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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 MET CE :methyl -161:sc= -0.468 (180deg=-1.15) USER MOD Set 2.1: A 8 ASN : amide:sc= -4.18! C(o=-4.2!,f=-9!) USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 45 MET CE :methyl -115:sc= -2.18! (180deg=-4.41!) USER MOD Single : A 1 MET CE :methyl 170:sc= -7.45! (180deg=-8.08!) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0176 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot -150:sc= -3.53! USER MOD Single : A 6 MET CE :methyl 179:sc= -0.951 (180deg=-1) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -96:sc= 0.338 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= -0.0256 X(o=-0.026,f=-0.026) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 86:sc= 0.952 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 86:sc= -0.246 USER MOD Single : A 40 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.31) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -157:sc= -3.21 (180deg=-4.82!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.392 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc= -0.0026 (180deg=-0.0847) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -126:sc= -0.93 (180deg=-5.06!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.105 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.014 USER MOD Single : A 87 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.6) USER MOD Single : A 89 LYS NZ :NH3+ -159:sc= -0.0297 (180deg=-0.563) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -158:sc= -0.0604 (180deg=-0.342) USER MOD Single : A 95 THR OG1 : rot 66:sc= 1.26 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.17) USER MOD Single : A 102 LYS NZ :NH3+ -123:sc= 0.703 (180deg=0.274) USER MOD Single : A 105 LYS NZ :NH3+ 161:sc= -0.0174 (180deg=-0.181) 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 0.824 -0.466 -0.568 1.00 52.24 N ATOM 2 CA MET A 1 1.692 0.014 -1.637 1.00 5.21 C ATOM 3 C MET A 1 3.015 -0.746 -1.645 1.00 2.52 C ATOM 4 O MET A 1 3.415 -1.328 -0.636 1.00 72.42 O ATOM 5 CB MET A 1 1.953 1.513 -1.477 1.00 10.33 C ATOM 6 CG MET A 1 2.183 2.234 -2.795 1.00 1.30 C ATOM 7 SD MET A 1 3.098 3.775 -2.593 1.00 52.05 S ATOM 8 CE MET A 1 4.540 3.198 -1.702 1.00 45.23 C ATOM 0 H1 MET A 1 0.287 0.332 -0.172 1.00 52.24 H new ATOM 0 H2 MET A 1 0.163 -1.173 -0.949 1.00 52.24 H new ATOM 0 H3 MET A 1 1.402 -0.900 0.180 1.00 52.24 H new ATOM 0 HA MET A 1 1.187 -0.160 -2.587 1.00 5.21 H new ATOM 0 HB2 MET A 1 1.105 1.969 -0.966 1.00 10.33 H new ATOM 0 HB3 MET A 1 2.824 1.656 -0.837 1.00 10.33 H new ATOM 0 HG2 MET A 1 2.729 1.578 -3.473 1.00 1.30 H new ATOM 0 HG3 MET A 1 1.221 2.446 -3.262 1.00 1.30 H new ATOM 0 HE1 MET A 1 5.283 3.994 -1.657 1.00 45.23 H new ATOM 0 HE2 MET A 1 4.252 2.913 -0.690 1.00 45.23 H new ATOM 0 HE3 MET A 1 4.964 2.335 -2.216 1.00 45.23 H new ATOM 18 N THR A 2 3.691 -0.736 -2.789 1.00 44.15 N ATOM 19 CA THR A 2 4.968 -1.425 -2.929 1.00 31.12 C ATOM 20 C THR A 2 6.126 -0.435 -2.965 1.00 4.15 C ATOM 21 O THR A 2 6.096 0.545 -3.711 1.00 24.24 O ATOM 22 CB THR A 2 5.005 -2.287 -4.205 1.00 13.10 C ATOM 23 OG1 THR A 2 4.055 -3.354 -4.103 1.00 41.11 O ATOM 24 CG2 THR A 2 6.396 -2.859 -4.432 1.00 32.24 C ATOM 0 H THR A 2 3.375 -0.258 -3.633 1.00 44.15 H new ATOM 0 HA THR A 2 5.074 -2.073 -2.059 1.00 31.12 H new ATOM 0 HB THR A 2 4.748 -1.652 -5.053 1.00 13.10 H new ATOM 0 HG1 THR A 2 4.083 -3.896 -4.919 1.00 41.11 H new ATOM 0 HG21 THR A 2 6.397 -3.464 -5.339 1.00 32.24 H new ATOM 0 HG22 THR A 2 7.112 -2.044 -4.539 1.00 32.24 H new ATOM 0 HG23 THR A 2 6.677 -3.480 -3.581 1.00 32.24 H new ATOM 32 N LEU A 3 7.147 -0.696 -2.155 1.00 14.12 N ATOM 33 CA LEU A 3 8.317 0.173 -2.094 1.00 60.13 C ATOM 34 C LEU A 3 9.578 -0.584 -2.498 1.00 43.23 C ATOM 35 O LEU A 3 9.896 -1.629 -1.930 1.00 32.31 O ATOM 36 CB LEU A 3 8.481 0.744 -0.685 1.00 35.24 C ATOM 37 CG LEU A 3 8.517 2.269 -0.578 1.00 64.32 C ATOM 38 CD1 LEU A 3 7.669 2.901 -1.671 1.00 64.20 C ATOM 39 CD2 LEU A 3 8.042 2.719 0.796 1.00 43.04 C ATOM 0 H LEU A 3 7.188 -1.502 -1.532 1.00 14.12 H new ATOM 0 HA LEU A 3 8.166 0.993 -2.796 1.00 60.13 H new ATOM 0 HB2 LEU A 3 7.661 0.376 -0.068 1.00 35.24 H new ATOM 0 HB3 LEU A 3 9.403 0.348 -0.259 1.00 35.24 H new ATOM 0 HG LEU A 3 9.547 2.599 -0.710 1.00 64.32 H new ATOM 0 HD11 LEU A 3 7.707 3.986 -1.579 1.00 64.20 H new ATOM 0 HD12 LEU A 3 8.055 2.606 -2.647 1.00 64.20 H new ATOM 0 HD13 LEU A 3 6.637 2.564 -1.572 1.00 64.20 H new ATOM 0 HD21 LEU A 3 8.074 3.807 0.854 1.00 43.04 H new ATOM 0 HD22 LEU A 3 7.020 2.377 0.957 1.00 43.04 H new ATOM 0 HD23 LEU A 3 8.691 2.295 1.562 1.00 43.04 H new ATOM 51 N CYS A 4 10.294 -0.048 -3.481 1.00 20.13 N ATOM 52 CA CYS A 4 11.522 -0.672 -3.960 1.00 63.10 C ATOM 53 C CYS A 4 12.710 0.270 -3.797 1.00 4.21 C ATOM 54 O CYS A 4 12.541 1.483 -3.679 1.00 4.44 O ATOM 55 CB CYS A 4 11.374 -1.077 -5.427 1.00 44.34 C ATOM 56 SG CYS A 4 9.910 -2.080 -5.773 1.00 10.53 S ATOM 0 H CYS A 4 10.045 0.817 -3.961 1.00 20.13 H new ATOM 0 HA CYS A 4 11.705 -1.564 -3.361 1.00 63.10 H new ATOM 0 HB2 CYS A 4 11.337 -0.176 -6.039 1.00 44.34 H new ATOM 0 HB3 CYS A 4 12.261 -1.632 -5.731 1.00 44.34 H new ATOM 0 HG CYS A 4 10.154 -2.872 -6.774 1.00 10.53 H new ATOM 62 N ALA A 5 13.912 -0.297 -3.790 1.00 2.01 N ATOM 63 CA ALA A 5 15.129 0.492 -3.641 1.00 54.35 C ATOM 64 C ALA A 5 16.209 0.024 -4.611 1.00 15.20 C ATOM 65 O ALA A 5 16.356 -1.172 -4.860 1.00 0.02 O ATOM 66 CB ALA A 5 15.635 0.418 -2.209 1.00 34.35 C ATOM 0 H ALA A 5 14.069 -1.300 -3.886 1.00 2.01 H new ATOM 0 HA ALA A 5 14.891 1.529 -3.876 1.00 54.35 H new ATOM 0 HB1 ALA A 5 16.544 1.012 -2.113 1.00 34.35 H new ATOM 0 HB2 ALA A 5 14.874 0.808 -1.533 1.00 34.35 H new ATOM 0 HB3 ALA A 5 15.850 -0.619 -1.952 1.00 34.35 H new ATOM 72 N MET A 6 16.961 0.975 -5.156 1.00 34.12 N ATOM 73 CA MET A 6 18.028 0.658 -6.098 1.00 53.51 C ATOM 74 C MET A 6 19.386 1.070 -5.539 1.00 61.04 C ATOM 75 O MET A 6 19.596 2.230 -5.183 1.00 32.44 O ATOM 76 CB MET A 6 17.780 1.358 -7.436 1.00 1.43 C ATOM 77 CG MET A 6 18.965 1.290 -8.386 1.00 12.54 C ATOM 78 SD MET A 6 18.711 2.262 -9.883 1.00 71.13 S ATOM 79 CE MET A 6 17.616 1.185 -10.804 1.00 74.40 C ATOM 0 H MET A 6 16.851 1.970 -4.962 1.00 34.12 H new ATOM 0 HA MET A 6 18.032 -0.421 -6.256 1.00 53.51 H new ATOM 0 HB2 MET A 6 16.912 0.907 -7.917 1.00 1.43 H new ATOM 0 HB3 MET A 6 17.534 2.403 -7.250 1.00 1.43 H new ATOM 0 HG2 MET A 6 19.858 1.647 -7.873 1.00 12.54 H new ATOM 0 HG3 MET A 6 19.148 0.251 -8.659 1.00 12.54 H new ATOM 0 HE1 MET A 6 17.353 1.657 -11.751 1.00 74.40 H new ATOM 0 HE2 MET A 6 18.117 0.237 -10.998 1.00 74.40 H new ATOM 0 HE3 MET A 6 16.711 1.005 -10.224 1.00 74.40 H new ATOM 89 N TYR A 7 20.305 0.113 -5.466 1.00 12.41 N ATOM 90 CA TYR A 7 21.642 0.376 -4.948 1.00 1.32 C ATOM 91 C TYR A 7 22.705 0.043 -5.990 1.00 3.00 C ATOM 92 O TYR A 7 22.590 -0.943 -6.717 1.00 5.05 O ATOM 93 CB TYR A 7 21.888 -0.436 -3.675 1.00 15.41 C ATOM 94 CG TYR A 7 22.106 -1.910 -3.930 1.00 12.12 C ATOM 95 CD1 TYR A 7 23.371 -2.404 -4.224 1.00 73.14 C ATOM 96 CD2 TYR A 7 21.048 -2.809 -3.877 1.00 55.52 C ATOM 97 CE1 TYR A 7 23.575 -3.750 -4.459 1.00 31.23 C ATOM 98 CE2 TYR A 7 21.243 -4.156 -4.109 1.00 33.34 C ATOM 99 CZ TYR A 7 22.508 -4.622 -4.399 1.00 70.22 C ATOM 100 OH TYR A 7 22.706 -5.964 -4.632 1.00 3.02 O ATOM 0 H TYR A 7 20.148 -0.851 -5.759 1.00 12.41 H new ATOM 0 HA TYR A 7 21.710 1.438 -4.712 1.00 1.32 H new ATOM 0 HB2 TYR A 7 22.759 -0.032 -3.159 1.00 15.41 H new ATOM 0 HB3 TYR A 7 21.036 -0.314 -3.006 1.00 15.41 H new ATOM 0 HD1 TYR A 7 24.209 -1.724 -4.270 1.00 73.14 H new ATOM 0 HD2 TYR A 7 20.056 -2.448 -3.650 1.00 55.52 H new ATOM 0 HE1 TYR A 7 24.564 -4.117 -4.688 1.00 31.23 H new ATOM 0 HE2 TYR A 7 20.409 -4.841 -4.064 1.00 33.34 H new ATOM 0 HH TYR A 7 21.853 -6.440 -4.550 1.00 3.02 H new ATOM 110 N ASN A 8 23.741 0.874 -6.056 1.00 31.53 N ATOM 111 CA ASN A 8 24.826 0.668 -7.008 1.00 40.23 C ATOM 112 C ASN A 8 26.147 0.425 -6.284 1.00 73.43 C ATOM 113 O ASN A 8 26.486 1.132 -5.335 1.00 54.54 O ATOM 114 CB ASN A 8 24.955 1.879 -7.935 1.00 2.13 C ATOM 115 CG ASN A 8 23.613 2.350 -8.461 1.00 1.44 C ATOM 116 OD1 ASN A 8 22.632 1.607 -8.445 1.00 11.12 O ATOM 117 ND2 ASN A 8 23.565 3.592 -8.930 1.00 73.42 N ATOM 0 H ASN A 8 23.851 1.696 -5.462 1.00 31.53 H new ATOM 0 HA ASN A 8 24.591 -0.214 -7.603 1.00 40.23 H new ATOM 0 HB2 ASN A 8 25.438 2.695 -7.397 1.00 2.13 H new ATOM 0 HB3 ASN A 8 25.602 1.623 -8.774 1.00 2.13 H new ATOM 0 HD21 ASN A 8 22.689 3.965 -9.297 1.00 73.42 H new ATOM 0 HD22 ASN A 8 24.404 4.172 -8.923 1.00 73.42 H new ATOM 124 N ILE A 9 26.888 -0.580 -6.739 1.00 33.21 N ATOM 125 CA ILE A 9 28.172 -0.916 -6.136 1.00 15.31 C ATOM 126 C ILE A 9 29.317 -0.680 -7.115 1.00 31.24 C ATOM 127 O ILE A 9 29.274 -1.136 -8.257 1.00 64.22 O ATOM 128 CB ILE A 9 28.206 -2.382 -5.665 1.00 45.23 C ATOM 129 CG1 ILE A 9 27.545 -3.290 -6.704 1.00 55.50 C ATOM 130 CG2 ILE A 9 27.518 -2.522 -4.316 1.00 53.50 C ATOM 131 CD1 ILE A 9 27.503 -4.745 -6.295 1.00 71.34 C ATOM 0 H ILE A 9 26.621 -1.176 -7.523 1.00 33.21 H new ATOM 0 HA ILE A 9 28.296 -0.263 -5.272 1.00 15.31 H new ATOM 0 HB ILE A 9 29.246 -2.688 -5.553 1.00 45.23 H new ATOM 0 HG12 ILE A 9 26.528 -2.942 -6.884 1.00 55.50 H new ATOM 0 HG13 ILE A 9 28.084 -3.202 -7.647 1.00 55.50 H new ATOM 0 HG21 ILE A 9 27.551 -3.564 -3.997 1.00 53.50 H new ATOM 0 HG22 ILE A 9 28.030 -1.901 -3.580 1.00 53.50 H new ATOM 0 HG23 ILE A 9 26.480 -2.201 -4.402 1.00 53.50 H new ATOM 0 HD11 ILE A 9 27.021 -5.329 -7.079 1.00 71.34 H new ATOM 0 HD12 ILE A 9 28.519 -5.110 -6.143 1.00 71.34 H new ATOM 0 HD13 ILE A 9 26.939 -4.846 -5.368 1.00 71.34 H new ATOM 143 N SER A 10 30.341 0.033 -6.658 1.00 1.41 N ATOM 144 CA SER A 10 31.498 0.331 -7.494 1.00 2.53 C ATOM 145 C SER A 10 32.768 -0.267 -6.896 1.00 43.52 C ATOM 146 O SER A 10 33.115 0.006 -5.747 1.00 53.13 O ATOM 147 CB SER A 10 31.661 1.844 -7.656 1.00 54.01 C ATOM 148 OG SER A 10 32.348 2.157 -8.855 1.00 52.31 O ATOM 0 H SER A 10 30.393 0.415 -5.714 1.00 1.41 H new ATOM 0 HA SER A 10 31.332 -0.116 -8.474 1.00 2.53 H new ATOM 0 HB2 SER A 10 30.681 2.320 -7.660 1.00 54.01 H new ATOM 0 HB3 SER A 10 32.208 2.247 -6.804 1.00 54.01 H new ATOM 0 HG SER A 10 33.300 2.289 -8.662 1.00 52.31 H new ATOM 154 N MET A 11 33.458 -1.084 -7.686 1.00 1.45 N ATOM 155 CA MET A 11 34.691 -1.720 -7.236 1.00 13.13 C ATOM 156 C MET A 11 35.908 -0.901 -7.651 1.00 45.51 C ATOM 157 O MET A 11 37.047 -1.288 -7.390 1.00 10.41 O ATOM 158 CB MET A 11 34.796 -3.136 -7.805 1.00 30.11 C ATOM 159 CG MET A 11 35.002 -3.172 -9.311 1.00 23.05 C ATOM 160 SD MET A 11 33.530 -3.712 -10.201 1.00 1.33 S ATOM 161 CE MET A 11 33.787 -2.924 -11.789 1.00 12.04 C ATOM 0 H MET A 11 33.185 -1.321 -8.640 1.00 1.45 H new ATOM 0 HA MET A 11 34.666 -1.774 -6.148 1.00 13.13 H new ATOM 0 HB2 MET A 11 35.625 -3.653 -7.321 1.00 30.11 H new ATOM 0 HB3 MET A 11 33.888 -3.687 -7.557 1.00 30.11 H new ATOM 0 HG2 MET A 11 35.288 -2.179 -9.658 1.00 23.05 H new ATOM 0 HG3 MET A 11 35.829 -3.842 -9.545 1.00 23.05 H new ATOM 0 HE1 MET A 11 32.957 -3.164 -12.453 1.00 12.04 H new ATOM 0 HE2 MET A 11 33.843 -1.844 -11.654 1.00 12.04 H new ATOM 0 HE3 MET A 11 34.718 -3.284 -12.227 1.00 12.04 H new ATOM 171 N ALA A 12 35.660 0.233 -8.299 1.00 64.24 N ATOM 172 CA ALA A 12 36.737 1.107 -8.749 1.00 73.11 C ATOM 173 C ALA A 12 36.184 2.341 -9.453 1.00 15.41 C ATOM 174 O ALA A 12 34.998 2.651 -9.344 1.00 11.01 O ATOM 175 CB ALA A 12 37.681 0.350 -9.671 1.00 71.12 C ATOM 0 H ALA A 12 34.723 0.568 -8.524 1.00 64.24 H new ATOM 0 HA ALA A 12 37.292 1.439 -7.872 1.00 73.11 H new ATOM 0 HB1 ALA A 12 38.480 1.015 -9.999 1.00 71.12 H new ATOM 0 HB2 ALA A 12 38.111 -0.497 -9.136 1.00 71.12 H new ATOM 0 HB3 ALA A 12 37.130 -0.011 -10.539 1.00 71.12 H new ATOM 181 N GLY A 13 37.051 3.044 -10.175 1.00 41.10 N ATOM 182 CA GLY A 13 36.630 4.238 -10.885 1.00 63.43 C ATOM 183 C GLY A 13 36.067 3.927 -12.258 1.00 44.11 C ATOM 184 O GLY A 13 35.982 4.807 -13.115 1.00 30.21 O ATOM 0 H GLY A 13 38.038 2.808 -10.281 1.00 41.10 H new ATOM 0 HA2 GLY A 13 35.876 4.760 -10.296 1.00 63.43 H new ATOM 0 HA3 GLY A 13 37.479 4.914 -10.988 1.00 63.43 H new ATOM 188 N SER A 14 35.684 2.672 -12.469 1.00 11.03 N ATOM 189 CA SER A 14 35.131 2.246 -13.749 1.00 44.23 C ATOM 190 C SER A 14 33.628 2.013 -13.642 1.00 34.14 C ATOM 191 O SER A 14 33.096 1.811 -12.549 