USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 863 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 4 CYS SG : rot -84:sc= 0.299 USER MOD Set 1.2: A 64 THR OG1 : rot 175:sc= 0.494 USER MOD Single : A 1 MET CE :methyl 173:sc= -7.38! (180deg=-7.7!) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.0454 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -174:sc= -0.814 (180deg=-1) USER MOD Single : A 7 TYR OH : rot 130:sc= -0.757 USER MOD Single : A 8 ASN : amide:sc= -1.93 K(o=-1.9,f=-6.8!) USER MOD Single : A 10 SER OG : rot -97:sc= 0.84 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 41:sc= -0.0114 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 110:sc= -1.58 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 30:sc= -0.888 USER MOD Single : A 40 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.5) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 164:sc= -1.46 (180deg=-2.36) USER MOD Single : A 46 MET CE :methyl -160:sc= -0.088 (180deg=-0.559) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 24:sc= 1.68 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= -2.24! (180deg=-2.3!) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.246 F(o=-2.8!,f=-0.25) USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= -0.31 (180deg=-1.32!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -135:sc= -2.98! (180deg=-10.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 88 MET CE :methyl -152:sc= -5.77! (180deg=-6.88!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -155:sc= -0.179 (180deg=-0.762) USER MOD Single : A 95 THR OG1 : rot 95:sc= 1.28 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -103:sc= 0 (180deg=-0.424) USER MOD Single : A 101 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.8!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.470 -0.641 0.300 1.00 52.44 N ATOM 2 CA MET A 1 2.197 -0.156 -0.868 1.00 10.01 C ATOM 3 C MET A 1 3.537 -0.871 -1.009 1.00 41.31 C ATOM 4 O MET A 1 4.069 -1.413 -0.039 1.00 41.45 O ATOM 5 CB MET A 1 2.419 1.354 -0.766 1.00 44.21 C ATOM 6 CG MET A 1 2.484 2.051 -2.115 1.00 52.43 C ATOM 7 SD MET A 1 3.360 3.626 -2.043 1.00 35.24 S ATOM 8 CE MET A 1 4.917 3.114 -1.321 1.00 13.04 C ATOM 0 H1 MET A 1 0.576 -1.076 -0.004 1.00 52.44 H new ATOM 0 H2 MET A 1 2.047 -1.348 0.799 1.00 52.44 H new ATOM 0 H3 MET A 1 1.268 0.155 0.939 1.00 52.44 H new ATOM 0 HA MET A 1 1.597 -0.368 -1.753 1.00 10.01 H new ATOM 0 HB2 MET A 1 1.613 1.793 -0.178 1.00 44.21 H new ATOM 0 HB3 MET A 1 3.346 1.541 -0.225 1.00 44.21 H new ATOM 0 HG2 MET A 1 2.978 1.397 -2.834 1.00 52.43 H new ATOM 0 HG3 MET A 1 1.471 2.220 -2.482 1.00 52.43 H new ATOM 0 HE1 MET A 1 5.614 3.952 -1.326 1.00 13.04 H new ATOM 0 HE2 MET A 1 4.752 2.786 -0.295 1.00 13.04 H new ATOM 0 HE3 MET A 1 5.334 2.292 -1.902 1.00 13.04 H new ATOM 18 N THR A 2 4.079 -0.869 -2.223 1.00 50.11 N ATOM 19 CA THR A 2 5.356 -1.518 -2.491 1.00 71.21 C ATOM 20 C THR A 2 6.469 -0.491 -2.664 1.00 62.42 C ATOM 21 O THR A 2 6.322 0.480 -3.407 1.00 12.21 O ATOM 22 CB THR A 2 5.285 -2.399 -3.753 1.00 15.21 C ATOM 23 OG1 THR A 2 4.362 -3.475 -3.548 1.00 4.12 O ATOM 24 CG2 THR A 2 6.656 -2.958 -4.101 1.00 33.55 C ATOM 0 H THR A 2 3.653 -0.425 -3.036 1.00 50.11 H new ATOM 0 HA THR A 2 5.577 -2.148 -1.629 1.00 71.21 H new ATOM 0 HB THR A 2 4.942 -1.780 -4.582 1.00 15.21 H new ATOM 0 HG1 THR A 2 4.321 -4.029 -4.355 1.00 4.12 H new ATOM 0 HG21 THR A 2 6.580 -3.577 -4.995 1.00 33.55 H new ATOM 0 HG22 THR A 2 7.348 -2.136 -4.286 1.00 33.55 H new ATOM 0 HG23 THR A 2 7.024 -3.562 -3.272 1.00 33.55 H new ATOM 32 N LEU A 3 7.583 -0.712 -1.975 1.00 64.24 N ATOM 33 CA LEU A 3 8.724 0.194 -2.054 1.00 14.54 C ATOM 34 C LEU A 3 9.952 -0.522 -2.606 1.00 10.23 C ATOM 35 O LEU A 3 10.318 -1.600 -2.136 1.00 13.23 O ATOM 36 CB LEU A 3 9.035 0.774 -0.673 1.00 10.32 C ATOM 37 CG LEU A 3 9.008 2.299 -0.564 1.00 1.35 C ATOM 38 CD1 LEU A 3 8.066 2.892 -1.600 1.00 43.20 C ATOM 39 CD2 LEU A 3 8.598 2.726 0.838 1.00 3.44 C ATOM 0 H LEU A 3 7.721 -1.510 -1.355 1.00 64.24 H new ATOM 0 HA LEU A 3 8.465 1.006 -2.733 1.00 14.54 H new ATOM 0 HB2 LEU A 3 8.319 0.366 0.040 1.00 10.32 H new ATOM 0 HB3 LEU A 3 10.022 0.425 -0.368 1.00 10.32 H new ATOM 0 HG LEU A 3 10.012 2.676 -0.758 1.00 1.35 H new ATOM 0 HD11 LEU A 3 8.060 3.978 -1.507 1.00 43.20 H new ATOM 0 HD12 LEU A 3 8.403 2.615 -2.599 1.00 43.20 H new ATOM 0 HD13 LEU A 3 7.059 2.508 -1.438 1.00 43.20 H new ATOM 0 HD21 LEU A 3 8.584 3.814 0.897 1.00 3.44 H new ATOM 0 HD22 LEU A 3 7.604 2.338 1.061 1.00 3.44 H new ATOM 0 HD23 LEU A 3 9.312 2.332 1.562 1.00 3.44 H new ATOM 51 N CYS A 4 10.585 0.085 -3.603 1.00 64.13 N ATOM 52 CA CYS A 4 11.774 -0.494 -4.219 1.00 22.33 C ATOM 53 C CYS A 4 12.971 0.440 -4.074 1.00 23.31 C ATOM 54 O CYS A 4 12.816 1.659 -4.017 1.00 44.24 O ATOM 55 CB CYS A 4 11.517 -0.788 -5.697 1.00 51.34 C ATOM 56 SG CYS A 4 12.948 -0.505 -6.766 1.00 31.40 S ATOM 0 H CYS A 4 10.295 0.978 -4.002 1.00 64.13 H new ATOM 0 HA CYS A 4 12.001 -1.428 -3.705 1.00 22.33 H new ATOM 0 HB2 CYS A 4 11.200 -1.826 -5.800 1.00 51.34 H new ATOM 0 HB3 CYS A 4 10.691 -0.166 -6.042 1.00 51.34 H new ATOM 0 HG CYS A 4 13.006 0.753 -7.090 1.00 31.40 H new ATOM 62 N ALA A 5 14.165 -0.142 -4.013 1.00 12.43 N ATOM 63 CA ALA A 5 15.388 0.638 -3.875 1.00 3.53 C ATOM 64 C ALA A 5 16.472 0.131 -4.820 1.00 3.43 C ATOM 65 O ALA A 5 16.624 -1.074 -5.015 1.00 61.11 O ATOM 66 CB ALA A 5 15.880 0.599 -2.435 1.00 53.12 C ATOM 0 H ALA A 5 14.310 -1.151 -4.057 1.00 12.43 H new ATOM 0 HA ALA A 5 15.163 1.670 -4.143 1.00 3.53 H new ATOM 0 HB1 ALA A 5 16.794 1.186 -2.347 1.00 53.12 H new ATOM 0 HB2 ALA A 5 15.116 1.016 -1.778 1.00 53.12 H new ATOM 0 HB3 ALA A 5 16.082 -0.433 -2.147 1.00 53.12 H new ATOM 72 N MET A 6 17.223 1.059 -5.404 1.00 50.41 N ATOM 73 CA MET A 6 18.294 0.705 -6.329 1.00 15.12 C ATOM 74 C MET A 6 19.652 1.121 -5.773 1.00 32.01 C ATOM 75 O MET A 6 19.876 2.292 -5.467 1.00 13.41 O ATOM 76 CB MET A 6 18.062 1.367 -7.689 1.00 33.44 C ATOM 77 CG MET A 6 18.996 0.863 -8.777 1.00 33.42 C ATOM 78 SD MET A 6 18.939 1.878 -10.266 1.00 22.22 S ATOM 79 CE MET A 6 17.754 0.966 -11.252 1.00 51.51 C ATOM 0 H MET A 6 17.110 2.061 -5.253 1.00 50.41 H new ATOM 0 HA MET A 6 18.289 -0.378 -6.455 1.00 15.12 H new ATOM 0 HB2 MET A 6 17.031 1.193 -7.997 1.00 33.44 H new ATOM 0 HB3 MET A 6 18.186 2.445 -7.585 1.00 33.44 H new ATOM 0 HG2 MET A 6 20.016 0.843 -8.394 1.00 33.42 H new ATOM 0 HG3 MET A 6 18.731 -0.163 -9.031 1.00 33.42 H new ATOM 0 HE1 MET A 6 17.690 1.409 -12.246 1.00 51.51 H new ATOM 0 HE2 MET A 6 18.074 -0.072 -11.337 1.00 51.51 H new ATOM 0 HE3 MET A 6 16.775 1.006 -10.774 1.00 51.51 H new ATOM 89 N TYR A 7 20.554 0.155 -5.645 1.00 24.12 N ATOM 90 CA TYR A 7 21.890 0.421 -5.123 1.00 73.21 C ATOM 91 C TYR A 7 22.960 -0.001 -6.125 1.00 41.01 C ATOM 92 O TYR A 7 22.787 -0.970 -6.864 1.00 4.44 O ATOM 93 CB TYR A 7 22.098 -0.314 -3.798 1.00 30.11 C ATOM 94 CG TYR A 7 22.497 -1.763 -3.965 1.00 40.11 C ATOM 95 CD1 TYR A 7 21.539 -2.751 -4.152 1.00 35.00 C ATOM 96 CD2 TYR A 7 23.833 -2.143 -3.937 1.00 62.32 C ATOM 97 CE1 TYR A 7 21.899 -4.076 -4.304 1.00 53.14 C ATOM 98 CE2 TYR A 7 24.203 -3.466 -4.090 1.00 52.32 C ATOM 99 CZ TYR A 7 23.232 -4.428 -4.273 1.00 71.20 C ATOM 100 OH TYR A 7 23.595 -5.747 -4.426 1.00 11.31 O ATOM 0 H TYR A 7 20.385 -0.819 -5.895 1.00 24.12 H new ATOM 0 HA TYR A 7 21.980 1.494 -4.954 1.00 73.21 H new ATOM 0 HB2 TYR A 7 22.867 0.202 -3.223 1.00 30.11 H new ATOM 0 HB3 TYR A 7 21.178 -0.264 -3.216 1.00 30.11 H new ATOM 0 HD1 TYR A 7 20.494 -2.479 -4.179 1.00 35.00 H new ATOM 0 HD2 TYR A 7 24.596 -1.392 -3.793 1.00 62.32 H new ATOM 0 HE1 TYR A 7 21.141 -4.832 -4.446 1.00 53.14 H new ATOM 0 HE2 TYR A 7 25.246 -3.745 -4.066 1.00 52.32 H new ATOM 0 HH TYR A 7 24.293 -5.817 -5.110 1.00 11.31 H new ATOM 110 N ASN A 8 24.067 0.734 -6.143 1.00 40.42 N ATOM 111 CA ASN A 8 25.167 0.438 -7.054 1.00 31.22 C ATOM 112 C ASN A 8 26.475 0.265 -6.288 1.00 44.44 C ATOM 113 O ASN A 8 26.779 1.035 -5.377 1.00 12.54 O ATOM 114 CB ASN A 8 25.313 1.553 -8.091 1.00 12.21 C ATOM 115 CG ASN A 8 26.040 2.764 -7.539 1.00 43.12 C ATOM 116 OD1 ASN A 8 25.417 3.713 -7.063 1.00 31.23 O ATOM 117 ND2 ASN A 8 27.366 2.737 -7.602 1.00 25.42 N ATOM 0 H ASN A 8 24.226 1.539 -5.537 1.00 40.42 H new ATOM 0 HA ASN A 8 24.940 -0.497 -7.567 1.00 31.22 H new ATOM 0 HB2 ASN A 8 25.854 1.171 -8.957 1.00 12.21 H new ATOM 0 HB3 ASN A 8 24.325 1.853 -8.439 1.00 12.21 H new ATOM 0 HD21 ASN A 8 27.910 3.524 -7.247 1.00 25.42 H new ATOM 0 HD22 ASN A 8 27.841 1.929 -8.005 1.00 25.42 H new ATOM 124 N ILE A 9 27.246 -0.749 -6.666 1.00 41.10 N ATOM 125 CA ILE A 9 28.522 -1.021 -6.017 1.00 23.04 C ATOM 126 C ILE A 9 29.685 -0.823 -6.984 1.00 15.12 C ATOM 127 O ILE A 9 29.664 -1.327 -8.106 1.00 62.44 O ATOM 128 CB ILE A 9 28.574 -2.455 -5.456 1.00 4.50 C ATOM 129 CG1 ILE A 9 27.989 -3.443 -6.467 1.00 41.51 C ATOM 130 CG2 ILE A 9 27.825 -2.534 -4.135 1.00 14.04 C ATOM 131 CD1 ILE A 9 26.496 -3.638 -6.326 1.00 53.44 C ATOM 0 H ILE A 9 27.009 -1.396 -7.418 1.00 41.10 H new ATOM 0 HA ILE A 9 28.614 -0.313 -5.193 1.00 23.04 H new ATOM 0 HB ILE A 9 29.616 -2.722 -5.277 1.00 4.50 H new ATOM 0 HG12 ILE A 9 28.208 -3.091 -7.475 1.00 41.51 H new ATOM 0 HG13 ILE A 9 28.486 -4.406 -6.351 1.00 41.51 H new ATOM 0 HG21 ILE A 9 27.871 -3.553 -3.751 1.00 14.04 H new ATOM 0 HG22 ILE A 9 28.283 -1.855 -3.416 1.00 14.04 H new ATOM 0 HG23 ILE A 9 26.784 -2.251 -4.290 1.00 14.04 H new ATOM 0 HD11 ILE A 9 26.150 -4.351 -7.074 1.00 53.44 H new ATOM 0 HD12 ILE A 9 26.271 -4.020 -5.330 1.00 53.44 H new ATOM 0 HD13 ILE A 9 25.989 -2.684 -6.472 1.00 53.44 H new ATOM 143 N SER A 10 30.698 -0.086 -6.540 1.00 31.34 N ATOM 144 CA SER A 10 31.869 0.180 -7.366 1.00 40.54 C ATOM 145 C SER A 10 33.113 -0.474 -6.773 1.00 41.24 C ATOM 146 O SER A 10 33.461 -0.237 -5.617 1.00 13.11 O ATOM 147 CB SER A 10 32.089 1.688 -7.505 1.00 52.13 C ATOM 148 OG SER A 10 32.798 1.993 -8.694 1.00 23.25 O ATOM 0 H SER A 10 30.731 0.337 -5.613 1.00 31.34 H new ATOM 0 HA SER A 10 31.691 -0.247 -8.353 1.00 40.54 H new ATOM 0 HB2 SER A 10 31.127 2.200 -7.510 1.00 52.13 H new ATOM 0 HB3 SER A 10 32.643 2.059 -6.642 1.00 52.13 H new ATOM 0 HG SER A 10 33.750 2.101 -8.489 1.00 23.25 H new ATOM 154 N MET A 11 33.779 -1.298 -7.575 1.00 24.41 N ATOM 155 CA MET A 11 34.986 -1.987 -7.130 1.00 52.34 C ATOM 156 C MET A 11 36.226 -1.142 -7.406 1.00 21.43 C ATOM 157 O MET A 11 37.340 -1.523 -7.047 1.00 33.34 O ATOM 158 CB MET A 11 35.112 -3.342 -7.829 1.00 31.15 C ATOM 159 CG MET A 11 35.325 -3.235 -9.330 1.00 13.02 C ATOM 160 SD MET A 11 33.813 -3.529 -10.268 1.00 64.23 S ATOM 161 CE MET A 11 34.169 -2.628 -11.774 1.00 42.45 C ATOM 0 H MET A 11 33.504 -1.505 -8.535 1.00 24.41 H new ATOM 0 HA MET A 11 34.908 -2.147 -6.055 1.00 52.34 H new ATOM 0 HB2 MET A 11 35.945 -3.891 -7.391 1.00 31.15 H new ATOM 0 HB3 MET A 11 34.211 -3.925 -7.639 1.00 31.15 H new ATOM 0 HG2 MET A 11 35.709 -2.243 -9.569 1.00 13.02 H new ATOM 0 HG3 MET A 11 36.085 -3.954 -9.638 1.00 13.02 H new ATOM 0 HE1 MET A 11 33.325 -2.715 -12.458 1.00 42.45 H new ATOM 0 HE2 MET A 11 34.338 -1.577 -11.538 1.00 42.45 H new ATOM 0 HE3 MET A 11 35.061 -3.043 -12.244 1.00 42.45 H new ATOM 171 N ALA A 12 36.025 0.005 -8.045 1.00 43.13 N ATOM 172 CA ALA A 12 37.127 0.903 -8.367 1.00 3.41 C ATOM 173 C ALA A 12 36.631 2.135 -9.117 1.00 32.22 C ATOM 174 O ALA A 12 35.434 2.421 -9.137 1.00 5.01 O ATOM 175 CB ALA A 12 38.181 0.173 -9.186 1.00 43.41 C ATOM 0 H ALA A 12 35.109 0.335 -8.350 1.00 43.13 H new ATOM 0 HA ALA A 12 37.576 1.236 -7.431 1.00 3.41 H new ATOM 0 HB1 ALA A 12 38.998 0.856 -9.419 1.00 43.41 H new ATOM 0 HB2 ALA A 12 38.566 -0.671 -8.614 1.00 43.41 H new ATOM 0 HB3 ALA A 12 37.735 -0.189 -10.112 1.00 43.41 H new ATOM 181 N GLY A 13 37.559 2.861 -9.733 1.00 13.34 N ATOM 182 CA GLY A 13 37.195 4.054 -10.475 1.00 2.32 C ATOM 183 C GLY A 13 36.742 3.743 -11.887 1.00 73.32 C ATOM 184 O GLY A 13 37.137 4.419 -12.837 1.00 11.13 O ATOM 0 H GLY A 13 38.556 2.644 -9.731 1.00 13.34 H new ATOM 0 HA2 GLY A 13 36.397 4.577 -9.948 1.00 2.32 H new ATOM 0 HA3 GLY A 13 38.049 4.730 -10.511 1.00 2.32 H new ATOM 188 N SER A 14 35.911 2.715 -12.027 1.00 72.31 N ATOM 189 CA SER A 14 35.407 2.311 -13.335 1.00 4.22 C ATOM 190 C SER A 14 33.902 2.071 -13.287 1.00 35.13 C ATOM 191 O SER A 14 33.329 1.855 -12.218 1.00 24.22 O ATOM 192 CB SER A 14 36.122 1.045 -13.812 1.00 3.54 C ATOM 193 OG SER A 14 37.491 1.302 -14.077 1.00 34.24 O ATOM 0 H SER A 14 35.572 2.147 -11.251 1.00 72.31 H new ATOM 0 HA SER A 14 35.606 3.119 -14.039 1.00 4.22 H new ATOM 0 HB2 SER A 14 36.035 0.267 -13.054 1.00 3.54 H new ATOM 0 HB3 SER A 14 35.638 0.668 -14.713 1.00 3.54 H new ATOM 0 HG SER A 14 37.926 0.477 -14.379 1.00 34.24 H new ATOM 199 N HIS A 15 33.265 2.110 -14.453 1.00 12.21 N ATOM 200 CA HIS A 15 31.825 1.896 -14.545 1.00 51.34 C ATOM 201 C HIS A 15 31.361 0.871 -13.515 1.00 72.14 C ATOM 202 O HIS A 15 31.560 -0.334 -13.670 1.00 70.20 O ATOM 203 CB HIS A 15 31.446 1.431 -15.952 1.00 4.02 C ATOM 204 CG HIS A 15 31.454 2.531 -16.969 1.00 22.52 C ATOM 205 ND1 HIS A 15 30.829 2.427 -18.194 1.00 3.34 N ATOM 206 CD2 HIS A 15 32.015 3.762 -16.937 1.00 14.23 C ATOM 207 CE1 HIS A 15 31.006 3.547 -18.872 1.00 4.24 C ATOM 208 NE2 HIS A 15 31.722 4.374 -18.131 1.00 22.12 N ATOM 0 H HIS A 15 33.723 2.288 -15.347 1.00 12.21 H new ATOM 0 HA HIS A 15 31.328 2.844 -14.338 1.00 51.34 H new ATOM 0 HB2 HIS A 15 32.139 0.651 -16.267 1.00 4.02 H new ATOM 0 HB3 HIS A 15 30.453 0.982 -15.922 1.00 4.02 H new ATOM 0 HD2 HIS A 15 32.587 4.185 -16.124 1.00 14.23 H new ATOM 0 HE1 HIS A 15 30.629 3.752 -19.863 1.00 4.24 H new ATOM 0 HE2 HIS A 15 32.010 5.314 -18.402 1.00 22.12 H new ATOM 216 N PRO A 16 30.728 1.358 -12.438 1.00 55.21 N ATOM 217 CA PRO A 16 30.222 0.501 -11.362 1.00 24.14 C ATOM 218 C PRO A 16 29.030 -0.342 -11.803 1.00 5.34 C ATOM 219 O PRO A 16 28.631 -0.310 -12.967 1.00 70.51 O ATOM 220 CB PRO A 16 29.801 1.500 -10.281 1.00 74.31 C ATOM 221 CG PRO A 16 29.506 2.758 -11.022 1.00 71.15 C ATOM 222 CD PRO A 16 30.455 2.784 -12.188 1.00 64.42 C ATOM 0 HA PRO A 16 30.970 -0.219 -11.029 1.00 24.14 H new ATOM 0 HB2 PRO A 16 28.926 1.147 -9.735 1.00 74.31 H new ATOM 0 HB3 PRO A 16 30.595 1.649 -9.549 1.00 74.31 H new ATOM 0 HG2 PRO A 16 28.470 2.777 -11.361 1.00 71.15 H new ATOM 0 HG3 PRO A 16 29.649 3.630 -10.383 1.00 71.15 H new ATOM 0 HD2 PRO A 16 30.009 3.266 -13.058 1.00 64.42 H new ATOM 0 HD3 PRO A 16 31.367 3.332 -11.952 1.00 64.42 H new ATOM 230 N THR A 17 28.465 -1.095 -10.865 1.00 34.14 N ATOM 231 CA THR A 17 27.319 -1.947 -11.157 1.00 14.24 C ATOM 232 C THR A 17 26.082 -1.486 -10.393 1.00 44.11 C ATOM 233 O THR A 17 26.123 -1.303 -9.176 1.00 4.41 O ATOM 234 CB THR A 17 27.608 -3.418 -10.803 1.00 55.02 C ATOM 235 OG1 THR A 17 28.738 -3.887 -11.546 1.00 60.42 O ATOM 236 CG2 THR A 17 26.400 -4.293 -11.101 1.00 75.31 C ATOM 0 H THR A 17 28.782 -1.132 -9.896 1.00 34.14 H new ATOM 0 HA THR A 17 27.132 -1.869 -12.228 1.00 14.24 H new ATOM 0 HB THR A 17 27.825 -3.477 -9.736 1.00 55.02 H new ATOM 0 HG1 THR A 17 28.917 -4.822 -11.314 1.00 60.42 H new ATOM 0 HG21 THR A 17 26.627 -5.327 -10.843 1.00 75.31 H new ATOM 0 HG22 THR A 17 25.549 -3.951 -10.512 1.00 75.31 H new ATOM 0 HG23 THR A 17 26.157 -4.229 -12.162 1.00 75.31 H new ATOM 244 N THR A 18 24.981 -1.300 -11.115 1.00 65.30 N ATOM 245 CA THR A 18 23.733 -0.860 -10.506 1.00 31.45 C ATOM 246 C THR A 18 22.737 -2.010 -10.402 1.00 12.43 C ATOM 247 O THR A 18 22.662 -2.860 -11.289 1.00 20.42 O ATOM 248 CB THR A 18 23.092 0.289 -11.306 1.00 14.14 C ATOM 249 OG1 THR A 18 24.110 1.077 -11.933 1.00 74.21 O ATOM 250 CG2 THR A 18 22.246 1.172 -10.401 1.00 14.12 C ATOM 0 H THR A 18 24.929 -1.448 -12.123 1.00 65.30 H new ATOM 0 HA THR A 18 23.978 -0.503 -9.506 1.00 31.45 H new ATOM 0 HB THR A 18 22.447 -0.145 -12.070 1.00 14.14 H new ATOM 0 HG1 THR A 18 23.694 1.804 -12.441 1.00 74.21 H new ATOM 0 HG21 THR A 18 21.803 1.977 -10.988 1.00 14.12 H new ATOM 0 HG22 THR A 18 21.454 0.576 -9.948 1.00 14.12 H new ATOM 0 HG23 THR A 18 22.873 1.597 -9.618 1.00 14.12 H new ATOM 258 N ILE A 19 21.973 -2.028 -9.314 1.00 65.33 N ATOM 259 CA ILE A 19 20.980 -3.073 -9.097 1.00 5.14 C ATOM 260 C ILE A 19 19.721 -2.508 -8.449 1.00 51.41 C ATOM 261 O ILE A 19 19.795 -1.645 -7.573 1.00 55.23 O ATOM 262 CB ILE A 19 21.537 -4.203 -8.210 1.00 50.22 C ATOM 263 CG1 ILE A 19 21.962 -5.394 -9.072 1.00 4.35 C ATOM 264 CG2 ILE A 19 20.500 -4.629 -7.182 1.00 73.23 C ATOM 265 CD1 ILE A 19 22.246 -6.647 -8.273 1.00 13.43 C ATOM 0 H ILE A 19 22.023 -1.332 -8.570 1.00 65.33 H new ATOM 0 HA ILE A 19 20.731 -3.480 -10.077 1.00 5.14 H new ATOM 0 HB ILE A 19 22.414 -3.831 -7.680 1.00 50.22 H new ATOM 0 HG12 ILE A 19 21.177 -5.606 -9.798 1.00 4.35 H new ATOM 0 HG13 ILE A 19 22.854 -5.123 -9.637 1.00 4.35 H new ATOM 0 HG21 ILE A 19 20.908 -5.428 -6.563 1.00 73.23 H new ATOM 0 HG22 ILE A 19 20.241 -3.778 -6.552 1.00 73.23 H new ATOM 0 HG23 ILE A 19 19.606 -4.987 -7.693 1.00 73.23 H new ATOM 0 HD11 ILE A 19 22.542 -7.450 -8.948 1.00 13.43 H new ATOM 0 HD12 ILE A 19 23.052 -6.453 -7.566 1.00 13.43 H new ATOM 0 HD13 ILE A 19 21.349 -6.942 -7.729 1.00 13.43 H new ATOM 277 N CYS A 20 18.567 -3.001 -8.884 1.00 53.51 N ATOM 278 CA CYS A 20 17.290 -2.545 -8.346 1.00 74.40 C ATOM 279 C CYS A 20 16.489 -3.715 -7.783 1.00 72.13 C ATOM 280 O CYS A 20 16.149 -4.653 -8.505 1.00 12.21 O ATOM 281 CB CYS A 20 16.481 -1.833 -9.431 1.00 15.44 C ATOM 282 SG CYS A 20 16.389 -2.734 -10.996 1.00 1.35 S ATOM 0 H CYS A 20 18.489 -3.716 -9.607 1.00 53.51 H new ATOM 0 HA CYS A 20 17.494 -1.844 -7.536 1.00 74.40 H new ATOM 0 HB2 CYS A 20 15.469 -1.663 -9.062 1.00 15.44 H new ATOM 0 HB3 CYS A 20 16.922 -0.853 -9.614 1.00 15.44 H new ATOM 0 HG CYS A 20 16.222 -4.001 -10.758 1.00 1.35 H new ATOM 288 N VAL A 21 16.192 -3.654 -6.489 1.00 72.10 N ATOM 289 CA VAL A 21 15.432 -4.708 -5.829 1.00 34.45 C ATOM 290 C VAL A 21 14.448 -4.127 -4.820 1.00 14.23 C ATOM 291 O VAL A 21 14.700 -3.080 -4.222 1.00 71.42 O ATOM 292 CB VAL A 21 16.361 -5.703 -5.108 1.00 32.20 C ATOM 293 CG1 VAL A 21 17.095 -6.575 -6.116 1.00 14.33 C ATOM 294 CG2 VAL A 21 17.345 -4.962 -4.215 1.00 53.15 C ATOM 0 H VAL A 21 16.466 -2.885 -5.877 1.00 72.10 H new ATOM 0 HA VAL A 21 14.881 -5.235 -6.608 1.00 34.45 H new ATOM 0 HB VAL A 21 15.752 -6.351 -4.478 1.00 32.20 H new ATOM 0 HG11 VAL A 21 17.746 -7.272 -5.588 1.00 14.33 H new ATOM 0 HG12 VAL A 21 16.371 -7.134 -6.709 1.00 14.33 H new ATOM 0 HG13 VAL A 21 17.694 -5.945 -6.774 1.00 14.33 H new ATOM 0 HG21 VAL A 21 17.993 -5.680 -3.713 1.00 53.15 H new ATOM 0 HG22 VAL A 21 17.950 -4.288 -4.821 1.00 53.15 H new ATOM 0 HG23 VAL A 21 16.797 -4.386 -3.470 1.00 53.15 H new ATOM 304 N VAL A 22 13.324 -4.813 -4.634 1.00 41.30 N ATOM 305 CA VAL A 22 12.302 -4.365 -3.696 1.00 34.42 C ATOM 306 C VAL A 22 12.814 -4.413 -2.261 1.00 31.13 C ATOM 307 O VAL A 22 13.723 -5.178 -1.941 1.00 2.02 O ATOM 308 CB VAL A 22 11.027 -5.224 -3.803 1.00 43.02 C ATOM 309 CG1 VAL A 22 10.410 -5.093 -5.187 1.00 62.33 C ATOM 310 CG2 VAL A 22 11.337 -6.679 -3.484 1.00 0.33 C ATOM 0 H VAL A 22 13.099 -5.681 -5.121 1.00 41.30 H new ATOM 0 HA VAL A 22 12.061 -3.335 -3.959 1.00 34.42 H new ATOM 0 HB VAL A 22 10.303 -4.862 -3.073 1.00 43.02 H new ATOM 0 HG11 VAL A 22 9.511 -5.706 -5.244 1.00 62.33 H new ATOM 0 HG12 VAL A 22 10.151 -4.051 -5.373 1.00 62.33 H new ATOM 0 HG13 VAL A 22 11.126 -5.428 -5.938 1.00 62.33 H new ATOM 0 HG21 VAL A 22 10.425 -7.271 -3.564 1.00 0.33 H new ATOM 0 HG22 VAL A 22 12.078 -7.056 -4.189 1.00 0.33 H new ATOM 0 HG23 VAL A 22 11.730 -6.753 -2.470 1.00 0.33 H new ATOM 320 N MET A 23 12.223 -3.591 -1.400 1.00 3.41 N ATOM 321 CA MET A 23 12.619 -3.540 0.003 1.00 62.32 C ATOM 322 C MET A 23 12.584 -4.931 0.628 1.00 71.32 C ATOM 323 O MET A 23 13.442 -5.279 1.439 1.00 20.50 O ATOM 324 CB MET A 23 11.701 -2.596 0.780 1.00 10.54 C ATOM 325 CG MET A 23 10.230 -2.966 0.689 1.00 33.54 C ATOM 326 SD MET A 23 9.657 -3.894 2.126 1.00 61.14 S ATOM 327 CE MET A 23 7.893 -3.935 1.821 1.00 74.23 C ATOM 0 H MET A 23 11.468 -2.951 -1.649 1.00 3.41 H new ATOM 0 HA MET A 23 13.641 -3.164 0.053 1.00 62.32 H new ATOM 0 HB2 MET A 23 12.002 -2.591 1.828 1.00 10.54 H new ATOM 0 HB3 MET A 23 11.836 -1.581 0.405 1.00 10.54 H new ATOM 0 HG2 MET A 23 9.636 -2.057 0.588 1.00 33.54 H new ATOM 0 HG3 MET A 23 10.063 -3.558 -0.211 1.00 33.54 H new ATOM 0 HE1 MET A 23 7.397 -4.477 2.626 1.00 74.23 H new ATOM 0 HE2 MET A 23 7.507 -2.916 1.778 1.00 74.23 H new ATOM 0 HE3 MET A 23 7.699 -4.437 0.873 1.00 74.23 H new ATOM 337 N ASP A 24 11.587 -5.721 0.246 1.00 72.54 N ATOM 338 CA ASP A 24 11.440 -7.075 0.768 1.00 25.03 C ATOM 339 C ASP A 24 12.696 -7.899 0.502 1.00 61.34 C ATOM 340 O ASP A 24 13.119 -8.694 1.341 1.00 33.23 O ATOM 341 CB ASP A 24 10.224 -7.758 0.141 1.00 21.12 C ATOM 342 CG ASP A 24 9.824 -9.020 0.880 1.00 70.11 C ATOM 343 OD1 ASP A 24 10.521 -9.387 1.850 1.00 53.44 O ATOM 344 OD2 ASP A 24 8.814 -9.641 0.489 1.00 54.21 O ATOM 0 H ASP A 24 10.868 -5.447 -0.424 1.00 72.54 H new ATOM 0 HA ASP A 24 11.293 -7.008 1.846 1.00 25.03 H new ATOM 0 HB2 ASP A 24 9.384 -7.063 0.134 1.00 21.12 H new ATOM 0 HB3 ASP A 24 10.444 -8.003 -0.898 1.00 21.12 H new ATOM 349 N ARG A 25 13.287 -7.705 -0.673 1.00 10.22 N ATOM 350 CA ARG A 25 14.493 -8.432 -1.051 1.00 52.21 C ATOM 351 C ARG A 25 15.726 -7.542 -0.926 1.00 51.21 C ATOM 352 O ARG A 25 16.858 -8.013 -1.035 1.00 62.02 O ATOM 353 CB ARG A 25 14.371 -8.954 -2.484 1.00 13.02 C ATOM 354 CG ARG A 25 13.537 -10.219 -2.602 1.00 33.10 C ATOM 355 CD ARG A 25 12.070 -9.899 -2.844 1.00 51.10 C ATOM 356 NE ARG A 25 11.235 -11.097 -2.810 1.00 2.23 N ATOM 357 CZ ARG A 25 10.977 -11.781 -1.701 1.00 23.22 C ATOM 358 NH1 ARG A 25 11.486 -11.388 -0.541 1.00 42.34 N ATOM 359 NH2 ARG A 25 10.208 -12.861 -1.750 1.00 63.42 N ATOM 0 H ARG A 25 12.950 -7.051 -1.379 1.00 10.22 H new ATOM 0 HA ARG A 25 14.606 -9.277 -0.372 1.00 52.21 H new ATOM 0 HB2 ARG A 25 13.929 -8.178 -3.108 1.00 13.02 H new ATOM 0 HB3 ARG A 25 15.369 -9.149 -2.877 1.00 13.02 H new ATOM 0 HG2 ARG A 25 13.917 -10.831 -3.420 1.00 33.10 H new ATOM 0 HG3 ARG A 25 13.636 -10.808 -1.690 1.00 33.10 H new ATOM 0 HD2 ARG A 25 11.723 -9.194 -2.088 1.00 51.10 H new ATOM 0 HD3 ARG A 25 11.961 -9.409 -3.811 1.00 51.10 H new ATOM 0 HE ARG A 25 10.828 -11.426 -3.685 1.00 2.23 H new ATOM 0 HH11 ARG A 25 12.078 -10.558 -0.499 1.00 42.34 H new ATOM 0 HH12 ARG A 25 11.286 -11.916 0.309 1.00 42.34 H new ATOM 0 HH21 ARG A 25 9.814 -13.167 -2.640 1.00 63.42 H new ATOM 0 HH22 ARG A 25 10.011 -13.386 -0.898 1.00 63.42 H new ATOM 373 N PHE A 26 15.498 -6.253 -0.697 1.00 42.32 N ATOM 374 CA PHE A 26 16.590 -5.296 -0.559 1.00 22.32 C ATOM 375 C PHE A 26 17.429 -5.603 0.678 1.00 32.54 C ATOM 376 O PHE A 26 18.659 -5.607 0.623 1.00 4.24 O ATOM 377 CB PHE A 26 16.040 -3.871 -0.475 1.00 44.20 C ATOM 378 CG PHE A 26 17.103 -2.813 -0.556 1.00 42.40 C ATOM 379 CD1 PHE A 26 18.158 -2.938 -1.445 1.00 63.32 C ATOM 380 CD2 PHE A 26 17.047 -1.692 0.258 1.00 64.44 C ATOM 381 CE1 PHE A 26 19.138 -1.966 -1.523 1.00 32.25 C ATOM 382 CE2 PHE A 26 18.024 -0.717 0.184 1.00 13.14 C ATOM 383 CZ PHE A 26 19.071 -0.855 -0.706 1.00 12.52 C ATOM 0 H PHE A 26 14.567 -5.847 -0.603 1.00 42.32 H new ATOM 0 HA PHE A 26 17.227 -5.381 -1.439 1.00 22.32 H new ATOM 0 HB2 PHE A 26 15.324 -3.718 -1.283 1.00 44.20 H new ATOM 0 HB3 PHE A 26 15.494 -3.755 0.461 1.00 44.20 H new ATOM 0 HD1 PHE A 26 18.216 -3.806 -2.085 1.00 63.32 H new ATOM 0 HD2 PHE A 26 16.232 -1.579 0.957 1.00 64.44 H new ATOM 0 HE1 PHE A 26 19.954 -2.075 -2.222 1.00 32.25 H new ATOM 0 HE2 PHE A 26 17.969 0.153 0.822 1.00 13.14 H new ATOM 0 HZ PHE A 26 19.836 -0.095 -0.763 1.00 12.52 H new ATOM 393 N LEU A 27 16.754 -5.861 1.794 1.00 45.43 N ATOM 394 CA LEU A 27 17.436 -6.169 3.046 1.00 1.31 C ATOM 395 C LEU A 27 18.321 -7.402 2.895 1.00 5.42 C ATOM 396 O LEU A 27 19.489 -7.389 3.283 1.00 22.50 O ATOM 397 CB LEU A 27 16.416 -6.393 4.163 1.00 35.42 C ATOM 398 CG LEU A 27 15.306 -7.402 3.866 1.00 73.25 C ATOM 399 CD1 LEU A 27 15.620 -8.746 4.504 1.00 3.15 C ATOM 400 CD2 LEU A 27 13.963 -6.878 4.355 1.00 64.24 C ATOM 0 H LEU A 27 15.736 -5.863 1.857 1.00 45.43 H new ATOM 0 HA LEU A 27 18.069 -5.320 3.305 1.00 1.31 H new ATOM 0 HB2 LEU A 27 16.950 -6.722 5.054 1.00 35.42 H new ATOM 0 HB3 LEU A 27 15.954 -5.435 4.403 1.00 35.42 H new ATOM 0 HG LEU A 27 15.248 -7.541 2.786 1.00 73.25 H new ATOM 0 HD11 LEU A 27 14.819 -9.451 4.281 1.00 3.15 H new ATOM 0 HD12 LEU A 27 16.560 -9.128 4.105 1.00 3.15 H new ATOM 0 HD13 LEU A 27 15.707 -8.625 5.584 1.00 3.15 H new ATOM 0 HD21 LEU A 27 13.185 -7.609 4.135 1.00 64.24 H new ATOM 0 HD22 LEU A 27 14.008 -6.709 5.431 1.00 64.24 H new ATOM 0 HD23 LEU A 27 13.733 -5.940 3.850 1.00 64.24 H new ATOM 412 N GLU A 