USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 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 10 SER OG : rot 158:sc= 0.716 USER MOD Set 1.2: A 71 ASN : amide:sc=-0.00434 K(o=0.71,f=-0.73) USER MOD Set 2.1: A 4 CYS SG : rot 170:sc= 0.506 USER MOD Set 2.2: A 64 THR OG1 : rot -82:sc= -1.48! USER MOD Single : A 1 MET CE :methyl -119:sc= -6.73! (180deg=-9.89!) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.275 (180deg=0.223) USER MOD Single : A 2 THR OG1 : rot 112:sc= 0.597 USER MOD Single : A 6 MET CE :methyl -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 7 TYR OH : rot 130:sc= -0.71 USER MOD Single : A 8 ASN : amide:sc= -1.67 K(o=-1.7,f=-5!) 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=-0.00227 X(o=-0.0023,f=-0.034) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 147:sc= 0.128 USER MOD Single : A 23 MET CE :methyl 175:sc= -1.77 (180deg=-1.98) USER MOD Single : A 29 SER OG : rot 83:sc= 1.23 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.736 X(o=-0.74,f=-0.85) USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00709 USER MOD Single : A 45 MET CE :methyl -129:sc= -2.34 (180deg=-6.32!) USER MOD Single : A 46 MET CE :methyl -169:sc= 0 (180deg=-0.143) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 23:sc= 1.59 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 74 LYS NZ :NH3+ -162:sc= -0.0302 (180deg=-0.296) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= -10.1! (180deg=-10.1!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc=-0.00314 K(o=-0.0031,f=-1.3) USER MOD Single : A 88 MET CE :methyl 175:sc= -6.56! (180deg=-6.85!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -53:sc= 1.59 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= -0.0155 (180deg=-0.167) USER MOD Single : A 101 ASN : amide:sc= -0.285 K(o=-0.29,f=-3.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -143:sc= 0.945 (180deg=-0.0538) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.453 -0.663 -1.044 1.00 13.40 C ATOM 4 O MET A 1 3.878 -0.906 0.086 1.00 41.31 O ATOM 5 CB MET A 1 2.278 1.430 -1.753 1.00 22.52 C ATOM 6 CG MET A 1 2.298 2.472 -0.647 1.00 31.15 C ATOM 7 SD MET A 1 3.617 2.190 0.550 1.00 50.10 S ATOM 8 CE MET A 1 5.033 2.038 -0.536 1.00 52.25 C ATOM 0 H1 MET A 1 0.429 0.500 -0.146 1.00 0.00 H new ATOM 0 H2 MET A 1 1.137 -0.980 0.290 1.00 0.00 H new ATOM 0 H3 MET A 1 1.875 0.481 0.743 1.00 0.00 H new ATOM 0 HA MET A 1 1.535 -0.574 -1.982 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.211 1.489 -2.314 1.00 22.52 H new ATOM 0 HB3 MET A 1 1.473 1.666 -2.449 1.00 22.52 H new ATOM 0 HG2 MET A 1 2.418 3.462 -1.088 1.00 31.15 H new ATOM 0 HG3 MET A 1 1.338 2.467 -0.131 1.00 31.15 H new ATOM 0 HE1 MET A 1 5.477 1.050 -0.418 1.00 52.25 H new ATOM 0 HE2 MET A 1 4.715 2.172 -1.570 1.00 52.25 H new ATOM 0 HE3 MET A 1 5.770 2.800 -0.282 1.00 52.25 H new ATOM 18 N THR A 2 4.132 -0.953 -2.150 1.00 12.34 N ATOM 19 CA THR A 2 5.442 -1.588 -2.097 1.00 5.30 C ATOM 20 C THR A 2 6.551 -0.587 -2.403 1.00 71.02 C ATOM 21 O THR A 2 6.484 0.147 -3.390 1.00 71.55 O ATOM 22 CB THR A 2 5.538 -2.762 -3.089 1.00 41.03 C ATOM 23 OG1 THR A 2 4.236 -3.306 -3.331 1.00 31.41 O ATOM 24 CG2 THR A 2 6.457 -3.850 -2.554 1.00 13.25 C ATOM 0 H THR A 2 3.796 -0.758 -3.093 1.00 12.34 H new ATOM 0 HA THR A 2 5.568 -1.968 -1.083 1.00 5.30 H new ATOM 0 HB THR A 2 5.954 -2.386 -4.024 1.00 41.03 H new ATOM 0 HG1 THR A 2 3.969 -3.118 -4.255 1.00 31.41 H new ATOM 0 HG21 THR A 2 6.509 -4.668 -3.272 1.00 13.25 H new ATOM 0 HG22 THR A 2 7.455 -3.440 -2.399 1.00 13.25 H new ATOM 0 HG23 THR A 2 6.067 -4.223 -1.607 1.00 13.25 H new ATOM 32 N LEU A 3 7.570 -0.562 -1.552 1.00 4.21 N ATOM 33 CA LEU A 3 8.695 0.349 -1.732 1.00 43.42 C ATOM 34 C LEU A 3 9.965 -0.417 -2.090 1.00 52.20 C ATOM 35 O LEU A 3 10.322 -1.391 -1.426 1.00 51.30 O ATOM 36 CB LEU A 3 8.922 1.169 -0.461 1.00 20.14 C ATOM 37 CG LEU A 3 9.005 2.685 -0.645 1.00 25.40 C ATOM 38 CD1 LEU A 3 8.044 3.144 -1.730 1.00 43.02 C ATOM 39 CD2 LEU A 3 8.712 3.398 0.667 1.00 45.33 C ATOM 0 H LEU A 3 7.641 -1.162 -0.730 1.00 4.21 H new ATOM 0 HA LEU A 3 8.456 1.023 -2.554 1.00 43.42 H new ATOM 0 HB2 LEU A 3 8.113 0.952 0.237 1.00 20.14 H new ATOM 0 HB3 LEU A 3 9.846 0.829 0.006 1.00 20.14 H new ATOM 0 HG LEU A 3 10.018 2.940 -0.955 1.00 25.40 H new ATOM 0 HD11 LEU A 3 8.117 4.225 -1.847 1.00 43.02 H new ATOM 0 HD12 LEU A 3 8.300 2.659 -2.672 1.00 43.02 H new ATOM 0 HD13 LEU A 3 7.025 2.877 -1.450 1.00 43.02 H new ATOM 0 HD21 LEU A 3 8.775 4.476 0.517 1.00 45.33 H new ATOM 0 HD22 LEU A 3 7.710 3.137 1.007 1.00 45.33 H new ATOM 0 HD23 LEU A 3 9.441 3.092 1.418 1.00 45.33 H new ATOM 51 N CYS A 4 10.643 0.030 -3.141 1.00 52.31 N ATOM 52 CA CYS A 4 11.874 -0.612 -3.587 1.00 21.44 C ATOM 53 C CYS A 4 13.030 0.382 -3.607 1.00 1.32 C ATOM 54 O CYS A 4 12.819 1.595 -3.617 1.00 33.54 O ATOM 55 CB CYS A 4 11.683 -1.219 -4.977 1.00 71.14 C ATOM 56 SG CYS A 4 11.959 -0.056 -6.334 1.00 74.32 S ATOM 0 H CYS A 4 10.361 0.835 -3.700 1.00 52.31 H new ATOM 0 HA CYS A 4 12.115 -1.407 -2.882 1.00 21.44 H new ATOM 0 HB2 CYS A 4 12.365 -2.062 -5.091 1.00 71.14 H new ATOM 0 HB3 CYS A 4 10.671 -1.616 -5.053 1.00 71.14 H new ATOM 0 HG CYS A 4 11.985 -0.703 -7.461 1.00 74.32 H new ATOM 62 N ALA A 5 14.253 -0.139 -3.611 1.00 75.24 N ATOM 63 CA ALA A 5 15.442 0.703 -3.631 1.00 21.13 C ATOM 64 C ALA A 5 16.517 0.114 -4.539 1.00 14.42 C ATOM 65 O ALA A 5 16.688 -1.102 -4.605 1.00 60.42 O ATOM 66 CB ALA A 5 15.982 0.885 -2.220 1.00 45.31 C ATOM 0 H ALA A 5 14.446 -1.141 -3.601 1.00 75.24 H new ATOM 0 HA ALA A 5 15.161 1.678 -4.030 1.00 21.13 H new ATOM 0 HB1 ALA A 5 16.870 1.516 -2.249 1.00 45.31 H new ATOM 0 HB2 ALA A 5 15.222 1.357 -1.598 1.00 45.31 H new ATOM 0 HB3 ALA A 5 16.241 -0.087 -1.801 1.00 45.31 H new ATOM 72 N MET A 6 17.237 0.986 -5.237 1.00 51.02 N ATOM 73 CA MET A 6 18.295 0.551 -6.141 1.00 44.53 C ATOM 74 C MET A 6 19.661 1.013 -5.642 1.00 13.12 C ATOM 75 O MET A 6 19.880 2.203 -5.416 1.00 52.51 O ATOM 76 CB MET A 6 18.045 1.092 -7.551 1.00 25.04 C ATOM 77 CG MET A 6 17.932 2.607 -7.609 1.00 62.33 C ATOM 78 SD MET A 6 17.243 3.192 -9.169 1.00 61.23 S ATOM 79 CE MET A 6 18.580 2.804 -10.297 1.00 1.45 C ATOM 0 H MET A 6 17.107 1.997 -5.194 1.00 51.02 H new ATOM 0 HA MET A 6 18.288 -0.539 -6.171 1.00 44.53 H new ATOM 0 HB2 MET A 6 18.857 0.771 -8.204 1.00 25.04 H new ATOM 0 HB3 MET A 6 17.128 0.652 -7.943 1.00 25.04 H new ATOM 0 HG2 MET A 6 17.305 2.953 -6.787 1.00 62.33 H new ATOM 0 HG3 MET A 6 18.919 3.047 -7.464 1.00 62.33 H new ATOM 0 HE1 MET A 6 18.334 3.171 -11.293 1.00 1.45 H new ATOM 0 HE2 MET A 6 19.498 3.280 -9.951 1.00 1.45 H new ATOM 0 HE3 MET A 6 18.723 1.724 -10.334 1.00 1.45 H new ATOM 89 N TYR A 7 20.575 0.065 -5.471 1.00 33.52 N ATOM 90 CA TYR A 7 21.918 0.374 -4.995 1.00 52.12 C ATOM 91 C TYR A 7 22.969 -0.063 -6.010 1.00 45.03 C ATOM 92 O TYR A 7 22.843 -1.113 -6.639 1.00 13.21 O ATOM 93 CB TYR A 7 22.176 -0.309 -3.651 1.00 15.20 C ATOM 94 CG TYR A 7 22.499 -1.781 -3.772 1.00 0.22 C ATOM 95 CD1 TYR A 7 21.488 -2.727 -3.884 1.00 32.31 C ATOM 96 CD2 TYR A 7 23.815 -2.225 -3.773 1.00 23.41 C ATOM 97 CE1 TYR A 7 21.778 -4.073 -3.994 1.00 24.42 C ATOM 98 CE2 TYR A 7 24.115 -3.569 -3.884 1.00 22.21 C ATOM 99 CZ TYR A 7 23.094 -4.489 -3.994 1.00 35.32 C ATOM 100 OH TYR A 7 23.388 -5.829 -4.103 1.00 62.01 O ATOM 0 H TYR A 7 20.410 -0.925 -5.655 1.00 33.52 H new ATOM 0 HA TYR A 7 21.990 1.454 -4.866 1.00 52.12 H new ATOM 0 HB2 TYR A 7 23.002 0.195 -3.149 1.00 15.20 H new ATOM 0 HB3 TYR A 7 21.297 -0.189 -3.018 1.00 15.20 H new ATOM 0 HD1 TYR A 7 20.457 -2.404 -3.885 1.00 32.31 H new ATOM 0 HD2 TYR A 7 24.617 -1.507 -3.686 1.00 23.41 H new ATOM 0 HE1 TYR A 7 20.980 -4.796 -4.079 1.00 24.42 H new ATOM 0 HE2 TYR A 7 25.144 -3.897 -3.885 1.00 22.21 H new ATOM 0 HH TYR A 7 24.057 -5.961 -4.807 1.00 62.01 H new ATOM 110 N ASN A 8 24.009 0.751 -6.164 1.00 13.32 N ATOM 111 CA ASN A 8 25.084 0.450 -7.102 1.00 73.11 C ATOM 112 C ASN A 8 26.415 0.296 -6.373 1.00 0.21 C ATOM 113 O ASN A 8 26.751 1.095 -5.499 1.00 1.45 O ATOM 114 CB ASN A 8 25.192 1.553 -8.157 1.00 72.43 C ATOM 115 CG ASN A 8 25.865 2.802 -7.622 1.00 34.45 C ATOM 116 OD1 ASN A 8 25.198 3.738 -7.181 1.00 5.43 O ATOM 117 ND2 ASN A 8 27.192 2.820 -7.658 1.00 11.33 N ATOM 0 H ASN A 8 24.130 1.624 -5.651 1.00 13.32 H new ATOM 0 HA ASN A 8 24.849 -0.493 -7.595 1.00 73.11 H new ATOM 0 HB2 ASN A 8 25.754 1.179 -9.013 1.00 72.43 H new ATOM 0 HB3 ASN A 8 24.195 1.807 -8.517 1.00 72.43 H new ATOM 0 HD21 ASN A 8 27.701 3.633 -7.311 1.00 11.33 H new ATOM 0 HD22 ASN A 8 27.703 2.021 -8.033 1.00 11.33 H new ATOM 124 N ILE A 9 27.168 -0.735 -6.739 1.00 62.33 N ATOM 125 CA ILE A 9 28.463 -0.993 -6.121 1.00 41.44 C ATOM 126 C ILE A 9 29.595 -0.834 -7.131 1.00 0.32 C ATOM 127 O ILE A 9 29.542 -1.385 -8.230 1.00 40.32 O ATOM 128 CB ILE A 9 28.526 -2.407 -5.514 1.00 43.45 C ATOM 129 CG1 ILE A 9 27.865 -3.418 -6.453 1.00 33.02 C ATOM 130 CG2 ILE A 9 27.857 -2.427 -4.148 1.00 43.12 C ATOM 131 CD1 ILE A 9 26.376 -3.567 -6.228 1.00 23.44 C ATOM 0 H ILE A 9 26.904 -1.406 -7.461 1.00 62.33 H new ATOM 0 HA ILE A 9 28.584 -0.259 -5.324 1.00 41.44 H new ATOM 0 HB ILE A 9 29.572 -2.687 -5.388 1.00 43.45 H new ATOM 0 HG12 ILE A 9 28.040 -3.112 -7.484 1.00 33.02 H new ATOM 0 HG13 ILE A 9 28.343 -4.389 -6.323 1.00 33.02 H new ATOM 0 HG21 ILE A 9 27.910 -3.433 -3.732 1.00 43.12 H new ATOM 0 HG22 ILE A 9 28.368 -1.732 -3.482 1.00 43.12 H new ATOM 0 HG23 ILE A 9 26.813 -2.131 -4.250 1.00 43.12 H new ATOM 0 HD11 ILE A 9 25.974 -4.299 -6.928 1.00 23.44 H new ATOM 0 HD12 ILE A 9 26.194 -3.903 -5.207 1.00 23.44 H new ATOM 0 HD13 ILE A 9 25.886 -2.606 -6.387 1.00 23.44 H new ATOM 143 N SER A 10 30.620 -0.078 -6.749 1.00 15.13 N ATOM 144 CA SER A 10 31.765 0.155 -7.621 1.00 55.40 C ATOM 145 C SER A 10 33.007 -0.552 -7.088 1.00 12.44 C ATOM 146 O SER A 10 33.419 -0.331 -5.949 1.00 42.34 O ATOM 147 CB SER A 10 32.035 1.655 -7.753 1.00 54.40 C ATOM 148 OG SER A 10 30.841 2.404 -7.602 1.00 31.15 O ATOM 0 H SER A 10 30.680 0.383 -5.841 1.00 15.13 H new ATOM 0 HA SER A 10 31.530 -0.253 -8.604 1.00 55.40 H new ATOM 0 HB2 SER A 10 32.760 1.965 -7.000 1.00 54.40 H new ATOM 0 HB3 SER A 10 32.478 1.864 -8.727 1.00 54.40 H new ATOM 0 HG SER A 10 31.062 3.322 -7.338 1.00 31.15 H new ATOM 154 N MET A 11 33.598 -1.403 -7.919 1.00 44.13 N ATOM 155 CA MET A 11 34.794 -2.142 -7.532 1.00 65.04 C ATOM 156 C MET A 11 36.053 -1.331 -7.824 1.00 51.12 C ATOM 157 O MET A 11 37.163 -1.753 -7.503 1.00 21.23 O ATOM 158 CB MET A 11 34.854 -3.481 -8.271 1.00 12.32 C ATOM 159 CG MET A 11 35.074 -3.339 -9.768 1.00 61.52 C ATOM 160 SD MET A 11 33.613 -3.779 -10.730 1.00 3.34 S ATOM 161 CE MET A 11 33.995 -3.003 -12.298 1.00 73.34 C ATOM 0 H MET A 11 33.269 -1.598 -8.864 1.00 44.13 H new ATOM 0 HA MET A 11 34.744 -2.329 -6.459 1.00 65.04 H new ATOM 0 HB2 MET A 11 35.658 -4.084 -7.849 1.00 12.32 H new ATOM 0 HB3 MET A 11 33.925 -4.024 -8.098 1.00 12.32 H new ATOM 0 HG2 MET A 11 35.357 -2.311 -9.994 1.00 61.52 H new ATOM 0 HG3 MET A 11 35.908 -3.973 -10.070 1.00 61.52 H new ATOM 0 HE1 MET A 11 33.183 -3.186 -13.002 1.00 73.34 H new ATOM 0 HE2 MET A 11 34.114 -1.929 -12.153 1.00 73.34 H new ATOM 0 HE3 MET A 11 34.920 -3.421 -12.695 1.00 73.34 H new ATOM 171 N ALA A 12 35.871 -0.165 -8.435 1.00 45.23 N ATOM 172 CA ALA A 12 36.992 0.706 -8.769 1.00 22.45 C ATOM 173 C ALA A 12 36.517 1.960 -9.493 1.00 55.14 C ATOM 174 O ALA A 12 35.327 2.274 -9.495 1.00 41.24 O ATOM 175 CB ALA A 12 38.008 -0.044 -9.618 1.00 1.21 C ATOM 0 H ALA A 12 34.958 0.199 -8.709 1.00 45.23 H new ATOM 0 HA ALA A 12 37.469 1.015 -7.839 1.00 22.45 H new ATOM 0 HB1 ALA A 12 38.839 0.618 -9.860 1.00 1.21 H new ATOM 0 HB2 ALA A 12 38.380 -0.906 -9.064 1.00 1.21 H new ATOM 0 HB3 ALA A 12 37.534 -0.382 -10.539 1.00 1.21 H new ATOM 181 N GLY A 13 37.454 2.675 -10.108 1.00 64.41 N ATOM 182 CA GLY A 13 37.111 3.887 -10.827 1.00 52.42 C ATOM 183 C GLY A 13 36.622 3.608 -12.235 1.00 11.25 C ATOM 184 O GLY A 13 36.998 4.303 -13.179 1.00 34.13 O ATOM 0 H GLY A 13 38.445 2.436 -10.121 1.00 64.41 H new ATOM 0 HA2 GLY A 13 36.339 4.425 -10.278 1.00 52.42 H new ATOM 0 HA3 GLY A 13 37.984 4.539 -10.871 1.00 52.42 H new ATOM 188 N SER A 14 35.783 2.587 -12.376 1.00 53.22 N ATOM 189 CA SER A 14 35.246 2.214 -13.680 1.00 10.14 C ATOM 190 C SER A 14 33.741 1.975 -13.599 1.00 42.55 C ATOM 191 O SER A 14 33.196 1.735 -12.522 1.00 74.20 