1.00 74.25 O ATOM 192 CB SER A 14 35.824 0.969 -14.228 1.00 61.02 C ATOM 193 OG SER A 14 35.545 0.719 -15.595 1.00 33.13 O ATOM 0 H SER A 14 35.747 1.932 -11.770 1.00 11.03 H new ATOM 0 HA SER A 14 35.306 3.040 -14.474 1.00 44.23 H new ATOM 0 HB2 SER A 14 36.901 1.060 -14.084 1.00 61.02 H new ATOM 0 HB3 SER A 14 35.492 0.124 -13.625 1.00 61.02 H new ATOM 0 HG SER A 14 36.001 -0.101 -15.877 1.00 33.13 H new ATOM 199 N HIS A 15 32.947 2.043 -14.783 1.00 62.52 N ATOM 200 CA HIS A 15 31.504 1.834 -14.819 1.00 20.23 C ATOM 201 C HIS A 15 31.067 0.870 -13.719 1.00 42.52 C ATOM 202 O HIS A 15 31.299 -0.337 -13.790 1.00 1.43 O ATOM 203 CB HIS A 15 31.079 1.294 -16.185 1.00 20.25 C ATOM 204 CG HIS A 15 31.358 2.236 -17.315 1.00 3.24 C ATOM 205 ND1 HIS A 15 30.745 3.465 -17.439 1.00 2.03 N ATOM 206 CD2 HIS A 15 32.192 2.125 -18.375 1.00 24.33 C ATOM 207 CE1 HIS A 15 31.189 4.068 -18.527 1.00 73.13 C ATOM 208 NE2 HIS A 15 32.068 3.276 -19.113 1.00 64.22 N ATOM 0 H HIS A 15 33.371 2.210 -15.695 1.00 62.52 H new ATOM 0 HA HIS A 15 31.018 2.795 -14.650 1.00 20.23 H new ATOM 0 HB2 HIS A 15 31.596 0.353 -16.371 1.00 20.25 H new ATOM 0 HB3 HIS A 15 30.012 1.072 -16.163 1.00 20.25 H new ATOM 0 HD2 HIS A 15 32.835 1.287 -18.599 1.00 24.33 H new ATOM 0 HE1 HIS A 15 30.885 5.043 -18.878 1.00 73.13 H new ATOM 0 HE2 HIS A 15 32.573 3.485 -19.974 1.00 64.22 H new ATOM 216 N PRO A 16 30.420 1.414 -12.678 1.00 2.43 N ATOM 217 CA PRO A 16 29.938 0.621 -11.543 1.00 72.24 C ATOM 218 C PRO A 16 28.769 -0.282 -11.923 1.00 65.51 C ATOM 219 O PRO A 16 28.378 -0.353 -13.089 1.00 25.22 O ATOM 220 CB PRO A 16 29.488 1.681 -10.535 1.00 24.24 C ATOM 221 CG PRO A 16 29.160 2.876 -11.362 1.00 22.35 C ATOM 222 CD PRO A 16 30.109 2.846 -12.527 1.00 64.14 C ATOM 0 HA PRO A 16 30.705 -0.052 -11.160 1.00 72.24 H new ATOM 0 HB2 PRO A 16 28.622 1.344 -9.966 1.00 24.24 H new ATOM 0 HB3 PRO A 16 30.276 1.902 -9.815 1.00 24.24 H new ATOM 0 HG2 PRO A 16 28.125 2.844 -11.701 1.00 22.35 H new ATOM 0 HG3 PRO A 16 29.278 3.794 -10.786 1.00 22.35 H new ATOM 0 HD2 PRO A 16 29.652 3.255 -13.428 1.00 64.14 H new ATOM 0 HD3 PRO A 16 31.006 3.433 -12.330 1.00 64.14 H new ATOM 230 N THR A 17 28.214 -0.973 -10.932 1.00 2.54 N ATOM 231 CA THR A 17 27.091 -1.872 -11.162 1.00 11.01 C ATOM 232 C THR A 17 25.841 -1.389 -10.435 1.00 4.54 C ATOM 233 O THR A 17 25.868 -1.143 -9.228 1.00 50.42 O ATOM 234 CB THR A 17 27.416 -3.306 -10.702 1.00 51.25 C ATOM 235 OG1 THR A 17 28.819 -3.558 -10.839 1.00 52.14 O ATOM 236 CG2 THR A 17 26.631 -4.325 -11.514 1.00 72.21 C ATOM 0 H THR A 17 28.525 -0.927 -9.962 1.00 2.54 H new ATOM 0 HA THR A 17 26.905 -1.876 -12.236 1.00 11.01 H new ATOM 0 HB THR A 17 27.131 -3.402 -9.654 1.00 51.25 H new ATOM 0 HG1 THR A 17 29.018 -4.471 -10.543 1.00 52.14 H new ATOM 0 HG21 THR A 17 26.877 -5.330 -11.172 1.00 72.21 H new ATOM 0 HG22 THR A 17 25.563 -4.148 -11.385 1.00 72.21 H new ATOM 0 HG23 THR A 17 26.890 -4.227 -12.568 1.00 72.21 H new ATOM 244 N THR A 18 24.746 -1.254 -11.175 1.00 74.35 N ATOM 245 CA THR A 18 23.486 -0.800 -10.601 1.00 53.31 C ATOM 246 C THR A 18 22.495 -1.950 -10.470 1.00 35.45 C ATOM 247 O THR A 18 22.315 -2.737 -11.400 1.00 40.41 O ATOM 248 CB THR A 18 22.850 0.316 -11.452 1.00 61.45 C ATOM 249 OG1 THR A 18 23.692 1.474 -11.451 1.00 25.51 O ATOM 250 CG2 THR A 18 21.473 0.683 -10.922 1.00 12.45 C ATOM 0 H THR A 18 24.706 -1.453 -12.175 1.00 74.35 H new ATOM 0 HA THR A 18 23.714 -0.406 -9.611 1.00 53.31 H new ATOM 0 HB THR A 18 22.742 -0.053 -12.472 1.00 61.45 H new ATOM 0 HG1 THR A 18 23.281 2.178 -11.995 1.00 25.51 H new ATOM 0 HG21 THR A 18 21.044 1.473 -11.539 1.00 12.45 H new ATOM 0 HG22 THR A 18 20.826 -0.193 -10.953 1.00 12.45 H new ATOM 0 HG23 THR A 18 21.560 1.033 -9.894 1.00 12.45 H new ATOM 258 N ILE A 19 21.853 -2.043 -9.310 1.00 2.15 N ATOM 259 CA ILE A 19 20.879 -3.097 -9.058 1.00 74.20 C ATOM 260 C ILE A 19 19.625 -2.540 -8.391 1.00 45.35 C ATOM 261 O ILE A 19 19.706 -1.664 -7.529 1.00 30.53 O ATOM 262 CB ILE A 19 21.468 -4.208 -8.169 1.00 71.55 C ATOM 263 CG1 ILE A 19 21.903 -5.399 -9.026 1.00 31.51 C ATOM 264 CG2 ILE A 19 20.453 -4.644 -7.123 1.00 60.11 C ATOM 265 CD1 ILE A 19 22.201 -6.645 -8.221 1.00 60.34 C ATOM 0 H ILE A 19 21.990 -1.401 -8.530 1.00 2.15 H new ATOM 0 HA ILE A 19 20.615 -3.520 -10.027 1.00 74.20 H new ATOM 0 HB ILE A 19 22.345 -3.815 -7.654 1.00 71.55 H new ATOM 0 HG12 ILE A 19 21.118 -5.622 -9.749 1.00 31.51 H new ATOM 0 HG13 ILE A 19 22.791 -5.122 -9.595 1.00 31.51 H new ATOM 0 HG21 ILE A 19 20.884 -5.430 -6.503 1.00 60.11 H new ATOM 0 HG22 ILE A 19 20.187 -3.792 -6.497 1.00 60.11 H new ATOM 0 HG23 ILE A 19 19.559 -5.023 -7.619 1.00 60.11 H new ATOM 0 HD11 ILE A 19 22.503 -7.449 -8.893 1.00 60.34 H new ATOM 0 HD12 ILE A 19 23.007 -6.439 -7.516 1.00 60.34 H new ATOM 0 HD13 ILE A 19 21.308 -6.946 -7.673 1.00 60.34 H new ATOM 277 N CYS A 20 18.469 -3.053 -8.796 1.00 20.24 N ATOM 278 CA CYS A 20 17.198 -2.608 -8.237 1.00 15.53 C ATOM 279 C CYS A 20 16.418 -3.782 -7.655 1.00 73.33 C ATOM 280 O CYS A 20 16.076 -4.727 -8.366 1.00 62.44 O ATOM 281 CB CYS A 20 16.363 -1.907 -9.309 1.00 51.55 C ATOM 282 SG CYS A 20 14.708 -1.427 -8.761 1.00 1.11 S ATOM 0 H CYS A 20 18.386 -3.777 -9.509 1.00 20.24 H new ATOM 0 HA CYS A 20 17.411 -1.903 -7.433 1.00 15.53 H new ATOM 0 HB2 CYS A 20 16.895 -1.017 -9.644 1.00 51.55 H new ATOM 0 HB3 CYS A 20 16.271 -2.567 -10.172 1.00 51.55 H new ATOM 0 HG CYS A 20 14.081 -0.840 -9.737 1.00 1.11 H new ATOM 288 N VAL A 21 16.140 -3.717 -6.357 1.00 22.11 N ATOM 289 CA VAL A 21 15.401 -4.775 -5.679 1.00 21.40 C ATOM 290 C VAL A 21 14.393 -4.197 -4.693 1.00 13.41 C ATOM 291 O VAL A 21 14.623 -3.143 -4.099 1.00 23.43 O ATOM 292 CB VAL A 21 16.349 -5.729 -4.927 1.00 52.21 C ATOM 293 CG1 VAL A 21 17.217 -6.502 -5.908 1.00 1.01 C ATOM 294 CG2 VAL A 21 17.207 -4.955 -3.937 1.00 71.45 C ATOM 0 H VAL A 21 16.416 -2.942 -5.754 1.00 22.11 H new ATOM 0 HA VAL A 21 14.871 -5.334 -6.450 1.00 21.40 H new ATOM 0 HB VAL A 21 15.748 -6.446 -4.368 1.00 52.21 H new ATOM 0 HG11 VAL A 21 17.880 -7.171 -5.359 1.00 1.01 H new ATOM 0 HG12 VAL A 21 16.582 -7.087 -6.573 1.00 1.01 H new ATOM 0 HG13 VAL A 21 17.812 -5.803 -6.496 1.00 1.01 H new ATOM 0 HG21 VAL A 21 17.871 -5.644 -3.414 1.00 71.45 H new ATOM 0 HG22 VAL A 21 17.801 -4.214 -4.472 1.00 71.45 H new ATOM 0 HG23 VAL A 21 16.565 -4.452 -3.214 1.00 71.45 H new ATOM 304 N VAL A 22 13.273 -4.893 -4.523 1.00 1.32 N ATOM 305 CA VAL A 22 12.229 -4.449 -3.607 1.00 72.20 C ATOM 306 C VAL A 22 12.722 -4.461 -2.164 1.00 74.24 C ATOM 307 O VAL A 22 13.652 -5.190 -1.822 1.00 2.11 O ATOM 308 CB VAL A 22 10.973 -5.335 -3.716 1.00 42.44 C ATOM 309 CG1 VAL A 22 10.472 -5.376 -5.152 1.00 10.40 C ATOM 310 CG2 VAL A 22 11.265 -6.737 -3.204 1.00 74.15 C ATOM 0 H VAL A 22 13.066 -5.766 -5.008 1.00 1.32 H new ATOM 0 HA VAL A 22 11.971 -3.429 -3.891 1.00 72.20 H new ATOM 0 HB VAL A 22 10.189 -4.902 -3.095 1.00 42.44 H new ATOM 0 HG11 VAL A 22 9.585 -6.006 -5.210 1.00 10.40 H new ATOM 0 HG12 VAL A 22 10.222 -4.367 -5.479 1.00 10.40 H new ATOM 0 HG13 VAL A 22 11.250 -5.784 -5.797 1.00 10.40 H new ATOM 0 HG21 VAL A 22 10.367 -7.349 -3.288 1.00 74.15 H new ATOM 0 HG22 VAL A 22 12.064 -7.182 -3.797 1.00 74.15 H new ATOM 0 HG23 VAL A 22 11.573 -6.686 -2.160 1.00 74.15 H new ATOM 320 N MET A 23 12.091 -3.649 -1.323 1.00 35.24 N ATOM 321 CA MET A 23 12.464 -3.568 0.085 1.00 40.33 C ATOM 322 C MET A 23 12.465 -4.951 0.728 1.00 52.11 C ATOM 323 O MET A 23 13.324 -5.261 1.554 1.00 74.34 O ATOM 324 CB MET A 23 11.504 -2.643 0.837 1.00 63.45 C ATOM 325 CG MET A 23 10.070 -3.146 0.860 1.00 11.00 C ATOM 326 SD MET A 23 8.902 -1.888 1.411 1.00 0.32 S ATOM 327 CE MET A 23 8.003 -2.789 2.671 1.00 74.12 C ATOM 0 H MET A 23 11.320 -3.038 -1.591 1.00 35.24 H new ATOM 0 HA MET A 23 13.473 -3.159 0.145 1.00 40.33 H new ATOM 0 HB2 MET A 23 11.855 -2.524 1.862 1.00 63.45 H new ATOM 0 HB3 MET A 23 11.527 -1.656 0.375 1.00 63.45 H new ATOM 0 HG2 MET A 23 9.791 -3.483 -0.138 1.00 11.00 H new ATOM 0 HG3 MET A 23 10.003 -4.012 1.519 1.00 11.00 H new ATOM 0 HE1 MET A 23 7.242 -2.142 3.108 1.00 74.12 H new ATOM 0 HE2 MET A 23 7.526 -3.661 2.224 1.00 74.12 H new ATOM 0 HE3 MET A 23 8.694 -3.113 3.449 1.00 74.12 H new ATOM 337 N ASP A 24 11.498 -5.777 0.345 1.00 73.02 N ATOM 338 CA ASP A 24 11.388 -7.128 0.884 1.00 55.42 C ATOM 339 C ASP A 24 12.665 -7.921 0.627 1.00 10.12 C ATOM 340 O ASP A 24 13.106 -8.698 1.475 1.00 53.35 O ATOM 341 CB ASP A 24 10.190 -7.851 0.265 1.00 43.41 C ATOM 342 CG ASP A 24 8.944 -6.987 0.236 1.00 64.42 C ATOM 343 OD1 ASP A 24 8.797 -6.191 -0.715 1.00 10.05 O ATOM 344 OD2 ASP A 24 8.117 -7.108 1.164 1.00 40.52 O ATOM 0 H ASP A 24 10.779 -5.535 -0.337 1.00 73.02 H new ATOM 0 HA ASP A 24 11.240 -7.052 1.961 1.00 55.42 H new ATOM 0 HB2 ASP A 24 10.440 -8.158 -0.751 1.00 43.41 H new ATOM 0 HB3 ASP A 24 9.985 -8.760 0.831 1.00 43.41 H new ATOM 349 N ARG A 25 13.254 -7.721 -0.547 1.00 50.42 N ATOM 350 CA ARG A 25 14.479 -8.419 -0.916 1.00 64.03 C ATOM 351 C ARG A 25 15.690 -7.500 -0.783 1.00 22.14 C ATOM 352 O ARG A 25 16.834 -7.945 -0.881 1.00 41.34 O ATOM 353 CB ARG A 25 14.380 -8.944 -2.350 1.00 23.33 C ATOM 354 CG ARG A 25 13.212 -9.891 -2.572 1.00 24.41 C ATOM 355 CD ARG A 25 13.288 -10.559 -3.936 1.00 24.21 C ATOM 356 NE ARG A 25 12.242 -11.562 -4.114 1.00 14.14 N ATOM 357 CZ ARG A 25 11.941 -12.111 -5.285 1.00 40.12 C ATOM 358 NH1 ARG A 25 12.605 -11.757 -6.377 1.00 12.41 N ATOM 359 NH2 ARG A 25 10.975 -13.017 -5.366 1.00 40.05 N ATOM 0 H ARG A 25 12.902 -7.081 -1.259 1.00 50.42 H new ATOM 0 HA ARG A 25 14.606 -9.261 -0.235 1.00 64.03 H new ATOM 0 HB2 ARG A 25 14.286 -8.099 -3.032 1.00 23.33 H new ATOM 0 HB3 ARG A 25 15.307 -9.458 -2.605 1.00 23.33 H new ATOM 0 HG2 ARG A 25 13.207 -10.653 -1.792 1.00 24.41 H new ATOM 0 HG3 ARG A 25 12.275 -9.341 -2.487 1.00 24.41 H new ATOM 0 HD2 ARG A 25 13.201 -9.802 -4.715 1.00 24.21 H new ATOM 0 HD3 ARG A 25 14.264 -11.029 -4.056 1.00 24.21 H new ATOM 0 HE ARG A 25 11.713 -11.857 -3.293 1.00 14.14 H new ATOM 0 HH11 ARG A 25 13.349 -11.062 -6.319 1.00 12.41 H new ATOM 0 HH12 ARG A 25 12.372 -12.180 -7.275 1.00 12.41 H new ATOM 0 HH21 ARG A 25 10.463 -13.292 -4.528 1.00 40.05 H new ATOM 0 HH22 ARG A 25 10.745 -13.438 -6.266 1.00 40.05 H new ATOM 373 N PHE A 26 15.430 -6.216 -0.558 1.00 23.42 N ATOM 374 CA PHE A 26 16.498 -5.234 -0.412 1.00 63.31 C ATOM 375 C PHE A 26 17.328 -5.515 0.837 1.00 4.22 C ATOM 376 O PHE A 26 18.559 -5.477 0.800 1.00 1.54 O ATOM 377 CB PHE A 26 15.915 -3.821 -0.344 1.00 30.42 C ATOM 378 CG PHE A 26 16.960 -2.743 -0.303 1.00 14.15 C ATOM 379 CD1 PHE A 26 18.056 -2.790 -1.148 1.00 5.12 C ATOM 380 CD2 PHE A 26 16.844 -1.682 0.581 1.00 4.01 C ATOM 381 CE1 PHE A 26 19.019 -1.799 -1.111 1.00 64.22 C ATOM 382 CE2 PHE A 26 17.804 -0.688 0.622 1.00 40.01 C ATOM 383 CZ PHE A 26 18.892 -0.746 -0.226 1.00 65.32 C ATOM 0 H PHE A 26 14.489 -5.832 -0.473 1.00 23.42 H new ATOM 0 HA PHE A 26 17.148 -5.309 -1.283 1.00 63.31 H new ATOM 0 HB2 PHE A 26 15.272 -3.660 -1.209 1.00 30.42 H new ATOM 0 HB3 PHE A 26 15.285 -3.739 0.541 1.00 30.42 H new ATOM 0 HD1 PHE A 26 18.160 -3.610 -1.843 1.00 5.12 H new ATOM 0 HD2 PHE A 26 15.994 -1.631 1.245 1.00 4.01 H new ATOM 0 HE1 PHE A 26 19.870 -1.848 -1.774 1.00 64.22 H new ATOM 0 HE2 PHE A 26 17.703 0.133 1.317 1.00 40.01 H new ATOM 0 HZ PHE A 26 19.642 0.030 -0.197 1.00 65.32 H new ATOM 393 N LEU A 27 16.647 -5.796 1.942 1.00 33.21 N ATOM 394 CA LEU A 27 17.320 -6.083 3.204 1.00 32.02 C ATOM 395 C LEU A 27 18.253 -7.281 3.064 1.00 71.44 C ATOM 396 O LEU A 27 19.416 -7.224 3.461 1.00 11.12 O ATOM 397 CB LEU A 27 16.291 -6.350 4.304 1.00 10.54 C ATOM 398 CG LEU A 27 15.194 -7.360 3.967 1.00 23.33 C ATOM 399 CD1 LEU A 27 15.514 -8.717 4.575 1.00 32.22 C ATOM 400 CD2 LEU A 27 13.841 -6.861 4.453 1.00 23.33 C ATOM 0 H LEU A 27 15.629 -5.831 1.990 1.00 33.21 H new ATOM 0 HA LEU A 27 17.916 -5.212 3.475 1.00 32.02 H new ATOM 0 HB2 LEU A 27 16.819 -6.700 5.191 1.00 10.54 H new ATOM 0 HB3 LEU A 27 15.818 -5.404 4.568 1.00 10.54 H new ATOM 0 HG LEU A 27 15.149 -7.471 2.884 1.00 23.33 H new ATOM 0 HD11 LEU A 27 14.722 -9.423 4.325 1.00 32.22 H new ATOM 0 HD12 LEU A 27 16.462 -9.079 4.178 1.00 32.22 H new ATOM 0 HD13 LEU A 27 15.587 -8.622 5.658 1.00 32.22 H new ATOM 0 HD21 LEU A 27 13.073 -7.593 4.204 1.00 23.33 H new ATOM 0 HD22 LEU A 27 13.872 -6.720 5.533 1.00 23.33 H new ATOM 0 HD23 LEU A 27 