USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 958 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Set 2.1: A 2 SER OG : rot -90:sc= 0.0941 USER MOD Set 2.2: A 72 GLN : amide:sc= -0.877 K(o=-0.78,f=1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0623 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.889 K(o=-0.89,f=-0.15) USER MOD Single : A 4 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.4!) USER MOD Single : A 6 GLN : amide:sc= -3 K(o=-3,f=-3.9) USER MOD Single : A 9 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 14 MET CE :methyl -112:sc= -2.42 (180deg=-7.82!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -74:sc= 1.24 USER MOD Single : A 25 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.018) USER MOD Single : A 27 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.29) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00251 USER MOD Single : A 32 GLN : amide:sc= -2.33 K(o=-2.3,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.4) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 138:sc= -3.19! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -60:sc= -0.314 USER MOD Single : A 53 CYS SG : rot 167:sc= -0.0771 USER MOD Single : A 57 THR OG1 : rot 143:sc= 0.528 USER MOD Single : A 64 LYS NZ :NH3+ -170:sc= -0.0407 (180deg=-0.234) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 77 LYS NZ :NH3+ 141:sc= -0.202 (180deg=-0.878) USER MOD Single : A 83 MET CE :methyl -164:sc= -4.18! (180deg=-5!) USER MOD Single : A 85 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 86 ASN : amide:sc= -0.515 X(o=-0.52,f=-0.82) USER MOD Single : A 87 CYS SG : rot 76:sc= 0.413 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 171:sc= 0.125 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -159:sc= -0.827 (180deg=-0.948) USER MOD Single : A 115 TYR OH : rot 79:sc= 0.0925 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.955 K(o=-0.95,f=-0.15) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.500 0.574 0.253 1.00 73.22 N ATOM 2 CA MET A 1 0.333 1.544 -0.448 1.00 3.14 C ATOM 3 C MET A 1 1.564 1.901 0.380 1.00 63.24 C ATOM 4 O MET A 1 1.547 1.808 1.607 1.00 62.21 O ATOM 5 CB MET A 1 -0.470 2.808 -0.759 1.00 12.20 C ATOM 6 CG MET A 1 -1.045 2.832 -2.166 1.00 62.21 C ATOM 7 SD MET A 1 -2.817 2.500 -2.198 1.00 62.14 S ATOM 8 CE MET A 1 -3.349 3.625 -3.487 1.00 4.05 C ATOM 0 H1 MET A 1 -1.497 0.863 0.190 1.00 73.22 H new ATOM 0 H2 MET A 1 -0.382 -0.363 -0.182 1.00 73.22 H new ATOM 0 H3 MET A 1 -0.215 0.530 1.252 1.00 73.22 H new ATOM 0 HA MET A 1 0.663 1.093 -1.384 1.00 3.14 H new ATOM 0 HB2 MET A 1 -1.285 2.897 -0.041 1.00 12.20 H new ATOM 0 HB3 MET A 1 0.171 3.679 -0.623 1.00 12.20 H new ATOM 0 HG2 MET A 1 -0.854 3.806 -2.616 1.00 62.21 H new ATOM 0 HG3 MET A 1 -0.529 2.092 -2.778 1.00 62.21 H new ATOM 0 HE1 MET A 1 -4.427 3.537 -3.625 1.00 4.05 H new ATOM 0 HE2 MET A 1 -3.102 4.648 -3.202 1.00 4.05 H new ATOM 0 HE3 MET A 1 -2.842 3.376 -4.419 1.00 4.05 H new ATOM 18 N SER A 2 2.631 2.309 -0.300 1.00 71.24 N ATOM 19 CA SER A 2 3.872 2.675 0.372 1.00 51.51 C ATOM 20 C SER A 2 3.651 3.855 1.314 1.00 22.24 C ATOM 21 O SER A 2 2.515 4.250 1.574 1.00 2.23 O ATOM 22 CB SER A 2 4.950 3.024 -0.656 1.00 51.31 C ATOM 23 OG SER A 2 4.572 2.601 -1.955 1.00 23.13 O ATOM 0 H SER A 2 2.661 2.394 -1.316 1.00 71.24 H new ATOM 0 HA SER A 2 4.204 1.819 0.960 1.00 51.51 H new ATOM 0 HB2 SER A 2 5.122 4.100 -0.656 1.00 51.31 H new ATOM 0 HB3 SER A 2 5.891 2.551 -0.376 1.00 51.31 H new ATOM 0 HG SER A 2 4.892 1.687 -2.107 1.00 23.13 H new ATOM 29 N GLN A 3 4.746 4.411 1.822 1.00 2.13 N ATOM 30 CA GLN A 3 4.673 5.545 2.736 1.00 32.35 C ATOM 31 C GLN A 3 5.141 6.826 2.054 1.00 21.30 C ATOM 32 O GLN A 3 6.180 6.845 1.395 1.00 12.22 O ATOM 33 CB GLN A 3 5.519 5.278 3.982 1.00 21.24 C ATOM 34 CG GLN A 3 4.770 5.501 5.286 1.00 32.41 C ATOM 35 CD GLN A 3 5.639 6.126 6.359 1.00 20.34 C ATOM 36 OE1 GLN A 3 6.007 5.471 7.335 1.00 4.43 O ATOM 37 NE2 GLN A 3 5.972 7.399 6.184 1.00 1.23 N ATOM 0 H GLN A 3 5.694 4.095 1.616 1.00 2.13 H new ATOM 0 HA GLN A 3 3.632 5.673 3.033 1.00 32.35 H new ATOM 0 HB2 GLN A 3 5.881 4.250 3.952 1.00 21.24 H new ATOM 0 HB3 GLN A 3 6.396 5.925 3.961 1.00 21.24 H new ATOM 0 HG2 GLN A 3 3.909 6.144 5.101 1.00 32.41 H new ATOM 0 HG3 GLN A 3 4.384 4.547 5.646 1.00 32.41 H new ATOM 0 HE21 GLN A 3 5.645 7.903 5.360 1.00 1.23 H new ATOM 0 HE22 GLN A 3 6.555 7.873 6.873 1.00 1.23 H new ATOM 46 N ASN A 4 4.367 7.894 2.216 1.00 21.15 N ATOM 47 CA ASN A 4 4.703 9.179 1.615 1.00 54.41 C ATOM 48 C ASN A 4 5.559 10.016 2.561 1.00 70.32 C ATOM 49 O ASN A 4 5.096 11.013 3.116 1.00 65.44 O ATOM 50 CB ASN A 4 3.428 9.944 1.252 1.00 41.21 C ATOM 51 CG ASN A 4 2.306 9.023 0.815 1.00 73.05 C ATOM 52 OD1 ASN A 4 2.106 8.793 -0.378 1.00 54.12 O ATOM 53 ND2 ASN A 4 1.567 8.491 1.781 1.00 32.31 N ATOM 0 H ASN A 4 3.503 7.895 2.758 1.00 21.15 H new ATOM 0 HA ASN A 4 5.276 8.989 0.708 1.00 54.41 H new ATOM 0 HB2 ASN A 4 3.101 10.528 2.112 1.00 41.21 H new ATOM 0 HB3 ASN A 4 3.647 10.651 0.451 1.00 41.21 H new ATOM 0 HD21 ASN A 4 0.797 7.864 1.548 1.00 32.31 H new ATOM 0 HD22 ASN A 4 1.769 8.710 2.757 1.00 32.31 H new ATOM 60 N ARG A 5 6.810 9.603 2.739 1.00 34.22 N ATOM 61 CA ARG A 5 7.731 10.313 3.618 1.00 13.21 C ATOM 62 C ARG A 5 9.179 10.041 3.222 1.00 31.34 C ATOM 63 O ARG A 5 9.836 10.887 2.617 1.00 70.11 O ATOM 64 CB ARG A 5 7.502 9.900 5.073 1.00 31.21 C ATOM 65 CG ARG A 5 8.409 10.617 6.060 1.00 61.43 C ATOM 66 CD ARG A 5 8.309 10.010 7.451 1.00 50.14 C ATOM 67 NE ARG A 5 7.126 10.478 8.168 1.00 71.12 N ATOM 68 CZ ARG A 5 7.045 11.666 8.756 1.00 40.43 C ATOM 69 NH1 ARG A 5 8.073 12.503 8.711 1.00 33.02 N ATOM 70 NH2 ARG A 5 5.934 12.020 9.389 1.00 2.33 N ATOM 0 H ARG A 5 7.209 8.781 2.286 1.00 34.22 H new ATOM 0 HA ARG A 5 7.540 11.381 3.517 1.00 13.21 H new ATOM 0 HB2 ARG A 5 6.463 10.097 5.338 1.00 31.21 H new ATOM 0 HB3 ARG A 5 7.657 8.825 5.165 1.00 31.21 H new ATOM 0 HG2 ARG A 5 9.441 10.564 5.712 1.00 61.43 H new ATOM 0 HG3 ARG A 5 8.140 11.673 6.102 1.00 61.43 H new ATOM 0 HD2 ARG A 5 8.278 8.923 7.371 1.00 50.14 H new ATOM 0 HD3 ARG A 5 9.203 10.262 8.022 1.00 50.14 H new ATOM 0 HE ARG A 5 6.317 9.858 8.220 1.00 71.12 H new ATOM 0 HH11 ARG A 5 8.928 12.235 8.224 1.00 33.02 H new ATOM 0 HH12 ARG A 5 8.008 13.415 9.163 1.00 33.02 H new ATOM 0 HH21 ARG A 5 5.141 11.379 9.424 1.00 2.33 H new ATOM 0 HH22 ARG A 5 5.873 12.933 9.840 1.00 2.33 H new ATOM 84 N GLN A 6 9.669 8.855 3.570 1.00 73.14 N ATOM 85 CA GLN A 6 11.039 8.472 3.252 1.00 43.25 C ATOM 86 C GLN A 6 11.090 7.065 2.667 1.00 73.45 C ATOM 87 O GLN A 6 10.211 6.241 2.926 1.00 52.43 O ATOM 88 CB GLN A 6 11.916 8.549 4.503 1.00 41.04 C ATOM 89 CG GLN A 6 11.969 7.249 5.289 1.00 2.20 C ATOM 90 CD GLN A 6 10.594 6.751 5.686 1.00 33.40 C ATOM 91 OE1 GLN A 6 9.737 7.528 6.109 1.00 61.34 O ATOM 92 NE2 GLN A 6 10.374 5.448 5.552 1.00 64.22 N ATOM 0 H GLN A 6 9.138 8.144 4.072 1.00 73.14 H new ATOM 0 HA GLN A 6 11.420 9.169 2.506 1.00 43.25 H new ATOM 0 HB2 GLN A 6 12.928 8.829 4.211 1.00 41.04 H new ATOM 0 HB3 GLN A 6 11.541 9.341 5.151 1.00 41.04 H new ATOM 0 HG2 GLN A 6 12.468 6.487 4.690 1.00 2.20 H new ATOM 0 HG3 GLN A 6 12.571 7.395 6.186 1.00 2.20 H new ATOM 0 HE21 GLN A 6 11.112 4.840 5.197 1.00 64.22 H new ATOM 0 HE22 GLN A 6 9.467 5.055 5.804 1.00 64.22 H new ATOM 101 N LEU A 7 12.123 6.794 1.876 1.00 13.53 N ATOM 102 CA LEU A 7 12.288 5.486 1.254 1.00 71.44 C ATOM 103 C LEU A 7 13.441 4.720 1.894 1.00 64.24 C ATOM 104 O LEU A 7 14.563 5.222 1.979 1.00 12.31 O ATOM 105 CB LEU A 7 12.535 5.641 -0.248 1.00 73.10 C ATOM 106 CG LEU A 7 11.302 5.533 -1.146 1.00 35.14 C ATOM 107 CD1 LEU A 7 10.981 4.076 -1.439 1.00 61.44 C ATOM 108 CD2 LEU A 7 10.109 6.223 -0.499 1.00 43.32 C ATOM 0 H LEU A 7 12.859 7.464 1.651 1.00 13.53 H new ATOM 0 HA LEU A 7 11.370 4.919 1.408 1.00 71.44 H new ATOM 0 HB2 LEU A 7 13.002 6.611 -0.421 1.00 73.10 H new ATOM 0 HB3 LEU A 7 13.253 4.882 -0.558 1.00 73.10 H new ATOM 0 HG LEU A 7 11.519 6.033 -2.090 1.00 35.14 H new ATOM 0 HD11 LEU A 7 10.101 4.019 -2.079 1.00 61.44 H new ATOM 0 HD12 LEU A 7 11.828 3.611 -1.944 1.00 61.44 H new ATOM 0 HD13 LEU A 7 10.784 3.552 -0.504 1.00 61.44 H new ATOM 0 HD21 LEU A 7 9.240 6.136 -1.152 1.00 43.32 H new ATOM 0 HD22 LEU A 7 9.891 5.751 0.459 1.00 43.32 H new ATOM 0 HD23 LEU A 7 10.340 7.276 -0.340 1.00 43.32 H new ATOM 120 N LEU A 8 13.160 3.501 2.340 1.00 72.20 N ATOM 121 CA LEU A 8 14.174 2.663 2.970 1.00 5.44 C ATOM 122 C LEU A 8 15.396 2.516 2.069 1.00 72.23 C ATOM 123 O LEU A 8 16.466 3.048 2.364 1.00 22.11 O ATOM 124 CB LEU A 8 13.597 1.285 3.295 1.00 35.12 C ATOM 125 CG LEU A 8 13.569 0.900 4.775 1.00 52.31 C ATOM 126 CD1 LEU A 8 13.096 -0.535 4.945 1.00 55.04 C ATOM 127 CD2 LEU A 8 14.943 1.088 5.401 1.00 41.24 C ATOM 0 H LEU A 8 12.237 3.070 2.277 1.00 72.20 H new ATOM 0 HA LEU A 8 14.484 3.147 3.896 1.00 5.44 H new ATOM 0 HB2 LEU A 8 12.579 1.240 2.909 1.00 35.12 H new ATOM 0 HB3 LEU A 8 14.176 0.535 2.756 1.00 35.12 H new ATOM 0 HG LEU A 8 12.865 1.556 5.288 1.00 52.31 H new ATOM 0 HD11 LEU A 8 13.083 -0.791 6.005 1.00 55.04 H new ATOM 0 HD12 LEU A 8 12.092 -0.638 4.534 1.00 55.04 H new ATOM 0 HD13 LEU A 8 13.774 -1.206 4.418 1.00 55.04 H new ATOM 0 HD21 LEU A 8 14.904 0.809 6.454 1.00 41.24 H new ATOM 0 HD22 LEU A 8 15.667 0.457 4.885 1.00 41.24 H new ATOM 0 HD23 LEU A 8 15.243 2.132 5.313 1.00 41.24 H new ATOM 139 N TYR A 9 15.228 1.792 0.968 1.00 54.24 N ATOM 140 CA TYR A 9 16.316 1.574 0.022 1.00 2.54 C ATOM 141 C TYR A 9 15.816 0.861 -1.230 1.00 52.30 C ATOM 142 O TYR A 9 16.089 -0.318 -1.455 1.00 50.12 O ATOM 143 CB TYR A 9 17.432 0.758 0.676 1.00 31.25 C ATOM 144 CG TYR A 9 16.947 -0.153 1.782 1.00 4.42 C ATOM 145 CD1 TYR A 9 15.945 -1.086 1.551 1.00 73.34 C ATOM 146 CD2 TYR A 9 17.491 -0.078 3.059 1.00 62.44 C ATOM 147 CE1 TYR A 9 15.498 -1.920 2.558 1.00 42.31 C ATOM 148 CE2 TYR A 9 17.052 -0.909 4.071 1.00 10.24 C ATOM 149 CZ TYR A 9 16.055 -1.827 3.816 1.00 23.53 C ATOM 150 OH TYR A 9 15.614 -2.655 4.823 1.00 20.40 O ATOM 0 H TYR A 9 14.348 1.346 0.709 1.00 54.24 H new ATOM 0 HA TYR A 9 16.710 2.548 -0.270 1.00 2.54 H new ATOM 0 HB2 TYR A 9 17.927 0.158 -0.087 1.00 31.25 H new ATOM 0 HB3 TYR A 9 18.180 1.440 1.080 1.00 31.25 H new ATOM 0 HD1 TYR A 9 15.507 -1.161 0.567 1.00 73.34 H new ATOM 0 HD2 TYR A 9 18.270 0.642 3.263 1.00 62.44 H new ATOM 0 HE1 TYR A 9 14.717 -2.640 2.361 1.00 42.31 H new ATOM 0 HE2 TYR A 9 17.487 -0.840 5.057 1.00 10.24 H new ATOM 0 HH TYR A 9 16.110 -2.462 5.646 1.00 20.40 H new ATOM 160 N PRO A 10 15.065 1.593 -2.066 1.00 51.33 N ATOM 161 CA PRO A 10 14.511 1.053 -3.311 1.00 52.13 C ATOM 162 C PRO A 10 15.588 0.785 -4.357 1.00 32.32 C ATOM 163 O PRO A 10 16.294 1.699 -4.783 1.00 73.22 O ATOM 164 CB PRO A 10 13.566 2.159 -3.788 1.00 42.14 C ATOM 165 CG PRO A 10 14.109 3.408 -3.184 1.00 63.11 C ATOM 166 CD PRO A 10 14.700 3.005 -1.861 1.00 75.01 C ATOM 0 HA PRO A 10 14.021 0.092 -3.156 1.00 52.13 H new ATOM 0 HB2 PRO A 10 13.547 2.221 -4.876 1.00 42.14 H new ATOM 0 HB3 PRO A 10 12.543 1.974 -3.461 1.00 42.14 H new ATOM 0 HG2 PRO A 10 14.865 3.857 -3.829 1.00 63.11 H new ATOM 0 HG3 PRO A 10 13.323 4.151 -3.050 1.00 63.11 H new ATOM 0 HD2 PRO A 10 15.569 3.612 -1.608 1.00 75.01 H new ATOM 0 HD3 PRO A 10 13.983 3.121 -1.049 1.00 75.01 H new ATOM 174 N ARG A 11 15.708 -0.474 -4.766 1.00 2.00 N ATOM 175 CA ARG A 11 16.700 -0.862 -5.761 1.00 61.24 C ATOM 176 C ARG A 11 16.629 -2.360 -6.044 1.00 44.01 C ATOM 177 O ARG A 11 16.869 -2.801 -7.168 1.00 4.25 O ATOM 178 CB ARG A 11 18.105 -0.488 -5.285 1.00 40.04 C ATOM 179 CG ARG A 11 18.363 -0.823 -3.826 1.00 31.35 C ATOM 180 CD ARG A 11 19.841 -1.065 -3.562 1.00 71.42 C ATOM 181 NE ARG A 11 20.055 -1.962 -2.429 1.00 44.24 N ATOM 182 CZ ARG A 11 21.249 -2.200 -1.897 1.00 34.25 C ATOM 183 NH1 ARG A 11 22.329 -1.611 -2.391 1.00 73.50 N ATOM 184 NH2 ARG A 11 21.363 -3.029 -0.866 1.00 50.24 N ATOM 0 H ARG A 11 15.131 -1.242 -4.424 1.00 2.00 H new ATOM 0 HA ARG A 11 16.482 -0.324 -6.684 1.00 61.24 H new ATOM 0 HB2 ARG A 11 18.839 -1.006 -5.903 1.00 40.04 H new ATOM 0 HB3 ARG A 11 18.258 0.581 -5.436 1.00 40.04 H new ATOM 0 HG2 ARG A 11 18.009 -0.007 -3.196 1.00 31.35 H new ATOM 0 HG3 ARG A 11 17.793 -1.710 -3.549 1.00 31.35 H new ATOM 0 HD2 ARG A 11 20.304 -1.490 -4.453 1.00 71.42 H new ATOM 0 HD3 ARG A 11 20.335 -0.113 -3.369 1.00 71.42 H new ATOM 0 HE ARG A 11 19.244 -2.431 -2.025 1.00 44.24 H new ATOM 0 HH11 ARG A 11 22.245 -0.973 -3.182 1.00 73.50 H new ATOM 0 HH12 ARG A 11 23.244 -1.796 -1.980 1.00 73.50 H new ATOM 0 HH21 ARG A 11 20.534 -3.483 -0.483 1.00 50.24 H new ATOM 0 HH22 ARG A 11 22.280 -3.212 -0.458 1.00 50.24 H new ATOM 198 N GLU A 12 16.299 -3.136 -5.017 1.00 31.05 N ATOM 199 CA GLU A 12 16.198 -4.584 -5.155 1.00 62.12 C ATOM 200 C GLU A 12 15.287 -4.957 -6.321 1.00 61.01 C ATOM 201 O GLU A 12 15.459 -6.003 -6.946 1.00 31.12 O ATOM 202 CB GLU A 12 15.670 -5.207 -3.861 1.00 60.13 C ATOM 203 CG GLU A 12 16.302 -6.548 -3.529 1.00 61.43 C ATOM 204 CD GLU A 12 17.577 -6.408 -2.720 1.00 72.21 C ATOM 205 OE1 GLU A 12 18.223 -5.343 -2.811 1.00 74.14 O ATOM 206 OE2 GLU A 12 17.929 -7.363 -1.996 1.00 53.21 O ATOM 0 H GLU A 12 16.097 -2.786 -4.080 1.00 31.05 H new ATOM 0 HA GLU A 12 17.196 -4.974 -5.356 1.00 62.12 H new ATOM 0 HB2 GLU A 12 15.848 -4.517 -3.036 1.00 60.13 H new ATOM 0 HB3 GLU A 12 14.591 -5.334 -3.943 1.00 60.13 H new ATOM 0 HG2 GLU A 12 15.588 -7.154 -2.972 1.00 61.43 H new ATOM 0 HG3 GLU A 12 16.520 -7.082 -4.454 1.00 61.43 H new ATOM 213 N GLU A 13 14.318 -4.093 -6.607 1.00 32.22 N ATOM 214 CA GLU A 13 13.379 -4.333 -7.696 1.00 52.24 C ATOM 215 C GLU A 13 13.907 -3.755 -9.007 1.00 32.35 C ATOM 216 O GLU A 13 13.775 -4.369 -10.065 1.00 55.32 O ATOM 217 CB GLU A 13 12.016 -3.720 -7.369 1.00 12.43 C ATOM 218 CG GLU A 13 12.061 -2.217 -7.151 1.00 50.50 C ATOM 219 CD GLU A 13 