O ATOM 192 CB SER A 14 35.946 0.958 -14.202 1.00 52.03 C ATOM 193 OG SER A 14 35.749 0.808 -15.598 1.00 32.34 O ATOM 0 H SER A 14 35.460 2.003 -11.604 1.00 53.22 H new ATOM 0 HA SER A 14 35.429 3.037 -14.371 1.00 10.14 H new ATOM 0 HB2 SER A 14 37.013 1.016 -13.986 1.00 52.03 H new ATOM 0 HB3 SER A 14 35.563 0.081 -13.681 1.00 52.03 H new ATOM 0 HG SER A 14 36.207 -0.001 -15.908 1.00 32.34 H new ATOM 199 N HIS A 15 33.075 2.044 -14.748 1.00 45.10 N ATOM 200 CA HIS A 15 31.633 1.835 -14.809 1.00 42.23 C ATOM 201 C HIS A 15 31.181 0.849 -13.736 1.00 51.33 C ATOM 202 O HIS A 15 31.369 -0.362 -13.853 1.00 13.20 O ATOM 203 CB HIS A 15 31.229 1.323 -16.192 1.00 62.11 C ATOM 204 CG HIS A 15 31.437 2.324 -17.286 1.00 43.22 C ATOM 205 ND1 HIS A 15 30.904 3.595 -17.255 1.00 13.44 N ATOM 206 CD2 HIS A 15 32.127 2.236 -18.447 1.00 42.24 C ATOM 207 CE1 HIS A 15 31.255 4.245 -18.350 1.00 11.33 C ATOM 208 NE2 HIS A 15 31.998 3.443 -19.090 1.00 62.11 N ATOM 0 H HIS A 15 33.511 2.243 -15.648 1.00 45.10 H new ATOM 0 HA HIS A 15 31.144 2.792 -14.627 1.00 42.23 H new ATOM 0 HB2 HIS A 15 31.802 0.424 -16.419 1.00 62.11 H new ATOM 0 HB3 HIS A 15 30.178 1.034 -16.171 1.00 62.11 H new ATOM 0 HD2 HIS A 15 32.677 1.377 -18.802 1.00 42.24 H new ATOM 0 HE1 HIS A 15 30.981 5.260 -18.598 1.00 11.33 H new ATOM 0 HE2 HIS A 15 32.409 3.681 -19.993 1.00 62.11 H new ATOM 216 N PRO A 16 30.571 1.378 -12.665 1.00 43.21 N ATOM 217 CA PRO A 16 30.080 0.562 -11.551 1.00 1.34 C ATOM 218 C PRO A 16 28.874 -0.286 -11.940 1.00 42.34 C ATOM 219 O PRO A 16 28.412 -0.241 -13.081 1.00 44.42 O ATOM 220 CB PRO A 16 29.686 1.601 -10.498 1.00 35.14 C ATOM 221 CG PRO A 16 29.386 2.835 -11.276 1.00 41.14 C ATOM 222 CD PRO A 16 30.314 2.813 -12.459 1.00 51.55 C ATOM 0 HA PRO A 16 30.829 -0.151 -11.207 1.00 1.34 H new ATOM 0 HB2 PRO A 16 28.819 1.274 -9.925 1.00 35.14 H new ATOM 0 HB3 PRO A 16 30.494 1.769 -9.786 1.00 35.14 H new ATOM 0 HG2 PRO A 16 28.344 2.851 -11.597 1.00 41.14 H new ATOM 0 HG3 PRO A 16 29.546 3.727 -10.670 1.00 41.14 H new ATOM 0 HD2 PRO A 16 29.857 3.269 -13.337 1.00 51.55 H new ATOM 0 HD3 PRO A 16 31.234 3.361 -12.258 1.00 51.55 H new ATOM 230 N THR A 17 28.367 -1.059 -10.986 1.00 32.34 N ATOM 231 CA THR A 17 27.215 -1.918 -11.229 1.00 71.14 C ATOM 232 C THR A 17 26.015 -1.478 -10.399 1.00 0.52 C ATOM 233 O THR A 17 26.101 -1.364 -9.176 1.00 10.54 O ATOM 234 CB THR A 17 27.534 -3.391 -10.909 1.00 1.54 C ATOM 235 OG1 THR A 17 28.647 -3.833 -11.693 1.00 42.34 O ATOM 236 CG2 THR A 17 26.329 -4.278 -11.183 1.00 42.30 C ATOM 0 H THR A 17 28.736 -1.108 -10.036 1.00 32.34 H new ATOM 0 HA THR A 17 26.973 -1.828 -12.288 1.00 71.14 H new ATOM 0 HB THR A 17 27.785 -3.464 -9.851 1.00 1.54 H new ATOM 0 HG1 THR A 17 28.844 -4.770 -11.482 1.00 42.34 H new ATOM 0 HG21 THR A 17 26.579 -5.313 -10.950 1.00 42.30 H new ATOM 0 HG22 THR A 17 25.493 -3.958 -10.562 1.00 42.30 H new ATOM 0 HG23 THR A 17 26.051 -4.200 -12.234 1.00 42.30 H new ATOM 244 N THR A 18 24.894 -1.231 -11.070 1.00 65.15 N ATOM 245 CA THR A 18 23.677 -0.802 -10.394 1.00 73.43 C ATOM 246 C THR A 18 22.663 -1.938 -10.315 1.00 71.11 C ATOM 247 O THR A 18 22.532 -2.732 -11.248 1.00 0.25 O ATOM 248 CB THR A 18 23.030 0.399 -11.110 1.00 30.24 C ATOM 249 OG1 THR A 18 24.016 1.406 -11.365 1.00 33.40 O ATOM 250 CG2 THR A 18 21.904 0.985 -10.272 1.00 12.31 C ATOM 0 H THR A 18 24.804 -1.321 -12.082 1.00 65.15 H new ATOM 0 HA THR A 18 23.964 -0.503 -9.386 1.00 73.43 H new ATOM 0 HB THR A 18 22.615 0.050 -12.055 1.00 30.24 H new ATOM 0 HG1 THR A 18 23.598 2.165 -11.822 1.00 33.40 H new ATOM 0 HG21 THR A 18 21.462 1.832 -10.797 1.00 12.31 H new ATOM 0 HG22 THR A 18 21.142 0.224 -10.104 1.00 12.31 H new ATOM 0 HG23 THR A 18 22.300 1.320 -9.313 1.00 12.31 H new ATOM 258 N ILE A 19 21.948 -2.010 -9.198 1.00 13.43 N ATOM 259 CA ILE A 19 20.944 -3.048 -8.999 1.00 1.23 C ATOM 260 C ILE A 19 19.697 -2.485 -8.325 1.00 22.21 C ATOM 261 O ILE A 19 19.787 -1.616 -7.457 1.00 31.01 O ATOM 262 CB ILE A 19 21.495 -4.207 -8.148 1.00 32.52 C ATOM 263 CG1 ILE A 19 21.862 -5.394 -9.041 1.00 25.32 C ATOM 264 CG2 ILE A 19 20.476 -4.624 -7.097 1.00 43.32 C ATOM 265 CD1 ILE A 19 22.098 -6.677 -8.274 1.00 43.14 C ATOM 0 H ILE A 19 22.045 -1.362 -8.416 1.00 13.43 H new ATOM 0 HA ILE A 19 20.680 -3.426 -9.987 1.00 1.23 H new ATOM 0 HB ILE A 19 22.396 -3.867 -7.638 1.00 32.52 H new ATOM 0 HG12 ILE A 19 21.063 -5.555 -9.765 1.00 25.32 H new ATOM 0 HG13 ILE A 19 22.760 -5.148 -9.607 1.00 25.32 H new ATOM 0 HG21 ILE A 19 20.880 -5.444 -6.504 1.00 43.32 H new ATOM 0 HG22 ILE A 19 20.258 -3.778 -6.446 1.00 43.32 H new ATOM 0 HG23 ILE A 19 19.559 -4.949 -7.588 1.00 43.32 H new ATOM 0 HD11 ILE A 19 22.354 -7.475 -8.970 1.00 43.14 H new ATOM 0 HD12 ILE A 19 22.917 -6.534 -7.569 1.00 43.14 H new ATOM 0 HD13 ILE A 19 21.193 -6.947 -7.729 1.00 43.14 H new ATOM 277 N CYS A 20 18.536 -2.988 -8.729 1.00 12.43 N ATOM 278 CA CYS A 20 17.269 -2.536 -8.163 1.00 44.01 C ATOM 279 C CYS A 20 16.514 -3.697 -7.525 1.00 22.23 C ATOM 280 O CYS A 20 16.141 -4.655 -8.201 1.00 75.42 O ATOM 281 CB CYS A 20 16.407 -1.884 -9.245 1.00 62.53 C ATOM 282 SG CYS A 20 16.250 -2.867 -10.755 1.00 21.00 S ATOM 0 H CYS A 20 18.445 -3.708 -9.446 1.00 12.43 H new ATOM 0 HA CYS A 20 17.487 -1.799 -7.390 1.00 44.01 H new ATOM 0 HB2 CYS A 20 15.412 -1.699 -8.840 1.00 62.53 H new ATOM 0 HB3 CYS A 20 16.834 -0.914 -9.499 1.00 62.53 H new ATOM 0 HG CYS A 20 15.079 -2.666 -11.284 1.00 21.00 H new ATOM 288 N VAL A 21 16.294 -3.606 -6.217 1.00 10.50 N ATOM 289 CA VAL A 21 15.584 -4.649 -5.486 1.00 50.53 C ATOM 290 C VAL A 21 14.650 -4.049 -4.441 1.00 42.20 C ATOM 291 O VAL A 21 14.940 -3.002 -3.862 1.00 13.31 O ATOM 292 CB VAL A 21 16.563 -5.613 -4.791 1.00 43.30 C ATOM 293 CG1 VAL A 21 17.362 -6.397 -5.821 1.00 31.43 C ATOM 294 CG2 VAL A 21 17.489 -4.849 -3.856 1.00 14.12 C ATOM 0 H VAL A 21 16.597 -2.820 -5.642 1.00 10.50 H new ATOM 0 HA VAL A 21 14.997 -5.205 -6.217 1.00 50.53 H new ATOM 0 HB VAL A 21 15.987 -6.322 -4.196 1.00 43.30 H new ATOM 0 HG11 VAL A 21 18.049 -7.073 -5.311 1.00 31.43 H new ATOM 0 HG12 VAL A 21 16.681 -6.975 -6.447 1.00 31.43 H new ATOM 0 HG13 VAL A 21 17.929 -5.706 -6.444 1.00 31.43 H new ATOM 0 HG21 VAL A 21 18.174 -5.546 -3.373 1.00 14.12 H new ATOM 0 HG22 VAL A 21 18.059 -4.116 -4.427 1.00 14.12 H new ATOM 0 HG23 VAL A 21 16.898 -4.337 -3.097 1.00 14.12 H new ATOM 304 N VAL A 22 13.528 -4.720 -4.204 1.00 33.05 N ATOM 305 CA VAL A 22 12.551 -4.255 -3.226 1.00 52.33 C ATOM 306 C VAL A 22 13.119 -4.308 -1.813 1.00 23.23 C ATOM 307 O VAL A 22 14.035 -5.080 -1.530 1.00 61.11 O ATOM 308 CB VAL A 22 11.260 -5.093 -3.281 1.00 14.54 C ATOM 309 CG1 VAL A 22 10.496 -4.815 -4.567 1.00 3.23 C ATOM 310 CG2 VAL A 22 11.580 -6.574 -3.151 1.00 3.14 C ATOM 0 H VAL A 22 13.272 -5.588 -4.676 1.00 33.05 H new ATOM 0 HA VAL A 22 12.316 -3.222 -3.480 1.00 52.33 H new ATOM 0 HB VAL A 22 10.626 -4.807 -2.442 1.00 14.54 H new ATOM 0 HG11 VAL A 22 9.587 -5.416 -4.587 1.00 3.23 H new ATOM 0 HG12 VAL A 22 10.233 -3.758 -4.613 1.00 3.23 H new ATOM 0 HG13 VAL A 22 11.120 -5.071 -5.423 1.00 3.23 H new ATOM 0 HG21 VAL A 22 10.656 -7.151 -3.192 1.00 3.14 H new ATOM 0 HG22 VAL A 22 12.234 -6.878 -3.968 1.00 3.14 H new ATOM 0 HG23 VAL A 22 12.080 -6.756 -2.200 1.00 3.14 H new ATOM 320 N MET A 23 12.569 -3.483 -0.928 1.00 43.10 N ATOM 321 CA MET A 23 13.021 -3.438 0.458 1.00 51.41 C ATOM 322 C MET A 23 13.002 -4.830 1.081 1.00 3.44 C ATOM 323 O MET A 23 13.901 -5.191 1.842 1.00 73.54 O ATOM 324 CB MET A 23 12.140 -2.489 1.273 1.00 33.10 C ATOM 325 CG MET A 23 12.573 -2.353 2.724 1.00 72.32 C ATOM 326 SD MET A 23 11.235 -2.696 3.883 1.00 21.40 S ATOM 327 CE MET A 23 10.772 -4.353 3.385 1.00 60.31 C ATOM 0 H MET A 23 11.810 -2.837 -1.146 1.00 43.10 H new ATOM 0 HA MET A 23 14.047 -3.069 0.468 1.00 51.41 H new ATOM 0 HB2 MET A 23 12.151 -1.504 0.805 1.00 33.10 H new ATOM 0 HB3 MET A 23 11.110 -2.845 1.242 1.00 33.10 H new ATOM 0 HG2 MET A 23 13.400 -3.036 2.918 1.00 72.32 H new ATOM 0 HG3 MET A 23 12.946 -1.343 2.895 1.00 72.32 H new ATOM 0 HE1 MET A 23 10.014 -4.740 4.067 1.00 60.31 H new ATOM 0 HE2 MET A 23 10.370 -4.330 2.372 1.00 60.31 H new ATOM 0 HE3 MET A 23 11.649 -5.000 3.413 1.00 60.31 H new ATOM 337 N ASP A 24 11.974 -5.605 0.755 1.00 24.35 N ATOM 338 CA ASP A 24 11.840 -6.958 1.283 1.00 33.03 C ATOM 339 C ASP A 24 13.044 -7.813 0.901 1.00 53.04 C ATOM 340 O ASP A 24 13.513 -8.631 1.692 1.00 61.01 O ATOM 341 CB ASP A 24 10.554 -7.605 0.765 1.00 0.24 C ATOM 342 CG ASP A 24 9.327 -6.760 1.047 1.00 40.15 C ATOM 343 OD1 ASP A 24 9.172 -5.705 0.396 1.00 32.33 O ATOM 344 OD2 ASP A 24 8.522 -7.153 1.917 1.00 4.23 O ATOM 0 H ASP A 24 11.222 -5.320 0.128 1.00 24.35 H new ATOM 0 HA ASP A 24 11.794 -6.894 2.370 1.00 33.03 H new ATOM 0 HB2 ASP A 24 10.640 -7.768 -0.309 1.00 0.24 H new ATOM 0 HB3 ASP A 24 10.431 -8.584 1.228 1.00 0.24 H new ATOM 349 N ARG A 25 13.538 -7.618 -0.318 1.00 30.54 N ATOM 350 CA ARG A 25 14.686 -8.373 -0.806 1.00 73.30 C ATOM 351 C ARG A 25 15.975 -7.577 -0.630 1.00 2.25 C ATOM 352 O ARG A 25 17.074 -8.120 -0.747 1.00 32.12 O ATOM 353 CB ARG A 25 14.495 -8.736 -2.280 1.00 41.50 C ATOM 354 CG ARG A 25 13.272 -9.600 -2.542 1.00 3.54 C ATOM 355 CD ARG A 25 13.620 -11.080 -2.515 1.00 50.31 C ATOM 356 NE ARG A 25 12.536 -11.906 -3.039 1.00 34.14 N ATOM 357 CZ ARG A 25 12.545 -13.234 -3.011 1.00 34.13 C ATOM 358 NH1 ARG A 25 13.576 -13.883 -2.487 1.00 14.40 N ATOM 359 NH2 ARG A 25 11.520 -13.916 -3.507 1.00 22.31 N ATOM 0 H ARG A 25 13.161 -6.944 -0.985 1.00 30.54 H new ATOM 0 HA ARG A 25 14.762 -9.289 -0.220 1.00 73.30 H new ATOM 0 HB2 ARG A 25 14.413 -7.819 -2.863 1.00 41.50 H new ATOM 0 HB3 ARG A 25 15.382 -9.261 -2.634 1.00 41.50 H new ATOM 0 HG2 ARG A 25 12.510 -9.391 -1.792 1.00 3.54 H new ATOM 0 HG3 ARG A 25 12.844 -9.343 -3.511 1.00 3.54 H new ATOM 0 HD2 ARG A 25 14.522 -11.251 -3.102 1.00 50.31 H new ATOM 0 HD3 ARG A 25 13.843 -11.381 -1.492 1.00 50.31 H new ATOM 0 HE ARG A 25 11.728 -11.438 -3.449 1.00 34.14 H new ATOM 0 HH11 ARG A 25 14.365 -13.362 -2.104 1.00 14.40 H new ATOM 0 HH12 ARG A 25 13.580 -14.903 -2.467 1.00 14.40 H new ATOM 0 HH21 ARG A 25 10.725 -13.420 -3.910 1.00 22.31 H new ATOM 0 HH22 ARG A 25 11.528 -14.936 -3.485 1.00 22.31 H new ATOM 373 N PHE A 26 15.833 -6.286 -0.348 1.00 3.14 N ATOM 374 CA PHE A 26 16.986 -5.414 -0.156 1.00 44.15 C ATOM 375 C PHE A 26 17.810 -5.857 1.049 1.00 34.24 C ATOM 376 O PHE A 26 19.039 -5.907 0.992 1.00 41.20 O ATOM 377 CB PHE A 26 16.532 -3.965 0.027 1.00 14.43 C ATOM 378 CG PHE A 26 17.668 -2.988 0.127 1.00 2.33 C ATOM 379 CD1 PHE A 26 18.713 -3.025 -0.782 1.00 22.04 C ATOM 380 CD2 PHE A 26 17.692 -2.033 1.131 1.00 53.52 C ATOM 381 CE1 PHE A 26 19.760 -2.127 -0.693 1.00 25.33 C ATOM 382 CE2 PHE A 26 18.736 -1.132 1.224 1.00 30.15 C ATOM 383 CZ PHE A 26 19.772 -1.180 0.312 1.00 22.34 C ATOM 0 H PHE A 26 14.931 -5.821 -0.247 1.00 3.14 H new ATOM 0 HA PHE A 26 17.612 -5.482 -1.046 1.00 44.15 H new ATOM 0 HB2 PHE A 26 15.895 -3.684 -0.811 1.00 14.43 H new ATOM 0 HB3 PHE A 26 15.923 -3.895 0.928 1.00 14.43 H new ATOM 0 HD1 PHE A 26 18.709 -3.764 -1.569 1.00 22.04 H new ATOM 0 HD2 PHE A 26 16.886 -1.992 1.849 1.00 53.52 H new ATOM 0 HE1 PHE A 26 20.568 -2.166 -1.409 1.00 25.33 H new ATOM 0 HE2 PHE A 26 18.742 -0.391 2.009 1.00 30.15 H new ATOM 0 HZ PHE A 26 20.590 -0.478 0.385 1.00 22.34 H new ATOM 393 N LEU A 27 17.123 -6.178 2.141 1.00 65.14 N ATOM 394 CA LEU A 27 17.790 -6.617 3.362 1.00 72.21 C ATOM 395 C LEU A 27 18.646 -7.852 3.101 1.00 23.10 C ATOM 396 O LEU A 27 19.814 -7.901 3.486 1.00 61.24 O ATOM 397 CB LEU A 27 16.757 -6.919 4.449 1.00 23.04 C ATOM 398 CG LEU A 27 15.597 -7.827 4.040 1.00 41.10 C ATOM 399 CD1 LEU A 27 15.823 -9.243 4.546 1.00 63.10 C ATOM 400 CD2 LEU A 27 14.279 -7.276 4.563 1.00 35.00 C ATOM 0 H LEU A 27 16.106 -6.142 2.205 1.00 65.14 H new ATOM 0 HA LEU A 27 18.441 -5.812 3.701 1.00 72.21 H new ATOM 0 HB2 LEU A 27 17.271 -7.378 5.293 1.00 23.04 H new ATOM 0 HB3 LEU A 27 16.345 -5.974 4.803 1.00 23.04 H new ATOM 0 HG LEU A 27 15.550 -7.856 2.951 1.00 41.10 H new ATOM 0 HD11 LEU A 27 14.987 -9.875 4.245 1.00 63.10 H new ATOM 0 HD12 LEU A 27 16.747 -9.638 4.123 1.00 63.10 H new ATOM 0 HD13 LEU A 27 15.897 -9.233 5.633 1.00 63.10 H new ATOM 0 HD21 LEU A 27 13.464 -7.935 4.262 1.00 35.00 H new ATOM 0 HD22 LEU A 27 14.315 -7.217 5.651 1.00 35.00 H new ATOM 0 HD23 LEU A 27 14.112 -6.281 