28 17.757 -8.463 2.327 1.00 25.14 N ATOM 413 CA GLU A 28 18.497 -9.703 2.124 1.00 21.22 C ATOM 414 C GLU A 28 19.579 -9.524 1.063 1.00 55.05 C ATOM 415 O GLU A 28 20.724 -9.934 1.252 1.00 14.33 O ATOM 416 CB GLU A 28 17.546 -10.829 1.714 1.00 73.12 C ATOM 417 CG GLU A 28 18.249 -12.145 1.424 1.00 14.40 C ATOM 418 CD GLU A 28 17.278 -13.276 1.145 1.00 51.43 C ATOM 419 OE1 GLU A 28 16.770 -13.874 2.116 1.00 12.12 O ATOM 420 OE2 GLU A 28 17.027 -13.563 -0.044 1.00 54.52 O ATOM 0 H GLU A 28 16.791 -8.489 2.000 1.00 25.14 H new ATOM 0 HA GLU A 28 18.977 -9.968 3.066 1.00 21.22 H new ATOM 0 HB2 GLU A 28 16.816 -10.984 2.509 1.00 73.12 H new ATOM 0 HB3 GLU A 28 16.991 -10.520 0.828 1.00 73.12 H new ATOM 0 HG2 GLU A 28 18.910 -12.018 0.566 1.00 14.40 H new ATOM 0 HG3 GLU A 28 18.877 -12.412 2.274 1.00 14.40 H new ATOM 427 N SER A 29 19.206 -8.909 -0.056 1.00 32.35 N ATOM 428 CA SER A 29 20.142 -8.679 -1.150 1.00 33.32 C ATOM 429 C SER A 29 21.375 -7.926 -0.661 1.00 21.34 C ATOM 430 O SER A 29 22.505 -8.382 -0.836 1.00 22.54 O ATOM 431 CB SER A 29 19.463 -7.893 -2.273 1.00 74.41 C ATOM 432 OG SER A 29 19.108 -6.591 -1.842 1.00 42.21 O ATOM 0 H SER A 29 18.263 -8.562 -0.228 1.00 32.35 H new ATOM 0 HA SER A 29 20.459 -9.649 -1.534 1.00 33.32 H new ATOM 0 HB2 SER A 29 20.133 -7.826 -3.130 1.00 74.41 H new ATOM 0 HB3 SER A 29 18.572 -8.425 -2.606 1.00 74.41 H new ATOM 0 HG SER A 29 19.680 -5.932 -2.287 1.00 42.21 H new ATOM 438 N PHE A 30 21.149 -6.770 -0.046 1.00 44.33 N ATOM 439 CA PHE A 30 22.241 -5.951 0.468 1.00 23.41 C ATOM 440 C PHE A 30 23.102 -6.746 1.446 1.00 43.21 C ATOM 441 O PHE A 30 24.331 -6.720 1.370 1.00 33.33 O ATOM 442 CB PHE A 30 21.689 -4.701 1.156 1.00 25.23 C ATOM 443 CG PHE A 30 22.344 -3.428 0.701 1.00 31.21 C ATOM 444 CD1 PHE A 30 23.691 -3.403 0.379 1.00 62.24 C ATOM 445 CD2 PHE A 30 21.612 -2.257 0.595 1.00 13.33 C ATOM 446 CE1 PHE A 30 24.296 -2.233 -0.040 1.00 12.03 C ATOM 447 CE2 PHE A 30 22.211 -1.083 0.177 1.00 31.41 C ATOM 448 CZ PHE A 30 23.555 -1.072 -0.142 1.00 14.12 C ATOM 0 H PHE A 30 20.220 -6.379 0.109 1.00 44.33 H new ATOM 0 HA PHE A 30 22.863 -5.648 -0.374 1.00 23.41 H new ATOM 0 HB2 PHE A 30 20.617 -4.636 0.968 1.00 25.23 H new ATOM 0 HB3 PHE A 30 21.818 -4.802 2.234 1.00 25.23 H new ATOM 0 HD1 PHE A 30 24.275 -4.308 0.456 1.00 62.24 H new ATOM 0 HD2 PHE A 30 20.561 -2.261 0.842 1.00 13.33 H new ATOM 0 HE1 PHE A 30 25.347 -2.227 -0.287 1.00 12.03 H new ATOM 0 HE2 PHE A 30 21.629 -0.176 0.100 1.00 31.41 H new ATOM 0 HZ PHE A 30 24.026 -0.157 -0.471 1.00 14.12 H new ATOM 458 N SER A 31 22.448 -7.450 2.364 1.00 62.21 N ATOM 459 CA SER A 31 23.153 -8.249 3.360 1.00 52.21 C ATOM 460 C SER A 31 24.114 -9.227 2.691 1.00 11.12 C ATOM 461 O SER A 31 25.262 -9.370 3.111 1.00 34.11 O ATOM 462 CB SER A 31 22.154 -9.013 4.231 1.00 10.13 C ATOM 463 OG SER A 31 22.817 -9.942 5.072 1.00 54.52 O ATOM 0 H SER A 31 21.431 -7.484 2.439 1.00 62.21 H new ATOM 0 HA SER A 31 23.731 -7.573 3.990 1.00 52.21 H new ATOM 0 HB2 SER A 31 21.584 -8.310 4.838 1.00 10.13 H new ATOM 0 HB3 SER A 31 21.440 -9.537 3.596 1.00 10.13 H new ATOM 0 HG SER A 31 22.157 -10.416 5.620 1.00 54.52 H new ATOM 469 N GLU A 32 23.635 -9.897 1.648 1.00 61.42 N ATOM 470 CA GLU A 32 24.451 -10.863 0.921 1.00 3.22 C ATOM 471 C GLU A 32 25.526 -10.157 0.099 1.00 20.21 C ATOM 472 O GLU A 32 26.669 -10.611 0.031 1.00 42.33 O ATOM 473 CB GLU A 32 23.574 -11.719 0.006 1.00 70.41 C ATOM 474 CG GLU A 32 24.274 -12.961 -0.521 1.00 0.04 C ATOM 475 CD GLU A 32 24.367 -14.063 0.517 1.00 3.54 C ATOM 476 OE1 GLU A 32 25.141 -13.903 1.484 1.00 21.43 O ATOM 477 OE2 GLU A 32 23.666 -15.084 0.362 1.00 15.12 O ATOM 0 H GLU A 32 22.687 -9.789 1.287 1.00 61.42 H new ATOM 0 HA GLU A 32 24.941 -11.509 1.650 1.00 3.22 H new ATOM 0 HB2 GLU A 32 22.680 -12.020 0.552 1.00 70.41 H new ATOM 0 HB3 GLU A 32 23.244 -11.113 -0.838 1.00 70.41 H new ATOM 0 HG2 GLU A 32 23.737 -13.333 -1.394 1.00 0.04 H new ATOM 0 HG3 GLU A 32 25.277 -12.695 -0.854 1.00 0.04 H new ATOM 484 N LEU A 33 25.151 -9.045 -0.524 1.00 30.41 N ATOM 485 CA LEU A 33 26.082 -8.276 -1.342 1.00 74.05 C ATOM 486 C LEU A 33 27.315 -7.880 -0.538 1.00 4.21 C ATOM 487 O LEU A 33 28.430 -7.864 -1.060 1.00 5.33 O ATOM 488 CB LEU A 33 25.394 -7.025 -1.892 1.00 71.13 C ATOM 489 CG LEU A 33 26.262 -6.105 -2.751 1.00 52.23 C ATOM 490 CD1 LEU A 33 27.068 -5.159 -1.874 1.00 73.33 C ATOM 491 CD2 LEU A 33 27.183 -6.922 -3.645 1.00 43.11 C ATOM 0 H LEU A 33 24.209 -8.656 -0.478 1.00 30.41 H new ATOM 0 HA LEU A 33 26.401 -8.904 -2.174 1.00 74.05 H new ATOM 0 HB2 LEU A 33 24.534 -7.338 -2.485 1.00 71.13 H new ATOM 0 HB3 LEU A 33 25.008 -6.448 -1.052 1.00 71.13 H new ATOM 0 HG LEU A 33 25.607 -5.509 -3.387 1.00 52.23 H new ATOM 0 HD11 LEU A 33 27.680 -4.512 -2.503 1.00 73.33 H new ATOM 0 HD12 LEU A 33 26.390 -4.549 -1.277 1.00 73.33 H new ATOM 0 HD13 LEU A 33 27.713 -5.737 -1.212 1.00 73.33 H new ATOM 0 HD21 LEU A 33 27.793 -6.251 -4.249 1.00 43.11 H new ATOM 0 HD22 LEU A 33 27.831 -7.545 -3.028 1.00 43.11 H new ATOM 0 HD23 LEU A 33 26.586 -7.557 -4.299 1.00 43.11 H new ATOM 503 N TYR A 34 27.108 -7.563 0.735 1.00 1.23 N ATOM 504 CA TYR A 34 28.203 -7.167 1.612 1.00 5.53 C ATOM 505 C TYR A 34 29.150 -8.336 1.864 1.00 21.12 C ATOM 506 O TYR A 34 30.356 -8.149 2.026 1.00 22.40 O ATOM 507 CB TYR A 34 27.657 -6.643 2.941 1.00 35.25 C ATOM 508 CG TYR A 34 28.691 -6.591 4.043 1.00 13.13 C ATOM 509 CD1 TYR A 34 28.898 -7.680 4.881 1.00 43.14 C ATOM 510 CD2 TYR A 34 29.461 -5.452 4.246 1.00 20.41 C ATOM 511 CE1 TYR A 34 29.842 -7.636 5.889 1.00 74.11 C ATOM 512 CE2 TYR A 34 30.408 -5.400 5.251 1.00 34.10 C ATOM 513 CZ TYR A 34 30.594 -6.494 6.070 1.00 72.20 C ATOM 514 OH TYR A 34 31.535 -6.447 7.072 1.00 24.14 O ATOM 0 H TYR A 34 26.192 -7.573 1.183 1.00 1.23 H new ATOM 0 HA TYR A 34 28.760 -6.372 1.117 1.00 5.53 H new ATOM 0 HB2 TYR A 34 27.251 -5.643 2.788 1.00 35.25 H new ATOM 0 HB3 TYR A 34 26.830 -7.278 3.260 1.00 35.25 H new ATOM 0 HD1 TYR A 34 28.311 -8.576 4.742 1.00 43.14 H new ATOM 0 HD2 TYR A 34 29.317 -4.593 3.607 1.00 20.41 H new ATOM 0 HE1 TYR A 34 29.990 -8.491 6.532 1.00 74.11 H new ATOM 0 HE2 TYR A 34 30.999 -4.508 5.394 1.00 34.10 H new ATOM 0 HH TYR A 34 31.887 -7.347 7.232 1.00 24.14 H new ATOM 524 N ASP A 35 28.594 -9.542 1.895 1.00 23.23 N ATOM 525 CA ASP A 35 29.388 -10.744 2.126 1.00 74.05 C ATOM 526 C ASP A 35 30.223 -11.087 0.896 1.00 22.33 C ATOM 527 O ASP A 35 31.319 -11.637 1.012 1.00 1.25 O ATOM 528 CB ASP A 35 28.478 -11.920 2.484 1.00 22.31 C ATOM 529 CG ASP A 35 28.792 -12.500 3.849 1.00 0.45 C ATOM 530 OD1 ASP A 35 29.990 -12.611 4.186 1.00 13.53 O ATOM 531 OD2 ASP A 35 27.840 -12.841 4.582 1.00 60.14 O ATOM 0 H ASP A 35 27.597 -9.714 1.763 1.00 23.23 H new ATOM 0 HA ASP A 35 30.063 -10.550 2.959 1.00 74.05 H new ATOM 0 HB2 ASP A 35 27.439 -11.591 2.462 1.00 22.31 H new ATOM 0 HB3 ASP A 35 28.582 -12.699 1.729 1.00 22.31 H new ATOM 536 N ILE A 36 29.698 -10.761 -0.280 1.00 1.22 N ATOM 537 CA ILE A 36 30.396 -11.035 -1.530 1.00 12.31 C ATOM 538 C ILE A 36 31.242 -9.841 -1.960 1.00 20.30 C ATOM 539 O ILE A 36 32.140 -9.972 -2.792 1.00 62.31 O ATOM 540 CB ILE A 36 29.410 -11.384 -2.660 1.00 73.40 C ATOM 541 CG1 ILE A 36 30.159 -11.568 -3.981 1.00 52.25 C ATOM 542 CG2 ILE A 36 28.349 -10.301 -2.792 1.00 24.42 C ATOM 543 CD1 ILE A 36 30.132 -10.341 -4.867 1.00 33.44 C ATOM 0 H ILE A 36 28.792 -10.307 -0.394 1.00 1.22 H new ATOM 0 HA ILE A 36 31.046 -11.891 -1.348 1.00 12.31 H new ATOM 0 HB ILE A 36 28.914 -12.322 -2.412 1.00 73.40 H new ATOM 0 HG12 ILE A 36 31.195 -11.830 -3.768 1.00 52.25 H new ATOM 0 HG13 ILE A 36 29.723 -12.407 -4.523 1.00 52.25 H new ATOM 0 HG21 ILE A 36 27.660 -10.563 -3.595 1.00 24.42 H new ATOM 0 HG22 ILE A 36 27.799 -10.215 -1.855 1.00 24.42 H new ATOM 0 HG23 ILE A 36 28.828 -9.349 -3.021 1.00 24.42 H new ATOM 0 HD11 ILE A 36 30.682 -10.544 -5.786 1.00 33.44 H new ATOM 0 HD12 ILE A 36 29.099 -10.090 -5.110 1.00 33.44 H new ATOM 0 HD13 ILE A 36 30.595 -9.504 -4.344 1.00 33.44 H new ATOM 555 N ILE A 37 30.950 -8.679 -1.386 1.00 43.25 N ATOM 556 CA ILE A 37 31.686 -7.463 -1.708 1.00 45.44 C ATOM 557 C ILE A 37 33.176 -7.632 -1.430 1.00 42.11 C ATOM 558 O ILE A 37 34.005 -6.888 -1.955 1.00 53.22 O ATOM 559 CB ILE A 37 31.160 -6.257 -0.908 1.00 32.13 C ATOM 560 CG1 ILE A 37 31.562 -4.948 -1.590 1.00 65.45 C ATOM 561 CG2 ILE A 37 31.685 -6.299 0.520 1.00 75.43 C ATOM 562 CD1 ILE A 37 30.801 -4.674 -2.868 1.00 72.33 C ATOM 0 H ILE A 37 30.209 -8.554 -0.696 1.00 43.25 H new ATOM 0 HA ILE A 37 31.536 -7.276 -2.771 1.00 45.44 H new ATOM 0 HB ILE A 37 30.072 -6.308 -0.877 1.00 32.13 H new ATOM 0 HG12 ILE A 37 31.401 -4.122 -0.897 1.00 65.45 H new ATOM 0 HG13 ILE A 37 32.629 -4.976 -1.811 1.00 65.45 H new ATOM 0 HG21 ILE A 37 31.305 -5.440 1.073 1.00 75.43 H new ATOM 0 HG22 ILE A 37 31.352 -7.218 1.003 1.00 75.43 H new ATOM 0 HG23 ILE A 37 32.775 -6.269 0.508 1.00 75.43 H new ATOM 0 HD11 ILE A 37 31.138 -3.730 -3.297 1.00 72.33 H new ATOM 0 HD12 ILE A 37 30.981 -5.480 -3.579 1.00 72.33 H new ATOM 0 HD13 ILE A 37 29.735 -4.614 -2.651 1.00 72.33 H new ATOM 574 N ASP A 38 33.510 -8.616 -0.603 1.00 34.14 N ATOM 575 CA ASP A 38 34.900 -8.886 -0.256 1.00 43.23 C ATOM 576 C ASP A 38 35.711 -9.238 -1.499 1.00 62.54 C ATOM 577 O ASP A 38 36.904 -8.948 -1.576 1.00 44.32 O ATOM 578 CB ASP A 38 34.983 -10.024 0.762 1.00 61.22 C ATOM 579 CG ASP A 38 36.384 -10.590 0.885 1.00 62.23 C ATOM 580 OD1 ASP A 38 37.184 -10.031 1.665 1.00 71.43 O ATOM 581 OD2 ASP A 38 36.681 -11.592 0.202 1.00 73.44 O ATOM 0 H ASP A 38 32.836 -9.241 -0.160 1.00 34.14 H new ATOM 0 HA ASP A 38 35.320 -7.983 0.187 1.00 43.23 H new ATOM 0 HB2 ASP A 38 34.654 -9.661 1.736 1.00 61.22 H new ATOM 0 HB3 ASP A 38 34.297 -10.819 0.470 1.00 61.22 H new ATOM 586 N GLU A 39 35.055 -9.867 -2.469 1.00 72.53 N ATOM 587 CA GLU A 39 35.716 -10.261 -3.708 1.00 23.33 C ATOM 588 C GLU A 39 35.951 -9.051 -4.608 1.00 23.45 C ATOM 589 O GLU A 39 35.403 -7.975 -4.374 1.00 31.30 O ATOM 590 CB GLU A 39 34.880 -11.307 -4.448 1.00 42.14 C ATOM 591 CG GLU A 39 34.589 -12.549 -3.623 1.00 61.35 C ATOM 592 CD GLU A 39 35.739 -13.538 -3.632 1.00 51.12 C ATOM 593 OE1 GLU A 39 36.484 -13.574 -4.634 1.00 15.02 O ATOM 594 OE2 GLU A 39 35.894 -14.275 -2.636 1.00 73.52 O ATOM 0 H GLU A 39 34.067 -10.115 -2.421 1.00 72.53 H new ATOM 0 HA GLU A 39 36.683 -10.695 -3.452 1.00 23.33 H new ATOM 0 HB2 GLU A 39 33.936 -10.855 -4.754 1.00 42.14 H new ATOM 0 HB3 GLU A 39 35.403 -11.600 -5.358 1.00 42.14 H new ATOM 0 HG2 GLU A 39 34.375 -12.256 -2.595 1.00 61.35 H new ATOM 0 HG3 GLU A 39 33.693 -13.035 -4.009 1.00 61.35 H new ATOM 601 N ASN A 40 36.771 -9.237 -5.637 1.00 22.31 N ATOM 602 CA ASN A 40 37.080 -8.161 -6.572 1.00 24.52 C ATOM 603 C ASN A 40 37.004 -8.655 -8.013 1.00 51.25 C ATOM 604 O ASN A 40 37.387 -7.946 -8.944 1.00 45.01 O ATOM 605 CB ASN A 40 38.473 -7.596 -6.288 1.00 3.42 C ATOM 606 CG ASN A 40 38.734 -6.300 -7.032 1.00 15.14 C ATOM 607 OD1 ASN A 40 37.847 -5.455 -7.157 1.00 44.45 O ATOM 608 ND2 ASN A 40 39.954 -6.138 -7.529 1.00 62.40 N ATOM 0 H ASN A 40 37.233 -10.122 -5.845 1.00 22.31 H new ATOM 0 HA ASN A 40 36.340 -7.372 -6.437 1.00 24.52 H new ATOM 0 HB2 ASN A 40 38.581 -7.425 -5.217 1.00 3.42 H new ATOM 0 HB3 ASN A 40 39.225 -8.332 -6.571 1.00 3.42 H new ATOM 0 HD21 ASN A 40 40.188 -5.286 -8.039 1.00 62.40 H new ATOM 0 HD22 ASN A 40 40.658 -6.865 -7.401 1.00 62.40 H new ATOM 615 N ASP A 41 36.506 -9.874 -8.190 1.00 52.41 N ATOM 616 CA ASP A 41 36.377 -10.462 -9.518 1.00 50.23 C ATOM 617 C ASP A 41 35.096 -9.990 -10.199 1.00 60.45 C ATOM 618 O ASP A 41 34.029 -9.956 -9.585 1.00 42.51 O ATOM 619 CB ASP A 41 36.388 -11.989 -9.427 1.00 4.55 C ATOM 620 CG ASP A 41 36.892 -12.641 -10.699 1.00 24.23 C ATOM 621 OD1 ASP A 41 38.111 -12.566 -10.961 1.00 72.10 O ATOM 622 OD2 ASP A 41 36.068 -13.226 -11.433 1.00 22.35 O ATOM 0 H ASP A 41 36.185 -10.474 -7.430 1.00 52.41 H new ATOM 0 HA ASP A 41 37.227 -10.136 -10.117 1.00 50.23 H new ATOM 0 HB2 ASP A 41 37.017 -12.296 -8.591 1.00 4.55 H new ATOM 0 HB3 ASP A 41 35.380 -12.345 -9.215 1.00 4.55 H new ATOM 627 N THR A 42 35.208 -9.627 -11.473 1.00 44.34 N ATOM 628 CA THR A 42 34.061 -9.155 -12.238 1.00 34.13 C ATOM 629 C THR A 42 33.067 -10.283 -12.491 1.00 25.41 C ATOM 630 O THR A 42 31.860 -10.055 -12.569 1.00 3.22 O ATOM 631 CB THR A 42 34.494 -8.555 -13.588 1.00 54.45 C ATOM 632 OG1 THR A 42 