11.694 -1.435 -8.398 1.00 21.23 C ATOM 220 OE1 GLU A 13 11.768 -2.013 -9.502 1.00 63.15 O ATOM 221 OE2 GLU A 13 11.333 -0.247 -8.269 1.00 43.21 O ATOM 0 H GLU A 13 14.163 -3.222 -6.100 1.00 32.22 H new ATOM 0 HA GLU A 13 13.266 -5.411 -7.813 1.00 52.24 H new ATOM 0 HB2 GLU A 13 11.324 -3.940 -8.182 1.00 12.43 H new ATOM 0 HB3 GLU A 13 11.618 -4.197 -6.473 1.00 12.43 H new ATOM 0 HG2 GLU A 13 11.378 -1.950 -6.345 1.00 50.50 H new ATOM 0 HG3 GLU A 13 13.062 -1.930 -6.828 1.00 50.50 H new ATOM 228 N MET A 14 14.505 -2.571 -8.926 1.00 33.11 N ATOM 229 CA MET A 14 15.053 -1.911 -10.105 1.00 2.33 C ATOM 230 C MET A 14 15.957 -2.858 -10.887 1.00 41.14 C ATOM 231 O MET A 14 15.905 -2.908 -12.116 1.00 40.24 O ATOM 232 CB MET A 14 15.836 -0.661 -9.698 1.00 14.44 C ATOM 233 CG MET A 14 14.990 0.602 -9.664 1.00 35.31 C ATOM 234 SD MET A 14 14.802 1.356 -11.291 1.00 22.10 S ATOM 235 CE MET A 14 13.110 0.912 -11.677 1.00 4.50 C ATOM 0 H MET A 14 14.622 -2.050 -8.057 1.00 33.11 H new ATOM 0 HA MET A 14 14.222 -1.618 -10.746 1.00 2.33 H new ATOM 0 HB2 MET A 14 16.274 -0.822 -8.713 1.00 14.44 H new ATOM 0 HB3 MET A 14 16.662 -0.517 -10.395 1.00 14.44 H new ATOM 0 HG2 MET A 14 14.005 0.364 -9.262 1.00 35.31 H new ATOM 0 HG3 MET A 14 15.446 1.322 -8.985 1.00 35.31 H new ATOM 0 HE1 MET A 14 13.100 0.199 -12.501 1.00 4.50 H new ATOM 0 HE2 MET A 14 12.643 0.461 -10.801 1.00 4.50 H new ATOM 0 HE3 MET A 14 12.556 1.806 -11.964 1.00 4.50 H new ATOM 245 N VAL A 15 16.786 -3.608 -10.168 1.00 34.02 N ATOM 246 CA VAL A 15 17.700 -4.554 -10.795 1.00 64.31 C ATOM 247 C VAL A 15 16.943 -5.727 -11.407 1.00 60.25 C ATOM 248 O VAL A 15 17.379 -6.310 -12.400 1.00 72.50 O ATOM 249 CB VAL A 15 18.730 -5.094 -9.784 1.00 51.25 C ATOM 250 CG1 VAL A 15 19.563 -3.957 -9.212 1.00 61.04 C ATOM 251 CG2 VAL A 15 18.032 -5.865 -8.674 1.00 64.55 C ATOM 0 H VAL A 15 16.843 -3.578 -9.150 1.00 34.02 H new ATOM 0 HA VAL A 15 18.224 -4.013 -11.583 1.00 64.31 H new ATOM 0 HB VAL A 15 19.401 -5.778 -10.304 1.00 51.25 H new ATOM 0 HG11 VAL A 15 20.285 -4.357 -8.500 1.00 61.04 H new ATOM 0 HG12 VAL A 15 20.092 -3.451 -10.020 1.00 61.04 H new ATOM 0 HG13 VAL A 15 18.910 -3.246 -8.706 1.00 61.04 H new ATOM 0 HG21 VAL A 15 18.774 -6.239 -7.969 1.00 64.55 H new ATOM 0 HG22 VAL A 15 17.338 -5.205 -8.154 1.00 64.55 H new ATOM 0 HG23 VAL A 15 17.484 -6.704 -9.103 1.00 64.55 H new ATOM 261 N SER A 16 15.806 -6.067 -10.809 1.00 71.42 N ATOM 262 CA SER A 16 14.988 -7.173 -11.294 1.00 24.53 C ATOM 263 C SER A 16 14.625 -6.977 -12.762 1.00 74.44 C ATOM 264 O SER A 16 14.776 -7.887 -13.579 1.00 31.44 O ATOM 265 CB SER A 16 13.716 -7.301 -10.454 1.00 10.00 C ATOM 266 OG SER A 16 13.332 -8.658 -10.312 1.00 45.20 O ATOM 0 H SER A 16 15.430 -5.593 -9.988 1.00 71.42 H new ATOM 0 HA SER A 16 15.569 -8.090 -11.201 1.00 24.53 H new ATOM 0 HB2 SER A 16 13.881 -6.862 -9.470 1.00 10.00 H new ATOM 0 HB3 SER A 16 12.909 -6.739 -10.923 1.00 10.00 H new ATOM 0 HG SER A 16 12.518 -8.712 -9.770 1.00 45.20 H new ATOM 272 N LEU A 17 14.144 -5.784 -13.092 1.00 0.53 N ATOM 273 CA LEU A 17 13.758 -5.466 -14.462 1.00 52.22 C ATOM 274 C LEU A 17 14.935 -5.647 -15.415 1.00 54.15 C ATOM 275 O LEU A 17 14.921 -6.528 -16.275 1.00 53.25 O ATOM 276 CB LEU A 17 13.235 -4.031 -14.546 1.00 2.41 C ATOM 277 CG LEU A 17 12.061 -3.689 -13.628 1.00 22.14 C ATOM 278 CD1 LEU A 17 11.228 -4.929 -13.343 1.00 21.23 C ATOM 279 CD2 LEU A 17 12.561 -3.071 -12.330 1.00 43.32 C ATOM 0 H LEU A 17 14.012 -5.020 -12.429 1.00 0.53 H new ATOM 0 HA LEU A 17 12.965 -6.153 -14.758 1.00 52.22 H new ATOM 0 HB2 LEU A 17 14.057 -3.352 -14.319 1.00 2.41 H new ATOM 0 HB3 LEU A 17 12.934 -3.835 -15.575 1.00 2.41 H new ATOM 0 HG LEU A 17 11.429 -2.960 -14.135 1.00 22.14 H new ATOM 0 HD11 LEU A 17 10.397 -4.667 -12.688 1.00 21.23 H new ATOM 0 HD12 LEU A 17 10.840 -5.330 -14.279 1.00 21.23 H new ATOM 0 HD13 LEU A 17 11.849 -5.681 -12.857 1.00 21.23 H new ATOM 0 HD21 LEU A 17 11.712 -2.834 -11.689 1.00 43.32 H new ATOM 0 HD22 LEU A 17 13.215 -3.777 -11.819 1.00 43.32 H new ATOM 0 HD23 LEU A 17 13.114 -2.158 -12.551 1.00 43.32 H new ATOM 291 N VAL A 18 15.954 -4.808 -15.256 1.00 33.54 N ATOM 292 CA VAL A 18 17.141 -4.878 -16.100 1.00 15.14 C ATOM 293 C VAL A 18 17.689 -6.299 -16.160 1.00 42.05 C ATOM 294 O VAL A 18 18.248 -6.717 -17.175 1.00 11.41 O ATOM 295 CB VAL A 18 18.246 -3.934 -15.592 1.00 4.32 C ATOM 296 CG1 VAL A 18 18.754 -4.388 -14.232 1.00 15.14 C ATOM 297 CG2 VAL A 18 19.386 -3.859 -16.597 1.00 73.10 C ATOM 0 H VAL A 18 15.981 -4.072 -14.550 1.00 33.54 H new ATOM 0 HA VAL A 18 16.838 -4.566 -17.100 1.00 15.14 H new ATOM 0 HB VAL A 18 17.823 -2.936 -15.480 1.00 4.32 H new ATOM 0 HG11 VAL A 18 19.534 -3.708 -13.890 1.00 15.14 H new ATOM 0 HG12 VAL A 18 17.931 -4.386 -13.517 1.00 15.14 H new ATOM 0 HG13 VAL A 18 19.161 -5.396 -14.313 1.00 15.14 H new ATOM 0 HG21 VAL A 18 20.158 -3.187 -16.222 1.00 73.10 H new ATOM 0 HG22 VAL A 18 19.809 -4.853 -16.742 1.00 73.10 H new ATOM 0 HG23 VAL A 18 19.009 -3.483 -17.548 1.00 73.10 H new ATOM 307 N ARG A 19 17.526 -7.038 -15.068 1.00 55.10 N ATOM 308 CA ARG A 19 18.005 -8.413 -14.997 1.00 1.23 C ATOM 309 C ARG A 19 17.157 -9.330 -15.873 1.00 24.52 C ATOM 310 O ARG A 19 17.676 -10.239 -16.522 1.00 0.15 O ATOM 311 CB ARG A 19 17.983 -8.909 -13.550 1.00 4.44 C ATOM 312 CG ARG A 19 19.219 -8.520 -12.754 1.00 61.42 C ATOM 313 CD ARG A 19 20.242 -9.646 -12.729 1.00 54.32 C ATOM 314 NE ARG A 19 19.821 -10.748 -11.869 1.00 21.32 N ATOM 315 CZ ARG A 19 19.890 -10.713 -10.543 1.00 21.23 C ATOM 316 NH1 ARG A 19 20.360 -9.636 -9.928 1.00 60.42 N ATOM 317 NH2 ARG A 19 19.488 -11.757 -9.828 1.00 50.43 N ATOM 0 H ARG A 19 17.066 -6.708 -14.220 1.00 55.10 H new ATOM 0 HA ARG A 19 19.031 -8.433 -15.366 1.00 1.23 H new ATOM 0 HB2 ARG A 19 17.100 -8.510 -13.051 1.00 4.44 H new ATOM 0 HB3 ARG A 19 17.887 -9.995 -13.548 1.00 4.44 H new ATOM 0 HG2 ARG A 19 19.668 -7.628 -13.190 1.00 61.42 H new ATOM 0 HG3 ARG A 19 18.931 -8.265 -11.734 1.00 61.42 H new ATOM 0 HD2 ARG A 19 20.399 -10.016 -13.742 1.00 54.32 H new ATOM 0 HD3 ARG A 19 21.199 -9.259 -12.380 1.00 54.32 H new ATOM 0 HE ARG A 19 19.454 -11.591 -12.311 1.00 21.32 H new ATOM 0 HH11 ARG A 19 20.670 -8.832 -10.473 1.00 60.42 H new ATOM 0 HH12 ARG A 19 20.412 -9.612 -8.910 1.00 60.42 H new ATOM 0 HH21 ARG A 19 19.126 -12.587 -10.297 1.00 50.43 H new ATOM 0 HH22 ARG A 19 19.542 -11.729 -8.810 1.00 50.43 H new ATOM 331 N SER A 20 15.851 -9.087 -15.886 1.00 12.43 N ATOM 332 CA SER A 20 14.930 -9.893 -16.678 1.00 64.44 C ATOM 333 C SER A 20 15.294 -9.835 -18.159 1.00 55.10 C ATOM 334 O SER A 20 15.100 -10.802 -18.897 1.00 32.24 O ATOM 335 CB SER A 20 13.492 -9.413 -16.475 1.00 3.41 C ATOM 336 OG SER A 20 13.191 -8.328 -17.335 1.00 51.41 O ATOM 0 H SER A 20 15.406 -8.337 -15.356 1.00 12.43 H new ATOM 0 HA SER A 20 15.010 -10.927 -16.342 1.00 64.44 H new ATOM 0 HB2 SER A 20 12.801 -10.234 -16.665 1.00 3.41 H new ATOM 0 HB3 SER A 20 13.349 -9.110 -15.438 1.00 3.41 H new ATOM 0 HG SER A 20 13.632 -7.517 -17.005 1.00 51.41 H new ATOM 342 N LEU A 21 15.821 -8.694 -18.587 1.00 42.54 N ATOM 343 CA LEU A 21 16.212 -8.507 -19.980 1.00 45.33 C ATOM 344 C LEU A 21 17.724 -8.631 -20.143 1.00 0.03 C ATOM 345 O LEU A 21 18.471 -8.558 -19.167 1.00 63.40 O ATOM 346 CB LEU A 21 15.745 -7.140 -20.483 1.00 53.20 C ATOM 347 CG LEU A 21 16.468 -5.926 -19.898 1.00 61.14 C ATOM 348 CD1 LEU A 21 17.209 -5.169 -20.990 1.00 35.11 C ATOM 349 CD2 LEU A 21 15.483 -5.011 -19.186 1.00 4.43 C ATOM 0 H LEU A 21 15.988 -7.884 -17.990 1.00 42.54 H new ATOM 0 HA LEU A 21 15.735 -9.288 -20.573 1.00 45.33 H new ATOM 0 HB2 LEU A 21 15.857 -7.117 -21.567 1.00 53.20 H new ATOM 0 HB3 LEU A 21 14.681 -7.041 -20.270 1.00 53.20 H new ATOM 0 HG LEU A 21 17.198 -6.278 -19.169 1.00 61.14 H new ATOM 0 HD11 LEU A 21 17.717 -4.308 -20.555 1.00 35.11 H new ATOM 0 HD12 LEU A 21 17.943 -5.827 -21.455 1.00 35.11 H new ATOM 0 HD13 LEU A 21 16.498 -4.828 -21.743 1.00 35.11 H new ATOM 0 HD21 LEU A 21 16.015 -4.153 -18.776 1.00 4.43 H new ATOM 0 HD22 LEU A 21 14.729 -4.667 -19.894 1.00 4.43 H new ATOM 0 HD23 LEU A 21 14.998 -5.558 -18.377 1.00 4.43 H new ATOM 361 N ASP A 22 18.167 -8.816 -21.381 1.00 63.52 N ATOM 362 CA ASP A 22 19.590 -8.947 -21.672 1.00 63.44 C ATOM 363 C ASP A 22 19.823 -9.153 -23.166 1.00 53.50 C ATOM 364 O ASP A 22 20.541 -10.066 -23.573 1.00 2.33 O ATOM 365 CB ASP A 22 20.188 -10.115 -20.885 1.00 44.54 C ATOM 366 CG ASP A 22 21.580 -9.810 -20.366 1.00 15.24 C ATOM 367 OD1 ASP A 22 22.357 -9.163 -21.098 1.00 25.25 O ATOM 368 OD2 ASP A 22 21.891 -10.219 -19.227 1.00 53.31 O ATOM 0 H ASP A 22 17.562 -8.879 -22.199 1.00 63.52 H new ATOM 0 HA ASP A 22 20.084 -8.024 -21.369 1.00 63.44 H new ATOM 0 HB2 ASP A 22 19.535 -10.356 -20.046 1.00 44.54 H new ATOM 0 HB3 ASP A 22 20.226 -10.998 -21.523 1.00 44.54 H new ATOM 373 N ARG A 23 19.209 -8.298 -23.978 1.00 41.10 N ATOM 374 CA ARG A 23 19.347 -8.387 -25.427 1.00 3.03 C ATOM 375 C ARG A 23 19.866 -7.074 -26.005 1.00 50.31 C ATOM 376 O ARG A 23 19.171 -6.374 -26.741 1.00 55.43 O ATOM 377 CB ARG A 23 18.005 -8.744 -26.067 1.00 52.14 C ATOM 378 CG ARG A 23 16.831 -7.965 -25.496 1.00 61.04 C ATOM 379 CD ARG A 23 15.870 -8.875 -24.748 1.00 1.04 C ATOM 380 NE ARG A 23 16.568 -9.772 -23.831 1.00 21.32 N ATOM 381 CZ ARG A 23 15.949 -10.642 -23.040 1.00 1.32 C ATOM 382 NH1 ARG A 23 14.626 -10.731 -23.054 1.00 3.32 N ATOM 383 NH2 ARG A 23 16.654 -11.425 -22.233 1.00 13.32 N ATOM 0 H ARG A 23 18.611 -7.536 -23.657 1.00 41.10 H new ATOM 0 HA ARG A 23 20.069 -9.173 -25.651 1.00 3.03 H new ATOM 0 HB2 ARG A 23 18.064 -8.561 -27.140 1.00 52.14 H new ATOM 0 HB3 ARG A 23 17.821 -9.810 -25.935 1.00 52.14 H new ATOM 0 HG2 ARG A 23 17.199 -7.191 -24.823 1.00 61.04 H new ATOM 0 HG3 ARG A 23 16.301 -7.459 -26.303 1.00 61.04 H new ATOM 0 HD2 ARG A 23 15.157 -8.269 -24.189 1.00 1.04 H new ATOM 0 HD3 ARG A 23 15.296 -9.463 -25.464 1.00 1.04 H new ATOM 0 HE ARG A 23 17.586 -9.728 -23.796 1.00 21.32 H new ATOM 0 HH11 ARG A 23 14.081 -10.131 -23.673 1.00 3.32 H new ATOM 0 HH12 ARG A 23 14.153 -11.400 -22.446 1.00 3.32 H new ATOM 0 HH21 ARG A 23 17.672 -11.359 -22.220 1.00 13.32 H new ATOM 0 HH22 ARG A 23 16.178 -12.093 -21.626 1.00 13.32 H new ATOM 397 N PRO A 24 21.117 -6.730 -25.665 1.00 20.13 N ATOM 398 CA PRO A 24 21.757 -5.499 -26.139 1.00 73.31 C ATOM 399 C PRO A 24 22.071 -5.547 -27.630 1.00 51.05 C ATOM 400 O PRO A 24 23.216 -5.766 -28.025 1.00 75.55 O ATOM 401 CB PRO A 24 23.050 -5.434 -25.322 1.00 55.11 C ATOM 402 CG PRO A 24 23.340 -6.849 -24.959 1.00 65.35 C ATOM 403 CD PRO A 24 22.004 -7.517 -24.791 1.00 53.21 C ATOM 0 HA PRO A 24 21.112 -4.629 -26.012 1.00 73.31 H new ATOM 0 HB2 PRO A 24 23.864 -4.999 -25.903 1.00 55.11 H new ATOM 0 HB3 PRO A 24 22.926 -4.815 -24.434 1.00 55.11 H new ATOM 0 HG2 PRO A 24 23.926 -7.339 -25.737 1.00 65.35 H new ATOM 0 HG3 PRO A 24 23.922 -6.904 -24.039 1.00 65.35 H new ATOM 0 HD2 PRO A 24 22.038 -8.564 -25.091 1.00 53.21 H new ATOM 0 HD3 PRO A 24 21.670 -7.493 -23.754 1.00 53.21 H new ATOM 411 N GLN A 25 21.048 -5.340 -28.453 1.00 13.40 N ATOM 412 CA GLN A 25 21.216 -5.359 -29.901 1.00 62.42 C ATOM 413 C GLN A 25 22.143 -4.237 -30.357 1.00 14.22 C ATOM 414 O GLN A 25 23.100 -4.471 -31.093 1.00 44.20 O ATOM 415 CB GLN A 25 19.859 -5.230 -30.596 1.00 24.45 C ATOM 416 CG GLN A 25 18.930 -6.405 -30.338 1.00 31.33 C ATOM 417 CD GLN A 25 18.438 -7.052 -31.617 1.00 53.15 C ATOM 418 OE1 GLN A 25 17.237 -7.251 -31.804 1.00 50.22 O ATOM 419 NE2 GLN A 25 19.365 -7.384 -32.508 1.00 2.00 N ATOM 0 H GLN A 25 20.094 -5.157 -28.142 1.00 13.40 H new ATOM 0 HA GLN A 25 21.667 -6.312 -30.176 1.00 62.42 H new ATOM 0 HB2 GLN A 25 19.374 -4.313 -30.261 1.00 24.45 H new ATOM 0 HB3 GLN A 25 20.018 -5.132 -31.670 1.00 24.45 H new ATOM 0 HG2 GLN A 25 19.451 -7.149 -29.736 1.00 31.33 H new ATOM 0 HG3 GLN A 25 18.074 -6.065 -29.755 1.00 31.33 H new ATOM 0 HE21 GLN A 25 20.349 -7.201 -32.312 1.00 2.00 H new ATOM 0 HE22 GLN A 25 19.093 -7.822 -33.388 1.00 2.00 H new ATOM 428 N GLU A 26 21.850 -3.018 -29.914 1.00 52.01 N ATOM 429 CA GLU A 26 22.657 -1.859 -30.278 1.00 73.33 C ATOM 430 C GLU A 26 23.947 -1.818 -29.465 1.00 65.13 C ATOM 431 O GLU A 26 25.035 -1.657 -30.016 1.00 65.24 O ATOM 432 CB GLU A 26 21.863 -0.569 -30.062 1.00 23.01 C ATOM 433 CG GLU A 26 21.437 0.107 -31.354 1.00 1.40 C ATOM 434 CD GLU A 26 20.080 -0.364 -31.839 1.00 61.12 C ATOM 435 OE1 GLU A 26 19.114 -0.304 -31.049 1.00 45.34 O ATOM 436 OE2 GLU A 26 19.983 -0.794 -33.008 1.00 5.53 O ATOM 0 H GLU A 26 21.061 -2.808 -29.303 1.00 52.01 H new ATOM 0 HA GLU A 26 22.916 -1.945 -31.333 1.00 73.33 H new ATOM 0 HB2 GLU A 26 20.976 -0.793 -29.470 1.00 23.01 H new ATOM 0 HB3 GLU A 26 22.468 0.127 -29.480 1.00 23.01 H new ATOM 0 HG2 GLU A 26 21.410 1.186 -31.203 1.00 1.40 H new ATOM 0 HG3 GLU A 26 22.182 -0.089 -32.125 1.00 1.40 H new ATOM 443 N ASN A 27 23.817 -1.964 -28.151 1.00 32.13 N ATOM 444 CA ASN A 27 24.972 -1.942 -27.261 1.00 20.52 C ATOM 445 C ASN A 27 25.839 -0.716 -27.525 1.00 44.51 C ATOM 446 O ASN A 27 27.015 -0.835 -27.868 1.00 73.45 O ATOM 447 CB ASN A 27 25.802 -3.215 -27.438 1.00 21.54 C ATOM 448 CG ASN A 27 26.871 -3.362 -26.371 1.00 54.34 C ATOM 449 OD1 ASN A 27 28.053 -3.132 -26.626 1.00 70.02 O ATOM 450 ND2 ASN A 27 26.458 -3.746 -25.169 1.00 51.02 N ATOM 0 H ASN A 27 22.923 -2.099 -27.678 1.00 32.13 H new ATOM 0 HA ASN A 27 24.608 -1.893 -26.235 1.00 20.52 H new ATOM 0 HB2 ASN A 27 25.142 -4.082 -27.409 1.00 21.54 H new ATOM 0 HB3 ASN A 27 26.273 -3.205 -28.421 1.00 21.54 H new ATOM 0 HD21 ASN A 27 27.131 -3.861 -24.411 1.00 51.02 H new ATOM 0 HD22 ASN A 27 25.468 -3.926 -25.003 1.00 51.02 H new ATOM 457 N GLY A 28 25.250 0.465 -27.362 1.00 5.43 N ATOM 458 CA GLY A 28 25.984 1.697 -27.586 1.00 52.41 C ATOM 459 C GLY A 28 25.271 2.908 -27.017 1.00 3.21 C ATOM 460 O GLY A 28 25.907 3.817 -26.481 1.00 51.22 O ATOM 0 