 46 26.069 21.220 0.216 1.00 34.25 H new ATOM 0 HA GLU A 46 23.634 22.852 -0.154 1.00 54.10 H new ATOM 0 HB2 GLU A 46 22.805 21.465 -1.812 1.00 61.52 H new ATOM 0 HB3 GLU A 46 24.507 21.496 -2.232 1.00 61.52 H new ATOM 0 HG2 GLU A 46 24.577 19.359 -0.622 1.00 70.15 H new ATOM 0 HG3 GLU A 46 22.879 19.276 -1.046 1.00 70.15 H new ATOM 713 N ALA A 47 22.234 21.103 1.178 1.00 23.25 N ATOM 714 CA ALA A 47 21.576 20.373 2.255 1.00 40.10 C ATOM 715 C ALA A 47 20.440 19.509 1.718 1.00 62.10 C ATOM 716 O ALA A 47 19.540 20.001 1.038 1.00 40.53 O ATOM 717 CB ALA A 47 21.054 21.341 3.306 1.00 33.03 C ATOM 0 H ALA A 47 21.601 21.634 0.579 1.00 23.25 H new ATOM 0 HA ALA A 47 22.311 19.714 2.717 1.00 40.10 H new ATOM 0 HB1 ALA A 47 20.565 20.782 4.104 1.00 33.03 H new ATOM 0 HB2 ALA A 47 21.885 21.912 3.719 1.00 33.03 H new ATOM 0 HB3 ALA A 47 20.337 22.023 2.849 1.00 33.03 H new ATOM 723 N VAL A 48 20.488 18.217 2.027 1.00 25.02 N ATOM 724 CA VAL A 48 19.463 17.284 1.576 1.00 61.11 C ATOM 725 C VAL A 48 18.575 16.841 2.733 1.00 2.03 C ATOM 726 O VAL A 48 19.068 16.432 3.785 1.00 14.23 O ATOM 727 CB VAL A 48 20.087 16.040 0.917 1.00 63.42 C ATOM 728 CG1 VAL A 48 19.013 15.189 0.257 1.00 51.03 C ATOM 729 CG2 VAL A 48 21.150 16.448 -0.092 1.00 1.20 C ATOM 0 H VAL A 48 21.226 17.793 2.588 1.00 25.02 H new ATOM 0 HA VAL A 48 18.858 17.812 0.839 1.00 61.11 H new ATOM 0 HB VAL A 48 20.565 15.441 1.692 1.00 63.42 H new ATOM 0 HG11 VAL A 48 19.473 14.315 -0.203 1.00 51.03 H new ATOM 0 HG12 VAL A 48 18.292 14.866 1.008 1.00 51.03 H new ATOM 0 HG13 VAL A 48 18.503 15.775 -0.508 1.00 51.03 H new ATOM 0 HG21 VAL A 48 21.580 15.556 -0.548 1.00 1.20 H new ATOM 0 HG22 VAL A 48 20.698 17.069 -0.865 1.00 1.20 H new ATOM 0 HG23 VAL A 48 21.934 17.011 0.413 1.00 1.20 H new ATOM 739 N ILE A 49 17.265 16.925 2.532 1.00 75.31 N ATOM 740 CA ILE A 49 16.308 16.531 3.559 1.00 73.25 C ATOM 741 C ILE A 49 15.364 15.449 3.045 1.00 62.35 C ATOM 742 O ILE A 49 14.590 15.674 2.113 1.00 4.34 O ATOM 743 CB ILE A 49 15.476 17.733 4.044 1.00 61.20 C ATOM 744 CG1 ILE A 49 16.393 18.824 4.599 1.00 3.44 C ATOM 745 CG2 ILE A 49 14.471 17.291 5.098 1.00 65.15 C ATOM 746 CD1 ILE A 49 16.426 20.076 3.750 1.00 31.15 C ATOM 0 H ILE A 49 16.841 17.262 1.668 1.00 75.31 H new ATOM 0 HA ILE A 49 16.887 16.138 4.395 1.00 73.25 H new ATOM 0 HB ILE A 49 14.927 18.142 3.196 1.00 61.20 H new ATOM 0 HG12 ILE A 49 16.065 19.086 5.605 1.00 3.44 H new ATOM 0 HG13 ILE A 49 17.404 18.427 4.686 1.00 3.44 H new ATOM 0 HG21 ILE A 49 13.891 18.152 5.431 1.00 65.15 H new ATOM 0 HG22 ILE A 49 13.801 16.544 4.671 1.00 65.15 H new ATOM 0 HG23 ILE A 49 15.001 16.860 5.948 1.00 65.15 H new ATOM 0 HD11 ILE A 49 17.096 20.806 4.204 1.00 31.15 H new ATOM 0 HD12 ILE A 49 16.783 19.828 2.750 1.00 31.15 H new ATOM 0 HD13 ILE A 49 15.423 20.497 3.683 1.00 31.15 H new ATOM 758 N THR A 50 15.432 14.271 3.659 1.00 41.54 N ATOM 759 CA THR A 50 14.584 13.154 3.264 1.00 20.33 