35.033 -9.580 -14.430 1.00 1.01 O ATOM 633 CG2 THR A 42 35.530 -7.460 -13.387 1.00 0.44 C ATOM 0 H THR A 42 36.083 -9.651 -11.997 1.00 44.34 H new ATOM 0 HA THR A 42 33.581 -8.379 -11.642 1.00 34.13 H new ATOM 0 HB THR A 42 33.616 -8.119 -14.064 1.00 54.45 H new ATOM 0 HG1 THR A 42 35.304 -9.190 -15.287 1.00 1.01 H new ATOM 0 HG21 THR A 42 35.820 -7.052 -14.355 1.00 0.44 H new ATOM 0 HG22 THR A 42 35.106 -6.667 -12.771 1.00 0.44 H new ATOM 0 HG23 THR A 42 36.407 -7.876 -12.891 1.00 0.44 H new ATOM 641 N ASP A 43 33.583 -11.501 -12.618 1.00 73.21 N ATOM 642 CA ASP A 43 32.740 -12.666 -12.861 1.00 21.41 C ATOM 643 C ASP A 43 31.854 -12.957 -11.654 1.00 33.12 C ATOM 644 O ASP A 43 30.664 -13.238 -11.797 1.00 72.05 O ATOM 645 CB ASP A 43 33.603 -13.888 -13.182 1.00 34.11 C ATOM 646 CG ASP A 43 32.907 -14.859 -14.115 1.00 54.15 C ATOM 647 OD1 ASP A 43 32.608 -14.468 -15.264 1.00 24.13 O ATOM 648 OD2 ASP A 43 32.661 -16.010 -13.698 1.00 51.22 O ATOM 0 H ASP A 43 34.580 -11.707 -12.557 1.00 73.21 H new ATOM 0 HA ASP A 43 32.099 -12.448 -13.715 1.00 21.41 H new ATOM 0 HB2 ASP A 43 34.538 -13.560 -13.636 1.00 34.11 H new ATOM 0 HB3 ASP A 43 33.861 -14.401 -12.255 1.00 34.11 H new ATOM 653 N VAL A 44 32.442 -12.889 -10.464 1.00 0.43 N ATOM 654 CA VAL A 44 31.706 -13.144 -9.231 1.00 62.33 C ATOM 655 C VAL A 44 30.684 -12.045 -8.963 1.00 62.23 C ATOM 656 O VAL A 44 29.560 -12.318 -8.543 1.00 3.12 O ATOM 657 CB VAL A 44 32.655 -13.253 -8.023 1.00 63.32 C ATOM 658 CG1 VAL A 44 31.864 -13.421 -6.735 1.00 74.33 C ATOM 659 CG2 VAL A 44 33.630 -14.406 -8.214 1.00 13.20 C ATOM 0 H VAL A 44 33.426 -12.659 -10.327 1.00 0.43 H new ATOM 0 HA VAL A 44 31.187 -14.094 -9.363 1.00 62.33 H new ATOM 0 HB VAL A 44 33.229 -12.329 -7.950 1.00 63.32 H new ATOM 0 HG11 VAL A 44 32.552 -13.496 -5.893 1.00 74.33 H new ATOM 0 HG12 VAL A 44 31.211 -12.560 -6.594 1.00 74.33 H new ATOM 0 HG13 VAL A 44 31.262 -14.328 -6.794 1.00 74.33 H new ATOM 0 HG21 VAL A 44 34.293 -14.468 -7.351 1.00 13.20 H new ATOM 0 HG22 VAL A 44 33.075 -15.339 -8.314 1.00 13.20 H new ATOM 0 HG23 VAL A 44 34.221 -14.237 -9.114 1.00 13.20 H new ATOM 669 N MET A 45 31.083 -10.802 -9.210 1.00 55.53 N ATOM 670 CA MET A 45 30.200 -9.660 -8.997 1.00 70.31 C ATOM 671 C MET A 45 29.082 -9.636 -10.035 1.00 24.10 C ATOM 672 O MET A 45 27.919 -9.414 -9.702 1.00 53.42 O ATOM 673 CB MET A 45 30.996 -8.355 -9.057 1.00 14.03 C ATOM 674 CG MET A 45 31.663 -7.990 -7.741 1.00 4.31 C ATOM 675 SD MET A 45 32.036 -6.230 -7.616 1.00 40.01 S ATOM 676 CE MET A 45 30.388 -5.530 -7.675 1.00 4.03 C ATOM 0 H MET A 45 32.011 -10.559 -9.557 1.00 55.53 H new ATOM 0 HA MET A 45 29.751 -9.758 -8.008 1.00 70.31 H new ATOM 0 HB2 MET A 45 31.759 -8.440 -9.831 1.00 14.03 H new ATOM 0 HB3 MET A 45 30.329 -7.545 -9.354 1.00 14.03 H new ATOM 0 HG2 MET A 45 31.012 -8.279 -6.916 1.00 4.31 H new ATOM 0 HG3 MET A 45 32.585 -8.561 -7.635 1.00 4.31 H new ATOM 0 HE1 MET A 45 30.419 -4.497 -7.329 1.00 4.03 H new ATOM 0 HE2 MET A 45 30.017 -5.558 -8.700 1.00 4.03 H new ATOM 0 HE3 MET A 45 29.724 -6.108 -7.033 1.00 4.03 H new ATOM 686 N MET A 46 29.444 -9.866 -11.293 1.00 41.10 N ATOM 687 CA MET A 46 28.471 -9.871 -12.379 1.00 14.12 C ATOM 688 C MET A 46 27.517 -11.054 -12.249 1.00 21.54 C ATOM 689 O MET A 46 26.326 -10.939 -12.537 1.00 50.44 O ATOM 690 CB MET A 46 29.184 -9.922 -13.731 1.00 53.14 C ATOM 691 CG MET A 46 29.688 -11.308 -14.101 1.00 14.31 C ATOM 692 SD MET A 46 30.505 -11.344 -15.708 1.00 10.14 S ATOM 693 CE MET A 46 29.136 -10.950 -16.793 1.00 52.10 C ATOM 0 H MET A 46 30.404 -10.051 -11.585 1.00 41.10 H new ATOM 0 HA MET A 46 27.890 -8.951 -12.317 1.00 14.12 H new ATOM 0 HB2 MET A 46 28.501 -9.574 -14.506 1.00 53.14 H new ATOM 0 HB3 MET A 46 30.026 -9.231 -13.714 1.00 53.14 H new ATOM 0 HG2 MET A 46 30.384 -11.653 -13.336 1.00 14.31 H new ATOM 0 HG3 MET A 46 28.850 -12.005 -14.108 1.00 14.31 H new ATOM 0 HE1 MET A 46 29.371 -11.273 -17.807 1.00 52.10 H new ATOM 0 HE2 MET A 46 28.239 -11.463 -16.448 1.00 52.10 H new ATOM 0 HE3 MET A 46 28.964 -9.874 -16.785 1.00 52.10 H new ATOM 703 N ASP A 47 28.049 -12.191 -11.813 1.00 35.32 N ATOM 704 CA ASP A 47 27.244 -13.396 -11.644 1.00 2.12 C ATOM 705 C ASP A 47 26.269 -13.239 -10.481 1.00 71.43 C ATOM 706 O ASP A 47 25.113 -13.654 -10.567 1.00 53.32 O ATOM 707 CB ASP A 47 28.146 -14.608 -11.409 1.00 64.51 C ATOM 708 CG ASP A 47 27.362 -15.847 -11.023 1.00 24.25 C ATOM 709 OD1 ASP A 47 26.381 -16.170 -11.723 1.00 60.44 O ATOM 710 OD2 ASP A 47 27.730 -16.493 -10.018 1.00 52.14 O ATOM 0 H ASP A 47 29.033 -12.304 -11.570 1.00 35.32 H new ATOM 0 HA ASP A 47 26.670 -13.551 -12.558 1.00 2.12 H new ATOM 0 HB2 ASP A 47 28.719 -14.811 -12.314 1.00 64.51 H new ATOM 0 HB3 ASP A 47 28.864 -14.376 -10.622 1.00 64.51 H new ATOM 715 N PHE A 48 26.743 -12.640 -9.394 1.00 41.33 N ATOM 716 CA PHE A 48 25.914 -12.430 -8.213 1.00 73.33 C ATOM 717 C PHE A 48 24.871 -11.346 -8.467 1.00 12.45 C ATOM 718 O PHE A 48 23.697 -11.509 -8.133 1.00 12.20 O ATOM 719 CB PHE A 48 26.784 -12.047 -7.014 1.00 72.24 C ATOM 720 CG PHE A 48 26.000 -11.502 -5.855 1.00 21.12 C ATOM 721 CD1 PHE A 48 25.495 -12.351 -4.883 1.00 2.22 C ATOM 722 CD2 PHE A 48 25.769 -10.141 -5.736 1.00 73.24 C ATOM 723 CE1 PHE A 48 24.773 -11.852 -3.815 1.00 41.23 C ATOM 724 CE2 PHE A 48 25.048 -9.636 -4.671 1.00 34.33 C ATOM 725 CZ PHE A 48 24.550 -10.493 -3.708 1.00 41.14 C ATOM 0 H PHE A 48 27.697 -12.291 -9.306 1.00 41.33 H new ATOM 0 HA PHE A 48 25.396 -13.363 -7.993 1.00 73.33 H new ATOM 0 HB2 PHE A 48 27.342 -12.924 -6.685 1.00 72.24 H new ATOM 0 HB3 PHE A 48 27.516 -11.303 -7.329 1.00 72.24 H new ATOM 0 HD1 PHE A 48 25.667 -13.414 -4.961 1.00 2.22 H new ATOM 0 HD2 PHE A 48 26.157 -9.467 -6.485 1.00 73.24 H new ATOM 0 HE1 PHE A 48 24.384 -12.524 -3.065 1.00 41.23 H new ATOM 0 HE2 PHE A 48 24.874 -8.573 -4.591 1.00 34.33 H new ATOM 0 HZ PHE A 48 23.988 -10.101 -2.873 1.00 41.14 H new ATOM 735 N ILE A 49 25.308 -10.239 -9.057 1.00 65.05 N ATOM 736 CA ILE A 49 24.414 -9.128 -9.356 1.00 14.21 C ATOM 737 C ILE A 49 23.318 -9.550 -10.328 1.00 73.53 C ATOM 738 O ILE A 49 22.137 -9.285 -10.102 1.00 60.54 O ATOM 739 CB ILE A 49 25.180 -7.932 -9.952 1.00 31.23 C ATOM 740 CG1 ILE A 49 25.533 -6.927 -8.854 1.00 4.31 C ATOM 741 CG2 ILE A 49 24.356 -7.265 -11.043 1.00 34.32 C ATOM 742 CD1 ILE A 49 26.902 -7.149 -8.249 1.00 42.44 C ATOM 0 H ILE A 49 26.277 -10.088 -9.338 1.00 65.05 H new ATOM 0 HA ILE A 49 23.962 -8.825 -8.411 1.00 14.21 H new ATOM 0 HB ILE A 49 26.106 -8.297 -10.396 1.00 31.23 H new ATOM 0 HG12 ILE A 49 25.486 -5.919 -9.266 1.00 4.31 H new ATOM 0 HG13 ILE A 49 24.783 -6.984 -8.066 1.00 4.31 H new ATOM 0 HG21 ILE A 49 24.911 -6.422 -11.454 1.00 34.32 H new ATOM 0 HG22 ILE A 49 24.150 -7.985 -11.835 1.00 34.32 H new ATOM 0 HG23 ILE A 49 23.415 -6.910 -10.623 1.00 34.32 H new ATOM 0 HD11 ILE A 49 27.085 -6.400 -7.478 1.00 42.44 H new ATOM 0 HD12 ILE A 49 26.947 -8.144 -7.807 1.00 42.44 H new ATOM 0 HD13 ILE A 49 27.662 -7.063 -9.026 1.00 42.44 H new ATOM 754 N SER A 50 23.717 -10.211 -11.411 1.00 12.15 N ATOM 755 CA SER A 50 22.769 -10.669 -12.419 1.00 71.33 C ATOM 756 C SER A 50 21.825 -11.719 -11.841 1.00 11.04 C ATOM 757 O SER A 50 20.635 -11.741 -12.156 1.00 1.10 O ATOM 758 CB SER A 50 23.514 -11.246 -13.625 1.00 14.01 C ATOM 759 OG SER A 50 22.712 -11.193 -14.793 1.00 5.45 O ATOM 0 H SER A 50 24.690 -10.441 -11.612 1.00 12.15 H new ATOM 0 HA SER A 50 22.177 -9.812 -12.741 1.00 71.33 H new ATOM 0 HB2 SER A 50 24.436 -10.688 -13.788 1.00 14.01 H new ATOM 0 HB3 SER A 50 23.798 -12.279 -13.421 1.00 14.01 H new ATOM 0 HG SER A 50 23.211 -11.566 -15.550 1.00 5.45 H new ATOM 765 N ARG A 51 22.365 -12.588 -10.992 1.00 50.31 N ATOM 766 CA ARG A 51 21.572 -13.641 -10.370 1.00 24.23 C ATOM 767 C ARG A 51 20.619 -13.061 -9.329 1.00 74.43 C ATOM 768 O ARG A 51 19.541 -13.605 -9.089 1.00 34.34 O ATOM 769 CB ARG A 51 22.487 -14.679 -9.716 1.00 44.42 C ATOM 770 CG ARG A 51 23.058 -15.691 -10.696 1.00 42.42 C ATOM 771 CD ARG A 51 22.001 -16.686 -11.147 1.00 62.44 C ATOM 772 NE ARG A 51 22.522 -17.628 -12.135 1.00 3.12 N ATOM 773 CZ ARG A 51 23.327 -18.641 -11.832 1.00 12.54 C ATOM 774 NH1 ARG A 51 23.700 -18.842 -10.575 1.00 40.14 N ATOM 775 NH2 ARG A 51 23.759 -19.455 -12.786 1.00 43.40 N ATOM 0 H ARG A 51 23.348 -12.583 -10.720 1.00 50.31 H new ATOM 0 HA ARG A 51 20.982 -14.125 -11.149 1.00 24.23 H new ATOM 0 HB2 ARG A 51 23.309 -14.164 -9.218 1.00 44.42 H new ATOM 0 HB3 ARG A 51 21.928 -15.208 -8.944 1.00 44.42 H new ATOM 0 HG2 ARG A 51 23.463 -15.170 -11.564 1.00 42.42 H new ATOM 0 HG3 ARG A 51 23.886 -16.224 -10.229 1.00 42.42 H new ATOM 0 HD2 ARG A 51 21.629 -17.236 -10.283 1.00 62.44 H new ATOM 0 HD3 ARG A 51 21.154 -16.147 -11.571 1.00 62.44 H new ATOM 0 HE ARG A 51 22.253 -17.501 -13.111 1.00 3.12 H new ATOM 0 HH11 ARG A 51 23.369 -18.218 -9.839 1.00 40.14 H new ATOM 0 HH12 ARG A 51 24.318 -19.620 -10.345 1.00 40.14 H new ATOM 0 HH21 ARG A 51 23.473 -19.304 -13.753 1.00 43.40 H new ATOM 0 HH22 ARG A 51 24.377 -20.232 -12.552 1.00 43.40 H new ATOM 789 N PHE A 52 21.023 -11.955 -8.715 1.00 41.41 N ATOM 790 CA PHE A 52 20.205 -11.302 -7.699 1.00 45.54 C ATOM 791 C PHE A 52 19.275 -10.271 -8.331 1.00 14.52 C ATOM 792 O PHE A 52 18.300 -9.839 -7.715 1.00 70.45 O ATOM 793 CB PHE A 52 21.096 -10.628 -6.653 1.00 71.10 C ATOM 794 CG PHE A 52 21.363 -11.488 -5.451 1.00 3.22 C ATOM 795 CD1 PHE A 52 21.864 -12.771 -5.598 1.00 31.40 C ATOM 796 CD2 PHE A 52 21.114 -11.012 -4.173 1.00 74.55 C ATOM 797 CE1 PHE A 52 22.111 -13.565 -4.494 1.00 25.03 C ATOM 798 CE2 PHE A 52 21.360 -11.801 -3.066 1.00 34.34 C ATOM 799 CZ PHE A 52 21.858 -13.080 -3.226 1.00 10.51 C ATOM 0 H PHE A 52 21.912 -11.491 -8.903 1.00 41.41 H new ATOM 0 HA PHE A 52 19.597 -12.064 -7.212 1.00 45.54 H new ATOM 0 HB2 PHE A 52 22.046 -10.358 -7.115 1.00 71.10 H new ATOM 0 HB3 PHE A 52 20.624 -9.700 -6.329 1.00 71.10 H new ATOM 0 HD1 PHE A 52 22.064 -13.156 -6.587 1.00 31.40 H new ATOM 0 HD2 PHE A 52 20.724 -10.014 -4.041 1.00 74.55 H new ATOM 0 HE1 PHE A 52 22.501 -14.564 -4.623 1.00 25.03 H new ATOM 0 HE2 PHE A 52 21.163 -11.418 -2.076 1.00 34.34 H new ATOM 0 HZ PHE A 52 22.049 -13.699 -2.362 1.00 10.51 H new ATOM 809 N ALA A 53 19.583 -9.879 -9.563 1.00 23.51 N ATOM 810 CA ALA A 53 18.775 -8.901 -10.279 1.00 14.31 C ATOM 811 C ALA A 53 17.982 -9.560 -11.403 1.00 4.21 C ATOM 812 O ALA A 53 18.310 -10.662 -11.842 1.00 32.41 O ATOM 813 CB ALA A 53 19.656 -7.791 -10.832 1.00 63.14 C ATOM 0 H ALA A 53 20.388 -10.225 -10.086 1.00 23.51 H new ATOM 0 HA ALA A 53 18.065 -8.469 -9.574 1.00 14.31 H new ATOM 0 HB1 ALA A 53 19.039 -7.068 -11.364 1.00 63.14 H new ATOM 0 HB2 ALA A 53 20.172 -7.293 -10.011 1.00 63.14 H new ATOM 0 HB3 ALA A 53 20.390 -8.216 -11.517 1.00 63.14 H new ATOM 819 N ARG A 54 16.939 -8.878 -11.864 1.00 11.02 N ATOM 820 CA ARG A 54 16.099 -9.399 -12.936 1.00 11.15 C ATOM 821 C ARG A 54 15.394 -8.265 -13.674 1.00 14.35 C ATOM 822 O ARG A 54 14.361 -8.472 -14.312 1.00 42.32 O ATOM 823 CB ARG A 54 15.065 -10.376 -12.373 1.00 21.11 C ATOM 824 CG ARG A 54 14.015 -9.714 -11.496 1.00 40.10 C ATOM 825 CD ARG A 54 13.024 -10.730 -10.950 1.00 2.12 C ATOM 826 NE ARG A 54 13.352 -11.135 -9.586 1.00 21.54 N ATOM 827 CZ ARG A 54 12.487 -11.720 -8.765 1.00 13.35 C ATOM 828 NH1 ARG A 54 11.248 -11.966 -9.168 1.00 12.14 N ATOM 829 NH2 ARG A 54 12.860 -12.060 -7.537 1.00 41.44 N ATOM 0 H ARG A 54 16.655 -7.964 -11.512 1.00 11.02 H new ATOM 0 HA ARG A 54 16.740 -9.926 -13.643 1.00 11.15 H new ATOM 0 HB2 ARG A 54 14.568 -10.882 -13.200 1.00 21.11 H new ATOM 0 HB3 ARG A 54 15.580 -11.142 -11.793 1.00 21.11 H new ATOM 0 HG2 ARG A 54 14.503 -9.199 -10.668 1.00 40.10 H new ATOM 0 HG3 ARG A 54 13.482 -8.958 -12.072 1.00 40.10 H new ATOM 0 HD2 ARG A 54 12.020 -10.305 -10.971 1.00 2.12 H new ATOM 0 HD3 ARG A 54 13.012 -11.608 -11.596 1.00 2.12 H new ATOM 0 HE ARG A 54 14.297 -10.959 -9.245 1.00 21.54 H new ATOM 0 HH11 ARG A 54 10.957 -11.706 -10.110 1.00 12.14 H new ATOM 0 HH12 ARG A 54 10.586 -12.415 -8.536 1.00 12.14 H new ATOM 0 HH21 ARG A 54 13.812 -11.872 -7.223 1.00 41.44 H new ATOM 0 HH22 ARG A 54 12.195 -12.509 -6.908 1.00 41.44 H new ATOM 843 N THR A 55 15.958 -7.064 -13.581 1.00 73.41 N ATOM 844 CA THR A 55 15.383 -5.897 -14.238 1.00 32.22 C ATOM 845 C THR A 55 13.884 -5.801 -13.975 1.00 44.20 C ATOM 846 O THR A 55 13.075 -6.310 -14.750 1.00 34.43 O ATOM 847 CB THR