H GLY A 28 24.278 0.590 -27.079 1.00 5.43 H new ATOM 0 HA2 GLY A 28 26.972 1.615 -27.133 1.00 52.41 H new ATOM 0 HA3 GLY A 28 26.134 1.837 -28.656 1.00 52.41 H new ATOM 464 N LEU A 29 23.948 2.923 -27.133 1.00 61.25 N ATOM 465 CA LEU A 29 23.148 4.033 -26.627 1.00 74.55 C ATOM 466 C LEU A 29 21.672 3.652 -26.556 1.00 64.31 C ATOM 467 O LEU A 29 20.970 4.022 -25.616 1.00 15.34 O ATOM 468 CB LEU A 29 23.326 5.263 -27.518 1.00 12.40 C ATOM 469 CG LEU A 29 22.973 6.609 -26.882 1.00 74.54 C ATOM 470 CD1 LEU A 29 23.590 7.751 -27.673 1.00 41.24 C ATOM 471 CD2 LEU A 29 21.463 6.775 -26.791 1.00 52.22 C ATOM 0 H LEU A 29 23.406 2.179 -27.573 1.00 61.25 H new ATOM 0 HA LEU A 29 23.493 4.268 -25.620 1.00 74.55 H new ATOM 0 HB2 LEU A 29 24.364 5.301 -27.848 1.00 12.40 H new ATOM 0 HB3 LEU A 29 22.713 5.133 -28.410 1.00 12.40 H new ATOM 0 HG LEU A 29 23.383 6.631 -25.872 1.00 74.54 H new ATOM 0 HD11 LEU A 29 23.328 8.700 -27.206 1.00 41.24 H new ATOM 0 HD12 LEU A 29 24.674 7.640 -27.687 1.00 41.24 H new ATOM 0 HD13 LEU A 29 23.211 7.733 -28.695 1.00 41.24 H new ATOM 0 HD21 LEU A 29 21.230 7.738 -26.336 1.00 52.22 H new ATOM 0 HD22 LEU A 29 21.031 6.732 -27.791 1.00 52.22 H new ATOM 0 HD23 LEU A 29 21.045 5.975 -26.181 1.00 52.22 H new ATOM 483 N PHE A 30 21.210 2.908 -27.555 1.00 74.42 N ATOM 484 CA PHE A 30 19.818 2.475 -27.605 1.00 51.03 C ATOM 485 C PHE A 30 19.513 1.491 -26.480 1.00 24.13 C ATOM 486 O PHE A 30 18.353 1.182 -26.208 1.00 24.22 O ATOM 487 CB PHE A 30 19.511 1.830 -28.959 1.00 15.44 C ATOM 488 CG PHE A 30 18.839 2.761 -29.927 1.00 43.54 C ATOM 489 CD1 PHE A 30 19.520 3.851 -30.446 1.00 52.22 C ATOM 490 CD2 PHE A 30 17.528 2.547 -30.319 1.00 15.22 C ATOM 491 CE1 PHE A 30 18.905 4.710 -31.338 1.00 63.32 C ATOM 492 CE2 PHE A 30 16.908 3.402 -31.211 1.00 10.02 C ATOM 493 CZ PHE A 30 17.597 4.485 -31.720 1.00 42.31 C ATOM 0 H PHE A 30 21.779 2.592 -28.341 1.00 74.42 H new ATOM 0 HA PHE A 30 19.186 3.354 -27.476 1.00 51.03 H new ATOM 0 HB2 PHE A 30 20.440 1.469 -29.400 1.00 15.44 H new ATOM 0 HB3 PHE A 30 18.874 0.960 -28.802 1.00 15.44 H new ATOM 0 HD1 PHE A 30 20.543 4.031 -30.150 1.00 52.22 H new ATOM 0 HD2 PHE A 30 16.984 1.702 -29.923 1.00 15.22 H new ATOM 0 HE1 PHE A 30 19.447 5.556 -31.735 1.00 63.32 H new ATOM 0 HE2 PHE A 30 15.886 3.223 -31.510 1.00 10.02 H new ATOM 0 HZ PHE A 30 17.114 5.155 -32.416 1.00 42.31 H new ATOM 503 N SER A 31 20.564 1.002 -25.829 1.00 22.21 N ATOM 504 CA SER A 31 20.411 0.049 -24.736 1.00 14.34 C ATOM 505 C SER A 31 21.540 0.200 -23.721 1.00 62.01 C ATOM 506 O SER A 31 21.880 -0.746 -23.011 1.00 0.43 O ATOM 507 CB SER A 31 20.384 -1.381 -25.277 1.00 71.33 C ATOM 508 OG SER A 31 19.292 -1.572 -26.160 1.00 51.00 O ATOM 0 H SER A 31 21.531 1.250 -26.040 1.00 22.21 H new ATOM 0 HA SER A 31 19.466 0.258 -24.235 1.00 14.34 H new ATOM 0 HB2 SER A 31 21.318 -1.594 -25.797 1.00 71.33 H new ATOM 0 HB3 SER A 31 20.313 -2.085 -24.448 1.00 71.33 H new ATOM 0 HG SER A 31 19.298 -2.494 -26.493 1.00 51.00 H new ATOM 514 N GLN A 32 22.117 1.396 -23.661 1.00 21.23 N ATOM 515 CA GLN A 32 23.209 1.671 -22.734 1.00 71.21 C ATOM 516 C GLN A 32 23.321 3.166 -22.454 1.00 24.33 C ATOM 517 O GLN A 32 22.549 3.966 -22.982 1.00 3.13 O ATOM 518 CB GLN A 32 24.530 1.145 -23.299 1.00 33.12 C ATOM 519 CG GLN A 32 25.221 0.138 -22.393 1.00 54.22 C ATOM 520 CD GLN A 32 24.562 -1.227 -22.429 1.00 4.01 C ATOM 521 OE1 GLN A 32 24.238 -1.800 -21.388 1.00 65.23 O ATOM 522 NE2 GLN A 32 24.361 -1.756 -23.630 1.00 53.00 N ATOM 0 H GLN A 32 21.847 2.189 -24.243 1.00 21.23 H new ATOM 0 HA GLN A 32 22.994 1.159 -21.796 1.00 71.21 H new ATOM 0 HB2 GLN A 32 24.342 0.681 -24.267 1.00 33.12 H new ATOM 0 HB3 GLN A 32 25.202 1.986 -23.473 1.00 33.12 H new ATOM 0 HG2 GLN A 32 26.265 0.042 -22.693 1.00 54.22 H new ATOM 0 HG3 GLN A 32 25.216 0.513 -21.369 1.00 54.22 H new ATOM 0 HE21 GLN A 32 24.645 -1.246 -24.466 1.00 53.00 H new ATOM 0 HE22 GLN A 32 23.922 -2.673 -23.717 1.00 53.00 H new ATOM 531 N ASP A 33 24.287 3.535 -21.620 1.00 23.13 N ATOM 532 CA ASP A 33 24.501 4.934 -21.269 1.00 45.24 C ATOM 533 C ASP A 33 25.682 5.513 -22.042 1.00 43.35 C ATOM 534 O ASP A 33 26.834 5.152 -21.799 1.00 51.54 O ATOM 535 CB ASP A 33 24.742 5.074 -19.766 1.00 4.55 C ATOM 536 CG ASP A 33 23.504 4.761 -18.949 1.00 51.42 C ATOM 537 OD1 ASP A 33 22.409 4.669 -19.543 1.00 60.42 O ATOM 538 OD2 ASP A 33 23.630 4.608 -17.716 1.00 55.34 O ATOM 0 H ASP A 33 24.934 2.885 -21.174 1.00 23.13 H new ATOM 0 HA ASP A 33 23.604 5.492 -21.538 1.00 45.24 H new ATOM 0 HB2 ASP A 33 25.550 4.406 -19.467 1.00 4.55 H new ATOM 0 HB3 ASP A 33 25.071 6.090 -19.547 1.00 4.55 H new ATOM 543 N VAL A 34 25.388 6.413 -22.976 1.00 21.21 N ATOM 544 CA VAL A 34 26.425 7.042 -23.785 1.00 10.10 C ATOM 545 C VAL A 34 27.476 7.712 -22.907 1.00 52.42 C ATOM 546 O VAL A 34 28.635 7.847 -23.301 1.00 2.33 O ATOM 547 CB VAL A 34 25.830 8.089 -24.745 1.00 13.53 C ATOM 548 CG1 VAL A 34 25.128 9.191 -23.965 1.00 30.22 C ATOM 549 CG2 VAL A 34 26.914 8.668 -25.641 1.00 24.40 C ATOM 0 H VAL A 34 24.440 6.722 -23.191 1.00 21.21 H new ATOM 0 HA VAL A 34 26.895 6.251 -24.369 1.00 10.10 H new ATOM 0 HB VAL A 34 25.092 7.597 -25.378 1.00 13.53 H new ATOM 0 HG11 VAL A 34 24.714 9.922 -24.660 1.00 30.22 H new ATOM 0 HG12 VAL A 34 24.323 8.760 -23.370 1.00 30.22 H new ATOM 0 HG13 VAL A 34 25.843 9.682 -23.306 1.00 30.22 H new ATOM 0 HG21 VAL A 34 26.475 9.406 -26.313 1.00 24.40 H new ATOM 0 HG22 VAL A 34 27.677 9.145 -25.027 1.00 24.40 H new ATOM 0 HG23 VAL A 34 27.367 7.868 -26.227 1.00 24.40 H new ATOM 559 N LEU A 35 27.064 8.131 -21.716 1.00 33.24 N ATOM 560 CA LEU A 35 27.970 8.787 -20.780 1.00 10.42 C ATOM 561 C LEU A 35 29.060 7.828 -20.313 1.00 61.14 C ATOM 562 O LEU A 35 30.099 8.251 -19.804 1.00 53.41 O ATOM 563 CB LEU A 35 27.193 9.319 -19.574 1.00 74.13 C ATOM 564 CG LEU A 35 27.636 10.680 -19.037 1.00 52.21 C ATOM 565 CD1 LEU A 35 29.055 10.604 -18.496 1.00 10.20 C ATOM 566 CD2 LEU A 35 27.533 11.741 -20.123 1.00 1.30 C ATOM 0 H LEU A 35 26.108 8.028 -21.375 1.00 33.24 H new ATOM 0 HA LEU A 35 28.443 9.622 -21.297 1.00 10.42 H new ATOM 0 HB2 LEU A 35 26.139 9.384 -19.846 1.00 74.13 H new ATOM 0 HB3 LEU A 35 27.270 8.590 -18.767 1.00 74.13 H new ATOM 0 HG LEU A 35 26.972 10.960 -18.219 1.00 52.21 H new ATOM 0 HD11 LEU A 35 29.353 11.582 -18.118 1.00 10.20 H new ATOM 0 HD12 LEU A 35 29.098 9.874 -17.688 1.00 10.20 H new ATOM 0 HD13 LEU A 35 29.733 10.301 -19.294 1.00 10.20 H new ATOM 0 HD21 LEU A 35 27.852 12.703 -19.723 1.00 1.30 H new ATOM 0 HD22 LEU A 35 28.173 11.466 -20.962 1.00 1.30 H new ATOM 0 HD23 LEU A 35 26.500 11.814 -20.463 1.00 1.30 H new ATOM 578 N LEU A 36 28.818 6.534 -20.492 1.00 62.03 N ATOM 579 CA LEU A 36 29.780 5.513 -20.092 1.00 5.21 C ATOM 580 C LEU A 36 30.603 5.042 -21.287 1.00 32.42 C ATOM 581 O LEU A 36 31.129 3.929 -21.289 1.00 41.12 O ATOM 582 CB LEU A 36 29.058 4.325 -19.455 1.00 12.13 C ATOM 583 CG LEU A 36 28.596 4.517 -18.010 1.00 31.23 C ATOM 584 CD1 LEU A 36 27.482 5.550 -17.938 1.00 71.41 C ATOM 585 CD2 LEU A 36 28.137 3.193 -17.416 1.00 61.33 C ATOM 0 H LEU A 36 27.964 6.167 -20.912 1.00 62.03 H new ATOM 0 HA LEU A 36 30.456 5.954 -19.360 1.00 5.21 H new ATOM 0 HB2 LEU A 36 28.187 4.085 -20.065 1.00 12.13 H new ATOM 0 HB3 LEU A 36 29.721 3.460 -19.492 1.00 12.13 H new ATOM 0 HG LEU A 36 29.440 4.882 -17.425 1.00 31.23 H new ATOM 0 HD11 LEU A 36 27.166 5.673 -16.902 1.00 71.41 H new ATOM 0 HD12 LEU A 36 27.844 6.503 -18.323 1.00 71.41 H new ATOM 0 HD13 LEU A 36 26.636 5.215 -18.538 1.00 71.41 H new ATOM 0 HD21 LEU A 36 27.812 3.349 -16.387 1.00 61.33 H new ATOM 0 HD22 LEU A 36 27.307 2.799 -18.003 1.00 61.33 H new ATOM 0 HD23 LEU A 36 28.963 2.482 -17.432 1.00 61.33 H new ATOM 597 N GLN A 37 30.710 5.896 -22.299 1.00 41.11 N ATOM 598 CA GLN A 37 31.470 5.567 -23.499 1.00 61.41 C ATOM 599 C GLN A 37 32.838 6.240 -23.479 1.00 3.00 C ATOM 600 O GLN A 37 33.859 5.588 -23.257 1.00 11.24 O ATOM 601 CB GLN A 37 30.698 5.991 -24.750 1.00 21.43 C ATOM 602 CG GLN A 37 29.301 5.397 -24.833 1.00 63.41 C ATOM 603 CD GLN A 37 29.316 3.906 -25.109 1.00 45.14 C ATOM 604 OE1 GLN A 37 30.348 3.341 -25.473 1.00 24.24 O ATOM 605 NE2 GLN A 37 28.169 3.260 -24.938 1.00 51.33 N ATOM 0 H GLN A 37 30.280 6.821 -22.312 1.00 41.11 H new ATOM 0 HA GLN A 37 31.617 4.487 -23.520 1.00 61.41 H new ATOM 0 HB2 GLN A 37 30.623 7.078 -24.770 1.00 21.43 H new ATOM 0 HB3 GLN A 37 31.263 5.694 -25.634 1.00 21.43 H new ATOM 0 HG2 GLN A 37 28.775 5.584 -23.897 1.00 63.41 H new ATOM 0 HG3 GLN A 37 28.741 5.903 -25.620 1.00 63.41 H new ATOM 0 HE21 GLN A 37 27.338 3.768 -24.635 1.00 51.33 H new ATOM 0 HE22 GLN A 37 28.119 2.256 -25.109 1.00 51.33 H new ATOM 614 N TYR A 38 32.852 7.547 -23.713 1.00 11.51 N ATOM 615 CA TYR A 38 34.095 8.309 -23.725 1.00 23.15 C ATOM 616 C TYR A 38 33.822 9.801 -23.565 1.00 13.30 C ATOM 617 O TYR A 38 32.745 10.300 -23.893 1.00 40.05 O ATOM 618 CB TYR A 38 34.861 8.056 -25.024 1.00 71.42 C ATOM 619 CG TYR A 38 35.778 6.855 -24.963 1.00 32.23 C ATOM 620 CD1 TYR A 38 36.678 6.696 -23.917 1.00 2.24 C ATOM 621 CD2 TYR A 38 35.743 5.878 -25.951 1.00 13.25 C ATOM 622 CE1 TYR A 38 37.518 5.601 -23.857 1.00 1.11 C ATOM 623 CE2 TYR A 38 36.578 4.779 -25.898 1.00 71.02 C ATOM 624 CZ TYR A 38 37.464 4.645 -24.850 1.00 1.22 C ATOM 625 OH TYR A 38 38.298 3.552 -24.793 1.00 42.22 O ATOM 0 H TYR A 38 32.016 8.102 -23.897 1.00 11.51 H new ATOM 0 HA TYR A 38 34.702 7.977 -22.883 1.00 23.15 H new ATOM 0 HB2 TYR A 38 34.147 7.916 -25.836 1.00 71.42 H new ATOM 0 HB3 TYR A 38 35.450 8.940 -25.267 1.00 71.42 H new ATOM 0 HD1 TYR A 38 36.722 7.442 -23.137 1.00 2.24 H new ATOM 0 HD2 TYR A 38 35.051 5.980 -26.774 1.00 13.25 H new ATOM 0 HE1 TYR A 38 38.213 5.494 -23.037 1.00 1.11 H new ATOM 0 HE2 TYR A 38 36.537 4.028 -26.673 1.00 71.02 H new ATOM 0 HH TYR A 38 38.133 2.974 -25.567 1.00 42.22 H new ATOM 635 N PRO A 39 34.820 10.533 -23.049 1.00 23.15 N ATOM 636 CA PRO A 39 34.713 11.979 -22.834 1.00 42.11 C ATOM 637 C PRO A 39 34.688 12.759 -24.144 1.00 43.11 C ATOM 638 O PRO A 39 35.682 13.374 -24.529 1.00 61.24 O ATOM 639 CB PRO A 39 35.976 12.314 -22.036 1.00 61.14 C ATOM 640 CG PRO A 39 36.948 11.245 -22.400 1.00 21.02 C ATOM 641 CD PRO A 39 36.131 10.005 -22.635 1.00 20.44 C ATOM 0 HA PRO A 39 33.787 12.248 -22.325 1.00 42.11 H new ATOM 0 HB2 PRO A 39 36.358 13.301 -22.295 1.00 61.14 H new ATOM 0 HB3 PRO A 39 35.777 12.320 -20.964 1.00 61.14 H new ATOM 0 HG2 PRO A 39 37.511 11.517 -23.293 1.00 21.02 H new ATOM 0 HG3 PRO A 39 37.673 11.089 -21.602 1.00 21.02 H new ATOM 0 HD2 PRO A 39 36.572 9.374 -23.407 1.00 20.44 H new ATOM 0 HD3 PRO A 39 36.053 9.398 -21.733 1.00 20.44 H new ATOM 649 N GLU A 40 33.546 12.729 -24.824 1.00 0.54 N ATOM 650 CA GLU A 40 33.393 13.434 -26.091 1.00 44.20 C ATOM 651 C GLU A 40 31.931 13.460 -26.526 1.00 41.25 C ATOM 652 O GLU A 40 31.451 14.455 -27.071 1.00 42.40 O ATOM 653 CB GLU A 40 34.248 12.772 -27.174 1.00 52.42 C ATOM 654 CG GLU A 40 34.136 11.257 -27.196 1.00 50.23 C ATOM 655 CD GLU A 40 35.487 10.572 -27.138 1.00 63.41 C ATOM 656 OE1 GLU A 40 36.328 10.986 -26.314 1.00 24.14 O ATOM 657 OE2 GLU A 40 35.703 9.620 -27.918 1.00 30.13 O ATOM 0 H GLU A 40 32.714 12.224 -24.519 1.00 0.54 H new ATOM 0 HA GLU A 40 33.730 14.461 -25.950 1.00 44.20 H new ATOM 0 HB2 GLU A 40 33.954 13.164 -28.148 1.00 52.42 H new ATOM 0 HB3 GLU A 40 35.291 13.049 -27.021 1.00 52.42 H new ATOM 0 HG2 GLU A 40 33.530 10.929 -26.352 1.00 50.23 H new ATOM 0 HG3 GLU A 40 33.615 10.948 -28.102 1.00 50.23 H new ATOM 664 N LEU A 41 31.228 12.360 -26.283 1.00 61.44 N ATOM 665 CA LEU A 41 29.820 12.255 -26.650 1.00 61.53 C ATOM 666 C LEU A 41 28.923 12.487 -25.439 1.00 31.01 C ATOM 667 O LEU A 41 27.712 12.276 -25.501 1.00 40.44 O ATOM 668 CB LEU A 41 29.532 10.880 -27.256 1.00 70.14 C ATOM 669 CG LEU A 41 30.082 9.678 -26.487 1.00 10.40 C ATOM 670 CD1 LEU A 41 31.539 9.435 -26.848 1.00 2.13 C ATOM 671 CD2 LEU A 41 29.930 9.890 -24.988 1.00 10.23 C ATOM 0 H LEU A 41 31.610 11.528 -25.833 1.00 61.44 H new ATOM 0 HA LEU A 41 29.605 13.025 -27.391 1.00 61.53 H new ATOM 0 HB2 LEU A 41 28.452 10.764 -27.347 1.00 70.14 H new ATOM 0 HB3 LEU A 41 29.941 10.858 -28.266 1.00 70.14 H new ATOM 0 HG LEU A 41 29.507 8.796 -26.769 1.00 10.40 H new ATOM 0 HD11 LEU A 41 31.913 8.576 -26.291 1.00 2.13 H new ATOM 0 HD12 LEU A 41 31.621 9.238 -27.917 1.00 2.13 H new ATOM 0 HD13 LEU A 41 32.128 10.316 -26.595 1.00 2.13 H new ATOM 0 HD21 LEU A 41 30.326 9.025 -24.456 1.00 10.23 H new ATOM 0 HD22 LEU A 41 30.479 10.783 -24.689 1.00 10.23 H new ATOM 0 HD23 LEU A 41 28.875 10.014 -24.743 1.00 10.23 H new ATOM 683 N ALA A 42 29.525 12.924 -24.338 1.00 43.40 N ATOM 684 CA ALA A 42 28.780 13.190 -23.114 1.00 24.24 C ATOM 685 C ALA A 42 27.603 14.121 -23.379 1.00 14.44 C ATOM 686 O ALA A 42 26.589 14.068 -22.683 1.00 71.42 O ATOM 687 CB ALA A 42 29.698 13.784 -22.056 1.00 3.23 C ATOM 0 H ALA A 42 30.527 13.101 -24.269 1.00 43.40 H new ATOM 0 HA ALA A 42 28.384 12.243 -22.746 1.00 24.24 H new ATOM 0 HB1 ALA A 42 29.128 13.978 -21.147 1.00 3.23 H new ATOM 0 HB2 ALA A 42 30.503 13.082 -21.837 1.00 3.23 H new ATOM 0 HB3 ALA A 42 30.121 14.718 -22.425 1.00 3.23 H new ATOM 693 N GLU A 43 27.744 14.975 -24.388 1.00 24.01 N ATOM 694 CA GLU A 43 26.691 15.919 -24.742 1.00 45.35 C ATOM 695 C GLU A 43 25.465 15.189 -25.283 1.00 43.30 C ATOM 696 O GLU A 43 24.331 15.616 -25.069 1.00 12.50 O ATOM 697 CB GLU A 43 27.202 16.920 -25.781 1.00 51.13 C ATOM 698 CG GLU A 43 28.429 17.694 -25.329 1.00 52.13 C ATOM 699 CD GLU A 43 29.019 18.549 -26.434 1.00 13.21 C ATOM 700 OE1 GLU A 43 28.935 18.138 -27.610 1.00 41.13 O ATOM 701 OE2 GLU A 43 29.564 19.629 -26.122 1.00 71.45 O ATOM 0 H GLU A 43 28.577 15.032 -24.974 1.00 24.01 H new ATOM 0 HA GLU A 43 26.402 16.458 -23.839 1.00 45.35 H new ATOM 0 HB2 GLU A 43 27.438 16.386 -26.702 1.00 51.13 H new ATOM 