4.151 1.00 35.00 H new ATOM 412 N GLU A 28 18.058 -8.846 2.443 1.00 35.34 N ATOM 413 CA GLU A 28 18.768 -10.080 2.130 1.00 21.52 C ATOM 414 C GLU A 28 19.850 -9.834 1.083 1.00 64.40 C ATOM 415 O GLU A 28 20.981 -10.301 1.222 1.00 40.12 O ATOM 416 CB GLU A 28 17.790 -11.145 1.628 1.00 1.15 C ATOM 417 CG GLU A 28 18.239 -12.568 1.916 1.00 51.20 C ATOM 418 CD GLU A 28 17.706 -13.092 3.235 1.00 32.31 C ATOM 419 OE1 GLU A 28 16.502 -13.417 3.302 1.00 11.33 O ATOM 420 OE2 GLU A 28 18.494 -13.179 4.200 1.00 13.44 O ATOM 0 H GLU A 28 17.092 -8.821 2.117 1.00 35.34 H new ATOM 0 HA GLU A 28 19.244 -10.436 3.043 1.00 21.52 H new ATOM 0 HB2 GLU A 28 16.817 -10.979 2.090 1.00 1.15 H new ATOM 0 HB3 GLU A 28 17.656 -11.026 0.553 1.00 1.15 H new ATOM 0 HG2 GLU A 28 17.906 -13.220 1.109 1.00 51.20 H new ATOM 0 HG3 GLU A 28 19.328 -12.606 1.928 1.00 51.20 H new ATOM 427 N SER A 29 19.495 -9.099 0.035 1.00 53.25 N ATOM 428 CA SER A 29 20.433 -8.794 -1.039 1.00 43.10 C ATOM 429 C SER A 29 21.683 -8.111 -0.491 1.00 34.12 C ATOM 430 O SER A 29 22.800 -8.396 -0.923 1.00 11.25 O ATOM 431 CB SER A 29 19.768 -7.900 -2.088 1.00 25.22 C ATOM 432 OG SER A 29 18.733 -8.592 -2.765 1.00 4.20 O ATOM 0 H SER A 29 18.564 -8.703 -0.094 1.00 53.25 H new ATOM 0 HA SER A 29 20.728 -9.733 -1.507 1.00 43.10 H new ATOM 0 HB2 SER A 29 19.361 -7.010 -1.607 1.00 25.22 H new ATOM 0 HB3 SER A 29 20.514 -7.561 -2.807 1.00 25.22 H new ATOM 0 HG SER A 29 17.913 -8.558 -2.230 1.00 4.20 H new ATOM 438 N PHE A 30 21.485 -7.208 0.464 1.00 51.13 N ATOM 439 CA PHE A 30 22.594 -6.483 1.072 1.00 43.54 C ATOM 440 C PHE A 30 23.469 -7.420 1.899 1.00 15.04 C ATOM 441 O PHE A 30 24.696 -7.377 1.816 1.00 11.43 O ATOM 442 CB PHE A 30 22.068 -5.347 1.952 1.00 32.42 C ATOM 443 CG PHE A 30 22.660 -5.335 3.332 1.00 20.55 C ATOM 444 CD1 PHE A 30 23.970 -4.933 3.535 1.00 43.10 C ATOM 445 CD2 PHE A 30 21.906 -5.726 4.427 1.00 24.34 C ATOM 446 CE1 PHE A 30 24.518 -4.922 4.804 1.00 52.21 C ATOM 447 CE2 PHE A 30 22.448 -5.717 5.699 1.00 44.11 C ATOM 448 CZ PHE A 30 23.756 -5.313 5.887 1.00 34.14 C ATOM 0 H PHE A 30 20.567 -6.961 0.833 1.00 51.13 H new ATOM 0 HA PHE A 30 23.201 -6.061 0.271 1.00 43.54 H new ATOM 0 HB2 PHE A 30 22.279 -4.394 1.466 1.00 32.42 H new ATOM 0 HB3 PHE A 30 20.984 -5.431 2.031 1.00 32.42 H new ATOM 0 HD1 PHE A 30 24.570 -4.625 2.692 1.00 43.10 H new ATOM 0 HD2 PHE A 30 20.883 -6.041 4.285 1.00 24.34 H new ATOM 0 HE1 PHE A 30 25.541 -4.608 4.948 1.00 52.21 H new ATOM 0 HE2 PHE A 30 21.850 -6.025 6.544 1.00 44.11 H new ATOM 0 HZ PHE A 30 24.182 -5.303 6.880 1.00 34.14 H new ATOM 458 N SER A 31 22.827 -8.266 2.698 1.00 33.44 N ATOM 459 CA SER A 31 23.545 -9.212 3.545 1.00 14.23 C ATOM 460 C SER A 31 24.485 -10.080 2.715 1.00 42.54 C ATOM 461 O SER A 31 25.650 -10.263 3.066 1.00 0.34 O ATOM 462 CB SER A 31 22.557 -10.096 4.309 1.00 24.51 C ATOM 463 OG SER A 31 23.124 -11.364 4.595 1.00 52.41 O ATOM 0 H SER A 31 21.811 -8.316 2.777 1.00 33.44 H new ATOM 0 HA SER A 31 24.140 -8.643 4.259 1.00 14.23 H new ATOM 0 HB2 SER A 31 22.268 -9.605 5.238 1.00 24.51 H new ATOM 0 HB3 SER A 31 21.649 -10.224 3.721 1.00 24.51 H new ATOM 0 HG SER A 31 22.474 -11.910 5.085 1.00 52.41 H new ATOM 469 N GLU A 32 23.970 -10.611 1.610 1.00 13.15 N ATOM 470 CA GLU A 32 24.763 -11.460 0.730 1.00 61.21 C ATOM 471 C GLU A 32 25.755 -10.629 -0.079 1.00 23.24 C ATOM 472 O GLU A 32 26.913 -11.014 -0.247 1.00 22.22 O ATOM 473 CB GLU A 32 23.851 -12.247 -0.214 1.00 43.33 C ATOM 474 CG GLU A 32 24.517 -13.467 -0.827 1.00 63.13 C ATOM 475 CD GLU A 32 24.576 -14.642 0.130 1.00 41.14 C ATOM 476 OE1 GLU A 32 25.364 -14.579 1.097 1.00 74.41 O ATOM 477 OE2 GLU A 32 23.836 -15.623 -0.089 1.00 34.33 O ATOM 0 H GLU A 32 23.008 -10.468 1.304 1.00 13.15 H new ATOM 0 HA GLU A 32 25.323 -12.160 1.350 1.00 61.21 H new ATOM 0 HB2 GLU A 32 22.963 -12.565 0.333 1.00 43.33 H new ATOM 0 HB3 GLU A 32 23.514 -11.587 -1.014 1.00 43.33 H new ATOM 0 HG2 GLU A 32 23.973 -13.761 -1.724 1.00 63.13 H new ATOM 0 HG3 GLU A 32 25.528 -13.206 -1.139 1.00 63.13 H new ATOM 484 N LEU A 33 25.293 -9.488 -0.577 1.00 44.14 N ATOM 485 CA LEU A 33 26.139 -8.601 -1.369 1.00 61.22 C ATOM 486 C LEU A 33 27.390 -8.204 -0.592 1.00 12.12 C ATOM 487 O LEU A 33 28.483 -8.123 -1.153 1.00 74.22 O ATOM 488 CB LEU A 33 25.359 -7.350 -1.777 1.00 21.11 C ATOM 489 CG LEU A 33 26.146 -6.291 -2.551 1.00 34.43 C ATOM 490 CD1 LEU A 33 26.906 -5.386 -1.594 1.00 61.21 C ATOM 491 CD2 LEU A 33 27.100 -6.950 -3.536 1.00 75.25 C ATOM 0 H LEU A 33 24.338 -9.155 -0.447 1.00 44.14 H new ATOM 0 HA LEU A 33 26.447 -9.138 -2.266 1.00 61.22 H new ATOM 0 HB2 LEU A 33 24.509 -7.659 -2.385 1.00 21.11 H new ATOM 0 HB3 LEU A 33 24.956 -6.888 -0.876 1.00 21.11 H new ATOM 0 HG LEU A 33 25.440 -5.680 -3.113 1.00 34.43 H new ATOM 0 HD11 LEU A 33 27.460 -4.639 -2.162 1.00 61.21 H new ATOM 0 HD12 LEU A 33 26.202 -4.887 -0.929 1.00 61.21 H new ATOM 0 HD13 LEU A 33 27.602 -5.983 -1.004 1.00 61.21 H new ATOM 0 HD21 LEU A 33 27.652 -6.182 -4.078 1.00 75.25 H new ATOM 0 HD22 LEU A 33 27.800 -7.586 -2.994 1.00 75.25 H new ATOM 0 HD23 LEU A 33 26.532 -7.556 -4.243 1.00 75.25 H new ATOM 503 N TYR A 34 27.222 -7.959 0.703 1.00 41.21 N ATOM 504 CA TYR A 34 28.337 -7.570 1.558 1.00 43.22 C ATOM 505 C TYR A 34 29.332 -8.717 1.712 1.00 52.44 C ATOM 506 O TYR A 34 30.536 -8.496 1.843 1.00 13.34 O ATOM 507 CB TYR A 34 27.826 -7.136 2.933 1.00 41.55 C ATOM 508 CG TYR A 34 28.922 -6.969 3.961 1.00 33.22 C ATOM 509 CD1 TYR A 34 29.601 -5.764 4.093 1.00 31.43 C ATOM 510 CD2 TYR A 34 29.277 -8.017 4.802 1.00 60.12 C ATOM 511 CE1 TYR A 34 30.603 -5.608 5.031 1.00 30.52 C ATOM 512 CE2 TYR A 34 30.277 -7.870 5.744 1.00 51.34 C ATOM 513 CZ TYR A 34 30.937 -6.664 5.854 1.00 2.21 C ATOM 514 OH TYR A 34 31.934 -6.512 6.791 1.00 51.13 O ATOM 0 H TYR A 34 26.324 -8.023 1.183 1.00 41.21 H new ATOM 0 HA TYR A 34 28.848 -6.731 1.086 1.00 43.22 H new ATOM 0 HB2 TYR A 34 27.289 -6.193 2.831 1.00 41.55 H new ATOM 0 HB3 TYR A 34 27.110 -7.874 3.295 1.00 41.55 H new ATOM 0 HD1 TYR A 34 29.341 -4.935 3.451 1.00 31.43 H new ATOM 0 HD2 TYR A 34 28.762 -8.963 4.718 1.00 60.12 H new ATOM 0 HE1 TYR A 34 31.122 -4.665 5.120 1.00 30.52 H new ATOM 0 HE2 TYR A 34 30.540 -8.694 6.390 1.00 51.34 H new ATOM 0 HH TYR A 34 32.045 -7.348 7.289 1.00 51.13 H new ATOM 524 N ASP A 35 28.819 -9.942 1.693 1.00 11.21 N ATOM 525 CA ASP A 35 29.660 -11.125 1.829 1.00 65.15 C ATOM 526 C ASP A 35 30.466 -11.367 0.556 1.00 62.40 C ATOM 527 O ASP A 35 31.565 -11.922 0.602 1.00 53.05 O ATOM 528 CB ASP A 35 28.805 -12.352 2.147 1.00 74.24 C ATOM 529 CG ASP A 35 29.166 -12.981 3.478 1.00 64.13 C ATOM 530 OD1 ASP A 35 30.065 -13.848 3.499 1.00 12.01 O ATOM 531 OD2 ASP A 35 28.551 -12.607 4.498 1.00 74.10 O ATOM 0 H ASP A 35 27.825 -10.142 1.585 1.00 11.21 H new ATOM 0 HA ASP A 35 30.355 -10.954 2.651 1.00 65.15 H new ATOM 0 HB2 ASP A 35 27.753 -12.065 2.157 1.00 74.24 H new ATOM 0 HB3 ASP A 35 28.926 -13.091 1.355 1.00 74.24 H new ATOM 536 N ILE A 36 29.913 -10.949 -0.577 1.00 74.52 N ATOM 537 CA ILE A 36 30.580 -11.121 -1.862 1.00 31.33 C ATOM 538 C ILE A 36 31.384 -9.880 -2.234 1.00 23.44 C ATOM 539 O ILE A 36 32.311 -9.948 -3.041 1.00 62.44 O ATOM 540 CB ILE A 36 29.570 -11.420 -2.985 1.00 71.33 C ATOM 541 CG1 ILE A 36 30.285 -11.502 -4.335 1.00 41.14 C ATOM 542 CG2 ILE A 36 28.484 -10.355 -3.018 1.00 71.45 C ATOM 543 CD1 ILE A 36 30.129 -10.255 -5.178 1.00 24.31 C ATOM 0 H ILE A 36 29.004 -10.489 -0.632 1.00 74.52 H new ATOM 0 HA ILE A 36 31.255 -11.970 -1.756 1.00 31.33 H new ATOM 0 HB ILE A 36 29.101 -12.383 -2.785 1.00 71.33 H new ATOM 0 HG12 ILE A 36 31.346 -11.685 -4.165 1.00 41.14 H new ATOM 0 HG13 ILE A 36 29.899 -12.357 -4.890 1.00 41.14 H new ATOM 0 HG21 ILE A 36 27.778 -10.580 -3.817 1.00 71.45 H new ATOM 0 HG22 ILE A 36 27.959 -10.341 -2.063 1.00 71.45 H new ATOM 0 HG23 ILE A 36 28.936 -9.380 -3.198 1.00 71.45 H new ATOM 0 HD11 ILE A 36 30.661 -10.384 -6.120 1.00 24.31 H new ATOM 0 HD12 ILE A 36 29.072 -10.082 -5.379 1.00 24.31 H new ATOM 0 HD13 ILE A 36 30.541 -9.400 -4.642 1.00 24.31 H new ATOM 555 N ILE A 37 31.025 -8.748 -1.638 1.00 33.51 N ATOM 556 CA ILE A 37 31.715 -7.493 -1.904 1.00 41.34 C ATOM 557 C ILE A 37 33.196 -7.595 -1.555 1.00 40.24 C ATOM 558 O ILE A 37 34.008 -6.788 -2.008 1.00 41.31 O ATOM 559 CB ILE A 37 31.092 -6.328 -1.112 1.00 74.34 C ATOM 560 CG1 ILE A 37 31.461 -4.990 -1.756 1.00 14.14 C ATOM 561 CG2 ILE A 37 31.549 -6.369 0.338 1.00 63.21 C ATOM 562 CD1 ILE A 37 30.646 -4.667 -2.989 1.00 20.33 C ATOM 0 H ILE A 37 30.260 -8.675 -0.967 1.00 33.51 H new ATOM 0 HA ILE A 37 31.608 -7.295 -2.970 1.00 41.34 H new ATOM 0 HB ILE A 37 30.007 -6.433 -1.133 1.00 74.34 H new ATOM 0 HG12 ILE A 37 31.327 -4.194 -1.023 1.00 14.14 H new ATOM 0 HG13 ILE A 37 32.518 -5.003 -2.022 1.00 14.14 H new ATOM 0 HG21 ILE A 37 31.100 -5.539 0.884 1.00 63.21 H new ATOM 0 HG22 ILE A 37 31.240 -7.311 0.790 1.00 63.21 H new ATOM 0 HG23 ILE A 37 32.635 -6.286 0.380 1.00 63.21 H new ATOM 0 HD11 ILE A 37 30.962 -3.705 -3.392 1.00 20.33 H new ATOM 0 HD12 ILE A 37 30.799 -5.443 -3.740 1.00 20.33 H new ATOM 0 HD13 ILE A 37 29.589 -4.621 -2.725 1.00 20.33 H new ATOM 574 N ASP A 38 33.541 -8.593 -0.749 1.00 53.23 N ATOM 575 CA ASP A 38 34.925 -8.803 -0.341 1.00 71.14 C ATOM 576 C ASP A 38 35.801 -9.140 -1.544 1.00 53.42 C ATOM 577 O ASP A 38 37.009 -8.910 -1.527 1.00 5.02 O ATOM 578 CB ASP A 38 35.009 -9.924 0.696 1.00 73.02 C ATOM 579 CG ASP A 38 36.307 -9.893 1.479 1.00 54.44 C ATOM 580 OD1 ASP A 38 37.377 -10.081 0.862 1.00 15.41 O ATOM 581 OD2 ASP A 38 36.253 -9.679 2.708 1.00 74.23 O ATOM 0 H ASP A 38 32.881 -9.269 -0.365 1.00 53.23 H new ATOM 0 HA ASP A 38 35.291 -7.878 0.105 1.00 71.14 H new ATOM 0 HB2 ASP A 38 34.170 -9.840 1.386 1.00 73.02 H new ATOM 0 HB3 ASP A 38 34.914 -10.887 0.194 1.00 73.02 H new ATOM 586 N GLU A 39 35.182 -9.686 -2.586 1.00 52.23 N ATOM 587 CA GLU A 39 35.906 -10.056 -3.796 1.00 44.55 C ATOM 588 C GLU A 39 36.085 -8.849 -4.713 1.00 45.04 C ATOM 589 O GLU A 39 35.723 -7.728 -4.359 1.00 71.04 O ATOM 590 CB GLU A 39 35.167 -11.170 -4.540 1.00 51.30 C ATOM 591 CG GLU A 39 35.116 -12.482 -3.776 1.00 24.11 C ATOM 592 CD GLU A 39 36.442 -13.218 -3.792 1.00 3.34 C ATOM 593 OE1 GLU A 39 36.896 -13.598 -4.891 1.00 40.14 O ATOM 594 OE2 GLU A 39 37.026 -13.413 -2.705 1.00 71.32 O ATOM 0 H GLU A 39 34.181 -9.882 -2.616 1.00 52.23 H new ATOM 0 HA GLU A 39 36.891 -10.418 -3.502 1.00 44.55 H new ATOM 0 HB2 GLU A 39 34.149 -10.842 -4.750 1.00 51.30 H new ATOM 0 HB3 GLU A 39 35.653 -11.338 -5.501 1.00 51.30 H new ATOM 0 HG2 GLU A 39 34.826 -12.286 -2.744 1.00 24.11 H new ATOM 0 HG3 GLU A 39 34.345 -13.120 -4.208 1.00 24.11 H new ATOM 601 N ASN A 40 36.648 -9.088 -5.894 1.00 20.44 N ATOM 602 CA ASN A 40 36.877 -8.022 -6.862 1.00 12.14 C ATOM 603 C ASN A 40 36.837 -8.564 -8.287 1.00 53.54 C ATOM 604 O ASN A 40 37.348 -7.937 -9.215 1.00 43.52 O ATOM 605 CB ASN A 40 38.224 -7.346 -6.599 1.00 21.35 C ATOM 606 CG ASN A 40 38.365 -6.030 -7.338 1.00 41.11 C ATOM 607 OD1 ASN A 40 38.997 -5.962 -8.392 1.00 45.02 O ATOM 608 ND2 ASN A 40 37.775 -4.976 -6.787 1.00 53.31 N ATOM 0 H ASN A 40 36.954 -10.011 -6.203 1.00 20.44 H new ATOM 0 HA ASN A 40 36.081 -7.286 -6.749 1.00 12.14 H new ATOM 0 HB2 ASN A 40 38.337 -7.172 -5.529 1.00 21.35 H new ATOM 0 HB3 ASN A 40 39.029 -8.017 -6.900 1.00 21.35 H new ATOM 0 HD21 ASN A 40 37.835 -4.064 -7.239 1.00 53.31 H new ATOM 0 HD22 ASN A 40 37.261 -5.079 -5.912 1.00 53.31 H new ATOM 615 N ASP A 41 36.225 -9.731 -8.454 1.00 22.03 N ATOM 616 CA ASP A 41 36.116 -10.357 -9.766 1.00 43.03 C ATOM 617 C ASP A 41 34.859 -9.886 -10.491 1.00 2.54 C ATOM 618 O ASP A 41 33.780 -9.812 -9.901 1.00 43.53 O ATOM 619 CB ASP A 41 36.100 -11.880 -9.629 1.00 32.22 C ATOM 620 CG ASP A 41 36.621 -12.579 -10.869 1.00 71.11 C ATOM 621 OD1 ASP A 41 35.924 -12.547 -11.904 1.00 72.35 O ATOM 622 OD2 ASP A 41 37.725 -13.159 -10.804 1.00 44.31 O ATOM 0 H ASP A 41 35.797 -10.263 -7.696 1.00 22.03 H new ATOM 0 HA ASP A 41 36.985 -10.062 -10.354 1.00 43.03 H new ATOM 0 HB2 ASP A 41 36.705 -12.171 -8.770 1.00 32.22 H new ATOM 0 HB3 ASP A 41 35.082 -12.213 -9.429 1.00 32.22 H new ATOM 627 N THR A 42 35.005 -9.566 -11.773 1.00 25.12 N ATOM 628 CA THR A 42 33.883 -9.100 -12.577 1.00 43.41 C ATOM 629 C THR A 42 32.876 -10.218 -12.817 1.00 31.33 C ATOM 630 O THR A 42 31.667 -9.984 -12.838 1.00 64.22 O ATOM 631 CB THR A 42 34.356 -8.550 -13.936 1.00 62.33 C ATOM 632 OG1 THR A 42 34.792 -9.626 -14.775 1.00 22.34 O ATOM 633 CG2 THR A 42 35.490 -7.553 -13.752 1.00 11.20 C ATOM 0 H THR A 42 35.890 -9.621 -12.277 1.00 25.12 H new ATOM 0 HA THR A 42 33.404 -8.298 -12.015 1.00 43.41 H new ATOM 0 HB THR A 42 33.517 -8.039 -14.408 1.00 62.33 H new ATOM 0 HG1 THR A 42 35.089 -9.268 -15.638 1.00 22.34 H new ATOM 0 HG21 THR A 42 35.807 -7.179 -14.725 1.00 11.20 H new ATOM 0 HG22 THR A 42 35.147 -6.721 -13.137 1.00 11.20 H new ATOM 0 HG23 THR A 42 36.330 -8.044 -13.261 1.00 11.20 H new ATOM 641 N ASP A 43 33.380 -11.434 -12.996 1.00 25.04 N ATOM 642 CA ASP A 43 32.524 -12.590 -13.232 1.00 32.31 C ATOM 643 C ASP A 43 31.665 -12.890 -12.007 1.00 24.00 C ATOM 644 O ASP A 43 30.471 -13.162 -12.125 1.00 15.04 O ATOM 645 CB ASP A 43 33.369 -13.814 -13.589 1.00 43.34 C ATOM 646 CG ASP A 43 32.621 -14.799 -14.466 1.00 11.41 C ATOM 647 OD1 ASP A 43 31.655 -15.417 -13.972 1.00 74.44 O ATOM 648 OD2 ASP A 43 33.001 -14.950 -15.646 1.00 12.14 O ATOM 0 H ASP A 43 34.378 -11.645 -12.982 1.00 25.04 H new ATOM 0 HA ASP A 43 31.865 -12.357 -14.068 1.00 32.31 H new ATOM 0 HB2 ASP A 43 34.274 -13.490 -14.102 1.00 43.34 H new ATOM 0 HB3 ASP A 43 33.684 -14.314 -12.673 1.00 43.34 H new ATOM 653 N VAL A 44 32.283 -12.840 -10.831 1.00 1.50 N ATOM 654 CA VAL A 44 31.576 -13.106 -9.584 1.00 0.50 C ATOM 655 C VAL A 44 30.570 -12.002 -9.277 1.00 35.41 C ATOM 656 O VAL A 44 29.455 -12.272 -8.830 1.00 22.14 O ATOM 657 CB VAL A 44 32.554 -13.237 -8.401 1.00 50.13 C ATOM 658 CG1 VAL A 44 31.795 -13.473 -7.104 1.00 40.33 C ATOM 659 CG2 VAL A 44 33.551 -14.357 -8.657 1.00 33.34 C ATOM 0 H VAL A 44 33.272 -12.618 -10.716 1.00 1.50 H new ATOM 0 HA VAL A 44 31.047 -14.050 -9.715 1.00 0.50 H new ATOM 0 HB VAL A 44 33.108 -12.303 -8.304 1.00 50.13 H new ATOM 0 HG11 VAL A 44 32.502 -13.563 -6.280 1.00 40.33 H new ATOM 0 HG12 VAL A 44 31.125 -12.634 -6.917 1.00 40.33 H new ATOM 0 HG13 VAL A 44 31.213 -14.391 -7.185 1.00 40.33 H new ATOM 0 HG21 VAL A 44 34.235 -14.436 -7.812 1.00 33.34 H new ATOM 0 HG22 VAL A 44 33.016 -15.299 -8.781 1.00 33.34 H new ATOM 0 HG23 VAL A 44 34.118 -14.140 -9.563 1.00 33.34 H new ATOM 669 N MET A 45 30.970 -10.759 -9.521 1.00 1.14 N ATOM 670 CA MET A 45 30.102 -9.614 -9.272 1.00 33.15 C ATOM 671 C MET A 45 28.953 -9.575 -10.275 1.00 1.45 C ATOM 672 O MET A 45 27.802 -9.344 -9.905 1.00 42.10 O ATOM 673 CB MET A 45 30.903 -8.313 -9.345 1.00 64.21 C ATOM 674 CG MET A 45 31.669 -7.998 -8.070 1.00 55.10 C ATOM 675 SD MET A 45 30.615 -7.305 -6.781 1.00 31.50 S ATOM 676 CE MET A 45 30.067 -5.793 -7.568 1.00 12.20 C ATOM 0 H MET A 45 31.890 -10.519 -9.891 1.00 1.14 H new ATOM 0 HA MET A 45 29.684 -9.718 -8.271 1.00 33.15 H new ATOM 0 HB2 MET A 45 31.606 -8.375 -10.176 1.00 64.21 H new ATOM 0 HB3 MET A 45 30.223 -7.489 -9.564 1.00 64.21 H new ATOM 0 HG2 MET A 45 32.140 -8.908 -7.699 1.00 55.10 H new ATOM 0 HG3 MET A 45 32.470 -7.294 -8.296 1.00 55.10 H new ATOM 0 HE1 MET A 45 30.237 -4.951 -6.897 1.00 12.20 H new ATOM 0 HE2 MET A 45 30.626 -5.640 -8.491 1.00 12.20 H new ATOM 0 HE3 MET A 45 29.004 -5.866 -7.796 1.00 12.20 H new ATOM 686 N MET A 46 29.274 -9.801 -11.544 1.00 41.32 N ATOM 687 CA MET A 46 28.268 -9.792 -12.600 1.00 12.43 C ATOM 688 C MET A 46 27.316 -10.975 -12.454 1.00 10.44 C ATOM 689 O MET A 46 26.117 -10.854 -12.706 1.00 42.34 O ATOM 690 CB MET A 46 28.939 -9.829 -13.974 1.00 10.40 C ATOM 691 CG MET A 46 29.443 -11.208 -14.367 1.00 54.23 C ATOM 692 SD MET A 46 30.213 -11.227 -15.997 1.00 71.15 S ATOM 693 CE MET A 46 28.774 -11.077 -17.054 1.00 20.34 C ATOM 0 H MET A 46 30.222 -9.993 -11.867 1.00 41.32 H new ATOM 0 HA MET A 46 27.692 -8.871 -12.510 1.00 12.43 H new ATOM 0 HB2 MET A 46 28.229 -9.483 -14.725 1.00 10.40 H new ATOM 0 HB3 MET A 46 29.775 -9.130 -13.980 1.00 10.40 H new ATOM 0 HG2 MET A 46 30.163 -11.552 -13.625 1.00 54.23 H new ATOM 0 HG3 MET A 46 28.611 -11.912 -14.354 1.00 54.23 H new ATOM 0 HE1 MET A 46 29.060 -11.269 -18.088 1.00 20.34 H new ATOM 0 HE2 MET A 46 28.019 -11.801 -16.746 1.00 20.34 H new ATOM 0 HE3 MET A 46 28.366 -10.070 -16.972 1.00 20.34 H new ATOM 703 N ASP A 47 27.858 -12.117 -12.045 1.00 55.21 N ATOM 704 CA ASP A 47 27.056 -13.322 -11.865 1.00 11.42 C ATOM 705 C ASP A 47 26.117 -13.176 -10.672 1.00 14.13 C ATOM 706 O ASP A 47 24.957 -13.584 -10.728 1.00 75.50 O ATOM 707 CB ASP A 47 27.962 -14.538 -11.671 1.00 20.42 C ATOM 708 CG ASP A 47 27.205 -15.749 -11.160 1.00 52.45 C ATOM 709 OD1 ASP A 47 26.657 -16.500 -11.994 1.00 23.12 O ATOM 710 OD2 ASP A 47 27.159 -15.944 -9.928 1.00 11.24 O ATOM 0 H ASP A 47 28.849 -12.234 -11.832 1.00 55.21 H new ATOM 0 HA ASP A 47 26.454 -13.466 -12.762 1.00 11.42 H new ATOM 0 HB2 ASP A 47 28.441 -14.786 -12.618 1.00 20.42 H new ATOM 0 HB3 ASP A 47 28.757 -14.287 -10.968 1.00 20.42 H new ATOM 715 N PHE A 48 26.626 -12.592 -9.592 1.00 51.00 N ATOM 716 CA PHE A 48 25.833 -12.394 -8.384 1.00 63.21 C ATOM 717 C PHE A 48 24.779 -11.312 -8.597 1.00 11.24 C ATOM 718 O PHE A 48 23.615 -11.485 -8.233 1.00 41.44 O ATOM 719 CB PHE A 48 26.739 -12.016 -7.210 1.00 62.14 C ATOM 720 CG PHE A 48 25.990 -11.489 -6.020 1.00 73.12 C ATOM 721 CD1 PHE A 48 25.501 -12.354 -5.054 1.00 40.31 C ATOM 722 CD2 PHE A 48 25.773 -10.129 -5.868 1.00 4.01 C ATOM 723 CE1 PHE A 48 24.811 -11.872 -3.957 1.00 42.04 C ATOM 724 CE2 PHE A 48 25.085 -9.641 -4.773 1.00 72.52 C ATOM 725 CZ PHE A 48 24.602 -10.514 -3.818 1.00 20.15 C ATOM 0 H PHE A 48 27.584 -12.248 -9.529 1.00 51.00 H new ATOM 0 HA PHE A 48 25.325 -13.331 -8.155 1.00 63.21 H new ATOM 0 HB2 PHE A 48 27.314 -12.892 -6.909 1.00 62.14 H new ATOM 0 HB3 PHE A 48 27.454 -11.263 -7.541 1.00 62.14 H new ATOM 0 HD1 PHE A 48 25.661 -13.417 -5.159 1.00 40.31 H new ATOM 0 HD2 PHE A 48 26.146 -9.442 -6.614 1.00 4.01 H new ATOM 0 HE1 PHE A 48 24.436 -12.556 -3.210 1.00 42.04 H new ATOM 0 HE2 PHE A 48 24.925 -8.578 -4.664 1.00 72.52 H new ATOM 0 HZ PHE A 48 24.061 -10.135 -2.963 1.00 20.15 H new ATOM 735 N ILE A 49 25.195 -10.196 -9.186 1.00 64.44 N ATOM 736 CA ILE A 49 24.288 -9.086 -9.448 1.00 34.33 C ATOM 737 C ILE A 49 23.173 -9.501 -10.403 1.00 3.42 C ATOM 738 O ILE A 49 21.996 -9.249 -10.146 1.00 1.30 O ATOM 739 CB ILE A 49 25.034 -7.877 -10.041 1.00 53.31 C ATOM 740 CG1 ILE A 49 25.421 -6.895 -8.933 1.00 72.02 C ATOM 741 CG2 ILE A 49 24.175 -7.187 -11.091 1.00 33.43 C ATOM 742 CD1 ILE A 49 26.753 -7.207 -8.288 1.00 41.41 C ATOM 0 H ILE A 49 26.155 -10.037 -9.491 1.00 64.44 H new ATOM 0 HA ILE A 49 23.854 -8.800 -8.490 1.00 34.33 H new ATOM 0 HB ILE A 49 25.946 -8.232 -10.521 1.00 53.31 H new ATOM 0 HG12 ILE A 49 25.454 -5.887 -9.347 1.00 72.02 H new ATOM 0 HG13 ILE A 49 24.645 -6.900 -8.167 1.00 72.02 H new ATOM 0 HG21 ILE A 49 24.716 -6.334 -11.501 1.00 33.43 H new ATOM 0 HG22 ILE A 49 23.945 -7.890 -11.892 1.00 33.43 H new ATOM 0 HG23 ILE A 49 23.248 -6.842 -10.633 1.00 33.43 H new ATOM 0 HD11 ILE A 49 26.963 -6.471 -7.512 1.00 41.41 H new ATOM 0 HD12 ILE A 49 26.718 -8.202 -7.844 1.00 41.41 H new ATOM 0 HD13 ILE A 49 27.539 -7.174 -9.042 1.00 41.41 H new ATOM 754 N SER A 50 23.553 -10.139 -11.505 1.00 30.10 N ATOM 755 CA SER A 50 22.586 -10.587 -12.500 1.00 60.32 C ATOM 756 C SER A 50 21.651 -11.640 -11.913 1.00 74.03 C ATOM 757 O SER A 50 20.458 -11.666 -12.219 1.00 24.40 O ATOM 758 CB SER A 50 23.308 -11.155 -13.724 1.00 32.22 C ATOM 759 OG SER A 50 22.432 -11.251 -14.834 1.00 31.04 O ATOM 0 H SER A 50 24.523 -10.357 -11.731 1.00 30.10 H new ATOM 0 HA SER A 50 21.990 -9.727 -12.805 1.00 60.32 H new ATOM 0 HB2 SER A 50 24.155 -10.518 -13.979 1.00 32.22 H new ATOM 0 HB3 SER A 50 23.710 -12.140 -13.488 1.00 32.22 H new ATOM 0 HG SER A 50 22.918 -11.615 -15.603 1.00 31.04 H new ATOM 765 N ARG A 51 22.201 -12.506 -11.069 1.00 33.32 N ATOM 766 CA ARG A 51 21.417 -13.562 -10.439 1.00 61.44 C ATOM 767 C ARG A 51 20.497 -12.990 -9.365 1.00 3.02 C ATOM 768 O ARG A 51 19.423 -13.531 -9.099 1.00 45.35 O ATOM 769 CB ARG A 51 22.341 -14.616 -9.826 1.00 62.13 C ATOM 770 CG ARG A 51 21.604 -15.822 -9.268 1.00 72.32 C ATOM 771 CD ARG A 51 21.318 -15.662 -7.783 1.00 71.43 C ATOM 772 NE ARG A 51 21.279 -16.948 -7.092 1.00 31.12 N ATOM 773 CZ ARG A 51 20.287 -17.822 -7.220 1.00 53.13 C ATOM 774 NH1 ARG A 51 19.257 -17.550 -8.010 1.00 43.33 N ATOM 775 NH2 ARG A 51 20.323 -18.971 -6.558 1.00 62.21 N ATOM 0 H ARG A 51 23.186 -12.498 -10.805 1.00 33.32 H new ATOM 0 HA ARG A 51 20.802 -14.030 -11.207 1.00 61.44 H new ATOM 0 HB2 ARG A 51 23.048 -14.952 -10.584 1.00 62.13 H new ATOM 0 HB3 ARG A 51 22.924 -14.156 -9.028 1.00 62.13 H new ATOM 0 HG2 ARG A 51 20.667 -15.959 -9.807 1.00 72.32 H new ATOM 0 HG3 ARG A 51 22.199 -16.721 -9.430 1.00 72.32 H new ATOM 0 HD2 ARG A 51 22.084 -15.031 -7.332 1.00 71.43 H new ATOM 0 HD3 ARG A 51 20.365 -15.150 -7.650 1.00 71.43 H new ATOM 0 HE ARG A 51 22.057 -17.188 -6.477 1.00 31.12 H new ATOM 0 HH11 ARG A 51 19.225 -16.668 -8.521 1.00 43.33 H new ATOM 0 HH12 ARG A 51 18.497 -18.223 -8.106 1.00 43.33 H new ATOM 0 HH21 ARG A 51 21.113 -19.184 -5.950 1.00 62.21 H new ATOM 0 HH22 ARG A 51 19.560 -19.641 -6.657 1.00 62.21 H new ATOM 789 N PHE A 52 20.926 -11.893 -8.749 1.00 60.12 N ATOM 790 CA PHE A 52 20.142 -11.248 -7.702 1.00 42.14 C ATOM 791 C PHE A 52 19.211 -10.193 -8.292 1.00 73.14 C ATOM 792 O PHE A 52 18.283 -9.728 -7.630 1.00 64.51 O ATOM 793 CB PHE A 52 21.067 -10.606 -6.666 1.00 14.10 C ATOM 794 CG PHE A 52 21.366 -11.498 -5.495 1.00 62.14 C ATOM 795 CD1 PHE A 52 21.911 -12.757 -5.689 1.00 34.52 C ATOM 796 CD2 PHE A 52 21.103 -11.078 -4.202 1.00 12.33 C ATOM 797 CE1 PHE A 52 22.188 -13.581 -4.614 1.00 12.02 C ATOM 798 CE2 PHE A 52 21.378 -11.897 -3.123 1.00 3.50 C ATOM 799 CZ PHE A 52 21.920 -13.150 -3.329 1.00 63.13 C ATOM 0 H PHE A 52 21.812 -11.432 -8.957 1.00 60.12 H new ATOM 0 HA PHE A 52 19.535 -12.011 -7.214 1.00 42.14 H new ATOM 0 HB2 PHE A 52 22.004 -10.328 -7.149 1.00 14.10 H new ATOM 0 HB3 PHE A 52 20.610 -9.685 -6.304 1.00 14.10 H new ATOM 0 HD1 PHE A 52 22.122 -13.099 -6.692 1.00 34.52 H new ATOM 0 HD2 PHE A 52 20.678 -10.099 -4.035 1.00 12.33 H new ATOM 0 HE1 PHE A 52 22.613 -14.560 -4.778 1.00 12.02 H new ATOM 0 HE2 PHE A 52 21.169 -11.557 -2.119 1.00 3.50 H new ATOM 0 HZ PHE A 52 22.134 -13.792 -2.487 1.00 63.13 H new ATOM 809 N ALA A 53 19.466 -9.820 -9.542 1.00 55.31 N ATOM 810 CA ALA A 53 18.650 -8.821 -10.222 1.00 60.45 C ATOM 811 C ALA A 53 17.874 -9.442 -11.379 1.00 61.12 C ATOM 812 O ALA A 53 18.174 -10.554 -11.815 1.00 2.23 O ATOM 813 CB ALA A 53 19.522 -7.679 -10.722 1.00 70.00 C ATOM 0 H ALA A 53 20.231 -10.194 -10.104 1.00 55.31 H new ATOM 0 HA ALA A 53 17.930 -8.427 -9.505 1.00 60.45 H new ATOM 0 HB1 ALA A 53 18.900 -6.941 -11.228 1.00 70.00 H new ATOM 0 HB2 ALA A 53 20.027 -7.211 -9.878 1.00 70.00 H new ATOM 0 HB3 ALA A 53 20.264 -8.067 -11.420 1.00 70.00 H new ATOM 819 N ARG A 54 16.875 -8.717 -11.872 1.00 61.21 N ATOM 820 CA ARG A 54 16.055 -9.198 -12.977 1.00 71.13 C ATOM 821 C ARG A 54 15.648 -8.048 -13.893 1.00 50.51 C ATOM 822 O ARG A 54 14.749 -8.188 -14.723 1.00 12.41 O ATOM 823 CB ARG A 54 14.808 -9.906 -12.444 1.00 54.45 C ATOM 824 CG ARG A 54 14.995 -11.400 -12.240 1.00 64.15 C ATOM 825 CD ARG A 54 13.688 -12.155 -12.419 1.00 72.41 C ATOM 826 NE ARG A 54 13.500 -12.607 -13.795 1.00 50.23 N ATOM 827 CZ ARG A 54 12.602 -13.517 -14.154 1.00 34.20 C ATOM 828 NH1 ARG A 54 11.813 -14.070 -13.243 1.00 31.02 N ATOM 829 NH2 ARG A 54 12.491 -13.876 -15.427 1.00 34.14 N ATOM 0 H ARG A 54 16.614 -7.795 -11.524 1.00 61.21 H new ATOM 0 HA ARG A 54 16.648 -9.907 -13.555 1.00 71.13 H new ATOM 0 HB2 ARG A 54 14.520 -9.452 -11.496 1.00 54.45 H new ATOM 0 HB3 ARG A 54 13.984 -9.743 -13.138 1.00 54.45 H new ATOM 0 HG2 ARG A 54 15.733 -11.775 -12.949 1.00 64.15 H new ATOM 0 HG3 ARG A 54 15.389 -11.585 -11.241 1.00 64.15 H new ATOM 0 HD2 ARG A 54 13.672 -13.015 -11.750 1.00 72.41 H new ATOM 0 HD3 ARG A 54 12.856 -11.512 -12.132 1.00 72.41 H new ATOM 0 HE ARG A 54 14.091 -12.201 -14.520 1.00 50.23 H new ATOM 0 HH11 ARG A 54 11.895 -13.797 -12.264 1.00 31.02 H new ATOM 0 HH12 ARG A 54 11.124 -14.769 -13.522 1.00 31.02 H new ATOM 0 HH21 ARG A 54 13.096 -13.453 -16.131 1.00 34.14 H new ATOM 0 HH22 ARG A 54 11.801 -14.575 -15.701 1.00 34.14 H new ATOM 843 N THR A 55 16.316 -6.909 -13.737 1.00 12.43 N ATOM 844 CA THR A 55 16.023 -5.733 -14.547 1.00 61.44 C ATOM 845 C THR A 55 14.523 -5.473 -14.617 1.00 33.12 C ATOM 846 O THR A 55 