13.608 -5.912 3.970 1.00 23.33 H new ATOM 412 N GLU A 28 17.735 -8.365 2.494 1.00 53.14 N ATOM 413 CA GLU A 28 18.523 -9.576 2.300 1.00 70.25 C ATOM 414 C GLU A 28 19.590 -9.365 1.229 1.00 31.41 C ATOM 415 O GLU A 28 20.753 -9.722 1.418 1.00 73.54 O ATOM 416 CB GLU A 28 17.616 -10.744 1.908 1.00 73.41 C ATOM 417 CG GLU A 28 18.141 -12.099 2.352 1.00 5.02 C ATOM 418 CD GLU A 28 18.342 -12.183 3.853 1.00 64.11 C ATOM 419 OE1 GLU A 28 17.362 -12.482 4.566 1.00 33.22 O ATOM 420 OE2 GLU A 28 19.479 -11.950 4.314 1.00 41.11 O ATOM 0 H GLU A 28 16.774 -8.429 2.159 1.00 53.14 H new ATOM 0 HA GLU A 28 19.019 -9.811 3.242 1.00 70.25 H new ATOM 0 HB2 GLU A 28 16.628 -10.587 2.341 1.00 73.41 H new ATOM 0 HB3 GLU A 28 17.492 -10.749 0.825 1.00 73.41 H new ATOM 0 HG2 GLU A 28 17.443 -12.875 2.039 1.00 5.02 H new ATOM 0 HG3 GLU A 28 19.088 -12.300 1.851 1.00 5.02 H new ATOM 427 N SER A 29 19.185 -8.783 0.105 1.00 72.42 N ATOM 428 CA SER A 29 20.104 -8.529 -0.998 1.00 40.42 C ATOM 429 C SER A 29 21.328 -7.754 -0.518 1.00 34.22 C ATOM 430 O SER A 29 22.466 -8.155 -0.763 1.00 53.53 O ATOM 431 CB SER A 29 19.397 -7.750 -2.109 1.00 43.23 C ATOM 432 OG SER A 29 18.524 -8.589 -2.845 1.00 21.43 O ATOM 0 H SER A 29 18.227 -8.479 -0.066 1.00 72.42 H new ATOM 0 HA SER A 29 20.435 -9.490 -1.391 1.00 40.42 H new ATOM 0 HB2 SER A 29 18.833 -6.924 -1.676 1.00 43.23 H new ATOM 0 HB3 SER A 29 20.138 -7.313 -2.779 1.00 43.23 H new ATOM 0 HG SER A 29 17.655 -8.634 -2.394 1.00 21.43 H new ATOM 438 N PHE A 30 21.084 -6.642 0.168 1.00 24.54 N ATOM 439 CA PHE A 30 22.165 -5.810 0.683 1.00 4.12 C ATOM 440 C PHE A 30 23.025 -6.587 1.675 1.00 23.34 C ATOM 441 O PHE A 30 24.254 -6.555 1.607 1.00 11.32 O ATOM 442 CB PHE A 30 21.598 -4.558 1.355 1.00 53.33 C ATOM 443 CG PHE A 30 22.333 -3.299 0.994 1.00 0.43 C ATOM 444 CD1 PHE A 30 23.694 -3.325 0.737 1.00 24.23 C ATOM 445 CD2 PHE A 30 21.663 -2.089 0.912 1.00 0.31 C ATOM 446 CE1 PHE A 30 24.373 -2.168 0.406 1.00 4.14 C ATOM 447 CE2 PHE A 30 22.337 -0.928 0.581 1.00 32.01 C ATOM 448 CZ PHE A 30 23.694 -0.968 0.327 1.00 73.11 C ATOM 0 H PHE A 30 20.148 -6.297 0.380 1.00 24.54 H new ATOM 0 HA PHE A 30 22.791 -5.511 -0.158 1.00 4.12 H new ATOM 0 HB2 PHE A 30 20.550 -4.449 1.077 1.00 53.33 H new ATOM 0 HB3 PHE A 30 21.629 -4.690 2.437 1.00 53.33 H new ATOM 0 HD1 PHE A 30 24.231 -4.260 0.796 1.00 24.23 H new ATOM 0 HD2 PHE A 30 20.602 -2.052 1.109 1.00 0.31 H new ATOM 0 HE1 PHE A 30 25.434 -2.202 0.209 1.00 4.14 H new ATOM 0 HE2 PHE A 30 21.803 0.009 0.521 1.00 32.01 H new ATOM 0 HZ PHE A 30 24.223 -0.063 0.067 1.00 73.11 H new ATOM 458 N SER A 31 22.370 -7.285 2.597 1.00 30.43 N ATOM 459 CA SER A 31 23.073 -8.068 3.607 1.00 44.11 C ATOM 460 C SER A 31 24.039 -9.053 2.955 1.00 33.32 C ATOM 461 O SER A 31 25.189 -9.180 3.374 1.00 51.34 O ATOM 462 CB SER A 31 22.074 -8.822 4.486 1.00 12.42 C ATOM 463 OG SER A 31 22.660 -9.193 5.722 1.00 61.03 O ATOM 0 H SER A 31 21.353 -7.324 2.666 1.00 30.43 H new ATOM 0 HA SER A 31 23.646 -7.381 4.229 1.00 44.11 H new ATOM 0 HB2 SER A 31 21.200 -8.196 4.668 1.00 12.42 H new ATOM 0 HB3 SER A 31 21.725 -9.713 3.964 1.00 12.42 H new ATOM 0 HG SER A 31 22.000 -9.672 6.266 1.00 61.03 H new ATOM 469 N GLU A 32 23.561 -9.749 1.928 1.00 13.11 N ATOM 470 CA GLU A 32 24.381 -10.724 1.219 1.00 51.11 C ATOM 471 C GLU A 32 25.429 -10.028 0.356 1.00 45.20 C ATOM 472 O GLU A 32 26.579 -10.464 0.283 1.00 41.10 O ATOM 473 CB GLU A 32 23.503 -11.624 0.347 1.00 30.10 C ATOM 474 CG GLU A 32 24.233 -12.839 -0.202 1.00 14.41 C ATOM 475 CD GLU A 32 24.532 -13.872 0.867 1.00 43.40 C ATOM 476 OE1 GLU A 32 23.587 -14.555 1.313 1.00 55.24 O ATOM 477 OE2 GLU A 32 25.712 -13.997 1.258 1.00 55.40 O ATOM 0 H GLU A 32 22.611 -9.656 1.569 1.00 13.11 H new ATOM 0 HA GLU A 32 24.894 -11.337 1.960 1.00 51.11 H new ATOM 0 HB2 GLU A 32 22.647 -11.959 0.932 1.00 30.10 H new ATOM 0 HB3 GLU A 32 23.111 -11.039 -0.485 1.00 30.10 H new ATOM 0 HG2 GLU A 32 23.630 -13.297 -0.986 1.00 14.41 H new ATOM 0 HG3 GLU A 32 25.167 -12.519 -0.664 1.00 14.41 H new ATOM 484 N LEU A 33 25.025 -8.944 -0.297 1.00 11.34 N ATOM 485 CA LEU A 33 25.928 -8.186 -1.156 1.00 24.13 C ATOM 486 C LEU A 33 27.170 -7.746 -0.387 1.00 20.34 C ATOM 487 O LEU A 33 28.275 -7.728 -0.930 1.00 11.32 O ATOM 488 CB LEU A 33 25.211 -6.964 -1.731 1.00 42.41 C ATOM 489 CG LEU A 33 26.043 -6.069 -2.650 1.00 40.44 C ATOM 490 CD1 LEU A 33 26.854 -5.073 -1.835 1.00 55.34 C ATOM 491 CD2 LEU A 33 26.957 -6.910 -3.530 1.00 13.22 C ATOM 0 H LEU A 33 24.077 -8.570 -0.248 1.00 11.34 H new ATOM 0 HA LEU A 33 26.241 -8.834 -1.974 1.00 24.13 H new ATOM 0 HB2 LEU A 33 24.337 -7.308 -2.285 1.00 42.41 H new ATOM 0 HB3 LEU A 33 24.845 -6.359 -0.902 1.00 42.41 H new ATOM 0 HG LEU A 33 25.363 -5.512 -3.294 1.00 40.44 H new ATOM 0 HD11 LEU A 33 27.440 -4.445 -2.506 1.00 55.34 H new ATOM 0 HD12 LEU A 33 26.180 -4.448 -1.249 1.00 55.34 H new ATOM 0 HD13 LEU A 33 27.524 -5.611 -1.165 1.00 55.34 H new ATOM 0 HD21 LEU A 33 27.541 -6.256 -4.177 1.00 13.22 H new ATOM 0 HD22 LEU A 33 27.630 -7.494 -2.902 1.00 13.22 H new ATOM 0 HD23 LEU A 33 26.355 -7.582 -4.142 1.00 13.22 H new ATOM 503 N TYR A 34 26.981 -7.395 0.880 1.00 21.04 N ATOM 504 CA TYR A 34 28.086 -6.955 1.724 1.00 33.24 C ATOM 505 C TYR A 34 29.054 -8.102 1.996 1.00 31.53 C ATOM 506 O TYR A 34 30.259 -7.893 2.132 1.00 25.24 O ATOM 507 CB TYR A 34 27.555 -6.397 3.046 1.00 74.41 C ATOM 508 CG TYR A 34 28.640 -6.082 4.050 1.00 21.31 C ATOM 509 CD1 TYR A 34 29.696 -5.242 3.721 1.00 64.15 C ATOM 510 CD2 TYR A 34 28.609 -6.624 5.329 1.00 32.32 C ATOM 511 CE1 TYR A 34 30.691 -4.952 4.635 1.00 73.33 C ATOM 512 CE2 TYR A 34 29.598 -6.339 6.250 1.00 0.24 C ATOM 513 CZ TYR A 34 30.637 -5.503 5.898 1.00 10.32 C ATOM 514 OH TYR A 34 31.625 -5.215 6.812 1.00 32.32 O ATOM 0 H TYR A 34 26.073 -7.407 1.345 1.00 21.04 H new ATOM 0 HA TYR A 34 28.623 -6.168 1.194 1.00 33.24 H new ATOM 0 HB2 TYR A 34 26.984 -5.491 2.845 1.00 74.41 H new ATOM 0 HB3 TYR A 34 26.865 -7.118 3.484 1.00 74.41 H new ATOM 0 HD1 TYR A 34 29.740 -4.808 2.733 1.00 64.15 H new ATOM 0 HD2 TYR A 34 27.797 -7.280 5.608 1.00 32.32 H new ATOM 0 HE1 TYR A 34 31.506 -4.298 4.362 1.00 73.33 H new ATOM 0 HE2 TYR A 34 29.558 -6.768 7.240 1.00 0.24 H new ATOM 0 HH TYR A 34 31.406 -4.381 7.279 1.00 32.32 H new ATOM 524 N ASP A 35 28.517 -9.315 2.073 1.00 20.13 N ATOM 525 CA ASP A 35 29.332 -10.497 2.327 1.00 21.51 C ATOM 526 C ASP A 35 30.152 -10.867 1.095 1.00 72.02 C ATOM 527 O ASP A 35 31.241 -11.430 1.208 1.00 3.30 O ATOM 528 CB ASP A 35 28.447 -11.675 2.738 1.00 54.02 C ATOM 529 CG ASP A 35 28.789 -12.204 4.117 1.00 43.33 C ATOM 530 OD1 ASP A 35 28.302 -11.627 5.112 1.00 72.23 O ATOM 531 OD2 ASP A 35 29.544 -13.195 4.201 1.00 43.41 O ATOM 0 H ASP A 35 27.521 -9.505 1.963 1.00 20.13 H new ATOM 0 HA ASP A 35 30.018 -10.266 3.142 1.00 21.51 H new ATOM 0 HB2 ASP A 35 27.402 -11.364 2.720 1.00 54.02 H new ATOM 0 HB3 ASP A 35 28.553 -12.477 2.008 1.00 54.02 H new ATOM 536 N ILE A 36 29.620 -10.548 -0.081 1.00 4.05 N ATOM 537 CA ILE A 36 30.303 -10.847 -1.333 1.00 40.43 C ATOM 538 C ILE A 36 31.126 -9.654 -1.809 1.00 21.14 C ATOM 539 O ILE A 36 32.034 -9.801 -2.628 1.00 12.33 O ATOM 540 CB ILE A 36 29.305 -11.240 -2.438 1.00 60.42 C ATOM 541 CG1 ILE A 36 30.035 -11.436 -3.769 1.00 13.42 C ATOM 542 CG2 ILE A 36 28.220 -10.183 -2.573 1.00 52.22 C ATOM 543 CD1 ILE A 36 29.976 -10.225 -4.674 1.00 12.34 C ATOM 0 H ILE A 36 28.719 -10.083 -0.192 1.00 4.05 H new ATOM 0 HA ILE A 36 30.967 -11.689 -1.137 1.00 40.43 H new ATOM 0 HB ILE A 36 28.833 -12.183 -2.162 1.00 60.42 H new ATOM 0 HG12 ILE A 36 31.078 -11.680 -3.569 1.00 13.42 H new ATOM 0 HG13 ILE A 36 29.602 -12.290 -4.290 1.00 13.42 H new ATOM 0 HG21 ILE A 36 27.523 -10.476 -3.358 1.00 52.22 H new ATOM 0 HG22 ILE A 36 27.684 -10.089 -1.628 1.00 52.22 H new ATOM 0 HG23 ILE A 36 28.674 -9.226 -2.829 1.00 52.22 H new ATOM 0 HD11 ILE A 36 30.514 -10.435 -5.599 1.00 12.34 H new ATOM 0 HD12 ILE A 36 28.936 -9.993 -4.904 1.00 12.34 H new ATOM 0 HD13 ILE A 36 30.436 -9.373 -4.173 1.00 12.34 H new ATOM 555 N ILE A 37 30.804 -8.475 -1.288 1.00 51.23 N ATOM 556 CA ILE A 37 31.516 -7.257 -1.657 1.00 75.43 C ATOM 557 C ILE A 37 32.999 -7.364 -1.319 1.00 14.52 C ATOM 558 O ILE A 37 33.820 -6.606 -1.836 1.00 14.54 O ATOM 559 CB ILE A 37 30.926 -6.024 -0.949 1.00 13.22 C ATOM 560 CG1 ILE A 37 31.327 -4.745 -1.686 1.00 51.42 C ATOM 561 CG2 ILE A 37 31.388 -5.974 0.500 1.00 52.41 C ATOM 562 CD1 ILE A 37 30.621 -4.565 -3.012 1.00 10.42 C ATOM 0 H ILE A 37 30.055 -8.337 -0.609 1.00 51.23 H new ATOM 0 HA ILE A 37 31.400 -7.137 -2.734 1.00 75.43 H new ATOM 0 HB ILE A 37 29.839 -6.102 -0.961 1.00 13.22 H new ATOM 0 HG12 ILE A 37 31.112 -3.886 -1.050 1.00 51.42 H new ATOM 0 HG13 ILE A 37 32.404 -4.755 -1.855 1.00 51.42 H new ATOM 0 HG21 ILE A 37 30.963 -5.097 0.987 1.00 52.41 H new ATOM 0 HG22 ILE A 37 31.057 -6.874 1.019 1.00 52.41 H new ATOM 0 HG23 ILE A 37 32.476 -5.916 0.533 1.00 52.41 H new ATOM 0 HD11 ILE A 37 30.954 -3.638 -3.479 1.00 10.42 H new ATOM 0 HD12 ILE A 37 30.855 -5.405 -3.666 1.00 10.42 H new ATOM 0 HD13 ILE A 37 29.544 -4.522 -2.848 1.00 10.42 H new ATOM 574 N ASP A 38 33.335 -8.310 -0.449 1.00 51.22 N ATOM 575 CA ASP A 38 34.720 -8.518 -0.043 1.00 40.23 C ATOM 576 C ASP A 38 35.581 -8.922 -1.236 1.00 31.20 C ATOM 577 O ASP A 38 36.791 -8.700 -1.243 1.00 41.11 O ATOM 578 CB ASP A 38 34.799 -9.589 1.045 1.00 24.24 C ATOM 579 CG ASP A 38 36.198 -10.154 1.201 1.00 75.44 C ATOM 580 OD1 ASP A 38 37.077 -9.430 1.712 1.00 22.35 O ATOM 581 OD2 ASP A 38 36.412 -11.321 0.811 1.00 30.11 O ATOM 0 H ASP A 38 32.667 -8.945 -0.011 1.00 51.22 H new ATOM 0 HA ASP A 38 35.101 -7.578 0.355 1.00 40.23 H new ATOM 0 HB2 ASP A 38 34.474 -9.163 1.994 1.00 24.24 H new ATOM 0 HB3 ASP A 38 34.108 -10.398 0.806 1.00 24.24 H new ATOM 586 N GLU A 39 34.948 -9.518 -2.242 1.00 14.13 N ATOM 587 CA GLU A 39 35.657 -9.955 -3.438 1.00 50.24 C ATOM 588 C GLU A 39 35.928 -8.777 -4.371 1.00 33.43 C ATOM 589 O GLU A 39 35.448 -7.668 -4.142 1.00 32.00 O ATOM 590 CB GLU A 39 34.850 -11.027 -4.174 1.00 11.31 C ATOM 591 CG GLU A 39 35.097 -12.435 -3.659 1.00 15.33 C ATOM 592 CD GLU A 39 34.332 -12.732 -2.383 1.00 50.52 C ATOM 593 OE1 GLU A 39 33.085 -12.779 -2.436 1.00 24.35 O ATOM 594 OE2 GLU A 39 34.981 -12.916 -1.332 1.00 63.35 O ATOM 0 H GLU A 39 33.946 -9.709 -2.252 1.00 14.13 H new ATOM 0 HA GLU A 39 36.612 -10.379 -3.128 1.00 50.24 H new ATOM 0 HB2 GLU A 39 33.788 -10.797 -4.083 1.00 11.31 H new ATOM 0 HB3 GLU A 39 35.095 -10.989 -5.236 1.00 11.31 H new ATOM 0 HG2 GLU A 39 34.810 -13.154 -4.426 1.00 15.33 H new ATOM 0 HG3 GLU A 39 36.163 -12.570 -3.479 1.00 15.33 H new ATOM 601 N ASN A 40 36.701 -9.029 -5.422 1.00 51.52 N ATOM 602 CA ASN A 40 37.037 -7.990 -6.389 1.00 41.21 C ATOM 603 C ASN A 40 36.987 -8.535 -7.813 1.00 70.21 C ATOM 604 O ASN A 40 37.442 -7.885 -8.754 1.00 40.12 O ATOM 605 CB ASN A 40 38.428 -7.423 -6.097 1.00 11.21 C ATOM 606 CG ASN A 40 38.695 -6.131 -6.845 1.00 73.24 C ATOM 607 OD1 ASN A 40 38.096 -5.096 -6.553 1.00 75.32 O ATOM 608 ND2 ASN A 40 39.598 -6.187 -7.817 1.00 50.43 N ATOM 0 H ASN A 40 37.106 -9.943 -5.626 1.00 51.52 H new ATOM 0 HA ASN A 40 36.300 -7.192 -6.298 1.00 41.21 H new ATOM 0 HB2 ASN A 40 38.528 -7.247 -5.026 1.00 11.21 H new ATOM 0 HB3 ASN A 40 39.183 -8.160 -6.370 1.00 11.21 H new ATOM 0 HD21 ASN A 40 39.820 -5.350 -8.356 1.00 50.43 H new ATOM 0 HD22 ASN A 40 40.070 -7.067 -8.024 1.00 50.43 H new ATOM 615 N ASP A 41 36.431 -9.732 -7.963 1.00 35.12 N ATOM 616 CA ASP A 41 36.319 -10.365 -9.272 1.00 12.11 C ATOM 617 C ASP A 41 35.025 -9.953 -9.966 1.00 55.32 C ATOM 618 O ASP A 41 33.962 -9.904 -9.345 1.00 41.43 O ATOM 619 CB ASP A 41 36.375 -11.887 -9.133 1.00 20.03 C ATOM 620 CG ASP A 41 37.711 -12.459 -9.565 1.00 11.00 C ATOM 621 OD1 ASP A 41 38.728 -11.745 -9.446 1.00 1.23 O ATOM 622 OD2 ASP A 41 37.739 -13.621 -10.023 1.00 50.44 O ATOM 0 H ASP A 41 36.051 -10.284 -7.194 1.00 35.12 H new ATOM 0 HA ASP A 41 37.159 -10.032 -9.882 1.00 12.11 H new ATOM 0 HB2 ASP A 41 36.184 -12.161 -8.096 1.00 20.03 H new ATOM 0 HB3 ASP A 41 35.581 -12.333 -9.732 1.00 20.03 H new ATOM 627 N THR A 42 35.121 -9.656 -11.258 1.00 54.55 N ATOM 628 CA THR A 42 33.959 -9.245 -12.037 1.00 32.22 C ATOM 629 C THR A 42 33.021 -10.421 -12.286 1.00 14.44 C ATOM 630 O THR A 42 31.809 -10.244 -12.410 1.00 35.24 O ATOM 631 CB THR A 42 34.375 -8.640 -13.391 1.00 