C ATOM 760 C THR A 50 13.363 13.044 4.170 1.00 22.54 C ATOM 761 O THR A 50 13.492 12.902 5.387 1.00 55.02 O ATOM 762 CB THR A 50 15.357 11.822 3.300 1.00 43.03 C ATOM 763 OG1 THR A 50 16.538 11.920 2.495 1.00 21.35 O ATOM 764 CG2 THR A 50 14.489 10.678 2.798 1.00 52.54 C ATOM 0 H THR A 50 16.066 14.067 4.432 1.00 41.54 H new ATOM 0 HA THR A 50 14.259 13.350 2.242 1.00 20.33 H new ATOM 0 HB THR A 50 15.637 11.618 4.333 1.00 43.03 H new ATOM 0 HG1 THR A 50 17.025 11.070 2.524 1.00 21.35 H new ATOM 0 HG21 THR A 50 15.057 9.748 2.833 1.00 52.54 H new ATOM 0 HG22 THR A 50 13.605 10.588 3.430 1.00 52.54 H new ATOM 0 HG23 THR A 50 14.182 10.877 1.771 1.00 52.54 H new ATOM 772 N TYR A 51 12.180 13.109 3.571 1.00 74.51 N ATOM 773 CA TYR A 51 10.935 13.018 4.325 1.00 71.32 C ATOM 774 C TYR A 51 9.938 12.102 3.622 1.00 72.42 C ATOM 775 O TYR A 51 10.193 11.620 2.519 1.00 61.24 O ATOM 776 CB TYR A 51 10.324 14.408 4.511 1.00 61.33 C ATOM 777 CG TYR A 51 9.493 14.866 3.334 1.00 50.22 C ATOM 778 CD1 TYR A 51 10.055 14.998 2.070 1.00 20.41 C ATOM 779 CD2 TYR A 51 8.145 15.167 3.486 1.00 71.03 C ATOM 780 CE1 TYR A 51 9.299 15.417 0.992 1.00 24.04 C ATOM 781 CE2 TYR A 51 7.381 15.586 2.413 1.00 22.43 C ATOM 782 CZ TYR A 51 7.963 15.710 1.169 1.00 61.51 C ATOM 783 OH TYR A 51 7.207 16.126 0.098 1.00 53.15 O ATOM 0 H TYR A 51 12.056 13.224 2.565 1.00 74.51 H new ATOM 0 HA TYR A 51 11.163 12.595 5.303 1.00 71.32 H new ATOM 0 HB2 TYR A 51 9.701 14.405 5.406 1.00 61.33 H new ATOM 0 HB3 TYR A 51 11.125 15.128 4.682 1.00 61.33 H new ATOM 0 HD1 TYR A 51 11.101 14.769 1.928 1.00 20.41 H new ATOM 0 HD2 TYR A 51 7.686 15.072 4.459 1.00 71.03 H new ATOM 0 HE1 TYR A 51 9.752 15.515 0.016 1.00 24.04 H new ATOM 0 HE2 TYR A 51 6.334 15.815 2.548 1.00 22.43 H new ATOM 0 HH TYR A 51 6.417 15.553 0.013 1.00 53.15 H new ATOM 793 N GLN A 52 8.801 11.867 4.270 1.00 42.13 N ATOM 794 CA GLN A 52 7.765 11.009 3.707 1.00 1.03 C ATOM 795 C GLN A 52 6.445 11.762 3.581 1.00 74.45 C ATOM 796 O GLN A 52 6.031 12.494 4.479 1.00 12.14 O ATOM 797 CB GLN A 52 7.575 9.765 4.577 1.00 4.45 C ATOM 798 CG GLN A 52 7.364 8.490 3.778 1.00 74.11 C ATOM 799 CD GLN A 52 7.719 7.243 4.563 1.00 33.15 C ATOM 800 OE1 GLN A 52 6.841 6.541 5.067 1.00 52.41 O ATOM 801 NE2 GLN A 52 9.011 6.960 4.673 1.00 64.35 N ATOM 0 H GLN A 52 8.574 12.258 5.184 1.00 42.13 H new ATOM 0 HA GLN A 52 8.084 10.702 2.711 1.00 1.03 H new ATOM 0 HB2 GLN A 52 8.449 9.642 5.217 1.00 4.45 H new ATOM 0 HB3 GLN A 52 6.718 9.918 5.233 1.00 4.45 H new ATOM 0 HG2 GLN A 52 6.322 8.432 3.463 1.00 74.11 H new ATOM 0 HG3 GLN A 52 7.969 8.529 2.872 1.00 74.11 H new ATOM 0 HE21 GLN A 52 9.705 7.569 4.240 1.00 64.35 H new ATOM 0 HE22 GLN A 52 9.310 6.134 5.191 1.00 64.35 H new ATOM 810 N PRO A 53 5.766 11.579 2.438 1.00 21.20 N ATOM 811 CA PRO A 53 4.482 12.232 2.167 1.00 42.03 C ATOM 812 C PRO A 53 3.357 11.683 3.037 1.00 0.23 C ATOM 813 O PRO A 53 2.350 12.354 3.262 1.00 15.24 O ATOM 