A 55 15.625 -5.932 -15.759 1.00 34.34 C ATOM 848 OG1 THR A 55 14.980 -7.076 -16.331 1.00 14.51 O ATOM 849 CG2 THR A 55 17.113 -5.975 -16.069 1.00 62.31 C ATOM 0 H THR A 55 16.812 -6.875 -13.057 1.00 73.41 H new ATOM 0 HA THR A 55 15.879 -5.022 -13.819 1.00 32.22 H new ATOM 0 HB THR A 55 15.206 -5.024 -16.193 1.00 34.34 H new ATOM 0 HG1 THR A 55 14.247 -7.364 -15.747 1.00 14.51 H new ATOM 0 HG21 THR A 55 17.259 -5.999 -17.149 1.00 62.31 H new ATOM 0 HG22 THR A 55 17.596 -5.089 -15.657 1.00 62.31 H new ATOM 0 HG23 THR A 55 17.552 -6.868 -15.623 1.00 62.31 H new ATOM 857 N ASP A 56 13.522 -5.144 -12.879 1.00 11.12 N ATOM 858 CA ASP A 56 12.119 -4.979 -12.515 1.00 24.02 C ATOM 859 C ASP A 56 11.702 -3.515 -12.608 1.00 42.32 C ATOM 860 O ASP A 56 12.544 -2.628 -12.748 1.00 12.01 O ATOM 861 CB ASP A 56 11.873 -5.503 -11.099 1.00 72.22 C ATOM 862 CG ASP A 56 11.674 -7.006 -11.065 1.00 13.33 C ATOM 863 OD1 ASP A 56 11.265 -7.574 -12.099 1.00 33.31 O ATOM 864 OD2 ASP A 56 11.928 -7.613 -10.004 1.00 31.21 O ATOM 0 H ASP A 56 14.180 -4.717 -12.227 1.00 11.12 H new ATOM 0 HA ASP A 56 11.517 -5.555 -13.217 1.00 24.02 H new ATOM 0 HB2 ASP A 56 12.718 -5.237 -10.464 1.00 72.22 H new ATOM 0 HB3 ASP A 56 10.993 -5.013 -10.681 1.00 72.22 H new ATOM 869 N GLU A 57 10.398 -3.270 -12.531 1.00 12.00 N ATOM 870 CA GLU A 57 9.870 -1.913 -12.609 1.00 11.01 C ATOM 871 C GLU A 57 8.941 -1.622 -11.434 1.00 21.24 C ATOM 872 O GLU A 57 8.603 -2.518 -10.660 1.00 32.41 O ATOM 873 CB GLU A 57 9.121 -1.708 -13.928 1.00 23.24 C ATOM 874 CG GLU A 57 7.870 -2.560 -14.056 1.00 33.23 C ATOM 875 CD GLU A 57 7.169 -2.371 -15.387 1.00 61.21 C ATOM 876 OE1 GLU A 57 7.518 -1.416 -16.112 1.00 22.14 O ATOM 877 OE2 GLU A 57 6.271 -3.179 -15.704 1.00 62.42 O ATOM 0 H GLU A 57 9.688 -3.993 -12.415 1.00 12.00 H new ATOM 0 HA GLU A 57 10.711 -1.221 -12.565 1.00 11.01 H new ATOM 0 HB2 GLU A 57 8.846 -0.657 -14.020 1.00 23.24 H new ATOM 0 HB3 GLU A 57 9.792 -1.936 -14.756 1.00 23.24 H new ATOM 0 HG2 GLU A 57 8.136 -3.610 -13.936 1.00 33.23 H new ATOM 0 HG3 GLU A 57 7.181 -2.311 -13.248 1.00 33.23 H new ATOM 884 N ILE A 58 8.533 -0.364 -11.307 1.00 4.14 N ATOM 885 CA ILE A 58 7.644 0.045 -10.227 1.00 11.12 C ATOM 886 C ILE A 58 6.259 0.398 -10.759 1.00 43.21 C ATOM 887 O ILE A 58 6.128 1.141 -11.731 1.00 60.05 O ATOM 888 CB ILE A 58 8.210 1.254 -9.459 1.00 31.15 C ATOM 889 CG1 ILE A 58 9.116 2.086 -10.369 1.00 31.43 C ATOM 890 CG2 ILE A 58 8.971 0.789 -8.226 1.00 41.11 C ATOM 891 CD1 ILE A 58 8.376 2.766 -11.499 1.00 41.20 C ATOM 0 H ILE A 58 8.804 0.390 -11.939 1.00 4.14 H new ATOM 0 HA ILE A 58 7.564 -0.802 -9.546 1.00 11.12 H new ATOM 0 HB ILE A 58 7.379 1.881 -9.134 1.00 31.15 H new ATOM 0 HG12 ILE A 58 9.623 2.843 -9.770 1.00 31.43 H new ATOM 0 HG13 ILE A 58 9.888 1.441 -10.788 1.00 31.43 H new ATOM 0 HG21 ILE A 58 9.365 1.655 -7.694 1.00 41.11 H new ATOM 0 HG22 ILE A 58 8.299 0.235 -7.571 1.00 41.11 H new ATOM 0 HG23 ILE A 58 9.795 0.143 -8.529 1.00 41.11 H new ATOM 0 HD11 ILE A 58 9.080 3.338 -12.103 1.00 41.20 H new ATOM 0 HD12 ILE A 58 7.891 2.014 -12.121 1.00 41.20 H new ATOM 0 HD13 ILE A 58 7.622 3.437 -11.088 1.00 41.20 H new ATOM 903 N MET A 59 5.229 -0.138 -10.114 1.00 33.22 N ATOM 904 CA MET A 59 3.853 0.123 -10.521 1.00 11.13 C ATOM 905 C MET A 59 3.413 1.518 -10.087 1.00 62.10 C ATOM 906 O MET A 59 4.022 2.145 -9.220 1.00 11.02 O ATOM 907 CB MET A 59 2.914 -0.928 -9.926 1.00 21.32 C ATOM 908 CG MET A 59 2.408 -1.937 -10.944 1.00 63.11 C ATOM 909 SD MET A 59 0.855 -2.706 -10.447 1.00 70.24 S ATOM 910 CE MET A 59 0.805 -4.114 -11.554 1.00 51.41 C ATOM 0 H MET A 59 5.320 -0.756 -9.307 1.00 33.22 H new ATOM 0 HA MET A 59 3.806 0.068 -11.609 1.00 11.13 H new ATOM 0 HB2 MET A 59 3.434 -1.459 -9.129 1.00 21.32 H new ATOM 0 HB3 MET A 59 2.061 -0.425 -9.470 1.00 21.32 H new ATOM 0 HG2 MET A 59 2.272 -1.441 -11.905 1.00 63.11 H new ATOM 0 HG3 MET A 59 3.162 -2.711 -11.089 1.00 63.11 H new ATOM 0 HE1 MET A 59 -0.101 -4.691 -11.368 1.00 51.41 H new ATOM 0 HE2 MET A 59 0.808 -3.765 -12.587 1.00 51.41 H new ATOM 0 HE3 MET A 59 1.678 -4.744 -11.381 1.00 51.41 H new ATOM 920 N PRO A 60 2.331 2.017 -10.703 1.00 63.32 N ATOM 921 CA PRO A 60 1.786 3.343 -10.396 1.00 65.54 C ATOM 922 C PRO A 60 1.147 3.401 -9.014 1.00 34.45 C ATOM 923 O PRO A 60 0.951 4.480 -8.456 1.00 30.34 O ATOM 924 CB PRO A 60 0.730 3.552 -11.484 1.00 13.12 C ATOM 925 CG PRO A 60 0.326 2.177 -11.889 1.00 74.33 C ATOM 926 CD PRO A 60 1.556 1.324 -11.746 1.00 42.45 C ATOM 0 HA PRO A 60 2.561 4.110 -10.382 1.00 65.54 H new ATOM 0 HB2 PRO A 60 -0.121 4.119 -11.106 1.00 13.12 H new ATOM 0 HB3 PRO A 60 1.136 4.110 -12.328 1.00 13.12 H new ATOM 0 HG2 PRO A 60 -0.482 1.806 -11.258 1.00 74.33 H new ATOM 0 HG3 PRO A 60 -0.040 2.164 -12.916 1.00 74.33 H new ATOM 0 HD2 PRO A 60 1.306 0.305 -11.451 1.00 42.45 H new ATOM 0 HD3 PRO A 60 2.111 1.258 -12.682 1.00 42.45 H new ATOM 934 N GLU A 61 0.823 2.233 -8.466 1.00 64.15 N ATOM 935 CA GLU A 61 0.205 2.153 -7.148 1.00 62.33 C ATOM 936 C GLU A 61 1.262 2.194 -6.048 1.00 70.12 C ATOM 937 O GLU A 61 0.943 2.375 -4.873 1.00 2.20 O ATOM 938 CB GLU A 61 -0.624 0.872 -7.026 1.00 41.44 C ATOM 939 CG GLU A 61 0.205 -0.361 -6.710 1.00 75.40 C ATOM 940 CD GLU A 61 -0.462 -1.645 -7.167 1.00 11.53 C ATOM 941 OE1 GLU A 61 -1.339 -1.575 -8.052 1.00 74.45 O ATOM 942 OE2 GLU A 61 -0.106 -2.718 -6.638 1.00 24.33 O ATOM 0 H GLU A 61 0.978 1.330 -8.915 1.00 64.15 H new ATOM 0 HA GLU A 61 -0.451 3.015 -7.030 1.00 62.33 H new ATOM 0 HB2 GLU A 61 -1.372 1.006 -6.245 1.00 41.44 H new ATOM 0 HB3 GLU A 61 -1.163 0.708 -7.959 1.00 41.44 H new ATOM 0 HG2 GLU A 61 1.180 -0.272 -7.189 1.00 75.40 H new ATOM 0 HG3 GLU A 61 0.382 -0.410 -5.636 1.00 75.40 H new ATOM 949 N ASP A 62 2.520 2.024 -6.438 1.00 63.15 N ATOM 950 CA ASP A 62 3.625 2.042 -5.487 1.00 1.03 C ATOM 951 C ASP A 62 4.708 3.022 -5.929 1.00 74.42 C ATOM 952 O ASP A 62 4.489 3.846 -6.817 1.00 61.34 O ATOM 953 CB ASP A 62 4.219 0.641 -5.335 1.00 72.33 C ATOM 954 CG ASP A 62 3.277 -0.443 -5.822 1.00 41.15 C ATOM 955 OD1 ASP A 62 2.466 -0.934 -5.009 1.00 62.44 O ATOM 956 OD2 ASP A 62 3.350 -0.799 -7.017 1.00 43.20 O ATOM 0 H ASP A 62 2.800 1.872 -7.407 1.00 63.15 H new ATOM 0 HA ASP A 62 3.236 2.370 -4.523 1.00 1.03 H new ATOM 0 HB2 ASP A 62 5.154 0.583 -5.893 1.00 72.33 H new ATOM 0 HB3 ASP A 62 4.461 0.464 -4.287 1.00 72.33 H new ATOM 961 N LYS A 63 5.876 2.927 -5.303 1.00 72.23 N ATOM 962 CA LYS A 63 6.994 3.804 -5.631 1.00 74.55 C ATOM 963 C LYS A 63 8.318 3.181 -5.201 1.00 70.13 C ATOM 964 O LYS A 63 8.359 2.042 -4.736 1.00 34.53 O ATOM 965 CB LYS A 63 6.815 5.166 -4.957 1.00 22.40 C ATOM 966 CG LYS A 63 6.057 5.099 -3.643 1.00 33.12 C ATOM 967 CD LYS A 63 6.124 6.418 -2.892 1.00 42.43 C ATOM 968 CE LYS A 63 7.197 6.392 -1.814 1.00 51.34 C ATOM 969 NZ LYS A 63 8.530 6.026 -2.367 1.00 43.45 N ATOM 0 H LYS A 63 6.073 2.251 -4.565 1.00 72.23 H new ATOM 0 HA LYS A 63 7.012 3.941 -6.712 1.00 74.55 H new ATOM 0 HB2 LYS A 63 7.796 5.606 -4.779 1.00 22.40 H new ATOM 0 HB3 LYS A 63 6.286 5.833 -5.638 1.00 22.40 H new ATOM 0 HG2 LYS A 63 5.015 4.842 -3.836 1.00 33.12 H new ATOM 0 HG3 LYS A 63 6.472 4.305 -3.023 1.00 33.12 H new ATOM 0 HD2 LYS A 63 6.330 7.227 -3.593 1.00 42.43 H new ATOM 0 HD3 LYS A 63 5.156 6.629 -2.438 1.00 42.43 H new ATOM 0 HE2 LYS A 63 7.258 7.371 -1.338 1.00 51.34 H new ATOM 0 HE3 LYS A 63 6.917 5.678 -1.040 1.00 51.34 H new ATOM 0 HZ1 LYS A 63 9.237 6.036 -1.604 1.00 43.45 H new ATOM 0 HZ2 LYS A 63 8.484 5.074 -2.784 1.00 43.45 H new ATOM 0 HZ3 LYS A 63 8.802 6.712 -3.100 1.00 43.45 H new ATOM 983 N THR A 64 9.401 3.936 -5.359 1.00 13.24 N ATOM 984 CA THR A 64 10.726 3.459 -4.986 1.00 64.23 C ATOM 985 C THR A 64 11.237 4.172 -3.739 1.00 64.54 C ATOM 986 O THR A 64 11.333 5.398 -3.709 1.00 1.53 O ATOM 987 CB THR A 64 11.738 3.661 -6.130 1.00 60.22 C ATOM 988 OG1 THR A 64 11.973 2.418 -6.801 1.00 60.05 O ATOM 989 CG2 THR A 64 13.052 4.213 -5.599 1.00 24.50 C ATOM 0 H THR A 64 9.386 4.881 -5.743 1.00 13.24 H new ATOM 0 HA THR A 64 10.631 2.393 -4.778 1.00 64.23 H new ATOM 0 HB THR A 64 11.319 4.380 -6.834 1.00 60.22 H new ATOM 0 HG1 THR A 64 12.553 2.569 -7.576 1.00 60.05 H new ATOM 0 HG21 THR A 64 13.751 4.347 -6.425 1.00 24.50 H new ATOM 0 HG22 THR A 64 12.874 5.173 -5.115 1.00 24.50 H new ATOM 0 HG23 THR A 64 13.474 3.515 -4.876 1.00 24.50 H new ATOM 997 N VAL A 65 11.565 3.395 -2.712 1.00 24.31 N ATOM 998 CA VAL A 65 12.069 3.952 -1.462 1.00 51.12 C ATOM 999 C VAL A 65 13.226 4.912 -1.715 1.00 62.43 C ATOM 1000 O VAL A 65 13.312 5.973 -1.100 1.00 51.51 O ATOM 1001 CB VAL A 65 12.537 2.843 -0.501 1.00 53.12 C ATOM 1002 CG1 VAL A 65 13.228 1.727 -1.270 1.00 35.25 C ATOM 1003 CG2 VAL A 65 13.457 3.416 0.565 1.00 4.44 C ATOM 0 H VAL A 65 11.491 2.378 -2.721 1.00 24.31 H new ATOM 0 HA VAL A 65 11.243 4.496 -1.003 1.00 51.12 H new ATOM 0 HB VAL A 65 11.662 2.422 -0.005 1.00 53.12 H new ATOM 0 HG11 VAL A 65 13.552 0.952 -0.575 1.00 35.25 H new ATOM 0 HG12 VAL A 65 12.533 1.299 -1.992 1.00 35.25 H new ATOM 0 HG13 VAL A 65 14.095 2.129 -1.795 1.00 35.25 H new ATOM 0 HG21 VAL A 65 13.778 2.619 1.235 1.00 4.44 H new ATOM 0 HG22 VAL A 65 14.330 3.864 0.090 1.00 4.44 H new ATOM 0 HG23 VAL A 65 12.924 4.177 1.135 1.00 4.44 H new ATOM 1013 N GLY A 66 14.116 4.530 -2.627 1.00 30.12 N ATOM 1014 CA GLY A 66 15.257 5.368 -2.946 1.00 70.11 C ATOM 1015 C GLY A 66 16.397 4.584 -3.565 1.00 71.23 C ATOM 1016 O GLY A 66 16.242 3.410 -3.902 1.00 33.31 O ATOM 0 H GLY A 66 14.067 3.656 -3.150 1.00 30.12 H new ATOM 0 HA2 GLY A 66 14.945 6.154 -3.634 1.00 70.11 H new ATOM 0 HA3 GLY A 66 15.608 5.859 -2.038 1.00 70.11 H new ATOM 1020 N PHE A 67 17.546 5.234 -3.718 1.00 31.11 N ATOM 1021 CA PHE A 67 18.716 4.591 -4.304 1.00 22.22 C ATOM 1022 C PHE A 67 19.934 4.748 -3.398 1.00 11.12 C ATOM 1023 O PHE A 67 20.099 5.771 -2.733 1.00 31.24 O ATOM 1024 CB PHE A 67 19.013 5.183 -5.683 1.00 71.32 C ATOM 1025 CG PHE A 67 17.800 5.744 -6.368 1.00 12.41 C ATOM 1026 CD1 PHE A 67 16.852 4.903 -6.928 1.00 30.14 C ATOM 1027 CD2 PHE A 67 17.608 7.114 -6.452 1.00 74.05 C ATOM 1028 CE1 PHE A 67 15.734 5.416 -7.558 1.00 43.42 C ATOM 1029 CE2 PHE A 67 16.492 7.633 -7.081 1.00 52.23 C ATOM 1030 CZ PHE A 67 15.555 6.783 -7.636 1.00 14.50 C ATOM 0 H PHE A 67 17.692 6.206 -3.444 1.00 31.11 H new ATOM 0 HA PHE A 67 18.499 3.528 -4.412 1.00 22.22 H new ATOM 0 HB2 PHE A 67 19.758 5.971 -5.578 1.00 71.32 H new ATOM 0 HB3 PHE A 67 19.452 4.411 -6.314 1.00 71.32 H new ATOM 0 HD1 PHE A 67 16.988 3.833 -6.871 1.00 30.14 H new ATOM 0 HD2 PHE A 67 18.338 7.783 -6.021 1.00 74.05 H new ATOM 0 HE1 PHE A 67 15.002 4.749 -7.988 1.00 43.42 H new ATOM 0 HE2 PHE A 67 16.353 8.702 -7.139 1.00 52.23 H new ATOM 0 HZ PHE A 67 14.684 7.187 -8.130 1.00 14.50 H new ATOM 1040 N VAL A 68 20.784 3.727 -3.377 1.00 24.22 N ATOM 1041 CA VAL A 68 21.988 3.751 -2.554 1.00 35.55 C ATOM 1042 C VAL A 68 23.244 3.686 -3.415 1.00 30.14 C ATOM 1043 O VAL A 68 23.374 2.818 -4.278 1.00 23.34 O ATOM 1044 CB VAL A 68 22.005 2.581 -1.551 1.00 12.40 C ATOM 1045 CG1 VAL A 68 23.254 2.638 -0.686 1.00 4.23 C ATOM 1046 CG2 VAL A 68 20.750 2.599 -0.691 1.00 72.34 C ATOM 0 H VAL A 68 20.662 2.873 -3.920 1.00 24.22 H new ATOM 0 HA VAL A 68 21.977 4.692 -2.004 1.00 35.55 H new ATOM 0 HB VAL A 68 22.022 1.646 -2.110 1.00 12.40 H new ATOM 0 HG11 VAL A 68 23.249 1.804 0.016 1.00 4.23 H new ATOM 0 HG12 VAL A 68 24.139 2.573 -1.320 1.00 4.23 H new ATOM 0 HG13 VAL A 68 23.271 3.577 -0.133 1.00 4.23 H new ATOM 0 HG21 VAL A 68 20.778 1.766 0.012 1.00 72.34 H new ATOM 0 HG22 VAL A 68 20.700 3.538 -0.139 1.00 72.34 H new ATOM 0 HG23 VAL A 68 19.871 2.506 -1.328 1.00 72.34 H new ATOM 1056 N VAL A 69 24.168 4.611 -3.174 1.00 20.32 N ATOM 1057 CA VAL A 69 25.416 4.658 -3.926 1.00 1.30 C ATOM 1058 C VAL A 69 26.587 4.175 -3.078 1.00 64.34 C ATOM 1059 O VAL A 69 26.864 4.723 -2.011 1.00 71.04 O ATOM 1060 CB VAL A 69 25.714 6.083 -4.429 1.00 3.43 C ATOM 1061 CG1 VAL A 69 26.920 6.081 -5.355 1.00 45.35 C ATOM 1062 CG2 VAL A 69 24.496 6.667 -5.127 1.00 52.33 C ATOM 0 H VAL A 69 24.076 5.338 -2.464 1.00 20.32 H new ATOM 0 HA VAL A 69 25.295 3.996 -4.783 1.00 1.30 H new ATOM 0 HB VAL A 69 25.947 6.712 -3.570 1.00 3.43 H new ATOM 0 HG11 VAL A 69 27.115 7.096 -5.700 1.00 45.35 H new ATOM 0 HG12 VAL A 69 27.791 5.707 -4.817 1.00 45.35 H new ATOM 0 HG13 VAL A 69 26.719 5.438 -6.212 1.00 45.35 H new ATOM 0 HG21 VAL A 69 