0 HB3 GLU A 43 26.405 17.625 -26.017 1.00 51.13 H new ATOM 0 HG2 GLU A 43 28.162 18.331 -24.485 1.00 52.13 H new ATOM 0 HG3 GLU A 43 29.185 16.994 -24.973 1.00 52.13 H new ATOM 708 N SER A 44 25.703 14.086 -25.985 1.00 54.03 N ATOM 709 CA SER A 44 24.619 13.298 -26.561 1.00 13.32 C ATOM 710 C SER A 44 23.695 12.766 -25.469 1.00 50.34 C ATOM 711 O SER A 44 22.505 12.549 -25.699 1.00 10.20 O ATOM 712 CB SER A 44 25.184 12.135 -27.378 1.00 53.13 C ATOM 713 OG SER A 44 25.167 10.931 -26.631 1.00 51.12 O ATOM 0 H SER A 44 26.636 13.718 -26.169 1.00 54.03 H new ATOM 0 HA SER A 44 24.040 13.947 -27.218 1.00 13.32 H new ATOM 0 HB2 SER A 44 24.600 12.009 -28.290 1.00 53.13 H new ATOM 0 HB3 SER A 44 26.205 12.363 -27.683 1.00 53.13 H new ATOM 0 HG SER A 44 24.870 10.194 -27.205 1.00 51.12 H new ATOM 719 N TYR A 45 24.252 12.558 -24.281 1.00 51.55 N ATOM 720 CA TYR A 45 23.480 12.050 -23.154 1.00 60.50 C ATOM 721 C TYR A 45 22.209 12.868 -22.951 1.00 34.25 C ATOM 722 O TYR A 45 21.100 12.331 -22.969 1.00 41.45 O ATOM 723 CB TYR A 45 24.324 12.073 -21.879 1.00 24.12 C ATOM 724 CG TYR A 45 23.586 11.580 -20.655 1.00 2.34 C ATOM 725 CD1 TYR A 45 22.832 12.450 -19.877 1.00 52.11 C ATOM 726 CD2 TYR A 45 23.643 10.244 -20.276 1.00 54.52 C ATOM 727 CE1 TYR A 45 22.156 12.004 -18.757 1.00 45.45 C ATOM 728 CE2 TYR A 45 22.969 9.790 -19.159 1.00 22.41 C ATOM 729 CZ TYR A 45 22.228 10.673 -18.403 1.00 1.44 C ATOM 730 OH TYR A 45 21.556 10.225 -17.289 1.00 14.22 O ATOM 0 H TYR A 45 25.235 12.733 -24.074 1.00 51.55 H new ATOM 0 HA TYR A 45 23.196 11.021 -23.375 1.00 60.50 H new ATOM 0 HB2 TYR A 45 25.212 11.458 -22.030 1.00 24.12 H new ATOM 0 HB3 TYR A 45 24.668 13.092 -21.700 1.00 24.12 H new ATOM 0 HD1 TYR A 45 22.773 13.493 -20.152 1.00 52.11 H new ATOM 0 HD2 TYR A 45 24.224 9.549 -20.865 1.00 54.52 H new ATOM 0 HE1 TYR A 45 21.575 12.694 -18.163 1.00 45.45 H new ATOM 0 HE2 TYR A 45 23.022 8.748 -18.879 1.00 22.41 H new ATOM 0 HH TYR A 45 21.709 9.263 -17.179 1.00 14.22 H new ATOM 740 N THR A 46 22.377 14.172 -22.756 1.00 52.21 N ATOM 741 CA THR A 46 21.245 15.066 -22.548 1.00 52.35 C ATOM 742 C THR A 46 20.401 15.187 -23.812 1.00 53.31 C ATOM 743 O THR A 46 19.183 15.355 -23.744 1.00 51.13 O ATOM 744 CB THR A 46 21.709 16.471 -22.119 1.00 25.42 C ATOM 745 OG1 THR A 46 20.593 17.366 -22.082 1.00 12.22 O ATOM 746 CG2 THR A 46 22.765 17.007 -23.074 1.00 10.21 C ATOM 0 H THR A 46 23.287 14.633 -22.738 1.00 52.21 H new ATOM 0 HA THR A 46 20.642 14.631 -21.751 1.00 52.35 H new ATOM 0 HB THR A 46 22.147 16.397 -21.123 1.00 25.42 H new ATOM 0 HG1 THR A 46 20.897 18.256 -21.807 1.00 12.22 H new ATOM 0 HG21 THR A 46 23.077 18.000 -22.751 1.00 10.21 H new ATOM 0 HG22 THR A 46 23.626 16.339 -23.077 1.00 10.21 H new ATOM 0 HG23 THR A 46 22.349 17.067 -24.080 1.00 10.21 H new ATOM 754 N LYS A 47 21.055 15.100 -24.965 1.00 52.44 N ATOM 755 CA LYS A 47 20.365 15.198 -26.246 1.00 53.01 C ATOM 756 C LYS A 47 19.248 14.163 -26.343 1.00 2.32 C ATOM 757 O LYS A 47 18.259 14.367 -27.046 1.00 73.14 O ATOM 758 CB LYS A 47 21.354 15.006 -27.398 1.00 30.52 C ATOM 759 CG LYS A 47 21.298 16.111 -28.438 1.00 65.54 C ATOM 760 CD LYS A 47 19.935 16.180 -29.106 1.00 22.11 C ATOM 761 CE LYS A 47 19.702 17.535 -29.757 1.00 72.51 C ATOM 762 NZ LYS A 47 20.329 17.617 -31.105 1.00 41.32 N ATOM 0 H LYS A 47 22.063 14.962 -25.039 1.00 52.44 H new ATOM 0 HA LYS A 47 19.923 16.192 -26.317 1.00 53.01 H new ATOM 0 HB2 LYS A 47 22.364 14.951 -26.993 1.00 30.52 H new ATOM 0 HB3 LYS A 47 21.152 14.051 -27.883 1.00 30.52 H new ATOM 0 HG2 LYS A 47 21.522 17.068 -27.966 1.00 65.54 H new ATOM 0 HG3 LYS A 47 22.066 15.941 -29.193 1.00 65.54 H new ATOM 0 HD2 LYS A 47 19.857 15.395 -29.859 1.00 22.11 H new ATOM 0 HD3 LYS A 47 19.156 15.991 -28.367 1.00 22.11 H new ATOM 0 HE2 LYS A 47 18.631 17.717 -29.843 1.00 72.51 H new ATOM 0 HE3 LYS A 47 20.109 18.319 -29.119 1.00 72.51 H new ATOM 0 HZ1 LYS A 47 20.148 18.555 -31.516 1.00 41.32 H new ATOM 0 HZ2 LYS A 47 21.355 17.468 -31.020 1.00 41.32 H new ATOM 0 HZ3 LYS A 47 19.923 16.885 -31.722 1.00 41.32 H new ATOM 776 N VAL A 48 19.413 13.053 -25.630 1.00 52.24 N ATOM 777 CA VAL A 48 18.417 11.988 -25.634 1.00 25.20 C ATOM 778 C VAL A 48 17.834 11.776 -24.241 1.00 62.15 C ATOM 779 O VAL A 48 17.384 10.680 -23.906 1.00 61.41 O ATOM 780 CB VAL A 48 19.018 10.661 -26.135 1.00 32.45 C ATOM 781 CG1 VAL A 48 19.932 10.056 -25.080 1.00 1.43 C ATOM 782 CG2 VAL A 48 17.913 9.687 -26.515 1.00 60.34 C ATOM 0 H VAL A 48 20.226 12.868 -25.043 1.00 52.24 H new ATOM 0 HA VAL A 48 17.623 12.298 -26.313 1.00 25.20 H new ATOM 0 HB VAL A 48 19.614 10.865 -27.024 1.00 32.45 H new ATOM 0 HG11 VAL A 48 20.347 9.119 -25.452 1.00 1.43 H new ATOM 0 HG12 VAL A 48 20.743 10.750 -24.860 1.00 1.43 H new ATOM 0 HG13 VAL A 48 19.362 9.864 -24.171 1.00 1.43 H new ATOM 0 HG21 VAL A 48 18.355 8.755 -26.867 1.00 60.34 H new ATOM 0 HG22 VAL A 48 17.289 9.487 -25.644 1.00 60.34 H new ATOM 0 HG23 VAL A 48 17.302 10.121 -27.307 1.00 60.34 H new ATOM 792 N CYS A 49 17.845 12.831 -23.435 1.00 52.30 N ATOM 793 CA CYS A 49 17.317 12.761 -22.077 1.00 54.31 C ATOM 794 C CYS A 49 18.131 11.793 -21.226 1.00 65.31 C ATOM 795 O CYS A 49 18.885 10.963 -21.735 1.00 42.25 O ATOM 796 CB CYS A 49 15.850 12.329 -22.100 1.00 13.42 C ATOM 797 SG CYS A 49 14.677 13.688 -21.882 1.00 53.13 S ATOM 0 H CYS A 49 18.214 13.745 -23.698 1.00 52.30 H new ATOM 0 HA CYS A 49 17.389 13.754 -21.634 1.00 54.31 H new ATOM 0 HB2 CYS A 49 15.643 11.833 -23.048 1.00 13.42 H new ATOM 0 HB3 CYS A 49 15.687 11.593 -21.313 1.00 13.42 H new ATOM 0 HG CYS A 49 14.887 14.262 -20.735 1.00 53.13 H new ATOM 803 N PRO A 50 17.979 11.900 -19.898 1.00 24.22 N ATOM 804 CA PRO A 50 18.694 11.042 -18.948 1.00 11.24 C ATOM 805 C PRO A 50 18.202 9.599 -18.986 1.00 44.20 C ATOM 806 O PRO A 50 17.401 9.184 -18.150 1.00 52.42 O ATOM 807 CB PRO A 50 18.380 11.678 -17.591 1.00 24.12 C ATOM 808 CG PRO A 50 17.087 12.389 -17.795 1.00 61.43 C ATOM 809 CD PRO A 50 17.098 12.866 -19.221 1.00 51.02 C ATOM 0 HA PRO A 50 19.759 10.985 -19.172 1.00 11.24 H new ATOM 0 HB2 PRO A 50 18.297 10.923 -16.810 1.00 24.12 H new ATOM 0 HB3 PRO A 50 19.167 12.368 -17.286 1.00 24.12 H new ATOM 0 HG2 PRO A 50 16.243 11.724 -17.612 1.00 61.43 H new ATOM 0 HG3 PRO A 50 16.989 13.226 -17.104 1.00 61.43 H new ATOM 0 HD2 PRO A 50 16.097 12.867 -19.652 1.00 51.02 H new ATOM 0 HD3 PRO A 50 17.481 13.883 -19.301 1.00 51.02 H new ATOM 817 N ASN A 51 18.689 8.839 -19.962 1.00 11.03 N ATOM 818 CA ASN A 51 18.298 7.442 -20.109 1.00 25.43 C ATOM 819 C ASN A 51 16.816 7.324 -20.451 1.00 23.00 C ATOM 820 O ASN A 51 15.954 7.499 -19.590 1.00 2.42 O ATOM 821 CB ASN A 51 18.599 6.668 -18.823 1.00 44.42 C ATOM 822 CG ASN A 51 19.984 6.966 -18.280 1.00 15.41 C ATOM 823 OD1 ASN A 51 20.159 7.181 -17.080 1.00 53.13 O ATOM 824 ND2 ASN A 51 20.975 6.981 -19.163 1.00 61.00 N ATOM 0 H ASN A 51 19.354 9.167 -20.662 1.00 11.03 H new ATOM 0 HA ASN A 51 18.877 7.014 -20.927 1.00 25.43 H new ATOM 0 HB2 ASN A 51 17.854 6.919 -18.068 1.00 44.42 H new ATOM 0 HB3 ASN A 51 18.510 5.599 -19.016 1.00 44.42 H new ATOM 0 HD21 ASN A 51 21.928 7.176 -18.857 1.00 61.00 H new ATOM 0 HD22 ASN A 51 20.783 6.797 -20.148 1.00 61.00 H new ATOM 831 N ARG A 52 16.528 7.025 -21.714 1.00 1.55 N ATOM 832 CA ARG A 52 15.151 6.885 -22.170 1.00 73.10 C ATOM 833 C ARG A 52 14.978 5.613 -22.995 1.00 24.33 C ATOM 834 O ARG A 52 14.202 5.581 -23.950 1.00 34.30 O ATOM 835 CB ARG A 52 14.739 8.103 -22.999 1.00 70.33 C ATOM 836 CG ARG A 52 13.234 8.299 -23.087 1.00 44.40 C ATOM 837 CD ARG A 52 12.883 9.658 -23.673 1.00 4.24 C ATOM 838 NE ARG A 52 13.367 9.805 -25.043 1.00 10.22 N ATOM 839 CZ ARG A 52 13.521 10.979 -25.646 1.00 24.33 C ATOM 840 NH1 ARG A 52 13.232 12.101 -25.002 1.00 41.44 N ATOM 841 NH2 ARG A 52 13.967 11.031 -26.895 1.00 34.14 N ATOM 0 H ARG A 52 17.230 6.875 -22.439 1.00 1.55 H new ATOM 0 HA ARG A 52 14.509 6.818 -21.292 1.00 73.10 H new ATOM 0 HB2 ARG A 52 15.188 8.996 -22.565 1.00 70.33 H new ATOM 0 HB3 ARG A 52 15.143 8.000 -24.006 1.00 70.33 H new ATOM 0 HG2 ARG A 52 12.799 7.512 -23.703 1.00 44.40 H new ATOM 0 HG3 ARG A 52 12.795 8.205 -22.094 1.00 44.40 H new ATOM 0 HD2 ARG A 52 11.801 9.792 -23.654 1.00 4.24 H new ATOM 0 HD3 ARG A 52 13.313 10.443 -23.051 1.00 4.24 H new ATOM 0 HE ARG A 52 13.600 8.960 -25.565 1.00 10.22 H new ATOM 0 HH11 ARG A 52 12.891 12.064 -24.042 1.00 41.44 H new ATOM 0 HH12 ARG A 52 13.351 13.001 -25.467 1.00 41.44 H new ATOM 0 HH21 ARG A 52 14.192 10.169 -27.393 1.00 34.14 H new ATOM 0 HH22 ARG A 52 14.085 11.933 -27.357 1.00 34.14 H new ATOM 855 N CYS A 53 15.708 4.568 -22.620 1.00 35.43 N ATOM 856 CA CYS A 53 15.637 3.293 -23.325 1.00 54.03 C ATOM 857 C CYS A 53 14.863 2.262 -22.510 1.00 11.34 C ATOM 858 O CYS A 53 13.709 1.957 -22.811 1.00 12.13 O ATOM 859 CB CYS A 53 17.043 2.773 -23.624 1.00 64.13 C ATOM 860 SG CYS A 53 18.019 3.856 -24.694 1.00 51.01 S ATOM 0 H CYS A 53 16.356 4.579 -21.832 1.00 35.43 H new ATOM 0 HA CYS A 53 15.110 3.455 -24.265 1.00 54.03 H new ATOM 0 HB2 CYS A 53 17.575 2.634 -22.683 1.00 64.13 H new ATOM 0 HB3 CYS A 53 16.964 1.792 -24.093 1.00 64.13 H new ATOM 0 HG CYS A 53 19.264 3.483 -24.669 1.00 51.01 H new ATOM 866 N ASP A 54 15.506 1.729 -21.477 1.00 64.44 N ATOM 867 CA ASP A 54 14.879 0.731 -20.618 1.00 42.21 C ATOM 868 C ASP A 54 15.840 0.275 -19.525 1.00 32.35 C ATOM 869 O ASP A 54 15.709 0.668 -18.365 1.00 4.43 O ATOM 870 CB ASP A 54 14.421 -0.471 -21.446 1.00 10.51 C ATOM 871 CG ASP A 54 12.923 -0.476 -21.678 1.00 33.44 C ATOM 872 OD1 ASP A 54 12.169 -0.412 -20.684 1.00 51.04 O ATOM 873 OD2 ASP A 54 12.504 -0.546 -22.852 1.00 70.43 O ATOM 0 H ASP A 54 16.461 1.971 -21.214 1.00 64.44 H new ATOM 0 HA ASP A 54 14.010 1.189 -20.145 1.00 42.21 H new ATOM 0 HB2 ASP A 54 14.935 -0.463 -22.407 1.00 10.51 H new ATOM 0 HB3 ASP A 54 14.710 -1.391 -20.937 1.00 10.51 H new ATOM 878 N LEU A 55 16.804 -0.558 -19.901 1.00 34.41 N ATOM 879 CA LEU A 55 17.786 -1.070 -18.952 1.00 65.10 C ATOM 880 C LEU A 55 18.715 0.043 -18.477 1.00 23.31 C ATOM 881 O LEU A 55 19.123 0.071 -17.316 1.00 54.31 O ATOM 882 CB LEU A 55 18.604 -2.194 -19.591 1.00 31.34 C ATOM 883 CG LEU A 55 19.254 -1.871 -20.936 1.00 55.25 C ATOM 884 CD1 LEU A 55 20.667 -2.429 -20.995 1.00 10.12 C ATOM 885 CD2 LEU A 55 18.413 -2.420 -22.080 1.00 65.41 C ATOM 0 H LEU A 55 16.927 -0.893 -20.857 1.00 34.41 H new ATOM 0 HA LEU A 55 17.250 -1.464 -18.089 1.00 65.10 H new ATOM 0 HB2 LEU A 55 19.388 -2.488 -18.893 1.00 31.34 H new ATOM 0 HB3 LEU A 55 17.954 -3.059 -19.723 1.00 31.34 H new ATOM 0 HG LEU A 55 19.310 -0.787 -21.040 1.00 55.25 H new ATOM 0 HD11 LEU A 55 21.113 -2.189 -21.960 1.00 10.12 H new ATOM 0 HD12 LEU A 55 21.266 -1.988 -20.198 1.00 10.12 H new ATOM 0 HD13 LEU A 55 20.636 -3.511 -20.869 1.00 10.12 H new ATOM 0 HD21 LEU A 55 18.891 -2.181 -23.030 1.00 65.41 H new ATOM 0 HD22 LEU A 55 18.325 -3.502 -21.980 1.00 65.41 H new ATOM 0 HD23 LEU A 55 17.420 -1.971 -22.050 1.00 65.41 H new ATOM 897 N ALA A 56 19.044 0.958 -19.382 1.00 44.51 N ATOM 898 CA ALA A 56 19.921 2.076 -19.054 1.00 64.34 C ATOM 899 C ALA A 56 19.254 3.026 -18.067 1.00 15.52 C ATOM 900 O ALA A 56 19.924 3.677 -17.265 1.00 10.35 O ATOM 901 CB ALA A 56 20.322 2.821 -20.319 1.00 54.01 C ATOM 0 H ALA A 56 18.717 0.948 -20.348 1.00 44.51 H new ATOM 0 HA ALA A 56 20.818 1.675 -18.582 1.00 64.34 H new ATOM 0 HB1 ALA A 56 20.977 3.653 -20.059 1.00 54.01 H new ATOM 0 HB2 ALA A 56 20.848 2.142 -20.990 1.00 54.01 H new ATOM 0 HB3 ALA A 56 19.430 3.203 -20.815 1.00 54.01 H new ATOM 907 N THR A 57 17.928 3.103 -18.130 1.00 52.33 N ATOM 908 CA THR A 57 17.169 3.976 -17.243 1.00 64.01 C ATOM 909 C THR A 57 16.999 3.346 -15.866 1.00 23.15 C ATOM 910 O THR A 57 17.143 4.017 -14.844 1.00 34.42 O ATOM 911 CB THR A 57 15.779 4.296 -17.824 1.00 0.22 C ATOM 912 OG1 THR A 57 15.916 4.954 -19.088 1.00 71.14 O ATOM 913 CG2 THR A 57 14.985 5.177 -16.872 1.00 12.45 C ATOM 0 H THR A 57 17.357 2.571 -18.787 1.00 52.33 H new ATOM 0 HA THR A 57 17.737 4.902 -17.149 1.00 64.01 H new ATOM 0 HB THR A 57 15.241 3.358 -17.960 1.00 0.22 H new ATOM 0 HG1 THR A 57 15.212 4.645 -19.696 1.00 71.14 H new ATOM 0 HG21 THR A 57 14.007 5.390 -17.303 1.00 12.45 H new ATOM 0 HG22 THR A 57 14.857 4.661 -15.920 1.00 12.45 H new ATOM 0 HG23 THR A 57 15.521 6.112 -16.709 1.00 12.45 H new ATOM 921 N ALA A 58 16.694 2.053 -15.845 1.00 74.31 N ATOM 922 CA ALA A 58 16.507 1.332 -14.592 1.00 71.53 C ATOM 923 C ALA A 58 17.836 1.125 -13.874 1.00 42.31 C ATOM 924 O ALA A 58 17.950 1.378 -12.675 1.00 65.02 O ATOM 925 CB ALA A 58 15.831 -0.007 -14.849 1.00 54.14 C ATOM 0 H ALA A 58 16.571 1.483 -16.682 1.00 74.31 H new ATOM 0 HA ALA A 58 15.865 1.934 -13.948 1.00 71.53 H new ATOM 0 HB1 ALA A 58 15.698 -0.535 -13.905 1.00 54.14 H new ATOM 0 HB2 ALA A 58 14.858 0.159 -15.312 1.00 54.14 H new ATOM 0 HB3 ALA A 58 16.452 -0.606 -15.515 1.00 54.14 H new ATOM 931 N ALA A 59 18.838 0.664 -14.615 1.00 45.22 N ATOM 932 CA ALA A 59 20.160 0.425 -14.049 1.00 2.41 C ATOM 933 C ALA A 59 20.772 1.718 -13.518 1.00 73.52 C ATOM 934 O ALA A 59 21.453 1.718 -12.493 1.00 33.25 O ATOM 935 CB ALA A 59 21.074 -0.205 -15.089 1.00 41.04 C ATOM 0 H ALA A 59 18.760 0.449 -15.609 1.00 45.22 H new ATOM 0 HA ALA A 59 20.050 -0.265 -13.212 1.00 2.41 H new ATOM 0 HB1 ALA A 59 22.058 -0.378 -14.652 1.00 41.04 H new ATOM 0 HB2 ALA A 59 20.651 -1.154 -15.418 1.00 41.04 H new ATOM 0 HB3 ALA A 59 21.169 0.465 -15.943 1.00 41.04 H new ATOM 941 N ASP A 60 20.525 2.816 -14.223 1.00 42.21 N ATOM 942 CA ASP A 60 21.052 4.116 -13.822 1.00 74.24 C ATOM 943 C ASP A 60 20.380 4.603 -12.542 1.00 52.14 C ATOM 944 O ASP A 60 21.039 5.131 -11.646 1.00 74.41 O ATOM 945 CB ASP A 60 20.849 5.139 -14.941 1.00 14.00 C ATOM 946 CG ASP A 60 21.126 6.558 -14.485 1.00 13.01 C ATOM 947 OD1 ASP A 60 22.306 6.965 -14.496 1.00 44.42 O ATOM 948 OD2 ASP A 