814 CB PRO A 53 4.224 11.909 0.693 1.00 62.31 C ATOM 815 CG PRO A 53 4.983 10.651 0.442 1.00 1.54 C ATOM 816 CD PRO A 53 6.200 10.720 1.323 1.00 32.34 C ATOM 0 HA PRO A 53 4.514 13.300 2.385 1.00 42.03 H new ATOM 0 HB2 PRO A 53 3.160 11.775 0.497 1.00 62.31 H new ATOM 0 HB3 PRO A 53 4.568 12.715 0.045 1.00 62.31 H new ATOM 0 HG2 PRO A 53 4.378 9.776 0.680 1.00 1.54 H new ATOM 0 HG3 PRO A 53 5.265 10.568 -0.608 1.00 1.54 H new ATOM 0 HD2 PRO A 53 6.501 9.732 1.671 1.00 32.34 H new ATOM 0 HD3 PRO A 53 7.054 11.146 0.796 1.00 32.34 H new ATOM 824 N TYR A 54 3.535 10.460 3.525 1.00 43.53 N ATOM 825 CA TYR A 54 2.534 9.821 4.369 1.00 33.15 C ATOM 826 C TYR A 54 2.629 10.326 5.806 1.00 43.22 C ATOM 827 O TYR A 54 1.717 10.126 6.609 1.00 24.23 O ATOM 828 CB TYR A 54 2.706 8.301 4.339 1.00 13.32 C ATOM 829 CG TYR A 54 2.037 7.593 5.496 1.00 50.04 C ATOM 830 CD1 TYR A 54 2.699 7.417 6.705 1.00 41.34 C ATOM 831 CD2 TYR A 54 0.744 7.099 5.379 1.00 32.33 C ATOM 832 CE1 TYR A 54 2.093 6.770 7.764 1.00 55.32 C ATOM 833 CE2 TYR A 54 0.129 6.452 6.434 1.00 71.34 C ATOM 834 CZ TYR A 54 0.807 6.290 7.624 1.00 63.25 C ATOM 835 OH TYR A 54 0.199 5.645 8.676 1.00 73.43 O ATOM 0 H TYR A 54 4.364 9.892 3.350 1.00 43.53 H new ATOM 0 HA TYR A 54 1.549 10.077 3.977 1.00 33.15 H new ATOM 0 HB2 TYR A 54 2.299 7.916 3.404 1.00 13.32 H new ATOM 0 HB3 TYR A 54 3.770 8.064 4.345 1.00 13.32 H new ATOM 0 HD1 TYR A 54 3.705 7.793 6.819 1.00 41.34 H new ATOM 0 HD2 TYR A 54 0.210 7.223 4.448 1.00 32.33 H new ATOM 0 HE1 TYR A 54 2.623 6.641 8.696 1.00 55.32 H new ATOM 0 HE2 TYR A 54 -0.877 6.075 6.327 1.00 71.34 H new ATOM 0 HH TYR A 54 -0.704 5.370 8.413 1.00 73.43 H new ATOM 845 N LEU A 55 3.740 10.983 6.122 1.00 53.31 N ATOM 846 CA LEU A 55 3.956 11.519 7.461 1.00 5.42 C ATOM 847 C LEU A 55 3.833 13.040 7.466 1.00 64.23 C ATOM 848 O LEU A 55 2.886 13.594 8.024 1.00 73.24 O ATOM 849 CB LEU A 55 5.335 11.106 7.980 1.00 12.43 C ATOM 850 CG LEU A 55 5.722 9.643 7.766 1.00 60.23 C ATOM 851 CD1 LEU A 55 7.233 9.478 7.810 1.00 2.43 C ATOM 852 CD2 LEU A 55 5.056 8.757 8.808 1.00 23.34 C ATOM 0 H LEU A 55 4.504 11.157 5.469 1.00 53.31 H new ATOM 0 HA LEU A 55 3.189 11.109 8.118 1.00 5.42 H new ATOM 0 HB2 LEU A 55 6.085 11.734 7.499 1.00 12.43 H new ATOM 0 HB3 LEU A 55 5.378 11.320 9.048 1.00 12.43 H new ATOM 0 HG LEU A 55 5.373 9.336 6.780 1.00 60.23 H new ATOM 0 HD11 LEU A 55 7.489 8.430 7.656 1.00 2.43 H new ATOM 0 HD12 LEU A 55 7.688 10.082 7.025 1.00 2.43 H new ATOM 0 HD13 LEU A 55 7.606 9.804 8.781 1.00 2.43 H new ATOM 0 HD21 LEU A 55 5.343 7.719 8.640 1.00 23.34 H new ATOM 0 HD22 LEU A 55 5.374 9.065 9.804 1.00 23.34 H new ATOM 0 HD23 LEU A 55 3.973 8.852 8.728 1.00 23.34 H new ATOM 864 N ILE A 56 4.796 13.708 6.839 1.00 73.12 N ATOM 865 CA ILE A 56 4.793 15.164 6.768 1.00 72.20 C ATOM 866 C ILE A 56 4.927 15.644 5.327 1.00 40.30 C ATOM 867 O ILE A 56 5.445 14.929 4.470 1.00 24.02 O ATOM 868 CB ILE A 56 5.932 15.771 