USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 972 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 54 ASN : amide:sc= -0.0645 X(o=-0.81,f=-1.1) USER MOD Set 1.2: A 64 TYR OH : rot -110:sc= -0.742 USER MOD Set 2.1: A 9 ASN : amide:sc= 0.929 K(o=2.1,f=-2.4!) USER MOD Set 2.2: A 10 CYS SG : rot 51:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0959 (180deg=-0.484) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.455 (180deg=0.183) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -0.0154 (180deg=-0.189) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 6 GLN : amide:sc= -0.388 K(o=-0.39,f=-5!) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.083 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 130:sc= 0.0051 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -178:sc= -3.22! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 0.431 (180deg=-0.513) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.0057) USER MOD Single : A 35 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.0063) USER MOD Single : A 36 THR OG1 : rot -34:sc= 1.09 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.974 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= 0.653 (180deg=0.295) USER MOD Single : A 44 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0331 F(o=-1.9!,f=-0.033) USER MOD Single : A 49 THR OG1 : rot -62:sc= 1.27 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.225 (180deg=-0.34) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 THR OG1 : rot 73:sc= 0.771 USER MOD Single : A 60 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= -1.79! (180deg=-1.87!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00919) USER MOD Single : A 74 GLN : amide:sc= -0.543 K(o=-0.54,f=-1.8) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -176:sc= 0.45 (180deg=0.443) USER MOD Single : A 86 SER OG : rot 78:sc= 0.92 USER MOD Single : A 87 SER OG : rot 72:sc= 1.16 USER MOD Single : A 90 MET CE :methyl 140:sc= -3.49! (180deg=-6.18!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -133:sc= -0.0733 (180deg=-1.42!) USER MOD Single : A 102 LYS NZ :NH3+ -171:sc=-0.00242 (180deg=-0.112) USER MOD Single : A 104 THR OG1 : rot 110:sc= -0.132 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.14) USER MOD Single : A 112 TYR OH : rot 58:sc= 0.394 USER MOD Single : A 113 LYS NZ :NH3+ 178:sc= 0.486 (180deg=0.485) USER MOD Single : A 115 THR OG1 : rot 87:sc= 0.687 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.035 -0.246 1.044 1.00 0.00 N ATOM 2 CA MET A 1 2.267 -0.343 -0.421 1.00 0.00 C ATOM 3 C MET A 1 3.367 -1.389 -0.711 1.00 0.00 C ATOM 4 O MET A 1 3.631 -2.233 0.151 1.00 0.00 O ATOM 5 CB MET A 1 2.600 1.069 -0.986 1.00 0.00 C ATOM 6 CG MET A 1 3.815 1.759 -0.354 1.00 0.00 C ATOM 7 SD MET A 1 4.019 3.477 -0.887 1.00 0.00 S ATOM 8 CE MET A 1 2.563 4.266 -0.194 1.00 0.00 C ATOM 0 H1 MET A 1 1.539 0.642 1.259 1.00 0.00 H new ATOM 0 H2 MET A 1 1.456 -1.051 1.358 1.00 0.00 H new ATOM 0 H3 MET A 1 2.948 -0.262 1.542 1.00 0.00 H new ATOM 0 HA MET A 1 1.367 -0.688 -0.930 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.770 0.982 -2.059 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.729 1.710 -0.852 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.716 1.732 0.731 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.715 1.198 -0.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.721 5.344 -0.147 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.699 4.053 -0.824 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.384 3.882 0.810 1.00 0.00 H new ATOM 18 N ILE A 2 3.961 -1.369 -1.938 1.00 0.00 N ATOM 19 CA ILE A 2 5.058 -2.298 -2.324 1.00 0.00 C ATOM 20 C ILE A 2 6.211 -2.224 -1.305 1.00 0.00 C ATOM 21 O ILE A 2 6.954 -1.247 -1.277 1.00 0.00 O ATOM 22 CB ILE A 2 5.602 -1.994 -3.779 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.451 -2.145 -4.829 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.820 -2.896 -4.141 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.804 -1.702 -6.239 1.00 0.00 C ATOM 0 H ILE A 2 3.696 -0.717 -2.677 1.00 0.00 H new ATOM 0 HA ILE A 2 4.644 -3.306 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 2 5.955 -0.963 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.143 -3.190 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.591 -1.569 -4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.164 -2.657 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.627 -2.720 -3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.522 -3.944 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.943 -1.845 -6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.081 -0.648 -6.230 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.641 -2.295 -6.608 1.00 0.00 H new ATOM 37 N LYS A 3 6.302 -3.260 -0.461 1.00 0.00 N ATOM 38 CA LYS A 3 7.224 -3.318 0.689 1.00 0.00 C ATOM 39 C LYS A 3 8.688 -3.341 0.215 1.00 0.00 C ATOM 40 O LYS A 3 9.261 -4.407 -0.036 1.00 0.00 O ATOM 41 CB LYS A 3 6.918 -4.571 1.548 1.00 0.00 C ATOM 42 CG LYS A 3 5.430 -4.778 1.877 1.00 0.00 C ATOM 43 CD LYS A 3 4.862 -3.731 2.853 1.00 0.00 C ATOM 44 CE LYS A 3 3.389 -4.004 3.200 1.00 0.00 C ATOM 45 NZ LYS A 3 3.200 -5.335 3.845 1.00 0.00 N ATOM 0 H LYS A 3 5.728 -4.098 -0.557 1.00 0.00 H new ATOM 0 HA LYS A 3 7.077 -2.425 1.296 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.286 -5.453 1.024 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.476 -4.500 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.855 -4.749 0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.296 -5.771 2.305 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.455 -3.729 3.767 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.952 -2.738 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.024 -3.223 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.788 -3.953 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.235 -5.401 4.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.345 -6.086 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.888 -5.447 4.617 1.00 0.00 H new ATOM 59 N PHE A 4 9.262 -2.150 0.068 1.00 0.00 N ATOM 60 CA PHE A 4 10.640 -1.979 -0.400 1.00 0.00 C ATOM 61 C PHE A 4 11.586 -2.084 0.806 1.00 0.00 C ATOM 62 O PHE A 4 11.721 -1.143 1.581 1.00 0.00 O ATOM 63 CB PHE A 4 10.793 -0.619 -1.139 1.00 0.00 C ATOM 64 CG PHE A 4 12.213 -0.340 -1.632 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.780 -1.127 -2.630 1.00 0.00 C ATOM 66 CD2 PHE A 4 12.984 0.686 -1.084 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.065 -0.899 -3.067 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.273 0.910 -1.522 1.00 0.00 C ATOM 69 CZ PHE A 4 14.811 0.119 -2.516 1.00 0.00 C ATOM 0 H PHE A 4 8.785 -1.271 0.270 1.00 0.00 H new ATOM 0 HA PHE A 4 10.897 -2.761 -1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.113 -0.600 -1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.487 0.184 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.203 -1.928 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.567 1.312 -0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.489 -1.519 -3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.861 1.705 -1.087 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.818 0.298 -2.862 1.00 0.00 H new ATOM 79 N TYR A 5 12.182 -3.261 0.984 1.00 0.00 N ATOM 80 CA TYR A 5 13.155 -3.501 2.051 1.00 0.00 C ATOM 81 C TYR A 5 14.551 -3.068 1.584 1.00 0.00 C ATOM 82 O TYR A 5 15.007 -3.484 0.509 1.00 0.00 O ATOM 83 CB TYR A 5 13.130 -4.986 2.455 1.00 0.00 C ATOM 84 CG TYR A 5 11.875 -5.378 3.256 1.00 0.00 C ATOM 85 CD1 TYR A 5 11.855 -5.282 4.648 1.00 0.00 C ATOM 86 CD2 TYR A 5 10.729 -5.860 2.626 1.00 0.00 C ATOM 87 CE1 TYR A 5 10.742 -5.639 5.373 1.00 0.00 C ATOM 88 CE2 TYR A 5 9.615 -6.221 3.351 1.00 0.00 C ATOM 89 CZ TYR A 5 9.632 -6.120 4.720 1.00 0.00 C ATOM 90 OH TYR A 5 8.520 -6.482 5.441 1.00 0.00 O ATOM 0 H TYR A 5 12.006 -4.075 0.395 1.00 0.00 H new ATOM 0 HA TYR A 5 12.894 -2.910 2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.186 -5.601 1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.016 -5.209 3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.731 -4.920 5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.714 -5.952 1.550 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.740 -5.542 6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.732 -6.582 2.845 1.00 0.00 H new ATOM 0 HH TYR A 5 7.823 -6.800 4.830 1.00 0.00 H new ATOM 100 N GLN A 6 15.204 -2.215 2.388 1.00 0.00 N ATOM 101 CA GLN A 6 16.564 -1.716 2.106 1.00 0.00 C ATOM 102 C GLN A 6 17.310 -1.468 3.422 1.00 0.00 C ATOM 103 O GLN A 6 16.781 -1.740 4.492 1.00 0.00 O ATOM 104 CB GLN A 6 16.510 -0.426 1.230 1.00 0.00 C ATOM 105 CG GLN A 6 16.208 0.897 1.982 1.00 0.00 C ATOM 106 CD GLN A 6 14.831 0.957 2.634 1.00 0.00 C ATOM 107 OE1 GLN A 6 13.869 0.407 2.129 1.00 0.00 O ATOM 108 NE2 GLN A 6 14.745 1.591 3.788 1.00 0.00 N ATOM 0 H GLN A 6 14.806 -1.850 3.253 1.00 0.00 H new ATOM 0 HA GLN A 6 17.109 -2.471 1.539 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.466 -0.319 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 6 15.750 -0.565 0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 6 16.966 1.043 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 6 16.300 1.727 1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.569 2.042 4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.854 1.630 4.283 1.00 0.00 H new ATOM 117 N TYR A 7 18.545 -0.950 3.343 1.00 0.00 N ATOM 118 CA TYR A 7 19.305 -0.553 4.535 1.00 0.00 C ATOM 119 C TYR A 7 20.314 0.542 4.171 1.00 0.00 C ATOM 120 O TYR A 7 21.186 0.314 3.322 1.00 0.00 O ATOM 121 CB TYR A 7 20.017 -1.777 5.169 1.00 0.00 C ATOM 122 CG TYR A 7 20.642 -1.498 6.547 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.906 -0.846 7.545 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.946 -1.894 6.858 1.00 0.00 C ATOM 125 CE1 TYR A 7 20.445 -0.606 8.791 1.00 0.00 C ATOM 126 CE2 TYR A 7 22.485 -1.654 8.105 1.00 0.00 C ATOM 127 CZ TYR A 7 21.734 -1.010 9.063 1.00 0.00 C ATOM 128 OH TYR A 7 22.272 -0.778 10.306 1.00 0.00 O ATOM 0 H TYR A 7 19.038 -0.797 2.464 1.00 0.00 H new ATOM 0 HA TYR A 7 18.612 -0.154 5.276 1.00 0.00 H new ATOM 0 HB2 TYR A 7 19.299 -2.591 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.798 -2.120 4.491 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.897 -0.525 7.334 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.541 -2.396 6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.861 -0.105 9.549 1.00 0.00 H new ATOM 0 HE2 TYR A 7 23.493 -1.970 8.329 1.00 0.00 H new ATOM 0 HH TYR A 7 23.188 -1.124 10.336 1.00 0.00 H new ATOM 138 N LYS A 8 20.146 1.732 4.801 1.00 0.00 N ATOM 139 CA LYS A 8 21.048 2.906 4.657 1.00 0.00 C ATOM 140 C LYS A 8 21.144 3.415 3.196 1.00 0.00 C ATOM 141 O LYS A 8 20.406 2.959 2.316 1.00 0.00 O ATOM 142 CB LYS A 8 22.458 2.590 5.253 1.00 0.00 C ATOM 143 CG LYS A 8 