60 20.162 7.262 -14.117 1.00 72.55 O ATOM 0 H ASP A 60 19.964 2.833 -15.074 1.00 42.21 H new ATOM 0 HA ASP A 60 22.119 4.005 -13.631 1.00 74.24 H new ATOM 0 HB2 ASP A 60 21.505 4.894 -15.776 1.00 14.00 H new ATOM 0 HB3 ASP A 60 19.825 5.072 -15.309 1.00 14.00 H new ATOM 953 N ARG A 61 19.065 4.424 -12.465 1.00 23.42 N ATOM 954 CA ARG A 61 18.304 4.847 -11.296 1.00 1.03 C ATOM 955 C ARG A 61 18.907 4.273 -10.017 1.00 62.11 C ATOM 956 O ARG A 61 19.016 4.965 -9.005 1.00 74.32 O ATOM 957 CB ARG A 61 16.844 4.409 -11.425 1.00 61.22 C ATOM 958 CG ARG A 61 15.873 5.566 -11.592 1.00 2.34 C ATOM 959 CD ARG A 61 16.235 6.429 -12.790 1.00 44.22 C ATOM 960 NE ARG A 61 16.992 7.616 -12.401 1.00 44.14 N ATOM 961 CZ ARG A 61 16.438 8.700 -11.870 1.00 21.24 C ATOM 962 NH1 ARG A 61 15.129 8.746 -11.664 1.00 61.10 N ATOM 963 NH2 ARG A 61 17.194 9.740 -11.542 1.00 13.12 N ATOM 0 H ARG A 61 18.505 3.989 -13.198 1.00 23.42 H new ATOM 0 HA ARG A 61 18.346 5.935 -11.241 1.00 1.03 H new ATOM 0 HB2 ARG A 61 16.749 3.740 -12.280 1.00 61.22 H new ATOM 0 HB3 ARG A 61 16.566 3.837 -10.540 1.00 61.22 H new ATOM 0 HG2 ARG A 61 14.861 5.179 -11.714 1.00 2.34 H new ATOM 0 HG3 ARG A 61 15.874 6.176 -10.689 1.00 2.34 H new ATOM 0 HD2 ARG A 61 16.821 5.841 -13.497 1.00 44.22 H new ATOM 0 HD3 ARG A 61 15.324 6.733 -13.306 1.00 44.22 H new ATOM 0 HE ARG A 61 18.002 7.612 -12.545 1.00 44.14 H new ATOM 0 HH11 ARG A 61 14.545 7.948 -11.913 1.00 61.10 H new ATOM 0 HH12 ARG A 61 14.706 9.580 -11.256 1.00 61.10 H new ATOM 0 HH21 ARG A 61 18.202 9.707 -11.698 1.00 13.12 H new ATOM 0 HH22 ARG A 61 16.768 10.572 -11.134 1.00 13.12 H new ATOM 977 N ALA A 62 19.297 3.004 -10.071 1.00 65.41 N ATOM 978 CA ALA A 62 19.891 2.337 -8.919 1.00 13.15 C ATOM 979 C ALA A 62 21.387 2.618 -8.832 1.00 11.33 C ATOM 980 O ALA A 62 21.933 2.795 -7.743 1.00 32.50 O ATOM 981 CB ALA A 62 19.636 0.839 -8.987 1.00 24.52 C ATOM 0 H ALA A 62 19.212 2.417 -10.901 1.00 65.41 H new ATOM 0 HA ALA A 62 19.421 2.734 -8.019 1.00 13.15 H new ATOM 0 HB1 ALA A 62 20.085 0.354 -8.120 1.00 24.52 H new ATOM 0 HB2 ALA A 62 18.562 0.653 -8.991 1.00 24.52 H new ATOM 0 HB3 ALA A 62 20.078 0.436 -9.898 1.00 24.52 H new ATOM 987 N ALA A 63 22.045 2.658 -9.986 1.00 13.12 N ATOM 988 CA ALA A 63 23.478 2.919 -10.040 1.00 12.23 C ATOM 989 C ALA A 63 23.818 4.253 -9.383 1.00 31.30 C ATOM 990 O ALA A 63 24.835 4.380 -8.701 1.00 63.52 O ATOM 991 CB ALA A 63 23.964 2.899 -11.481 1.00 50.33 C ATOM 0 H ALA A 63 21.608 2.513 -10.896 1.00 13.12 H new ATOM 0 HA ALA A 63 23.987 2.131 -9.486 1.00 12.23 H new ATOM 0 HB1 ALA A 63 25.036 3.095 -11.506 1.00 50.33 H new ATOM 0 HB2 ALA A 63 23.764 1.921 -11.919 1.00 50.33 H new ATOM 0 HB3 ALA A 63 23.441 3.666 -12.052 1.00 50.33 H new ATOM 997 N LYS A 64 22.961 5.246 -9.593 1.00 33.00 N ATOM 998 CA LYS A 64 23.169 6.571 -9.021 1.00 63.03 C ATOM 999 C LYS A 64 23.225 6.504 -7.498 1.00 73.14 C ATOM 1000 O LYS A 64 23.733 7.414 -6.845 1.00 51.34 O ATOM 1001 CB LYS A 64 22.052 7.520 -9.460 1.00 52.02 C ATOM 1002 CG LYS A 64 22.175 7.978 -10.903 1.00 51.50 C ATOM 1003 CD LYS A 64 23.458 8.759 -11.133 1.00 1.25 C ATOM 1004 CE LYS A 64 23.550 9.965 -10.210 1.00 32.45 C ATOM 1005 NZ LYS A 64 22.374 10.867 -10.357 1.00 63.11 N ATOM 0 H LYS A 64 22.115 5.158 -10.156 1.00 33.00 H new ATOM 0 HA LYS A 64 24.124 6.951 -9.385 1.00 63.03 H new ATOM 0 HB2 LYS A 64 21.091 7.023 -9.326 1.00 52.02 H new ATOM 0 HB3 LYS A 64 22.053 8.394 -8.809 1.00 52.02 H new ATOM 0 HG2 LYS A 64 22.152 7.111 -11.564 1.00 51.50 H new ATOM 0 HG3 LYS A 64 21.318 8.600 -11.163 1.00 51.50 H new ATOM 0 HD2 LYS A 64 24.316 8.107 -10.969 1.00 1.25 H new ATOM 0 HD3 LYS A 64 23.503 9.089 -12.171 1.00 1.25 H new ATOM 0 HE2 LYS A 64 23.621 9.627 -9.176 1.00 32.45 H new ATOM 0 HE3 LYS A 64 24.463 10.520 -10.427 1.00 32.45 H new ATOM 0 HZ1 LYS A 64 22.551 11.754 -9.844 1.00 63.11 H new ATOM 0 HZ2 LYS A 64 22.220 11.075 -11.364 1.00 63.11 H new ATOM 0 HZ3 LYS A 64 21.529 10.403 -9.966 1.00 63.11 H new ATOM 1019 N GLY A 65 22.699 5.418 -6.939 1.00 5.14 N ATOM 1020 CA GLY A 65 22.701 5.252 -5.497 1.00 11.31 C ATOM 1021 C GLY A 65 21.304 5.088 -4.931 1.00 4.42 C ATOM 1022 O GLY A 65 21.078 5.318 -3.743 1.00 61.41 O ATOM 0 H GLY A 65 22.272 4.651 -7.458 1.00 5.14 H new ATOM 0 HA2 GLY A 65 23.300 4.380 -5.235 1.00 11.31 H new ATOM 0 HA3 GLY A 65 23.178 6.117 -5.035 1.00 11.31 H new ATOM 1026 N ALA A 66 20.365 4.692 -5.783 1.00 52.21 N ATOM 1027 CA ALA A 66 18.983 4.498 -5.361 1.00 23.22 C ATOM 1028 C ALA A 66 18.461 5.719 -4.612 1.00 2.04 C ATOM 1029 O ALA A 66 18.199 5.657 -3.410 1.00 44.11 O ATOM 1030 CB ALA A 66 18.867 3.254 -4.493 1.00 31.25 C ATOM 0 H ALA A 66 20.536 4.499 -6.770 1.00 52.21 H new ATOM 0 HA ALA A 66 18.372 4.364 -6.253 1.00 23.22 H new ATOM 0 HB1 ALA A 66 17.830 3.121 -4.185 1.00 31.25 H new ATOM 0 HB2 ALA A 66 19.191 2.382 -5.061 1.00 31.25 H new ATOM 0 HB3 ALA A 66 19.496 3.366 -3.610 1.00 31.25 H new ATOM 1036 N TYR A 67 18.313 6.828 -5.328 1.00 32.32 N ATOM 1037 CA TYR A 67 17.825 8.065 -4.729 1.00 71.45 C ATOM 1038 C TYR A 67 16.547 7.818 -3.933 1.00 24.40 C ATOM 1039 O TYR A 67 15.470 7.651 -4.502 1.00 54.13 O ATOM 1040 CB TYR A 67 17.569 9.114 -5.813 1.00 32.41 C ATOM 1041 CG TYR A 67 18.586 10.232 -5.825 1.00 13.51 C ATOM 1042 CD1 TYR A 67 19.840 10.052 -6.395 1.00 53.32 C ATOM 1043 CD2 TYR A 67 18.292 11.471 -5.267 1.00 32.55 C ATOM 1044 CE1 TYR A 67 20.772 11.072 -6.407 1.00 70.45 C ATOM 1045 CE2 TYR A 67 19.217 12.496 -5.276 1.00 4.13 C ATOM 1046 CZ TYR A 67 20.456 12.292 -5.847 1.00 21.42 C ATOM 1047 OH TYR A 67 21.382 13.310 -5.858 1.00 75.04 O ATOM 0 H TYR A 67 18.524 6.896 -6.324 1.00 32.32 H new ATOM 0 HA TYR A 67 18.590 8.435 -4.047 1.00 71.45 H new ATOM 0 HB2 TYR A 67 17.568 8.625 -6.787 1.00 32.41 H new ATOM 0 HB3 TYR A 67 16.576 9.539 -5.668 1.00 32.41 H new ATOM 0 HD1 TYR A 67 20.091 9.099 -6.836 1.00 53.32 H new ATOM 0 HD2 TYR A 67 17.323 11.635 -4.819 1.00 32.55 H new ATOM 0 HE1 TYR A 67 21.743 10.915 -6.853 1.00 70.45 H new ATOM 0 HE2 TYR A 67 18.972 13.452 -4.838 1.00 4.13 H new ATOM 0 HH TYR A 67 21.002 14.103 -5.425 1.00 75.04 H new ATOM 1057 N GLY A 68 16.677 7.796 -2.610 1.00 24.12 N ATOM 1058 CA GLY A 68 15.527 7.569 -1.755 1.00 12.41 C ATOM 1059 C GLY A 68 14.578 8.752 -1.734 1.00 64.40 C ATOM 1060 O GLY A 68 14.536 9.539 -2.679 1.00 42.34 O ATOM 0 H GLY A 68 17.559 7.931 -2.115 1.00 24.12 H new ATOM 0 HA2 GLY A 68 14.992 6.684 -2.098 1.00 12.41 H new ATOM 0 HA3 GLY A 68 15.867 7.362 -0.740 1.00 12.41 H new ATOM 1064 N TYR A 69 13.814 8.876 -0.655 1.00 21.33 N ATOM 1065 CA TYR A 69 12.858 9.968 -0.516 1.00 44.14 C ATOM 1066 C TYR A 69 11.880 9.987 -1.687 1.00 12.23 C ATOM 1067 O TYR A 69 12.123 10.638 -2.703 1.00 55.30 O ATOM 1068 CB TYR A 69 13.592 11.307 -0.429 1.00 11.53 C ATOM 1069 CG TYR A 69 13.669 11.865 0.975 1.00 52.04 C ATOM 1070 CD1 TYR A 69 12.526 12.002 1.753 1.00 51.14 C ATOM 1071 CD2 TYR A 69 14.885 12.254 1.523 1.00 71.21 C ATOM 1072 CE1 TYR A 69 12.592 12.512 3.035 1.00 74.31 C ATOM 1073 CE2 TYR A 69 14.960 12.763 2.805 1.00 43.11 C ATOM 1074 CZ TYR A 69 13.811 12.891 3.557 1.00 71.44 C ATOM 1075 OH TYR A 69 13.881 13.397 4.834 1.00 14.31 O ATOM 0 H TYR A 69 13.838 8.233 0.137 1.00 21.33 H new ATOM 0 HA TYR A 69 12.294 9.810 0.403 1.00 44.14 H new ATOM 0 HB2 TYR A 69 14.603 11.184 -0.818 1.00 11.53 H new ATOM 0 HB3 TYR A 69 13.089 12.030 -1.071 1.00 11.53 H new ATOM 0 HD1 TYR A 69 11.570 11.705 1.349 1.00 51.14 H new ATOM 0 HD2 TYR A 69 15.787 12.157 0.937 1.00 71.21 H new ATOM 0 HE1 TYR A 69 11.694 12.613 3.626 1.00 74.31 H new ATOM 0 HE2 TYR A 69 15.914 13.059 3.216 1.00 43.11 H new ATOM 0 HH TYR A 69 14.812 13.614 5.049 1.00 14.31 H new ATOM 1085 N ASP A 70 10.773 9.269 -1.535 1.00 73.21 N ATOM 1086 CA ASP A 70 9.755 9.203 -2.578 1.00 10.44 C ATOM 1087 C ASP A 70 8.355 9.223 -1.972 1.00 51.31 C ATOM 1088 O ASP A 70 8.005 8.365 -1.162 1.00 3.14 O ATOM 1089 CB ASP A 70 9.941 7.942 -3.423 1.00 13.32 C ATOM 1090 CG ASP A 70 9.807 8.216 -4.908 1.00 63.00 C ATOM 1091 OD1 ASP A 70 8.952 9.044 -5.284 1.00 11.33 O ATOM 1092 OD2 ASP A 70 10.558 7.601 -5.695 1.00 12.23 O ATOM 0 H ASP A 70 10.557 8.724 -0.700 1.00 73.21 H new ATOM 0 HA ASP A 70 9.867 10.079 -3.217 1.00 10.44 H new ATOM 0 HB2 ASP A 70 10.924 7.515 -3.222 1.00 13.32 H new ATOM 0 HB3 ASP A 70 9.203 7.197 -3.126 1.00 13.32 H new ATOM 1097 N VAL A 71 7.557 10.209 -2.370 1.00 44.44 N ATOM 1098 CA VAL A 71 6.195 10.342 -1.867 1.00 63.54 C ATOM 1099 C VAL A 71 5.368 9.102 -2.189 1.00 51.12 C ATOM 1100 O VAL A 71 4.475 8.726 -1.430 1.00 43.11 O ATOM 1101 CB VAL A 71 5.496 11.580 -2.459 1.00 61.10 C ATOM 1102 CG1 VAL A 71 5.402 11.468 -3.973 1.00 64.11 C ATOM 1103 CG2 VAL A 71 4.117 11.758 -1.843 1.00 33.51 C ATOM 0 H VAL A 71 7.831 10.928 -3.040 1.00 44.44 H new ATOM 0 HA VAL A 71 6.266 10.458 -0.785 1.00 63.54 H new ATOM 0 HB VAL A 71 6.092 12.461 -2.221 1.00 61.10 H new ATOM 0 HG11 VAL A 71 4.905 12.352 -4.373 1.00 64.11 H new ATOM 0 HG12 VAL A 71 6.404 11.393 -4.395 1.00 64.11 H new ATOM 0 HG13 VAL A 71 4.829 10.579 -4.237 1.00 64.11 H new ATOM 0 HG21 VAL A 71 3.637 12.637 -2.273 1.00 33.51 H new ATOM 0 HG22 VAL A 71 3.510 10.876 -2.049 1.00 33.51 H new ATOM 0 HG23 VAL A 71 4.214 11.888 -0.765 1.00 33.51 H new ATOM 1113 N GLN A 72 5.672 8.472 -3.319 1.00 75.32 N ATOM 1114 CA GLN A 72 4.955 7.274 -3.741 1.00 41.05 C ATOM 1115 C GLN A 72 5.665 6.599 -4.910 1.00 60.32 C ATOM 1116 O GLN A 72 5.026 6.142 -5.859 1.00 15.22 O ATOM 1117 CB GLN A 72 3.519 7.625 -4.136 1.00 4.24 C ATOM 1118 CG GLN A 72 2.476 7.102 -3.162 1.00 11.43 C ATOM 1119 CD GLN A 72 2.414 5.588 -3.130 1.00 52.03 C ATOM 1120 OE1 GLN A 72 1.645 4.971 -3.869 1.00 4.32 O ATOM 1121 NE2 GLN A 72 3.225 4.980 -2.273 1.00 32.43 N ATOM 0 H GLN A 72 6.409 8.770 -3.958 1.00 75.32 H new ATOM 0 HA GLN A 72 4.934 6.579 -2.901 1.00 41.05 H new ATOM 0 HB2 GLN A 72 3.425 8.709 -4.209 1.00 4.24 H new ATOM 0 HB3 GLN A 72 3.314 7.220 -5.127 1.00 4.24 H new ATOM 0 HG2 GLN A 72 2.700 7.474 -2.162 1.00 11.43 H new ATOM 0 HG3 GLN A 72 1.498 7.496 -3.437 1.00 11.43 H new ATOM 0 HE21 GLN A 72 3.846 5.531 -1.680 1.00 32.43 H new ATOM 0 HE22 GLN A 72 3.228 3.962 -2.208 1.00 32.43 H new ATOM 1130 N LEU A 73 6.990 6.539 -4.836 1.00 60.40 N ATOM 1131 CA LEU A 73 7.788 5.919 -5.888 1.00 71.14 C ATOM 1132 C LEU A 73 7.489 6.553 -7.243 1.00 62.01 C ATOM 1133 O LEU A 73 7.390 5.861 -8.257 1.00 34.11 O ATOM 1134 CB LEU A 73 7.514 4.415 -5.945 1.00 12.02 C ATOM 1135 CG LEU A 73 7.755 3.640 -4.649 1.00 60.31 C ATOM 1136 CD1 LEU A 73 9.024 4.125 -3.965 1.00 73.11 C ATOM 1137 CD2 LEU A 73 6.560 3.774 -3.717 1.00 33.30 C ATOM 0 H LEU A 73 7.535 6.912 -4.058 1.00 60.40 H new ATOM 0 HA LEU A 73 8.840 6.082 -5.655 1.00 71.14 H new ATOM 0 HB2 LEU A 73 6.477 4.266 -6.247 1.00 12.02 H new ATOM 0 HB3 LEU A 73 8.139 3.981 -6.726 1.00 12.02 H new ATOM 0 HG LEU A 73 7.880 2.586 -4.897 1.00 60.31 H new ATOM 0 HD11 LEU A 73 9.179 3.562 -3.045 1.00 73.11 H new ATOM 0 HD12 LEU A 73 9.875 3.976 -4.629 1.00 73.11 H new ATOM 0 HD13 LEU A 73 8.928 5.185 -3.730 1.00 73.11 H new ATOM 0 HD21 LEU A 73 6.749 3.216 -2.800 1.00 33.30 H new ATOM 0 HD22 LEU A 73 6.403 4.825 -3.476 1.00 33.30 H new ATOM 0 HD23 LEU A 73 5.671 3.377 -4.206 1.00 33.30 H new ATOM 1149 N THR A 74 7.349 7.875 -7.254 1.00 40.01 N ATOM 1150 CA THR A 74 7.063 8.603 -8.484 1.00 0.12 C ATOM 1151 C THR A 74 8.317 8.757 -9.336 1.00 64.32 C ATOM 1152 O THR A 74 8.237 9.012 -10.538 1.00 61.34 O ATOM 1153 CB THR A 74 6.483 9.999 -8.188 1.00 51.02 C ATOM 1154 OG1 THR A 74 5.298 9.879 -7.393 1.00 71.24 O ATOM 1155 CG2 THR A 74 6.161 10.736 -9.480 1.00 32.34 C ATOM 0 H THR A 74 7.429 8.463 -6.425 1.00 40.01 H new ATOM 0 HA THR A 74 6.324 8.019 -9.032 1.00 0.12 H new ATOM 0 HB THR A 74 7.231 10.570 -7.639 1.00 51.02 H new ATOM 0 HG1 THR A 74 4.937 10.771 -7.208 1.00 71.24 H new ATOM 0 HG21 THR A 74 5.753 11.719 -9.246 1.00 32.34 H new ATOM 0 HG22 THR A 74 7.071 10.852 -10.069 1.00 32.34 H new ATOM 0 HG23 THR A 74 5.429 10.166 -10.051 1.00 32.34 H new ATOM 1163 N THR A 75 9.478 8.599 -8.707 1.00 40.30 N ATOM 1164 CA THR A 75 10.750 8.721 -9.408 1.00 20.01 C ATOM 1165 C THR A 75 10.888 7.652 -10.486 1.00 40.53 C ATOM 1166 O THR A 75 11.216 7.954 -11.635 1.00 35.31 O ATOM 1167 CB THR A 75 11.940 8.610 -8.436 1.00 32.11 C ATOM 1168 OG1 THR A 75 11.983 7.299 -7.862 1.00 33.32 O ATOM 1169 CG2 THR A 75 11.835 9.650 -7.331 1.00 34.34 C ATOM 0 H THR A 75 9.563 8.386 -7.713 1.00 40.30 H new ATOM 0 HA THR A 75 10.761 9.707 -9.873 1.00 20.01 H new ATOM 0 HB THR A 75 12.857 8.791 -8.997 1.00 32.11 H new ATOM 0 HG1 THR A 75 11.486 7.295 -7.018 1.00 33.32 H new ATOM 0 HG21 THR A 75 12.686 9.552 -6.657 1.00 34.34 H new ATOM 0 HG22 THR A 75 11.832 10.648 -7.770 1.00 34.34 H new ATOM 0 HG23 THR A 75 10.911 9.496 -6.773 1.00 34.34 H new ATOM 1177 N LEU A 76 10.636 6.404 -10.111 1.00 31.54 N ATOM 1178 CA LEU A 76 10.731 5.289 -11.047 1.00 22.11 C ATOM 1179 C LEU A 76 9.505 5.232 -11.953 1.00 3.32 C ATOM 1180 O LEU A 76 9.601 4.864 -13.124 1.00 23.24 O ATOM 1181 CB LEU A 76 10.879 3.970 -10.287 1.00 20.23 C ATOM 1182 CG LEU A 76 11.978 3.927 -9.225 1.00 22.34 C ATOM 1183 CD1 LEU A 76 12.102 2.528 -8.641 1.00 61.20 C ATOM 1184 CD2 LEU A 76 13.306 4.381 -9.813 1.00 22.23 C ATOM 0 H LEU A 76 10.364 6.138 -9.165 1.00 31.54 H new ATOM 0 HA LEU A 76 11.613 5.444 -11.669 1.00 22.11 H new ATOM 0 HB2 LEU A 76 9.928 3.742 -9.806 1.00 20.23 H new ATOM 0 HB3 LEU A 76 11.069 3.177 -11.010 1.00 20.23 H new ATOM 0 HG LEU A 76 11.706 4.611 -8.421 1.00 22.34 H new ATOM 0 HD11 LEU A 76 12.889 2.517 -7.887 1.00 61.20 H new ATOM 0 HD12 LEU A 76 11.156 2.240 -8.182 1.00 61.20 H new ATOM 0 HD13 LEU A 76 12.350 1.823 -9.435 1.00 61.20 H new ATOM 0 HD21 LEU A 76 14.077 4.344 -9.043 1.00 22.23 H new ATOM 0 HD22 LEU A 76 13.584 3.722 -10.636 1.00 22.23 H new ATOM 0 HD23 LEU A 76 13.210 5.402 -10.182 1.00 22.23 H