7.608 1.00 63.42 C ATOM 869 CG1 ILE A 56 5.747 17.283 7.741 1.00 10.53 C ATOM 870 CG2 ILE A 56 7.281 15.450 6.981 1.00 71.10 C ATOM 871 CD1 ILE A 56 6.813 17.951 8.582 1.00 52.03 C ATOM 0 H ILE A 56 5.588 13.264 6.373 1.00 73.12 H new ATOM 0 HA ILE A 56 3.837 15.498 7.172 1.00 72.20 H new ATOM 0 HB ILE A 56 5.902 15.331 8.605 1.00 63.42 H new ATOM 0 HG12 ILE A 56 5.747 17.730 6.747 1.00 10.53 H new ATOM 0 HG13 ILE A 56 4.770 17.484 8.181 1.00 10.53 H new ATOM 0 HG21 ILE A 56 8.076 15.886 7.586 1.00 71.10 H new ATOM 0 HG22 ILE A 56 7.412 14.369 6.933 1.00 71.10 H new ATOM 0 HG23 ILE A 56 7.322 15.865 5.974 1.00 71.10 H new ATOM 0 HD11 ILE A 56 6.618 19.022 8.633 1.00 52.03 H new ATOM 0 HD12 ILE A 56 6.799 17.532 9.588 1.00 52.03 H new ATOM 0 HD13 ILE A 56 7.791 17.781 8.132 1.00 52.03 H new ATOM 883 N GLN A 57 4.458 16.861 5.068 1.00 32.45 N ATOM 884 CA GLN A 57 4.527 17.437 3.731 1.00 52.11 C ATOM 885 C GLN A 57 5.863 18.138 3.508 1.00 31.04 C ATOM 886 O GLN A 57 6.625 18.385 4.443 1.00 1.41 O ATOM 887 CB GLN A 57 3.378 18.424 3.518 1.00 11.43 C ATOM 888 CG GLN A 57 2.235 17.859 2.691 1.00 31.20 C ATOM 889 CD GLN A 57 1.156 18.886 2.407 1.00 64.43 C ATOM 890 OE1 GLN A 57 1.114 19.476 1.327 1.00 61.32 O ATOM 891 NE2 GLN A 57 0.277 19.105 3.377 1.00 74.51 N ATOM 0 H GLN A 57 4.027 17.466 5.766 1.00 32.45 H new ATOM 0 HA GLN A 57 4.438 16.626 3.009 1.00 52.11 H new ATOM 0 HB2 GLN A 57 2.993 18.736 4.489 1.00 11.43 H new ATOM 0 HB3 GLN A 57 3.764 19.317 3.027 1.00 11.43 H new ATOM 0 HG2 GLN A 57 2.627 17.480 1.747 1.00 31.20 H new ATOM 0 HG3 GLN A 57 1.795 17.012 3.217 1.00 31.20 H new ATOM 0 HE21 GLN A 57 0.350 18.593 4.256 1.00 74.51 H new ATOM 0 HE22 GLN A 57 -0.471 19.785 3.243 1.00 74.51 H new ATOM 900 N PRO A 58 6.156 18.466 2.241 1.00 32.03 N ATOM 901 CA PRO A 58 7.401 19.143 1.866 1.00 12.14 C ATOM 902 C PRO A 58 7.445 20.587 2.354 1.00 55.43 C ATOM 903 O PRO A 58 8.456 21.041 2.887 1.00 45.13 O ATOM 904 CB PRO A 58 7.384 19.095 0.337 1.00 52.25 C ATOM 905 CG PRO A 58 5.942 18.996 -0.023 1.00 74.14 C ATOM 906 CD PRO A 58 5.294 18.202 1.077 1.00 70.41 C ATOM 0 HA PRO A 58 8.274 18.666 2.311 1.00 12.14 H new ATOM 0 HB2 PRO A 58 7.839 19.988 -0.092 1.00 52.25 H new ATOM 0 HB3 PRO A 58 7.945 18.239 -0.038 1.00 52.25 H new ATOM 0 HG2 PRO A 58 5.492 19.985 -0.107 1.00 74.14 H new ATOM 0 HG3 PRO A 58 5.813 18.504 -0.987 1.00 74.14 H new ATOM 0 HD2 PRO A 58 4.268 18.525 1.255 1.00 70.41 H new ATOM 0 HD3 PRO A 58 5.257 17.139 0.837 1.00 70.41 H new ATOM 914 N GLU A 59 6.340 21.304 2.167 1.00 23.23 N ATOM 915 CA GLU A 59 6.255 22.697 2.588 1.00 15.24 C ATOM 916 C GLU A 59 6.428 22.821 4.099 1.00 23.34 C ATOM 917 O GLU A 59 7.037 23.772 4.589 1.00 24.13 O ATOM 918 CB GLU A 59 4.912 23.299 2.168 1.00 71.45 C ATOM 919 CG GLU A 59 4.904 23.833 0.745 1.00 15.22 C ATOM 920 CD GLU A 59 3.504 23.951 0.175 1.00 74.15 C ATOM 921 OE1 GLU A 59 2.717 24.767 0.699 1.00 35.40 O ATOM 922 OE2 GLU A 59 3.195 