13.848 -5.919 -15.545 1.00 32.54 O ATOM 847 CB THR A 55 16.573 -5.887 -15.978 1.00 53.12 C ATOM 848 OG1 THR A 55 15.916 -6.973 -16.642 1.00 14.45 O ATOM 849 CG2 THR A 55 18.074 -6.132 -15.958 1.00 32.42 C ATOM 0 H THR A 55 17.064 -6.776 -13.057 1.00 12.43 H new ATOM 0 HA THR A 55 16.513 -4.887 -14.065 1.00 61.44 H new ATOM 0 HB THR A 55 16.379 -4.961 -16.519 1.00 53.12 H new ATOM 0 HG1 THR A 55 15.047 -7.137 -16.220 1.00 14.45 H new ATOM 0 HG21 THR A 55 18.439 -6.237 -16.980 1.00 32.42 H new ATOM 0 HG22 THR A 55 18.574 -5.290 -15.479 1.00 32.42 H new ATOM 0 HG23 THR A 55 18.286 -7.044 -15.401 1.00 32.42 H new ATOM 857 N ASP A 56 14.007 -4.748 -13.631 1.00 12.15 N ATOM 858 CA ASP A 56 12.585 -4.426 -13.581 1.00 22.42 C ATOM 859 C ASP A 56 12.367 -3.006 -13.069 1.00 50.24 C ATOM 860 O ASP A 56 13.191 -2.470 -12.329 1.00 51.43 O ATOM 861 CB ASP A 56 11.846 -5.423 -12.686 1.00 41.14 C ATOM 862 CG ASP A 56 10.727 -6.138 -13.418 1.00 12.33 C ATOM 863 OD1 ASP A 56 10.961 -6.599 -14.554 1.00 20.52 O ATOM 864 OD2 ASP A 56 9.616 -6.234 -12.854 1.00 63.52 O ATOM 0 H ASP A 56 14.552 -4.372 -12.855 1.00 12.15 H new ATOM 0 HA ASP A 56 12.187 -4.493 -14.593 1.00 22.42 H new ATOM 0 HB2 ASP A 56 12.554 -6.158 -12.304 1.00 41.14 H new ATOM 0 HB3 ASP A 56 11.435 -4.898 -11.824 1.00 41.14 H new ATOM 869 N GLU A 57 11.252 -2.403 -13.470 1.00 43.54 N ATOM 870 CA GLU A 57 10.928 -1.043 -13.054 1.00 33.44 C ATOM 871 C GLU A 57 9.924 -1.052 -11.904 1.00 51.23 C ATOM 872 O GLU A 57 9.676 -2.090 -11.291 1.00 31.23 O ATOM 873 CB GLU A 57 10.364 -0.246 -14.232 1.00 2.24 C ATOM 874 CG GLU A 57 9.003 -0.731 -14.700 1.00 33.53 C ATOM 875 CD GLU A 57 7.880 0.208 -14.304 1.00 44.31 C ATOM 876 OE1 GLU A 57 8.102 1.437 -14.319 1.00 13.02 O ATOM 877 OE2 GLU A 57 6.780 -0.286 -13.980 1.00 22.01 O ATOM 0 H GLU A 57 10.559 -2.834 -14.082 1.00 43.54 H new ATOM 0 HA GLU A 57 11.846 -0.567 -12.709 1.00 33.44 H new ATOM 0 HB2 GLU A 57 10.288 0.803 -13.946 1.00 2.24 H new ATOM 0 HB3 GLU A 57 11.065 -0.300 -15.065 1.00 2.24 H new ATOM 0 HG2 GLU A 57 9.014 -0.841 -15.784 1.00 33.53 H new ATOM 0 HG3 GLU A 57 8.810 -1.719 -14.281 1.00 33.53 H new ATOM 884 N ILE A 58 9.351 0.112 -11.619 1.00 13.42 N ATOM 885 CA ILE A 58 8.374 0.239 -10.544 1.00 40.22 C ATOM 886 C ILE A 58 6.971 0.460 -11.100 1.00 2.13 C ATOM 887 O ILE A 58 6.758 1.327 -11.947 1.00 74.50 O ATOM 888 CB ILE A 58 8.727 1.401 -9.597 1.00 25.45 C ATOM 889 CG1 ILE A 58 9.538 2.465 -10.339 1.00 21.10 C ATOM 890 CG2 ILE A 58 9.499 0.885 -8.391 1.00 61.51 C ATOM 891 CD1 ILE A 58 8.752 3.182 -11.414 1.00 10.52 C ATOM 0 H ILE A 58 9.546 0.981 -12.117 1.00 13.42 H new ATOM 0 HA ILE A 58 8.398 -0.696 -9.984 1.00 40.22 H new ATOM 0 HB ILE A 58 7.802 1.857 -9.245 1.00 25.45 H new ATOM 0 HG12 ILE A 58 9.906 3.197 -9.620 1.00 21.10 H new ATOM 0 HG13 ILE A 58 10.411 1.995 -10.791 1.00 21.10 H new ATOM 0 HG21 ILE A 58 9.741 1.718 -7.731 1.00 61.51 H new ATOM 0 HG22 ILE A 58 8.889 0.160 -7.852 1.00 61.51 H new ATOM 0 HG23 ILE A 58 10.420 0.407 -8.726 1.00 61.51 H new ATOM 0 HD11 ILE A 58 9.389 3.922 -11.898 1.00 10.52 H new ATOM 0 HD12 ILE A 58 8.406 2.461 -12.154 1.00 10.52 H new ATOM 0 HD13 ILE A 58 7.893 3.681 -10.965 1.00 10.52 H new ATOM 903 N MET A 59 6.018 -0.329 -10.615 1.00 12.32 N ATOM 904 CA MET A 59 4.634 -0.217 -11.061 1.00 32.12 C ATOM 905 C MET A 59 3.952 0.988 -10.421 1.00 41.33 C ATOM 906 O MET A 59 4.425 1.546 -9.431 1.00 21.02 O ATOM 907 CB MET A 59 3.862 -1.494 -10.722 1.00 12.31 C ATOM 908 CG MET A 59 3.611 -2.389 -11.924 1.00 72.32 C ATOM 909 SD MET A 59 2.293 -3.586 -11.636 1.00 12.40 S ATOM 910 CE MET A 59 1.428 -3.521 -13.203 1.00 63.03 C ATOM 0 H MET A 59 6.178 -1.052 -9.914 1.00 12.32 H new ATOM 0 HA MET A 59 4.637 -0.078 -12.142 1.00 32.12 H new ATOM 0 HB2 MET A 59 4.417 -2.056 -9.971 1.00 12.31 H new ATOM 0 HB3 MET A 59 2.906 -1.223 -10.275 1.00 12.31 H new ATOM 0 HG2 MET A 59 3.354 -1.771 -12.785 1.00 72.32 H new ATOM 0 HG3 MET A 59 4.530 -2.919 -12.175 1.00 72.32 H new ATOM 0 HE1 MET A 59 0.583 -4.209 -13.181 1.00 63.03 H new ATOM 0 HE2 MET A 59 1.066 -2.508 -13.377 1.00 63.03 H new ATOM 0 HE3 MET A 59 2.108 -3.806 -14.006 1.00 63.03 H new ATOM 920 N PRO A 60 2.814 1.402 -10.999 1.00 64.51 N ATOM 921 CA PRO A 60 2.044 2.545 -10.501 1.00 73.15 C ATOM 922 C PRO A 60 1.373 2.254 -9.163 1.00 63.22 C ATOM 923 O PRO A 60 0.895 3.164 -8.488 1.00 4.44 O ATOM 924 CB PRO A 60 0.991 2.764 -11.591 1.00 34.14 C ATOM 925 CG PRO A 60 0.837 1.433 -12.242 1.00 43.03 C ATOM 926 CD PRO A 60 2.192 0.784 -12.182 1.00 44.04 C ATOM 0 HA PRO A 60 2.676 3.414 -10.318 1.00 73.15 H new ATOM 0 HB2 PRO A 60 0.048 3.109 -11.167 1.00 34.14 H new ATOM 0 HB3 PRO A 60 1.314 3.520 -12.307 1.00 34.14 H new ATOM 0 HG2 PRO A 60 0.092 0.829 -11.724 1.00 43.03 H new ATOM 0 HG3 PRO A 60 0.501 1.539 -13.273 1.00 43.03 H new ATOM 0 HD2 PRO A 60 2.115 -0.298 -12.076 1.00 44.04 H new ATOM 0 HD3 PRO A 60 2.770 0.976 -13.086 1.00 44.04 H new ATOM 934 N GLU A 61 1.343 0.979 -8.787 1.00 15.23 N ATOM 935 CA GLU A 61 0.730 0.570 -7.528 1.00 72.44 C ATOM 936 C GLU A 61 1.723 0.687 -6.376 1.00 62.10 C ATOM 937 O GLU A 61 1.334 0.734 -5.209 1.00 73.40 O ATOM 938 CB GLU A 61 0.217 -0.868 -7.630 1.00 33.44 C ATOM 939 CG GLU A 61 1.313 -1.915 -7.519 1.00 12.12 C ATOM 940 CD GLU A 61 0.912 -3.246 -8.125 1.00 42.44 C ATOM 941 OE1 GLU A 61 0.189 -3.241 -9.144 1.00 4.35 O ATOM 942 OE2 GLU A 61 1.322 -4.292 -7.581 1.00 65.44 O ATOM 0 H GLU A 61 1.735 0.213 -9.335 1.00 15.23 H new ATOM 0 HA GLU A 61 -0.110 1.235 -7.329 1.00 72.44 H new ATOM 0 HB2 GLU A 61 -0.518 -1.039 -6.844 1.00 33.44 H new ATOM 0 HB3 GLU A 61 -0.299 -0.994 -8.582 1.00 33.44 H new ATOM 0 HG2 GLU A 61 2.211 -1.549 -8.017 1.00 12.12 H new ATOM 0 HG3 GLU A 61 1.567 -2.060 -6.469 1.00 12.12 H new ATOM 949 N ASP A 62 3.007 0.733 -6.712 1.00 45.34 N ATOM 950 CA ASP A 62 4.058 0.846 -5.707 1.00 33.52 C ATOM 951 C ASP A 62 4.962 2.040 -5.996 1.00 74.21 C ATOM 952 O ASP A 62 4.649 2.879 -6.841 1.00 72.11 O ATOM 953 CB ASP A 62 4.887 -0.438 -5.660 1.00 25.42 C ATOM 954 CG ASP A 62 4.373 -1.496 -6.616 1.00 54.13 C ATOM 955 OD1 ASP A 62 4.480 -1.290 -7.843 1.00 43.55 O ATOM 956 OD2 ASP A 62 3.863 -2.530 -6.138 1.00 33.42 O ATOM 0 H ASP A 62 3.346 0.694 -7.673 1.00 45.34 H new ATOM 0 HA ASP A 62 3.584 1.000 -4.737 1.00 33.52 H new ATOM 0 HB2 ASP A 62 5.924 -0.206 -5.903 1.00 25.42 H new ATOM 0 HB3 ASP A 62 4.879 -0.835 -4.645 1.00 25.42 H new ATOM 961 N LYS A 63 6.084 2.111 -5.288 1.00 71.14 N ATOM 962 CA LYS A 63 7.035 3.202 -5.468 1.00 75.22 C ATOM 963 C LYS A 63 8.451 2.750 -5.129 1.00 45.23 C ATOM 964 O LYS A 63 8.681 1.587 -4.797 1.00 22.30 O ATOM 965 CB LYS A 63 6.645 4.395 -4.592 1.00 71.33 C ATOM 966 CG LYS A 63 5.585 4.067 -3.555 1.00 1.12 C ATOM 967 CD LYS A 63 5.496 5.146 -2.489 1.00 54.40 C ATOM 968 CE LYS A 63 4.450 6.193 -2.842 1.00 43.34 C ATOM 969 NZ LYS A 63 3.111 5.848 -2.290 1.00 50.32 N ATOM 0 H LYS A 63 6.357 1.426 -4.584 1.00 71.14 H new ATOM 0 HA LYS A 63 7.010 3.504 -6.515 1.00 75.22 H new ATOM 0 HB2 LYS A 63 7.534 4.769 -4.085 1.00 71.33 H new ATOM 0 HB3 LYS A 63 6.280 5.200 -5.230 1.00 71.33 H new ATOM 0 HG2 LYS A 63 4.617 3.957 -4.045 1.00 1.12 H new ATOM 0 HG3 LYS A 63 5.816 3.110 -3.087 1.00 1.12 H new ATOM 0 HD2 LYS A 63 5.248 4.692 -1.530 1.00 54.40 H new ATOM 0 HD3 LYS A 63 6.468 5.626 -2.373 1.00 54.40 H new ATOM 0 HE2 LYS A 63 4.763 7.163 -2.456 1.00 43.34 H new ATOM 0 HE3 LYS A 63 4.382 6.288 -3.926 1.00 43.34 H new ATOM 0 HZ1 LYS A 63 2.427 6.586 -2.552 1.00 50.32 H new ATOM 0 HZ2 LYS A 63 2.801 4.934 -2.678 1.00 50.32 H new ATOM 0 HZ3 LYS A 63 3.169 5.783 -1.254 1.00 50.32 H new ATOM 983 N THR A 64 9.400 3.678 -5.214 1.00 11.01 N ATOM 984 CA THR A 64 10.794 3.375 -4.916 1.00 10.41 C ATOM 985 C THR A 64 11.294 4.196 -3.732 1.00 71.24 C ATOM 986 O THR A 64 11.422 5.417 -3.820 1.00 53.13 O ATOM 987 CB THR A 64 11.700 3.645 -6.132 1.00 52.32 C ATOM 988 OG1 THR A 64 11.295 2.828 -7.236 1.00 34.32 O ATOM 989 CG2 THR A 64 13.156 3.365 -5.795 1.00 5.11 C ATOM 0 H THR A 64 9.228 4.646 -5.487 1.00 11.01 H new ATOM 0 HA THR A 64 10.841 2.315 -4.666 1.00 10.41 H new ATOM 0 HB THR A 64 11.602 4.696 -6.403 1.00 52.32 H new ATOM 0 HG1 THR A 64 11.684 1.933 -7.141 1.00 34.32 H new ATOM 0 HG21 THR A 64 13.776 3.563 -6.669 1.00 5.11 H new ATOM 0 HG22 THR A 64 13.470 4.010 -4.974 1.00 5.11 H new ATOM 0 HG23 THR A 64 13.267 2.322 -5.500 1.00 5.11 H new ATOM 997 N VAL A 65 11.576 3.517 -2.625 1.00 4.12 N ATOM 998 CA VAL A 65 12.065 4.183 -1.423 1.00 55.44 C ATOM 999 C VAL A 65 13.241 5.099 -1.742 1.00 51.24 C ATOM 1000 O VAL A 65 13.371 6.182 -1.172 1.00 71.52 O ATOM 1001 CB VAL A 65 12.497 3.164 -0.353 1.00 2.12 C ATOM 1002 CG1 VAL A 65 13.317 2.047 -0.979 1.00 63.25 C ATOM 1003 CG2 VAL A 65 13.280 3.854 0.754 1.00 14.52 C ATOM 0 H VAL A 65 11.474 2.506 -2.535 1.00 4.12 H new ATOM 0 HA VAL A 65 11.240 4.779 -1.033 1.00 55.44 H new ATOM 0 HB VAL A 65 11.602 2.723 0.086 1.00 2.12 H new ATOM 0 HG11 VAL A 65 13.613 1.337 -0.207 1.00 63.25 H new ATOM 0 HG12 VAL A 65 12.719 1.535 -1.733 1.00 63.25 H new ATOM 0 HG13 VAL A 65 14.208 2.467 -1.446 1.00 63.25 H new ATOM 0 HG21 VAL A 65 13.577 3.119 1.502 1.00 14.52 H new ATOM 0 HG22 VAL A 65 14.169 4.323 0.333 1.00 14.52 H new ATOM 0 HG23 VAL A 65 12.655 4.615 1.222 1.00 14.52 H new ATOM 1013 N GLY A 66 14.097 4.657 -2.659 1.00 54.10 N ATOM 1014 CA GLY A 66 15.252 5.449 -3.039 1.00 13.31 C ATOM 1015 C GLY A 66 16.373 4.603 -3.608 1.00 4.23 C ATOM 1016 O GLY A 66 16.186 3.420 -3.891 1.00 31.23 O ATOM 0 H GLY A 66 14.011 3.765 -3.145 1.00 54.10 H new ATOM 0 HA2 GLY A 66 14.952 6.193 -3.777 1.00 13.31 H new ATOM 0 HA3 GLY A 66 15.618 5.993 -2.168 1.00 13.31 H new ATOM 1020 N PHE A 67 17.543 5.211 -3.778 1.00 30.24 N ATOM 1021 CA PHE A 67 18.699 4.506 -4.319 1.00 40.13 C ATOM 1022 C PHE A 67 19.929 4.727 -3.444 1.00 65.53 C ATOM 1023 O PHE A 67 20.077 5.773 -2.813 1.00 32.03 O ATOM 1024 CB PHE A 67 18.985 4.974 -5.748 1.00 33.12 C ATOM 1025 CG PHE A 67 19.426 6.407 -5.832 1.00 55.24 C ATOM 1026 CD1 PHE A 67 20.759 6.746 -5.672 1.00 3.34 C ATOM 1027 CD2 PHE A 67 18.506 7.416 -6.072 1.00 70.41 C ATOM 1028 CE1 PHE A 67 21.168 8.064 -5.749 1.00 44.32 C ATOM 1029 CE2 PHE A 67 18.909 8.735 -6.151 1.00 42.12 C ATOM 1030 CZ PHE A 67 20.242 9.060 -5.988 1.00 52.13 C ATOM 0 H PHE A 67 17.715 6.190 -3.549 1.00 30.24 H new ATOM 0 HA PHE A 67 18.470 3.440 -4.332 1.00 40.13 H new ATOM 0 HB2 PHE A 67 19.757 4.339 -6.182 1.00 33.12 H new ATOM 0 HB3 PHE A 67 18.087 4.843 -6.352 1.00 33.12 H new ATOM 0 HD1 PHE A 67 21.488 5.971 -5.485 1.00 3.34 H new ATOM 0 HD2 PHE A 67 17.463 7.168 -6.199 1.00 70.41 H new ATOM 0 HE1 PHE A 67 22.211 8.315 -5.622 1.00 44.32 H new ATOM 0 HE2 PHE A 67 18.183 9.512 -6.340 1.00 42.12 H new ATOM 0 HZ PHE A 67 20.559 10.091 -6.047 1.00 52.13 H new ATOM 1040 N VAL A 68 20.811 3.732 -3.412 1.00 10.13 N ATOM 1041 CA VAL A 68 22.029 3.816 -2.615 1.00 43.12 C ATOM 1042 C VAL A 68 23.270 3.748 -3.499 1.00 54.22 C ATOM 1043 O VAL A 68 23.404 2.850 -4.331 1.00 2.52 O ATOM 1044 CB VAL A 68 22.095 2.687 -1.570 1.00 2.25 C ATOM 1045 CG1 VAL A 68 23.404 2.751 -0.796 1.00 74.04 C ATOM 1046 CG2 VAL A 68 20.905 2.765 -0.626 1.00 15.40 C ATOM 0 H VAL A 68 20.704 2.859 -3.929 1.00 10.13 H new ATOM 0 HA VAL A 68 22.005 4.777 -2.100 1.00 43.12 H new ATOM 0 HB VAL A 68 22.055 1.731 -2.091 1.00 2.25 H new ATOM 0 HG11 VAL A 68 23.433 1.946 -0.062 1.00 74.04 H new ATOM 0 HG12 VAL A 68 24.241 2.643 -1.486 1.00 74.04 H new ATOM 0 HG13 VAL A 68 23.478 3.711 -0.284 1.00 74.04 H new ATOM 0 HG21 VAL A 68 20.968 1.960 0.106 1.00 15.40 H new ATOM 0 HG22 VAL A 68 20.912 3.725 -0.110 1.00 15.40 H new ATOM 0 HG23 VAL A 68 19.981 2.666 -1.196 1.00 15.40 H new ATOM 1056 N VAL A 69 24.175 4.704 -3.313 1.00 70.44 N ATOM 1057 CA VAL A 69 25.406 4.752 -4.093 1.00 23.02 C ATOM 1058 C VAL A 69 26.604 4.316 -3.256 1.00 12.30 C ATOM 1059 O VAL A 69 26.926 4.937 -2.243 1.00 11.21 O ATOM 1060 CB VAL A 69 25.666 6.166 -4.644 1.00 44.50 C ATOM 1061 CG1 VAL A 69 26.928 6.185 -5.493 1.00 41.04 C ATOM 1062 CG2 VAL A 69 24.468 6.655 -5.444 1.00 22.21 C ATOM 0 H VAL A 69 24.079 5.455 -2.630 1.00 70.44 H new ATOM 0 HA VAL A 69 25.279 4.063 -4.928 1.00 23.02 H new ATOM 0 HB VAL A 69 25.813 6.843 -3.803 1.00 44.50 H new ATOM 0 HG11 VAL A 69 27.095 7.193 -5.874 1.00 41.04 H new ATOM 0 HG12 VAL A 69 27.780 5.881 -4.885 1.00 41.04 H new ATOM 0 HG13 VAL A 69 26.814 5.495 -6.329 