new ATOM 1196 N LYS A 77 8.353 5.602 -11.404 1.00 61.21 N ATOM 1197 CA LYS A 77 7.108 5.597 -12.162 1.00 54.12 C ATOM 1198 C LYS A 77 7.123 6.676 -13.241 1.00 21.43 C ATOM 1199 O LYS A 77 6.549 6.500 -14.315 1.00 33.24 O ATOM 1200 CB LYS A 77 5.916 5.814 -11.227 1.00 21.44 C ATOM 1201 CG LYS A 77 5.025 4.592 -11.084 1.00 53.03 C ATOM 1202 CD LYS A 77 5.626 3.570 -10.134 1.00 45.23 C ATOM 1203 CE LYS A 77 6.352 2.467 -10.889 1.00 62.01 C ATOM 1204 NZ LYS A 77 7.805 2.434 -10.562 1.00 34.22 N ATOM 0 H LYS A 77 8.256 5.909 -10.436 1.00 61.21 H new ATOM 0 HA LYS A 77 7.011 4.625 -12.645 1.00 54.12 H new ATOM 0 HB2 LYS A 77 6.285 6.102 -10.242 1.00 21.44 H new ATOM 0 HB3 LYS A 77 5.319 6.647 -11.600 1.00 21.44 H new ATOM 0 HG2 LYS A 77 4.044 4.897 -10.719 1.00 53.03 H new ATOM 0 HG3 LYS A 77 4.873 4.135 -12.062 1.00 53.03 H new ATOM 0 HD2 LYS A 77 6.320 4.066 -9.456 1.00 45.23 H new ATOM 0 HD3 LYS A 77 4.838 3.134 -9.520 1.00 45.23 H new ATOM 0 HE2 LYS A 77 5.903 1.504 -10.645 1.00 62.01 H new ATOM 0 HE3 LYS A 77 6.224 2.616 -11.961 1.00 62.01 H new ATOM 0 HZ1 LYS A 77 8.124 1.446 -10.497 1.00 34.22 H new ATOM 0 HZ2 LYS A 77 8.340 2.922 -11.308 1.00 34.22 H new ATOM 0 HZ3 LYS A 77 7.967 2.910 -9.652 1.00 34.22 H new ATOM 1218 N GLU A 78 7.785 7.790 -12.947 1.00 42.42 N ATOM 1219 CA GLU A 78 7.875 8.896 -13.893 1.00 41.33 C ATOM 1220 C GLU A 78 8.954 8.631 -14.940 1.00 32.14 C ATOM 1221 O GLU A 78 8.883 9.133 -16.061 1.00 53.33 O ATOM 1222 CB GLU A 78 8.174 10.204 -13.157 1.00 23.22 C ATOM 1223 CG GLU A 78 8.148 11.428 -14.056 1.00 1.52 C ATOM 1224 CD GLU A 78 8.873 12.614 -13.448 1.00 61.43 C ATOM 1225 OE1 GLU A 78 10.119 12.575 -13.378 1.00 42.43 O ATOM 1226 OE2 GLU A 78 8.193 13.580 -13.043 1.00 64.10 O ATOM 0 H GLU A 78 8.266 7.951 -12.062 1.00 42.42 H new ATOM 0 HA GLU A 78 6.914 8.984 -14.400 1.00 41.33 H new ATOM 0 HB2 GLU A 78 7.445 10.336 -12.357 1.00 23.22 H new ATOM 0 HB3 GLU A 78 9.154 10.130 -12.686 1.00 23.22 H new ATOM 0 HG2 GLU A 78 8.604 11.180 -15.014 1.00 1.52 H new ATOM 0 HG3 GLU A 78 7.113 11.704 -14.258 1.00 1.52 H new ATOM 1233 N ASP A 79 9.952 7.839 -14.564 1.00 32.23 N ATOM 1234 CA ASP A 79 11.046 7.505 -15.469 1.00 13.44 C ATOM 1235 C ASP A 79 10.602 6.473 -16.501 1.00 11.53 C ATOM 1236 O ASP A 79 10.824 6.645 -17.700 1.00 1.44 O ATOM 1237 CB ASP A 79 12.244 6.974 -14.680 1.00 51.04 C ATOM 1238 CG ASP A 79 13.269 8.052 -14.388 1.00 52.21 C ATOM 1239 OD1 ASP A 79 13.006 8.897 -13.507 1.00 52.02 O ATOM 1240 OD2 ASP A 79 14.334 8.052 -15.041 1.00 33.21 O ATOM 0 H ASP A 79 10.026 7.416 -13.639 1.00 32.23 H new ATOM 0 HA ASP A 79 11.341 8.413 -15.995 1.00 13.44 H new ATOM 0 HB2 ASP A 79 11.895 6.545 -13.741 1.00 51.04 H new ATOM 0 HB3 ASP A 79 12.718 6.169 -15.242 1.00 51.04 H new ATOM 1245 N ILE A 80 9.975 5.402 -16.027 1.00 22.02 N ATOM 1246 CA ILE A 80 9.501 4.343 -16.909 1.00 33.13 C ATOM 1247 C ILE A 80 8.439 4.864 -17.872 1.00 21.34 C ATOM 1248 O ILE A 80 8.446 4.533 -19.057 1.00 44.25 O ATOM 1249 CB ILE A 80 8.917 3.163 -16.109 1.00 5.24 C ATOM 1250 CG1 ILE A 80 8.415 2.073 -17.058 1.00 1.50 C ATOM 1251 CG2 ILE A 80 7.794 3.642 -15.202 1.00 10.34 C ATOM 1252 CD1 ILE A 80 9.486 1.536 -17.982 1.00 12.14 C ATOM 0 H ILE A 80 9.783 5.245 -15.038 1.00 22.02 H new ATOM 0 HA ILE A 80 10.364 3.995 -17.476 1.00 33.13 H new ATOM 0 HB ILE A 80 9.705 2.740 -15.486 1.00 5.24 H new ATOM 0 HG12 ILE A 80 8.008 1.250 -16.470 1.00 1.50 H new ATOM 0 HG13 ILE A 80 7.597 2.473 -17.657 1.00 1.50 H new ATOM 0 HG21 ILE A 80 7.392 2.797 -14.644 1.00 10.34 H new ATOM 0 HG22 ILE A 80 8.181 4.386 -14.506 1.00 10.34 H new ATOM 0 HG23 ILE A 80 7.003 4.087 -15.806 1.00 10.34 H new ATOM 0 HD11 ILE A 80 9.059 0.767 -18.626 1.00 12.14 H new ATOM 0 HD12 ILE A 80 9.877 2.347 -18.596 1.00 12.14 H new ATOM 0 HD13 ILE A 80 10.294 1.106 -17.391 1.00 12.14 H new ATOM 1264 N ARG A 81 7.528 5.681 -17.354 1.00 3.34 N ATOM 1265 CA ARG A 81 6.460 6.249 -18.168 1.00 22.15 C ATOM 1266 C ARG A 81 7.021 7.230 -19.193 1.00 71.43 C ATOM 1267 O ARG A 81 6.485 7.367 -20.294 1.00 2.41 O ATOM 1268 CB ARG A 81 5.434 6.955 -17.280 1.00 35.44 C ATOM 1269 CG ARG A 81 5.887 8.320 -16.791 1.00 5.31 C ATOM 1270 CD ARG A 81 4.829 8.981 -15.922 1.00 30.04 C ATOM 1271 NE ARG A 81 4.335 8.082 -14.882 1.00 61.11 N ATOM 1272 CZ ARG A 81 3.204 8.281 -14.215 1.00 74.33 C ATOM 1273 NH1 ARG A 81 2.453 9.341 -14.479 1.00 14.24 N ATOM 1274 NH2 ARG A 81 2.821 7.417 -13.283 1.00 51.32 N ATOM 0 H ARG A 81 7.508 5.964 -16.374 1.00 3.34 H new ATOM 0 HA ARG A 81 5.970 5.434 -18.701 1.00 22.15 H new ATOM 0 HB2 ARG A 81 4.503 7.068 -17.835 1.00 35.44 H new ATOM 0 HB3 ARG A 81 5.217 6.324 -16.418 1.00 35.44 H new ATOM 0 HG2 ARG A 81 6.812 8.216 -16.224 1.00 5.31 H new ATOM 0 HG3 ARG A 81 6.108 8.959 -17.646 1.00 5.31 H new ATOM 0 HD2 ARG A 81 5.247 9.875 -15.460 1.00 30.04 H new ATOM 0 HD3 ARG A 81 3.997 9.304 -16.547 1.00 30.04 H new ATOM 0 HE ARG A 81 4.889 7.256 -14.656 1.00 61.11 H new ATOM 0 HH11 ARG A 81 2.743 10.006 -15.196 1.00 14.24 H new ATOM 0 HH12 ARG A 81 1.585 9.492 -13.965 1.00 14.24 H new ATOM 0 HH21 ARG A 81 3.396 6.599 -13.079 1.00 51.32 H new ATOM 0 HH22 ARG A 81 1.952 7.571 -12.771 1.00 51.32 H new ATOM 1288 N LEU A 82 8.101 7.909 -18.825 1.00 44.13 N ATOM 1289 CA LEU A 82 8.735 8.878 -19.713 1.00 22.11 C ATOM 1290 C LEU A 82 9.227 8.205 -20.990 1.00 44.34 C ATOM 1291 O LEU A 82 9.055 8.734 -22.088 1.00 51.50 O ATOM 1292 CB LEU A 82 9.903 9.563 -19.001 1.00 50.44 C ATOM 1293 CG LEU A 82 10.600 10.681 -19.779 1.00 31.34 C ATOM 1294 CD1 LEU A 82 11.584 10.099 -20.782 1.00 52.40 C ATOM 1295 CD2 LEU A 82 9.576 11.560 -20.481 1.00 41.51 C ATOM 0 H LEU A 82 8.557 7.807 -17.918 1.00 44.13 H new ATOM 0 HA LEU A 82 7.992 9.628 -19.983 1.00 22.11 H new ATOM 0 HB2 LEU A 82 9.538 9.975 -18.060 1.00 50.44 H new ATOM 0 HB3 LEU A 82 10.645 8.805 -18.750 1.00 50.44 H new ATOM 0 HG LEU A 82 11.155 11.298 -19.073 1.00 31.34 H new ATOM 0 HD11 LEU A 82 12.070 10.909 -21.326 1.00 52.40 H new ATOM 0 HD12 LEU A 82 12.337 9.512 -20.255 1.00 52.40 H new ATOM 0 HD13 LEU A 82 11.051 9.458 -21.485 1.00 52.40 H new ATOM 0 HD21 LEU A 82 10.089 12.350 -21.029 1.00 41.51 H new ATOM 0 HD22 LEU A 82 8.993 10.956 -21.176 1.00 41.51 H new ATOM 0 HD23 LEU A 82 8.911 12.005 -19.741 1.00 41.51 H new ATOM 1307 N MET A 83 9.839 7.035 -20.839 1.00 51.11 N ATOM 1308 CA MET A 83 10.353 6.289 -21.982 1.00 32.54 C ATOM 1309 C MET A 83 9.224 5.909 -22.935 1.00 63.02 C ATOM 1310 O MET A 83 9.280 6.207 -24.128 1.00 70.34 O ATOM 1311 CB MET A 83 11.082 5.029 -21.509 1.00 10.41 C ATOM 1312 CG MET A 83 12.128 5.298 -20.440 1.00 3.44 C ATOM 1313 SD MET A 83 13.215 3.887 -20.161 1.00 22.03 S ATOM 1314 CE MET A 83 12.576 3.269 -18.606 1.00 11.32 C ATOM 0 H MET A 83 9.991 6.583 -19.937 1.00 51.11 H new ATOM 0 HA MET A 83 11.056 6.929 -22.516 1.00 32.54 H new ATOM 0 HB2 MET A 83 10.351 4.320 -21.120 1.00 10.41 H new ATOM 0 HB3 MET A 83 11.562 4.554 -22.365 1.00 10.41 H new ATOM 0 HG2 MET A 83 12.727 6.161 -20.732 1.00 3.44 H new ATOM 0 HG3 MET A 83 11.629 5.558 -19.506 1.00 3.44 H new ATOM 0 HE1 MET A 83 13.301 2.589 -18.159 1.00 11.32 H new ATOM 0 HE2 MET A 83 12.396 4.104 -17.929 1.00 11.32 H new ATOM 0 HE3 MET A 83 11.641 2.737 -18.782 1.00 11.32 H new ATOM 1324 N VAL A 84 8.201 5.250 -22.401 1.00 71.33 N ATOM 1325 CA VAL A 84 7.059 4.830 -23.205 1.00 11.31 C ATOM 1326 C VAL A 84 6.324 6.033 -23.786 1.00 1.13 C ATOM 1327 O VAL A 84 5.705 5.943 -24.845 1.00 32.23 O ATOM 1328 CB VAL A 84 6.069 3.988 -22.378 1.00 4.44 C ATOM 1329 CG1 VAL A 84 5.594 4.767 -21.160 1.00 73.43 C ATOM 1330 CG2 VAL A 84 4.892 3.554 -23.237 1.00 15.50 C ATOM 0 H VAL A 84 8.139 4.995 -21.415 1.00 71.33 H new ATOM 0 HA VAL A 84 7.452 4.220 -24.018 1.00 11.31 H new ATOM 0 HB VAL A 84 6.583 3.092 -22.029 1.00 4.44 H new ATOM 0 HG11 VAL A 84 4.895 4.157 -20.588 1.00 73.43 H new ATOM 0 HG12 VAL A 84 6.450 5.022 -20.535 1.00 73.43 H new ATOM 0 HG13 VAL A 84 5.096 5.681 -21.484 1.00 73.43 H new ATOM 0 HG21 VAL A 84 4.203 2.960 -22.637 1.00 15.50 H new ATOM 0 HG22 VAL A 84 4.375 4.435 -23.618 1.00 15.50 H new ATOM 0 HG23 VAL A 84 5.253 2.955 -24.073 1.00 15.50 H new ATOM 1340 N ASN A 85 6.398 7.160 -23.085 1.00 21.14 N ATOM 1341 CA ASN A 85 5.740 8.382 -23.531 1.00 14.33 C ATOM 1342 C ASN A 85 6.361 8.893 -24.827 1.00 71.12 C ATOM 1343 O ASN A 85 5.653 9.256 -25.765 1.00 41.25 O ATOM 1344 CB ASN A 85 5.832 9.460 -22.449 1.00 11.13 C ATOM 1345 CG ASN A 85 4.776 9.291 -21.373 1.00 4.30 C ATOM 1346 OD1 ASN A 85 3.686 8.783 -21.632 1.00 73.43 O ATOM 1347 ND2 ASN A 85 5.097 9.719 -20.157 1.00 40.04 N ATOM 0 H ASN A 85 6.907 7.252 -22.206 1.00 21.14 H new ATOM 0 HA ASN A 85 4.691 8.152 -23.718 1.00 14.33 H new ATOM 0 HB2 ASN A 85 6.821 9.429 -21.992 1.00 11.13 H new ATOM 0 HB3 ASN A 85 5.724 10.442 -22.909 1.00 11.13 H new ATOM 0 HD21 ASN A 85 4.427 9.632 -19.393 1.00 40.04 H new ATOM 0 HD22 ASN A 85 6.013 10.134 -19.988 1.00 40.04 H new ATOM 1354 N ASN A 86 7.689 8.917 -24.871 1.00 61.32 N ATOM 1355 CA ASN A 86 8.406 9.383 -26.052 1.00 64.45 C ATOM 1356 C ASN A 86 8.314 8.362 -27.183 1.00 24.34 C ATOM 1357 O ASN A 86 8.285 8.724 -28.359 1.00 43.13 O ATOM 1358 CB ASN A 86 9.873 9.651 -25.711 1.00 4.21 C ATOM 1359 CG ASN A 86 10.435 10.839 -26.468 1.00 10.45 C ATOM 1360 OD1 ASN A 86 10.458 11.960 -25.957 1.00 63.43 O ATOM 1361 ND2 ASN A 86 10.891 10.600 -27.692 1.00 32.55 N ATOM 0 H ASN A 86 8.290 8.619 -24.103 1.00 61.32 H new ATOM 0 HA ASN A 86 7.942 10.311 -26.385 1.00 64.45 H new ATOM 0 HB2 ASN A 86 9.968 9.829 -24.640 1.00 4.21 H new ATOM 0 HB3 ASN A 86 10.464 8.765 -25.941 1.00 4.21 H new ATOM 0 HD21 ASN A 86 11.280 11.361 -28.249 1.00 32.55 H new ATOM 0 HD22 ASN A 86 10.852 9.656 -28.075 1.00 32.55 H new ATOM 1368 N CYS A 87 8.268 7.086 -26.817 1.00 65.50 N ATOM 1369 CA CYS A 87 8.180 6.011 -27.800 1.00 11.41 C ATOM 1370 C CYS A 87 6.861 6.080 -28.563 1.00 42.32 C ATOM 1371 O CYS A 87 6.841 6.360 -29.762 1.00 73.33 O ATOM 1372 CB CYS A 87 8.315 4.651 -27.114 1.00 4.55 C ATOM 1373 SG CYS A 87 9.972 4.309 -26.474 1.00 15.22 S ATOM 0 H CYS A 87 8.290 6.770 -25.847 1.00 65.50 H new ATOM 0 HA CYS A 87 8.998 6.134 -28.510 1.00 11.41 H new ATOM 0 HB2 CYS A 87 7.601 4.598 -26.292 1.00 4.55 H new ATOM 0 HB3 CYS A 87 8.042 3.869 -27.823 1.00 4.55 H new ATOM 0 HG CYS A 87 10.163 4.985 -25.380 1.00 15.22 H new ATOM 1379 N ILE A 88 5.763 5.822 -27.861 1.00 41.30 N ATOM 1380 CA ILE A 88 4.441 5.855 -28.473 1.00 35.40 C ATOM 1381 C ILE A 88 4.191 7.186 -29.174 1.00 24.22 C ATOM 1382 O ILE A 88 3.462 7.252 -30.164 1.00 33.21 O ATOM 1383 CB ILE A 88 3.332 5.621 -27.430 1.00 12.11 C ATOM 1384 CG1 ILE A 88 3.360 6.722 -26.368 1.00 2.30 C ATOM 1385 CG2 ILE A 88 3.491 4.252 -26.785 1.00 53.15 C ATOM 1386 CD1 ILE A 88 2.403 7.859 -26.650 1.00 74.32 C ATOM 0 H ILE A 88 5.763 5.588 -26.868 1.00 41.30 H new ATOM 0 HA ILE A 88 4.414 5.050 -29.208 1.00 35.40 H new ATOM 0 HB ILE A 88 2.367 5.653 -27.935 1.00 12.11 H new ATOM 0 HG12 ILE A 88 3.118 6.286 -25.399 1.00 2.30 H new ATOM 0 HG13 ILE A 88 4.372 7.120 -26.295 1.00 2.30 H new ATOM 0 HG21 ILE A 88 2.700 4.102 -26.050 1.00 53.15 H new ATOM 0 HG22 ILE A 88 3.426 3.479 -27.551 1.00 53.15 H new ATOM 0 HG23 ILE A 88 4.461 4.193 -26.291 1.00 53.15 H new ATOM 0 HD11 ILE A 88 2.477 8.602 -25.856 1.00 74.32 H new ATOM 0 HD12 ILE A 88 2.657 8.321 -27.604 1.00 74.32 H new ATOM 0 HD13 ILE A 88 1.384 7.475 -26.693 1.00 74.32 H new ATOM 1398 N LEU A 89 4.803 8.245 -28.655 1.00 65.41 N ATOM 1399 CA LEU A 89 4.650 9.576 -29.232 1.00 62.21 C ATOM 1400 C LEU A 89 5.466 9.711 -30.514 1.00 20.03 C ATOM 1401 O LEU A 89 4.987 10.246 -31.514 1.00 13.04 O ATOM 1402 CB LEU A 89 5.082 10.643 -28.224 1.00 73.43 C ATOM 1403 CG LEU A 89 4.892 12.095 -28.662 1.00 52.32 C ATOM 1404 CD1 LEU A 89 4.693 12.996 -27.453 1.00 30.32 C ATOM 1405 CD2 LEU A 89 6.081 12.563 -29.488 1.00 3.21 C ATOM 0 H LEU A 89 5.410 8.208 -27.836 1.00 65.41 H new ATOM 0 HA LEU A 89 3.598 9.720 -29.476 1.00 62.21 H new ATOM 0 HB2 LEU A 89 4.526 10.487 -27.300 1.00 73.43 H new ATOM 0 HB3 LEU A 89 6.136 10.489 -27.992 1.00 73.43 H new ATOM 0 HG LEU A 89 3.998 12.153 -29.283 1.00 52.32 H new ATOM 0 HD11 LEU A 89 4.559 14.026 -27.785 1.00 30.32 H new ATOM 0 HD12 LEU A 89 3.809 12.675 -26.901 1.00 30.32 H new ATOM 0 HD13 LEU A 89 5.567 12.934 -26.805 1.00 30.32 H new ATOM 0 HD21 LEU A 89 5.928 13.599 -29.791 1.00 3.21 H new ATOM 0 HD22 LEU A 89 6.990 12.490 -28.891 1.00 3.21 H new ATOM 0 HD23 LEU A 89 6.178 11.936 -30.374 1.00 3.21 H new ATOM 1417 N PHE A 90 6.701 9.221 -30.478 1.00 33.34 N ATOM 1418 CA PHE A 90 7.583 9.286 -31.637 1.00 22.44 C ATOM 1419 C PHE A 90 6.886 8.747 -32.882 1.00 73.12 C ATOM 1420 O PHE A 90 7.184 9.161 -34.002 1.00 31.05 O ATOM 1421 CB PHE A 90 8.865 8.493 -31.373 1.00 61.21 C ATOM 1422 CG PHE A 90 9.945 8.745 -32.386 1.00 1.51 C ATOM 1423 CD1 PHE A 90 10.854 9.776 -32.206 1.00 62.55 C ATOM 1424 CD2 PHE A 90 10.051 7.953 -33.518 1.00 12.23 C ATOM 1425 CE1 PHE A 90 11.849 10.011 -33.136 1.00 65.44 C ATOM 1426 CE2 PHE A 90 11.044 8.183 -34.451 1.00 2.23 C ATOM 1427 CZ PHE A 90 11.944 9.214 -34.260 1.00 72.15 C ATOM 0 H PHE A 90 7.113 8.775 -29.659 1.00 33.34 H new ATOM 0 HA PHE A 90 7.839 10.331 -31.810 1.00 22.44 H new ATOM 0 HB2 PHE A 90 9.241 8.746 -30.382 1.00 61.21 H new ATOM 0 HB3 PHE A 90 8.629 7.429 -31.362 1.00 61.21 H new ATOM 0 HD1 PHE A 90 10.784 10.403 -31.329 1.00 62.55 H new ATOM 0 HD2 PHE A 90 9.349 7.147 -33.673 1.00 12.23 H new ATOM 0 HE1 PHE A 90 12.552 10.817 -32.984 1.00 65.44 H new ATOM 0 HE2 PHE A 90 11.117 7.558 -35.329 1.00 2.23 H new ATOM 0 HZ PHE A 90 12.720 9.396 -34.988 1.00 72.15 H new ATOM 1437 N ASN A 91 5.955 7.820 -32.678 1.00 23.11 N ATOM 1438 CA ASN A 91 5.215 7.223 -33.784 1.00 24.22 C ATOM 1439 C ASN A 91 4.108 6.310 -33.267 1.00 74.01 C ATOM 1440 O ASN A 91 3.023 6.244 -33.844 1.00 41.52 O ATOM 1441 CB ASN A 91 6.162 6.433 -34.690 