23.228 -0.796 1.00 20.04 O ATOM 0 H GLU A 59 5.493 20.943 1.727 1.00 23.23 H new ATOM 0 HA GLU A 59 7.061 23.246 2.101 1.00 15.24 H new ATOM 0 HB2 GLU A 59 4.136 22.540 2.267 1.00 71.45 H new ATOM 0 HB3 GLU A 59 4.656 24.108 2.852 1.00 71.45 H new ATOM 0 HG2 GLU A 59 5.384 24.811 0.725 1.00 15.22 H new ATOM 0 HG3 GLU A 59 5.497 23.174 0.110 1.00 15.22 H new ATOM 929 N ASP A 60 5.888 21.853 4.832 1.00 63.11 N ATOM 930 CA ASP A 60 5.983 21.852 6.287 1.00 23.21 C ATOM 931 C ASP A 60 7.423 21.624 6.738 1.00 50.35 C ATOM 932 O ASP A 60 7.913 22.293 7.649 1.00 52.14 O ATOM 933 CB ASP A 60 5.074 20.773 6.878 1.00 24.10 C ATOM 934 CG ASP A 60 4.013 21.348 7.795 1.00 40.52 C ATOM 935 OD1 ASP A 60 4.283 22.384 8.439 1.00 21.23 O ATOM 936 OD2 ASP A 60 2.912 20.764 7.867 1.00 11.22 O ATOM 0 H ASP A 60 5.380 21.059 4.442 1.00 63.11 H new ATOM 0 HA ASP A 60 5.658 22.828 6.648 1.00 23.21 H new ATOM 0 HB2 ASP A 60 4.592 20.225 6.068 1.00 24.10 H new ATOM 0 HB3 ASP A 60 5.679 20.056 7.432 1.00 24.10 H new ATOM 941 N LEU A 61 8.096 20.676 6.095 1.00 54.24 N ATOM 942 CA LEU A 61 9.480 20.359 6.429 1.00 13.25 C ATOM 943 C LEU A 61 10.409 21.505 6.044 1.00 4.54 C ATOM 944 O LEU A 61 11.459 21.699 6.657 1.00 25.33 O ATOM 945 CB LEU A 61 9.915 19.075 5.722 1.00 72.32 C ATOM 946 CG LEU A 61 10.665 19.257 4.402 1.00 61.21 C ATOM 947 CD1 LEU A 61 12.152 19.453 4.656 1.00 73.14 C ATOM 948 CD2 LEU A 61 10.431 18.064 3.487 1.00 62.24 C ATOM 0 H LEU A 61 7.705 20.113 5.339 1.00 54.24 H new ATOM 0 HA LEU A 61 9.543 20.211 7.507 1.00 13.25 H new ATOM 0 HB2 LEU A 61 10.550 18.507 6.402 1.00 72.32 H new ATOM 0 HB3 LEU A 61 9.028 18.470 5.533 1.00 72.32 H new ATOM 0 HG LEU A 61 10.281 20.149 3.908 1.00 61.21 H new ATOM 0 HD11 LEU A 61 12.670 19.581 3.705 1.00 73.14 H new ATOM 0 HD12 LEU A 61 12.302 20.339 5.273 1.00 73.14 H new ATOM 0 HD13 LEU A 61 12.551 18.580 5.172 1.00 73.14 H new ATOM 0 HD21 LEU A 61 10.972 18.211 2.552 1.00 62.24 H new ATOM 0 HD22 LEU A 61 10.787 17.156 3.974 1.00 62.24 H new ATOM 0 HD23 LEU A 61 9.365 17.969 3.278 1.00 62.24 H new ATOM 960 N ARG A 62 10.015 22.264 5.027 1.00 40.01 N ATOM 961 CA ARG A 62 10.813 23.392 4.561 1.00 55.01 C ATOM 962 C ARG A 62 11.035 24.401 5.684 1.00 43.03 C ATOM 963 O ARG A 62 12.138 24.923 5.853 1.00 35.43 O ATOM 964 CB ARG A 62 10.126 24.075 3.376 1.00 21.53 C ATOM 965 CG ARG A 62 10.801 25.365 2.942 1.00 10.54 C ATOM 966 CD ARG A 62 12.197 25.108 2.397 1.00 50.20 C ATOM 967 NE ARG A 62 13.233 25.404 3.383 1.00 51.11 N ATOM 968 CZ ARG A 62 13.670 26.631 3.644 1.00 33.04 C ATOM 969 NH1 ARG A 62 13.163 27.671 2.997 1.00 73.22 N ATOM 970 NH2 ARG A 62 14.615 26.820 4.556 1.00 64.31 N ATOM 0 H ARG A 62 9.148 22.118 4.510 1.00 40.01 H new ATOM 0 HA ARG A 62 11.783 23.011 4.240 1.00 55.01 H new ATOM 0 HB2 ARG A 62 10.104 23.385 2.533 1.00 21.53 H new ATOM 0 HB3 ARG A 62 9.090 24.288 3.641 1.00 21.53 H new ATOM 0 HG2 ARG A 62 10.196 25.854 2.179 1.00 10.54 H new ATOM 