1.00 41.04 H new ATOM 0 HG21 VAL A 69 24.669 7.656 -5.826 1.00 22.21 H new ATOM 0 HG22 VAL A 69 24.287 5.978 -6.279 1.00 22.21 H new ATOM 0 HG23 VAL A 69 23.588 6.682 -4.801 1.00 22.21 H new ATOM 1072 N VAL A 70 27.261 3.244 -3.687 1.00 2.23 N ATOM 1073 CA VAL A 70 28.425 2.725 -2.978 1.00 42.43 C ATOM 1074 C VAL A 70 29.630 2.616 -3.906 1.00 53.24 C ATOM 1075 O VAL A 70 29.604 1.876 -4.889 1.00 11.13 O ATOM 1076 CB VAL A 70 28.138 1.343 -2.363 1.00 73.23 C ATOM 1077 CG1 VAL A 70 29.261 0.932 -1.423 1.00 51.42 C ATOM 1078 CG2 VAL A 70 26.800 1.350 -1.638 1.00 44.42 C ATOM 0 H VAL A 70 27.007 2.718 -4.523 1.00 2.23 H new ATOM 0 HA VAL A 70 28.649 3.431 -2.178 1.00 42.43 H new ATOM 0 HB VAL A 70 28.085 0.610 -3.168 1.00 73.23 H new ATOM 0 HG11 VAL A 70 29.040 -0.047 -0.998 1.00 51.42 H new ATOM 0 HG12 VAL A 70 30.199 0.884 -1.976 1.00 51.42 H new ATOM 0 HG13 VAL A 70 29.350 1.664 -0.620 1.00 51.42 H new ATOM 0 HG21 VAL A 70 26.613 0.365 -1.209 1.00 44.42 H new ATOM 0 HG22 VAL A 70 26.821 2.094 -0.842 1.00 44.42 H new ATOM 0 HG23 VAL A 70 26.006 1.596 -2.343 1.00 44.42 H new ATOM 1088 N ASN A 71 30.685 3.358 -3.587 1.00 50.52 N ATOM 1089 CA ASN A 71 31.901 3.345 -4.393 1.00 14.22 C ATOM 1090 C ASN A 71 33.094 2.871 -3.569 1.00 0.41 C ATOM 1091 O ASN A 71 33.551 3.567 -2.663 1.00 4.40 O ATOM 1092 CB ASN A 71 32.178 4.740 -4.958 1.00 21.22 C ATOM 1093 CG ASN A 71 30.993 5.301 -5.720 1.00 3.11 C ATOM 1094 OD1 ASN A 71 30.752 4.937 -6.871 1.00 23.31 O ATOM 1095 ND2 ASN A 71 30.247 6.193 -5.079 1.00 50.44 N ATOM 0 H ASN A 71 30.723 3.976 -2.776 1.00 50.52 H new ATOM 0 HA ASN A 71 31.753 2.649 -5.219 1.00 14.22 H new ATOM 0 HB2 ASN A 71 32.434 5.415 -4.142 1.00 21.22 H new ATOM 0 HB3 ASN A 71 33.044 4.696 -5.619 1.00 21.22 H new ATOM 0 HD21 ASN A 71 29.437 6.606 -5.541 1.00 50.44 H new ATOM 0 HD22 ASN A 71 30.484 6.465 -4.125 1.00 50.44 H new ATOM 1102 N ALA A 72 33.594 1.683 -3.891 1.00 32.31 N ATOM 1103 CA ALA A 72 34.735 1.117 -3.183 1.00 23.21 C ATOM 1104 C ALA A 72 36.010 1.897 -3.485 1.00 64.43 C ATOM 1105 O ALA A 72 36.863 2.072 -2.615 1.00 0.53 O ATOM 1106 CB ALA A 72 34.911 -0.349 -3.551 1.00 50.02 C ATOM 0 H ALA A 72 33.227 1.094 -4.638 1.00 32.31 H new ATOM 0 HA ALA A 72 34.540 1.190 -2.113 1.00 23.21 H new ATOM 0 HB1 ALA A 72 35.767 -0.759 -3.015 1.00 50.02 H new ATOM 0 HB2 ALA A 72 34.013 -0.903 -3.278 1.00 50.02 H new ATOM 0 HB3 ALA A 72 35.079 -0.437 -4.624 1.00 50.02 H new ATOM 1112 N ASP A 73 36.135 2.361 -4.724 1.00 15.14 N ATOM 1113 CA ASP A 73 37.306 3.123 -5.141 1.00 21.23 C ATOM 1114 C ASP A 73 37.456 4.390 -4.304 1.00 65.25 C ATOM 1115 O ASP A 73 38.569 4.804 -3.980 1.00 25.14 O ATOM 1116 CB ASP A 73 37.204 3.485 -6.623 1.00 64.53 C ATOM 1117 CG ASP A 73 36.461 4.786 -6.852 1.00 71.21 C ATOM 1118 OD1 ASP A 73 35.237 4.820 -6.609 1.00 74.44 O ATOM 1119 OD2 ASP A 73 37.103 5.770 -7.275 1.00 1.11 O ATOM 0 H ASP A 73 35.439 2.222 -5.457 1.00 15.14 H new ATOM 0 HA ASP A 73 38.188 2.501 -4.987 1.00 21.23 H new ATOM 0 HB2 ASP A 73 38.206 3.563 -7.044 1.00 64.53 H new ATOM 0 HB3 ASP A 73 36.696 2.681 -7.156 1.00 64.53 H new ATOM 1124 N LYS A 74 36.329 5.002 -3.960 1.00 11.33 N ATOM 1125 CA LYS A 74 36.334 6.222 -3.161 1.00 54.22 C ATOM 1126 C LYS A 74 36.171 5.903 -1.679 1.00 32.34 C ATOM 1127 O LYS A 74 36.432 6.745 -0.819 1.00 21.51 O ATOM 1128 CB LYS A 74 35.213 7.159 -3.618 1.00 3.52 C ATOM 1129 CG LYS A 74 35.476 7.811 -4.964 1.00 63.15 C ATOM 1130 CD LYS A 74 36.534 8.897 -4.862 1.00 23.44 C ATOM 1131 CE LYS A 74 35.972 10.166 -4.240 1.00 72.15 C ATOM 1132 NZ LYS A 74 34.976 10.825 -5.131 1.00 5.13 N ATOM 0 H LYS A 74 35.400 4.673 -4.222 1.00 11.33 H new ATOM 0 HA LYS A 74 37.295 6.717 -3.304 1.00 54.22 H new ATOM 0 HB2 LYS A 74 34.281 6.597 -3.672 1.00 3.52 H new ATOM 0 HB3 LYS A 74 35.073 7.937 -2.868 1.00 3.52 H new ATOM 0 HG2 LYS A 74 35.799 7.054 -5.679 1.00 63.15 H new ATOM 0 HG3 LYS A 74 34.550 8.239 -5.349 1.00 63.15 H new ATOM 0 HD2 LYS A 74 37.370 8.537 -4.263 1.00 23.44 H new ATOM 0 HD3 LYS A 74 36.925 9.120 -5.855 1.00 23.44 H new ATOM 0 HE2 LYS A 74 35.503 9.926 -3.286 1.00 72.15 H new ATOM 0 HE3 LYS A 74 36.786 10.859 -4.030 1.00 72.15 H new ATOM 0 HZ1 LYS A 74 34.844 11.813 -4.834 1.00 5.13 H new ATOM 0 HZ2 LYS A 74 35.319 10.802 -6.112 1.00 5.13 H new ATOM 0 HZ3 LYS A 74 34.068 10.321 -5.070 1.00 5.13 H new ATOM 1146 N LYS A 75 35.739 4.681 -1.385 1.00 72.13 N ATOM 1147 CA LYS A 75 35.544 4.248 -0.007 1.00 14.23 C ATOM 1148 C LYS A 75 34.440 5.058 0.667 1.00 43.03 C ATOM 1149 O LYS A 75 34.550 5.422 1.838 1.00 4.42 O ATOM 1150 CB LYS A 75 36.847 4.388 0.783 1.00 63.43 C ATOM 1151 CG LYS A 75 37.057 3.289 1.810 1.00 33.31 C ATOM 1152 CD LYS A 75 38.101 3.682 2.842 1.00 74.40 C ATOM 1153 CE LYS A 75 37.607 4.812 3.732 1.00 50.35 C ATOM 1154 NZ LYS A 75 38.411 4.927 4.980 1.00 35.00 N ATOM 0 H LYS A 75 35.517 3.972 -2.084 1.00 72.13 H new ATOM 0 HA LYS A 75 35.245 3.200 -0.021 1.00 14.23 H new ATOM 0 HB2 LYS A 75 37.686 4.388 0.087 1.00 63.43 H new ATOM 0 HB3 LYS A 75 36.853 5.353 1.290 1.00 63.43 H new ATOM 0 HG2 LYS A 75 36.113 3.072 2.310 1.00 33.31 H new ATOM 0 HG3 LYS A 75 37.368 2.374 1.306 1.00 33.31 H new ATOM 0 HD2 LYS A 75 38.351 2.817 3.456 1.00 74.40 H new ATOM 0 HD3 LYS A 75 39.016 3.989 2.336 1.00 74.40 H new ATOM 0 HE2 LYS A 75 37.652 5.753 3.183 1.00 50.35 H new ATOM 0 HE3 LYS A 75 36.561 4.642 3.988 1.00 50.35 H new ATOM 0 HZ1 LYS A 75 38.043 5.708 5.559 1.00 35.00 H new ATOM 0 HZ2 LYS A 75 38.348 4.038 5.517 1.00 35.00 H new ATOM 0 HZ3 LYS A 75 39.405 5.115 4.737 1.00 35.00 H new ATOM 1168 N LEU A 76 33.377 5.335 -0.080 1.00 11.44 N ATOM 1169 CA LEU A 76 32.252 6.101 0.446 1.00 11.11 C ATOM 1170 C LEU A 76 30.926 5.518 -0.031 1.00 72.31 C ATOM 1171 O LEU A 76 30.849 4.924 -1.106 1.00 71.12 O ATOM 1172 CB LEU A 76 32.362 7.565 0.018 1.00 54.44 C ATOM 1173 CG LEU A 76 33.055 7.823 -1.320 1.00 44.15 C ATOM 1174 CD1 LEU A 76 32.176 7.367 -2.474 1.00 60.33 C ATOM 1175 CD2 LEU A 76 33.405 9.297 -1.465 1.00 2.03 C ATOM 0 H LEU A 76 33.270 5.041 -1.051 1.00 11.44 H new ATOM 0 HA LEU A 76 32.282 6.044 1.534 1.00 11.11 H new ATOM 0 HB2 LEU A 76 31.357 7.985 -0.029 1.00 54.44 H new ATOM 0 HB3 LEU A 76 32.900 8.110 0.794 1.00 54.44 H new ATOM 0 HG LEU A 76 33.980 7.246 -1.344 1.00 44.15 H new ATOM 0 HD11 LEU A 76 32.686 7.559 -3.418 1.00 60.33 H new ATOM 0 HD12 LEU A 76 31.977 6.300 -2.380 1.00 60.33 H new ATOM 0 HD13 LEU A 76 31.234 7.915 -2.453 1.00 60.33 H new ATOM 0 HD21 LEU A 76 33.898 9.461 -2.423 1.00 2.03 H new ATOM 0 HD22 LEU A 76 32.494 9.894 -1.418 1.00 2.03 H new ATOM 0 HD23 LEU A 76 34.075 9.593 -0.657 1.00 2.03 H new ATOM 1187 N MET A 77 29.884 5.693 0.775 1.00 51.20 N ATOM 1188 CA MET A 77 28.560 5.187 0.433 1.00 73.01 C ATOM 1189 C MET A 77 27.472 6.145 0.908 1.00 31.23 C ATOM 1190 O MET A 77 27.439 6.531 2.077 1.00 61.03 O ATOM 1191 CB MET A 77 28.344 3.804 1.051 1.00 53.22 C ATOM 1192 CG MET A 77 26.893 3.351 1.035 1.00 53.34 C ATOM 1193 SD MET A 77 26.020 3.760 2.559 1.00 44.23 S ATOM 1194 CE MET A 77 26.979 2.835 3.756 1.00 1.31 C ATOM 0 H MET A 77 29.931 6.181 1.669 1.00 51.20 H new ATOM 0 HA MET A 77 28.499 5.106 -0.652 1.00 73.01 H new ATOM 0 HB2 MET A 77 28.949 3.076 0.512 1.00 53.22 H new ATOM 0 HB3 MET A 77 28.701 3.815 2.081 1.00 53.22 H new ATOM 0 HG2 MET A 77 26.381 3.815 0.192 1.00 53.34 H new ATOM 0 HG3 MET A 77 26.855 2.273 0.877 1.00 53.34 H new ATOM 0 HE1 MET A 77 26.562 2.986 4.752 1.00 1.31 H new ATOM 0 HE2 MET A 77 26.947 1.774 3.506 1.00 1.31 H new ATOM 0 HE3 MET A 77 28.013 3.181 3.739 1.00 1.31 H new ATOM 1204 N SER A 78 26.584 6.525 -0.005 1.00 33.44 N ATOM 1205 CA SER A 78 25.497 7.441 0.321 1.00 71.20 C ATOM 1206 C SER A 78 24.143 6.814 0.001 1.00 24.41 C ATOM 1207 O SER A 78 23.972 6.174 -1.037 1.00 1.31 O ATOM 1208 CB SER A 78 25.659 8.752 -0.450 1.00 10.31 C ATOM 1209 OG SER A 78 27.007 9.189 -0.435 1.00 51.32 O ATOM 0 H SER A 78 26.596 6.213 -0.976 1.00 33.44 H new ATOM 0 HA SER A 78 25.538 7.648 1.390 1.00 71.20 H new ATOM 0 HB2 SER A 78 25.329 8.615 -1.480 1.00 10.31 H new ATOM 0 HB3 SER A 78 25.020 9.518 -0.010 1.00 10.31 H new ATOM 0 HG SER A 78 27.085 10.028 -0.936 1.00 51.32 H new ATOM 1215 N VAL A 79 23.184 7.001 0.901 1.00 14.35 N ATOM 1216 CA VAL A 79 21.844 6.456 0.716 1.00 23.33 C ATOM 1217 C VAL A 79 20.805 7.568 0.631 1.00 71.41 C ATOM 1218 O VAL A 79 20.640 8.351 1.566 1.00 24.22 O ATOM 1219 CB VAL A 79 21.464 5.500 1.863 1.00 63.44 C ATOM 1220 CG1 VAL A 79 20.064 4.944 1.653 1.00 61.24 C ATOM 1221 CG2 VAL A 79 22.482 4.375 1.977 1.00 72.52 C ATOM 0 H VAL A 79 23.310 7.526 1.766 1.00 14.35 H new ATOM 0 HA VAL A 79 21.855 5.901 -0.222 1.00 23.33 H new ATOM 0 HB VAL A 79 21.470 6.061 2.798 1.00 63.44 H new ATOM 0 HG11 VAL A 79 19.813 4.271 2.473 1.00 61.24 H new ATOM 0 HG12 VAL A 79 19.347 5.765 1.625 1.00 61.24 H new ATOM 0 HG13 VAL A 79 20.027 4.397 0.711 1.00 61.24 H new ATOM 0 HG21 VAL A 79 22.199 3.709 2.792 1.00 72.52 H new ATOM 0 HG22 VAL A 79 22.510 3.814 1.043 1.00 72.52 H new ATOM 0 HG23 VAL A 79 23.468 4.795 2.178 1.00 72.52 H new ATOM 1231 N SER A 80 20.105 7.630 -0.497 1.00 52.42 N ATOM 1232 CA SER A 80 19.083 8.649 -0.707 1.00 35.02 C ATOM 1233 C SER A 80 17.705 8.012 -0.860 1.00 14.21 C ATOM 1234 O SER A 80 17.472 7.220 -1.774 1.00 11.44 O ATOM 1235 CB SER A 80 19.411 9.484 -1.946 1.00 3.44 C ATOM 1236 OG SER A 80 18.490 10.550 -2.101 1.00 44.11 O ATOM 0 H SER A 80 20.227 6.987 -1.279 1.00 52.42 H new ATOM 0 HA SER A 80 19.069 9.300 0.167 1.00 35.02 H new ATOM 0 HB2 SER A 80 20.422 9.882 -1.863 1.00 3.44 H new ATOM 0 HB3 SER A 80 19.390 8.849 -2.832 1.00 3.44 H new ATOM 0 HG SER A 80 18.722 11.070 -2.899 1.00 44.11 H new ATOM 1242 N PHE A 81 16.794 8.364 0.042 1.00 72.14 N ATOM 1243 CA PHE A 81 15.438 7.827 0.009 1.00 64.22 C ATOM 1244 C PHE A 81 14.413 8.922 0.284 1.00 15.24 C ATOM 1245 O PHE A 81 14.651 9.823 1.089 1.00 31.54 O ATOM 1246 CB PHE A 81 15.288 6.702 1.035 1.00 71.43 C ATOM 1247 CG PHE A 81 15.897 7.022 2.370 1.00 44.05 C ATOM 1248 CD1 PHE A 81 15.298 7.940 3.217 1.00 44.21 C ATOM 1249 CD2 PHE A 81 17.069 6.405 2.777 1.00 31.22 C ATOM 1250 CE1 PHE A 81 15.858 8.237 4.445 1.00 14.43 C ATOM 1251 CE2 PHE A 81 17.633 6.698 4.005 1.00 74.41 C ATOM 1252 CZ PHE A 81 17.025 7.614 4.840 1.00 4.44 C ATOM 0 H PHE A 81 16.970 9.018 0.804 1.00 72.14 H new ATOM 0 HA PHE A 81 15.256 7.426 -0.988 1.00 64.22 H new ATOM 0 HB2 PHE A 81 14.229 6.484 1.171 1.00 71.43 H new ATOM 0 HB3 PHE A 81 15.751 5.798 0.641 1.00 71.43 H new ATOM 0 HD1 PHE A 81 14.384 8.429 2.914 1.00 44.21 H new ATOM 0 HD2 PHE A 81 17.548 5.687 2.128 1.00 31.22 H new ATOM 0 HE1 PHE A 81 15.383 8.956 5.096 1.00 14.43 H new ATOM 0 HE2 PHE A 81 18.547 6.211 4.310 1.00 74.41 H new ATOM 0 HZ PHE A 81 17.462 7.843 5.801 1.00 4.44 H new ATOM 1262 N SER A 82 13.270 8.838 -0.390 1.00 44.43 N ATOM 1263 CA SER A 82 12.209 9.824 -0.222 1.00 41.22 C ATOM 1264 C SER A 82 10.940 9.170 0.315 1.00 30.12 C ATOM 1265 O SER A 82 10.715 7.975 0.123 1.00 25.32 O ATOM 1266 CB SER A 82 11.914 10.519 -1.553 1.00 1.11 C ATOM 1267 OG SER A 82 12.786 11.617 -1.759 1.00 63.33 O ATOM 0 H SER A 82 13.055 8.097 -1.057 1.00 44.43 H new ATOM 0 HA SER A 82 12.548 10.567 0.500 1.00 41.22 H new ATOM 0 HB2 SER A 82 12.022 9.806 -2.371 1.00 1.11 H new ATOM 0 HB3 SER A 82 10.880 10.864 -1.565 1.00 1.11 H new ATOM 0 HG SER A 82 12.578 12.043 -2.617 1.00 63.33 H new ATOM 1273 N ASP A 83 10.114 9.962 0.989 1.00 35.01 N ATOM 1274 CA ASP A 83 8.866 9.462 1.554 1.00 33.42 C ATOM 1275 C ASP A 83 9.006 8.002 1.974 1.00 61.33 C ATOM 1276 O ASP A 83 8.668 7.093 1.215 1.00 22.40 O ATOM 1277 CB ASP A 83 7.728 9.607 0.542 1.00 2.22 C ATOM 1278 CG ASP A 83 7.131 11.000 0.540 1.00 55.55 C ATOM 1279 OD1 ASP A 83 7.608 11.852 1.318 1.00 44.15 O ATOM 1280 OD2 ASP A 83 6.184 11.239 -0.240 1.00 42.11 O ATOM 0 H ASP A 83 10.286 10.953 1.158 1.00 35.01 H new ATOM 0 HA ASP A 83 8.633 10.055 2.438 1.00 33.42 H new ATOM 0 HB2 ASP A 83 8.100 9.373 -0.455 1.00 2.22 H new ATOM 0 HB3 ASP A 83 6.948 8.881 0.770 1.00 2.22 H new ATOM 1285 N ILE A 84 9.507 7.785 3.185 1.00 3.11 N ATOM 1286 CA ILE A 84 9.692 6.436 3.705 1.00 61.12 C ATOM 1287 C ILE A 84 9.109 6.302 5.107 1.00 0.45 C ATOM 1288 O ILE A 84 8.367 7.170 5.567 1.00 14.24 O ATOM 1289 CB ILE A 84 11.182 6.046 3.741 1.00 74.31 C ATOM 1290 CG1 ILE A 84 11.906 6.816 4.847 1.00 63.22 C ATOM 1291 CG2 ILE A 84 11.831 6.310 2.391 1.00 62.02 C ATOM 1292 