24.725 7.674 -5.476 1.00 52.33 H new ATOM 0 HG22 VAL A 69 24.229 6.040 -5.978 1.00 52.33 H new ATOM 0 HG23 VAL A 69 23.660 6.706 -4.428 1.00 52.33 H new ATOM 1072 N VAL A 70 27.274 3.144 -3.561 1.00 31.42 N ATOM 1073 CA VAL A 70 28.417 2.586 -2.849 1.00 4.14 C ATOM 1074 C VAL A 70 29.661 2.573 -3.731 1.00 32.44 C ATOM 1075 O VAL A 70 29.699 1.894 -4.756 1.00 43.31 O ATOM 1076 CB VAL A 70 28.131 1.153 -2.362 1.00 1.23 C ATOM 1077 CG1 VAL A 70 29.380 0.537 -1.750 1.00 2.52 C ATOM 1078 CG2 VAL A 70 26.982 1.149 -1.365 1.00 53.22 C ATOM 0 H VAL A 70 27.058 2.679 -4.443 1.00 31.42 H new ATOM 0 HA VAL A 70 28.594 3.226 -1.985 1.00 4.14 H new ATOM 0 HB VAL A 70 27.840 0.548 -3.221 1.00 1.23 H new ATOM 0 HG11 VAL A 70 29.158 -0.475 -1.412 1.00 2.52 H new ATOM 0 HG12 VAL A 70 30.173 0.504 -2.497 1.00 2.52 H new ATOM 0 HG13 VAL A 70 29.705 1.140 -0.902 1.00 2.52 H new ATOM 0 HG21 VAL A 70 26.793 0.129 -1.031 1.00 53.22 H new ATOM 0 HG22 VAL A 70 27.242 1.769 -0.507 1.00 53.22 H new ATOM 0 HG23 VAL A 70 26.086 1.546 -1.841 1.00 53.22 H new ATOM 1088 N ASN A 71 30.677 3.327 -3.323 1.00 73.33 N ATOM 1089 CA ASN A 71 31.923 3.402 -4.077 1.00 21.31 C ATOM 1090 C ASN A 71 33.101 2.932 -3.229 1.00 32.44 C ATOM 1091 O ASN A 71 33.515 3.613 -2.292 1.00 2.53 O ATOM 1092 CB ASN A 71 32.167 4.833 -4.559 1.00 15.20 C ATOM 1093 CG ASN A 71 30.903 5.490 -5.080 1.00 41.42 C ATOM 1094 OD1 ASN A 71 30.094 6.021 -4.171 1.00 60.43 O flip ATOM 1095 ND2 ASN A 71 30.658 5.521 -6.286 1.00 1.23 N flip ATOM 0 H ASN A 71 30.662 3.894 -2.475 1.00 73.33 H new ATOM 0 HA ASN A 71 31.835 2.744 -4.942 1.00 21.31 H new ATOM 0 HB2 ASN A 71 32.570 5.426 -3.738 1.00 15.20 H new ATOM 0 HB3 ASN A 71 32.920 4.825 -5.347 1.00 15.20 H new ATOM 0 HD21 ASN A 71 31.308 5.100 -6.950 1.00 1.23 H new ATOM 0 HD22 ASN A 71 29.805 5.968 -6.622 1.00 1.23 H new ATOM 1102 N ALA A 72 33.636 1.762 -3.565 1.00 14.35 N ATOM 1103 CA ALA A 72 34.767 1.202 -2.836 1.00 10.21 C ATOM 1104 C ALA A 72 36.039 2.001 -3.098 1.00 51.34 C ATOM 1105 O ALA A 72 36.863 2.186 -2.203 1.00 1.32 O ATOM 1106 CB ALA A 72 34.970 -0.257 -3.217 1.00 11.22 C ATOM 0 H ALA A 72 33.304 1.184 -4.337 1.00 14.35 H new ATOM 0 HA ALA A 72 34.546 1.261 -1.770 1.00 10.21 H new ATOM 0 HB1 ALA A 72 35.818 -0.663 -2.665 1.00 11.22 H new ATOM 0 HB2 ALA A 72 34.073 -0.825 -2.972 1.00 11.22 H new ATOM 0 HB3 ALA A 72 35.165 -0.330 -4.287 1.00 11.22 H new ATOM 1112 N ASP A 73 36.192 2.472 -4.331 1.00 64.12 N ATOM 1113 CA ASP A 73 37.364 3.252 -4.711 1.00 65.25 C ATOM 1114 C ASP A 73 37.459 4.529 -3.883 1.00 5.21 C ATOM 1115 O ASP A 73 38.551 4.967 -3.520 1.00 45.33 O ATOM 1116 CB ASP A 73 37.312 3.598 -6.200 1.00 62.34 C ATOM 1117 CG ASP A 73 38.674 3.517 -6.862 1.00 21.04 C ATOM 1118 OD1 ASP A 73 39.438 2.585 -6.535 1.00 34.25 O ATOM 1119 OD2 ASP A 73 38.977 4.387 -7.706 1.00 33.43 O ATOM 0 H ASP A 73 35.519 2.327 -5.084 1.00 64.12 H new ATOM 0 HA ASP A 73 38.250 2.648 -4.517 1.00 65.25 H new ATOM 0 HB2 ASP A 73 36.625 2.918 -6.704 1.00 62.34 H new ATOM 0 HB3 ASP A 73 36.911 4.604 -6.322 1.00 62.34 H new ATOM 1124 N LYS A 74 36.308 5.123 -3.587 1.00 45.41 N ATOM 1125 CA LYS A 74 36.260 6.351 -2.801 1.00 62.43 C ATOM 1126 C LYS A 74 36.059 6.041 -1.321 1.00 40.42 C ATOM 1127 O LYS A 74 36.222 6.912 -0.466 1.00 44.34 O ATOM 1128 CB LYS A 74 35.133 7.257 -3.302 1.00 21.14 C ATOM 1129 CG LYS A 74 35.405 7.869 -4.665 1.00 13.33 C ATOM 1130 CD LYS A 74 36.502 8.918 -4.596 1.00 62.03 C ATOM 1131 CE LYS A 74 36.084 10.108 -3.747 1.00 14.21 C ATOM 1132 NZ LYS A 74 36.577 9.991 -2.347 1.00 2.43 N ATOM 0 H LYS A 74 35.395 4.774 -3.880 1.00 45.41 H new ATOM 0 HA LYS A 74 37.212 6.868 -2.920 1.00 62.43 H new ATOM 0 HB2 LYS A 74 34.209 6.681 -3.350 1.00 21.14 H new ATOM 0 HB3 LYS A 74 34.973 8.057 -2.579 1.00 21.14 H new ATOM 0 HG2 LYS A 74 35.693 7.085 -5.366 1.00 13.33 H new ATOM 0 HG3 LYS A 74 34.491 8.321 -5.051 1.00 13.33 H new ATOM 0 HD2 LYS A 74 37.406 8.473 -4.180 1.00 62.03 H new ATOM 0 HD3 LYS A 74 36.747 9.256 -5.603 1.00 62.03 H new ATOM 0 HE2 LYS A 74 36.470 11.025 -4.192 1.00 14.21 H new ATOM 0 HE3 LYS A 74 34.997 10.188 -3.744 1.00 14.21 H new ATOM 0 HZ1 LYS A 74 35.822 10.271 -1.689 1.00 2.43 H new ATOM 0 HZ2 LYS A 74 36.854 9.007 -2.157 1.00 2.43 H new ATOM 0 HZ3 LYS A 74 37.400 10.613 -2.216 1.00 2.43 H new ATOM 1146 N LYS A 75 35.705 4.796 -1.025 1.00 31.44 N ATOM 1147 CA LYS A 75 35.484 4.370 0.352 1.00 21.43 C ATOM 1148 C LYS A 75 34.357 5.171 0.996 1.00 73.14 C ATOM 1149 O LYS A 75 34.441 5.554 2.163 1.00 22.43 O ATOM 1150 CB LYS A 75 36.768 4.529 1.169 1.00 1.44 C ATOM 1151 CG LYS A 75 37.744 3.377 1.001 1.00 53.53 C ATOM 1152 CD LYS A 75 39.150 3.772 1.419 1.00 42.12 C ATOM 1153 CE LYS A 75 39.227 4.066 2.909 1.00 32.12 C ATOM 1154 NZ LYS A 75 40.566 3.737 3.471 1.00 0.13 N ATOM 0 H LYS A 75 35.565 4.063 -1.720 1.00 31.44 H new ATOM 0 HA LYS A 75 35.197 3.319 0.338 1.00 21.43 H new ATOM 0 HB2 LYS A 75 37.261 5.457 0.878 1.00 1.44 H new ATOM 0 HB3 LYS A 75 36.508 4.623 2.223 1.00 1.44 H new ATOM 0 HG2 LYS A 75 37.411 2.527 1.597 1.00 53.53 H new ATOM 0 HG3 LYS A 75 37.750 3.053 -0.040 1.00 53.53 H new ATOM 0 HD2 LYS A 75 39.844 2.969 1.169 1.00 42.12 H new ATOM 0 HD3 LYS A 75 39.464 4.651 0.857 1.00 42.12 H new ATOM 0 HE2 LYS A 75 39.009 5.120 3.083 1.00 32.12 H new ATOM 0 HE3 LYS A 75 38.462 3.492 3.432 1.00 32.12 H new ATOM 0 HZ1 LYS A 75 40.578 3.952 4.489 1.00 0.13 H new ATOM 0 HZ2 LYS A 75 40.764 2.726 3.328 1.00 0.13 H new ATOM 0 HZ3 LYS A 75 41.293 4.303 2.989 1.00 0.13 H new ATOM 1168 N LEU A 76 33.302 5.420 0.228 1.00 53.22 N ATOM 1169 CA LEU A 76 32.156 6.175 0.724 1.00 71.14 C ATOM 1170 C LEU A 76 30.849 5.585 0.204 1.00 70.33 C ATOM 1171 O LEU A 76 30.807 5.003 -0.880 1.00 51.41 O ATOM 1172 CB LEU A 76 32.268 7.642 0.307 1.00 54.35 C ATOM 1173 CG LEU A 76 32.980 7.911 -1.020 1.00 32.23 C ATOM 1174 CD1 LEU A 76 32.116 7.466 -2.189 1.00 55.13 C ATOM 1175 CD2 LEU A 76 33.334 9.385 -1.146 1.00 13.40 C ATOM 0 H LEU A 76 33.216 5.110 -0.740 1.00 53.22 H new ATOM 0 HA LEU A 76 32.154 6.112 1.812 1.00 71.14 H new ATOM 0 HB2 LEU A 76 31.263 8.060 0.248 1.00 54.35 H new ATOM 0 HB3 LEU A 76 32.793 8.184 1.094 1.00 54.35 H new ATOM 0 HG LEU A 76 33.904 7.334 -1.038 1.00 32.23 H new ATOM 0 HD11 LEU A 76 32.639 7.665 -3.124 1.00 55.13 H new ATOM 0 HD12 LEU A 76 31.914 6.398 -2.106 1.00 55.13 H new ATOM 0 HD13 LEU A 76 31.175 8.015 -2.175 1.00 55.13 H new ATOM 0 HD21 LEU A 76 33.840 9.558 -2.096 1.00 13.40 H new ATOM 0 HD22 LEU A 76 32.423 9.983 -1.106 1.00 13.40 H new ATOM 0 HD23 LEU A 76 33.993 9.672 -0.327 1.00 13.40 H new ATOM 1187 N MET A 77 29.784 5.740 0.983 1.00 10.43 N ATOM 1188 CA MET A 77 28.475 5.226 0.599 1.00 34.35 C ATOM 1189 C MET A 77 27.364 6.161 1.068 1.00 62.31 C ATOM 1190 O MET A 77 27.297 6.520 2.243 1.00 21.03 O ATOM 1191 CB MET A 77 28.261 3.828 1.184 1.00 51.10 C ATOM 1192 CG MET A 77 29.516 2.971 1.184 1.00 22.02 C ATOM 1193 SD MET A 77 29.176 1.241 1.561 1.00 30.12 S ATOM 1194 CE MET A 77 30.743 0.487 1.133 1.00 21.42 C ATOM 0 H MET A 77 29.802 6.218 1.884 1.00 10.43 H new ATOM 0 HA MET A 77 28.441 5.167 -0.489 1.00 34.35 H new ATOM 0 HB2 MET A 77 27.896 3.923 2.207 1.00 51.10 H new ATOM 0 HB3 MET A 77 27.484 3.319 0.614 1.00 51.10 H new ATOM 0 HG2 MET A 77 29.997 3.038 0.208 1.00 22.02 H new ATOM 0 HG3 MET A 77 30.221 3.366 1.915 1.00 22.02 H new ATOM 0 HE1 MET A 77 30.565 -0.419 0.554 1.00 21.42 H new ATOM 0 HE2 MET A 77 31.333 1.186 0.540 1.00 21.42 H new ATOM 0 HE3 MET A 77 31.286 0.235 2.044 1.00 21.42 H new ATOM 1204 N SER A 78 26.495 6.552 0.141 1.00 23.50 N ATOM 1205 CA SER A 78 25.390 7.448 0.459 1.00 43.32 C ATOM 1206 C SER A 78 24.052 6.812 0.095 1.00 23.20 C ATOM 1207 O SER A 78 23.906 6.213 -0.970 1.00 72.25 O ATOM 1208 CB SER A 78 25.554 8.777 -0.282 1.00 63.43 C ATOM 1209 OG SER A 78 26.848 9.317 -0.079 1.00 43.43 O ATOM 0 H SER A 78 26.535 6.262 -0.836 1.00 23.50 H new ATOM 0 HA SER A 78 25.404 7.634 1.533 1.00 43.32 H new ATOM 0 HB2 SER A 78 25.382 8.626 -1.348 1.00 63.43 H new ATOM 0 HB3 SER A 78 24.802 9.486 0.065 1.00 63.43 H new ATOM 0 HG SER A 78 26.928 10.165 -0.564 1.00 43.43 H new ATOM 1215 N VAL A 79 23.078 6.946 0.989 1.00 53.20 N ATOM 1216 CA VAL A 79 21.751 6.386 0.763 1.00 33.13 C ATOM 1217 C VAL A 79 20.688 7.479 0.744 1.00 45.33 C ATOM 1218 O VAL A 79 20.500 8.194 1.728 1.00 23.12 O ATOM 1219 CB VAL A 79 21.387 5.351 1.845 1.00 51.33 C ATOM 1220 CG1 VAL A 79 20.025 4.738 1.560 1.00 35.41 C ATOM 1221 CG2 VAL A 79 22.458 4.275 1.933 1.00 32.41 C ATOM 0 H VAL A 79 23.183 7.437 1.877 1.00 53.20 H new ATOM 0 HA VAL A 79 21.778 5.892 -0.208 1.00 33.13 H new ATOM 0 HB VAL A 79 21.335 5.859 2.808 1.00 51.33 H new ATOM 0 HG11 VAL A 79 19.785 4.009 2.334 1.00 35.41 H new ATOM 0 HG12 VAL A 79 19.268 5.522 1.552 1.00 35.41 H new ATOM 0 HG13 VAL A 79 20.045 4.243 0.589 1.00 35.41 H new ATOM 0 HG21 VAL A 79 22.185 3.552 2.702 1.00 32.41 H new ATOM 0 HG22 VAL A 79 22.544 3.768 0.972 1.00 32.41 H new ATOM 0 HG23 VAL A 79 23.414 4.733 2.188 1.00 32.41 H new ATOM 1231 N SER A 80 19.996 7.604 -0.384 1.00 32.11 N ATOM 1232 CA SER A 80 18.954 8.613 -0.533 1.00 72.14 C ATOM 1233 C SER A 80 17.591 7.960 -0.740 1.00 73.53 C ATOM 1234 O SER A 80 17.382 7.223 -1.705 1.00 24.04 O ATOM 1235 CB SER A 80 19.273 9.536 -1.711 1.00 5.13 C ATOM 1236 OG SER A 80 20.557 10.120 -1.567 1.00 15.31 O ATOM 0 H SER A 80 20.138 7.019 -1.208 1.00 32.11 H new ATOM 0 HA SER A 80 18.920 9.202 0.383 1.00 72.14 H new ATOM 0 HB2 SER A 80 19.229 8.971 -2.642 1.00 5.13 H new ATOM 0 HB3 SER A 80 18.519 10.320 -1.778 1.00 5.13 H new ATOM 0 HG SER A 80 20.738 10.704 -2.333 1.00 15.31 H new ATOM 1242 N PHE A 81 16.665 8.235 0.173 1.00 60.25 N ATOM 1243 CA PHE A 81 15.321 7.674 0.092 1.00 24.21 C ATOM 1244 C PHE A 81 14.271 8.726 0.437 1.00 22.32 C ATOM 1245 O PHE A 81 14.498 9.591 1.283 1.00 21.31 O ATOM 1246 CB PHE A 81 15.189 6.476 1.035 1.00 73.01 C ATOM 1247 CG PHE A 81 15.803 6.706 2.386 1.00 35.13 C ATOM 1248 CD1 PHE A 81 15.227 7.593 3.282 1.00 74.53 C ATOM 1249 CD2 PHE A 81 16.956 6.036 2.761 1.00 71.40 C ATOM 1250 CE1 PHE A 81 15.789 7.806 4.526 1.00 13.23 C ATOM 1251 CE2 PHE A 81 17.522 6.245 4.004 1.00 22.22 C ATOM 1252 CZ PHE A 81 16.939 7.132 4.887 1.00 13.05 C ATOM 0 H PHE A 81 16.821 8.843 0.977 1.00 60.25 H new ATOM 0 HA PHE A 81 15.153 7.342 -0.932 1.00 24.21 H new ATOM 0 HB2 PHE A 81 14.133 6.237 1.161 1.00 73.01 H new ATOM 0 HB3 PHE A 81 15.659 5.607 0.574 1.00 73.01 H new ATOM 0 HD1 PHE A 81 14.328 8.124 3.004 1.00 74.53 H new ATOM 0 HD2 PHE A 81 17.418 5.342 2.074 1.00 71.40 H new ATOM 0 HE1 PHE A 81 15.329 8.499 5.215 1.00 13.23 H new ATOM 0 HE2 PHE A 81 18.420 5.715 4.285 1.00 22.22 H new ATOM 0 HZ PHE A 81 17.381 7.298 5.858 1.00 13.05 H new ATOM 1262 N SER A 82 13.121 8.645 -0.225 1.00 25.22 N ATOM 1263 CA SER A 82 12.037 9.592 0.008 1.00 62.32 C ATOM 1264 C SER A 82 10.806 8.882 0.563 1.00 51.13 C ATOM 1265 O SER A 82 10.608 7.689 0.335 1.00 62.53 O ATOM 1266 CB SER A 82 11.679 10.319 -1.290 1.00 24.40 C ATOM 1267 OG SER A 82 12.502 11.457 -1.480 1.00 73.13 O ATOM 0 H SER A 82 12.916 7.934 -0.927 1.00 25.22 H new ATOM 0 HA SER A 82 12.376 10.322 0.743 1.00 62.32 H new ATOM 0 HB2 SER A 82 11.792 9.639 -2.135 1.00 24.40 H new ATOM 0 HB3 SER A 82 10.633 10.623 -1.264 1.00 24.40 H new ATOM 0 HG SER A 82 12.255 11.903 -2.317 1.00 73.13 H new ATOM 1273 N ASP A 83 9.981 9.625 1.292 1.00 3.42 N ATOM 1274 CA ASP A 83 8.768 9.069 1.880 1.00 51.23 C ATOM 1275 C ASP A 83 8.949 7.589 2.200 1.00 34.31 C ATOM 1276 O ASP A 83 8.583 6.723 1.405 1.00 61.43 O ATOM 1277 CB ASP A 83 7.583 9.258 0.931 1.00 65.44 C ATOM 1278 CG ASP A 83 6.836 10.552 1.187 1.00 64.33 C ATOM 1279 OD1 ASP A 83 7.500 11.582 1.426 1.00 60.11 O ATOM 1280 OD2 ASP A 83 5.588 10.534 1.149 1.00 41.02 O ATOM 0 H ASP A 83 10.130 10.614 1.490 1.00 3.42 H new ATOM 0 HA ASP A 83 8.567 9.601 2.810 1.00 51.23 H new ATOM 0 HB2 ASP A 83 7.941 9.246 -0.099 1.00 65.44 H new ATOM 0 HB3 ASP A 83 6.897 8.418 1.040 1.00 65.44 H new ATOM 1285 N ILE A 84 9.515 7.306 3.368 1.00 1.33 N ATOM 1286 CA ILE A 84 9.744 5.931 3.793 1.00 20.10 C ATOM 1287 C ILE A 84 9.219 5.697 5.205 1.00 11.04 C ATOM 1288 O ILE A 84 8.520 6.541 5.767 1.00 44.33 O ATOM 1289 CB ILE A 84 11.240 5.569 3.747 1.00 4.24 C ATOM 1290 CG1 ILE A 84 12.006 6.339 4.825 1.00 25.55 C ATOM 1291 CG2 ILE A 84 11.815 5.864 2.370 1.00 74.33 C ATOM 1292 CD1 ILE A 84 13.197 5.584 