22.455 2.383 6.786 1.00 0.00 C ATOM 144 CD LYS A 8 23.848 2.020 7.353 1.00 0.00 C ATOM 145 CE LYS A 8 23.866 1.982 8.898 1.00 0.00 C ATOM 146 NZ LYS A 8 25.195 1.584 9.439 1.00 0.00 N ATOM 0 H LYS A 8 19.366 1.907 5.435 1.00 0.00 H new ATOM 0 HA LYS A 8 20.608 3.723 5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.851 1.693 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.137 3.406 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.099 3.293 7.269 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.749 1.591 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.153 1.048 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.580 2.747 7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.598 2.965 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.108 1.282 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.158 1.573 10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.441 0.635 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.916 2.265 9.126 1.00 0.00 H new ATOM 160 N ASN A 9 22.025 4.410 2.964 1.00 0.00 N ATOM 161 CA ASN A 9 22.319 4.934 1.611 1.00 0.00 C ATOM 162 C ASN A 9 23.537 4.199 1.008 1.00 0.00 C ATOM 163 O ASN A 9 24.053 3.245 1.609 1.00 0.00 O ATOM 164 CB ASN A 9 22.538 6.479 1.654 1.00 0.00 C ATOM 165 CG ASN A 9 23.804 6.914 2.408 1.00 0.00 C ATOM 166 OD1 ASN A 9 24.867 7.076 1.817 1.00 0.00 O ATOM 167 ND2 ASN A 9 23.699 7.114 3.712 1.00 0.00 N ATOM 0 H ASN A 9 22.552 4.872 3.705 1.00 0.00 H new ATOM 0 HA ASN A 9 21.462 4.746 0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 9 22.589 6.856 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.671 6.945 2.123 1.00 0.00 H new ATOM 0 HD21 ASN A 9 24.514 7.410 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 9 22.803 6.972 4.179 1.00 0.00 H new ATOM 174 N CYS A 10 23.944 4.628 -0.210 1.00 0.00 N ATOM 175 CA CYS A 10 25.107 4.073 -0.955 1.00 0.00 C ATOM 176 C CYS A 10 24.917 2.595 -1.373 1.00 0.00 C ATOM 177 O CYS A 10 25.864 1.945 -1.822 1.00 0.00 O ATOM 178 CB CYS A 10 26.426 4.263 -0.156 1.00 0.00 C ATOM 179 SG CYS A 10 26.907 5.987 0.077 1.00 0.00 S ATOM 0 H CYS A 10 23.470 5.379 -0.712 1.00 0.00 H new ATOM 0 HA CYS A 10 25.176 4.645 -1.881 1.00 0.00 H new ATOM 0 HB2 CYS A 10 26.317 3.793 0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 10 27.230 3.740 -0.674 1.00 0.00 H new ATOM 0 HG CYS A 10 25.900 6.658 0.553 1.00 0.00 H new ATOM 185 N THR A 11 23.683 2.091 -1.250 1.00 0.00 N ATOM 186 CA THR A 11 23.319 0.704 -1.597 1.00 0.00 C ATOM 187 C THR A 11 22.413 0.729 -2.857 1.00 0.00 C ATOM 188 O THR A 11 22.072 1.812 -3.364 1.00 0.00 O ATOM 189 CB THR A 11 22.585 0.032 -0.364 1.00 0.00 C ATOM 190 OG1 THR A 11 23.288 0.355 0.849 1.00 0.00 O ATOM 191 CG2 THR A 11 22.484 -1.507 -0.466 1.00 0.00 C ATOM 0 H THR A 11 22.896 2.639 -0.902 1.00 0.00 H new ATOM 0 HA THR A 11 24.207 0.113 -1.821 1.00 0.00 H new ATOM 0 HB THR A 11 21.570 0.429 -0.363 1.00 0.00 H new ATOM 0 HG1 THR A 11 22.654 0.694 1.514 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.970 -1.897 0.413 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.926 -1.776 -1.362 1.00 0.00 H new ATOM 0 HG23 THR A 11 23.485 -1.935 -0.520 1.00 0.00 H new ATOM 199 N THR A 12 22.033 -0.459 -3.372 1.00 0.00 N ATOM 200 CA THR A 12 20.968 -0.610 -4.393 1.00 0.00 C ATOM 201 C THR A 12 19.634 0.061 -3.940 1.00 0.00 C ATOM 202 O THR A 12 18.782 0.379 -4.772 1.00 0.00 O ATOM 203 CB THR A 12 20.739 -2.126 -4.686 1.00 0.00 C ATOM 204 OG1 THR A 12 21.961 -2.732 -5.150 1.00 0.00 O ATOM 205 CG2 THR A 12 19.618 -2.377 -5.711 1.00 0.00 C ATOM 0 H THR A 12 22.455 -1.344 -3.093 1.00 0.00 H new ATOM 0 HA THR A 12 21.294 -0.105 -5.302 1.00 0.00 H new ATOM 0 HB THR A 12 20.426 -2.581 -3.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 21.807 -3.683 -5.329 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.506 -3.449 -5.873 1.00 0.00 H new ATOM 0 HG22 THR A 12 18.681 -1.968 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 12 19.872 -1.892 -6.654 1.00 0.00 H new ATOM 213 N CYS A 13 19.514 0.293 -2.613 1.00 0.00 N ATOM 214 CA CYS A 13 18.426 1.054 -1.972 1.00 0.00 C ATOM 215 C CYS A 13 18.059 2.326 -2.767 1.00 0.00 C ATOM 216 O CYS A 13 16.905 2.537 -3.120 1.00 0.00 O ATOM 217 CB CYS A 13 18.883 1.462 -0.554 1.00 0.00 C ATOM 218 SG CYS A 13 20.353 2.518 -0.523 1.00 0.00 S ATOM 0 H CYS A 13 20.196 -0.057 -1.940 1.00 0.00 H new ATOM 0 HA CYS A 13 17.541 0.419 -1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 13 18.065 1.983 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.085 0.560 0.024 1.00 0.00 H new ATOM 0 HG CYS A 13 20.680 2.771 0.710 1.00 0.00 H new ATOM 224 N LYS A 14 19.086 3.117 -3.094 1.00 0.00 N ATOM 225 CA LYS A 14 18.934 4.408 -3.774 1.00 0.00 C ATOM 226 C LYS A 14 18.619 4.236 -5.263 1.00 0.00 C ATOM 227 O LYS A 14 17.823 4.996 -5.814 1.00 0.00 O ATOM 228 CB LYS A 14 20.217 5.257 -3.564 1.00 0.00 C ATOM 229 CG LYS A 14 20.353 5.819 -2.131 1.00 0.00 C ATOM 230 CD LYS A 14 19.193 6.787 -1.801 1.00 0.00 C ATOM 231 CE LYS A 14 19.277 7.409 -0.404 1.00 0.00 C ATOM 232 NZ LYS A 14 18.137 8.331 -0.166 1.00 0.00 N ATOM 0 H LYS A 14 20.056 2.877 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 14 18.084 4.931 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.090 4.645 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.216 6.085 -4.273 1.00 0.00 H new ATOM 0 HG2 LYS A 14 20.361 4.998 -1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 14 21.305 6.340 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.178 7.586 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.249 6.250 -1.892 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.277 6.622 0.350 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.217 7.951 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.215 8.741 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.154 9.093 -0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.243 7.805 -0.245 1.00 0.00 H new ATOM 246 N LYS A 15 19.240 3.226 -5.894 1.00 0.00 N ATOM 247 CA LYS A 15 19.049 2.940 -7.332 1.00 0.00 C ATOM 248 C LYS A 15 17.580 2.559 -7.624 1.00 0.00 C ATOM 249 O LYS A 15 16.908 3.182 -8.465 1.00 0.00 O ATOM 250 CB LYS A 15 20.018 1.796 -7.777 1.00 0.00 C ATOM 251 CG LYS A 15 21.544 2.136 -7.710 1.00 0.00 C ATOM 252 CD LYS A 15 22.110 2.829 -8.991 1.00 0.00 C ATOM 253 CE LYS A 15 21.570 4.248 -9.236 1.00 0.00 C ATOM 254 NZ LYS A 15 22.063 4.828 -10.513 1.00 0.00 N ATOM 0 H LYS A 15 19.885 2.587 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 15 19.280 3.839 -7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.831 0.923 -7.152 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.772 1.514 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.721 2.785 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.101 1.216 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 15 23.196 2.875 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 15 21.877 2.210 -9.857 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.480 4.222 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.864 4.894 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.672 5.784 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.102 4.878 -10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.761 4.228 -11.307 1.00 0.00 H new ATOM 268 N ALA A 16 17.095 1.563 -6.872 1.00 0.00 N ATOM 269 CA ALA A 16 15.738 1.025 -7.002 1.00 0.00 C ATOM 270 C ALA A 16 14.679 2.056 -6.568 1.00 0.00 C ATOM 271 O ALA A 16 13.723 2.293 -7.301 1.00 0.00 O ATOM 272 CB ALA A 16 15.616 -0.267 -6.186 1.00 0.00 C ATOM 0 H ALA A 16 17.644 1.102 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 16 15.553 0.800 -8.052 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.606 -0.665 -6.284 1.00 0.00 H new ATOM 0 HB2 ALA A 16 16.333 -1.000 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 16 15.822 -0.056 -5.137 1.00 0.00 H new ATOM 278 N ALA A 17 14.878 2.685 -5.387 1.00 0.00 N ATOM 279 CA ALA A 17 13.922 3.679 -4.828 1.00 0.00 C ATOM 280 C ALA A 17 13.725 4.879 -5.768 1.00 0.00 C ATOM 281 O ALA A 17 12.596 5.331 -5.975 1.00 0.00 O ATOM 282 CB ALA A 17 14.373 4.177 -3.448 1.00 0.00 C ATOM 0 H ALA A 17 15.695 2.523 -4.798 1.00 0.00 H new ATOM 0 HA ALA A 17 12.968 3.163 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.652 4.901 -3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.436 3.334 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.351 4.650 -3.534 1.00 0.00 H new ATOM 288 N LYS A 18 14.836 5.372 -6.346 1.00 0.00 N ATOM 289 CA LYS A 18 14.813 6.512 -7.281 1.00 0.00 C ATOM 290 C LYS A 18 14.050 6.133 -8.560 1.00 0.00 C ATOM 291 O LYS A 18 13.189 6.877 -9.012 1.00 0.00 O ATOM 292 CB LYS A 18 16.270 6.985 -7.590 1.00 0.00 C ATOM 293 CG LYS A 18 16.405 8.227 -8.519 1.00 0.00 C ATOM 294 CD LYS A 18 16.417 7.877 -10.031 1.00 0.00 C ATOM 295 CE LYS A 18 16.209 9.103 -10.930 1.00 0.00 C ATOM 296 NZ LYS A 18 16.370 8.771 -12.373 1.00 0.00 N ATOM 0 H LYS A 18 15.769 4.994 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 18 14.287 7.348 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.766 7.208 -6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.811 6.155 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.579 8.910 -8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 18 17.324 8.757 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.367 7.406 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.635 7.146 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.213 9.512 -10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.923 9.880 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.683 9.315 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.334 9.012 -12.