1.00 74.31 C ATOM 1442 CG ASN A 91 5.612 6.265 -36.094 1.00 2.14 C ATOM 1443 OD1 ASN A 91 5.811 7.121 -36.956 1.00 74.11 O ATOM 1444 ND2 ASN A 91 4.917 5.158 -36.328 1.00 51.44 N ATOM 0 H ASN A 91 5.695 7.466 -31.757 1.00 23.11 H new ATOM 0 HA ASN A 91 4.758 8.028 -34.360 1.00 24.22 H new ATOM 0 HB2 ASN A 91 7.124 6.943 -34.738 1.00 74.31 H new ATOM 0 HB3 ASN A 91 6.343 5.451 -34.254 1.00 74.31 H new ATOM 0 HD21 ASN A 91 4.523 4.990 -37.253 1.00 51.44 H new ATOM 0 HD22 ASN A 91 4.778 4.476 -35.582 1.00 51.44 H new ATOM 1451 N GLY A 92 4.389 5.607 -32.174 1.00 60.43 N ATOM 1452 CA GLY A 92 3.407 4.707 -31.598 1.00 11.34 C ATOM 1453 C GLY A 92 3.940 3.298 -31.429 1.00 14.35 C ATOM 1454 O GLY A 92 3.175 2.334 -31.428 1.00 13.35 O ATOM 0 H GLY A 92 5.279 5.645 -31.677 1.00 60.43 H new ATOM 0 HA2 GLY A 92 3.091 5.091 -30.628 1.00 11.34 H new ATOM 0 HA3 GLY A 92 2.523 4.684 -32.235 1.00 11.34 H new ATOM 1458 N ALA A 93 5.256 3.178 -31.287 1.00 34.11 N ATOM 1459 CA ALA A 93 5.890 1.877 -31.116 1.00 73.42 C ATOM 1460 C ALA A 93 7.379 2.026 -30.826 1.00 63.41 C ATOM 1461 O ALA A 93 7.931 1.315 -29.986 1.00 51.52 O ATOM 1462 CB ALA A 93 5.674 1.018 -32.354 1.00 3.22 C ATOM 0 H ALA A 93 5.904 3.966 -31.287 1.00 34.11 H new ATOM 0 HA ALA A 93 5.428 1.385 -30.260 1.00 73.42 H new ATOM 0 HB1 ALA A 93 6.153 0.049 -32.213 1.00 3.22 H new ATOM 0 HB2 ALA A 93 4.606 0.875 -32.516 1.00 3.22 H new ATOM 0 HB3 ALA A 93 6.109 1.514 -33.222 1.00 3.22 H new ATOM 1468 N GLU A 94 8.024 2.953 -31.527 1.00 63.13 N ATOM 1469 CA GLU A 94 9.451 3.193 -31.345 1.00 30.32 C ATOM 1470 C GLU A 94 10.262 1.950 -31.701 1.00 35.44 C ATOM 1471 O GLU A 94 11.439 1.844 -31.359 1.00 53.01 O ATOM 1472 CB GLU A 94 9.740 3.608 -29.901 1.00 25.43 C ATOM 1473 CG GLU A 94 11.088 4.285 -29.721 1.00 4.42 C ATOM 1474 CD GLU A 94 12.131 3.361 -29.123 1.00 11.05 C ATOM 1475 OE1 GLU A 94 11.765 2.533 -28.263 1.00 32.44 O ATOM 1476 OE2 GLU A 94 13.312 3.466 -29.514 1.00 21.15 O ATOM 0 H GLU A 94 7.581 3.550 -32.226 1.00 63.13 H new ATOM 0 HA GLU A 94 9.746 4.001 -32.014 1.00 30.32 H new ATOM 0 HB2 GLU A 94 8.955 4.284 -29.562 1.00 25.43 H new ATOM 0 HB3 GLU A 94 9.698 2.725 -29.263 1.00 25.43 H new ATOM 0 HG2 GLU A 94 11.440 4.647 -30.687 1.00 4.42 H new ATOM 0 HG3 GLU A 94 10.969 5.157 -29.078 1.00 4.42 H new ATOM 1483 N GLY A 95 9.621 1.010 -32.389 1.00 60.43 N ATOM 1484 CA GLY A 95 10.297 -0.214 -32.780 1.00 34.04 C ATOM 1485 C GLY A 95 9.795 -1.423 -32.014 1.00 41.43 C ATOM 1486 O GLY A 95 10.238 -2.545 -32.255 1.00 30.34 O ATOM 0 H GLY A 95 8.646 1.074 -32.683 1.00 60.43 H new ATOM 0 HA2 GLY A 95 10.154 -0.379 -33.848 1.00 34.04 H new ATOM 0 HA3 GLY A 95 11.369 -0.102 -32.615 1.00 34.04 H new ATOM 1490 N ALA A 96 8.870 -1.193 -31.089 1.00 14.43 N ATOM 1491 CA ALA A 96 8.308 -2.272 -30.286 1.00 15.42 C ATOM 1492 C ALA A 96 7.295 -1.737 -29.279 1.00 0.51 C ATOM 1493 O ALA A 96 7.558 -1.705 -28.076 1.00 72.44 O ATOM 1494 CB ALA A 96 9.416 -3.030 -29.571 1.00 11.24 C ATOM 0 H ALA A 96 8.494 -0.269 -30.877 1.00 14.43 H new ATOM 0 HA ALA A 96 7.788 -2.957 -30.956 1.00 15.42 H new ATOM 0 HB1 ALA A 96 8.982 -3.833 -28.975 1.00 11.24 H new ATOM 0 HB2 ALA A 96 10.100 -3.453 -30.306 1.00 11.24 H new ATOM 0 HB3 ALA A 96 9.961 -2.348 -28.918 1.00 11.24 H new ATOM 1500 N TYR A 97 6.138 -1.316 -29.777 1.00 51.24 N ATOM 1501 CA TYR A 97 5.087 -0.779 -28.921 1.00 50.31 C ATOM 1502 C TYR A 97 4.799 -1.721 -27.756 1.00 51.31 C ATOM 1503 O TYR A 97 4.382 -1.288 -26.682 1.00 62.21 O ATOM 1504 CB TYR A 97 3.810 -0.545 -29.731 1.00 22.45 C ATOM 1505 CG TYR A 97 3.079 -1.819 -30.088 1.00 74.41 C ATOM 1506 CD1 TYR A 97 3.545 -2.651 -31.099 1.00 23.23 C ATOM 1507 CD2 TYR A 97 1.921 -2.191 -29.416 1.00 54.15 C ATOM 1508 CE1 TYR A 97 2.880 -3.816 -31.429 1.00 51.14 C ATOM 1509 CE2 TYR A 97 1.250 -3.354 -29.739 1.00 74.44 C ATOM 1510 CZ TYR A 97 1.733 -4.163 -30.747 1.00 31.33 C ATOM 1511 OH TYR A 97 1.067 -5.322 -31.072 1.00 74.43 O ATOM 0 H TYR A 97 5.904 -1.336 -30.770 1.00 51.24 H new ATOM 0 HA TYR A 97 5.433 0.173 -28.518 1.00 50.31 H new ATOM 0 HB2 TYR A 97 3.141 0.100 -29.161 1.00 22.45 H new ATOM 0 HB3 TYR A 97 4.063 -0.012 -30.647 1.00 22.45 H new ATOM 0 HD1 TYR A 97 4.443 -2.382 -31.636 1.00 23.23 H new ATOM 0 HD2 TYR A 97 1.539 -1.560 -28.627 1.00 54.15 H new ATOM 0 HE1 TYR A 97 3.256 -4.452 -32.217 1.00 51.14 H new ATOM 0 HE2 TYR A 97 0.352 -3.629 -29.206 1.00 74.44 H new ATOM 0 HH TYR A 97 0.280 -5.419 -30.496 1.00 74.43 H new ATOM 1521 N ALA A 98 5.025 -3.011 -27.978 1.00 22.54 N ATOM 1522 CA ALA A 98 4.793 -4.016 -26.947 1.00 2.42 C ATOM 1523 C ALA A 98 5.846 -3.927 -25.847 1.00 41.03 C ATOM 1524 O ALA A 98 5.535 -4.064 -24.664 1.00 54.50 O ATOM 1525 CB ALA A 98 4.783 -5.408 -27.559 1.00 71.34 C ATOM 0 H ALA A 98 5.369 -3.385 -28.862 1.00 22.54 H new ATOM 0 HA ALA A 98 3.819 -3.822 -26.498 1.00 2.42 H new ATOM 0 HB1 ALA A 98 4.609 -6.148 -26.778 1.00 71.34 H new ATOM 0 HB2 ALA A 98 3.989 -5.473 -28.303 1.00 71.34 H new ATOM 0 HB3 ALA A 98 5.744 -5.603 -28.035 1.00 71.34 H new ATOM 1531 N ASP A 99 7.093 -3.698 -26.245 1.00 74.54 N ATOM 1532 CA ASP A 99 8.192 -3.591 -25.293 1.00 71.43 C ATOM 1533 C ASP A 99 7.883 -2.551 -24.221 1.00 72.30 C ATOM 1534 O ASP A 99 8.100 -2.787 -23.033 1.00 12.11 O ATOM 1535 CB ASP A 99 9.488 -3.225 -26.018 1.00 24.54 C ATOM 1536 CG ASP A 99 10.162 -4.431 -26.644 1.00 54.21 C ATOM 1537 OD1 ASP A 99 9.539 -5.513 -26.665 1.00 25.23 O ATOM 1538 OD2 ASP A 99 11.311 -4.292 -27.113 1.00 11.10 O ATOM 0 H ASP A 99 7.368 -3.583 -27.221 1.00 74.54 H new ATOM 0 HA ASP A 99 8.317 -4.559 -24.808 1.00 71.43 H new ATOM 0 HB2 ASP A 99 9.272 -2.490 -26.793 1.00 24.54 H new ATOM 0 HB3 ASP A 99 10.174 -2.754 -25.314 1.00 24.54 H new ATOM 1543 N ALA A 100 7.376 -1.400 -24.649 1.00 52.15 N ATOM 1544 CA ALA A 100 7.036 -0.324 -23.726 1.00 61.24 C ATOM 1545 C ALA A 100 5.842 -0.704 -22.856 1.00 45.25 C ATOM 1546 O ALA A 100 5.759 -0.308 -21.694 1.00 53.13 O ATOM 1547 CB ALA A 100 6.746 0.958 -24.493 1.00 63.43 C ATOM 0 H ALA A 100 7.191 -1.188 -25.630 1.00 52.15 H new ATOM 0 HA ALA A 100 7.891 -0.157 -23.071 1.00 61.24 H new ATOM 0 HB1 ALA A 100 6.494 1.753 -23.791 1.00 63.43 H new ATOM 0 HB2 ALA A 100 7.627 1.246 -25.066 1.00 63.43 H new ATOM 0 HB3 ALA A 100 5.909 0.794 -25.172 1.00 63.43 H new ATOM 1553 N ALA A 101 4.921 -1.473 -23.427 1.00 51.43 N ATOM 1554 CA ALA A 101 3.733 -1.906 -22.703 1.00 73.40 C ATOM 1555 C ALA A 101 4.084 -2.944 -21.643 1.00 25.25 C ATOM 1556 O ALA A 101 3.554 -2.915 -20.532 1.00 4.42 O ATOM 1557 CB ALA A 101 2.700 -2.466 -23.670 1.00 62.52 C ATOM 0 H ALA A 101 4.975 -1.809 -24.389 1.00 51.43 H new ATOM 0 HA ALA A 101 3.309 -1.038 -22.198 1.00 73.40 H new ATOM 0 HB1 ALA A 101 1.818 -2.786 -23.115 1.00 62.52 H new ATOM 0 HB2 ALA A 101 2.418 -1.695 -24.388 1.00 62.52 H new ATOM 0 HB3 ALA A 101 3.123 -3.319 -24.201 1.00 62.52 H new ATOM 1563 N ARG A 102 4.981 -3.861 -21.993 1.00 12.14 N ATOM 1564 CA ARG A 102 5.401 -4.909 -21.071 1.00 25.21 C ATOM 1565 C ARG A 102 6.189 -4.322 -19.903 1.00 34.32 C ATOM 1566 O ARG A 102 5.883 -4.585 -18.739 1.00 61.11 O ATOM 1567 CB ARG A 102 6.252 -5.949 -21.802 1.00 25.20 C ATOM 1568 CG ARG A 102 5.664 -7.350 -21.769 1.00 31.14 C ATOM 1569 CD ARG A 102 6.356 -8.220 -20.731 1.00 34.41 C ATOM 1570 NE ARG A 102 7.524 -8.903 -21.280 1.00 41.01 N ATOM 1571 CZ ARG A 102 7.449 -9.971 -22.067 1.00 1.33 C ATOM 1572 NH1 ARG A 102 6.268 -10.475 -22.395 1.00 14.20 N ATOM 1573 NH2 ARG A 102 8.558 -10.536 -22.527 1.00 73.21 N ATOM 0 H ARG A 102 5.430 -3.899 -22.908 1.00 12.14 H new ATOM 0 HA ARG A 102 4.507 -5.392 -20.677 1.00 25.21 H new ATOM 0 HB2 ARG A 102 6.375 -5.640 -22.840 1.00 25.20 H new ATOM 0 HB3 ARG A 102 7.246 -5.971 -21.356 1.00 25.20 H new ATOM 0 HG2 ARG A 102 4.599 -7.293 -21.546 1.00 31.14 H new ATOM 0 HG3 ARG A 102 5.760 -7.809 -22.753 1.00 31.14 H new ATOM 0 HD2 ARG A 102 6.661 -7.603 -19.886 1.00 34.41 H new ATOM 0 HD3 ARG A 102 5.651 -8.958 -20.349 1.00 34.41 H new ATOM 0 HE ARG A 102 8.448 -8.540 -21.047 1.00 41.01 H new ATOM 0 HH11 ARG A 102 5.414 -10.043 -22.043 1.00 14.20 H new ATOM 0 HH12 ARG A 102 6.213 -11.295 -22.999 1.00 14.20 H new ATOM 0 HH21 ARG A 102 9.469 -10.151 -22.276 1.00 73.21 H new ATOM 0 HH22 ARG A 102 8.500 -11.356 -23.131 1.00 73.21 H new ATOM 1587 N THR A 103 7.205 -3.526 -20.221 1.00 34.01 N ATOM 1588 CA THR A 103 8.037 -2.903 -19.199 1.00 74.42 C ATOM 1589 C THR A 103 7.204 -2.027 -18.271 1.00 52.41 C ATOM 1590 O THR A 103 7.483 -1.930 -17.076 1.00 34.43 O ATOM 1591 CB THR A 103 9.154 -2.049 -19.828 1.00 72.40 C ATOM 1592 OG1 THR A 103 9.991 -1.506 -18.802 1.00 2.43 O ATOM 1593 CG2 THR A 103 8.567 -0.921 -20.662 1.00 44.43 C ATOM 0 H THR A 103 7.472 -3.297 -21.179 1.00 34.01 H new ATOM 0 HA THR A 103 8.488 -3.711 -18.623 1.00 74.42 H new ATOM 0 HB THR A 103 9.749 -2.689 -20.480 1.00 72.40 H new ATOM 0 HG1 THR A 103 10.780 -1.092 -19.209 1.00 2.43 H new ATOM 0 HG21 THR A 103 9.374 -0.331 -21.096 1.00 44.43 H new ATOM 0 HG22 THR A 103 7.954 -1.340 -21.460 1.00 44.43 H new ATOM 0 HG23 THR A 103 7.952 -0.282 -20.028 1.00 44.43 H new ATOM 1601 N PHE A 104 6.180 -1.389 -18.828 1.00 53.12 N ATOM 1602 CA PHE A 104 5.306 -0.519 -18.050 1.00 33.13 C ATOM 1603 C PHE A 104 4.588 -1.306 -16.957 1.00 73.54 C ATOM 1604 O PHE A 104 4.783 -1.057 -15.768 1.00 52.25 O ATOM 1605 CB PHE A 104 4.282 0.159 -18.962 1.00 54.11 C ATOM 1606 CG PHE A 104 3.208 0.896 -18.214 1.00 75.12 C ATOM 1607 CD1 PHE A 104 3.530 1.936 -17.357 1.00 63.23 C ATOM 1608 CD2 PHE A 104 1.875 0.548 -18.368 1.00 1.24 C ATOM 1609 CE1 PHE A 104 2.544 2.616 -16.668 1.00 3.22 C ATOM 1610 CE2 PHE A 104 0.885 1.225 -17.681 1.00 52.21 C ATOM 1611 CZ PHE A 104 1.220 2.260 -16.829 1.00 71.43 C ATOM 0 H PHE A 104 5.935 -1.458 -19.816 1.00 53.12 H new ATOM 0 HA PHE A 104 5.923 0.245 -17.578 1.00 33.13 H new ATOM 0 HB2 PHE A 104 4.799 0.857 -19.620 1.00 54.11 H new ATOM 0 HB3 PHE A 104 3.818 -0.595 -19.598 1.00 54.11 H new ATOM 0 HD1 PHE A 104 4.564 2.219 -17.226 1.00 63.23 H new ATOM 0 HD2 PHE A 104 1.607 -0.261 -19.032 1.00 1.24 H new ATOM 0 HE1 PHE A 104 2.809 3.425 -16.004 1.00 3.22 H new ATOM 0 HE2 PHE A 104 -0.150 0.945 -17.810 1.00 52.21 H new ATOM 0 HZ PHE A 104 0.448 2.789 -16.290 1.00 71.43 H new ATOM 1621 N GLU A 105 3.756 -2.258 -17.371 1.00 43.32 N ATOM 1622 CA GLU A 105 3.008 -3.081 -16.428 1.00 41.50 C ATOM 1623 C GLU A 105 3.952 -3.886 -15.540 1.00 45.40 C ATOM 1624 O GLU A 105 3.686 -4.091 -14.356 1.00 2.55 O ATOM 1625 CB GLU A 105 2.066 -4.025 -17.177 1.00 55.10 C ATOM 1626 CG GLU A 105 0.812 -3.345 -17.701 1.00 0.41 C ATOM 1627 CD GLU A 105 -0.181 -3.024 -16.601 1.00 1.34 C ATOM 1628 OE1 GLU A 105 -0.721 -3.973 -15.995 1.00 13.21 O ATOM 1629 OE2 GLU A 105 -0.418 -1.825 -16.345 1.00 44.45 O ATOM 0 H GLU A 105 3.584 -2.478 -18.352 1.00 43.32 H new ATOM 0 HA GLU A 105 2.419 -2.418 -15.795 1.00 41.50 H new ATOM 0 HB2 GLU A 105 2.603 -4.472 -18.013 1.00 55.10 H new ATOM 0 HB3 GLU A 105 1.777 -4.839 -16.512 1.00 55.10 H new ATOM 0 HG2 GLU A 105 1.090 -2.424 -18.214 1.00 0.41 H new ATOM 0 HG3 GLU A 105 0.335 -3.990 -18.439 1.00 0.41 H new ATOM 1636 N LYS A 106 5.057 -4.341 -16.121 1.00 44.41 N ATOM 1637 CA LYS A 106 6.043 -5.123 -15.385 1.00 2.13 C ATOM 1638 C LYS A 106 6.677 -4.292 -14.274 1.00 23.13 C ATOM 1639 O LYS A 106 6.802 -4.749 -13.137 1.00 51.03 O ATOM 1640 CB LYS A 106 7.128 -5.638 -16.334 1.00 11.25 C ATOM 1641 CG LYS A 106 6.705 -6.856 -17.137 1.00 4.25 C ATOM 1642 CD LYS A 106 6.970 -8.144 -16.376 1.00 32.42 C ATOM 1643 CE LYS A 106 8.242 -8.825 -16.858 1.00 33.22 C ATOM 1644 NZ LYS A 106 8.660 -9.927 -15.947 1.00 43.23 N ATOM 0 H LYS A 106 5.292 -4.181 -17.101 1.00 44.41 H new ATOM 0 HA LYS A 106 5.532 -5.973 -14.933 1.00 2.13 H new ATOM 0 HB2 LYS A 106 7.407 -4.839 -17.021 1.00 11.25 H new ATOM 0 HB3 LYS A 106 8.018 -5.886 -15.755 1.00 11.25 H new ATOM 0 HG2 LYS A 106 5.644 -6.785 -17.376 1.00 4.25 H new ATOM 0 HG3 LYS A 106 7.244 -6.874 -18.084 1.00 4.25 H new ATOM 0 HD2 LYS A 106 7.053 -7.928 -15.311 1.00 32.42 H new ATOM 0 HD3 LYS A 106 6.125 -8.821 -16.499 1.00 32.42 H new ATOM 0 HE2 LYS A 106 8.084 -9.223 -17.860 1.00 33.22 H new ATOM 0 HE3 LYS A 106 9.043 -8.089 -16.930 1.00 33.22 H new ATOM 0 HZ1 LYS A 106 9.530 -10.366 -16.310 1.00 43.23 H new ATOM 0 HZ2 LYS A 106 8.836 -9.544 -14.996 1.00 43.23 H new ATOM 0 HZ3 LYS A 106 7.906 -10.642 -15.898 1.00 43.23 H new ATOM 1658 N PHE A 107 7.075 -3.069 -14.609 1.00 62.31 N ATOM 1659 CA PHE A 107 7.696 -2.174 -13.639 1.00 70.53 C ATOM 1660 C PHE A 107 6.845 -2.065 -12.378 1.00 14.33 C ATOM 1661 O PHE A 107 7.350 -2.186 -11.262 1.00 42.14 O ATOM 1662 CB PHE A 107 7.901 -0.787 -14.252 1.00 23.52 C ATOM 1663 CG PHE A 107 9.325 -0.509 -14.640 1.00 41.43 C ATOM 1664 CD1 PHE A 107 9.986 -1.332 -15.538 1.00 2.33 C ATOM 1665 CD2 PHE A 107 10.002 0.577 -14.109 1.00 3.04 C ATOM 1666 CE1 PHE A 107 11.297 -1.078 -15.896 1.00 54.31 C ATOM 1667 CE2 PHE A 107 11.313 0.836 -14.464 1.00 13.43 C ATOM 1668 CZ PHE A 107 11.960 0.008 -15.359 1.00 43.35 C ATOM 0 H PHE A 107 6.979 -2.675 -15.545 1.00 62.31 H new ATOM 0 HA PHE A 107 8.666 -2.590 -13.366 1.00 70.53 H new ATOM 0 HB2 PHE A 107 7.267 -0.691 -15.133 1.00 23.52 H new ATOM 0 HB3 PHE A 107 7.573 -0.031 -13.539 1.00 23.52 H new ATOM 0 HD1 PHE A 107 9.471 -2.181 -15.963 1.00 2.33 H new ATOM 0 HD2 PHE A 107 9.500 1.229 -13.410 1.00 3.04 H new ATOM 0 HE1 PHE A 107 11.802 -1.728 -16.595 1.00 54.31 H new ATOM 0 HE2 PHE A 107 11.830 1.685 -14.042 1.00 13.43 H new ATOM 0 HZ PHE A 107 12.983 0.209 -15.639 1.00 43.35 H new ATOM 1678 N ALA A 108 5.549 -1.834 -12.564 1.00 1.13 N ATOM 1679 CA ALA A 108 4.627 -1.709 -11.442 1.00 74.10 C ATOM 1680 C ALA A 108 4.691 -2.936 -10.539 1.00 73.44 C ATOM 1681 O ALA A 108 4.766 -2.816 -9.317 1.00 22.10 O ATOM 1682 CB ALA A 108 3.207 -1.496 -11.947 1.00 62.41 C ATOM 0 H ALA A 108 5.114 -1.730 -13.481 1.00 1.13 H new