5.376 1.00 54.14 C ATOM 0 H ILE A 84 9.824 8.011 4.037 1.00 1.33 H new ATOM 0 HA ILE A 84 9.202 5.291 3.096 1.00 20.10 H new ATOM 0 HB ILE A 84 11.346 4.502 3.943 1.00 4.24 H new ATOM 0 HG12 ILE A 84 12.348 7.287 4.410 1.00 25.55 H new ATOM 0 HG13 ILE A 84 11.326 6.576 5.643 1.00 25.55 H new ATOM 0 HG21 ILE A 84 12.873 5.603 2.354 1.00 74.33 H new ATOM 0 HG22 ILE A 84 11.285 5.276 1.621 1.00 74.33 H new ATOM 0 HG23 ILE A 84 11.700 6.925 2.147 1.00 74.33 H new ATOM 0 HD11 ILE A 84 13.692 6.190 6.135 1.00 54.14 H new ATOM 0 HD12 ILE A 84 12.860 4.648 5.822 1.00 54.14 H new ATOM 0 HD13 ILE A 84 13.897 5.370 4.569 1.00 54.14 H new ATOM 1304 N ASP A 85 9.561 4.547 5.775 1.00 62.21 N ATOM 1305 CA ASP A 85 9.127 4.202 7.124 1.00 51.32 C ATOM 1306 C ASP A 85 10.303 3.717 7.966 1.00 74.21 C ATOM 1307 O ASP A 85 11.351 3.353 7.433 1.00 13.45 O ATOM 1308 CB ASP A 85 8.041 3.127 7.074 1.00 73.32 C ATOM 1309 CG ASP A 85 6.897 3.501 6.152 1.00 41.13 C ATOM 1310 OD1 ASP A 85 7.079 3.422 4.919 1.00 44.51 O ATOM 1311 OD2 ASP A 85 5.820 3.874 6.663 1.00 60.33 O ATOM 0 H ASP A 85 10.138 3.837 5.324 1.00 62.21 H new ATOM 0 HA ASP A 85 8.717 5.099 7.588 1.00 51.32 H new ATOM 0 HB2 ASP A 85 8.480 2.187 6.740 1.00 73.32 H new ATOM 0 HB3 ASP A 85 7.654 2.959 8.079 1.00 73.32 H new ATOM 1316 N GLU A 86 10.120 3.715 9.283 1.00 42.03 N ATOM 1317 CA GLU A 86 11.167 3.276 10.198 1.00 62.03 C ATOM 1318 C GLU A 86 11.451 1.787 10.025 1.00 63.40 C ATOM 1319 O GLU A 86 12.548 1.315 10.321 1.00 21.13 O ATOM 1320 CB GLU A 86 10.765 3.565 11.645 1.00 14.12 C ATOM 1321 CG GLU A 86 9.472 2.886 12.065 1.00 74.04 C ATOM 1322 CD GLU A 86 8.850 3.523 13.292 1.00 33.32 C ATOM 1323 OE1 GLU A 86 9.359 4.571 13.740 1.00 23.13 O ATOM 1324 OE2 GLU A 86 7.853 2.972 13.805 1.00 55.24 O ATOM 0 H GLU A 86 9.258 4.012 9.739 1.00 42.03 H new ATOM 0 HA GLU A 86 12.075 3.831 9.963 1.00 62.03 H new ATOM 0 HB2 GLU A 86 11.567 3.241 12.308 1.00 14.12 H new ATOM 0 HB3 GLU A 86 10.659 4.642 11.776 1.00 14.12 H new ATOM 0 HG2 GLU A 86 8.761 2.925 11.240 1.00 74.04 H new ATOM 0 HG3 GLU A 86 9.668 1.833 12.267 1.00 74.04 H new ATOM 1331 N ASN A 87 10.454 1.052 9.544 1.00 72.12 N ATOM 1332 CA ASN A 87 10.595 -0.384 9.333 1.00 61.25 C ATOM 1333 C ASN A 87 11.731 -0.681 8.358 1.00 21.54 C ATOM 1334 O ASN A 87 12.605 -1.500 8.640 1.00 24.41 O ATOM 1335 CB ASN A 87 9.287 -0.974 8.803 1.00 75.12 C ATOM 1336 CG ASN A 87 8.288 -1.252 9.910 1.00 72.14 C ATOM 1337 OD1 ASN A 87 8.570 -2.007 10.840 1.00 30.12 O ATOM 1338 ND2 ASN A 87 7.113 -0.642 9.813 1.00 55.51 N ATOM 0 H ASN A 87 9.539 1.427 9.293 1.00 72.12 H new ATOM 0 HA ASN A 87 10.832 -0.845 10.292 1.00 61.25 H new ATOM 0 HB2 ASN A 87 8.846 -0.284 8.084 1.00 75.12 H new ATOM 0 HB3 ASN A 87 9.499 -1.900 8.268 1.00 75.12 H new ATOM 0 HD21 ASN A 87 6.400 -0.791 10.527 1.00 55.51 H new ATOM 0 HD22 ASN A 87 6.923 -0.024 9.024 1.00 55.51 H new ATOM 1345 N MET A 88 11.711 -0.010 7.212 1.00 41.41 N ATOM 1346 CA MET A 88 12.740 -0.200 6.197 1.00 65.53 C ATOM 1347 C MET A 88 13.997 0.593 6.541 1.00 61.22 C ATOM 1348 O MET A 88 15.115 0.155 6.266 1.00 13.24 O ATOM 1349 CB MET A 88 12.217 0.222 4.823 1.00 54.22 C ATOM 1350 CG MET A 88 11.728 1.661 4.775 1.00 65.01 C ATOM 1351 SD MET A 88 10.408 1.907 3.572 1.00 64.15 S ATOM 1352 CE MET A 88 10.966 0.851 2.237 1.00 62.14 C ATOM 0 H MET A 88 10.993 0.671 6.963 1.00 41.41 H new ATOM 0 HA MET A 88 12.996 -1.259 6.170 1.00 65.53 H new ATOM 0 HB2 MET A 88 13.009 0.091 4.086 1.00 54.22 H new ATOM 0 HB3 MET A 88 11.401 -0.440 4.535 1.00 54.22 H new ATOM 0 HG2 MET A 88 11.372 1.953 5.763 1.00 65.01 H new ATOM 0 HG3 MET A 88 12.564 2.317 4.530 1.00 65.01 H new ATOM 0 HE1 MET A 88 10.592 1.236 1.288 1.00 62.14 H new ATOM 0 HE2 MET A 88 12.056 0.834 2.217 1.00 62.14 H new ATOM 0 HE3 MET A 88 10.590 -0.160 2.392 1.00 62.14 H new ATOM 1362 N LYS A 89 13.807 1.762 7.143 1.00 71.02 N ATOM 1363 CA LYS A 89 14.924 2.617 7.526 1.00 65.34 C ATOM 1364 C LYS A 89 15.927 1.850 8.382 1.00 43.11 C ATOM 1365 O LYS A 89 17.139 2.013 8.234 1.00 73.15 O ATOM 1366 CB LYS A 89 14.418 3.842 8.289 1.00 13.40 C ATOM 1367 CG LYS A 89 15.467 4.926 8.466 1.00 65.31 C ATOM 1368 CD LYS A 89 14.858 6.212 8.998 1.00 75.32 C ATOM 1369 CE LYS A 89 14.455 6.075 10.458 1.00 14.31 C ATOM 1370 NZ LYS A 89 14.154 7.396 11.076 1.00 4.35 N ATOM 0 H LYS A 89 12.889 2.139 7.376 1.00 71.02 H new ATOM 0 HA LYS A 89 15.426 2.946 6.616 1.00 65.34 H new ATOM 0 HB2 LYS A 89 13.561 4.260 7.760 1.00 13.40 H new ATOM 0 HB3 LYS A 89 14.064 3.527 9.271 1.00 13.40 H new ATOM 0 HG2 LYS A 89 16.239 4.577 9.152 1.00 65.31 H new ATOM 0 HG3 LYS A 89 15.954 5.121 7.511 1.00 65.31 H new ATOM 0 HD2 LYS A 89 15.575 7.026 8.892 1.00 75.32 H new ATOM 0 HD3 LYS A 89 13.985 6.476 8.402 1.00 75.32 H new ATOM 0 HE2 LYS A 89 13.579 5.430 10.534 1.00 14.31 H new ATOM 0 HE3 LYS A 89 15.258 5.589 11.012 1.00 14.31 H new ATOM 0 HZ1 LYS A 89 13.883 7.260 12.071 1.00 4.35 H new ATOM 0 HZ2 LYS A 89 14.997 8.003 11.026 1.00 4.35 H new ATOM 0 HZ3 LYS A 89 13.371 7.849 10.563 1.00 4.35 H new ATOM 1384 N LYS A 90 15.415 1.013 9.277 1.00 24.35 N ATOM 1385 CA LYS A 90 16.265 0.218 10.156 1.00 4.12 C ATOM 1386 C LYS A 90 17.211 -0.664 9.347 1.00 42.41 C ATOM 1387 O LYS A 90 18.371 -0.849 9.716 1.00 60.14 O ATOM 1388 CB LYS A 90 15.408 -0.649 11.081 1.00 65.40 C ATOM 1389 CG LYS A 90 14.846 -1.888 10.405 1.00 44.11 C ATOM 1390 CD LYS A 90 15.784 -3.075 10.547 1.00 44.14 C ATOM 1391 CE LYS A 90 15.018 -4.364 10.802 1.00 50.40 C ATOM 1392 NZ LYS A 90 15.932 -5.515 11.039 1.00 42.02 N ATOM 0 H LYS A 90 14.415 0.867 9.413 1.00 24.35 H new ATOM 0 HA LYS A 90 16.862 0.902 10.759 1.00 4.12 H new ATOM 0 HB2 LYS A 90 16.008 -0.954 11.939 1.00 65.40 H new ATOM 0 HB3 LYS A 90 14.583 -0.050 11.466 1.00 65.40 H new ATOM 0 HG2 LYS A 90 13.878 -2.134 10.841 1.00 44.11 H new ATOM 0 HG3 LYS A 90 14.676 -1.682 9.348 1.00 44.11 H new ATOM 0 HD2 LYS A 90 16.381 -3.179 9.641 1.00 44.14 H new ATOM 0 HD3 LYS A 90 16.479 -2.895 11.368 1.00 44.14 H new ATOM 0 HE2 LYS A 90 14.366 -4.234 11.666 1.00 50.40 H new ATOM 0 HE3 LYS A 90 14.376 -4.580 9.948 1.00 50.40 H new ATOM 0 HZ1 LYS A 90 15.371 -6.374 11.209 1.00 42.02 H new ATOM 0 HZ2 LYS A 90 16.537 -5.655 10.205 1.00 42.02 H new ATOM 0 HZ3 LYS A 90 16.527 -5.320 11.869 1.00 42.02 H new ATOM 1406 N VAL A 91 16.709 -1.204 8.241 1.00 14.12 N ATOM 1407 CA VAL A 91 17.510 -2.064 7.378 1.00 13.23 C ATOM 1408 C VAL A 91 18.546 -1.255 6.606 1.00 71.21 C ATOM 1409 O VAL A 91 19.666 -1.716 6.381 1.00 13.34 O ATOM 1410 CB VAL A 91 16.627 -2.835 6.379 1.00 50.32 C ATOM 1411 CG1 VAL A 91 15.211 -2.976 6.915 1.00 33.15 C ATOM 1412 CG2 VAL A 91 16.626 -2.142 5.025 1.00 41.43 C ATOM 0 H VAL A 91 15.751 -1.061 7.921 1.00 14.12 H new ATOM 0 HA VAL A 91 18.020 -2.777 8.026 1.00 13.23 H new ATOM 0 HB VAL A 91 17.042 -3.835 6.251 1.00 50.32 H new ATOM 0 HG11 VAL A 91 14.602 -3.523 6.195 1.00 33.15 H new ATOM 0 HG12 VAL A 91 15.232 -3.519 7.860 1.00 33.15 H new ATOM 0 HG13 VAL A 91 14.782 -1.987 7.075 1.00 33.15 H new ATOM 0 HG21 VAL A 91 15.997 -2.700 4.331 1.00 41.43 H new ATOM 0 HG22 VAL A 91 16.236 -1.130 5.135 1.00 41.43 H new ATOM 0 HG23 VAL A 91 17.644 -2.099 4.638 1.00 41.43 H new ATOM 1422 N ILE A 92 18.165 -0.048 6.202 1.00 2.12 N ATOM 1423 CA ILE A 92 19.062 0.826 5.456 1.00 23.32 C ATOM 1424 C ILE A 92 20.225 1.291 6.326 1.00 43.23 C ATOM 1425 O ILE A 92 21.381 1.264 5.903 1.00 43.02 O ATOM 1426 CB ILE A 92 18.320 2.059 4.908 1.00 62.21 C ATOM 1427 CG1 ILE A 92 16.954 1.653 4.350 1.00 5.02 C ATOM 1428 CG2 ILE A 92 19.154 2.745 3.836 1.00 55.11 C ATOM 1429 CD1 ILE A 92 16.435 2.590 3.282 1.00 1.24 C ATOM 0 H ILE A 92 17.241 0.347 6.379 1.00 2.12 H new ATOM 0 HA ILE A 92 19.447 0.243 4.619 1.00 23.32 H new ATOM 0 HB ILE A 92 18.163 2.763 5.725 1.00 62.21 H new ATOM 0 HG12 ILE A 92 17.024 0.647 3.937 1.00 5.02 H new ATOM 0 HG13 ILE A 92 16.234 1.612 5.167 1.00 5.02 H new ATOM 0 HG21 ILE A 92 18.617 3.615 3.458 1.00 55.11 H new ATOM 0 HG22 ILE A 92 20.105 3.063 4.263 1.00 55.11 H new ATOM 0 HG23 ILE A 92 19.339 2.049 3.018 1.00 55.11 H new ATOM 0 HD11 ILE A 92 15.463 2.241 2.932 1.00 1.24 H new ATOM 0 HD12 ILE A 92 16.333 3.593 3.696 1.00 1.24 H new ATOM 0 HD13 ILE A 92 17.135 2.612 2.446 1.00 1.24 H new ATOM 1441 N LYS A 93 19.912 1.717 7.545 1.00 70.13 N ATOM 1442 CA LYS A 93 20.930 2.186 8.477 1.00 21.12 C ATOM 1443 C LYS A 93 21.857 1.047 8.889 1.00 62.34 C ATOM 1444 O LYS A 93 23.077 1.206 8.917 1.00 1.31 O ATOM 1445 CB LYS A 93 20.273 2.796 9.717 1.00 1.13 C ATOM 1446 CG LYS A 93 21.083 3.917 10.346 1.00 63.32 C ATOM 1447 CD LYS A 93 20.274 4.676 11.384 1.00 73.24 C ATOM 1448 CE LYS A 93 19.540 5.856 10.765 1.00 64.25 C ATOM 1449 NZ LYS A 93 20.483 6.851 10.183 1.00 51.22 N ATOM 0 H LYS A 93 18.960 1.747 7.911 1.00 70.13 H new ATOM 0 HA LYS A 93 21.523 2.950 7.974 1.00 21.12 H new ATOM 0 HB2 LYS A 93 19.289 3.178 9.445 1.00 1.13 H new ATOM 0 HB3 LYS A 93 20.117 2.012 10.458 1.00 1.13 H new ATOM 0 HG2 LYS A 93 21.977 3.503 10.812 1.00 63.32 H new ATOM 0 HG3 LYS A 93 21.417 4.605 9.570 1.00 63.32 H new ATOM 0 HD2 LYS A 93 19.555 4.003 11.850 1.00 73.24 H new ATOM 0 HD3 LYS A 93 20.936 5.031 12.174 1.00 73.24 H new ATOM 0 HE2 LYS A 93 18.865 5.497 9.988 1.00 64.25 H new ATOM 0 HE3 LYS A 93 18.924 6.339 11.523 1.00 64.25 H new ATOM 0 HZ1 LYS A 93 20.030 7.787 10.160 1.00 51.22 H new ATOM 0 HZ2 LYS A 93 21.343 6.897 10.766 1.00 51.22 H new ATOM 0 HZ3 LYS A 93 20.736 6.565 9.216 1.00 51.22 H new ATOM 1463 N ALA A 94 21.270 -0.103 9.205 1.00 3.12 N ATOM 1464 CA ALA A 94 22.044 -1.269 9.611 1.00 23.33 C ATOM 1465 C ALA A 94 22.966 -1.735 8.489 1.00 52.40 C ATOM 1466 O ALA A 94 24.105 -2.135 8.732 1.00 72.11 O ATOM 1467 CB ALA A 94 21.116 -2.397 10.036 1.00 35.20 C ATOM 0 H ALA A 94 20.261 -0.252 9.187 1.00 3.12 H new ATOM 0 HA ALA A 94 22.664 -0.984 10.461 1.00 23.33 H new ATOM 0 HB1 ALA A 94 21.708 -3.261 10.337 1.00 35.20 H new ATOM 0 HB2 ALA A 94 20.503 -2.067 10.875 1.00 35.20 H new ATOM 0 HB3 ALA A 94 20.471 -2.672 9.201 1.00 35.20 H new ATOM 1473 N THR A 95 22.466 -1.680 7.258 1.00 22.21 N ATOM 1474 CA THR A 95 23.244 -2.098 6.098 1.00 12.25 C ATOM 1475 C THR A 95 24.364 -1.107 5.802 1.00 22.52 C ATOM 1476 O THR A 95 25.502 -1.501 5.547 1.00 31.11 O ATOM 1477 CB THR A 95 22.356 -2.240 4.848 1.00 14.10 C ATOM 1478 OG1 THR A 95 21.325 -3.206 5.086 1.00 45.40 O ATOM 1479 CG2 THR A 95 23.182 -2.659 3.642 1.00 63.51 C ATOM 0 H THR A 95 21.526 -1.350 7.039 1.00 22.21 H new ATOM 0 HA THR A 95 23.676 -3.069 6.340 1.00 12.25 H new ATOM 0 HB THR A 95 21.904 -1.271 4.639 1.00 14.10 H new ATOM 0 HG1 THR A 95 20.510 -2.749 5.382 1.00 45.40 H new ATOM 0 HG21 THR A 95 22.533 -2.753 2.771 1.00 63.51 H new ATOM 0 HG22 THR A 95 23.946 -1.907 3.446 1.00 63.51 H new ATOM 0 HG23 THR A 95 23.660 -3.618 3.843 1.00 63.51 H new ATOM 1487 N ALA A 96 24.035 0.180 5.838 1.00 31.43 N ATOM 1488 CA ALA A 96 25.015 1.226 5.576 1.00 13.42 C ATOM 1489 C ALA A 96 26.096 1.248 6.652 1.00 52.25 C ATOM 1490 O ALA A 96 27.287 1.288 6.345 1.00 31.15 O ATOM 1491 CB ALA A 96 24.328 2.581 5.488 1.00 44.54 C ATOM 0 H ALA A 96 23.097 0.523 6.046 1.00 31.43 H new ATOM 0 HA ALA A 96 25.494 1.010 4.621 1.00 13.42 H new ATOM 0 HB1 ALA A 96 25.071 3.354 5.292 1.00 44.54 H new ATOM 0 HB2 ALA A 96 23.597 2.567 4.679 1.00 44.54 H new ATOM 0 HB3 ALA A 96 23.822 2.794 6.430 1.00 44.54 H new ATOM 1497 N GLU A 97 25.672 1.223 7.911 1.00 33.42 N ATOM 1498 CA GLU A 97 26.605 1.241 9.031 1.00 2.13 C ATOM 1499 C GLU A 97 27.460 -0.023 9.048 1.00 41.12 C ATOM 1500 O GLU A 97 28.631 0.011 9.426 1.00 65.34 O ATOM 1501 CB GLU A 97 25.847 1.375 10.354 1.00 61.43 C ATOM 1502 CG GLU A 97 25.060 0.131 10.732 1.00 3.14 C ATOM 1503 CD GLU A 97 25.772 -0.717 11.769 1.00 42.34 C ATOM 1504 OE1 GLU A 97 26.914 -0.371 12.136 1.00 43.21 O ATOM 1505 OE2 GLU A 97 25.186 -1.726 12.212 1.00 21.43 O ATOM 0 H GLU A 97 24.689 1.190 8.181 1.00 33.42 H new ATOM 0 HA GLU A 97 27.262 2.102 8.908 1.00 2.13 H new ATOM 0 HB2 GLU A 97 26.558 1.601 11.149 1.00 61.43 H new ATOM 0 HB3 GLU A 97 25.163 2.221 10.287 1.00 61.43 H new ATOM 0 HG2 GLU A 97 24.084 0.426 11.117 1.00 3.14 H new ATOM 0 HG3 GLU A 97 24.882 -0.467 9.838 1.00 3.14 H new ATOM 1512 N LYS A 98 26.866 -1.138 8.636 1.00 14.51 N ATOM 1513 CA LYS A 98 27.570 -2.413 8.602 1.00 25.50 C ATOM 1514 C LYS A 98 28.794 -2.335 7.695 1.00 63.00 C ATOM 1515 O LYS A 98 29.841 -2.907 7.998 