0 HG3 ARG A 62 10.860 26.049 3.789 1.00 10.54 H new ATOM 0 HD2 ARG A 62 12.279 24.066 2.087 1.00 50.20 H new ATOM 0 HD3 ARG A 62 12.357 25.719 1.508 1.00 50.20 H new ATOM 0 HE ARG A 62 13.643 24.626 3.899 1.00 51.11 H new ATOM 0 HH11 ARG A 62 12.435 27.530 2.296 1.00 73.22 H new ATOM 0 HH12 ARG A 62 13.501 28.612 3.200 1.00 73.22 H new ATOM 0 HH21 ARG A 62 15.007 26.023 5.057 1.00 64.31 H new ATOM 0 HH22 ARG A 62 14.950 27.763 4.756 1.00 64.31 H new ATOM 984 N ASP A 63 9.982 24.671 6.447 1.00 40.23 N ATOM 985 CA ASP A 63 10.062 25.617 7.554 1.00 43.23 C ATOM 986 C ASP A 63 10.993 25.098 8.645 1.00 11.44 C ATOM 987 O ASP A 63 11.609 25.878 9.373 1.00 63.04 O ATOM 988 CB ASP A 63 8.671 25.876 8.133 1.00 13.31 C ATOM 989 CG ASP A 63 8.725 26.537 9.497 1.00 61.24 C ATOM 990 OD1 ASP A 63 8.862 27.777 9.550 1.00 61.33 O ATOM 991 OD2 ASP A 63 8.632 25.814 10.511 1.00 75.43 O ATOM 0 H ASP A 63 9.063 24.248 6.319 1.00 40.23 H new ATOM 0 HA ASP A 63 10.467 26.554 7.171 1.00 43.23 H new ATOM 0 HB2 ASP A 63 8.108 26.509 7.448 1.00 13.31 H new ATOM 0 HB3 ASP A 63 8.132 24.932 8.211 1.00 13.31 H new ATOM 996 N HIS A 64 11.089 23.777 8.755 1.00 1.14 N ATOM 997 CA HIS A 64 11.944 23.154 9.759 1.00 24.22 C ATOM 998 C HIS A 64 13.417 23.392 9.442 1.00 45.24 C ATOM 999 O HIS A 64 14.229 23.616 10.340 1.00 33.32 O ATOM 1000 CB HIS A 64 11.664 21.653 9.838 1.00 71.23 C ATOM 1001 CG HIS A 64 11.739 21.101 11.228 1.00 14.53 C ATOM 1002 ND1 HIS A 64 12.788 21.359 12.085 1.00 40.42 N ATOM 1003 CD2 HIS A 64 10.885 20.303 11.911 1.00 22.10 C ATOM 1004 CE1 HIS A 64 12.578 20.742 13.234 1.00 72.14 C ATOM 1005 NE2 HIS A 64 11.430 20.094 13.154 1.00 15.03 N ATOM 0 H HIS A 64 10.586 23.118 8.162 1.00 1.14 H new ATOM 0 HA HIS A 64 11.720 23.609 10.724 1.00 24.22 H new ATOM 0 HB2 HIS A 64 10.673 21.455 9.431 1.00 71.23 H new ATOM 0 HB3 HIS A 64 12.379 21.125 9.207 1.00 71.23 H new ATOM 0 HD1 HIS A 64 13.600 21.936 11.866 1.00 40.42 H new ATOM 0 HD2 HIS A 64 9.950 19.905 11.546 1.00 22.10 H new ATOM 0 HE1 HIS A 64 13.233 20.764 14.092 1.00 72.14 H new ATOM 1013 N VAL A 65 13.757 23.342 8.157 1.00 13.12 N ATOM 1014 CA VAL A 65 15.132 23.553 7.721 1.00 72.11 C ATOM 1015 C VAL A 65 15.616 24.951 8.087 1.00 4.21 C ATOM 1016 O VAL A 65 16.719 25.121 8.606 1.00 35.15 O ATOM 1017 CB VAL A 65 15.275 23.354 6.200 1.00 31.33 C ATOM 1018 CG1 VAL A 65 16.734 23.454 5.784 1.00 64.54 C ATOM 1019 CG2 VAL A 65 14.682 22.017 5.780 1.00 2.14 C ATOM 0 H VAL A 65 13.098 23.157 7.400 1.00 13.12 H new ATOM 0 HA VAL A 65 15.745 22.813 8.236 1.00 72.11 H new ATOM 0 HB VAL A 65 14.723 24.145 5.693 1.00 31.33 H new ATOM 0 HG11 VAL A 65 16.816 23.311 4.707 1.00 64.54 H new ATOM 0 HG12 VAL A 65 17.122 24.437 6.050 1.00 64.54 H new ATOM 0 HG13 VAL A 65 17.312 22.685 6.297 1.00 64.54 H new ATOM 0 HG21 VAL A 65 14.792 21.893 4.703 1.00 2.14 H new ATOM 0 HG22 VAL A 65 15.205 21.210 6.293 1.00 2.14 H new ATOM 0 HG23 VAL A 65 13.625 21.989 6.043 1.00 