ATOM 0 HA ALA A 108 4.926 -0.842 -10.853 1.00 74.10 H new ATOM 0 HB1 ALA A 108 2.529 -1.404 -11.098 1.00 62.41 H new ATOM 0 HB2 ALA A 108 3.166 -0.585 -12.544 1.00 62.41 H new ATOM 0 HB3 ALA A 108 2.908 -2.346 -12.560 1.00 62.41 H new ATOM 1688 N MET A 109 4.659 -4.116 -11.150 1.00 23.51 N ATOM 1689 CA MET A 109 4.714 -5.366 -10.400 1.00 63.11 C ATOM 1690 C MET A 109 5.994 -5.449 -9.574 1.00 43.34 C ATOM 1691 O MET A 109 5.963 -5.801 -8.396 1.00 74.22 O ATOM 1692 CB MET A 109 4.629 -6.561 -11.352 1.00 5.12 C ATOM 1693 CG MET A 109 4.137 -7.835 -10.685 1.00 71.11 C ATOM 1694 SD MET A 109 5.030 -9.300 -11.240 1.00 43.42 S ATOM 1695 CE MET A 109 3.729 -10.529 -11.191 1.00 54.04 C ATOM 0 H MET A 109 4.595 -4.233 -12.161 1.00 23.51 H new ATOM 0 HA MET A 109 3.862 -5.391 -9.720 1.00 63.11 H new ATOM 0 HB2 MET A 109 3.962 -6.311 -12.177 1.00 5.12 H new ATOM 0 HB3 MET A 109 5.614 -6.743 -11.783 1.00 5.12 H new ATOM 0 HG2 MET A 109 4.242 -7.738 -9.604 1.00 71.11 H new ATOM 0 HG3 MET A 109 3.074 -7.962 -10.892 1.00 71.11 H new ATOM 0 HE1 MET A 109 4.127 -11.493 -11.509 1.00 54.04 H new ATOM 0 HE2 MET A 109 3.345 -10.612 -10.174 1.00 54.04 H new ATOM 0 HE3 MET A 109 2.922 -10.231 -11.860 1.00 54.04 H new ATOM 1705 N GLY A 110 7.120 -5.121 -10.201 1.00 62.55 N ATOM 1706 CA GLY A 110 8.395 -5.166 -9.509 1.00 52.01 C ATOM 1707 C GLY A 110 8.396 -4.334 -8.242 1.00 53.21 C ATOM 1708 O GLY A 110 9.040 -4.691 -7.256 1.00 5.21 O ATOM 0 H GLY A 110 7.172 -4.825 -11.176 1.00 62.55 H new ATOM 0 HA2 GLY A 110 8.634 -6.200 -9.261 1.00 52.01 H new ATOM 0 HA3 GLY A 110 9.180 -4.808 -10.176 1.00 52.01 H new ATOM 1712 N LYS A 111 7.673 -3.219 -8.268 1.00 34.43 N ATOM 1713 CA LYS A 111 7.592 -2.333 -7.113 1.00 52.51 C ATOM 1714 C LYS A 111 6.843 -3.001 -5.965 1.00 24.44 C ATOM 1715 O LYS A 111 7.214 -2.853 -4.800 1.00 3.41 O ATOM 1716 CB LYS A 111 6.896 -1.025 -7.496 1.00 55.35 C ATOM 1717 CG LYS A 111 7.174 0.117 -6.535 1.00 5.42 C ATOM 1718 CD LYS A 111 5.898 0.847 -6.151 1.00 3.23 C ATOM 1719 CE LYS A 111 5.443 0.473 -4.749 1.00 12.05 C ATOM 1720 NZ LYS A 111 4.458 -0.644 -4.765 1.00 12.31 N ATOM 0 H LYS A 111 7.135 -2.908 -9.077 1.00 34.43 H new ATOM 0 HA LYS A 111 8.608 -2.115 -6.783 1.00 52.51 H new ATOM 0 HB2 LYS A 111 7.216 -0.733 -8.496 1.00 55.35 H new ATOM 0 HB3 LYS A 111 5.820 -1.196 -7.542 1.00 55.35 H new ATOM 0 HG2 LYS A 111 7.656 -0.271 -5.638 1.00 5.42 H new ATOM 0 HG3 LYS A 111 7.871 0.818 -6.994 1.00 5.42 H new ATOM 0 HD2 LYS A 111 6.062 1.923 -6.206 1.00 3.23 H new ATOM 0 HD3 LYS A 111 5.111 0.607 -6.866 1.00 3.23 H new ATOM 0 HE2 LYS A 111 6.308 0.186 -4.151 1.00 12.05 H new ATOM 0 HE3 LYS A 111 4.997 1.343 -4.268 1.00 12.05 H new ATOM 0 HZ1 LYS A 111 3.913 -0.639 -3.879 1.00 12.31 H new ATOM 0 HZ2 LYS A 111 3.811 -0.524 -5.570 1.00 12.31 H new ATOM 0 HZ3 LYS A 111 4.961 -1.549 -4.857 1.00 12.31 H new ATOM 1734 N ILE A 112 5.790 -3.739 -6.300 1.00 43.35 N ATOM 1735 CA ILE A 112 4.992 -4.432 -5.297 1.00 25.12 C ATOM 1736 C ILE A 112 5.855 -5.373 -4.463 1.00 21.21 C ATOM 1737 O ILE A 112 5.774 -5.381 -3.234 1.00 45.04 O ATOM 1738 CB ILE A 112 3.851 -5.238 -5.944 1.00 33.32 C ATOM 1739 CG1 ILE A 112 3.048 -4.352 -6.898 1.00 45.35 C ATOM 1740 CG2 ILE A 112 2.945 -5.828 -4.873 1.00 3.55 C ATOM 1741 CD1 ILE A 112 2.508 -3.098 -6.248 1.00 13.30 C ATOM 0 H ILE A 112 5.470 -3.872 -7.259 1.00 43.35 H new ATOM 0 HA ILE A 112 4.563 -3.666 -4.650 1.00 25.12 H new ATOM 0 HB ILE A 112 4.285 -6.057 -6.517 1.00 33.32 H new ATOM 0 HG12 ILE A 112 3.681 -4.071 -7.740 1.00 45.35 H new ATOM 0 HG13 ILE A 112 2.216 -4.929 -7.303 1.00 45.35 H new ATOM 0 HG21 ILE A 112 2.143 -6.395 -5.346 1.00 3.55 H new ATOM 0 HG22 ILE A 112 3.525 -6.489 -4.229 1.00 3.55 H new ATOM 0 HG23 ILE A 112 2.516 -5.023 -4.275 1.00 3.55 H new ATOM 0 HD11 ILE A 112 1.950 -2.519 -6.983 1.00 13.30 H new ATOM 0 HD12 ILE A 112 1.849 -3.370 -5.424 1.00 13.30 H new ATOM 0 HD13 ILE A 112 3.336 -2.500 -5.868 1.00 13.30 H new ATOM 1753 N ASP A 113 6.681 -6.164 -5.139 1.00 24.15 N ATOM 1754 CA ASP A 113 7.562 -7.108 -4.460 1.00 42.31 C ATOM 1755 C ASP A 113 8.499 -6.382 -3.500 1.00 23.25 C ATOM 1756 O ASP A 113 8.645 -6.776 -2.343 1.00 32.12 O ATOM 1757 CB ASP A 113 8.376 -7.904 -5.482 1.00 35.03 C ATOM 1758 CG ASP A 113 7.643 -9.139 -5.969 1.00 24.03 C ATOM 1759 OD1 ASP A 113 7.196 -9.937 -5.119 1.00 14.53 O ATOM 1760 OD2 ASP A 113 7.519 -9.309 -7.200 1.00 10.40 O ATOM 0 H ASP A 113 6.759 -6.171 -6.156 1.00 24.15 H new ATOM 0 HA ASP A 113 6.943 -7.796 -3.885 1.00 42.31 H new ATOM 0 HB2 ASP A 113 8.610 -7.265 -6.333 1.00 35.03 H new ATOM 0 HB3 ASP A 113 9.325 -8.201 -5.035 1.00 35.03 H new ATOM 1765 N ALA A 114 9.133 -5.321 -3.988 1.00 22.12 N ATOM 1766 CA ALA A 114 10.055 -4.540 -3.173 1.00 24.33 C ATOM 1767 C ALA A 114 9.345 -3.936 -1.966 1.00 22.52 C ATOM 1768 O ALA A 114 9.893 -3.903 -0.864 1.00 1.33 O ATOM 1769 CB ALA A 114 10.702 -3.446 -4.009 1.00 2.01 C ATOM 0 H ALA A 114 9.025 -4.983 -4.944 1.00 22.12 H new ATOM 0 HA ALA A 114 10.833 -5.210 -2.806 1.00 24.33 H new ATOM 0 HB1 ALA A 114 11.388 -2.871 -3.387 1.00 2.01 H new ATOM 0 HB2 ALA A 114 11.252 -3.897 -4.835 1.00 2.01 H new ATOM 0 HB3 ALA A 114 9.930 -2.786 -4.404 1.00 2.01 H new ATOM 1775 N TYR A 115 8.124 -3.460 -2.181 1.00 60.33 N ATOM 1776 CA TYR A 115 7.340 -2.855 -1.111 1.00 41.44 C ATOM 1777 C TYR A 115 7.271 -3.777 0.102 1.00 12.42 C ATOM 1778 O TYR A 115 7.458 -3.340 1.238 1.00 24.33 O ATOM 1779 CB TYR A 115 5.928 -2.534 -1.604 1.00 32.51 C ATOM 1780 CG TYR A 115 4.976 -2.138 -0.498 1.00 2.11 C ATOM 1781 CD1 TYR A 115 5.391 -1.311 0.539 1.00 42.02 C ATOM 1782 CD2 TYR A 115 3.663 -2.591 -0.489 1.00 13.31 C ATOM 1783 CE1 TYR A 115 4.526 -0.946 1.552 1.00 75.51 C ATOM 1784 CE2 TYR A 115 2.790 -2.230 0.519 1.00 31.12 C ATOM 1785 CZ TYR A 115 3.226 -1.408 1.537 1.00 31.14 C ATOM 1786 OH TYR A 115 2.360 -1.048 2.544 1.00 12.12 O ATOM 0 H TYR A 115 7.655 -3.481 -3.087 1.00 60.33 H new ATOM 0 HA TYR A 115 7.832 -1.929 -0.813 1.00 41.44 H new ATOM 0 HB2 TYR A 115 5.982 -1.725 -2.333 1.00 32.51 H new ATOM 0 HB3 TYR A 115 5.527 -3.404 -2.123 1.00 32.51 H new ATOM 0 HD1 TYR A 115 6.408 -0.947 0.553 1.00 42.02 H new ATOM 0 HD2 TYR A 115 3.319 -3.236 -1.284 1.00 13.31 H new ATOM 0 HE1 TYR A 115 4.865 -0.303 2.351 1.00 75.51 H new ATOM 0 HE2 TYR A 115 1.772 -2.590 0.510 1.00 31.12 H new ATOM 0 HH TYR A 115 2.031 -0.139 2.383 1.00 12.12 H new ATOM 1796 N ILE A 116 7.001 -5.053 -0.148 1.00 33.33 N ATOM 1797 CA ILE A 116 6.908 -6.038 0.923 1.00 2.22 C ATOM 1798 C ILE A 116 8.255 -6.228 1.613 1.00 12.31 C ATOM 1799 O ILE A 116 8.320 -6.426 2.826 1.00 32.22 O ATOM 1800 CB ILE A 116 6.418 -7.399 0.396 1.00 71.14 C ATOM 1801 CG1 ILE A 116 5.060 -7.245 -0.293 1.00 1.13 C ATOM 1802 CG2 ILE A 116 6.330 -8.407 1.532 1.00 64.13 C ATOM 1803 CD1 ILE A 116 5.006 -7.871 -1.669 1.00 14.13 C ATOM 0 H ILE A 116 6.843 -5.430 -1.083 1.00 33.33 H new ATOM 0 HA ILE A 116 6.184 -5.655 1.642 1.00 2.22 H new ATOM 0 HB ILE A 116 7.136 -7.768 -0.336 1.00 71.14 H new ATOM 0 HG12 ILE A 116 4.291 -7.697 0.333 1.00 1.13 H new ATOM 0 HG13 ILE A 116 4.822 -6.185 -0.376 1.00 1.13 H new ATOM 0 HG21 ILE A 116 5.982 -9.364 1.143 1.00 64.13 H new ATOM 0 HG22 ILE A 116 7.314 -8.535 1.982 1.00 64.13 H new ATOM 0 HG23 ILE A 116 5.630 -8.046 2.286 1.00 64.13 H new ATOM 0 HD11 ILE A 116 4.015 -7.724 -2.097 1.00 14.13 H new ATOM 0 HD12 ILE A 116 5.752 -7.403 -2.311 1.00 14.13 H new ATOM 0 HD13 ILE A 116 5.213 -8.938 -1.591 1.00 14.13 H new ATOM 1815 N SER A 117 9.328 -6.164 0.832 1.00 41.43 N ATOM 1816 CA SER A 117 10.674 -6.330 1.367 1.00 63.51 C ATOM 1817 C SER A 117 10.983 -5.257 2.406 1.00 53.31 C ATOM 1818 O SER A 117 11.580 -5.537 3.444 1.00 24.34 O ATOM 1819 CB SER A 117 11.705 -6.275 0.238 1.00 43.00 C ATOM 1820 OG SER A 117 12.704 -7.265 0.411 1.00 43.04 O ATOM 0 H SER A 117 9.292 -5.998 -0.174 1.00 41.43 H new ATOM 0 HA SER A 117 10.727 -7.305 1.851 1.00 63.51 H new ATOM 0 HB2 SER A 117 11.207 -6.420 -0.721 1.00 43.00 H new ATOM 0 HB3 SER A 117 12.167 -5.288 0.211 1.00 43.00 H new ATOM 0 HG SER A 117 13.350 -7.210 -0.324 1.00 43.04 H new ATOM 1826 N GLN A 118 10.570 -4.027 2.117 1.00 43.32 N ATOM 1827 CA GLN A 118 10.803 -2.910 3.025 1.00 21.24 C ATOM 1828 C GLN A 118 9.501 -2.461 3.680 1.00 1.04 C ATOM 1829 O GLN A 118 8.954 -1.411 3.343 1.00 0.25 O ATOM 1830 CB GLN A 118 11.441 -1.740 2.276 1.00 40.55 C ATOM 1831 CG GLN A 118 10.687 -1.340 1.017 1.00 3.34 C ATOM 1832 CD GLN A 118 11.537 -1.455 -0.233 1.00 54.41 C ATOM 1833 OE1 GLN A 118 11.558 -0.550 -1.068 1.00 73.24 O ATOM 1834 NE2 GLN A 118 12.243 -2.571 -0.369 1.00 2.44 N ATOM 0 H GLN A 118 10.073 -3.779 1.262 1.00 43.32 H new ATOM 0 HA GLN A 118 11.485 -3.246 3.806 1.00 21.24 H new ATOM 0 HB2 GLN A 118 11.499 -0.880 2.944 1.00 40.55 H new ATOM 0 HB3 GLN A 118 12.464 -2.005 2.008 1.00 40.55 H new ATOM 0 HG2 GLN A 118 9.804 -1.971 0.911 1.00 3.34 H new ATOM 0 HG3 GLN A 118 10.335 -0.313 1.119 1.00 3.34 H new ATOM 0 HE21 GLN A 118 12.196 -3.295 0.348 1.00 2.44 H new ATOM 0 HE22 GLN A 118 12.833 -2.704 -1.190 1.00 2.44 H new ATOM 1843 N LYS A 119 9.009 -3.263 4.618 1.00 30.24 N ATOM 1844 CA LYS A 119 7.771 -2.949 5.322 1.00 5.14 C ATOM 1845 C LYS A 119 8.020 -2.799 6.820 1.00 64.12 C ATOM 1846 O LYS A 119 7.169 -2.297 7.554 1.00 72.33 O ATOM 1847 CB LYS A 119 6.728 -4.041 5.075 1.00 42.23 C ATOM 1848 CG LYS A 119 5.306 -3.514 4.983 1.00 25.25 C ATOM 1849 CD LYS A 119 4.384 -4.514 4.307 1.00 72.02 C ATOM 1850 CE LYS A 119 3.121 -3.844 3.787 1.00 20.12 C ATOM 1851 NZ LYS A 119 1.890 -4.519 4.284 1.00 23.04 N ATOM 0 H LYS A 119 9.449 -4.136 4.909 1.00 30.24 H new ATOM 0 HA LYS A 119 7.394 -2.001 4.937 1.00 5.14 H new ATOM 0 HB2 LYS A 119 6.973 -4.564 4.151 1.00 42.23 H new ATOM 0 HB3 LYS A 119 6.784 -4.774 5.880 1.00 42.23 H new ATOM 0 HG2 LYS A 119 4.934 -3.293 5.983 1.00 25.25 H new ATOM 0 HG3 LYS A 119 5.299 -2.577 4.426 1.00 25.25 H new ATOM 0 HD2 LYS A 119 4.909 -4.994 3.481 1.00 72.02 H new ATOM 0 HD3 LYS A 119 4.116 -5.299 5.014 1.00 72.02 H new ATOM 0 HE2 LYS A 119 3.111 -2.798 4.095 1.00 20.12 H new ATOM 0 HE3 LYS A 119 3.126 -3.855 2.697 1.00 20.12 H new ATOM 0 HZ1 LYS A 119 1.051 -4.033 3.907 1.00 23.04 H new ATOM 0 HZ2 LYS A 119 1.886 -5.510 3.969 1.00 23.04 H new ATOM 0 HZ3 LYS A 119 1.872 -4.486 5.323 1.00 23.04 H new ATOM 1865 N VAL A 120 9.193 -3.236 7.267 1.00 64.41 N ATOM 1866 CA VAL A 120 9.555 -3.148 8.677 1.00 63.55 C ATOM 1867 C VAL A 120 9.726 -1.697 9.111 1.00 61.05 C ATOM 1868 O VAL A 120 9.618 -1.375 10.293 1.00 41.21 O ATOM 1869 CB VAL A 120 10.857 -3.917 8.971 1.00 70.42 C ATOM 1870 CG1 VAL A 120 12.043 -3.235 8.306 1.00 54.21 C ATOM 1871 CG2 VAL A 120 11.075 -4.041 10.471 1.00 11.43 C ATOM 0 H VAL A 120 9.909 -3.655 6.673 1.00 64.41 H new ATOM 0 HA VAL A 120 8.739 -3.599 9.242 1.00 63.55 H new ATOM 0 HB VAL A 120 10.767 -4.921 8.556 1.00 70.42 H new ATOM 0 HG11 VAL A 120 12.953 -3.793 8.525 1.00 54.21 H new ATOM 0 HG12 VAL A 120 11.887 -3.204 7.228 1.00 54.21 H new ATOM 0 HG13 VAL A 120 12.139 -2.219 8.688 1.00 54.21 H new ATOM 0 HG21 VAL A 120 11.999 -4.587 10.660 1.00 11.43 H new ATOM 0 HG22 VAL A 120 11.144 -3.047 10.912 1.00 11.43 H new ATOM 0 HG23 VAL A 120 10.238 -4.578 10.917 1.00 11.43 H new ATOM 1881 N GLY A 121 9.993 -0.824 8.144 1.00 3.53 N ATOM 1882 CA GLY A 121 10.175 0.584 8.446 1.00 14.33 C ATOM 1883 C GLY A 121 10.707 1.367 7.263 1.00 43.33 C ATOM 1884 O GLY A 121 11.793 1.942 7.328 1.00 62.24 O ATOM 0 H GLY A 121 10.086 -1.067 7.158 1.00 3.53 H new ATOM 0 HA2 GLY A 121 9.223 1.011 8.761 1.00 14.33 H new ATOM 0 HA3 GLY A 121 10.864 0.686 9.285 1.00 14.33 H new ATOM 1888 N GLY A 122 9.941 1.389 6.176 1.00 2.21 N ATOM 1889 CA GLY A 122 10.360 2.109 4.988 1.00 61.35 C ATOM 1890 C GLY A 122 9.187 2.597 4.161 1.00 34.35 C ATOM 1891 O GLY A 122 9.117 3.773 3.801 1.00 24.44 O ATOM 0 H GLY A 122 9.038 0.921 6.097 1.00 2.21 H new ATOM 0 HA2 GLY A 122 10.973 2.961 5.281 1.00 61.35 H new ATOM 0 HA3 GLY A 122 10.987 1.460 4.376 1.00 61.35 H new ATOM 1895 N LEU A 123 8.262 1.692 3.858 1.00 11.45 N ATOM 1896 CA LEU A 123 7.085 2.037 3.068 1.00 64.45 C ATOM 1897 C LEU A 123 5.805 1.763 3.849 1.00 35.52 C ATOM 1898 O LEU A 123 4.726 2.220 3.472 1.00 64.25 O ATOM 1899 CB LEU A 123 7.077 1.245 1.759 1.00 71.13 C ATOM 1900 CG LEU A 123 8.200 1.567 0.772 1.00 23.55 C ATOM 1901 CD1 LEU A 123 8.011 0.793 -0.523 1.00 52.22 C ATOM 1902 CD2 LEU A 123 8.258 3.062 0.499 1.00 1.53 C ATOM 0 H LEU A 123 8.304 0.715 4.147 1.00 11.45 H new ATOM 0 HA LEU A 123 7.129 3.102 2.842 1.00 64.45 H new ATOM 0 HB2 LEU A 123 7.126 0.183 2.000 1.00 71.13 H new ATOM 0 HB3 LEU A 123 6.123 1.415 1.261 1.00 71.13 H new ATOM 0 HG LEU A 123 9.147 1.263 1.217 1.00 23.55 H new ATOM 0 HD11 LEU A 123 8.819 1.035 -1.213 1.00 52.22 H new ATOM 0 HD12 LEU A 123 8.022 -0.276 -0.313 1.00 52.22 H new ATOM 0 HD13 LEU A 123 7.056 1.065 -0.973 1.00 52.22 H new ATOM 0 HD21 LEU A 123 9.063 3.272 -0.205 1.00 1.53 H new ATOM 0 HD22 LEU A 123 7.309 3.391 0.075 1.00 1.53 H new ATOM 0 HD23 LEU A 123 8.443 3.595 1.431 1.00 1.53 H new ATOM 1914 N GLU A 124 5.932 1.015 4.941 1.00 1.22 N ATOM 1915 CA GLU A 124 4.784 0.682 5.776 1.00 2.04 C ATOM 1916 C GLU A 124 4.165 1.941 6.378 1.00 63.43 C ATOM 1917 O GLU A 124 4.644 2.458 7.386 1.00 34.04 O ATOM 1918 CB GLU A 124 5.199 -0.279 6.893 1.00 42.24 C ATOM 1919 CG GLU A 124 4.118 -0.502 7.937 1.00 3.50 C ATOM 1920 CD GLU A 124 4.363 0.289 9.208 1.00 62.23 C ATOM 1921 OE1 GLU A 124 5.432 0.100 9.826 1.00 13.14 O ATOM 1922 OE2 GLU A 124 3.487 1.095 9.584 1.00 42.33 O ATOM 0 H GLU A 124 6.818 0.629 5.268 1.00 1.22 H new ATOM 0 HA GLU A 124 4.038 0.196 5.146 1.00 2.04 H new ATOM 0 HB2 GLU A 124 5.471 -1.238 6.453 1.00 42.24 H new ATOM 0 HB3 GLU A 124 6.091 0.111 7.383 1.00 42.24 H new ATOM 0 HG2 GLU A 124 3.151 -0.221 7.519 1.00 3.50 H new ATOM 0 HG3 GLU A 124 4.065 -1.564 8.179 1.00 3.50 H new TER 1929 GLU A 124