10.34 C ATOM 632 OG1 THR A 42 35.241 -9.544 -14.086 1.00 53.42 O ATOM 633 CG2 THR A 42 35.079 -7.306 -13.193 1.00 42.23 C ATOM 0 H THR A 42 35.992 -9.692 -11.788 1.00 54.55 H new ATOM 0 HA THR A 42 33.439 -8.486 -11.453 1.00 32.22 H new ATOM 0 HB THR A 42 33.475 -8.474 -13.982 1.00 10.34 H new ATOM 0 HG1 THR A 42 35.500 -9.153 -14.947 1.00 53.42 H new ATOM 0 HG21 THR A 42 35.364 -6.897 -14.163 1.00 42.23 H new ATOM 0 HG22 THR A 42 34.407 -6.611 -12.690 1.00 42.23 H new ATOM 0 HG23 THR A 42 35.972 -7.452 -12.585 1.00 42.23 H new ATOM 641 N ASP A 43 33.588 -11.620 -12.357 1.00 2.52 N ATOM 642 CA ASP A 43 32.801 -12.825 -12.589 1.00 65.31 C ATOM 643 C ASP A 43 31.873 -13.104 -11.411 1.00 52.53 C ATOM 644 O ASP A 43 30.688 -13.385 -11.594 1.00 63.00 O ATOM 645 CB ASP A 43 33.722 -14.024 -12.823 1.00 5.24 C ATOM 646 CG ASP A 43 34.657 -13.816 -13.998 1.00 55.35 C ATOM 647 OD1 ASP A 43 35.464 -12.864 -13.954 1.00 23.11 O ATOM 648 OD2 ASP A 43 34.580 -14.605 -14.963 1.00 24.00 O ATOM 0 H ASP A 43 34.590 -11.783 -12.257 1.00 2.52 H new ATOM 0 HA ASP A 43 32.192 -12.665 -13.478 1.00 65.31 H new ATOM 0 HB2 ASP A 43 34.309 -14.208 -11.923 1.00 5.24 H new ATOM 0 HB3 ASP A 43 33.117 -14.914 -12.997 1.00 5.24 H new ATOM 653 N VAL A 44 32.419 -13.024 -10.202 1.00 11.21 N ATOM 654 CA VAL A 44 31.640 -13.267 -8.994 1.00 12.02 C ATOM 655 C VAL A 44 30.625 -12.153 -8.761 1.00 31.40 C ATOM 656 O VAL A 44 29.497 -12.406 -8.338 1.00 62.31 O ATOM 657 CB VAL A 44 32.547 -13.386 -7.755 1.00 65.52 C ATOM 658 CG1 VAL A 44 33.392 -12.132 -7.589 1.00 20.41 C ATOM 659 CG2 VAL A 44 31.716 -13.648 -6.509 1.00 35.13 C ATOM 0 H VAL A 44 33.398 -12.793 -10.033 1.00 11.21 H new ATOM 0 HA VAL A 44 31.114 -14.210 -9.142 1.00 12.02 H new ATOM 0 HB VAL A 44 33.220 -14.232 -7.899 1.00 65.52 H new ATOM 0 HG11 VAL A 44 34.026 -12.235 -6.708 1.00 20.41 H new ATOM 0 HG12 VAL A 44 34.016 -11.994 -8.472 1.00 20.41 H new ATOM 0 HG13 VAL A 44 32.740 -11.267 -7.468 1.00 20.41 H new ATOM 0 HG21 VAL A 44 32.374 -13.729 -5.644 1.00 35.13 H new ATOM 0 HG22 VAL A 44 31.017 -12.825 -6.358 1.00 35.13 H new ATOM 0 HG23 VAL A 44 31.160 -14.578 -6.631 1.00 35.13 H new ATOM 669 N MET A 45 31.033 -10.920 -9.040 1.00 64.15 N ATOM 670 CA MET A 45 30.158 -9.767 -8.863 1.00 64.00 C ATOM 671 C MET A 45 29.045 -9.764 -9.906 1.00 1.32 C ATOM 672 O MET A 45 27.885 -9.505 -9.587 1.00 72.44 O ATOM 673 CB MET A 45 30.964 -8.470 -8.956 1.00 12.42 C ATOM 674 CG MET A 45 31.517 -8.001 -7.620 1.00 0.13 C ATOM 675 SD MET A 45 32.002 -6.264 -7.639 1.00 71.44 S ATOM 676 CE MET A 45 30.399 -5.465 -7.644 1.00 30.33 C ATOM 0 H MET A 45 31.964 -10.693 -9.390 1.00 64.15 H new ATOM 0 HA MET A 45 29.704 -9.834 -7.874 1.00 64.00 H new ATOM 0 HB2 MET A 45 31.791 -8.615 -9.651 1.00 12.42 H new ATOM 0 HB3 MET A 45 30.330 -7.687 -9.373 1.00 12.42 H new ATOM 0 HG2 MET A 45 30.765 -8.156 -6.846 1.00 0.13 H new ATOM 0 HG3 MET A 45 32.379 -8.612 -7.354 1.00 0.13 H new ATOM 0 HE1 MET A 45 30.265 -4.924 -8.581 1.00 30.33 H new ATOM 0 HE2 MET A 45 29.617 -6.218 -7.545 1.00 30.33 H new ATOM 0 HE3 MET A 45 30.338 -4.766 -6.809 1.00 30.33 H new ATOM 686 N MET A 46 29.407 -10.052 -11.152 1.00 13.02 N ATOM 687 CA MET A 46 28.437 -10.083 -12.241 1.00 1.23 C ATOM 688 C MET A 46 27.465 -11.246 -12.070 1.00 51.32 C ATOM 689 O MET A 46 26.279 -11.125 -12.377 1.00 73.40 O ATOM 690 CB MET A 46 29.154 -10.196 -13.587 1.00 41.55 C ATOM 691 CG MET A 46 29.672 -11.593 -13.885 1.00 71.41 C ATOM 692 SD MET A 46 30.439 -11.718 -15.512 1.00 74.23 S ATOM 693 CE MET A 46 31.842 -10.624 -15.310 1.00 63.20 C ATOM 0 H MET A 46 30.364 -10.267 -11.433 1.00 13.02 H new ATOM 0 HA MET A 46 27.870 -9.152 -12.216 1.00 1.23 H new ATOM 0 HB2 MET A 46 28.470 -9.894 -14.380 1.00 41.55 H new ATOM 0 HB3 MET A 46 29.990 -9.496 -13.604 1.00 41.55 H new ATOM 0 HG2 MET A 46 30.398 -11.877 -13.123 1.00 71.41 H new ATOM 0 HG3 MET A 46 28.848 -12.303 -13.821 1.00 71.41 H new ATOM 0 HE1 MET A 46 32.172 -10.271 -16.287 1.00 63.20 H new ATOM 0 HE2 MET A 46 31.553 -9.772 -14.695 1.00 63.20 H new ATOM 0 HE3 MET A 46 32.656 -11.162 -14.825 1.00 63.20 H new ATOM 703 N ASP A 47 27.975 -12.370 -11.580 1.00 33.12 N ATOM 704 CA ASP A 47 27.151 -13.555 -11.368 1.00 11.42 C ATOM 705 C ASP A 47 26.171 -13.337 -10.219 1.00 50.42 C ATOM 706 O ASP A 47 25.009 -13.735 -10.297 1.00 14.01 O ATOM 707 CB ASP A 47 28.033 -14.770 -11.079 1.00 32.35 C ATOM 708 CG ASP A 47 28.421 -15.517 -12.339 1.00 73.34 C ATOM 709 OD1 ASP A 47 27.517 -15.842 -13.138 1.00 23.54 O ATOM 710 OD2 ASP A 47 29.628 -15.777 -12.528 1.00 32.53 O ATOM 0 H ASP A 47 28.955 -12.486 -11.322 1.00 33.12 H new ATOM 0 HA ASP A 47 26.580 -13.738 -12.278 1.00 11.42 H new ATOM 0 HB2 ASP A 47 28.935 -14.445 -10.560 1.00 32.35 H new ATOM 0 HB3 ASP A 47 27.505 -15.447 -10.407 1.00 32.35 H new ATOM 715 N PHE A 48 26.648 -12.703 -9.153 1.00 43.53 N ATOM 716 CA PHE A 48 25.815 -12.433 -7.987 1.00 61.32 C ATOM 717 C PHE A 48 24.799 -11.335 -8.287 1.00 32.23 C ATOM 718 O PHE A 48 23.621 -11.457 -7.950 1.00 13.44 O ATOM 719 CB PHE A 48 26.685 -12.028 -6.795 1.00 54.23 C ATOM 720 CG PHE A 48 25.896 -11.517 -5.624 1.00 15.02 C ATOM 721 CD1 PHE A 48 25.564 -10.175 -5.527 1.00 61.20 C ATOM 722 CD2 PHE A 48 25.486 -12.379 -4.619 1.00 53.31 C ATOM 723 CE1 PHE A 48 24.838 -9.702 -4.450 1.00 53.15 C ATOM 724 CE2 PHE A 48 24.759 -11.911 -3.541 1.00 32.24 C ATOM 725 CZ PHE A 48 24.435 -10.571 -3.455 1.00 64.15 C ATOM 0 H PHE A 48 27.608 -12.366 -9.073 1.00 43.53 H new ATOM 0 HA PHE A 48 25.274 -13.346 -7.739 1.00 61.32 H new ATOM 0 HB2 PHE A 48 27.276 -12.887 -6.478 1.00 54.23 H new ATOM 0 HB3 PHE A 48 27.388 -11.258 -7.113 1.00 54.23 H new ATOM 0 HD1 PHE A 48 25.876 -9.491 -6.302 1.00 61.20 H new ATOM 0 HD2 PHE A 48 25.737 -13.428 -4.679 1.00 53.31 H new ATOM 0 HE1 PHE A 48 24.586 -8.654 -4.387 1.00 53.15 H new ATOM 0 HE2 PHE A 48 24.444 -12.593 -2.765 1.00 32.24 H new ATOM 0 HZ PHE A 48 23.868 -10.204 -2.612 1.00 64.15 H new ATOM 735 N ILE A 49 25.264 -10.264 -8.921 1.00 72.30 N ATOM 736 CA ILE A 49 24.396 -9.145 -9.266 1.00 62.14 C ATOM 737 C ILE A 49 23.291 -9.581 -10.223 1.00 2.23 C ATOM 738 O ILE A 49 22.115 -9.296 -9.999 1.00 53.23 O ATOM 739 CB ILE A 49 25.192 -7.994 -9.909 1.00 53.35 C ATOM 740 CG1 ILE A 49 25.610 -6.977 -8.845 1.00 64.32 C ATOM 741 CG2 ILE A 49 24.366 -7.321 -10.996 1.00 33.31 C ATOM 742 CD1 ILE A 49 26.680 -7.491 -7.907 1.00 1.20 C ATOM 0 H ILE A 49 26.236 -10.148 -9.206 1.00 72.30 H new ATOM 0 HA ILE A 49 23.950 -8.793 -8.336 1.00 62.14 H new ATOM 0 HB ILE A 49 26.092 -8.406 -10.365 1.00 53.35 H new ATOM 0 HG12 ILE A 49 25.973 -6.075 -9.338 1.00 64.32 H new ATOM 0 HG13 ILE A 49 24.734 -6.691 -8.263 1.00 64.32 H new ATOM 0 HG21 ILE A 49 24.942 -6.510 -11.441 1.00 33.31 H new ATOM 0 HG22 ILE A 49 24.113 -8.051 -11.765 1.00 33.31 H new ATOM 0 HG23 ILE A 49 23.450 -6.920 -10.561 1.00 33.31 H new ATOM 0 HD11 ILE A 49 26.928 -6.718 -7.179 1.00 1.20 H new ATOM 0 HD12 ILE A 49 26.313 -8.376 -7.386 1.00 1.20 H new ATOM 0 HD13 ILE A 49 27.571 -7.750 -8.479 1.00 1.20 H new ATOM 754 N SER A 50 23.678 -10.275 -11.288 1.00 71.02 N ATOM 755 CA SER A 50 22.720 -10.749 -12.280 1.00 63.24 C ATOM 756 C SER A 50 21.767 -11.773 -11.670 1.00 45.41 C ATOM 757 O SER A 50 20.576 -11.791 -11.981 1.00 4.30 O ATOM 758 CB SER A 50 23.453 -11.366 -13.474 1.00 0.35 C ATOM 759 OG SER A 50 22.606 -11.444 -14.607 1.00 62.20 O ATOM 0 H SER A 50 24.648 -10.522 -11.486 1.00 71.02 H new ATOM 0 HA SER A 50 22.137 -9.894 -12.622 1.00 63.24 H new ATOM 0 HB2 SER A 50 24.332 -10.768 -13.714 1.00 0.35 H new ATOM 0 HB3 SER A 50 23.807 -12.363 -13.212 1.00 0.35 H new ATOM 0 HG SER A 50 23.098 -11.840 -15.356 1.00 62.20 H new ATOM 765 N ARG A 51 22.301 -12.623 -10.800 1.00 24.32 N ATOM 766 CA ARG A 51 21.500 -13.651 -10.146 1.00 61.01 C ATOM 767 C ARG A 51 20.525 -13.029 -9.151 1.00 23.05 C ATOM 768 O ARG A 51 19.382 -13.470 -9.027 1.00 4.24 O ATOM 769 CB ARG A 51 22.405 -14.655 -9.430 1.00 64.24 C ATOM 770 CG ARG A 51 21.646 -15.781 -8.748 1.00 61.30 C ATOM 771 CD ARG A 51 22.487 -17.045 -8.657 1.00 0.14 C ATOM 772 NE ARG A 51 22.735 -17.634 -9.970 1.00 51.40 N ATOM 773 CZ ARG A 51 23.166 -18.877 -10.148 1.00 61.34 C ATOM 774 NH1 ARG A 51 23.396 -19.659 -9.103 1.00 35.34 N ATOM 775 NH2 ARG A 51 23.368 -19.341 -11.375 1.00 62.20 N ATOM 0 H ARG A 51 23.285 -12.620 -10.531 1.00 24.32 H new ATOM 0 HA ARG A 51 20.927 -14.172 -10.913 1.00 61.01 H new ATOM 0 HB2 ARG A 51 23.101 -15.083 -10.152 1.00 64.24 H new ATOM 0 HB3 ARG A 51 23.001 -14.127 -8.686 1.00 64.24 H new ATOM 0 HG2 ARG A 51 21.349 -15.467 -7.747 1.00 61.30 H new ATOM 0 HG3 ARG A 51 20.730 -15.991 -9.301 1.00 61.30 H new ATOM 0 HD2 ARG A 51 23.438 -16.813 -8.178 1.00 0.14 H new ATOM 0 HD3 ARG A 51 21.980 -17.773 -8.023 1.00 0.14 H new ATOM 0 HE ARG A 51 22.568 -17.059 -10.796 1.00 51.40 H new ATOM 0 HH11 ARG A 51 23.242 -19.306 -8.158 1.00 35.34 H new ATOM 0 HH12 ARG A 51 23.727 -20.614 -9.243 1.00 35.34 H new ATOM 0 HH21 ARG A 51 23.192 -18.742 -12.182 1.00 62.20 H new ATOM 0 HH22 ARG A 51 23.699 -20.296 -11.511 1.00 62.20 H new ATOM 789 N PHE A 52 20.985 -12.003 -8.443 1.00 2.35 N ATOM 790 CA PHE A 52 20.155 -11.321 -7.457 1.00 12.14 C ATOM 791 C PHE A 52 19.224 -10.317 -8.130 1.00 72.14 C ATOM 792 O PHE A 52 18.213 -9.911 -7.558 1.00 40.11 O ATOM 793 CB PHE A 52 21.032 -10.608 -6.426 1.00 10.45 C ATOM 794 CG PHE A 52 21.300 -11.428 -5.196 1.00 55.11 C ATOM 795 CD1 PHE A 52 21.630 -12.770 -5.301 1.00 14.53 C ATOM 796 CD2 PHE A 52 21.221 -10.857 -3.936 1.00 25.31 C ATOM 797 CE1 PHE A 52 21.876 -13.527 -4.171 1.00 15.41 C ATOM 798 CE2 PHE A 52 21.467 -11.609 -2.802 1.00 73.44 C ATOM 799 CZ PHE A 52 21.795 -12.946 -2.920 1.00 42.43 C ATOM 0 H PHE A 52 21.928 -11.625 -8.534 1.00 2.35 H new ATOM 0 HA PHE A 52 19.547 -12.071 -6.951 1.00 12.14 H new ATOM 0 HB2 PHE A 52 21.982 -10.343 -6.890 1.00 10.45 H new ATOM 0 HB3 PHE A 52 20.549 -9.676 -6.133 1.00 10.45 H new ATOM 0 HD1 PHE A 52 21.696 -13.229 -6.276 1.00 14.53 H new ATOM 0 HD2 PHE A 52 20.964 -9.812 -3.838 1.00 25.31 H new ATOM 0 HE1 PHE A 52 22.131 -14.572 -4.266 1.00 15.41 H new ATOM 0 HE2 PHE A 52 21.403 -11.152 -1.826 1.00 73.44 H new ATOM 0 HZ PHE A 52 21.988 -13.536 -2.036 1.00 42.43 H new ATOM 809 N ALA A 53 19.573 -9.921 -9.350 1.00 24.21 N ATOM 810 CA ALA A 53 18.770 -8.967 -10.103 1.00 15.51 C ATOM 811 C ALA A 53 17.995 -9.660 -11.218 1.00 73.41 C ATOM 812 O ALA A 53 18.239 -10.828 -11.523 1.00 44.45 O ATOM 813 CB ALA A 53 19.653 -7.868 -10.676 1.00 23.42 C ATOM 0 H ALA A 53 20.407 -10.247 -9.838 1.00 24.21 H new ATOM 0 HA ALA A 53 18.049 -8.519 -9.419 1.00 15.51 H new ATOM 0 HB1 ALA A 53 19.039 -7.163 -11.236 1.00 23.42 H new ATOM 0 HB2 ALA A 53 20.157 -7.345 -9.863 1.00 23.42 H new ATOM 0 HB3 ALA A 53 20.397 -8.308 -11.340 1.00 23.42 H new ATOM 819 N ARG A 54 17.059 -8.935 -11.822 1.00 61.11 N ATOM 820 CA ARG A 54 16.247 -9.482 -12.902 1.00 60.22 C ATOM 821 C ARG A 54 15.589 -8.365 -13.707 1.00 33.31 C ATOM 822 O ARG A 54 14.543 -8.564 -14.326 1.00 61.15 O ATOM 823 CB ARG A 54 15.177 -10.419 -12.340 1.00 34.22 C ATOM 824 CG ARG A 54 14.833 -11.576 -13.264 1.00 23.10 C ATOM 825 CD ARG A 54 13.484 -12.186 -12.916 1.00 4.20 C ATOM 826 NE ARG A 54 12.981 -13.046 -13.983 1.00 53.25 N ATOM 827 CZ ARG A 54 13.468 -14.253 -14.246 1.00 61.31 C ATOM 828 NH1 ARG A 54 14.466 -14.741 -13.522 1.00 42.23 N ATOM 829 NH2 ARG A 54 12.957 -14.976 -15.234 1.00 55.04 N ATOM 0 H ARG A 54 16.844 -7.967 -11.582 1.00 61.11 H new ATOM 0 HA ARG A 54 16.902 -10.047 -13.565 1.00 60.22 H new ATOM 0 HB2 ARG A 54 15.520 -10.817 -11.385 1.00 34.22 H new ATOM 0 HB3 ARG A 54 14.273 -9.845 -12.139 1.00 34.22 H new ATOM 0 HG2 ARG A 54 14.820 -11.227 -14.296 1.00 23.10 H new ATOM 0 HG3 ARG A 54 15.607 -12.340 -13.196 1.00 23.10 H new ATOM 0 HD2 ARG A 54 13.574 -12.764 -11.996 1.00 4.20 H new ATOM 0 HD3 ARG A 54 12.765 -11.390 -12.723 1.00 4.20 H new ATOM 0 HE ARG A 54 12.213 -12.701 -14.558 1.00 53.25 H new ATOM 0 HH11 ARG A 54 14.861 -14.189 -12.761 1.00 42.23 H new ATOM 0 HH12 ARG A 54 14.838 -15.668 -13.726 1.00 42.23 H new ATOM 0 HH21 ARG A 54 12.189 -14.605 -15.793 1.00 55.04 H new ATOM 0 HH22 ARG A 54 13.332 -15.903 -15.435 1.00 55.04 H new ATOM 843 N THR A 55 16.208 -7.189 -13.693 1.00 13.32 N ATOM 844 CA THR A 55 15.682 -6.040 -14.419 1.00 52.30 C ATOM 845 C THR A 55 14.187 -5.870 -14.172 1.00 61.41 C ATOM 846 O THR A 55 13.361 -6.372 -14.935 1.00 