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.205 7.754 -12.516 1.00 0.00 H new ATOM 310 N PHE A 19 14.402 4.969 -9.121 1.00 0.00 N ATOM 311 CA PHE A 19 13.803 4.434 -10.364 1.00 0.00 C ATOM 312 C PHE A 19 12.259 4.292 -10.236 1.00 0.00 C ATOM 313 O PHE A 19 11.488 4.722 -11.122 1.00 0.00 O ATOM 314 CB PHE A 19 14.476 3.073 -10.674 1.00 0.00 C ATOM 315 CG PHE A 19 14.128 2.467 -12.030 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.605 3.044 -13.204 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.348 1.322 -12.131 1.00 0.00 C ATOM 318 CE1 PHE A 19 14.314 2.496 -14.434 1.00 0.00 C ATOM 319 CE2 PHE A 19 13.057 0.779 -13.363 1.00 0.00 C ATOM 320 CZ PHE A 19 13.539 1.363 -14.512 1.00 0.00 C ATOM 0 H PHE A 19 15.118 4.361 -8.725 1.00 0.00 H new ATOM 0 HA PHE A 19 13.978 5.127 -11.187 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.557 3.200 -10.618 1.00 0.00 H new ATOM 0 HB3 PHE A 19 14.198 2.363 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.213 3.935 -13.149 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.966 0.853 -11.236 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.694 2.955 -15.335 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.447 -0.110 -13.428 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.309 0.931 -15.475 1.00 0.00 H new ATOM 330 N LEU A 20 11.834 3.735 -9.089 1.00 0.00 N ATOM 331 CA LEU A 20 10.415 3.527 -8.753 1.00 0.00 C ATOM 332 C LEU A 20 9.691 4.879 -8.592 1.00 0.00 C ATOM 333 O LEU A 20 8.608 5.070 -9.147 1.00 0.00 O ATOM 334 CB LEU A 20 10.293 2.662 -7.464 1.00 0.00 C ATOM 335 CG LEU A 20 10.777 1.179 -7.610 1.00 0.00 C ATOM 336 CD1 LEU A 20 10.867 0.463 -6.244 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.864 0.397 -8.577 1.00 0.00 C ATOM 0 H LEU A 20 12.473 3.413 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 20 9.933 2.990 -9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.867 3.139 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.251 2.658 -7.145 1.00 0.00 H new ATOM 0 HG LEU A 20 11.783 1.207 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.206 -0.562 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.574 0.990 -5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.885 0.455 -5.772 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.219 -0.630 -8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.844 0.397 -8.194 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.883 0.871 -9.559 1.00 0.00 H new ATOM 349 N ASP A 21 10.331 5.825 -7.873 1.00 0.00 N ATOM 350 CA ASP A 21 9.791 7.192 -7.670 1.00 0.00 C ATOM 351 C ASP A 21 9.632 7.933 -9.007 1.00 0.00 C ATOM 352 O ASP A 21 8.641 8.625 -9.219 1.00 0.00 O ATOM 353 CB ASP A 21 10.710 8.020 -6.730 1.00 0.00 C ATOM 354 CG ASP A 21 10.214 9.469 -6.514 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.234 9.664 -5.767 1.00 0.00 O ATOM 356 OD2 ASP A 21 10.791 10.415 -7.105 1.00 0.00 O ATOM 0 H ASP A 21 11.230 5.668 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 21 8.810 7.084 -7.207 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.778 7.518 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.717 8.046 -7.147 1.00 0.00 H new ATOM 361 N GLU A 22 10.618 7.743 -9.894 1.00 0.00 N ATOM 362 CA GLU A 22 10.679 8.391 -11.214 1.00 0.00 C ATOM 363 C GLU A 22 9.481 7.975 -12.088 1.00 0.00 C ATOM 364 O GLU A 22 8.873 8.812 -12.771 1.00 0.00 O ATOM 365 CB GLU A 22 12.024 8.033 -11.899 1.00 0.00 C ATOM 366 CG GLU A 22 12.187 8.540 -13.346 1.00 0.00 C ATOM 367 CD GLU A 22 13.596 8.306 -13.915 1.00 0.00 C ATOM 368 OE1 GLU A 22 14.047 7.137 -13.941 1.00 0.00 O ATOM 369 OE2 GLU A 22 14.270 9.288 -14.322 1.00 0.00 O ATOM 0 H GLU A 22 11.409 7.125 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 22 10.624 9.472 -11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.837 8.438 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.135 6.949 -11.898 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.457 8.041 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.962 9.606 -13.378 1.00 0.00 H new ATOM 376 N TYR A 23 9.142 6.675 -12.048 1.00 0.00 N ATOM 377 CA TYR A 23 7.944 6.138 -12.730 1.00 0.00 C ATOM 378 C TYR A 23 6.649 6.326 -11.896 1.00 0.00 C ATOM 379 O TYR A 23 5.563 5.961 -12.360 1.00 0.00 O ATOM 380 CB TYR A 23 8.171 4.649 -13.087 1.00 0.00 C ATOM 381 CG TYR A 23 9.040 4.443 -14.341 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.433 4.546 -14.295 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.453 4.144 -15.574 1.00 0.00 C ATOM 384 CE1 TYR A 23 11.199 4.367 -15.434 1.00 0.00 C ATOM 385 CE2 TYR A 23 9.215 3.963 -16.708 1.00 0.00 C ATOM 386 CZ TYR A 23 10.586 4.068 -16.635 1.00 0.00 C ATOM 387 OH TYR A 23 11.347 3.879 -17.771 1.00 0.00 O ATOM 0 H TYR A 23 9.683 5.970 -11.548 1.00 0.00 H new ATOM 0 HA TYR A 23 7.798 6.709 -13.647 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.643 4.149 -12.241 1.00 0.00 H new ATOM 0 HB3 TYR A 23 7.204 4.169 -13.242 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.919 4.769 -13.357 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.379 4.053 -15.639 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.274 4.461 -15.384 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.738 3.740 -17.651 1.00 0.00 H new ATOM 0 HH TYR A 23 10.759 3.675 -18.528 1.00 0.00 H new ATOM 397 N GLY A 24 6.775 6.878 -10.675 1.00 0.00 N ATOM 398 CA GLY A 24 5.616 7.207 -9.821 1.00 0.00 C ATOM 399 C GLY A 24 5.079 6.026 -9.016 1.00 0.00 C ATOM 400 O GLY A 24 4.019 6.130 -8.391 1.00 0.00 O ATOM 0 H GLY A 24 7.675 7.108 -10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.900 8.003 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.816 7.599 -10.449 1.00 0.00 H new ATOM 404 N VAL A 25 5.804 4.902 -9.058 1.00 0.00 N ATOM 405 CA VAL A 25 5.443 3.657 -8.361 1.00 0.00 C ATOM 406 C VAL A 25 5.534 3.820 -6.830 1.00 0.00 C ATOM 407 O VAL A 25 6.515 4.370 -6.307 1.00 0.00 O ATOM 408 CB VAL A 25 6.369 2.482 -8.850 1.00 0.00 C ATOM 409 CG1 VAL A 25 6.184 1.193 -8.015 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.140 2.198 -10.353 1.00 0.00 C ATOM 0 H VAL A 25 6.674 4.829 -9.586 1.00 0.00 H new ATOM 0 HA VAL A 25 4.407 3.419 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 25 7.399 2.807 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.846 0.415 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.425 1.397 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.150 0.857 -8.089 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.789 1.383 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.099 1.918 -10.516 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.370 3.093 -10.932 1.00 0.00 H new ATOM 420 N SER A 26 4.491 3.336 -6.132 1.00 0.00 N ATOM 421 CA SER A 26 4.394 3.402 -4.676 1.00 0.00 C ATOM 422 C SER A 26 5.244 2.298 -4.019 1.00 0.00 C ATOM 423 O SER A 26 4.797 1.157 -3.863 1.00 0.00 O ATOM 424 CB SER A 26 2.923 3.284 -4.234 1.00 0.00 C ATOM 425 OG SER A 26 2.124 4.305 -4.811 1.00 0.00 O ATOM 0 H SER A 26 3.689 2.886 -6.573 1.00 0.00 H new ATOM 0 HA SER A 26 4.782 4.367 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.532 2.308 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.862 3.343 -3.147 1.00 0.00 H new ATOM 0 HG SER A 26 1.196 4.202 -4.513 1.00 0.00 H new ATOM 431 N TYR A 27 6.479 2.658 -3.674 1.00 0.00 N ATOM 432 CA TYR A 27 7.390 1.795 -2.904 1.00 0.00 C ATOM 433 C TYR A 27 7.351 2.227 -1.430 1.00 0.00 C ATOM 434 O TYR A 27 7.056 3.388 -1.122 1.00 0.00 O ATOM 435 CB TYR A 27 8.844 1.863 -3.460 1.00 0.00 C ATOM 436 CG TYR A 27 9.520 3.245 -3.357 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.298 4.230 -4.321 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.358 3.570 -2.282 1.00 0.00 C ATOM 439 CE1 TYR A 27 9.881 5.471 -4.219 1.00 0.00 C ATOM 440 CE2 TYR A 27 10.945 4.816 -2.184 1.00 0.00 C ATOM 441 CZ TYR A 27 10.699 5.763 -3.153 1.00 0.00 C ATOM 442 OH TYR A 27 11.269 7.015 -3.054 1.00 0.00 O ATOM 0 H TYR A 27 6.884 3.561 -3.920 1.00 0.00 H new ATOM 0 HA TYR A 27 7.062 0.760 -2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.455 1.136 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.831 1.559 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.657 4.013 -5.162 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.548 2.833 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.696 6.218 -4.977 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.594 5.047 -1.352 1.00 0.00 H new ATOM 0 HH TYR A 27 11.818 7.061 -2.244 1.00 0.00 H new ATOM 452 N GLU A 28 7.676 1.299 -0.535 1.00 0.00 N ATOM 453 CA GLU A 28 7.625 1.514 0.918 1.00 0.00 C ATOM 454 C GLU A 28 9.030 1.328 1.495 1.00 0.00 C ATOM 455 O GLU A 28 9.412 0.193 1.768 1.00 0.00 O ATOM 456 CB GLU A 28 6.632 0.516 1.560 1.00 0.00 C ATOM 457 CG GLU A 28 6.468 0.663 3.082 1.00 0.00 C ATOM 458 CD GLU A 28 5.354 -0.217 3.653 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.235 -0.233 3.077 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.574 -0.871 4.693 1.00 0.00 O ATOM 0 H GLU A 28 7.987 0.363 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 28 7.280 2.525 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.657 0.641 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.964 -0.499 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.409 0.409 3.569 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.257 1.706 3.320 1.00 0.00 H new ATOM 467 N PRO A 29 9.839 2.423 1.644 1.00 0.00 N ATOM 468 CA PRO A 29 11.226 2.311 2.123 1.00 0.00 C ATOM 469 C PRO A 29 11.288 1.995 3.639 1.00 0.00 C ATOM 470 O PRO A 29 11.141 2.886 4.486 1.00 0.00 O ATOM 471 CB PRO A 29 11.842 3.686 1.760 1.00 0.00 C ATOM 472 CG PRO A 29 10.687 4.643 1.780 1.00 0.00 C ATOM 473 CD PRO A 29 9.461 3.842 1.372 1.00 0.00 C ATOM 0 HA PRO A 29 11.775 1.486 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.609 3.977 2.478 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.317 3.660 0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.557 5.074 2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.857 5.471 1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.584 4.137 1.948 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.218 3.994 0.320 1.00 0.00 H new ATOM 481 N ILE A 30 11.475 0.704 3.959 1.00 0.00 N ATOM 482 CA ILE A 30 11.562 0.194 5.337 1.00 0.00 C ATOM 483 C ILE A 30 12.878 -0.585 5.517 1.00 0.00 C ATOM 484 O ILE A 30 13.235 -1.434 4.687 1.00 0.00 O ATOM 485 CB ILE A 30 10.300 -0.694 5.717 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.927 -1.684 4.551 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.090 0.205 6.101 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.709 -2.568 4.799 1.00 0.00 C ATOM 0 H ILE A 30 11.572 -0.027 3.255 1.00 0.00 H new ATOM 0 HA ILE A 30 11.560 1.042 6.022 1.00 0.00 H new ATOM 0 HB ILE A 30 10.562 -1.297 6.587 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.752 -1.102 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.786 -2.326 4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.237 -0.423 6.358 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.355 0.825 6.958 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.829 0.844 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.543 -3.209 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.881 -3.185 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.832 -1.942 4.960 1.00 0.00 H new ATOM 500 N ASP A 31 13.622 -0.232 6.584 1.00 0.00 N ATOM 501 CA ASP A 31 14.922 -0.845 6.907 1.00 0.00 C ATOM 502 C ASP A 31 14.734 -2.311 7.305 1.00 0.00 C ATOM 503 O ASP A 31 14.185 -2.590 8.353 1.00 0.00 O ATOM 504 CB ASP A 31 15.630 -0.069 8.042 1.00 0.00 C ATOM 505 CG ASP A 31 16.196 1.282 7.572 1.00 0.00 C ATOM 506 OD1 ASP A 31 17.304 1.295 6.982 1.00 0.00 O ATOM 507 OD2 ASP A 31 15.531 2.324 7.760 1.00 0.00 O ATOM 0 H ASP A 31 13.336 0.489 7.247 1.00 0.00 H new ATOM 0 HA ASP A 31 15.551 -0.799 6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.925 0.100 8.856 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.440 -0.678 8.443 1.00 0.00 H new ATOM 512 N ILE A 32 15.235 -3.214 6.455 1.00 0.00 N ATOM 513 CA ILE A 32 15.002 -4.666 6.537 