CD1 ILE A 84 13.101 6.080 5.412 1.00 45.45 C ATOM 0 H ILE A 84 9.792 8.526 3.825 1.00 3.11 H new ATOM 0 HA ILE A 84 9.165 5.763 3.029 1.00 61.12 H new ATOM 0 HB ILE A 84 11.259 4.980 3.956 1.00 74.31 H new ATOM 0 HG12 ILE A 84 12.234 7.778 4.454 1.00 63.22 H new ATOM 0 HG13 ILE A 84 11.203 7.025 5.654 1.00 63.22 H new ATOM 0 HG21 ILE A 84 12.883 6.030 2.432 1.00 62.02 H new ATOM 0 HG22 ILE A 84 11.328 5.721 1.624 1.00 62.02 H new ATOM 0 HG23 ILE A 84 11.747 7.369 2.148 1.00 62.02 H new ATOM 0 HD11 ILE A 84 13.566 6.684 6.191 1.00 45.45 H new ATOM 0 HD12 ILE A 84 12.776 5.130 5.835 1.00 45.45 H new ATOM 0 HD13 ILE A 84 13.823 5.895 4.617 1.00 45.45 H new ATOM 1304 N ASP A 85 9.451 5.211 5.783 1.00 5.10 N ATOM 1305 CA ASP A 85 8.965 4.965 7.135 1.00 34.34 C ATOM 1306 C ASP A 85 10.088 4.456 8.033 1.00 1.43 C ATOM 1307 O ASP A 85 11.149 4.062 7.552 1.00 63.54 O ATOM 1308 CB ASP A 85 7.817 3.953 7.111 1.00 43.51 C ATOM 1309 CG ASP A 85 6.761 4.301 6.081 1.00 13.50 C ATOM 1310 OD1 ASP A 85 6.200 5.414 6.160 1.00 51.33 O ATOM 1311 OD2 ASP A 85 6.494 3.461 5.197 1.00 72.32 O ATOM 0 H ASP A 85 10.063 4.482 5.416 1.00 5.10 H new ATOM 0 HA ASP A 85 8.600 5.909 7.540 1.00 34.34 H new ATOM 0 HB2 ASP A 85 8.215 2.961 6.898 1.00 43.51 H new ATOM 0 HB3 ASP A 85 7.357 3.907 8.098 1.00 43.51 H new ATOM 1316 N GLU A 86 9.847 4.471 9.341 1.00 74.45 N ATOM 1317 CA GLU A 86 10.840 4.013 10.305 1.00 33.31 C ATOM 1318 C GLU A 86 11.064 2.508 10.183 1.00 52.24 C ATOM 1319 O GLU A 86 12.136 2.001 10.510 1.00 52.22 O ATOM 1320 CB GLU A 86 10.398 4.359 11.729 1.00 43.45 C ATOM 1321 CG GLU A 86 9.115 3.666 12.154 1.00 60.22 C ATOM 1322 CD GLU A 86 8.443 4.351 13.328 1.00 61.10 C ATOM 1323 OE1 GLU A 86 8.805 4.039 14.482 1.00 13.31 O ATOM 1324 OE2 GLU A 86 7.556 5.198 13.093 1.00 21.22 O ATOM 0 H GLU A 86 8.974 4.795 9.756 1.00 74.45 H new ATOM 0 HA GLU A 86 11.780 4.522 10.089 1.00 33.31 H new ATOM 0 HB2 GLU A 86 11.194 4.089 12.423 1.00 43.45 H new ATOM 0 HB3 GLU A 86 10.261 5.438 11.806 1.00 43.45 H new ATOM 0 HG2 GLU A 86 8.425 3.638 11.311 1.00 60.22 H new ATOM 0 HG3 GLU A 86 9.336 2.632 12.419 1.00 60.22 H new ATOM 1331 N ASN A 87 10.043 1.800 9.709 1.00 2.53 N ATOM 1332 CA ASN A 87 10.127 0.354 9.544 1.00 25.14 C ATOM 1333 C ASN A 87 11.259 -0.020 8.592 1.00 61.01 C ATOM 1334 O ASN A 87 12.099 -0.862 8.910 1.00 52.42 O ATOM 1335 CB ASN A 87 8.801 -0.199 9.020 1.00 53.33 C ATOM 1336 CG ASN A 87 8.715 -1.708 9.141 1.00 55.10 C ATOM 1337 OD1 ASN A 87 9.565 -2.341 9.766 1.00 22.04 O ATOM 1338 ND2 ASN A 87 7.684 -2.292 8.541 1.00 15.52 N ATOM 0 H ASN A 87 9.148 2.205 9.433 1.00 2.53 H new ATOM 0 HA ASN A 87 10.336 -0.086 10.519 1.00 25.14 H new ATOM 0 HB2 ASN A 87 7.978 0.254 9.572 1.00 53.33 H new ATOM 0 HB3 ASN A 87 8.679 0.086 7.975 1.00 53.33 H new ATOM 0 HD21 ASN A 87 7.573 -3.305 8.588 1.00 15.52 H new ATOM 0 HD22 ASN A 87 7.003 -1.728 8.033 1.00 15.52 H new ATOM 1345 N MET A 88 11.274 0.612 7.423 1.00 45.10 N ATOM 1346 CA MET A 88 12.304 0.347 6.425 1.00 41.12 C ATOM 1347 C MET A 88 13.595 1.086 6.766 1.00 74.44 C ATOM 1348 O MET A 88 14.691 0.606 6.477 1.00 43.20 O ATOM 1349 CB MET A 88 11.817 0.763 5.035 1.00 34.34 C ATOM 1350 CG MET A 88 11.245 2.170 4.988 1.00 52.31 C ATOM 1351 SD MET A 88 9.631 2.238 4.187 1.00 33.41 S ATOM 1352 CE MET A 88 9.961 1.324 2.682 1.00 0.22 C ATOM 0 H MET A 88 10.585 1.311 7.144 1.00 45.10 H new ATOM 0 HA MET A 88 12.508 -0.724 6.426 1.00 41.12 H new ATOM 0 HB2 MET A 88 12.647 0.693 4.332 1.00 34.34 H new ATOM 0 HB3 MET A 88 11.056 0.059 4.700 1.00 34.34 H new ATOM 0 HG2 MET A 88 11.159 2.557 6.003 1.00 52.31 H new ATOM 0 HG3 MET A 88 11.938 2.822 4.456 1.00 52.31 H new ATOM 0 HE1 MET A 88 9.035 1.202 2.120 1.00 0.22 H new ATOM 0 HE2 MET A 88 10.684 1.870 2.076 1.00 0.22 H new ATOM 0 HE3 MET A 88 10.365 0.343 2.933 1.00 0.22 H new ATOM 1362 N LYS A 89 13.457 2.255 7.381 1.00 51.21 N ATOM 1363 CA LYS A 89 14.611 3.060 7.762 1.00 2.22 C ATOM 1364 C LYS A 89 15.615 2.230 8.556 1.00 43.15 C ATOM 1365 O LYS A 89 16.826 2.372 8.385 1.00 63.55 O ATOM 1366 CB LYS A 89 14.166 4.268 8.589 1.00 15.24 C ATOM 1367 CG LYS A 89 15.235 5.337 8.729 1.00 1.54 C ATOM 1368 CD LYS A 89 14.808 6.430 9.695 1.00 41.30 C ATOM 1369 CE LYS A 89 15.473 7.758 9.364 1.00 61.40 C ATOM 1370 NZ LYS A 89 16.949 7.702 9.555 1.00 31.53 N ATOM 0 H LYS A 89 12.557 2.667 7.626 1.00 51.21 H new ATOM 0 HA LYS A 89 15.095 3.410 6.850 1.00 2.22 H new ATOM 0 HB2 LYS A 89 13.282 4.708 8.127 1.00 15.24 H new ATOM 0 HB3 LYS A 89 13.871 3.929 9.582 1.00 15.24 H new ATOM 0 HG2 LYS A 89 16.162 4.882 9.079 1.00 1.54 H new ATOM 0 HG3 LYS A 89 15.444 5.774 7.753 1.00 1.54 H new ATOM 0 HD2 LYS A 89 13.725 6.546 9.659 1.00 41.30 H new ATOM 0 HD3 LYS A 89 15.064 6.137 10.713 1.00 41.30 H new ATOM 0 HE2 LYS A 89 15.250 8.028 8.332 1.00 61.40 H new ATOM 0 HE3 LYS A 89 15.054 8.541 9.996 1.00 61.40 H new ATOM 0 HZ1 LYS A 89 17.365 8.626 9.319 1.00 31.53 H new ATOM 0 HZ2 LYS A 89 17.162 7.469 10.546 1.00 31.53 H new ATOM 0 HZ3 LYS A 89 17.352 6.972 8.933 1.00 31.53 H new ATOM 1384 N LYS A 90 15.105 1.363 9.423 1.00 73.31 N ATOM 1385 CA LYS A 90 15.956 0.507 10.241 1.00 11.11 C ATOM 1386 C LYS A 90 16.853 -0.363 9.367 1.00 21.40 C ATOM 1387 O LYS A 90 18.016 -0.598 9.694 1.00 24.32 O ATOM 1388 CB LYS A 90 15.101 -0.377 11.152 1.00 12.40 C ATOM 1389 CG LYS A 90 14.409 -1.514 10.421 1.00 63.31 C ATOM 1390 CD LYS A 90 15.224 -2.796 10.486 1.00 15.42 C ATOM 1391 CE LYS A 90 15.211 -3.393 11.885 1.00 61.32 C ATOM 1392 NZ LYS A 90 14.044 -4.295 12.092 1.00 3.03 N ATOM 0 H LYS A 90 14.105 1.234 9.578 1.00 73.31 H new ATOM 0 HA LYS A 90 16.588 1.147 10.856 1.00 11.11 H new ATOM 0 HB2 LYS A 90 15.732 -0.792 11.938 1.00 12.40 H new ATOM 0 HB3 LYS A 90 14.348 0.241 11.641 1.00 12.40 H new ATOM 0 HG2 LYS A 90 13.425 -1.684 10.859 1.00 63.31 H new ATOM 0 HG3 LYS A 90 14.250 -1.235 9.379 1.00 63.31 H new ATOM 0 HD2 LYS A 90 14.823 -3.520 9.776 1.00 15.42 H new ATOM 0 HD3 LYS A 90 16.252 -2.591 10.186 1.00 15.42 H new ATOM 0 HE2 LYS A 90 16.134 -3.949 12.051 1.00 61.32 H new ATOM 0 HE3 LYS A 90 15.185 -2.590 12.622 1.00 61.32 H new ATOM 0 HZ1 LYS A 90 14.071 -4.682 13.057 1.00 3.03 H new ATOM 0 HZ2 LYS A 90 13.163 -3.759 11.958 1.00 3.03 H new ATOM 0 HZ3 LYS A 90 14.082 -5.075 11.405 1.00 3.03 H new ATOM 1406 N VAL A 91 16.305 -0.839 8.253 1.00 42.40 N ATOM 1407 CA VAL A 91 17.057 -1.681 7.330 1.00 11.14 C ATOM 1408 C VAL A 91 18.102 -0.870 6.573 1.00 40.32 C ATOM 1409 O VAL A 91 19.199 -1.356 6.297 1.00 4.43 O ATOM 1410 CB VAL A 91 16.126 -2.373 6.317 1.00 42.33 C ATOM 1411 CG1 VAL A 91 14.727 -2.525 6.893 1.00 11.55 C ATOM 1412 CG2 VAL A 91 16.092 -1.596 5.009 1.00 15.34 C ATOM 0 H VAL A 91 15.343 -0.656 7.968 1.00 42.40 H new ATOM 0 HA VAL A 91 17.557 -2.441 7.930 1.00 11.14 H new ATOM 0 HB VAL A 91 16.517 -3.369 6.112 1.00 42.33 H new ATOM 0 HG11 VAL A 91 14.084 -3.016 6.162 1.00 11.55 H new ATOM 0 HG12 VAL A 91 14.771 -3.127 7.801 1.00 11.55 H new ATOM 0 HG13 VAL A 91 14.322 -1.541 7.129 1.00 11.55 H new ATOM 0 HG21 VAL A 91 15.430 -2.099 4.304 1.00 15.34 H new ATOM 0 HG22 VAL A 91 15.725 -0.586 5.195 1.00 15.34 H new ATOM 0 HG23 VAL A 91 17.097 -1.546 4.590 1.00 15.34 H new ATOM 1422 N ILE A 92 17.754 0.369 6.239 1.00 21.54 N ATOM 1423 CA ILE A 92 18.663 1.248 5.515 1.00 62.01 C ATOM 1424 C ILE A 92 19.858 1.636 6.379 1.00 22.21 C ATOM 1425 O ILE A 92 21.004 1.589 5.931 1.00 0.21 O ATOM 1426 CB ILE A 92 17.950 2.528 5.041 1.00 73.11 C ATOM 1427 CG1 ILE A 92 16.561 2.191 4.493 1.00 3.13 C ATOM 1428 CG2 ILE A 92 18.783 3.239 3.985 1.00 23.22 C ATOM 1429 CD1 ILE A 92 15.949 3.305 3.673 1.00 35.24 C ATOM 0 H ILE A 92 16.849 0.786 6.459 1.00 21.54 H new ATOM 0 HA ILE A 92 19.012 0.692 4.645 1.00 62.01 H new ATOM 0 HB ILE A 92 17.832 3.197 5.893 1.00 73.11 H new ATOM 0 HG12 ILE A 92 16.630 1.294 3.878 1.00 3.13 H new ATOM 0 HG13 ILE A 92 15.898 1.957 5.326 1.00 3.13 H new ATOM 0 HG21 ILE A 92 18.265 4.142 3.660 1.00 23.22 H new ATOM 0 HG22 ILE A 92 19.752 3.508 4.406 1.00 23.22 H new ATOM 0 HG23 ILE A 92 18.929 2.578 3.131 1.00 23.22 H new ATOM 0 HD11 ILE A 92 14.966 2.997 3.317 1.00 35.24 H new ATOM 0 HD12 ILE A 92 15.848 4.198 4.290 1.00 35.24 H new ATOM 0 HD13 ILE A 92 16.591 3.524 2.820 1.00 35.24 H new ATOM 1441 N LYS A 93 19.584 2.017 7.622 1.00 55.42 N ATOM 1442 CA LYS A 93 20.635 2.411 8.552 1.00 22.30 C ATOM 1443 C LYS A 93 21.540 1.228 8.883 1.00 74.34 C ATOM 1444 O LYS A 93 22.763 1.356 8.899 1.00 64.44 O ATOM 1445 CB LYS A 93 20.024 2.973 9.837 1.00 14.41 C ATOM 1446 CG LYS A 93 19.676 4.449 9.750 1.00 55.35 C ATOM 1447 CD LYS A 93 19.566 5.079 11.128 1.00 43.20 C ATOM 1448 CE LYS A 93 20.908 5.613 11.605 1.00 44.13 C ATOM 1449 NZ LYS A 93 20.881 5.970 13.050 1.00 4.12 N ATOM 0 H LYS A 93 18.641 2.061 8.009 1.00 55.42 H new ATOM 0 HA LYS A 93 21.236 3.185 8.074 1.00 22.30 H new ATOM 0 HB2 LYS A 93 19.123 2.409 10.078 1.00 14.41 H new ATOM 0 HB3 LYS A 93 20.724 2.821 10.659 1.00 14.41 H new ATOM 0 HG2 LYS A 93 20.439 4.970 9.171 1.00 55.35 H new ATOM 0 HG3 LYS A 93 18.733 4.570 9.217 1.00 55.35 H new ATOM 0 HD2 LYS A 93 18.839 5.891 11.101 1.00 43.20 H new ATOM 0 HD3 LYS A 93 19.194 4.341 11.838 1.00 43.20 H new ATOM 0 HE2 LYS A 93 21.680 4.863 11.431 1.00 44.13 H new ATOM 0 HE3 LYS A 93 21.178 6.491 11.019 1.00 44.13 H new ATOM 0 HZ1 LYS A 93 21.814 6.330 13.336 1.00 4.12 H new ATOM 0 HZ2 LYS A 93 20.162 6.704 13.213 1.00 4.12 H new ATOM 0 HZ3 LYS A 93 20.648 5.126 13.612 1.00 4.12 H new ATOM 1463 N ALA A 94 20.929 0.077 9.144 1.00 31.23 N ATOM 1464 CA ALA A 94 21.679 -1.129 9.471 1.00 65.43 C ATOM 1465 C ALA A 94 22.557 -1.563 8.302 1.00 42.15 C ATOM 1466 O ALA A 94 23.701 -1.978 8.490 1.00 22.13 O ATOM 1467 CB ALA A 94 20.730 -2.251 9.865 1.00 22.20 C ATOM 0 H ALA A 94 19.916 -0.045 9.135 1.00 31.23 H new ATOM 0 HA ALA A 94 22.329 -0.904 10.317 1.00 65.43 H new ATOM 0 HB1 ALA A 94 21.304 -3.145 10.106 1.00 22.20 H new ATOM 0 HB2 ALA A 94 20.149 -1.947 10.736 1.00 22.20 H new ATOM 0 HB3 ALA A 94 20.056 -2.466 9.036 1.00 22.20 H new ATOM 1473 N THR A 95 22.015 -1.465 7.092 1.00 54.12 N ATOM 1474 CA THR A 95 22.747 -1.849 5.892 1.00 45.20 C ATOM 1475 C THR A 95 23.906 -0.894 5.626 1.00 32.13 C ATOM 1476 O THR A 95 25.015 -1.322 5.309 1.00 22.34 O ATOM 1477 CB THR A 95 21.828 -1.878 4.657 1.00 55.21 C ATOM 1478 OG1 THR A 95 20.868 -2.933 4.785 1.00 22.22 O ATOM 1479 CG2 THR A 95 22.637 -2.073 3.384 1.00 72.43 C ATOM 0 H THR A 95 21.070 -1.122 6.917 1.00 54.12 H new ATOM 0 HA THR A 95 23.138 -2.851 6.068 1.00 45.20 H new ATOM 0 HB THR A 95 21.309 -0.921 4.595 1.00 55.21 H new ATOM 0 HG1 THR A 95 21.331 -3.776 4.975 1.00 22.22 H new ATOM 0 HG21 THR A 95 21.966 -2.090 2.525 1.00 72.43 H new ATOM 0 HG22 THR A 95 23.346 -1.252 3.274 1.00 72.43 H new ATOM 0 HG23 THR A 95 23.180 -3.017 3.439 1.00 72.43 H new ATOM 1487 N ALA A 96 23.641 0.402 5.758 1.00 30.53 N ATOM 1488 CA ALA A 96 24.663 1.417 5.535 1.00 32.31 C ATOM 1489 C ALA A 96 25.758 1.335 6.593 1.00 12.52 C ATOM 1490 O ALA A 96 26.945 1.338 6.271 1.00 24.11 O ATOM 1491 CB ALA A 96 24.036 2.803 5.527 1.00 42.24 C ATOM 0 H ALA A 96 22.727 0.773 6.018 1.00 30.53 H new ATOM 0 HA ALA A 96 25.120 1.231 4.563 1.00 32.31 H new ATOM 0 HB1 ALA A 96 24.810 3.552 5.360 1.00 42.24 H new ATOM 0 HB2 ALA A 96 23.295 2.863 4.730 1.00 42.24 H new ATOM 0 HB3 ALA A 96 23.553 2.989 6.486 1.00 42.24 H new ATOM 1497 N GLU A 97 25.350 1.264 7.856 1.00 13.34 N ATOM 1498 CA GLU A 97 26.298 1.184 8.961 1.00 12.13 C ATOM 1499 C GLU A 97 27.110 -0.106 8.888 1.00 4.44 C ATOM 1500 O GLU A 97 28.278 -0.140 9.276 1.00 24.14 O ATOM 1501 CB GLU A 97 25.562 1.261 10.301 1.00 51.03 C ATOM 1502 CG GLU A 97 25.015 -0.076 10.772 1.00 11.22 C ATOM 1503 CD GLU A 97 26.037 -0.883 11.549 1.00 70.35 C ATOM 1504 OE1 GLU A 97 26.944 -0.270 12.150 1.00 34.12 O ATOM 1505 OE2 GLU A 97 25.931 -2.127 11.554 1.00 32.43 O ATOM 0 H GLU A 97 24.370 1.260 8.139 1.00 13.34 H new ATOM 0 HA GLU A 97 26.982 2.029 8.881 1.00 12.13 H new ATOM 0 HB2 GLU A 97 26.242 1.653 11.058 1.00 51.03 H new ATOM 0 HB3 GLU A 97 24.739 1.970 10.214 1.00 51.03 H new ATOM 0 HG2 GLU A 97 24.139 0.094 11.399 1.00 11.22 H new ATOM 0 HG3 GLU A 97 24.682 -0.653 9.909 1.00 11.22 H new ATOM 1512 N LYS A 98 26.484 -1.165 8.389 1.00 74.22 N ATOM 1513 CA LYS A 98 27.146 -2.458 8.263 1.00 3.03 C ATOM 1514 C LYS A 98 28.403 -2.344 7.407 1.00 64.10 C ATOM 1515 O LYS A 98 29.425 -2.966 7.700 