24.41 O ATOM 847 CB THR A 55 15.929 -6.172 -15.934 1.00 14.53 C ATOM 848 OG1 THR A 55 15.693 -7.520 -16.353 1.00 23.41 O ATOM 849 CG2 THR A 55 17.352 -5.766 -16.287 1.00 74.24 C ATOM 0 H THR A 55 17.075 -7.007 -13.187 1.00 13.32 H new ATOM 0 HA THR A 55 16.211 -5.162 -14.047 1.00 52.30 H new ATOM 0 HB THR A 55 15.239 -5.506 -16.452 1.00 14.53 H new ATOM 0 HG1 THR A 55 14.856 -7.843 -15.959 1.00 23.41 H new ATOM 0 HG21 THR A 55 17.503 -5.867 -17.362 1.00 74.24 H new ATOM 0 HG22 THR A 55 17.518 -4.730 -15.993 1.00 74.24 H new ATOM 0 HG23 THR A 55 18.056 -6.410 -15.759 1.00 74.24 H new ATOM 857 N ASP A 56 13.846 -5.160 -13.103 1.00 12.02 N ATOM 858 CA ASP A 56 12.449 -4.923 -12.756 1.00 42.33 C ATOM 859 C ASP A 56 12.108 -3.439 -12.859 1.00 23.31 C ATOM 860 O ASP A 56 12.980 -2.609 -13.115 1.00 73.33 O ATOM 861 CB ASP A 56 12.159 -5.429 -11.342 1.00 42.15 C ATOM 862 CG ASP A 56 12.602 -6.865 -11.139 1.00 54.34 C ATOM 863 OD1 ASP A 56 13.785 -7.079 -10.801 1.00 35.23 O ATOM 864 OD2 ASP A 56 11.765 -7.774 -11.318 1.00 54.23 O ATOM 0 H ASP A 56 14.517 -4.738 -12.461 1.00 12.02 H new ATOM 0 HA ASP A 56 11.827 -5.471 -13.464 1.00 42.33 H new ATOM 0 HB2 ASP A 56 12.666 -4.790 -10.619 1.00 42.15 H new ATOM 0 HB3 ASP A 56 11.090 -5.350 -11.143 1.00 42.15 H new ATOM 869 N GLU A 57 10.835 -3.115 -12.658 1.00 10.43 N ATOM 870 CA GLU A 57 10.380 -1.731 -12.730 1.00 34.23 C ATOM 871 C GLU A 57 9.365 -1.435 -11.630 1.00 15.54 C ATOM 872 O GLU A 57 8.950 -2.332 -10.895 1.00 2.52 O ATOM 873 CB GLU A 57 9.761 -1.445 -14.100 1.00 25.11 C ATOM 874 CG GLU A 57 8.382 -2.054 -14.284 1.00 71.44 C ATOM 875 CD GLU A 57 7.879 -1.939 -15.710 1.00 40.13 C ATOM 876 OE1 GLU A 57 8.000 -0.841 -16.294 1.00 71.52 O ATOM 877 OE2 GLU A 57 7.365 -2.945 -16.242 1.00 52.20 O ATOM 0 H GLU A 57 10.101 -3.790 -12.444 1.00 10.43 H new ATOM 0 HA GLU A 57 11.245 -1.083 -12.587 1.00 34.23 H new ATOM 0 HB2 GLU A 57 9.694 -0.366 -14.241 1.00 25.11 H new ATOM 0 HB3 GLU A 57 10.424 -1.827 -14.876 1.00 25.11 H new ATOM 0 HG2 GLU A 57 8.412 -3.105 -13.997 1.00 71.44 H new ATOM 0 HG3 GLU A 57 7.678 -1.560 -13.614 1.00 71.44 H new ATOM 884 N ILE A 58 8.969 -0.170 -11.523 1.00 23.53 N ATOM 885 CA ILE A 58 8.003 0.244 -10.513 1.00 40.54 C ATOM 886 C ILE A 58 6.672 0.627 -11.151 1.00 73.43 C ATOM 887 O ILE A 58 6.632 1.371 -12.131 1.00 21.25 O ATOM 888 CB ILE A 58 8.526 1.436 -9.690 1.00 52.40 C ATOM 889 CG1 ILE A 58 9.509 2.265 -10.519 1.00 54.44 C ATOM 890 CG2 ILE A 58 9.186 0.947 -8.410 1.00 21.21 C ATOM 891 CD1 ILE A 58 8.867 2.962 -11.699 1.00 74.40 C ATOM 0 H ILE A 58 9.302 0.585 -12.123 1.00 23.53 H new ATOM 0 HA ILE A 58 7.854 -0.608 -9.850 1.00 40.54 H new ATOM 0 HB ILE A 58 7.682 2.071 -9.421 1.00 52.40 H new ATOM 0 HG12 ILE A 58 9.975 3.012 -9.876 1.00 54.44 H new ATOM 0 HG13 ILE A 58 10.305 1.615 -10.881 1.00 54.44 H new ATOM 0 HG21 ILE A 58 9.550 1.801 -7.839 1.00 21.21 H new ATOM 0 HG22 ILE A 58 8.459 0.396 -7.814 1.00 21.21 H new ATOM 0 HG23 ILE A 58 10.022 0.293 -8.659 1.00 21.21 H new ATOM 0 HD11 ILE A 58 9.623 3.531 -12.241 1.00 74.40 H new ATOM 0 HD12 ILE A 58 8.425 2.220 -12.364 1.00 74.40 H new ATOM 0 HD13 ILE A 58 8.090 3.638 -11.343 1.00 74.40 H new ATOM 903 N MET A 59 5.583 0.113 -10.588 1.00 10.21 N ATOM 904 CA MET A 59 4.249 0.403 -11.100 1.00 53.30 C ATOM 905 C MET A 59 3.804 1.805 -10.695 1.00 33.14 C ATOM 906 O MET A 59 4.354 2.416 -9.778 1.00 35.21 O ATOM 907 CB MET A 59 3.246 -0.631 -10.586 1.00 72.53 C ATOM 908 CG MET A 59 2.814 -1.636 -11.643 1.00 1.25 C ATOM 909 SD MET A 59 1.068 -2.067 -11.518 1.00 53.25 S ATOM 910 CE MET A 59 1.174 -3.830 -11.224 1.00 63.41 C ATOM 0 H MET A 59 5.598 -0.506 -9.778 1.00 10.21 H new ATOM 0 HA MET A 59 4.286 0.353 -12.188 1.00 53.30 H new ATOM 0 HB2 MET A 59 3.687 -1.167 -9.746 1.00 72.53 H new ATOM 0 HB3 MET A 59 2.365 -0.113 -10.207 1.00 72.53 H new ATOM 0 HG2 MET A 59 3.013 -1.225 -12.633 1.00 1.25 H new ATOM 0 HG3 MET A 59 3.415 -2.540 -11.547 1.00 1.25 H new ATOM 0 HE1 MET A 59 0.170 -4.243 -11.124 1.00 63.41 H new ATOM 0 HE2 MET A 59 1.682 -4.309 -12.061 1.00 63.41 H new ATOM 0 HE3 MET A 59 1.734 -4.013 -10.307 1.00 63.41 H new ATOM 920 N PRO A 60 2.785 2.328 -11.392 1.00 54.22 N ATOM 921 CA PRO A 60 2.244 3.664 -11.122 1.00 35.40 C ATOM 922 C PRO A 60 1.497 3.729 -9.794 1.00 75.32 C ATOM 923 O PRO A 60 1.301 4.807 -9.235 1.00 34.12 O ATOM 924 CB PRO A 60 1.281 3.899 -12.289 1.00 4.20 C ATOM 925 CG PRO A 60 0.884 2.534 -12.734 1.00 14.15 C ATOM 926 CD PRO A 60 2.082 1.656 -12.498 1.00 54.40 C ATOM 0 HA PRO A 60 3.031 4.414 -11.043 1.00 35.40 H new ATOM 0 HB2 PRO A 60 0.414 4.481 -11.976 1.00 4.20 H new ATOM 0 HB3 PRO A 60 1.763 4.453 -13.094 1.00 4.20 H new ATOM 0 HG2 PRO A 60 0.021 2.176 -12.172 1.00 14.15 H new ATOM 0 HG3 PRO A 60 0.601 2.534 -13.787 1.00 14.15 H new ATOM 0 HD2 PRO A 60 1.790 0.641 -12.230 1.00 54.40 H new ATOM 0 HD3 PRO A 60 2.708 1.583 -13.387 1.00 54.40 H new ATOM 934 N GLU A 61 1.083 2.568 -9.296 1.00 34.13 N ATOM 935 CA GLU A 61 0.357 2.495 -8.033 1.00 73.11 C ATOM 936 C GLU A 61 1.322 2.479 -6.851 1.00 14.40 C ATOM 937 O GLU A 61 0.934 2.756 -5.716 1.00 35.43 O ATOM 938 CB GLU A 61 -0.528 1.247 -8.000 1.00 14.24 C ATOM 939 CG GLU A 61 0.245 -0.042 -7.777 1.00 52.22 C ATOM 940 CD GLU A 61 -0.634 -1.274 -7.875 1.00 40.44 C ATOM 941 OE1 GLU A 61 -1.741 -1.259 -7.297 1.00 61.51 O ATOM 942 OE2 GLU A 61 -0.215 -2.251 -8.530 1.00 33.12 O ATOM 0 H GLU A 61 1.238 1.666 -9.747 1.00 34.13 H new ATOM 0 HA GLU A 61 -0.273 3.381 -7.953 1.00 73.11 H new ATOM 0 HB2 GLU A 61 -1.269 1.358 -7.208 1.00 14.24 H new ATOM 0 HB3 GLU A 61 -1.075 1.175 -8.940 1.00 14.24 H new ATOM 0 HG2 GLU A 61 1.046 -0.113 -8.513 1.00 52.22 H new ATOM 0 HG3 GLU A 61 0.716 -0.013 -6.794 1.00 52.22 H new ATOM 949 N ASP A 62 2.580 2.154 -7.126 1.00 53.02 N ATOM 950 CA ASP A 62 3.601 2.103 -6.087 1.00 21.54 C ATOM 951 C ASP A 62 4.748 3.057 -6.404 1.00 63.42 C ATOM 952 O ASP A 62 4.644 3.893 -7.301 1.00 42.43 O ATOM 953 CB ASP A 62 4.134 0.677 -5.936 1.00 20.24 C ATOM 954 CG ASP A 62 3.147 -0.365 -6.424 1.00 40.04 C ATOM 955 OD1 ASP A 62 3.088 -0.597 -7.650 1.00 24.12 O ATOM 956 OD2 ASP A 62 2.433 -0.948 -5.582 1.00 14.45 O ATOM 0 H ASP A 62 2.917 1.922 -8.060 1.00 53.02 H new ATOM 0 HA ASP A 62 3.144 2.413 -5.147 1.00 21.54 H new ATOM 0 HB2 ASP A 62 5.066 0.580 -6.493 1.00 20.24 H new ATOM 0 HB3 ASP A 62 4.368 0.489 -4.888 1.00 20.24 H new ATOM 961 N LYS A 63 5.842 2.926 -5.662 1.00 25.12 N ATOM 962 CA LYS A 63 7.010 3.775 -5.863 1.00 43.41 C ATOM 963 C LYS A 63 8.264 3.120 -5.293 1.00 44.34 C ATOM 964 O LYS A 63 8.224 1.984 -4.820 1.00 0.24 O ATOM 965 CB LYS A 63 6.792 5.141 -5.207 1.00 64.21 C ATOM 966 CG LYS A 63 5.973 5.078 -3.930 1.00 2.13 C ATOM 967 CD LYS A 63 6.275 6.254 -3.016 1.00 34.03 C ATOM 968 CE LYS A 63 5.548 7.512 -3.468 1.00 23.34 C ATOM 969 NZ LYS A 63 5.518 8.549 -2.399 1.00 70.24 N ATOM 0 H LYS A 63 5.944 2.239 -4.915 1.00 25.12 H new ATOM 0 HA LYS A 63 7.149 3.911 -6.936 1.00 43.41 H new ATOM 0 HB2 LYS A 63 7.761 5.587 -4.985 1.00 64.21 H new ATOM 0 HB3 LYS A 63 6.293 5.800 -5.917 1.00 64.21 H new ATOM 0 HG2 LYS A 63 4.911 5.071 -4.177 1.00 2.13 H new ATOM 0 HG3 LYS A 63 6.184 4.145 -3.407 1.00 2.13 H new ATOM 0 HD2 LYS A 63 5.980 6.009 -1.996 1.00 34.03 H new ATOM 0 HD3 LYS A 63 7.349 6.439 -3.001 1.00 34.03 H new ATOM 0 HE2 LYS A 63 6.039 7.917 -4.353 1.00 23.34 H new ATOM 0 HE3 LYS A 63 4.528 7.258 -3.757 1.00 23.34 H new ATOM 0 HZ1 LYS A 63 5.014 9.390 -2.746 1.00 70.24 H new ATOM 0 HZ2 LYS A 63 5.028 8.172 -1.563 1.00 70.24 H new ATOM 0 HZ3 LYS A 63 6.491 8.810 -2.141 1.00 70.24 H new ATOM 983 N THR A 64 9.379 3.844 -5.341 1.00 54.10 N ATOM 984 CA THR A 64 10.644 3.333 -4.830 1.00 2.55 C ATOM 985 C THR A 64 11.031 4.026 -3.528 1.00 12.21 C ATOM 986 O THR A 64 11.046 5.255 -3.447 1.00 73.42 O ATOM 987 CB THR A 64 11.780 3.519 -5.854 1.00 12.05 C ATOM 988 OG1 THR A 64 12.105 2.262 -6.458 1.00 13.20 O ATOM 989 CG2 THR A 64 13.017 4.103 -5.189 1.00 65.11 C ATOM 0 H THR A 64 9.430 4.786 -5.729 1.00 54.10 H new ATOM 0 HA THR A 64 10.503 2.268 -4.644 1.00 2.55 H new ATOM 0 HB THR A 64 11.438 4.213 -6.622 1.00 12.05 H new ATOM 0 HG1 THR A 64 12.827 2.389 -7.109 1.00 13.20 H new ATOM 0 HG21 THR A 64 13.806 4.225 -5.931 1.00 65.11 H new ATOM 0 HG22 THR A 64 12.773 5.073 -4.755 1.00 65.11 H new ATOM 0 HG23 THR A 64 13.360 3.430 -4.403 1.00 65.11 H new ATOM 997 N VAL A 65 11.344 3.231 -2.510 1.00 20.21 N ATOM 998 CA VAL A 65 11.733 3.768 -1.211 1.00 51.15 C ATOM 999 C VAL A 65 12.930 4.704 -1.340 1.00 35.10 C ATOM 1000 O VAL A 65 12.963 5.773 -0.732 1.00 21.10 O ATOM 1001 CB VAL A 65 12.080 2.642 -0.219 1.00 51.23 C ATOM 1002 CG1 VAL A 65 11.334 2.837 1.092 1.00 50.21 C ATOM 1003 CG2 VAL A 65 11.764 1.283 -0.825 1.00 20.11 C ATOM 0 H VAL A 65 11.336 2.212 -2.560 1.00 20.21 H new ATOM 0 HA VAL A 65 10.878 4.326 -0.830 1.00 51.15 H new ATOM 0 HB VAL A 65 13.149 2.682 -0.010 1.00 51.23 H new ATOM 0 HG11 VAL A 65 11.592 2.032 1.780 1.00 50.21 H new ATOM 0 HG12 VAL A 65 11.615 3.794 1.531 1.00 50.21 H new ATOM 0 HG13 VAL A 65 10.260 2.825 0.905 1.00 50.21 H new ATOM 0 HG21 VAL A 65 12.015 0.499 -0.111 1.00 20.11 H new ATOM 0 HG22 VAL A 65 10.702 1.229 -1.064 1.00 20.11 H new ATOM 0 HG23 VAL A 65 12.348 1.146 -1.735 1.00 20.11 H new ATOM 1013 N GLY A 66 13.912 4.294 -2.137 1.00 53.01 N ATOM 1014 CA GLY A 66 15.098 5.108 -2.332 1.00 34.43 C ATOM 1015 C GLY A 66 16.215 4.349 -3.020 1.00 30.35 C ATOM 1016 O GLY A 66 16.051 3.185 -3.385 1.00 61.44 O ATOM 0 H GLY A 66 13.908 3.413 -2.651 1.00 53.01 H new ATOM 0 HA2 GLY A 66 14.840 5.985 -2.925 1.00 34.43 H new ATOM 0 HA3 GLY A 66 15.450 5.469 -1.366 1.00 34.43 H new ATOM 1020 N PHE A 67 17.354 5.009 -3.198 1.00 3.12 N ATOM 1021 CA PHE A 67 18.503 4.390 -3.849 1.00 52.11 C ATOM 1022 C PHE A 67 19.760 4.545 -2.998 1.00 52.50 C ATOM 1023 O PHE A 67 19.926 5.541 -2.293 1.00 25.43 O ATOM 1024 CB PHE A 67 18.728 5.010 -5.230 1.00 23.12 C ATOM 1025 CG PHE A 67 18.842 6.507 -5.203 1.00 45.32 C ATOM 1026 CD1 PHE A 67 17.710 7.303 -5.265 1.00 71.11 C ATOM 1027 CD2 PHE A 67 20.083 7.119 -5.117 1.00 54.20 C ATOM 1028 CE1 PHE A 67 17.811 8.681 -5.240 1.00 43.25 C ATOM 1029 CE2 PHE A 67 20.190 8.497 -5.092 1.00 23.14 C ATOM 1030 CZ PHE A 67 19.053 9.279 -5.155 1.00 24.23 C ATOM 0 H PHE A 67 17.506 5.973 -2.901 1.00 3.12 H new ATOM 0 HA PHE A 67 18.294 3.327 -3.965 1.00 52.11 H new ATOM 0 HB2 PHE A 67 19.637 4.592 -5.663 1.00 23.12 H new ATOM 0 HB3 PHE A 67 17.904 4.728 -5.885 1.00 23.12 H new ATOM 0 HD1 PHE A 67 16.736 6.841 -5.334 1.00 71.11 H new ATOM 0 HD2 PHE A 67 20.976 6.513 -5.069 1.00 54.20 H new ATOM 0 HE1 PHE A 67 16.920 9.289 -5.287 1.00 43.25 H new ATOM 0 HE2 PHE A 67 21.162 8.962 -5.023 1.00 23.14 H new ATOM 0 HZ PHE A 67 19.135 10.356 -5.138 1.00 24.23 H new ATOM 1040 N VAL A 68 20.642 3.554 -3.069 1.00 72.43 N ATOM 1041 CA VAL A 68 21.884 3.579 -2.307 1.00 2.05 C ATOM 1042 C VAL A 68 23.097 3.584 -3.231 1.00 15.31 C ATOM 1043 O VAL A 68 23.185 2.782 -4.161 1.00 2.51 O ATOM 1044 CB VAL A 68 21.983 2.372 -1.355 1.00 2.23 C ATOM 1045 CG1 VAL A 68 23.386 2.261 -0.777 1.00 61.15 C ATOM 1046 CG2 VAL A 68 20.948 2.483 -0.245 1.00 65.12 C ATOM 0 H VAL A 68 20.519 2.723 -3.647 1.00 72.43 H new ATOM 0 HA VAL A 68 21.875 4.497 -1.719 1.00 2.05 H new ATOM 0 HB VAL A 68 21.777 1.465 -1.924 1.00 2.23 H new ATOM 0 HG11 VAL A 68 23.437 1.403 -0.107 1.00 61.15 H new ATOM 0 HG12 VAL A 68 24.104 2.132 -1.587 1.00 61.15 H new ATOM 0 HG13 VAL A 68 23.624 3.169 -0.222 1.00 61.15 H new ATOM 0 HG21 VAL A 68 21.032 1.622 0.418 1.00 65.12 H new ATOM 0 HG22 VAL A 68 21.120 3.397 0.323 1.00 65.12 H new ATOM 0 HG23 VAL A 68 19.949 2.509 -0.680 1.00 65.12 H new ATOM 1056 N VAL A 69 24.030 4.494 -2.969 1.00 30.45 N ATOM 1057 CA VAL A 69 25.239 4.603 -3.776 1.00 22.32 C ATOM 1058 C VAL A 69 26.476 4.232 -2.965 1.00 43.34 C ATOM 1059 O VAL A 69 26.799 4.884 -1.972 1.00 32.53 O ATOM 1060 CB VAL A 69 25.413 6.027 -4.336 1.00 24.11 C ATOM 1061 CG1 VAL A 69 26.676 6.118 -5.180 1.00 15.20 C ATOM 1062 CG2 VAL A 69 24.191 6.434 -5.144 1.00 51.33 C ATOM 0 H VAL A 69 23.971 5.166 -2.204 1.00 30.45 H new ATOM 0 HA VAL A 69 25.130 3.905 -4.606 1.00 22.32 H new ATOM 0 HB VAL A 69 25.513 6.719 -3.499 1.00 24.11 H new ATOM 0 HG11 VAL A 69 26.783 7.131 -5.567 1.00 15.20 H new ATOM 0 HG12 VAL A 69 27.542 5.871 -4.566 1.00 15.20 H new ATOM 0 HG13 VAL A 69 26.609 5.417 -6.012 1.00 15.20 H new ATOM 0 