1.00 0.00 C ATOM 514 C ILE A 32 15.486 -5.301 7.854 1.00 0.00 C ATOM 515 O ILE A 32 14.834 -6.195 8.371 1.00 0.00 O ATOM 516 CB ILE A 32 15.628 -5.401 5.288 1.00 0.00 C ATOM 517 CG1 ILE A 32 15.386 -6.958 5.331 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.134 -5.065 5.120 1.00 0.00 C ATOM 519 CD1 ILE A 32 15.357 -7.609 3.964 1.00 0.00 C ATOM 0 H ILE A 32 15.830 -2.951 5.669 1.00 0.00 H new ATOM 0 HA ILE A 32 13.920 -4.800 6.527 1.00 0.00 H new ATOM 0 HB ILE A 32 15.108 -5.022 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.171 -7.422 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.441 -7.156 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 32 17.529 -5.590 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.254 -3.991 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 32 17.678 -5.379 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.186 -8.680 4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.554 -7.173 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 32 16.310 -7.443 3.462 1.00 0.00 H new ATOM 531 N VAL A 33 16.614 -4.827 8.398 1.00 0.00 N ATOM 532 CA VAL A 33 17.189 -5.383 9.651 1.00 0.00 C ATOM 533 C VAL A 33 16.508 -4.787 10.903 1.00 0.00 C ATOM 534 O VAL A 33 16.502 -5.400 11.975 1.00 0.00 O ATOM 535 CB VAL A 33 18.739 -5.169 9.696 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.105 -3.673 9.727 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.393 -5.938 10.867 1.00 0.00 C ATOM 0 H VAL A 33 17.154 -4.060 7.998 1.00 0.00 H new ATOM 0 HA VAL A 33 16.995 -6.456 9.655 1.00 0.00 H new ATOM 0 HB VAL A 33 19.145 -5.584 8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.189 -3.564 9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.717 -3.185 8.833 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.669 -3.210 10.612 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.469 -5.762 10.862 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.973 -5.590 11.811 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.199 -7.005 10.755 1.00 0.00 H new ATOM 547 N GLN A 34 15.924 -3.595 10.741 1.00 0.00 N ATOM 548 CA GLN A 34 15.192 -2.886 11.814 1.00 0.00 C ATOM 549 C GLN A 34 13.705 -3.327 11.791 1.00 0.00 C ATOM 550 O GLN A 34 12.998 -3.279 12.799 1.00 0.00 O ATOM 551 CB GLN A 34 15.367 -1.346 11.584 1.00 0.00 C ATOM 552 CG GLN A 34 15.279 -0.434 12.832 1.00 0.00 C ATOM 553 CD GLN A 34 13.860 -0.144 13.335 1.00 0.00 C ATOM 554 OE1 GLN A 34 13.201 0.789 12.871 1.00 0.00 O ATOM 555 NE2 GLN A 34 13.385 -0.926 14.288 1.00 0.00 N ATOM 0 H GLN A 34 15.942 -3.085 9.858 1.00 0.00 H new ATOM 0 HA GLN A 34 15.584 -3.130 12.801 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.336 -1.182 11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.607 -1.021 10.873 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.845 -0.897 13.640 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.766 0.514 12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.954 -1.690 14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 34 12.449 -0.766 14.660 1.00 0.00 H new ATOM 564 N HIS A 35 13.268 -3.794 10.612 1.00 0.00 N ATOM 565 CA HIS A 35 11.871 -4.171 10.315 1.00 0.00 C ATOM 566 C HIS A 35 11.837 -5.591 9.709 1.00 0.00 C ATOM 567 O HIS A 35 11.190 -5.820 8.678 1.00 0.00 O ATOM 568 CB HIS A 35 11.251 -3.136 9.321 1.00 0.00 C ATOM 569 CG HIS A 35 11.081 -1.734 9.861 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.889 -1.254 10.356 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.963 -0.708 9.960 1.00 0.00 C ATOM 572 CE1 HIS A 35 10.042 0.001 10.730 1.00 0.00 C ATOM 573 NE2 HIS A 35 11.289 0.354 10.500 1.00 0.00 N ATOM 0 H HIS A 35 13.891 -3.925 9.815 1.00 0.00 H new ATOM 0 HA HIS A 35 11.285 -4.169 11.234 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.881 -3.090 8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.276 -3.504 9.002 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.002 -0.726 9.667 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.275 0.632 11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.689 1.272 10.693 1.00 0.00 H new ATOM 582 N THR A 36 12.521 -6.548 10.364 1.00 0.00 N ATOM 583 CA THR A 36 12.614 -7.936 9.865 1.00 0.00 C ATOM 584 C THR A 36 11.288 -8.700 10.119 1.00 0.00 C ATOM 585 O THR A 36 10.880 -8.832 11.282 1.00 0.00 O ATOM 586 CB THR A 36 13.803 -8.708 10.525 1.00 0.00 C ATOM 587 OG1 THR A 36 14.952 -7.851 10.621 1.00 0.00 O ATOM 588 CG2 THR A 36 14.182 -9.960 9.711 1.00 0.00 C ATOM 0 H THR A 36 13.018 -6.387 11.240 1.00 0.00 H new ATOM 0 HA THR A 36 12.797 -7.881 8.792 1.00 0.00 H new ATOM 0 HB THR A 36 13.482 -9.020 11.519 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.970 -7.241 9.854 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.012 -10.473 10.198 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.324 -10.630 9.654 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.479 -9.664 8.705 1.00 0.00 H new ATOM 596 N PRO A 37 10.583 -9.187 9.035 1.00 0.00 N ATOM 597 CA PRO A 37 9.321 -9.963 9.172 1.00 0.00 C ATOM 598 C PRO A 37 9.482 -11.266 9.987 1.00 0.00 C ATOM 599 O PRO A 37 10.600 -11.765 10.173 1.00 0.00 O ATOM 600 CB PRO A 37 8.914 -10.273 7.703 1.00 0.00 C ATOM 601 CG PRO A 37 9.636 -9.253 6.881 1.00 0.00 C ATOM 602 CD PRO A 37 10.940 -8.997 7.601 1.00 0.00 C ATOM 0 HA PRO A 37 8.571 -9.397 9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.201 -11.285 7.419 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.835 -10.198 7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.812 -9.619 5.869 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.052 -8.337 6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.717 -9.692 7.285 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.315 -7.991 7.410 1.00 0.00 H new ATOM 610 N THR A 38 8.346 -11.795 10.473 1.00 0.00 N ATOM 611 CA THR A 38 8.297 -13.083 11.185 1.00 0.00 C ATOM 612 C THR A 38 8.361 -14.252 10.179 1.00 0.00 C ATOM 613 O THR A 38 8.250 -14.039 8.964 1.00 0.00 O ATOM 614 CB THR A 38 6.996 -13.198 12.057 1.00 0.00 C ATOM 615 OG1 THR A 38 5.826 -13.213 11.220 1.00 0.00 O ATOM 616 CG2 THR A 38 6.886 -12.044 13.069 1.00 0.00 C ATOM 0 H THR A 38 7.437 -11.342 10.383 1.00 0.00 H new ATOM 0 HA THR A 38 9.160 -13.134 11.849 1.00 0.00 H new ATOM 0 HB THR A 38 7.061 -14.135 12.610 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.025 -13.287 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.973 -12.158 13.654 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.748 -12.061 13.736 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.859 -11.094 12.536 1.00 0.00 H new ATOM 624 N ILE A 39 8.529 -15.482 10.699 1.00 0.00 N ATOM 625 CA ILE A 39 8.606 -16.720 9.885 1.00 0.00 C ATOM 626 C ILE A 39 7.330 -16.891 9.034 1.00 0.00 C ATOM 627 O ILE A 39 7.392 -17.289 7.866 1.00 0.00 O ATOM 628 CB ILE A 39 8.786 -17.983 10.811 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.012 -17.803 11.765 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.920 -19.285 9.981 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.083 -18.813 12.898 1.00 0.00 C ATOM 0 H ILE A 39 8.616 -15.651 11.701 1.00 0.00 H new ATOM 0 HA ILE A 39 9.469 -16.632 9.225 1.00 0.00 H new ATOM 0 HB ILE A 39 7.887 -18.074 11.421 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.927 -17.871 11.177 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.981 -16.800 12.191 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.042 -20.134 10.653 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.023 -19.426 9.378 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.789 -19.212 9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.963 -18.613 13.509 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.188 -18.732 13.514 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.149 -19.819 12.485 1.00 0.00 H new ATOM 643 N ASN A 40 6.182 -16.561 9.651 1.00 0.00 N ATOM 644 CA ASN A 40 4.861 -16.639 9.007 1.00 0.00 C ATOM 645 C ASN A 40 4.714 -15.584 7.904 1.00 0.00 C ATOM 646 O ASN A 40 4.180 -15.878 6.836 1.00 0.00 O ATOM 647 CB ASN A 40 3.720 -16.515 10.054 1.00 0.00 C ATOM 648 CG ASN A 40 3.539 -17.778 10.906 1.00 0.00 C ATOM 649 OD1 ASN A 40 4.480 -18.541 11.129 1.00 0.00 O ATOM 650 ND2 ASN A 40 2.324 -18.012 11.389 1.00 0.00 N ATOM 0 H ASN A 40 6.145 -16.231 10.615 1.00 0.00 H new ATOM 0 HA ASN A 40 4.781 -17.620 8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.928 -15.669 10.710 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.785 -16.296 9.538 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.153 -18.840 11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.562 -17.364 11.189 1.00 0.00 H new ATOM 657 N GLU A 41 5.220 -14.369 8.155 1.00 0.00 N ATOM 658 CA GLU A 41 5.173 -13.274 7.170 1.00 0.00 C ATOM 659 C GLU A 41 6.057 -13.587 5.947 1.00 0.00 C ATOM 660 O GLU A 41 5.670 -13.304 4.806 1.00 0.00 O ATOM 661 CB GLU A 41 5.582 -11.937 7.828 1.00 0.00 C ATOM 662 CG GLU A 41 4.604 -11.427 8.905 1.00 0.00 C ATOM 663 CD GLU A 41 3.179 -11.172 8.381 1.00 0.00 C ATOM 664 OE1 GLU A 41 2.924 -10.077 7.834 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.309 -12.062 8.508 1.00 0.00 O ATOM 0 H GLU A 41 5.669 -14.117 9.035 1.00 0.00 H new ATOM 0 HA GLU A 41 4.147 -13.179 6.815 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.568 -12.055 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.675 -11.178 7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.558 -12.155 9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.996 -10.503 9.329 1.00 0.00 H new ATOM 672 N PHE A 42 7.229 -14.199 6.199 1.00 0.00 N ATOM 673 CA PHE A 42 8.131 -14.660 5.134 1.00 0.00 C ATOM 674 C PHE A 42 7.447 -15.755 4.292 1.00 0.00 C ATOM 675 O PHE A 42 7.316 -15.602 3.079 1.00 0.00 O ATOM 676 CB PHE A 42 9.497 -15.153 5.702 1.00 0.00 C ATOM 677 CG PHE A 42 10.555 -14.057 5.853 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.197 -13.533 4.723 1.00 0.00 C ATOM 679 CD2 PHE A 42 10.921 -13.566 7.098 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.162 -12.548 4.846 1.00 0.00 C ATOM 681 CE2 PHE A 42 11.888 -12.585 7.219 1.00 0.00 C ATOM 682 CZ PHE A 42 12.510 -12.078 6.097 1.00 0.00 C ATOM 0 H PHE A 42 7.573 -14.386 7.141 1.00 0.00 H new ATOM 0 HA PHE A 42 8.347 -13.810 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.327 -15.612 6.676 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.889 -15.931 5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.935 -13.903 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.444 -13.956 7.985 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.642 -12.148 3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.158 -12.214 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.268 -11.315 6.197 1.00 0.00 H new ATOM 692 N LYS A 43 6.954 -16.835 4.934 1.00 0.00 N ATOM 693 CA LYS A 43 6.335 -17.968 4.197 1.00 0.00 C ATOM 694 C LYS A 43 5.074 -17.525 3.429 1.00 0.00 C ATOM 695 O LYS A 43 4.733 -18.126 2.410 1.00 0.00 O ATOM 696 CB LYS A 43 6.018 -19.175 5.123 1.00 0.00 C ATOM 697 CG LYS A 43 4.939 -18.931 6.191 1.00 0.00 C ATOM 698 CD LYS A 43 4.686 -20.156 7.100 1.00 0.00 C ATOM 699 CE LYS A 43 5.909 -20.535 7.952 1.00 0.00 C ATOM 700 NZ LYS A 43 5.638 -21.691 8.845 1.00 0.00 N ATOM 0 H LYS A 43 6.969 -16.951 5.947 1.00 0.00 H new ATOM 0 HA LYS A 43 7.076 -18.302 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.705 -20.014 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.938 -19.476 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.236 -18.084 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.007 -18.655 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.843 -19.945 7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.403 -21.008 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.746 -20.774 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.210 -19.677 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.527 -22.193 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.227 -21.351 9.