2.14 H new ATOM 1029 N ASN A 66 14.784 25.951 7.813 1.00 62.42 N ATOM 1030 CA ASN A 66 15.128 27.336 8.113 1.00 32.34 C ATOM 1031 C ASN A 66 15.259 27.549 9.618 1.00 11.34 C ATOM 1032 O ASN A 66 15.953 28.461 10.068 1.00 0.22 O ATOM 1033 CB ASN A 66 14.069 28.281 7.543 1.00 15.12 C ATOM 1034 CG ASN A 66 14.124 29.659 8.174 1.00 53.10 C ATOM 1035 OD1 ASN A 66 15.043 30.436 7.916 1.00 64.32 O ATOM 1036 ND2 ASN A 66 13.136 29.969 9.006 1.00 24.54 N ATOM 0 H ASN A 66 13.867 25.828 7.384 1.00 62.42 H new ATOM 0 HA ASN A 66 16.089 27.555 7.648 1.00 32.34 H new ATOM 0 HB2 ASN A 66 14.209 28.372 6.466 1.00 15.12 H new ATOM 0 HB3 ASN A 66 13.080 27.851 7.701 1.00 15.12 H new ATOM 0 HD21 ASN A 66 13.119 30.882 9.460 1.00 24.54 H new ATOM 0 HD22 ASN A 66 12.394 29.294 9.191 1.00 24.54 H new ATOM 1043 N ASP A 67 14.588 26.702 10.391 1.00 1.11 N ATOM 1044 CA ASP A 67 14.631 26.796 11.846 1.00 54.43 C ATOM 1045 C ASP A 67 16.066 26.706 12.354 1.00 11.35 C ATOM 1046 O ASP A 67 16.378 27.176 13.448 1.00 14.13 O ATOM 1047 CB ASP A 67 13.783 25.690 12.475 1.00 71.42 C ATOM 1048 CG ASP A 67 13.363 26.018 13.894 1.00 21.21 C ATOM 1049 OD1 ASP A 67 13.875 27.012 14.449 1.00 41.32 O ATOM 1050 OD2 ASP A 67 12.523 25.280 14.451 1.00 62.55 O ATOM 0 H ASP A 67 14.008 25.943 10.034 1.00 1.11 H new ATOM 0 HA ASP A 67 14.223 27.764 12.135 1.00 54.43 H new ATOM 0 HB2 ASP A 67 12.895 25.526 11.865 1.00 71.42 H new ATOM 0 HB3 ASP A 67 14.348 24.758 12.473 1.00 71.42 H new ATOM 1055 N MET A 68 16.935 26.099 11.554 1.00 61.54 N ATOM 1056 CA MET A 68 18.338 25.947 11.923 1.00 34.03 C ATOM 1057 C MET A 68 19.056 27.292 11.894 1.00 50.31 C ATOM 1058 O MET A 68 20.168 27.424 12.403 1.00 43.13 O ATOM 1059 CB MET A 68 19.033 24.964 10.979 1.00 34.24 C ATOM 1060 CG MET A 68 18.598 23.521 11.178 1.00 63.32 C ATOM 1061 SD MET A 68 18.983 22.900 12.827 1.00 54.15 S ATOM 1062 CE MET A 68 20.730 23.280 12.933 1.00 54.52 C ATOM 0 H MET A 68 16.693 25.704 10.645 1.00 61.54 H new ATOM 0 HA MET A 68 18.380 25.554 12.939 1.00 34.03 H new ATOM 0 HB2 MET A 68 18.831 25.257 9.949 1.00 34.24 H new ATOM 0 HB3 MET A 68 20.111 25.033 11.124 1.00 34.24 H new ATOM 0 HG2 MET A 68 17.525 23.442 11.006 1.00 63.32 H new ATOM 0 HG3 MET A 68 19.087 22.892 10.434 1.00 63.32 H new ATOM 0 HE1 MET A 68 21.276 22.394 13.256 1.00 54.52 H new ATOM 0 HE2 MET A 68 21.094 23.594 11.955 1.00 54.52 H new ATOM 0 HE3 MET A 68 20.884 24.084 13.653 1.00 54.52 H new ATOM 1072 N GLY A 69 18.412 28.289 11.294 1.00 1.33 N ATOM 1073 CA GLY A 69 19.006 29.611 11.210 1.00 75.13 C ATOM 1074 C GLY A 69 19.875 29.779 9.979 1.00 33.52 C ATOM 1075 O GLY A 69 20.640 30.738 9.877 1.00 71.43 O ATOM 0 H GLY A 69 17.490 28.205 10.865 1.00 1.33 H new ATOM 0 HA2 GLY A 69 18.215 30.361 11.198 1.00 75.13 H new ATOM 0 HA3 GLY A 69 19.605 29.794 12.102 1.00 75.13 H new ATOM 1079 N PHE A 70 19.759 28.843 9.043 1.00 70.40 N ATOM 1080 CA PHE A 70 20.543 28.889 7.814 1.00 13.41 C ATOM 1081 