HG21 VAL A 69 24.331 7.443 -5.532 1.00 51.33 H new ATOM 0 HG22 VAL A 69 24.057 5.741 -5.975 1.00 51.33 H new ATOM 0 HG23 VAL A 69 23.308 6.410 -4.505 1.00 51.33 H new ATOM 1072 N VAL A 70 27.167 3.182 -3.397 1.00 32.42 N ATOM 1073 CA VAL A 70 28.370 2.724 -2.713 1.00 4.54 C ATOM 1074 C VAL A 70 29.562 2.685 -3.663 1.00 54.22 C ATOM 1075 O VAL A 70 29.549 1.966 -4.661 1.00 54.12 O ATOM 1076 CB VAL A 70 28.171 1.326 -2.099 1.00 75.35 C ATOM 1077 CG1 VAL A 70 29.358 0.951 -1.225 1.00 54.13 C ATOM 1078 CG2 VAL A 70 26.875 1.273 -1.304 1.00 53.23 C ATOM 0 H VAL A 70 26.914 2.632 -4.218 1.00 32.42 H new ATOM 0 HA VAL A 70 28.569 3.438 -1.914 1.00 4.54 H new ATOM 0 HB VAL A 70 28.104 0.600 -2.909 1.00 75.35 H new ATOM 0 HG11 VAL A 70 29.198 -0.040 -0.800 1.00 54.13 H new ATOM 0 HG12 VAL A 70 30.266 0.946 -1.828 1.00 54.13 H new ATOM 0 HG13 VAL A 70 29.461 1.678 -0.420 1.00 54.13 H new ATOM 0 HG21 VAL A 70 26.750 0.278 -0.877 1.00 53.23 H new ATOM 0 HG22 VAL A 70 26.910 2.010 -0.502 1.00 53.23 H new ATOM 0 HG23 VAL A 70 26.035 1.493 -1.963 1.00 53.23 H new ATOM 1088 N ASN A 71 30.591 3.463 -3.345 1.00 42.45 N ATOM 1089 CA ASN A 71 31.792 3.518 -4.172 1.00 33.23 C ATOM 1090 C ASN A 71 33.011 3.036 -3.392 1.00 3.35 C ATOM 1091 O ASN A 71 33.488 3.716 -2.483 1.00 53.22 O ATOM 1092 CB ASN A 71 32.025 4.943 -4.676 1.00 10.43 C ATOM 1093 CG ASN A 71 30.795 5.530 -5.342 1.00 21.33 C ATOM 1094 OD1 ASN A 71 30.471 5.191 -6.480 1.00 31.21 O ATOM 1095 ND2 ASN A 71 30.104 6.415 -4.633 1.00 31.21 N ATOM 0 H ASN A 71 30.618 4.064 -2.521 1.00 42.45 H new ATOM 0 HA ASN A 71 31.645 2.858 -5.027 1.00 33.23 H new ATOM 0 HB2 ASN A 71 32.320 5.577 -3.840 1.00 10.43 H new ATOM 0 HB3 ASN A 71 32.854 4.944 -5.384 1.00 10.43 H new ATOM 0 HD21 ASN A 71 29.267 6.844 -5.028 1.00 31.21 H new ATOM 0 HD22 ASN A 71 30.410 6.666 -3.693 1.00 31.21 H new ATOM 1102 N ALA A 72 33.512 1.859 -3.753 1.00 55.54 N ATOM 1103 CA ALA A 72 34.677 1.288 -3.090 1.00 13.13 C ATOM 1104 C ALA A 72 35.936 2.088 -3.406 1.00 70.34 C ATOM 1105 O ALA A 72 36.817 2.238 -2.559 1.00 53.24 O ATOM 1106 CB ALA A 72 34.856 -0.167 -3.498 1.00 43.41 C ATOM 0 H ALA A 72 33.128 1.282 -4.502 1.00 55.54 H new ATOM 0 HA ALA A 72 34.511 1.334 -2.014 1.00 13.13 H new ATOM 0 HB1 ALA A 72 35.730 -0.581 -2.995 1.00 43.41 H new ATOM 0 HB2 ALA A 72 33.971 -0.736 -3.214 1.00 43.41 H new ATOM 0 HB3 ALA A 72 34.996 -0.228 -4.577 1.00 43.41 H new ATOM 1112 N ASP A 73 36.015 2.598 -4.631 1.00 30.45 N ATOM 1113 CA ASP A 73 37.167 3.383 -5.059 1.00 31.50 C ATOM 1114 C ASP A 73 37.348 4.610 -4.172 1.00 5.13 C ATOM 1115 O ASP A 73 38.473 5.008 -3.866 1.00 33.12 O ATOM 1116 CB ASP A 73 37.004 3.812 -6.518 1.00 23.11 C ATOM 1117 CG ASP A 73 36.233 5.110 -6.657 1.00 31.41 C ATOM 1118 OD1 ASP A 73 34.990 5.053 -6.756 1.00 35.51 O ATOM 1119 OD2 ASP A 73 36.873 6.182 -6.668 1.00 14.45 O ATOM 0 H ASP A 73 35.295 2.482 -5.344 1.00 30.45 H new ATOM 0 HA ASP A 73 38.056 2.758 -4.969 1.00 31.50 H new ATOM 0 HB2 ASP A 73 37.988 3.927 -6.972 1.00 23.11 H new ATOM 0 HB3 ASP A 73 36.489 3.026 -7.069 1.00 23.11 H new ATOM 1124 N LYS A 74 36.235 5.207 -3.762 1.00 14.51 N ATOM 1125 CA LYS A 74 36.269 6.390 -2.910 1.00 21.15 C ATOM 1126 C LYS A 74 36.123 6.006 -1.440 1.00 41.25 C ATOM 1127 O LYS A 74 36.299 6.838 -0.550 1.00 50.22 O ATOM 1128 CB LYS A 74 35.156 7.363 -3.306 1.00 63.35 C ATOM 1129 CG LYS A 74 35.419 8.086 -4.616 1.00 60.42 C ATOM 1130 CD LYS A 74 34.722 9.435 -4.658 1.00 75.10 C ATOM 1131 CE LYS A 74 34.915 10.121 -6.002 1.00 2.14 C ATOM 1132 NZ LYS A 74 36.344 10.457 -6.252 1.00 23.20 N ATOM 0 H LYS A 74 35.296 4.891 -4.006 1.00 14.51 H new ATOM 0 HA LYS A 74 37.234 6.877 -3.047 1.00 21.15 H new ATOM 0 HB2 LYS A 74 34.217 6.815 -3.385 1.00 63.35 H new ATOM 0 HB3 LYS A 74 35.030 8.100 -2.513 1.00 63.35 H new ATOM 0 HG2 LYS A 74 36.492 8.226 -4.746 1.00 60.42 H new ATOM 0 HG3 LYS A 74 35.074 7.471 -5.447 1.00 60.42 H new ATOM 0 HD2 LYS A 74 33.657 9.302 -4.466 1.00 75.10 H new ATOM 0 HD3 LYS A 74 35.112 10.072 -3.864 1.00 75.10 H new ATOM 0 HE2 LYS A 74 34.550 9.471 -6.797 1.00 2.14 H new ATOM 0 HE3 LYS A 74 34.317 11.031 -6.034 1.00 2.14 H new ATOM 0 HZ1 LYS A 74 36.418 11.041 -7.109 1.00 23.20 H new ATOM 0 HZ2 LYS A 74 36.724 10.984 -5.440 1.00 23.20 H new ATOM 0 HZ3 LYS A 74 36.889 9.581 -6.381 1.00 23.20 H new ATOM 1146 N LYS A 75 35.802 4.741 -1.193 1.00 71.24 N ATOM 1147 CA LYS A 75 35.635 4.245 0.168 1.00 40.04 C ATOM 1148 C LYS A 75 34.523 5.000 0.889 1.00 30.30 C ATOM 1149 O LYS A 75 34.627 5.287 2.082 1.00 13.33 O ATOM 1150 CB LYS A 75 36.946 4.380 0.946 1.00 53.31 C ATOM 1151 CG LYS A 75 37.930 3.254 0.681 1.00 74.12 C ATOM 1152 CD LYS A 75 38.812 2.988 1.889 1.00 35.22 C ATOM 1153 CE LYS A 75 40.016 3.916 1.915 1.00 11.45 C ATOM 1154 NZ LYS A 75 41.124 3.364 2.743 1.00 41.13 N ATOM 0 H LYS A 75 35.652 4.040 -1.918 1.00 71.24 H new ATOM 0 HA LYS A 75 35.359 3.192 0.114 1.00 40.04 H new ATOM 0 HB2 LYS A 75 37.415 5.329 0.688 1.00 53.31 H new ATOM 0 HB3 LYS A 75 36.724 4.413 2.013 1.00 53.31 H new ATOM 0 HG2 LYS A 75 37.385 2.347 0.421 1.00 74.12 H new ATOM 0 HG3 LYS A 75 38.553 3.508 -0.176 1.00 74.12 H new ATOM 0 HD2 LYS A 75 38.230 3.119 2.801 1.00 35.22 H new ATOM 0 HD3 LYS A 75 39.150 1.952 1.873 1.00 35.22 H new ATOM 0 HE2 LYS A 75 40.370 4.080 0.897 1.00 11.45 H new ATOM 0 HE3 LYS A 75 39.717 4.887 2.309 1.00 11.45 H new ATOM 0 HZ1 LYS A 75 41.926 4.026 2.735 1.00 41.13 H new ATOM 0 HZ2 LYS A 75 40.794 3.231 3.720 1.00 41.13 H new ATOM 0 HZ3 LYS A 75 41.427 2.449 2.352 1.00 41.13 H new ATOM 1168 N LEU A 76 33.459 5.317 0.159 1.00 63.50 N ATOM 1169 CA LEU A 76 32.326 6.037 0.730 1.00 64.30 C ATOM 1170 C LEU A 76 31.008 5.502 0.179 1.00 1.34 C ATOM 1171 O LEU A 76 30.956 4.977 -0.932 1.00 70.12 O ATOM 1172 CB LEU A 76 32.447 7.533 0.435 1.00 74.24 C ATOM 1173 CG LEU A 76 33.118 7.904 -0.888 1.00 70.00 C ATOM 1174 CD1 LEU A 76 32.220 7.545 -2.062 1.00 11.23 C ATOM 1175 CD2 LEU A 76 33.465 9.385 -0.913 1.00 13.52 C ATOM 0 H LEU A 76 33.357 5.087 -0.829 1.00 63.50 H new ATOM 0 HA LEU A 76 32.335 5.884 1.809 1.00 64.30 H new ATOM 0 HB2 LEU A 76 31.447 7.967 0.447 1.00 74.24 H new ATOM 0 HB3 LEU A 76 33.006 7.999 1.246 1.00 74.24 H new ATOM 0 HG LEU A 76 34.042 7.333 -0.977 1.00 70.00 H new ATOM 0 HD11 LEU A 76 32.715 7.816 -2.995 1.00 11.23 H new ATOM 0 HD12 LEU A 76 32.023 6.473 -2.055 1.00 11.23 H new ATOM 0 HD13 LEU A 76 31.278 8.088 -1.979 1.00 11.23 H new ATOM 0 HD21 LEU A 76 33.942 9.631 -1.862 1.00 13.52 H new ATOM 0 HD22 LEU A 76 32.555 9.974 -0.801 1.00 13.52 H new ATOM 0 HD23 LEU A 76 34.148 9.613 -0.094 1.00 13.52 H new ATOM 1187 N MET A 77 29.945 5.642 0.964 1.00 12.44 N ATOM 1188 CA MET A 77 28.625 5.177 0.553 1.00 24.44 C ATOM 1189 C MET A 77 27.535 6.111 1.066 1.00 13.54 C ATOM 1190 O MET A 77 27.510 6.464 2.246 1.00 62.24 O ATOM 1191 CB MET A 77 28.379 3.757 1.067 1.00 24.31 C ATOM 1192 CG MET A 77 27.936 3.704 2.520 1.00 12.41 C ATOM 1193 SD MET A 77 27.627 2.022 3.092 1.00 3.50 S ATOM 1194 CE MET A 77 26.230 1.568 2.068 1.00 33.23 C ATOM 0 H MET A 77 29.972 6.073 1.888 1.00 12.44 H new ATOM 0 HA MET A 77 28.592 5.173 -0.536 1.00 24.44 H new ATOM 0 HB2 MET A 77 27.619 3.282 0.447 1.00 24.31 H new ATOM 0 HB3 MET A 77 29.293 3.175 0.953 1.00 24.31 H new ATOM 0 HG2 MET A 77 28.702 4.161 3.146 1.00 12.41 H new ATOM 0 HG3 MET A 77 27.029 4.297 2.641 1.00 12.41 H new ATOM 0 HE1 MET A 77 25.412 1.224 2.701 1.00 33.23 H new ATOM 0 HE2 MET A 77 25.904 2.434 1.492 1.00 33.23 H new ATOM 0 HE3 MET A 77 26.523 0.769 1.387 1.00 33.23 H new ATOM 1204 N SER A 78 26.635 6.510 0.173 1.00 34.12 N ATOM 1205 CA SER A 78 25.544 7.407 0.535 1.00 12.43 C ATOM 1206 C SER A 78 24.191 6.761 0.250 1.00 4.34 C ATOM 1207 O SER A 78 23.988 6.158 -0.803 1.00 41.35 O ATOM 1208 CB SER A 78 25.664 8.726 -0.232 1.00 32.40 C ATOM 1209 OG SER A 78 26.818 9.444 0.167 1.00 41.44 O ATOM 0 H SER A 78 26.640 6.226 -0.807 1.00 34.12 H new ATOM 0 HA SER A 78 25.612 7.609 1.604 1.00 12.43 H new ATOM 0 HB2 SER A 78 25.709 8.525 -1.302 1.00 32.40 H new ATOM 0 HB3 SER A 78 24.776 9.333 -0.058 1.00 32.40 H new ATOM 0 HG SER A 78 26.873 10.282 -0.338 1.00 41.44 H new ATOM 1215 N VAL A 79 23.269 6.892 1.198 1.00 33.03 N ATOM 1216 CA VAL A 79 21.935 6.323 1.050 1.00 33.55 C ATOM 1217 C VAL A 79 20.870 7.413 1.040 1.00 14.32 C ATOM 1218 O VAL A 79 20.726 8.164 2.005 1.00 42.31 O ATOM 1219 CB VAL A 79 21.622 5.325 2.182 1.00 54.23 C ATOM 1220 CG1 VAL A 79 20.193 4.816 2.064 1.00 22.34 C ATOM 1221 CG2 VAL A 79 22.612 4.170 2.162 1.00 14.44 C ATOM 0 H VAL A 79 23.421 7.387 2.077 1.00 33.03 H new ATOM 0 HA VAL A 79 21.920 5.796 0.096 1.00 33.55 H new ATOM 0 HB VAL A 79 21.721 5.841 3.137 1.00 54.23 H new ATOM 0 HG11 VAL A 79 19.990 4.112 2.871 1.00 22.34 H new ATOM 0 HG12 VAL A 79 19.501 5.655 2.131 1.00 22.34 H new ATOM 0 HG13 VAL A 79 20.063 4.315 1.105 1.00 22.34 H new ATOM 0 HG21 VAL A 79 22.376 3.475 2.968 1.00 14.44 H new ATOM 0 HG22 VAL A 79 22.547 3.652 1.205 1.00 14.44 H new ATOM 0 HG23 VAL A 79 23.623 4.555 2.299 1.00 14.44 H new ATOM 1231 N SER A 80 20.124 7.494 -0.057 1.00 50.32 N ATOM 1232 CA SER A 80 19.073 8.496 -0.195 1.00 61.21 C ATOM 1233 C SER A 80 17.705 7.833 -0.325 1.00 50.22 C ATOM 1234 O SER A 80 17.461 7.064 -1.255 1.00 53.21 O ATOM 1235 CB SER A 80 19.341 9.382 -1.413 1.00 12.42 C ATOM 1236 OG SER A 80 18.377 10.417 -1.512 1.00 63.22 O ATOM 0 H SER A 80 20.228 6.878 -0.863 1.00 50.32 H new ATOM 0 HA SER A 80 19.074 9.115 0.702 1.00 61.21 H new ATOM 0 HB2 SER A 80 20.338 9.815 -1.339 1.00 12.42 H new ATOM 0 HB3 SER A 80 19.323 8.776 -2.319 1.00 12.42 H new ATOM 0 HG SER A 80 18.571 10.971 -2.297 1.00 63.22 H new ATOM 1242 N PHE A 81 16.816 8.137 0.614 1.00 14.33 N ATOM 1243 CA PHE A 81 15.472 7.571 0.607 1.00 53.33 C ATOM 1244 C PHE A 81 14.427 8.648 0.884 1.00 75.05 C ATOM 1245 O PHE A 81 14.659 9.567 1.669 1.00 20.53 O ATOM 1246 CB PHE A 81 15.359 6.456 1.648 1.00 63.20 C ATOM 1247 CG PHE A 81 15.892 5.135 1.171 1.00 21.13 C ATOM 1248 CD1 PHE A 81 17.231 4.989 0.846 1.00 2.55 C ATOM 1249 CD2 PHE A 81 15.054 4.039 1.047 1.00 33.34 C ATOM 1250 CE1 PHE A 81 17.725 3.775 0.408 1.00 51.21 C ATOM 1251 CE2 PHE A 81 15.542 2.822 0.610 1.00 72.02 C ATOM 1252 CZ PHE A 81 16.879 2.690 0.288 1.00 14.34 C ATOM 0 H PHE A 81 17.002 8.772 1.390 1.00 14.33 H new ATOM 0 HA PHE A 81 15.286 7.154 -0.383 1.00 53.33 H new ATOM 0 HB2 PHE A 81 15.899 6.753 2.547 1.00 63.20 H new ATOM 0 HB3 PHE A 81 14.313 6.337 1.929 1.00 63.20 H new ATOM 0 HD1 PHE A 81 17.897 5.834 0.936 1.00 2.55 H new ATOM 0 HD2 PHE A 81 14.007 4.137 1.295 1.00 33.34 H new ATOM 0 HE1 PHE A 81 18.771 3.675 0.160 1.00 51.21 H new ATOM 0 HE2 PHE A 81 14.878 1.975 0.520 1.00 72.02 H new ATOM 0 HZ PHE A 81 17.262 1.741 -0.057 1.00 14.34 H new ATOM 1262 N SER A 82 13.275 8.528 0.231 1.00 34.44 N ATOM 1263 CA SER A 82 12.195 9.492 0.403 1.00 14.20 C ATOM 1264 C SER A 82 10.958 8.823 0.995 1.00 54.24 C ATOM 1265 O SER A 82 10.724 7.632 0.788 1.00 55.43 O ATOM 1266 CB SER A 82 11.845 10.142 -0.937 1.00 41.21 C ATOM 1267 OG SER A 82 10.589 10.795 -0.875 1.00 73.21 O ATOM 0 H SER A 82 13.066 7.773 -0.422 1.00 34.44 H new ATOM 0 HA SER A 82 12.536 10.262 1.095 1.00 14.20 H new ATOM 0 HB2 SER A 82 12.619 10.860 -1.209 1.00 41.21 H new ATOM 0 HB3 SER A 82 11.825 9.383 -1.719 1.00 41.21 H new ATOM 0 HG SER A 82 10.390 11.204 -1.743 1.00 73.21 H new ATOM 1273 N ASP A 83 10.169 9.598 1.732 1.00 64.04 N ATOM 1274 CA ASP A 83 8.955 9.082 2.353 1.00 2.32 C ATOM 1275 C ASP A 83 9.102 7.601 2.686 1.00 23.14 C ATOM 1276 O ASP A 83 8.634 6.738 1.943 1.00 13.12 O ATOM 1277 CB ASP A 83 7.755 9.293 1.429 1.00 15.25 C ATOM 1278 CG ASP A 83 7.203 10.703 1.510 1.00 40.13 C ATOM 1279 OD1 ASP A 83 8.010 11.651 1.610 1.00 13.34 O ATOM 1280 OD2 ASP A 83 5.965 10.858 1.471 1.00 53.41 O ATOM 0 H ASP A 83 10.349 10.585 1.914 1.00 64.04 H new ATOM 0 HA ASP A 83 8.790 9.630 3.281 1.00 2.32 H new ATOM 0 HB2 ASP A 83 8.049 9.080 0.401 1.00 15.25 H new ATOM 0 HB3 ASP A 83 6.970 8.583 1.690 1.00 15.25 H new ATOM 1285 N ILE A 84 9.756 7.314 3.807 1.00 64.23 N ATOM 1286 CA ILE A 84 9.965 5.937 4.238 1.00 51.14 C ATOM 1287 C ILE A 84 9.660 5.774 5.723 1.00 71.43 C ATOM 1288 O ILE A 84 9.875 6.691 6.516 1.00 75.34 O ATOM 1289 CB ILE A 84 11.409 5.475 3.968 1.00 42.42 C ATOM 1290 CG1 ILE A 84 12.388 6.240 4.862 1.00 74.11 C ATOM 1291 CG2 ILE A 84 11.762 5.669 2.501 1.00 51.14 C ATOM 1292 CD1 ILE A 84 