1.00 74.30 O ATOM 1516 CB LYS A 98 26.192 -3.486 7.652 1.00 33.44 C ATOM 1517 CG LYS A 98 26.802 -4.869 7.504 1.00 34.51 C ATOM 1518 CD LYS A 98 26.474 -5.754 8.695 1.00 31.13 C ATOM 1519 CE LYS A 98 27.398 -5.471 9.870 1.00 35.52 C ATOM 1520 NZ LYS A 98 27.497 -6.638 10.791 1.00 54.31 N ATOM 0 H LYS A 98 25.517 -1.154 8.064 1.00 74.22 H new ATOM 0 HA LYS A 98 27.435 -2.788 9.261 1.00 3.03 H new ATOM 0 HB2 LYS A 98 25.300 -3.556 8.274 1.00 33.44 H new ATOM 0 HB3 LYS A 98 25.870 -3.133 6.672 1.00 33.44 H new ATOM 0 HG2 LYS A 98 26.432 -5.335 6.591 1.00 34.51 H new ATOM 0 HG3 LYS A 98 27.884 -4.781 7.402 1.00 34.51 H new ATOM 0 HD2 LYS A 98 25.439 -5.591 8.997 1.00 31.13 H new ATOM 0 HD3 LYS A 98 26.561 -6.801 8.406 1.00 31.13 H new ATOM 0 HE2 LYS A 98 28.391 -5.216 9.498 1.00 35.52 H new ATOM 0 HE3 LYS A 98 27.031 -4.604 10.420 1.00 35.52 H new ATOM 0 HZ1 LYS A 98 28.135 -6.406 11.578 1.00 54.31 H new ATOM 0 HZ2 LYS A 98 26.554 -6.866 11.166 1.00 54.31 H new ATOM 0 HZ3 LYS A 98 27.871 -7.458 10.273 1.00 54.31 H new ATOM 1534 N PHE A 99 28.322 -1.545 6.349 1.00 45.35 N ATOM 1535 CA PHE A 99 29.454 -1.349 5.450 1.00 42.01 C ATOM 1536 C PHE A 99 30.599 -0.636 6.164 1.00 54.30 C ATOM 1537 O PHE A 99 31.771 -0.880 5.880 1.00 45.31 O ATOM 1538 CB PHE A 99 29.024 -0.544 4.222 1.00 61.44 C ATOM 1539 CG PHE A 99 28.502 -1.396 3.100 1.00 63.02 C ATOM 1540 CD1 PHE A 99 29.327 -2.310 2.465 1.00 62.32 C ATOM 1541 CD2 PHE A 99 27.187 -1.282 2.680 1.00 52.21 C ATOM 1542 CE1 PHE A 99 28.850 -3.096 1.432 1.00 1.24 C ATOM 1543 CE2 PHE A 99 26.704 -2.065 1.648 1.00 10.25 C ATOM 1544 CZ PHE A 99 27.537 -2.972 1.023 1.00 31.01 C ATOM 0 H PHE A 99 27.484 -1.022 6.093 1.00 45.35 H new ATOM 0 HA PHE A 99 29.804 -2.330 5.129 1.00 42.01 H new ATOM 0 HB2 PHE A 99 28.253 0.168 4.516 1.00 61.44 H new ATOM 0 HB3 PHE A 99 29.874 0.036 3.862 1.00 61.44 H new ATOM 0 HD1 PHE A 99 30.355 -2.410 2.781 1.00 62.32 H new ATOM 0 HD2 PHE A 99 26.531 -0.573 3.164 1.00 52.21 H new ATOM 0 HE1 PHE A 99 29.503 -3.806 0.946 1.00 1.24 H new ATOM 0 HE2 PHE A 99 25.676 -1.967 1.331 1.00 10.25 H new ATOM 0 HZ PHE A 99 27.162 -3.583 0.216 1.00 31.01 H new ATOM 1554 N LYS A 100 30.249 0.248 7.093 1.00 41.04 N ATOM 1555 CA LYS A 100 31.245 0.998 7.849 1.00 32.23 C ATOM 1556 C LYS A 100 32.130 0.059 8.663 1.00 13.24 C ATOM 1557 O LYS A 100 33.299 0.352 8.910 1.00 71.32 O ATOM 1558 CB LYS A 100 30.559 2.003 8.778 1.00 63.22 C ATOM 1559 CG LYS A 100 31.240 3.360 8.814 1.00 50.25 C ATOM 1560 CD LYS A 100 32.692 3.245 9.245 1.00 23.52 C ATOM 1561 CE LYS A 100 32.814 2.641 10.636 1.00 10.21 C ATOM 1562 NZ LYS A 100 32.148 3.485 11.667 1.00 62.11 N ATOM 0 H LYS A 100 29.283 0.462 7.340 1.00 41.04 H new ATOM 0 HA LYS A 100 31.873 1.538 7.140 1.00 32.23 H new ATOM 0 HB2 LYS A 100 29.525 2.133 8.459 1.00 63.22 H new ATOM 0 HB3 LYS A 100 30.532 1.592 9.787 1.00 63.22 H new ATOM 0 HG2 LYS A 100 31.188 3.820 7.827 1.00 50.25 H new ATOM 0 HG3 LYS A 100 30.707 4.017 9.501 1.00 50.25 H new ATOM 0 HD2 LYS A 100 33.237 2.628 8.530 1.00 23.52 H new ATOM 0 HD3 LYS A 100 33.155 4.232 9.234 1.00 23.52 H new ATOM 0 HE2 LYS A 100 32.371 1.645 10.640 1.00 10.21 H new ATOM 0 HE3 LYS A 100 33.867 2.522 10.889 1.00 10.21 H new ATOM 0 HZ1 LYS A 100 32.408 3.145 12.615 1.00 62.11 H new ATOM 0 HZ2 LYS A 100 32.454 4.473 11.557 1.00 62.11 H new ATOM 0 HZ3 LYS A 100 31.116 3.427 11.550 1.00 62.11 H new ATOM 1576 N ASN A 101 31.564 -1.070 9.077 1.00 72.12 N ATOM 1577 CA ASN A 101 32.302 -2.052 9.862 1.00 23.14 C ATOM 1578 C ASN A 101 33.458 -2.636 9.056 1.00 70.34 C ATOM 1579 O ASN A 101 34.373 -3.244 9.611 1.00 3.02 O ATOM 1580 CB ASN A 101 31.369 -3.174 10.323 1.00 1.42 C ATOM 1581 CG ASN A 101 30.289 -2.677 11.265 1.00 4.12 C ATOM 1582 OD1 ASN A 101 29.897 -1.511 11.218 1.00 42.10 O ATOM 1583 ND2 ASN A 101 29.804 -3.562 12.128 1.00 72.24 N ATOM 0 H ASN A 101 30.596 -1.327 8.882 1.00 72.12 H new ATOM 0 HA ASN A 101 32.711 -1.547 10.737 1.00 23.14 H new ATOM 0 HB2 ASN A 101 30.904 -3.637 9.453 1.00 1.42 H new ATOM 0 HB3 ASN A 101 31.954 -3.948 10.821 1.00 1.42 H new ATOM 0 HD21 ASN A 101 29.077 -3.285 12.788 1.00 72.24 H new ATOM 0 HD22 ASN A 101 30.159 -4.518 12.131 1.00 72.24 H new ATOM 1590 N LYS A 102 33.410 -2.448 7.741 1.00 15.42 N ATOM 1591 CA LYS A 102 34.452 -2.953 6.856 1.00 22.22 C ATOM 1592 C LYS A 102 35.487 -1.872 6.561 1.00 53.01 C ATOM 1593 O LYS A 102 36.528 -2.142 5.964 1.00 21.12 O ATOM 1594 CB LYS A 102 33.839 -3.458 5.548 1.00 31.12 C ATOM 1595 CG LYS A 102 34.358 -4.819 5.119 1.00 71.43 C ATOM 1596 CD LYS A 102 35.721 -4.713 4.455 1.00 55.43 C ATOM 1597 CE LYS A 102 35.897 -5.766 3.372 1.00 60.11 C ATOM 1598 NZ LYS A 102 37.072 -5.478 2.504 1.00 41.32 N ATOM 0 H LYS A 102 32.659 -1.949 7.265 1.00 15.42 H new ATOM 0 HA LYS A 102 34.951 -3.781 7.359 1.00 22.22 H new ATOM 0 HB2 LYS A 102 32.756 -3.510 5.660 1.00 31.12 H new ATOM 0 HB3 LYS A 102 34.043 -2.735 4.758 1.00 31.12 H new ATOM 0 HG2 LYS A 102 34.426 -5.474 5.988 1.00 71.43 H new ATOM 0 HG3 LYS A 102 33.651 -5.278 4.428 1.00 71.43 H new ATOM 0 HD2 LYS A 102 35.839 -3.720 4.021 1.00 55.43 H new ATOM 0 HD3 LYS A 102 36.503 -4.828 5.206 1.00 55.43 H new ATOM 0 HE2 LYS A 102 36.018 -6.746 3.834 1.00 60.11 H new ATOM 0 HE3 LYS A 102 34.996 -5.812 2.760 1.00 60.11 H new ATOM 0 HZ1 LYS A 102 37.158 -6.218 1.779 1.00 41.32 H new ATOM 0 HZ2 LYS A 102 36.945 -4.555 2.043 1.00 41.32 H new ATOM 0 HZ3 LYS A 102 37.935 -5.460 3.083 1.00 41.32 H new ATOM 1612 N GLY A 103 35.193 -0.646 6.984 1.00 32.34 N ATOM 1613 CA GLY A 103 36.108 0.457 6.757 1.00 23.40 C ATOM 1614 C GLY A 103 35.682 1.334 5.597 1.00 12.42 C ATOM 1615 O GLY A 103 36.392 1.442 4.597 1.00 13.41 O ATOM 0 H GLY A 103 34.337 -0.397 7.480 1.00 32.34 H new ATOM 0 HA2 GLY A 103 36.174 1.062 7.661 1.00 23.40 H new ATOM 0 HA3 GLY A 103 37.106 0.063 6.564 1.00 23.40 H new ATOM 1619 N PHE A 104 34.518 1.962 5.729 1.00 1.30 N ATOM 1620 CA PHE A 104 33.996 2.833 4.682 1.00 4.22 C ATOM 1621 C PHE A 104 33.222 4.003 5.283 1.00 21.43 C ATOM 1622 O PHE A 104 33.050 4.089 6.499 1.00 34.13 O ATOM 1623 CB PHE A 104 33.093 2.042 3.734 1.00 34.14 C ATOM 1624 CG PHE A 104 33.839 1.070 2.866 1.00 2.11 C ATOM 1625 CD1 PHE A 104 34.196 -0.179 3.349 1.00 12.32 C ATOM 1626 CD2 PHE A 104 34.184 1.405 1.567 1.00 61.04 C ATOM 1627 CE1 PHE A 104 34.884 -1.074 2.552 1.00 35.44 C ATOM 1628 CE2 PHE A 104 34.871 0.513 0.765 1.00 45.21 C ATOM 1629 CZ PHE A 104 35.221 -0.729 1.258 1.00 13.43 C ATOM 0 H PHE A 104 33.918 1.884 6.550 1.00 1.30 H new ATOM 0 HA PHE A 104 34.841 3.230 4.120 1.00 4.22 H new ATOM 0 HB2 PHE A 104 32.352 1.498 4.320 1.00 34.14 H new ATOM 0 HB3 PHE A 104 32.547 2.740 3.098 1.00 34.14 H new ATOM 0 HD1 PHE A 104 33.934 -0.456 4.359 1.00 12.32 H new ATOM 0 HD2 PHE A 104 33.913 2.375 1.176 1.00 61.04 H new ATOM 0 HE1 PHE A 104 35.158 -2.043 2.941 1.00 35.44 H new ATOM 0 HE2 PHE A 104 35.134 0.787 -0.246 1.00 45.21 H new ATOM 0 HZ PHE A 104 35.757 -1.428 0.633 1.00 13.43 H new ATOM 1639 N LYS A 105 32.758 4.902 4.422 1.00 32.23 N ATOM 1640 CA LYS A 105 32.001 6.067 4.866 1.00 62.35 C ATOM 1641 C LYS A 105 30.511 5.881 4.599 1.00 52.10 C ATOM 1642 O LYS A 105 30.114 5.417 3.530 1.00 42.22 O ATOM 1643 CB LYS A 105 32.504 7.327 4.157 1.00 32.31 C ATOM 1644 CG LYS A 105 31.771 8.591 4.572 1.00 61.11 C ATOM 1645 CD LYS A 105 32.378 9.202 5.824 1.00 33.51 C ATOM 1646 CE LYS A 105 31.610 8.792 7.072 1.00 42.12 C ATOM 1647 NZ LYS A 105 30.253 9.403 7.114 1.00 51.44 N ATOM 0 H LYS A 105 32.893 4.846 3.412 1.00 32.23 H new ATOM 0 HA LYS A 105 32.148 6.178 5.940 1.00 62.35 H new ATOM 0 HB2 LYS A 105 33.567 7.449 4.362 1.00 32.31 H new ATOM 0 HB3 LYS A 105 32.401 7.194 3.080 1.00 32.31 H new ATOM 0 HG2 LYS A 105 31.805 9.316 3.759 1.00 61.11 H new ATOM 0 HG3 LYS A 105 30.720 8.362 4.751 1.00 61.11 H new ATOM 0 HD2 LYS A 105 33.418 8.889 5.916 1.00 33.51 H new ATOM 0 HD3 LYS A 105 32.379 10.288 5.736 1.00 33.51 H new ATOM 0 HE2 LYS A 105 31.520 7.706 7.103 1.00 42.12 H new ATOM 0 HE3 LYS A 105 32.170 9.091 7.958 1.00 42.12 H new ATOM 0 HZ1 LYS A 105 30.016 9.655 8.095 1.00 51.44 H new ATOM 0 HZ2 LYS A 105 30.239 10.259 6.523 1.00 51.44 H new ATOM 0 HZ3 LYS A 105 29.554 8.722 6.753 1.00 51.44 H new ATOM 1661 N VAL A 106 29.689 6.248 5.577 1.00 20.34 N ATOM 1662 CA VAL A 106 28.242 6.124 5.447 1.00 21.12 C ATOM 1663 C VAL A 106 27.570 7.492 5.463 1.00 50.25 C ATOM 1664 O VAL A 106 27.795 8.295 6.368 1.00 65.34 O ATOM 1665 CB VAL A 106 27.649 5.260 6.576 1.00 72.01 C ATOM 1666 CG1 VAL A 106 26.162 5.034 6.350 1.00 13.11 C ATOM 1667 CG2 VAL A 106 28.389 3.935 6.677 1.00 74.43 C ATOM 0 H VAL A 106 30.001 6.634 6.468 1.00 20.34 H new ATOM 0 HA VAL A 106 28.051 5.639 4.490 1.00 21.12 H new ATOM 0 HB VAL A 106 27.772 5.791 7.520 1.00 72.01 H new ATOM 0 HG11 VAL A 106 25.760 4.422 7.157 1.00 13.11 H new ATOM 0 HG12 VAL A 106 25.647 5.994 6.332 1.00 13.11 H new ATOM 0 HG13 VAL A 106 26.012 4.524 5.399 1.00 13.11 H new ATOM 0 HG21 VAL A 106 27.957 3.337 7.480 1.00 74.43 H new ATOM 0 HG22 VAL A 106 28.299 3.395 5.734 1.00 74.43 H new ATOM 0 HG23 VAL A 106 29.442 4.121 6.890 1.00 74.43 H new ATOM 1677 N GLU A 107 26.743 7.751 4.454 1.00 20.42 N ATOM 1678 CA GLU A 107 26.038 9.023 4.352 1.00 30.03 C ATOM 1679 C GLU A 107 24.537 8.802 4.190 1.00 32.32 C ATOM 1680 O GLU A 107 24.104 7.847 3.543 1.00 10.51 O ATOM 1681 CB GLU A 107 26.575 9.836 3.173 1.00 61.04 C ATOM 1682 CG GLU A 107 28.086 9.771 3.026 1.00 1.15 C ATOM 1683 CD GLU A 107 28.683 11.082 2.553 1.00 62.04 C ATOM 1684 OE1 GLU A 107 28.613 12.074 3.308 1.00 73.05 O ATOM 1685 OE2 GLU A 107 29.221 11.115 1.426 1.00 4.00 O ATOM 0 H GLU A 107 26.545 7.097 3.697 1.00 20.42 H new ATOM 0 HA GLU A 107 26.208 9.578 5.274 1.00 30.03 H new ATOM 0 HB2 GLU A 107 26.113 9.475 2.254 1.00 61.04 H new ATOM 0 HB3 GLU A 107 26.275 10.877 3.294 1.00 61.04 H new ATOM 0 HG2 GLU A 107 28.529 9.499 3.984 1.00 1.15 H new ATOM 0 HG3 GLU A 107 28.345 8.982 2.320 1.00 1.15 H new ATOM 1692 N THR A 108 23.746 9.691 4.783 1.00 30.45 N ATOM 1693 CA THR A 108 22.294 9.593 4.707 1.00 31.32 C ATOM 1694 C THR A 108 21.693 10.831 4.052 1.00 10.00 C ATOM 1695 O THR A 108 22.059 11.959 4.382 1.00 1.11 O ATOM 1696 CB THR A 108 21.669 9.410 6.103 1.00 0.23 C ATOM 1697 OG1 THR A 108 21.826 10.609 6.871 1.00 63.31 O ATOM 1698 CG2 THR A 108 22.314 8.244 6.837 1.00 62.14 C ATOM 0 H THR A 108 24.087 10.487 5.321 1.00 30.45 H new ATOM 0 HA THR A 108 22.068 8.717 4.099 1.00 31.32 H new ATOM 0 HB THR A 108 20.608 9.196 5.976 1.00 0.23 H new ATOM 0 HG1 THR A 108 21.425 10.485 7.756 1.00 63.31 H new ATOM 0 HG21 THR A 108 21.856 8.135 7.820 1.00 62.14 H new ATOM 0 HG22 THR A 108 22.168 7.328 6.265 1.00 62.14 H new ATOM 0 HG23 THR A 108 23.381 8.433 6.953 1.00 62.14 H new ATOM 1706 N ASP A 109 20.769 10.613 3.123 1.00 13.40 N ATOM 1707 CA ASP A 109 20.115 11.713 2.422 1.00 22.33 C ATOM 1708 C ASP A 109 18.597 11.584 2.504 1.00 24.34 C ATOM 1709 O ASP A 109 18.036 10.533 2.193 1.00 4.44 O ATOM 1710 CB ASP A 109 20.558 11.748 0.959 1.00 61.12 C ATOM 1711 CG ASP A 109 20.549 13.151 0.385 1.00 74.15 C ATOM 1712 OD1 ASP A 109 20.165 14.089 1.115 1.00 23.20 O ATOM 1713 OD2 ASP A 109 20.925 13.311 -0.795 1.00 42.30 O ATOM 0 H ASP A 109 20.456 9.685 2.838 1.00 13.40 H new ATOM 0 HA ASP A 109 20.409 12.645 2.905 1.00 22.33 H new ATOM 0 HB2 ASP A 109 21.562 11.331 0.876 1.00 61.12 H new ATOM 0 HB3 ASP A 109 19.899 11.112 0.368 1.00 61.12 H new ATOM 1718 N MET A 110 17.939 12.658 2.926 1.00 2.42 N ATOM 1719 CA MET A 110 16.486 12.665 3.049 1.00 21.20 C ATOM 1720 C MET A 110 15.943 14.090 3.008 1.00 63.32 C ATOM 1721 O MET A 110 16.701 15.050 2.866 1.00 43.01 O ATOM 1722 CB MET A 110 16.060 11.982 4.350 1.00 71.42 C ATOM 1723 CG MET A 110 16.689 12.593 5.592 1.00 73.35 C ATOM 1724 SD MET A 110 16.211 11.737 7.105 1.00 63.41 S ATOM 1725 CE MET A 110 17.504 12.276 8.221 1.00 21.21 C ATOM 0 H MET A 110 18.389 13.535 3.189 1.00 2.42 H new ATOM 0 HA MET A 110 16.072 12.113 2.205 1.00 21.20 H new ATOM 0 HB2 MET A 110 14.975 12.034 4.439 1.00 71.42 H new ATOM 0 HB3 MET A 110 16.326 10.926 4.300 1.00 71.42 H new ATOM 0 HG2 MET A 110 17.774 12.570 5.494 1.00 73.35 H new ATOM 0 HG3 MET A 110 16.397 13.641 5.664 1.00 73.35 H new ATOM 0 HE1 MET A 110 17.347 11.829 9.203 1.00 21.21 H new ATOM 0 HE2 MET A 110 18.474 11.965 7.832 1.00 21.21 H new ATOM 0 HE3 MET A 110 17.480 13.362 8.308 1.00 21.21 H new TER 1735 MET A 110