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.970 -22.339 8.381 1.00 0.00 H new ATOM 714 N THR A 44 4.410 -16.456 3.909 1.00 0.00 N ATOM 715 CA THR A 44 3.253 -15.865 3.217 1.00 0.00 C ATOM 716 C THR A 44 3.693 -15.166 1.919 1.00 0.00 C ATOM 717 O THR A 44 3.173 -15.486 0.845 1.00 0.00 O ATOM 718 CB THR A 44 2.474 -14.864 4.133 1.00 0.00 C ATOM 719 OG1 THR A 44 1.997 -15.560 5.289 1.00 0.00 O ATOM 720 CG2 THR A 44 1.273 -14.216 3.416 1.00 0.00 C ATOM 0 H THR A 44 4.658 -15.983 4.778 1.00 0.00 H new ATOM 0 HA THR A 44 2.576 -16.682 2.967 1.00 0.00 H new ATOM 0 HB THR A 44 3.167 -14.068 4.407 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.719 -15.632 5.948 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.769 -13.531 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.624 -13.666 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.576 -14.992 3.100 1.00 0.00 H new ATOM 728 N ILE A 45 4.688 -14.248 2.011 1.00 0.00 N ATOM 729 CA ILE A 45 5.148 -13.476 0.834 1.00 0.00 C ATOM 730 C ILE A 45 5.740 -14.416 -0.242 1.00 0.00 C ATOM 731 O ILE A 45 5.609 -14.160 -1.422 1.00 0.00 O ATOM 732 CB ILE A 45 6.181 -12.322 1.183 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.575 -12.881 1.649 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.585 -11.337 2.226 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.616 -11.827 2.002 1.00 0.00 C ATOM 0 H ILE A 45 5.180 -14.028 2.877 1.00 0.00 H new ATOM 0 HA ILE A 45 4.259 -12.981 0.442 1.00 0.00 H new ATOM 0 HB ILE A 45 6.363 -11.770 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.419 -13.519 2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.977 -13.514 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.313 -10.557 2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.679 -10.884 1.823 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.344 -11.878 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.540 -12.317 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.810 -11.201 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.244 -11.207 2.818 1.00 0.00 H new ATOM 747 N ILE A 46 6.335 -15.535 0.203 1.00 0.00 N ATOM 748 CA ILE A 46 6.946 -16.556 -0.677 1.00 0.00 C ATOM 749 C ILE A 46 5.876 -17.457 -1.307 1.00 0.00 C ATOM 750 O ILE A 46 6.004 -17.858 -2.463 1.00 0.00 O ATOM 751 CB ILE A 46 7.994 -17.398 0.140 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.148 -16.456 0.600 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.551 -18.618 -0.648 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.920 -16.951 1.785 1.00 0.00 C ATOM 0 H ILE A 46 6.408 -15.763 1.195 1.00 0.00 H new ATOM 0 HA ILE A 46 7.462 -16.053 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 46 7.482 -17.819 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.837 -16.313 -0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.729 -15.478 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.268 -19.155 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.731 -19.284 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.045 -18.270 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.702 -16.234 2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.248 -17.066 2.635 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.373 -17.914 1.548 1.00 0.00 H new ATOM 766 N ALA A 47 4.818 -17.765 -0.544 1.00 0.00 N ATOM 767 CA ALA A 47 3.678 -18.560 -1.045 1.00 0.00 C ATOM 768 C ALA A 47 2.904 -17.786 -2.126 1.00 0.00 C ATOM 769 O ALA A 47 2.440 -18.365 -3.113 1.00 0.00 O ATOM 770 CB ALA A 47 2.744 -18.954 0.112 1.00 0.00 C ATOM 0 H ALA A 47 4.724 -17.475 0.429 1.00 0.00 H new ATOM 0 HA ALA A 47 4.071 -19.471 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.910 -19.539 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.297 -19.549 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.362 -18.054 0.594 1.00 0.00 H new ATOM 776 N ASN A 48 2.806 -16.462 -1.929 1.00 0.00 N ATOM 777 CA ASN A 48 1.998 -15.569 -2.775 1.00 0.00 C ATOM 778 C ASN A 48 2.766 -15.142 -4.044 1.00 0.00 C ATOM 779 O ASN A 48 2.259 -15.301 -5.162 1.00 0.00 O ATOM 780 CB ASN A 48 1.534 -14.335 -1.950 1.00 0.00 C ATOM 781 CG ASN A 48 0.479 -14.655 -0.864 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.578 -15.804 -0.203 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.416 -13.856 -0.602 1.00 0.00 N flip ATOM 0 H ASN A 48 3.289 -15.977 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 48 1.116 -16.115 -3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.404 -13.884 -1.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.122 -13.591 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.482 -12.977 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.093 -14.071 0.130 1.00 0.00 H new ATOM 790 N THR A 49 3.996 -14.619 -3.874 1.00 0.00 N ATOM 791 CA THR A 49 4.829 -14.161 -5.010 1.00 0.00 C ATOM 792 C THR A 49 5.472 -15.349 -5.742 1.00 0.00 C ATOM 793 O THR A 49 5.760 -15.266 -6.941 1.00 0.00 O ATOM 794 CB THR A 49 5.950 -13.173 -4.557 1.00 0.00 C ATOM 795 OG1 THR A 49 6.912 -13.850 -3.726 1.00 0.00 O ATOM 796 CG2 THR A 49 5.374 -11.970 -3.789 1.00 0.00 C ATOM 0 H THR A 49 4.437 -14.502 -2.962 1.00 0.00 H new ATOM 0 HA THR A 49 4.158 -13.635 -5.689 1.00 0.00 H new ATOM 0 HB THR A 49 6.437 -12.804 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.470 -14.181 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.186 -11.306 -3.491 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.679 -11.428 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.849 -12.323 -2.901 1.00 0.00 H new ATOM 804 N GLY A 50 5.695 -16.444 -4.997 1.00 0.00 N ATOM 805 CA GLY A 50 6.321 -17.648 -5.539 1.00 0.00 C ATOM 806 C GLY A 50 7.825 -17.511 -5.704 1.00 0.00 C ATOM 807 O GLY A 50 8.405 -18.147 -6.581 1.00 0.00 O ATOM 0 H GLY A 50 5.446 -16.514 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.108 -18.490 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.874 -17.879 -6.506 1.00 0.00 H new ATOM 811 N VAL A 51 8.462 -16.692 -4.843 1.00 0.00 N ATOM 812 CA VAL A 51 9.912 -16.399 -4.937 1.00 0.00 C ATOM 813 C VAL A 51 10.750 -17.541 -4.329 1.00 0.00 C ATOM 814 O VAL A 51 10.278 -18.264 -3.446 1.00 0.00 O ATOM 815 CB VAL A 51 10.256 -15.024 -4.243 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.985 -15.047 -2.720 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.706 -14.547 -4.546 1.00 0.00 C ATOM 0 H VAL A 51 7.995 -16.218 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 51 10.167 -16.320 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 51 9.577 -14.294 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.238 -14.078 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.931 -15.259 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.595 -15.821 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.889 -13.597 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.417 -15.291 -4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.830 -14.419 -5.621 1.00 0.00 H new ATOM 827 N GLU A 52 11.990 -17.700 -4.835 1.00 0.00 N ATOM 828 CA GLU A 52 12.967 -18.657 -4.299 1.00 0.00 C ATOM 829 C GLU A 52 13.408 -18.193 -2.897 1.00 0.00 C ATOM 830 O GLU A 52 13.927 -17.081 -2.738 1.00 0.00 O ATOM 831 CB GLU A 52 14.189 -18.770 -5.251 1.00 0.00 C ATOM 832 CG GLU A 52 15.301 -19.738 -4.786 1.00 0.00 C ATOM 833 CD GLU A 52 16.607 -19.597 -5.590 1.00 0.00 C ATOM 834 OE1 GLU A 52 16.572 -19.755 -6.828 1.00 0.00 O ATOM 835 OE2 GLU A 52 17.670 -19.316 -4.993 1.00 0.00 O ATOM 0 H GLU A 52 12.339 -17.164 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 52 12.510 -19.644 -4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.837 -19.091 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.623 -17.778 -5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.511 -19.560 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.940 -20.763 -4.870 1.00 0.00 H new ATOM 842 N ILE A 53 13.183 -19.054 -1.894 1.00 0.00 N ATOM 843 CA ILE A 53 13.481 -18.761 -0.479 1.00 0.00 C ATOM 844 C ILE A 53 15.018 -18.613 -0.269 1.00 0.00 C ATOM 845 O ILE A 53 15.466 -17.835 0.579 1.00 0.00 O ATOM 846 CB ILE A 53 12.824 -19.885 0.447 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.538 -19.394 1.911 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.641 -21.198 0.437 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.730 -19.257 2.830 1.00 0.00 C ATOM 0 H ILE A 53 12.786 -19.982 -2.040 1.00 0.00 H new ATOM 0 HA ILE A 53 13.040 -17.807 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 53 11.852 -20.100 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.041 -18.426 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.833 -20.087 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.157 -21.933 1.080 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.695 -21.585 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.648 -21.002 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.397 -18.911 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.222 -20.224 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.432 -18.537 2.410 1.00 0.00 H new ATOM 861 N ASN A 54 15.810 -19.321 -1.100 1.00 0.00 N ATOM 862 CA ASN A 54 17.285 -19.332 -0.999 1.00 0.00 C ATOM 863 C ASN A 54 17.907 -17.997 -1.476 1.00 0.00 C ATOM 864 O ASN A 54 18.881 -17.529 -0.875 1.00 0.00 O ATOM 865 CB ASN A 54 17.879 -20.532 -1.787 1.00 0.00 C ATOM 866 CG ASN A 54 19.412 -20.615 -1.720 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.982 -21.273 -0.844 1.00 0.00 O ATOM 868 ND2 ASN A 54 20.086 -19.943 -2.643 1.00 0.00 N ATOM 0 H ASN A 54 15.447 -19.900 -1.858 1.00 0.00 H new ATOM 0 HA ASN A 54 17.540 -19.448 0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 54 17.456 -21.457 -1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.573 -20.458 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 54 21.106 -19.960 