13.207 5.345 5.765 1.00 34.42 C ATOM 0 H ILE A 84 10.150 8.016 4.433 1.00 64.23 H new ATOM 0 HA ILE A 84 9.280 5.318 3.659 1.00 51.14 H new ATOM 0 HB ILE A 84 11.485 4.413 4.203 1.00 42.42 H new ATOM 0 HG12 ILE A 84 13.062 6.823 4.234 1.00 74.11 H new ATOM 0 HG13 ILE A 84 11.830 6.948 5.475 1.00 74.11 H new ATOM 0 HG21 ILE A 84 12.786 5.338 2.326 1.00 51.14 H new ATOM 0 HG22 ILE A 84 11.081 5.084 1.883 1.00 51.14 H new ATOM 0 HG23 ILE A 84 11.673 6.724 2.242 1.00 51.14 H new ATOM 0 HD11 ILE A 84 13.879 5.955 6.370 1.00 34.42 H new ATOM 0 HD12 ILE A 84 12.542 4.781 6.419 1.00 34.42 H new ATOM 0 HD13 ILE A 84 13.792 4.654 5.159 1.00 34.42 H new ATOM 1304 N ASP A 85 9.160 4.600 6.093 1.00 61.24 N ATOM 1305 CA ASP A 85 8.828 4.314 7.484 1.00 41.14 C ATOM 1306 C ASP A 85 10.077 3.937 8.274 1.00 2.20 C ATOM 1307 O ASP A 85 11.088 3.535 7.700 1.00 61.44 O ATOM 1308 CB ASP A 85 7.799 3.185 7.563 1.00 1.32 C ATOM 1309 CG ASP A 85 6.877 3.157 6.360 1.00 31.32 C ATOM 1310 OD1 ASP A 85 6.423 4.239 5.936 1.00 55.44 O ATOM 1311 OD2 ASP A 85 6.609 2.051 5.844 1.00 52.42 O ATOM 0 H ASP A 85 8.976 3.831 5.449 1.00 61.24 H new ATOM 0 HA ASP A 85 8.401 5.216 7.923 1.00 41.14 H new ATOM 0 HB2 ASP A 85 8.318 2.230 7.642 1.00 1.32 H new ATOM 0 HB3 ASP A 85 7.205 3.301 8.470 1.00 1.32 H new ATOM 1316 N GLU A 86 9.999 4.072 9.594 1.00 1.03 N ATOM 1317 CA GLU A 86 11.125 3.747 10.463 1.00 53.25 C ATOM 1318 C GLU A 86 11.405 2.247 10.452 1.00 52.21 C ATOM 1319 O GLU A 86 12.519 1.811 10.739 1.00 13.21 O ATOM 1320 CB GLU A 86 10.846 4.215 11.892 1.00 30.15 C ATOM 1321 CG GLU A 86 9.684 3.493 12.553 1.00 14.23 C ATOM 1322 CD GLU A 86 9.515 3.872 14.012 1.00 52.32 C ATOM 1323 OE1 GLU A 86 9.197 5.049 14.285 1.00 20.23 O ATOM 1324 OE2 GLU A 86 9.700 2.994 14.879 1.00 24.51 O ATOM 0 H GLU A 86 9.169 4.404 10.085 1.00 1.03 H new ATOM 0 HA GLU A 86 12.006 4.266 10.084 1.00 53.25 H new ATOM 0 HB2 GLU A 86 11.743 4.070 12.494 1.00 30.15 H new ATOM 0 HB3 GLU A 86 10.639 5.285 11.881 1.00 30.15 H new ATOM 0 HG2 GLU A 86 8.765 3.722 12.013 1.00 14.23 H new ATOM 0 HG3 GLU A 86 9.839 2.417 12.477 1.00 14.23 H new ATOM 1331 N ASN A 87 10.385 1.463 10.119 1.00 54.01 N ATOM 1332 CA ASN A 87 10.520 0.012 10.072 1.00 71.42 C ATOM 1333 C ASN A 87 11.636 -0.400 9.116 1.00 13.11 C ATOM 1334 O ASN A 87 12.512 -1.187 9.472 1.00 44.22 O ATOM 1335 CB ASN A 87 9.200 -0.631 9.640 1.00 42.44 C ATOM 1336 CG ASN A 87 9.272 -2.145 9.624 1.00 30.34 C ATOM 1337 OD1 ASN A 87 10.205 -2.739 10.165 1.00 62.00 O ATOM 1338 ND2 ASN A 87 8.284 -2.778 9.003 1.00 73.11 N ATOM 0 H ASN A 87 9.456 1.808 9.878 1.00 54.01 H new ATOM 0 HA ASN A 87 10.776 -0.336 11.073 1.00 71.42 H new ATOM 0 HB2 ASN A 87 8.406 -0.315 10.317 1.00 42.44 H new ATOM 0 HB3 ASN A 87 8.933 -0.272 8.646 1.00 42.44 H new ATOM 0 HD21 ASN A 87 8.278 -3.797 8.961 1.00 73.11 H new ATOM 0 HD22 ASN A 87 7.531 -2.245 8.568 1.00 73.11 H new ATOM 1345 N MET A 88 11.596 0.138 7.902 1.00 53.53 N ATOM 1346 CA MET A 88 12.605 -0.171 6.895 1.00 34.42 C ATOM 1347 C MET A 88 13.883 0.623 7.144 1.00 32.01 C ATOM 1348 O MET A 88 14.985 0.148 6.868 1.00 12.24 O ATOM 1349 CB MET A 88 12.068 0.130 5.495 1.00 73.54 C ATOM 1350 CG MET A 88 11.370 1.476 5.387 1.00 21.25 C ATOM 1351 SD MET A 88 9.574 1.325 5.325 1.00 65.40 S ATOM 1352 CE MET A 88 9.356 0.539 3.730 1.00 1.21 C ATOM 0 H MET A 88 10.876 0.790 7.591 1.00 53.53 H new ATOM 0 HA MET A 88 12.839 -1.233 6.966 1.00 34.42 H new ATOM 0 HB2 MET A 88 12.894 0.100 4.784 1.00 73.54 H new ATOM 0 HB3 MET A 88 11.370 -0.656 5.206 1.00 73.54 H new ATOM 0 HG2 MET A 88 11.649 2.095 6.240 1.00 21.25 H new ATOM 0 HG3 MET A 88 11.718 1.991 4.492 1.00 21.25 H new ATOM 0 HE1 MET A 88 8.329 0.679 3.393 1.00 1.21 H new ATOM 0 HE2 MET A 88 10.039 0.986 3.008 1.00 1.21 H new ATOM 0 HE3 MET A 88 9.567 -0.527 3.818 1.00 1.21 H new ATOM 1362 N LYS A 89 13.729 1.835 7.666 1.00 34.15 N ATOM 1363 CA LYS A 89 14.870 2.696 7.954 1.00 71.33 C ATOM 1364 C LYS A 89 15.914 1.956 8.784 1.00 60.12 C ATOM 1365 O LYS A 89 17.116 2.109 8.568 1.00 64.12 O ATOM 1366 CB LYS A 89 14.412 3.954 8.695 1.00 41.15 C ATOM 1367 CG LYS A 89 15.506 4.995 8.858 1.00 13.40 C ATOM 1368 CD LYS A 89 15.846 5.659 7.534 1.00 23.12 C ATOM 1369 CE LYS A 89 17.274 6.184 7.525 1.00 53.20 C ATOM 1370 NZ LYS A 89 18.262 5.101 7.263 1.00 14.14 N ATOM 0 H LYS A 89 12.824 2.244 7.899 1.00 34.15 H new ATOM 0 HA LYS A 89 15.323 2.985 7.006 1.00 71.33 H new ATOM 0 HB2 LYS A 89 13.576 4.399 8.156 1.00 41.15 H new ATOM 0 HB3 LYS A 89 14.042 3.671 9.680 1.00 41.15 H new ATOM 0 HG2 LYS A 89 15.185 5.752 9.574 1.00 13.40 H new ATOM 0 HG3 LYS A 89 16.399 4.524 9.270 1.00 13.40 H new ATOM 0 HD2 LYS A 89 15.715 4.943 6.722 1.00 23.12 H new ATOM 0 HD3 LYS A 89 15.154 6.481 7.349 1.00 23.12 H new ATOM 0 HE2 LYS A 89 17.372 6.957 6.763 1.00 53.20 H new ATOM 0 HE3 LYS A 89 17.495 6.653 8.484 1.00 53.20 H new ATOM 0 HZ1 LYS A 89 19.199 5.395 7.606 1.00 14.14 H new ATOM 0 HZ2 LYS A 89 17.968 4.235 7.759 1.00 14.14 H new ATOM 0 HZ3 LYS A 89 18.310 4.915 6.241 1.00 14.14 H new ATOM 1384 N LYS A 90 15.447 1.152 9.733 1.00 3.24 N ATOM 1385 CA LYS A 90 16.340 0.386 10.595 1.00 71.33 C ATOM 1386 C LYS A 90 17.247 -0.521 9.769 1.00 41.31 C ATOM 1387 O LYS A 90 18.421 -0.703 10.093 1.00 34.33 O ATOM 1388 CB LYS A 90 15.530 -0.452 11.586 1.00 31.44 C ATOM 1389 CG LYS A 90 14.878 -1.673 10.961 1.00 54.04 C ATOM 1390 CD LYS A 90 15.747 -2.910 11.114 1.00 15.02 C ATOM 1391 CE LYS A 90 15.756 -3.410 12.551 1.00 51.32 C ATOM 1392 NZ LYS A 90 14.674 -4.402 12.800 1.00 71.12 N ATOM 0 H LYS A 90 14.455 1.014 9.925 1.00 3.24 H new ATOM 0 HA LYS A 90 16.964 1.089 11.147 1.00 71.33 H new ATOM 0 HB2 LYS A 90 16.184 -0.775 12.396 1.00 31.44 H new ATOM 0 HB3 LYS A 90 14.757 0.174 12.031 1.00 31.44 H new ATOM 0 HG2 LYS A 90 13.909 -1.848 11.428 1.00 54.04 H new ATOM 0 HG3 LYS A 90 14.693 -1.486 9.903 1.00 54.04 H new ATOM 0 HD2 LYS A 90 15.380 -3.698 10.456 1.00 15.02 H new ATOM 0 HD3 LYS A 90 16.766 -2.682 10.801 1.00 15.02 H new ATOM 0 HE2 LYS A 90 16.722 -3.864 12.772 1.00 51.32 H new ATOM 0 HE3 LYS A 90 15.638 -2.566 13.230 1.00 51.32 H new ATOM 0 HZ1 LYS A 90 14.714 -4.718 13.790 1.00 71.12 H new ATOM 0 HZ2 LYS A 90 13.750 -3.962 12.614 1.00 71.12 H new ATOM 0 HZ3 LYS A 90 14.801 -5.220 12.170 1.00 71.12 H new ATOM 1406 N VAL A 91 16.696 -1.086 8.699 1.00 44.50 N ATOM 1407 CA VAL A 91 17.457 -1.971 7.825 1.00 12.11 C ATOM 1408 C VAL A 91 18.452 -1.185 6.978 1.00 31.43 C ATOM 1409 O VAL A 91 19.562 -1.649 6.718 1.00 64.24 O ATOM 1410 CB VAL A 91 16.529 -2.774 6.894 1.00 13.43 C ATOM 1411 CG1 VAL A 91 15.151 -2.931 7.520 1.00 62.21 C ATOM 1412 CG2 VAL A 91 16.431 -2.103 5.532 1.00 22.13 C ATOM 0 H VAL A 91 15.726 -0.947 8.417 1.00 44.50 H new ATOM 0 HA VAL A 91 18.000 -2.662 8.470 1.00 12.11 H new ATOM 0 HB VAL A 91 16.954 -3.768 6.754 1.00 13.43 H new ATOM 0 HG11 VAL A 91 14.509 -3.501 6.848 1.00 62.21 H new ATOM 0 HG12 VAL A 91 15.241 -3.458 8.470 1.00 62.21 H new ATOM 0 HG13 VAL A 91 14.715 -1.947 7.691 1.00 62.21 H new ATOM 0 HG21 VAL A 91 15.772 -2.684 4.887 1.00 22.13 H new ATOM 0 HG22 VAL A 91 16.029 -1.097 5.650 1.00 22.13 H new ATOM 0 HG23 VAL A 91 17.422 -2.047 5.082 1.00 22.13 H new ATOM 1422 N ILE A 92 18.047 0.006 6.552 1.00 14.11 N ATOM 1423 CA ILE A 92 18.904 0.857 5.736 1.00 74.01 C ATOM 1424 C ILE A 92 20.094 1.370 6.539 1.00 12.41 C ATOM 1425 O ILE A 92 21.236 1.311 6.084 1.00 24.23 O ATOM 1426 CB ILE A 92 18.126 2.058 5.167 1.00 41.43 C ATOM 1427 CG1 ILE A 92 16.747 1.615 4.675 1.00 33.53 C ATOM 1428 CG2 ILE A 92 18.911 2.711 4.039 1.00 44.21 C ATOM 1429 CD1 ILE A 92 16.044 2.653 3.830 1.00 55.13 C ATOM 0 H ILE A 92 17.131 0.404 6.758 1.00 14.11 H new ATOM 0 HA ILE A 92 19.264 0.244 4.910 1.00 74.01 H new ATOM 0 HB ILE A 92 17.989 2.792 5.961 1.00 41.43 H new ATOM 0 HG12 ILE A 92 16.855 0.698 4.095 1.00 33.53 H new ATOM 0 HG13 ILE A 92 16.123 1.376 5.536 1.00 33.53 H new ATOM 0 HG21 ILE A 92 18.348 3.558 3.647 1.00 44.21 H new ATOM 0 HG22 ILE A 92 19.872 3.058 4.418 1.00 44.21 H new ATOM 0 HG23 ILE A 92 19.076 1.985 3.243 1.00 44.21 H new ATOM 0 HD11 ILE A 92 15.073 2.270 3.517 1.00 55.13 H new ATOM 0 HD12 ILE A 92 15.904 3.563 4.413 1.00 55.13 H new ATOM 0 HD13 ILE A 92 16.647 2.875 2.950 1.00 55.13 H new ATOM 1441 N LYS A 93 19.819 1.874 7.738 1.00 72.33 N ATOM 1442 CA LYS A 93 20.866 2.395 8.608 1.00 42.33 C ATOM 1443 C LYS A 93 21.813 1.283 9.047 1.00 61.15 C ATOM 1444 O LYS A 93 23.031 1.455 9.044 1.00 5.32 O ATOM 1445 CB LYS A 93 20.249 3.068 9.836 1.00 43.52 C ATOM 1446 CG LYS A 93 21.256 3.828 10.683 1.00 74.11 C ATOM 1447 CD LYS A 93 21.529 5.211 10.117 1.00 5.33 C ATOM 1448 CE LYS A 93 22.003 6.172 11.198 1.00 74.42 C ATOM 1449 NZ LYS A 93 20.917 6.500 12.162 1.00 14.13 N ATOM 0 H LYS A 93 18.879 1.932 8.129 1.00 72.33 H new ATOM 0 HA LYS A 93 21.437 3.133 8.045 1.00 42.33 H new ATOM 0 HB2 LYS A 93 19.469 3.756 9.510 1.00 43.52 H new ATOM 0 HB3 LYS A 93 19.767 2.309 10.453 1.00 43.52 H new ATOM 0 HG2 LYS A 93 20.881 3.919 11.702 1.00 74.11 H new ATOM 0 HG3 LYS A 93 22.188 3.265 10.735 1.00 74.11 H new ATOM 0 HD2 LYS A 93 22.284 5.142 9.333 1.00 5.33 H new ATOM 0 HD3 LYS A 93 20.623 5.601 9.654 1.00 5.33 H new ATOM 0 HE2 LYS A 93 22.843 5.730 11.734 1.00 74.42 H new ATOM 0 HE3 LYS A 93 22.367 7.089 10.735 1.00 74.42 H new ATOM 0 HZ1 LYS A 93 21.134 7.399 12.637 1.00 14.13 H new ATOM 0 HZ2 LYS A 93 20.015 6.587 11.652 1.00 14.13 H new ATOM 0 HZ3 LYS A 93 20.842 5.743 12.871 1.00 14.13 H new ATOM 1463 N ALA A 94 21.245 0.142 9.421 1.00 35.43 N ATOM 1464 CA ALA A 94 22.038 -1.000 9.859 1.00 45.20 C ATOM 1465 C ALA A 94 22.957 -1.490 8.744 1.00 14.33 C ATOM 1466 O ALA A 94 24.116 -1.829 8.984 1.00 10.20 O ATOM 1467 CB ALA A 94 21.130 -2.125 10.330 1.00 74.52 C ATOM 0 H ALA A 94 20.237 -0.017 9.430 1.00 35.43 H new ATOM 0 HA ALA A 94 22.661 -0.679 10.694 1.00 45.20 H new ATOM 0 HB1 ALA A 94 21.737 -2.971 10.654 1.00 74.52 H new ATOM 0 HB2 ALA A 94 20.520 -1.776 11.163 1.00 74.52 H new ATOM 0 HB3 ALA A 94 20.481 -2.436 9.511 1.00 74.52 H new ATOM 1473 N THR A 95 22.431 -1.526 7.524 1.00 51.53 N ATOM 1474 CA THR A 95 23.203 -1.976 6.372 1.00 15.12 C ATOM 1475 C THR A 95 24.333 -1.004 6.054 1.00 61.22 C ATOM 1476 O THR A 95 25.439 -1.417 5.705 1.00 53.43 O ATOM 1477 CB THR A 95 22.311 -2.135 5.126 1.00 2.30 C ATOM 1478 OG1 THR A 95 21.296 -3.114 5.371 1.00 31.25 O ATOM 1479 CG2 THR A 95 23.139 -2.546 3.918 1.00 73.52 C ATOM 0 H THR A 95 21.473 -1.249 7.308 1.00 51.53 H new ATOM 0 HA THR A 95 23.625 -2.946 6.634 1.00 15.12 H new ATOM 0 HB THR A 95 21.843 -1.173 4.916 1.00 2.30 H new ATOM 0 HG1 THR A 95 20.689 -2.789 6.068 1.00 31.25 H new ATOM 0 HG21 THR A 95 22.488 -2.652 3.050 1.00 73.52 H new ATOM 0 HG22 THR A 95 23.891 -1.784 3.716 1.00 73.52 H new ATOM 0 HG23 THR A 95 23.631 -3.497 4.121 1.00 73.52 H new ATOM 1487 N ALA A 96 24.049 0.288 6.177 1.00 13.12 N ATOM 1488 CA ALA A 96 25.043 1.318 5.905 1.00 2.51 C ATOM 1489 C ALA A 96 26.199 1.241 6.897 1.00 41.43 C ATOM 1490 O ALA A 96 27.366 1.252 6.505 1.00 34.33 O ATOM 1491 CB ALA A 96 24.400 2.697 5.947 1.00 22.22 C ATOM 0 H ALA A 96 23.138 0.646 6.463 1.00 13.12 H new ATOM 0 HA ALA A 96 25.444 1.146 4.906 1.00 2.51 H new ATOM 0 HB1 ALA A 96 25.154 3.457 5.742 1.00 22.22 H new ATOM 0 HB2 ALA A 96 23.613 2.755 5.195 1.00 22.22 H new ATOM 0 HB3 ALA A 96 23.971 2.869 6.934 1.00 22.22 H new ATOM 1497 N GLU A 97 25.867 1.165 8.182 1.00 75.14 N ATOM 1498 CA GLU A 97 26.878 1.088 9.229 1.00 65.24 C ATOM 1499 C GLU A 97 27.673 -0.211 9.123 1.00 42.45 C ATOM 1500 O GLU A 97 28.861 -0.254 9.446 1.00 55.23 O ATOM 1501 CB GLU A 97 26.225 1.187 10.609 1.00 41.34 C ATOM 1502 CG GLU A 97 25.223 0.080 10.889 1.00 40.02 C ATOM 1503 CD GLU A 97 25.217 -0.347 12.344 1.00 63.12 C ATOM 1504 OE1 GLU A 97 25.128 0.538 13.221 1.00 73.32 O ATOM 1505 OE2 GLU A 97 25.303 -1.565 12.606 1.00 54.04 O ATOM 0 H GLU A 97 24.906 1.155 8.523 1.00 75.14 H new ATOM 0 HA GLU A 97 27.563 1.926 9.099 1.00 65.24 H new ATOM 0 HB2 GLU A 97 27.003 1.163 11.372 1.00 41.34 H new ATOM 0 HB3 GLU A 97 25.723 2.151 10.696 1.00 41.34 H new ATOM 0 HG2 GLU A 97 24.225 0.419 10.610 1.00 40.02 H new ATOM 0 HG3 GLU A 97 25.454 -0.781 10.262 1.00 40.02 H new ATOM 1512 N LYS A 98 27.010 -1.268 8.668 1.00 75.12 N ATOM 1513 CA LYS A 98 27.652 -2.568 8.518 1.00 73.54 C ATOM 1514 C LYS A 98 28.845 -2.480 7.571 1.00 33.12 C ATOM 1515 O LYS A 98 29.875 -3.115 7.795 