C PHE A 70 19.804 29.665 6.727 1.00 22.02 C ATOM 1082 O PHE A 70 18.692 30.146 6.941 1.00 0.12 O ATOM 1083 CB PHE A 70 20.850 27.472 7.326 1.00 40.22 C ATOM 1084 CG PHE A 70 22.068 26.869 7.965 1.00 42.13 C ATOM 1085 CD1 PHE A 70 23.321 27.043 7.400 1.00 42.43 C ATOM 1086 CD2 PHE A 70 21.960 26.127 9.130 1.00 1.30 C ATOM 1087 CE1 PHE A 70 24.444 26.490 7.985 1.00 24.03 C ATOM 1088 CE2 PHE A 70 23.080 25.572 9.720 1.00 33.12 C ATOM 1089 CZ PHE A 70 24.323 25.752 9.147 1.00 41.45 C ATOM 0 H PHE A 70 19.130 28.043 9.112 1.00 70.40 H new ATOM 0 HA PHE A 70 21.480 29.402 8.029 1.00 13.41 H new ATOM 0 HB2 PHE A 70 19.990 26.833 7.527 1.00 40.22 H new ATOM 0 HB3 PHE A 70 20.988 27.490 6.245 1.00 40.22 H new ATOM 0 HD1 PHE A 70 23.421 27.618 6.491 1.00 42.43 H new ATOM 0 HD2 PHE A 70 20.990 25.981 9.582 1.00 1.30 H new ATOM 0 HE1 PHE A 70 25.415 26.634 7.535 1.00 24.03 H new ATOM 0 HE2 PHE A 70 22.983 24.997 10.629 1.00 33.12 H new ATOM 0 HZ PHE A 70 25.199 25.317 9.606 1.00 41.45 H new ATOM 1099 N GLU A 71 20.432 29.782 5.561 1.00 22.24 N ATOM 1100 CA GLU A 71 19.835 30.500 4.442 1.00 42.15 C ATOM 1101 C GLU A 71 19.358 29.530 3.365 1.00 64.42 C ATOM 1102 O GLU A 71 18.925 29.943 2.290 1.00 64.14 O ATOM 1103 CB GLU A 71 20.841 31.487 3.845 1.00 23.31 C ATOM 1104 CG GLU A 71 20.224 32.813 3.436 1.00 54.22 C ATOM 1105 CD GLU A 71 19.838 33.669 4.627 1.00 50.24 C ATOM 1106 OE1 GLU A 71 20.750 34.183 5.307 1.00 24.03 O ATOM 1107 OE2 GLU A 71 18.625 33.825 4.878 1.00 51.22 O ATOM 0 H GLU A 71 21.353 29.389 5.367 1.00 22.24 H new ATOM 0 HA GLU A 71 18.973 31.052 4.817 1.00 42.15 H new ATOM 0 HB2 GLU A 71 21.631 31.673 4.573 1.00 23.31 H new ATOM 0 HB3 GLU A 71 21.311 31.031 2.974 1.00 23.31 H new ATOM 0 HG2 GLU A 71 20.931 33.361 2.813 1.00 54.22 H new ATOM 0 HG3 GLU A 71 19.340 32.626 2.826 1.00 54.22 H new ATOM 1114 N ALA A 72 19.442 28.237 3.662 1.00 2.14 N ATOM 1115 CA ALA A 72 19.018 27.208 2.722 1.00 64.53 C ATOM 1116 C ALA A 72 17.692 27.575 2.066 1.00 15.33 C ATOM 1117 O ALA A 72 16.774 28.058 2.729 1.00 10.21 O ATOM 1118 CB ALA A 72 18.907 25.863 3.425 1.00 0.14 C ATOM 0 H ALA A 72 19.800 27.878 4.547 1.00 2.14 H new ATOM 0 HA ALA A 72 19.772 27.135 1.939 1.00 64.53 H new ATOM 0 HB1 ALA A 72 18.589 25.104 2.710 1.00 0.14 H new ATOM 0 HB2 ALA A 72 19.877 25.588 3.839 1.00 0.14 H new ATOM 0 HB3 ALA A 72 18.175 25.932 4.230 1.00 0.14 H new ATOM 1124 N ALA A 73 17.597 27.344 0.761 1.00 45.21 N ATOM 1125 CA ALA A 73 16.382 27.650 0.017 1.00 41.14 C ATOM 1126 C ALA A 73 16.045 26.534 -0.967 1.00 10.34 C ATOM 1127 O ALA A 73 16.932 25.828 -1.446 1.00 44.24 O ATOM 1128 CB ALA A 73 16.532 28.975 -0.717 1.00 33.14 C ATOM 0 H ALA A 73 18.348 26.946 0.197 1.00 45.21 H new ATOM 0 HA ALA A 73 15.561 27.732 0.729 1.00 41.14 H new ATOM 0 HB1 ALA A 73 15.617 29.191 -1.269 1.00 33.14 H new ATOM 0 HB2 ALA A 73 16.718 29.771 0.004 1.00 33.14 H new ATOM 0 HB3 ALA A 73 17.369 28.913 -1.413 1.00 33.14 H new