1.00 64.54 O ATOM 1516 CB LYS A 98 26.635 -3.524 8.119 1.00 54.32 C ATOM 1517 CG LYS A 98 25.997 -4.316 9.247 1.00 2.11 C ATOM 1518 CD LYS A 98 26.964 -5.332 9.831 1.00 64.23 C ATOM 1519 CE LYS A 98 27.152 -6.521 8.900 1.00 4.24 C ATOM 1520 NZ LYS A 98 27.474 -7.767 9.650 1.00 1.43 N ATOM 0 H LYS A 98 25.897 -1.184 8.321 1.00 14.51 H new ATOM 0 HA LYS A 98 27.903 -2.642 9.614 1.00 25.50 H new ATOM 0 HB2 LYS A 98 25.849 -3.084 7.505 1.00 54.32 H new ATOM 0 HB3 LYS A 98 27.195 -4.206 7.479 1.00 54.32 H new ATOM 0 HG2 LYS A 98 25.667 -3.634 10.031 1.00 2.11 H new ATOM 0 HG3 LYS A 98 25.109 -4.828 8.876 1.00 2.11 H new ATOM 0 HD2 LYS A 98 27.927 -4.856 10.014 1.00 64.23 H new ATOM 0 HD3 LYS A 98 26.591 -5.678 10.795 1.00 64.23 H new ATOM 0 HE2 LYS A 98 26.244 -6.673 8.317 1.00 4.24 H new ATOM 0 HE3 LYS A 98 27.953 -6.305 8.193 1.00 4.24 H new ATOM 0 HZ1 LYS A 98 27.595 -8.554 8.981 1.00 1.43 H new ATOM 0 HZ2 LYS A 98 28.354 -7.631 10.187 1.00 1.43 H new ATOM 0 HZ3 LYS A 98 26.698 -7.987 10.307 1.00 1.43 H new ATOM 1534 N PHE A 99 28.656 -1.622 6.582 1.00 13.33 N ATOM 1535 CA PHE A 99 29.751 -1.468 5.631 1.00 15.04 C ATOM 1536 C PHE A 99 30.929 -0.741 6.272 1.00 24.21 C ATOM 1537 O PHE A 99 32.087 -1.003 5.946 1.00 62.24 O ATOM 1538 CB PHE A 99 29.276 -0.702 4.394 1.00 21.45 C ATOM 1539 CG PHE A 99 28.833 -1.595 3.271 1.00 54.23 C ATOM 1540 CD1 PHE A 99 29.763 -2.239 2.472 1.00 63.33 C ATOM 1541 CD2 PHE A 99 27.485 -1.790 3.014 1.00 42.33 C ATOM 1542 CE1 PHE A 99 29.358 -3.060 1.437 1.00 72.35 C ATOM 1543 CE2 PHE A 99 27.074 -2.610 1.980 1.00 34.01 C ATOM 1544 CZ PHE A 99 28.011 -3.247 1.191 1.00 4.12 C ATOM 0 H PHE A 99 27.796 -1.142 6.316 1.00 13.33 H new ATOM 0 HA PHE A 99 30.081 -2.462 5.330 1.00 15.04 H new ATOM 0 HB2 PHE A 99 28.450 -0.049 4.676 1.00 21.45 H new ATOM 0 HB3 PHE A 99 30.084 -0.061 4.041 1.00 21.45 H new ATOM 0 HD1 PHE A 99 30.817 -2.098 2.660 1.00 63.33 H new ATOM 0 HD2 PHE A 99 26.747 -1.296 3.629 1.00 42.33 H new ATOM 0 HE1 PHE A 99 30.094 -3.555 0.821 1.00 72.35 H new ATOM 0 HE2 PHE A 99 26.021 -2.752 1.789 1.00 34.01 H new ATOM 0 HZ PHE A 99 27.692 -3.890 0.384 1.00 4.12 H new ATOM 1554 N LYS A 100 30.626 0.174 7.186 1.00 2.12 N ATOM 1555 CA LYS A 100 31.659 0.940 7.875 1.00 74.23 C ATOM 1556 C LYS A 100 32.586 0.019 8.660 1.00 24.53 C ATOM 1557 O LYS A 100 33.759 0.330 8.864 1.00 51.21 O ATOM 1558 CB LYS A 100 31.021 1.963 8.817 1.00 35.23 C ATOM 1559 CG LYS A 100 32.017 2.936 9.423 1.00 51.21 C ATOM 1560 CD LYS A 100 31.363 4.265 9.763 1.00 75.24 C ATOM 1561 CE LYS A 100 31.812 5.366 8.815 1.00 40.03 C ATOM 1562 NZ LYS A 100 31.812 6.701 9.475 1.00 32.32 N ATOM 0 H LYS A 100 29.673 0.404 7.467 1.00 2.12 H new ATOM 0 HA LYS A 100 32.249 1.465 7.124 1.00 74.23 H new ATOM 0 HB2 LYS A 100 30.264 2.525 8.270 1.00 35.23 H new ATOM 0 HB3 LYS A 100 30.508 1.434 9.620 1.00 35.23 H new ATOM 0 HG2 LYS A 100 32.449 2.501 10.324 1.00 51.21 H new ATOM 0 HG3 LYS A 100 32.837 3.101 8.724 1.00 51.21 H new ATOM 0 HD2 LYS A 100 30.279 4.161 9.714 1.00 75.24 H new ATOM 0 HD3 LYS A 100 31.611 4.542 10.788 1.00 75.24 H new ATOM 0 HE2 LYS A 100 32.814 5.143 8.448 1.00 40.03 H new ATOM 0 HE3 LYS A 100 31.152 5.390 7.948 1.00 40.03 H new ATOM 0 HZ1 LYS A 100 30.977 7.240 9.169 1.00 32.32 H new ATOM 0 HZ2 LYS A 100 31.786 6.578 10.507 1.00 32.32 H new ATOM 0 HZ3 LYS A 100 32.674 7.219 9.210 1.00 32.32 H new ATOM 1576 N ASN A 101 32.053 -1.118 9.098 1.00 43.33 N ATOM 1577 CA ASN A 101 32.835 -2.085 9.860 1.00 14.22 C ATOM 1578 C ASN A 101 33.990 -2.629 9.026 1.00 61.31 C ATOM 1579 O ASN A 101 34.934 -3.214 9.558 1.00 34.24 O ATOM 1580 CB ASN A 101 31.943 -3.236 10.329 1.00 14.02 C ATOM 1581 CG ASN A 101 30.885 -2.783 11.317 1.00 0.50 C ATOM 1582 OD1 ASN A 101 30.419 -1.644 11.266 1.00 62.13 O ATOM 1583 ND2 ASN A 101 30.501 -3.674 12.223 1.00 2.04 N ATOM 0 H ASN A 101 31.083 -1.392 8.938 1.00 43.33 H new ATOM 0 HA ASN A 101 33.248 -1.576 10.731 1.00 14.22 H new ATOM 0 HB2 ASN A 101 31.458 -3.691 9.465 1.00 14.02 H new ATOM 0 HB3 ASN A 101 32.561 -4.006 10.791 1.00 14.02 H new ATOM 0 HD21 ASN A 101 29.793 -3.426 12.914 1.00 2.04 H new ATOM 0 HD22 ASN A 101 30.914 -4.607 12.228 1.00 2.04 H new ATOM 1590 N LYS A 102 33.910 -2.433 7.714 1.00 13.43 N ATOM 1591 CA LYS A 102 34.948 -2.901 6.805 1.00 65.42 C ATOM 1592 C LYS A 102 35.894 -1.766 6.427 1.00 2.34 C ATOM 1593 O LYS A 102 36.888 -1.977 5.733 1.00 34.02 O ATOM 1594 CB LYS A 102 34.320 -3.496 5.543 1.00 74.32 C ATOM 1595 CG LYS A 102 33.620 -4.824 5.779 1.00 4.24 C ATOM 1596 CD LYS A 102 34.616 -5.966 5.893 1.00 1.15 C ATOM 1597 CE LYS A 102 34.978 -6.528 4.527 1.00 22.24 C ATOM 1598 NZ LYS A 102 36.044 -7.564 4.619 1.00 61.12 N ATOM 0 H LYS A 102 33.135 -1.952 7.257 1.00 13.43 H new ATOM 0 HA LYS A 102 35.522 -3.673 7.317 1.00 65.42 H new ATOM 0 HB2 LYS A 102 33.603 -2.784 5.134 1.00 74.32 H new ATOM 0 HB3 LYS A 102 35.097 -3.633 4.791 1.00 74.32 H new ATOM 0 HG2 LYS A 102 33.025 -4.766 6.691 1.00 4.24 H new ATOM 0 HG3 LYS A 102 32.929 -5.023 4.960 1.00 4.24 H new ATOM 0 HD2 LYS A 102 35.518 -5.615 6.394 1.00 1.15 H new ATOM 0 HD3 LYS A 102 34.195 -6.757 6.513 1.00 1.15 H new ATOM 0 HE2 LYS A 102 34.090 -6.960 4.065 1.00 22.24 H new ATOM 0 HE3 LYS A 102 35.313 -5.719 3.878 1.00 22.24 H new ATOM 0 HZ1 LYS A 102 36.263 -7.923 3.668 1.00 61.12 H new ATOM 0 HZ2 LYS A 102 36.900 -7.146 5.036 1.00 61.12 H new ATOM 0 HZ3 LYS A 102 35.715 -8.348 5.217 1.00 61.12 H new ATOM 1612 N GLY A 103 35.579 -0.560 6.891 1.00 51.01 N ATOM 1613 CA GLY A 103 36.411 0.591 6.592 1.00 24.44 C ATOM 1614 C GLY A 103 35.850 1.436 5.467 1.00 51.33 C ATOM 1615 O GLY A 103 36.499 1.624 4.438 1.00 64.33 O ATOM 0 H GLY A 103 34.762 -0.360 7.469 1.00 51.01 H new ATOM 0 HA2 GLY A 103 36.512 1.205 7.487 1.00 24.44 H new ATOM 0 HA3 GLY A 103 37.411 0.252 6.323 1.00 24.44 H new ATOM 1619 N PHE A 104 34.639 1.947 5.660 1.00 14.44 N ATOM 1620 CA PHE A 104 33.988 2.776 4.652 1.00 61.33 C ATOM 1621 C PHE A 104 33.163 3.881 5.305 1.00 71.51 C ATOM 1622 O PHE A 104 32.777 3.777 6.469 1.00 14.44 O ATOM 1623 CB PHE A 104 33.093 1.917 3.756 1.00 61.02 C ATOM 1624 CG PHE A 104 33.845 0.869 2.985 1.00 13.43 C ATOM 1625 CD1 PHE A 104 34.174 -0.340 3.575 1.00 32.43 C ATOM 1626 CD2 PHE A 104 34.222 1.094 1.671 1.00 14.11 C ATOM 1627 CE1 PHE A 104 34.866 -1.306 2.869 1.00 41.33 C ATOM 1628 CE2 PHE A 104 34.914 0.132 0.959 1.00 13.34 C ATOM 1629 CZ PHE A 104 35.235 -1.070 1.559 1.00 44.42 C ATOM 0 H PHE A 104 34.088 1.802 6.506 1.00 14.44 H new ATOM 0 HA PHE A 104 34.764 3.239 4.042 1.00 61.33 H new ATOM 0 HB2 PHE A 104 32.336 1.431 4.371 1.00 61.02 H new ATOM 0 HB3 PHE A 104 32.566 2.564 3.055 1.00 61.02 H new ATOM 0 HD1 PHE A 104 33.887 -0.530 4.599 1.00 32.43 H new ATOM 0 HD2 PHE A 104 33.972 2.032 1.197 1.00 14.11 H new ATOM 0 HE1 PHE A 104 35.118 -2.244 3.341 1.00 41.33 H new ATOM 0 HE2 PHE A 104 35.203 0.320 -0.064 1.00 13.34 H new ATOM 0 HZ PHE A 104 35.774 -1.824 1.005 1.00 44.42 H new ATOM 1639 N LYS A 105 32.896 4.939 4.547 1.00 64.44 N ATOM 1640 CA LYS A 105 32.117 6.064 5.049 1.00 72.31 C ATOM 1641 C LYS A 105 30.631 5.866 4.766 1.00 61.14 C ATOM 1642 O LYS A 105 30.249 5.417 3.685 1.00 64.23 O ATOM 1643 CB LYS A 105 32.599 7.369 4.412 1.00 12.35 C ATOM 1644 CG LYS A 105 31.875 8.601 4.928 1.00 32.11 C ATOM 1645 CD LYS A 105 32.106 8.802 6.416 1.00 24.33 C ATOM 1646 CE LYS A 105 31.364 10.023 6.936 1.00 3.51 C ATOM 1647 NZ LYS A 105 32.068 11.289 6.588 1.00 55.10 N ATOM 0 H LYS A 105 33.208 5.041 3.581 1.00 64.44 H new ATOM 0 HA LYS A 105 32.259 6.120 6.128 1.00 72.31 H new ATOM 0 HB2 LYS A 105 33.667 7.481 4.597 1.00 12.35 H new ATOM 0 HB3 LYS A 105 32.468 7.306 3.332 1.00 12.35 H new ATOM 0 HG2 LYS A 105 32.219 9.481 4.384 1.00 32.11 H new ATOM 0 HG3 LYS A 105 30.807 8.504 4.735 1.00 32.11 H new ATOM 0 HD2 LYS A 105 31.776 7.916 6.959 1.00 24.33 H new ATOM 0 HD3 LYS A 105 33.173 8.915 6.607 1.00 24.33 H new ATOM 0 HE2 LYS A 105 30.357 10.041 6.519 1.00 3.51 H new ATOM 0 HE3 LYS A 105 31.260 9.951 8.019 1.00 3.51 H new ATOM 0 HZ1 LYS A 105 31.531 12.098 6.960 1.00 55.10 H new ATOM 0 HZ2 LYS A 105 33.020 11.283 7.007 1.00 55.10 H new ATOM 0 HZ3 LYS A 105 32.145 11.370 5.554 1.00 55.10 H new ATOM 1661 N VAL A 106 29.796 6.205 5.743 1.00 45.31 N ATOM 1662 CA VAL A 106 28.352 6.067 5.597 1.00 3.43 C ATOM 1663 C VAL A 106 27.662 7.426 5.653 1.00 22.41 C ATOM 1664 O VAL A 106 27.862 8.195 6.592 1.00 15.50 O ATOM 1665 CB VAL A 106 27.762 5.159 6.692 1.00 61.41 C ATOM 1666 CG1 VAL A 106 26.282 4.914 6.443 1.00 54.54 C ATOM 1667 CG2 VAL A 106 28.524 3.844 6.760 1.00 72.41 C ATOM 0 H VAL A 106 30.095 6.577 6.644 1.00 45.31 H new ATOM 0 HA VAL A 106 28.174 5.612 4.623 1.00 3.43 H new ATOM 0 HB VAL A 106 27.865 5.663 7.653 1.00 61.41 H new ATOM 0 HG11 VAL A 106 25.883 4.270 7.227 1.00 54.54 H new ATOM 0 HG12 VAL A 106 25.750 5.865 6.448 1.00 54.54 H new ATOM 0 HG13 VAL A 106 26.151 4.430 5.475 1.00 54.54 H new ATOM 0 HG21 VAL A 106 28.094 3.214 7.539 1.00 72.41 H new ATOM 0 HG22 VAL A 106 28.454 3.333 5.800 1.00 72.41 H new ATOM 0 HG23 VAL A 106 29.571 4.042 6.990 1.00 72.41 H new ATOM 1677 N GLU A 107 26.849 7.712 4.641 1.00 45.42 N ATOM 1678 CA GLU A 107 26.130 8.979 4.575 1.00 33.12 C ATOM 1679 C GLU A 107 24.645 8.748 4.311 1.00 73.40 C ATOM 1680 O GLU A 107 24.271 7.905 3.494 1.00 52.41 O ATOM 1681 CB GLU A 107 26.721 9.871 3.481 1.00 32.33 C ATOM 1682 CG GLU A 107 25.985 11.189 3.307 1.00 23.12 C ATOM 1683 CD GLU A 107 26.843 12.253 2.650 1.00 73.12 C ATOM 1684 OE1 GLU A 107 27.727 12.808 3.335 1.00 12.41 O ATOM 1685 OE2 GLU A 107 26.630 12.530 1.451 1.00 12.21 O ATOM 0 H GLU A 107 26.672 7.084 3.857 1.00 45.42 H new ATOM 0 HA GLU A 107 26.237 9.479 5.538 1.00 33.12 H new ATOM 0 HB2 GLU A 107 27.765 10.076 3.716 1.00 32.33 H new ATOM 0 HB3 GLU A 107 26.707 9.329 2.535 1.00 32.33 H new ATOM 0 HG2 GLU A 107 25.091 11.025 2.705 1.00 23.12 H new ATOM 0 HG3 GLU A 107 25.652 11.546 4.281 1.00 23.12 H new ATOM 1692 N THR A 108 23.801 9.501 5.009 1.00 11.41 N ATOM 1693 CA THR A 108 22.357 9.379 4.852 1.00 22.54 C ATOM 1694 C THR A 108 21.742 10.690 4.376 1.00 22.43 C ATOM 1695 O THR A 108 22.033 11.756 4.919 1.00 60.22 O ATOM 1696 CB THR A 108 21.683 8.958 6.172 1.00 73.43 C ATOM 1697 OG1 THR A 108 22.388 9.520 7.284 1.00 52.43 O ATOM 1698 CG2 THR A 108 21.647 7.442 6.302 1.00 51.32 C ATOM 0 H THR A 108 24.093 10.203 5.689 1.00 11.41 H new ATOM 0 HA THR A 108 22.185 8.607 4.102 1.00 22.54 H new ATOM 0 HB THR A 108 20.659 9.331 6.166 1.00 73.43 H new ATOM 0 HG1 THR A 108 21.952 9.249 8.119 1.00 52.43 H new ATOM 0 HG21 THR A 108 21.167 7.169 7.242 1.00 51.32 H new ATOM 0 HG22 THR A 108 21.084 7.019 5.470 1.00 51.32 H new ATOM 0 HG23 THR A 108 22.664 7.051 6.288 1.00 51.32 H new ATOM 1706 N ASP A 109 20.891 10.604 3.360 1.00 31.52 N ATOM 1707 CA ASP A 109 20.233 11.784 2.812 1.00 71.10 C ATOM 1708 C ASP A 109 18.727 11.566 2.704 1.00 31.23 C ATOM 1709 O ASP A 109 18.248 10.434 2.769 1.00 53.10 O ATOM 1710 CB ASP A 109 20.811 12.124 1.437 1.00 0.04 C ATOM 1711 CG ASP A 109 20.793 13.613 1.154 1.00 3.33 C ATOM 1712 OD1 ASP A 109 20.307 14.376 2.016 1.00 71.31 O ATOM 1713 OD2 ASP A 109 21.267 14.017 0.072 1.00 74.44 O ATOM 0 H ASP A 109 20.641 9.729 2.899 1.00 31.52 H new ATOM 0 HA ASP A 109 20.414 12.618 3.490 1.00 71.10 H new ATOM 0 HB2 ASP A 109 21.836 11.758 1.376 1.00 0.04 H new ATOM 0 HB3 ASP A 109 20.241 11.604 0.667 1.00 0.04 H new ATOM 1718 N MET A 110 17.986 12.657 2.541 1.00 43.11 N ATOM 1719 CA MET A 110 16.534 12.585 2.424 1.00 25.44 C ATOM 1720 C MET A 110 15.985 13.810 1.701 1.00 2.35 C ATOM 1721 O MET A 110 16.590 14.883 1.729 1.00 13.03 O ATOM 1722 CB MET A 110 15.896 12.466 3.809 1.00 35.14 C ATOM 1723 CG MET A 110 16.390 13.510 4.798 1.00 74.40 C ATOM 1724 SD MET A 110 15.777 13.227 6.470 1.00 11.31 S ATOM 1725 CE MET A 110 14.898 14.759 6.772 1.00 65.22 C ATOM 0 H MET A 110 18.367 13.602 2.487 1.00 43.11 H new ATOM 0 HA MET A 110 16.284 11.699 1.839 1.00 25.44 H new ATOM 0 HB2 MET A 110 14.814 12.554 3.710 1.00 35.14 H new ATOM 0 HB3 MET A 110 16.100 11.473 4.210 1.00 35.14 H new ATOM 0 HG2 MET A 110 17.480 13.507 4.809 1.00 74.40 H new ATOM 0 HG3 MET A 110 16.077 14.499 4.463 1.00 74.40 H new ATOM 0 HE1 MET A 110 14.461 14.737 7.770 1.00 65.22 H new ATOM 0 HE2 MET A 110 15.591 15.597 6.698 1.00 65.22 H new ATOM 0 HE3 MET A 110 14.107 14.876 6.032 1.00 65.22 H new TER 1735 MET A 110