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.585 -19.409 -3.353 1.00 0.00 H new ATOM 875 N LYS A 55 17.349 -17.375 -2.553 1.00 0.00 N ATOM 876 CA LYS A 55 17.896 -16.093 -3.080 1.00 0.00 C ATOM 877 C LYS A 55 17.533 -14.908 -2.172 1.00 0.00 C ATOM 878 O LYS A 55 18.058 -13.805 -2.361 1.00 0.00 O ATOM 879 CB LYS A 55 17.445 -15.783 -4.537 1.00 0.00 C ATOM 880 CG LYS A 55 15.933 -15.516 -4.730 1.00 0.00 C ATOM 881 CD LYS A 55 15.600 -14.776 -6.059 1.00 0.00 C ATOM 882 CE LYS A 55 16.287 -15.377 -7.305 1.00 0.00 C ATOM 883 NZ LYS A 55 15.964 -16.817 -7.518 1.00 0.00 N ATOM 0 H LYS A 55 16.540 -17.731 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 55 18.978 -16.226 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.997 -14.912 -4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.731 -16.621 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.398 -16.466 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.566 -14.924 -3.891 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.521 -14.791 -6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.894 -13.731 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.987 -14.810 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.367 -15.264 -7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.140 -17.069 -8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.563 -17.402 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.963 -16.986 -7.290 1.00 0.00 H new ATOM 897 N LEU A 56 16.619 -15.137 -1.203 1.00 0.00 N ATOM 898 CA LEU A 56 16.301 -14.136 -0.175 1.00 0.00 C ATOM 899 C LEU A 56 17.481 -13.969 0.782 1.00 0.00 C ATOM 900 O LEU A 56 17.654 -12.910 1.346 1.00 0.00 O ATOM 901 CB LEU A 56 15.029 -14.512 0.616 1.00 0.00 C ATOM 902 CG LEU A 56 13.721 -14.696 -0.216 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.510 -14.868 0.710 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.495 -13.535 -1.204 1.00 0.00 C ATOM 0 H LEU A 56 16.092 -16.006 -1.116 1.00 0.00 H new ATOM 0 HA LEU A 56 16.110 -13.191 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.224 -15.439 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.852 -13.740 1.364 1.00 0.00 H new ATOM 0 HG LEU A 56 13.838 -15.603 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.609 -14.995 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.654 -15.747 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.405 -13.985 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.574 -13.705 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.418 -12.598 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.334 -13.479 -1.898 1.00 0.00 H new ATOM 916 N PHE A 57 18.280 -15.034 0.953 1.00 0.00 N ATOM 917 CA PHE A 57 19.545 -14.964 1.702 1.00 0.00 C ATOM 918 C PHE A 57 20.555 -14.085 0.956 1.00 0.00 C ATOM 919 O PHE A 57 20.567 -14.063 -0.285 1.00 0.00 O ATOM 920 CB PHE A 57 20.156 -16.371 1.914 1.00 0.00 C ATOM 921 CG PHE A 57 19.426 -17.226 2.946 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.310 -17.982 2.594 1.00 0.00 C ATOM 923 CD2 PHE A 57 19.861 -17.266 4.273 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.656 -18.751 3.535 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.207 -18.035 5.211 1.00 0.00 C ATOM 926 CZ PHE A 57 18.108 -18.778 4.842 1.00 0.00 C ATOM 0 H PHE A 57 18.070 -15.960 0.580 1.00 0.00 H new ATOM 0 HA PHE A 57 19.325 -14.529 2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.161 -16.899 0.961 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.196 -16.260 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.953 -17.966 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.723 -16.686 4.568 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.791 -19.332 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.556 -18.055 6.233 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.597 -19.384 5.576 1.00 0.00 H new ATOM 936 N ASN A 58 21.407 -13.372 1.721 1.00 0.00 N ATOM 937 CA ASN A 58 22.545 -12.620 1.171 1.00 0.00 C ATOM 938 C ASN A 58 23.655 -13.639 0.839 1.00 0.00 C ATOM 939 O ASN A 58 24.687 -13.733 1.508 1.00 0.00 O ATOM 940 CB ASN A 58 22.990 -11.511 2.176 1.00 0.00 C ATOM 941 CG ASN A 58 23.824 -10.392 1.536 1.00 0.00 C ATOM 942 OD1 ASN A 58 24.581 -10.608 0.595 1.00 0.00 O ATOM 943 ND2 ASN A 58 23.678 -9.179 2.032 1.00 0.00 N ATOM 0 H ASN A 58 21.323 -13.304 2.735 1.00 0.00 H new ATOM 0 HA ASN A 58 22.281 -12.093 0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 58 22.104 -11.073 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 58 23.570 -11.971 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 58 24.200 -8.399 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 58 23.043 -9.021 2.815 1.00 0.00 H new ATOM 950 N THR A 59 23.370 -14.421 -0.213 1.00 0.00 N ATOM 951 CA THR A 59 24.033 -15.699 -0.516 1.00 0.00 C ATOM 952 C THR A 59 25.201 -15.539 -1.505 1.00 0.00 C ATOM 953 O THR A 59 25.362 -14.479 -2.121 1.00 0.00 O ATOM 954 CB THR A 59 22.974 -16.724 -1.070 1.00 0.00 C ATOM 955 OG1 THR A 59 23.594 -17.985 -1.378 1.00 0.00 O ATOM 956 CG2 THR A 59 22.236 -16.199 -2.316 1.00 0.00 C ATOM 0 H THR A 59 22.653 -14.176 -0.895 1.00 0.00 H new ATOM 0 HA THR A 59 24.462 -16.077 0.412 1.00 0.00 H new ATOM 0 HB THR A 59 22.237 -16.860 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 59 23.811 -18.455 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 59 21.518 -16.946 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 59 21.710 -15.278 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 59 22.957 -16.002 -3.110 1.00 0.00 H new ATOM 964 N HIS A 60 26.009 -16.626 -1.620 1.00 0.00 N ATOM 965 CA HIS A 60 27.191 -16.714 -2.516 1.00 0.00 C ATOM 966 C HIS A 60 28.294 -15.695 -2.094 1.00 0.00 C ATOM 967 O HIS A 60 29.181 -15.327 -2.874 1.00 0.00 O ATOM 968 CB HIS A 60 26.747 -16.560 -4.012 1.00 0.00 C ATOM 969 CG HIS A 60 27.830 -16.840 -5.025 1.00 0.00 C ATOM 970 ND1 HIS A 60 28.305 -15.892 -5.906 1.00 0.00 N ATOM 971 CD2 HIS A 60 28.534 -17.971 -5.281 1.00 0.00 C ATOM 972 CE1 HIS A 60 29.251 -16.423 -6.653 1.00 0.00 C ATOM 973 NE2 HIS A 60 29.409 -17.679 -6.295 1.00 0.00 N ATOM 0 H HIS A 60 25.854 -17.479 -1.083 1.00 0.00 H new ATOM 0 HA HIS A 60 27.643 -17.701 -2.418 1.00 0.00 H new ATOM 0 HB2 HIS A 60 25.911 -17.233 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 60 26.380 -15.545 -4.165 1.00 0.00 H new ATOM 0 HD2 HIS A 60 28.426 -18.922 -4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 60 29.804 -15.913 -7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 60 30.076 -18.332 -6.706 1.00 0.00 H new ATOM 982 N GLY A 61 28.237 -15.290 -0.817 1.00 0.00 N ATOM 983 CA GLY A 61 29.160 -14.311 -0.249 1.00 0.00 C ATOM 984 C GLY A 61 28.701 -13.888 1.134 1.00 0.00 C ATOM 985 O GLY A 61 28.070 -14.690 1.836 1.00 0.00 O ATOM 0 H GLY A 61 27.546 -15.636 -0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 61 30.162 -14.737 -0.192 1.00 0.00 H new ATOM 0 HA3 GLY A 61 29.221 -13.439 -0.901 1.00 0.00 H new ATOM 989 N ALA A 62 29.062 -12.648 1.533 1.00 0.00 N ATOM 990 CA ALA A 62 28.596 -12.003 2.778 1.00 0.00 C ATOM 991 C ALA A 62 28.924 -12.850 4.035 1.00 0.00 C ATOM 992 O ALA A 62 29.943 -13.553 4.071 1.00 0.00 O ATOM 993 CB ALA A 62 27.086 -11.689 2.646 1.00 0.00 C ATOM 0 H ALA A 62 29.694 -12.060 0.990 1.00 0.00 H new ATOM 0 HA ALA A 62 29.135 -11.066 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 62 26.732 -11.213 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 62 26.926 -11.018 1.802 1.00 0.00 H new ATOM 0 HB3 ALA A 62 26.535 -12.615 2.483 1.00 0.00 H new ATOM 999 N LYS A 63 28.076 -12.748 5.075 1.00 0.00 N ATOM 1000 CA LYS A 63 28.143 -13.620 6.263 1.00 0.00 C ATOM 1001 C LYS A 63 27.752 -15.073 5.917 1.00 0.00 C ATOM 1002 O LYS A 63 28.192 -15.984 6.576 1.00 0.00 O ATOM 1003 CB LYS A 63 27.208 -13.090 7.369 1.00 0.00 C ATOM 1004 CG LYS A 63 27.519 -11.650 7.829 1.00 0.00 C ATOM 1005 CD LYS A 63 26.444 -11.092 8.785 1.00 0.00 C ATOM 1006 CE LYS A 63 25.033 -11.185 8.198 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.038 -10.550 9.094 1.00 0.00 N ATOM 0 H LYS A 63 27.325 -12.059 5.116 1.00 0.00 H new ATOM 0 HA LYS A 63 29.173 -13.613 6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.180 -13.130 7.009 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.270 -13.755 8.230 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.488 -11.632 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.597 -11.002 6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.479 -11.640 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.671 -10.051 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.009 -10.700 7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.770 -12.231 8.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.089 -10.643 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.058 -11.019 10.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.268 -9.542 9.210 1.00 0.00 H new ATOM 1021 N TYR A 64 26.928 -15.253 4.864 1.00 0.00 N ATOM 1022 CA TYR A 64 26.376 -16.572 4.438 1.00 0.00 C ATOM 1023 C TYR A 64 27.482 -17.647 4.292 1.00 0.00 C ATOM 1024 O TYR A 64 27.297 -18.806 4.687 1.00 0.00 O ATOM 1025 CB TYR A 64 25.617 -16.371 3.099 1.00 0.00 C ATOM 1026 CG TYR A 64 24.861 -17.596 2.546 1.00 0.00 C ATOM 1027 CD1 TYR A 64 25.478 -18.506 1.677 1.00 0.00 C ATOM 1028 CD2 TYR A 64 23.520 -17.817 2.865 1.00 0.00 C ATOM 1029 CE1 TYR A 64 24.783 -19.582 1.161 1.00 0.00 C ATOM 1030 CE2 TYR A 64 22.827 -18.889 2.342 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.459 -19.767 1.496 1.00 0.00 C ATOM 1032 OH TYR A 64 22.761 -20.836 0.973 1.00 0.00 O ATOM 0 H TYR A 64 26.619 -14.481 4.273 1.00 0.00 H new ATOM 0 HA TYR A 64 25.695 -16.938 5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 64 24.901 -15.559 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.334 -16.044 2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 64 26.514 -18.363 1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 64 23.015 -17.136 3.534 1.00 0.00 H new ATOM 0 HE1 TYR A 64 25.276 -20.277 0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 64 21.788 -19.038 2.598 1.00 0.00 H new ATOM 0 HH TYR A 64 22.097 -20.510 0.330 1.00 0.00 H new ATOM 1042 N ARG A 65 28.635 -17.223 3.749 1.00 0.00 N ATOM 1043 CA ARG A 65 29.811 -18.093 3.542 1.00 0.00 C ATOM 1044 C ARG A 65 30.583 -18.290 4.867 1.00 0.00 C ATOM 1045 O ARG A 65 31.075 -19.385 5.145 1.00 0.00 O ATOM 1046 CB ARG A 65 30.742 -17.499 2.442 1.00 0.00 C ATOM 1047 CG ARG A 65 31.311 -16.100 2.775 1.00 0.00 C ATOM 1048 CD ARG A 65 32.246 -15.525 1.697 1.00 0.00 C ATOM 1049 NE ARG A 65 32.710 -14.170 2.065 1.00 0.00 N ATOM 1050 CZ ARG A 65 33.915 -13.865 2.590 1.00 0.00 C ATOM 1051 NH1 ARG A 65 34.836 -14.805 2.785 1.00 0.00 N ATOM 1052 NH2 ARG A 65 34.188 -12.610 2.907 1.00 0.00 N ATOM 0 H ARG A 65 28.781 -16.262 3.439 1.00 0.00 H new ATOM 0 HA ARG A 65 29.463 -19.069 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.572 -18.186 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.186 -17.439 1.506 1.00 0.00 H new ATOM 0 HG2 ARG A 65 30.481 -15.409 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.854 -16.156 3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.104 -16.184 1.566 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.724 -15.487 0.741 1.00 0.00 H new ATOM 0 HE ARG A 65 32.062 -13.398 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.636 -15.774 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 65 35.742 -14.557 3.183 1.00 0.00 H new ATOM 0 HH21 ARG A 65 33.490 -11.882 2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.096 -12.370 3.304 1.00 0.00 H new ATOM 1066 N GLU A 66 30.651 -17.216 5.682 1.00 0.00 N ATOM 1067 CA GLU A 66 31.330 -17.218 6.995 1.00 0.00 C ATOM 1068 C GLU A 66 30.664 -18.227 7.950 1.00 0.00 C ATOM 1069 O GLU A 66 31.337 -18.981 8.659 1.00 0.00 O ATOM 1070 CB GLU A 66 31.294 -15.782 7.594 1.00 0.00 C ATOM 1071 CG GLU A 66 31.935 -15.620 8.989 1.00 0.00 C ATOM 1072 CD GLU A 66 33.439 -15.953 9.022 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.238 -15.168 8.469 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.824 -17.007 9.582 1.00 0.00 O ATOM 0 H GLU A 66 30.233 -16.316 5.445 1.00 0.00 H new ATOM 0 HA GLU A 66 32.368 -17.523 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.799 -15.107 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.255 -15.459 7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.792 -14.594 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.413 -16.265 9.696 1.00 0.00 H new ATOM 1081 N LEU A 67 29.328 -18.249 7.915 1.00 0.00 N ATOM 1082 CA LEU A 67 28.496 -19.134 8.745 1.00 0.00 C ATOM 1083 C LEU A 67 28.429 -20.545 8.122 1.00 0.00 C ATOM 1084 O LEU A 67 28.132 -21.521 8.824 1.00 0.00 O ATOM 1085 CB LEU A 67 27.066 -18.542 8.867 1.00 0.00 C ATOM 1086 CG LEU A 67 26.967 -17.025 9.242 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.499 -16.543 9.261 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.679 -16.702 10.578 1.00 0.00 C ATOM 0 H LEU A 67 28.783 -17.644 7.301 1.00 0.00 H new ATOM 0 HA LEU A 67 28.941 -19.211 9.737 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.552 -18.693 7.918 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.522 -19.115 9.618 1.00 0.00 H new ATOM 0 HG LEU A 67 27.491 -16.474 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.467 -15.486 9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.057 -16.685 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.937 -17.118 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.582 -15.638 10.794 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.222 -17.279 11.382 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.735 -16.962 10.500 1.00 0.00 H new ATOM 1100 N ASP A 68 28.719 -20.615 6.798 1.00 0.00 N ATOM 1101 CA ASP A 68 28.573 -21.829 5.964 1.00 0.00 C ATOM 1102 C ASP A 68 27.118 -22.321 5.988 1.00 0.00 C ATOM 1103 O ASP A 68 26.852 -23.520 6.168 1.00 0.00 O ATOM 1104 CB ASP A 68 29.566 -22.965 6.380 1.00 0.00 C ATOM 1105 CG ASP A 68 31.048 -22.622 6.137 1.00 0.00 C ATOM 1106 OD1 ASP A 68 31.449 -22.474 4.959 1.00 0.00 O ATOM 1107 OD2 ASP A 68 31.821 -22.521 7.114 1.00 0.00 O ATOM 0 H ASP A 68 29.067 -19.813 6.273 1.00 0.00 H new ATOM 0 HA ASP A 68 28.832 -21.556 4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 68 29.424 -23.188 7.437 1.00 0.00 H new ATOM 0 HB3 ASP A 68 29.318 -23.871 5.827 1.00 0.00 H new ATOM 1112 N LEU A 69 26.175 -21.373 5.790 1.00 0.00 N ATOM 1113 CA LEU A 69 24.737 -21.677 5.797 1.00 0.00 C ATOM 1114 C LEU A 69 24.372 -22.681 4.700 1.00 0.00 C ATOM 1115 O LEU A 69 23.546 -23.533 4.937 1.00 0.00 O ATOM 1116 CB LEU A 69 23.858 -20.411 5.641 1.00 0.00 C ATOM 1117 CG LEU A 69 23.905 -19.371 6.799 1.00 0.00 C ATOM 1118 CD1 LEU A 69 22.940 -18.203 6.517 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.591 -20.028 8.165 1.00 0.00 C ATOM 0 H LEU A 69 26.391 -20.390 5.623 1.00 0.00 H new ATOM 0 HA LEU A 69 24.532 -22.115 6.774 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.151 -19.906 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.824 -20.730 5.514 1.00 0.00 H new ATOM 0 HG LEU A 69 24.920 -18.976 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 69 22.987 -17.486 7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.227 -17.710 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 69 21.923 -18.585 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.633 -19.273 8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.594 -20.467 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.325 -20.807 8.371 1.00 0.00 H new ATOM 1131 N LYS A 70 25.015 -22.589 3.520 1.00 0.00 N ATOM 1132 CA LYS A 70 24.683 -23.450 2.360 1.00 0.00 C ATOM 1133 C LYS A 70 24.743 -24.957 2.730 1.00 0.00 C ATOM 1134 O LYS A 70 23.871 -25.745 2.330 1.00 0.00 O ATOM 1135 CB LYS A 70 25.627 -23.139 1.162 1.00 0.00 C ATOM 1136 CG LYS A 70 25.228 -23.819 -0.171 1.00 0.00 C ATOM 1137 CD LYS A 70 23.796 -23.448 -0.620 1.00 0.00 C ATOM 1138 CE LYS A 70 23.359 -24.170 -1.900 1.00 0.00 C ATOM 1139 NZ LYS A 70 21.953 -23.841 -2.259 1.00 0.00 N ATOM 0 H LYS A 70 25.770 -21.926 3.341 1.00 0.00 H new ATOM 0 HA LYS A 70 23.658 -23.226 2.064 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.655 -22.060 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.638 -23.450 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 70 25.935 -23.530 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.301 -24.901 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.097 -23.688 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.740 -22.371 -0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.020 -23.890 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.458 -25.247 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.690 -24.346 -3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.320 -24.131 -1.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.865 -22.816 -2.413 1.00 0.00 H new ATOM 1153 N ASN A 71 25.741 -25.299 3.570 1.00 0.00 N ATOM 1154 CA ASN A 71 25.976 -26.670 4.066 1.00 0.00 C ATOM 1155 C ASN A 71 24.785 -27.184 4.897 1.00 0.00 C ATOM 1156 O ASN A 71 24.387 -28.348 4.772 1.00 0.00 O ATOM 1157 CB ASN A 71 27.272 -26.707 4.922 1.00 0.00 C ATOM 1158 CG ASN A 71 27.644 -28.107 5.440 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.428 -29.116 4.771 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.204 -28.179 6.641 1.00 0.00 N ATOM 0 H ASN A 71 26.415 -24.622 3.927 1.00 0.00 H new ATOM 0 HA ASN A 71 26.088 -27.324 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.099 -26.320 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.152 -26.037 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.465 -29.086 7.028 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.373 -27.328 7.177 1.00 0.00 H new ATOM 1167 N LYS A 72 24.224 -26.311 5.756 1.00 0.00 N ATOM 1168 CA LYS A 72 23.063 -26.673 6.585 1.00 0.00 C ATOM 1169 C LYS A 72 21.759 -26.570 5.766 1.00 0.00 C ATOM 1170 O LYS A 72 20.877 -27.392 5.940 1.00 0.00 O ATOM 1171 CB LYS A 72 22.995 -25.827 7.903 1.00 0.00 C ATOM 1172 CG LYS A 72 22.671 -24.336 7.732 1.00 0.00 C ATOM 1173 CD LYS A 72 22.677 -23.553 9.070 1.00 0.00 C ATOM 1174 CE LYS A 72 21.469 -23.863 9.965 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.491 -23.114 11.244 1.00 0.00 N ATOM 0 H LYS A 72 24.555 -25.356 5.892 1.00 0.00 H new ATOM 0 HA LYS A 72 23.184 -27.711 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.243 -26.269 8.556 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.953 -25.913 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.397 -23.888 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.692 -24.235 7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.592 -23.786 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.697 -22.484 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.553 -23.624 9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.445 -24.932 10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.627 -23.324 11.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.324 -23.398 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.537 -22.094 11.048 1.00 0.00 H new ATOM 1189 N LEU A 73 21.669 -25.603 4.817 1.00 0.00 N ATOM 1190 CA LEU A 73 20.412 -25.314 4.078 1.00 0.00 C ATOM 1191 C LEU A 73 20.034 -26.464 3.129 1.00 0.00 C ATOM 1192 O LEU A 73 18.843 -26.758 2.935 1.00 0.00 O ATOM 1193 CB LEU A 73 20.469 -23.970 3.284 1.00 0.00 C ATOM 1194 CG LEU A 73 20.697 -22.655 4.112 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.407 -21.392 3.276 1.00 0.00 C ATOM 1196 CD2 LEU A 73 19.898 -22.648 5.427 1.00 0.00 C ATOM 0 H LEU A 73 22.453 -25.010 4.545 1.00 0.00 H new ATOM 0 HA LEU A 73 19.639 -25.215 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.268 -24.047 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.535 -23.864 2.732 1.00 0.00 H new ATOM 0 HG LEU A 73 21.754 -22.638 4.378 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.577 -20.505 3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.069 -21.369 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.370 -21.408 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.089 -21.719 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.834 -22.728 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.205 -23.493 6.044 1.00 0.00 H new ATOM 1208 N GLN A 74 21.057 -27.119 2.554 1.00 0.00 N ATOM 1209 CA GLN A 74 20.860 -28.247 1.616 1.00 0.00 C ATOM 1210 C GLN A 74 20.332 -29.523 2.320 1.00 0.00 C ATOM 1211 O GLN A 74 19.938 -30.480 1.643 1.00 0.00 O ATOM 1212 CB GLN A 74 22.169 -28.516 0.810 1.00 0.00 C ATOM 1213 CG GLN A 74 23.433 -28.854 1.638 1.00 0.00 C ATOM 1214 CD GLN A 74 23.571 -30.324 2.062 1.00 0.00 C ATOM 1215 OE1 GLN A 74 23.125 -30.727 3.132 1.00 0.00 O ATOM 1216 NE2 GLN A 74 24.178 -31.139 1.214 1.00 0.00 N ATOM 0 H GLN A 74 22.036 -26.888 2.721 1.00 0.00 H new ATOM 0 HA GLN A 74 20.081 -27.959 0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 74 21.982 -29.340 0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.383 -27.636 0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 74 24.312 -28.578 1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.436 -28.233 2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 74 24.540 -30.779 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 74 24.284 -32.127 1.444 1.00 0.00 H new ATOM 1225 N THR A 75 20.329 -29.548 3.673 1.00 0.00 N ATOM 1226 CA THR A 75 19.792 -30.696 4.441 1.00 0.00 C ATOM 1227 C THR A 75 18.538 -30.319 5.257 1.00 0.00 C ATOM 1228 O THR A 75 17.627 -31.154 5.400 1.00 0.00 O ATOM 1229 CB THR A 75 20.871 -31.352 5.373 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.319 -32.500 6.047 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.468 -30.380 6.412 1.00 0.00 C ATOM 0 H THR A 75 20.690 -28.791 4.253 