1.00 65.22 O ATOM 1516 CB LYS A 98 26.648 -3.599 7.995 1.00 12.40 C ATOM 1517 CG LYS A 98 27.051 -5.036 8.274 1.00 73.30 C ATOM 1518 CD LYS A 98 26.874 -5.390 9.741 1.00 20.30 C ATOM 1519 CE LYS A 98 27.918 -6.397 10.201 1.00 14.31 C ATOM 1520 NZ LYS A 98 27.641 -6.893 11.578 1.00 51.52 N ATOM 0 H LYS A 98 26.027 -1.250 8.396 1.00 75.12 H new ATOM 0 HA LYS A 98 28.010 -2.883 9.498 1.00 73.54 H new ATOM 0 HB2 LYS A 98 25.675 -3.409 8.448 1.00 12.40 H new ATOM 0 HB3 LYS A 98 26.530 -3.466 6.920 1.00 12.40 H new ATOM 0 HG2 LYS A 98 26.451 -5.709 7.661 1.00 73.30 H new ATOM 0 HG3 LYS A 98 28.091 -5.186 7.986 1.00 73.30 H new ATOM 0 HD2 LYS A 98 26.947 -4.486 10.346 1.00 20.30 H new ATOM 0 HD3 LYS A 98 25.877 -5.800 9.900 1.00 20.30 H new ATOM 0 HE2 LYS A 98 27.940 -7.239 9.509 1.00 14.31 H new ATOM 0 HE3 LYS A 98 28.905 -5.935 10.173 1.00 14.31 H new ATOM 0 HZ1 LYS A 98 28.374 -7.577 11.855 1.00 51.52 H new ATOM 0 HZ2 LYS A 98 27.645 -6.093 12.243 1.00 51.52 H new ATOM 0 HZ3 LYS A 98 26.710 -7.356 11.599 1.00 51.52 H new ATOM 1534 N PHE A 99 28.698 -1.688 6.514 1.00 3.14 N ATOM 1535 CA PHE A 99 29.764 -1.516 5.534 1.00 23.12 C ATOM 1536 C PHE A 99 30.978 -0.838 6.164 1.00 72.14 C ATOM 1537 O PHE A 99 32.119 -1.111 5.791 1.00 21.22 O ATOM 1538 CB PHE A 99 29.265 -0.692 4.345 1.00 21.34 C ATOM 1539 CG PHE A 99 28.770 -1.530 3.201 1.00 10.03 C ATOM 1540 CD1 PHE A 99 27.560 -2.200 3.289 1.00 64.14 C ATOM 1541 CD2 PHE A 99 29.514 -1.648 2.039 1.00 45.34 C ATOM 1542 CE1 PHE A 99 27.102 -2.972 2.237 1.00 14.54 C ATOM 1543 CE2 PHE A 99 29.061 -2.417 0.984 1.00 34.31 C ATOM 1544 CZ PHE A 99 27.853 -3.081 1.084 1.00 4.01 C ATOM 0 H PHE A 99 27.851 -1.155 6.314 1.00 3.14 H new ATOM 0 HA PHE A 99 30.063 -2.503 5.183 1.00 23.12 H new ATOM 0 HB2 PHE A 99 28.461 -0.036 4.679 1.00 21.34 H new ATOM 0 HB3 PHE A 99 30.073 -0.051 3.993 1.00 21.34 H new ATOM 0 HD1 PHE A 99 26.968 -2.118 4.189 1.00 64.14 H new ATOM 0 HD2 PHE A 99 30.460 -1.133 1.956 1.00 45.34 H new ATOM 0 HE1 PHE A 99 26.157 -3.489 2.318 1.00 14.54 H new ATOM 0 HE2 PHE A 99 29.650 -2.499 0.083 1.00 34.31 H new ATOM 0 HZ PHE A 99 27.497 -3.684 0.262 1.00 4.01 H new ATOM 1554 N LYS A 100 30.723 0.048 7.120 1.00 52.52 N ATOM 1555 CA LYS A 100 31.792 0.767 7.803 1.00 22.40 C ATOM 1556 C LYS A 100 32.711 -0.201 8.542 1.00 3.42 C ATOM 1557 O LYS A 100 33.897 0.071 8.723 1.00 3.41 O ATOM 1558 CB LYS A 100 31.205 1.782 8.787 1.00 64.34 C ATOM 1559 CG LYS A 100 32.258 2.565 9.552 1.00 33.24 C ATOM 1560 CD LYS A 100 31.651 3.759 10.270 1.00 24.25 C ATOM 1561 CE LYS A 100 31.265 4.859 9.294 1.00 13.01 C ATOM 1562 NZ LYS A 100 31.152 6.183 9.966 1.00 3.04 N ATOM 0 H LYS A 100 29.784 0.286 7.440 1.00 52.52 H new ATOM 0 HA LYS A 100 32.378 1.296 7.052 1.00 22.40 H new ATOM 0 HB2 LYS A 100 30.570 2.480 8.241 1.00 64.34 H new ATOM 0 HB3 LYS A 100 30.565 1.259 9.498 1.00 64.34 H new ATOM 0 HG2 LYS A 100 32.744 1.912 10.277 1.00 33.24 H new ATOM 0 HG3 LYS A 100 33.030 2.907 8.863 1.00 33.24 H new ATOM 0 HD2 LYS A 100 30.770 3.440 10.828 1.00 24.25 H new ATOM 0 HD3 LYS A 100 32.364 4.149 10.996 1.00 24.25 H new ATOM 0 HE2 LYS A 100 32.009 4.917 8.500 1.00 13.01 H new ATOM 0 HE3 LYS A 100 30.315 4.609 8.822 1.00 13.01 H new ATOM 0 HZ1 LYS A 100 30.887 6.906 9.267 1.00 3.04 H new ATOM 0 HZ2 LYS A 100 30.424 6.135 10.707 1.00 3.04 H new ATOM 0 HZ3 LYS A 100 32.066 6.434 10.394 1.00 3.04 H new ATOM 1576 N ASN A 101 32.156 -1.331 8.966 1.00 75.22 N ATOM 1577 CA ASN A 101 32.926 -2.339 9.685 1.00 63.35 C ATOM 1578 C ASN A 101 34.044 -2.897 8.808 1.00 53.20 C ATOM 1579 O ASN A 101 34.980 -3.526 9.301 1.00 3.54 O ATOM 1580 CB ASN A 101 32.012 -3.475 10.149 1.00 62.13 C ATOM 1581 CG ASN A 101 31.061 -3.040 11.247 1.00 4.20 C ATOM 1582 OD1 ASN A 101 31.309 -3.280 12.429 1.00 40.31 O ATOM 1583 ND2 ASN A 101 29.966 -2.396 10.860 1.00 21.24 N ATOM 0 H ASN A 101 31.175 -1.572 8.824 1.00 75.22 H new ATOM 0 HA ASN A 101 33.375 -1.864 10.557 1.00 63.35 H new ATOM 0 HB2 ASN A 101 31.437 -3.845 9.300 1.00 62.13 H new ATOM 0 HB3 ASN A 101 32.621 -4.305 10.507 1.00 62.13 H new ATOM 0 HD21 ASN A 101 29.289 -2.078 11.554 1.00 21.24 H new ATOM 0 HD22 ASN A 101 29.802 -2.219 9.869 1.00 21.24 H new ATOM 1590 N LYS A 102 33.939 -2.662 7.504 1.00 12.35 N ATOM 1591 CA LYS A 102 34.940 -3.138 6.558 1.00 42.34 C ATOM 1592 C LYS A 102 35.955 -2.043 6.242 1.00 34.13 C ATOM 1593 O LYS A 102 36.949 -2.283 5.559 1.00 21.11 O ATOM 1594 CB LYS A 102 34.267 -3.611 5.267 1.00 24.43 C ATOM 1595 CG LYS A 102 34.351 -5.113 5.054 1.00 52.13 C ATOM 1596 CD LYS A 102 34.485 -5.460 3.580 1.00 11.14 C ATOM 1597 CE LYS A 102 34.600 -6.962 3.370 1.00 45.21 C ATOM 1598 NZ LYS A 102 36.020 -7.410 3.337 1.00 43.42 N ATOM 0 H LYS A 102 33.170 -2.144 7.079 1.00 12.35 H new ATOM 0 HA LYS A 102 35.466 -3.976 7.015 1.00 42.34 H new ATOM 0 HB2 LYS A 102 33.219 -3.312 5.283 1.00 24.43 H new ATOM 0 HB3 LYS A 102 34.730 -3.106 4.419 1.00 24.43 H new ATOM 0 HG2 LYS A 102 35.205 -5.512 5.602 1.00 52.13 H new ATOM 0 HG3 LYS A 102 33.460 -5.590 5.462 1.00 52.13 H new ATOM 0 HD2 LYS A 102 33.620 -5.080 3.036 1.00 11.14 H new ATOM 0 HD3 LYS A 102 35.364 -4.965 3.167 1.00 11.14 H new ATOM 0 HE2 LYS A 102 34.074 -7.482 4.170 1.00 45.21 H new ATOM 0 HE3 LYS A 102 34.111 -7.237 2.436 1.00 45.21 H new ATOM 0 HZ1 LYS A 102 36.208 -7.903 2.441 1.00 43.42 H new ATOM 0 HZ2 LYS A 102 36.647 -6.584 3.416 1.00 43.42 H new ATOM 0 HZ3 LYS A 102 36.199 -8.057 4.132 1.00 43.42 H new ATOM 1612 N GLY A 103 35.696 -0.840 6.746 1.00 4.12 N ATOM 1613 CA GLY A 103 36.597 0.273 6.508 1.00 30.12 C ATOM 1614 C GLY A 103 36.110 1.186 5.400 1.00 22.14 C ATOM 1615 O GLY A 103 36.832 1.445 4.437 1.00 21.03 O ATOM 0 H GLY A 103 34.879 -0.616 7.314 1.00 4.12 H new ATOM 0 HA2 GLY A 103 36.709 0.849 7.427 1.00 30.12 H new ATOM 0 HA3 GLY A 103 37.584 -0.111 6.251 1.00 30.12 H new ATOM 1619 N PHE A 104 34.882 1.674 5.535 1.00 13.22 N ATOM 1620 CA PHE A 104 34.298 2.562 4.536 1.00 32.32 C ATOM 1621 C PHE A 104 33.496 3.676 5.201 1.00 13.43 C ATOM 1622 O PHE A 104 33.093 3.562 6.359 1.00 22.12 O ATOM 1623 CB PHE A 104 33.400 1.771 3.583 1.00 34.50 C ATOM 1624 CG PHE A 104 34.150 0.793 2.725 1.00 23.51 C ATOM 1625 CD1 PHE A 104 34.607 -0.404 3.253 1.00 74.50 C ATOM 1626 CD2 PHE A 104 34.400 1.071 1.391 1.00 61.51 C ATOM 1627 CE1 PHE A 104 35.297 -1.307 2.466 1.00 4.12 C ATOM 1628 CE2 PHE A 104 35.090 0.172 0.599 1.00 31.12 C ATOM 1629 CZ PHE A 104 35.540 -1.018 1.138 1.00 42.33 C ATOM 0 H PHE A 104 34.272 1.470 6.326 1.00 13.22 H new ATOM 0 HA PHE A 104 35.111 3.013 3.968 1.00 32.32 H new ATOM 0 HB2 PHE A 104 32.652 1.232 4.165 1.00 34.50 H new ATOM 0 HB3 PHE A 104 32.863 2.468 2.940 1.00 34.50 H new ATOM 0 HD1 PHE A 104 34.422 -0.634 4.292 1.00 74.50 H new ATOM 0 HD2 PHE A 104 34.052 2.000 0.965 1.00 61.51 H new ATOM 0 HE1 PHE A 104 35.646 -2.237 2.889 1.00 4.12 H new ATOM 0 HE2 PHE A 104 35.277 0.400 -0.440 1.00 31.12 H new ATOM 0 HZ PHE A 104 36.081 -1.721 0.522 1.00 42.33 H new ATOM 1639 N LYS A 105 33.267 4.756 4.461 1.00 63.44 N ATOM 1640 CA LYS A 105 32.513 5.892 4.976 1.00 42.23 C ATOM 1641 C LYS A 105 31.020 5.717 4.716 1.00 43.53 C ATOM 1642 O LYS A 105 30.614 5.285 3.637 1.00 63.10 O ATOM 1643 CB LYS A 105 33.005 7.191 4.332 1.00 22.35 C ATOM 1644 CG LYS A 105 32.245 8.423 4.791 1.00 35.10 C ATOM 1645 CD LYS A 105 32.560 8.767 6.237 1.00 43.11 C ATOM 1646 CE LYS A 105 33.762 9.694 6.340 1.00 62.44 C ATOM 1647 NZ LYS A 105 33.444 11.070 5.868 1.00 35.22 N ATOM 0 H LYS A 105 33.594 4.868 3.501 1.00 63.44 H new ATOM 0 HA LYS A 105 32.673 5.944 6.053 1.00 42.23 H new ATOM 0 HB2 LYS A 105 34.063 7.321 4.559 1.00 22.35 H new ATOM 0 HB3 LYS A 105 32.920 7.105 3.249 1.00 22.35 H new ATOM 0 HG2 LYS A 105 32.500 9.268 4.151 1.00 35.10 H new ATOM 0 HG3 LYS A 105 31.174 8.252 4.682 1.00 35.10 H new ATOM 0 HD2 LYS A 105 31.693 9.241 6.697 1.00 43.11 H new ATOM 0 HD3 LYS A 105 32.756 7.852 6.796 1.00 43.11 H new ATOM 0 HE2 LYS A 105 34.101 9.735 7.375 1.00 62.44 H new ATOM 0 HE3 LYS A 105 34.584 9.289 5.750 1.00 62.44 H new ATOM 0 HZ1 LYS A 105 34.151 11.736 6.240 1.00 35.22 H new ATOM 0 HZ2 LYS A 105 33.460 11.093 4.828 1.00 35.22 H new ATOM 0 HZ3 LYS A 105 32.499 11.343 6.206 1.00 35.22 H new ATOM 1661 N VAL A 106 30.207 6.058 5.710 1.00 1.05 N ATOM 1662 CA VAL A 106 28.759 5.941 5.588 1.00 11.21 C ATOM 1663 C VAL A 106 28.088 7.308 5.671 1.00 24.24 C ATOM 1664 O VAL A 106 28.332 8.073 6.604 1.00 52.24 O ATOM 1665 CB VAL A 106 28.175 5.028 6.682 1.00 21.40 C ATOM 1666 CG1 VAL A 106 26.678 4.845 6.483 1.00 41.21 C ATOM 1667 CG2 VAL A 106 28.888 3.684 6.690 1.00 72.34 C ATOM 0 H VAL A 106 30.527 6.418 6.609 1.00 1.05 H new ATOM 0 HA VAL A 106 28.559 5.499 4.612 1.00 11.21 H new ATOM 0 HB VAL A 106 28.333 5.504 7.650 1.00 21.40 H new ATOM 0 HG11 VAL A 106 26.283 4.197 7.266 1.00 41.21 H new ATOM 0 HG12 VAL A 106 26.183 5.815 6.531 1.00 41.21 H new ATOM 0 HG13 VAL A 106 26.493 4.392 5.509 1.00 41.21 H new ATOM 0 HG21 VAL A 106 28.463 3.051 7.469 1.00 72.34 H new ATOM 0 HG22 VAL A 106 28.763 3.200 5.721 1.00 72.34 H new ATOM 0 HG23 VAL A 106 29.949 3.836 6.885 1.00 72.34 H new ATOM 1677 N GLU A 107 27.242 7.607 4.690 1.00 25.34 N ATOM 1678 CA GLU A 107 26.537 8.882 4.653 1.00 13.24 C ATOM 1679 C GLU A 107 25.040 8.670 4.444 1.00 41.01 C ATOM 1680 O GLU A 107 24.626 7.841 3.633 1.00 32.32 O ATOM 1681 CB GLU A 107 27.098 9.769 3.540 1.00 60.22 C ATOM 1682 CG GLU A 107 26.329 11.065 3.348 1.00 41.20 C ATOM 1683 CD GLU A 107 27.144 12.126 2.634 1.00 55.41 C ATOM 1684 OE1 GLU A 107 28.276 12.405 3.079 1.00 3.20 O ATOM 1685 OE2 GLU A 107 26.647 12.678 1.629 1.00 23.02 O ATOM 0 H GLU A 107 27.029 6.984 3.911 1.00 25.34 H new ATOM 0 HA GLU A 107 26.686 9.378 5.612 1.00 13.24 H new ATOM 0 HB2 GLU A 107 28.139 10.004 3.764 1.00 60.22 H new ATOM 0 HB3 GLU A 107 27.091 9.211 2.604 1.00 60.22 H new ATOM 0 HG2 GLU A 107 25.422 10.864 2.778 1.00 41.20 H new ATOM 0 HG3 GLU A 107 26.017 11.445 4.321 1.00 41.20 H new ATOM 1692 N THR A 108 24.232 9.426 5.182 1.00 62.55 N ATOM 1693 CA THR A 108 22.782 9.320 5.079 1.00 3.10 C ATOM 1694 C THR A 108 22.164 10.643 4.641 1.00 4.15 C ATOM 1695 O THR A 108 22.490 11.700 5.183 1.00 55.14 O ATOM 1696 CB THR A 108 22.154 8.891 6.419 1.00 41.25 C ATOM 1697 OG1 THR A 108 22.662 9.706 7.481 1.00 51.11 O ATOM 1698 CG2 THR A 108 22.448 7.428 6.710 1.00 24.52 C ATOM 0 H THR A 108 24.558 10.118 5.857 1.00 62.55 H new ATOM 0 HA THR A 108 22.573 8.558 4.328 1.00 3.10 H new ATOM 0 HB THR A 108 21.074 9.021 6.347 1.00 41.25 H new ATOM 0 HG1 THR A 108 22.257 9.428 8.329 1.00 51.11 H new ATOM 0 HG21 THR A 108 21.995 7.148 7.661 1.00 24.52 H new ATOM 0 HG22 THR A 108 22.034 6.808 5.914 1.00 24.52 H new ATOM 0 HG23 THR A 108 23.526 7.277 6.764 1.00 24.52 H new ATOM 1706 N ASP A 109 21.272 10.578 3.660 1.00 73.31 N ATOM 1707 CA ASP A 109 20.606 11.771 3.151 1.00 43.33 C ATOM 1708 C ASP A 109 19.114 11.521 2.957 1.00 20.22 C ATOM 1709 O ASP A 109 18.687 10.385 2.752 1.00 50.11 O ATOM 1710 CB ASP A 109 21.238 12.209 1.828 1.00 24.44 C ATOM 1711 CG ASP A 109 21.004 13.677 1.532 1.00 31.22 C ATOM 1712 OD1 ASP A 109 21.482 14.523 2.316 1.00 42.44 O ATOM 1713 OD2 ASP A 109 20.341 13.979 0.517 1.00 4.45 O ATOM 0 H ASP A 109 20.993 9.711 3.201 1.00 73.31 H new ATOM 0 HA ASP A 109 20.730 12.567 3.886 1.00 43.33 H new ATOM 0 HB2 ASP A 109 22.310 12.014 1.859 1.00 24.44 H new ATOM 0 HB3 ASP A 109 20.828 11.608 1.016 1.00 24.44 H new ATOM 1718 N MET A 110 18.326 12.589 3.025 1.00 22.04 N ATOM 1719 CA MET A 110 16.881 12.484 2.857 1.00 3.35 C ATOM 1720 C MET A 110 16.331 13.697 2.114 1.00 2.42 C ATOM 1721 O MET A 110 16.888 14.793 2.195 1.00 12.12 O ATOM 1722 CB MET A 110 16.196 12.352 4.219 1.00 4.11 C ATOM 1723 CG MET A 110 16.823 11.296 5.115 1.00 45.03 C ATOM 1724 SD MET A 110 15.793 10.892 6.538 1.00 22.22 S ATOM 1725 CE MET A 110 16.360 12.110 7.723 1.00 54.01 C ATOM 0 H MET A 110 18.663 13.536 3.195 1.00 22.04 H new ATOM 0 HA MET A 110 16.673 11.592 2.266 1.00 3.35 H new ATOM 0 HB2 MET A 110 16.229 13.315 4.728 1.00 4.11 H new ATOM 0 HB3 MET A 110 15.145 12.109 4.066 1.00 4.11 H new ATOM 0 HG2 MET A 110 17.003 10.392 4.533 1.00 45.03 H new ATOM 0 HG3 MET A 110 17.794 11.650 5.463 1.00 45.03 H new ATOM 0 HE1 MET A 110 15.815 11.988 8.659 1.00 54.01 H new ATOM 0 HE2 MET A 110 17.426 11.973 7.904 1.00 54.01 H new ATOM 0 HE3 MET A 110 16.185 13.111 7.328 1.00 54.01 H new TER 1735 MET A 110