1.00 0.00 H new ATOM 0 HA THR A 75 19.500 -31.436 3.696 1.00 0.00 H new ATOM 0 HB THR A 75 21.689 -31.653 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 75 21.003 -32.901 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.206 -30.905 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 75 21.948 -29.547 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.673 -30.001 7.054 1.00 0.00 H new ATOM 1239 N LEU A 76 18.474 -29.081 5.801 1.00 0.00 N ATOM 1240 CA LEU A 76 17.346 -28.680 6.675 1.00 0.00 C ATOM 1241 C LEU A 76 16.082 -28.308 5.873 1.00 0.00 C ATOM 1242 O LEU A 76 16.114 -28.230 4.635 1.00 0.00 O ATOM 1243 CB LEU A 76 17.750 -27.562 7.697 1.00 0.00 C ATOM 1244 CG LEU A 76 18.362 -26.209 7.195 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.416 -25.374 6.328 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.870 -25.375 8.383 1.00 0.00 C ATOM 0 H LEU A 76 19.175 -28.355 5.654 1.00 0.00 H new ATOM 0 HA LEU A 76 17.089 -29.560 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.859 -27.317 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.468 -28.003 8.389 1.00 0.00 H new ATOM 0 HG LEU A 76 19.195 -26.485 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 76 17.917 -24.455 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.135 -25.945 5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.522 -25.127 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.292 -24.439 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 76 18.041 -25.160 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.638 -25.934 8.918 1.00 0.00 H new ATOM 1258 N SER A 77 14.987 -28.055 6.611 1.00 0.00 N ATOM 1259 CA SER A 77 13.675 -27.712 6.043 1.00 0.00 C ATOM 1260 C SER A 77 13.639 -26.223 5.668 1.00 0.00 C ATOM 1261 O SER A 77 14.324 -25.412 6.296 1.00 0.00 O ATOM 1262 CB SER A 77 12.572 -28.045 7.076 1.00 0.00 C ATOM 1263 OG SER A 77 12.644 -29.405 7.479 1.00 0.00 O ATOM 0 H SER A 77 14.990 -28.084 7.631 1.00 0.00 H new ATOM 0 HA SER A 77 13.501 -28.294 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.678 -27.398 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.592 -27.841 6.645 1.00 0.00 H new ATOM 0 HG SER A 77 11.938 -29.590 8.133 1.00 0.00 H new ATOM 1269 N ASP A 78 12.822 -25.864 4.664 1.00 0.00 N ATOM 1270 CA ASP A 78 12.686 -24.462 4.214 1.00 0.00 C ATOM 1271 C ASP A 78 12.150 -23.556 5.334 1.00 0.00 C ATOM 1272 O ASP A 78 12.356 -22.351 5.293 1.00 0.00 O ATOM 1273 CB ASP A 78 11.785 -24.359 2.962 1.00 0.00 C ATOM 1274 CG ASP A 78 12.375 -25.094 1.750 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.287 -24.553 1.089 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.955 -26.240 1.474 1.00 0.00 O ATOM 0 H ASP A 78 12.243 -26.524 4.145 1.00 0.00 H new ATOM 0 HA ASP A 78 13.685 -24.115 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.803 -24.772 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.638 -23.309 2.710 1.00 0.00 H new ATOM 1281 N ASP A 79 11.480 -24.158 6.334 1.00 0.00 N ATOM 1282 CA ASP A 79 10.984 -23.431 7.518 1.00 0.00 C ATOM 1283 C ASP A 79 12.145 -22.929 8.401 1.00 0.00 C ATOM 1284 O ASP A 79 12.047 -21.868 9.001 1.00 0.00 O ATOM 1285 CB ASP A 79 10.005 -24.303 8.342 1.00 0.00 C ATOM 1286 CG ASP A 79 9.231 -23.500 9.415 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.439 -22.614 9.032 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.406 -23.746 10.627 1.00 0.00 O ATOM 0 H ASP A 79 11.268 -25.156 6.345 1.00 0.00 H new ATOM 0 HA ASP A 79 10.439 -22.559 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.292 -24.776 7.666 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.562 -25.104 8.828 1.00 0.00 H new ATOM 1293 N GLU A 80 13.246 -23.698 8.446 1.00 0.00 N ATOM 1294 CA GLU A 80 14.474 -23.327 9.187 1.00 0.00 C ATOM 1295 C GLU A 80 15.249 -22.230 8.440 1.00 0.00 C ATOM 1296 O GLU A 80 15.910 -21.388 9.062 1.00 0.00 O ATOM 1297 CB GLU A 80 15.346 -24.581 9.409 1.00 0.00 C ATOM 1298 CG GLU A 80 14.648 -25.674 10.236 1.00 0.00 C ATOM 1299 CD GLU A 80 15.454 -26.971 10.351 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.462 -26.994 11.090 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.085 -27.972 9.699 1.00 0.00 O ATOM 0 H GLU A 80 13.314 -24.597 7.970 1.00 0.00 H new ATOM 0 HA GLU A 80 14.196 -22.923 10.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.628 -24.994 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.268 -24.289 9.912 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.451 -25.289 11.237 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.681 -25.897 9.784 1.00 0.00 H new ATOM 1308 N LYS A 81 15.152 -22.252 7.101 1.00 0.00 N ATOM 1309 CA LYS A 81 15.650 -21.154 6.250 1.00 0.00 C ATOM 1310 C LYS A 81 14.871 -19.850 6.554 1.00 0.00 C ATOM 1311 O LYS A 81 15.465 -18.770 6.720 1.00 0.00 O ATOM 1312 CB LYS A 81 15.496 -21.517 4.753 1.00 0.00 C ATOM 1313 CG LYS A 81 16.213 -22.799 4.315 1.00 0.00 C ATOM 1314 CD LYS A 81 16.017 -23.119 2.820 1.00 0.00 C ATOM 1315 CE LYS A 81 16.586 -24.495 2.435 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.313 -24.836 1.019 1.00 0.00 N ATOM 0 H LYS A 81 14.731 -23.022 6.580 1.00 0.00 H new ATOM 0 HA LYS A 81 16.707 -21.000 6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.434 -21.618 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.871 -20.687 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.278 -22.702 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 81 15.847 -23.635 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 81 14.954 -23.089 2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.500 -22.348 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.662 -24.503 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.154 -25.259 3.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.654 -25.798 0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.289 -24.788 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.804 -24.161 0.399 1.00 0.00 H new ATOM 1330 N LEU A 82 13.534 -19.993 6.653 1.00 0.00 N ATOM 1331 CA LEU A 82 12.610 -18.903 7.026 1.00 0.00 C ATOM 1332 C LEU A 82 12.958 -18.337 8.416 1.00 0.00 C ATOM 1333 O LEU A 82 12.909 -17.121 8.627 1.00 0.00 O ATOM 1334 CB LEU A 82 11.147 -19.427 7.022 1.00 0.00 C ATOM 1335 CG LEU A 82 10.548 -19.799 5.629 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.236 -20.600 5.764 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.320 -18.543 4.788 1.00 0.00 C ATOM 0 H LEU A 82 13.060 -20.878 6.474 1.00 0.00 H new ATOM 0 HA LEU A 82 12.712 -18.102 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.098 -20.308 7.662 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.511 -18.667 7.476 1.00 0.00 H new ATOM 0 HG LEU A 82 11.273 -20.436 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.852 -20.839 4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.428 -21.523 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.500 -20.004 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.902 -18.823 3.821 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.626 -17.880 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.269 -18.029 4.638 1.00 0.00 H new ATOM 1349 N GLU A 83 13.320 -19.249 9.346 1.00 0.00 N ATOM 1350 CA GLU A 83 13.759 -18.887 10.701 1.00 0.00 C ATOM 1351 C GLU A 83 14.996 -17.974 10.648 1.00 0.00 C ATOM 1352 O GLU A 83 14.992 -16.909 11.248 1.00 0.00 O ATOM 1353 CB GLU A 83 14.062 -20.148 11.561 1.00 0.00 C ATOM 1354 CG GLU A 83 12.830 -20.991 11.947 1.00 0.00 C ATOM 1355 CD GLU A 83 13.169 -22.199 12.835 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.424 -22.004 14.044 1.00 0.00 O ATOM 1357 OE2 GLU A 83 13.189 -23.341 12.341 1.00 0.00 O ATOM 0 H GLU A 83 13.314 -20.254 9.173 1.00 0.00 H new ATOM 0 HA GLU A 83 12.940 -18.345 11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.759 -20.782 11.014 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.567 -19.833 12.474 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.114 -20.356 12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.341 -21.343 11.039 1.00 0.00 H new ATOM 1364 N LEU A 84 16.028 -18.394 9.896 1.00 0.00 N ATOM 1365 CA LEU A 84 17.296 -17.637 9.745 1.00 0.00 C ATOM 1366 C LEU A 84 17.058 -16.209 9.204 1.00 0.00 C ATOM 1367 O LEU A 84 17.614 -15.228 9.735 1.00 0.00 O ATOM 1368 CB LEU A 84 18.260 -18.418 8.821 1.00 0.00 C ATOM 1369 CG LEU A 84 18.785 -19.777 9.394 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.510 -20.602 8.316 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.700 -19.551 10.621 1.00 0.00 C ATOM 0 H LEU A 84 16.012 -19.269 9.372 1.00 0.00 H new ATOM 0 HA LEU A 84 17.746 -17.531 10.732 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.752 -18.613 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.117 -17.782 8.597 1.00 0.00 H new ATOM 0 HG LEU A 84 17.916 -20.348 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.861 -21.539 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.822 -20.816 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.361 -20.037 7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.049 -20.513 10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.556 -18.943 10.329 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.140 -19.038 11.403 1.00 0.00 H new ATOM 1383 N LEU A 85 16.195 -16.109 8.177 1.00 0.00 N ATOM 1384 CA LEU A 85 15.801 -14.815 7.590 1.00 0.00 C ATOM 1385 C LEU A 85 15.103 -13.912 8.637 1.00 0.00 C ATOM 1386 O LEU A 85 15.371 -12.712 8.707 1.00 0.00 O ATOM 1387 CB LEU A 85 14.856 -15.035 6.381 1.00 0.00 C ATOM 1388 CG LEU A 85 15.457 -15.783 5.152 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.399 -15.955 4.044 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.719 -15.069 4.606 1.00 0.00 C ATOM 0 H LEU A 85 15.754 -16.915 7.734 1.00 0.00 H new ATOM 0 HA LEU A 85 16.709 -14.315 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 85 13.985 -15.592 6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.499 -14.061 6.046 1.00 0.00 H new ATOM 0 HG LEU A 85 15.764 -16.773 5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.841 -16.479 3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.559 -16.532 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.048 -14.975 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.108 -15.621 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.459 -14.057 4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.479 -15.026 5.386 1.00 0.00 H new ATOM 1402 N SER A 86 14.211 -14.518 9.443 1.00 0.00 N ATOM 1403 CA SER A 86 13.460 -13.812 10.505 1.00 0.00 C ATOM 1404 C SER A 86 14.357 -13.469 11.712 1.00 0.00 C ATOM 1405 O SER A 86 14.060 -12.544 12.476 1.00 0.00 O ATOM 1406 CB SER A 86 12.279 -14.688 10.960 1.00 0.00 C ATOM 1407 OG SER A 86 11.446 -15.029 9.870 1.00 0.00 O ATOM 0 H SER A 86 13.989 -15.511 9.378 1.00 0.00 H new ATOM 0 HA SER A 86 13.093 -12.872 10.094 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.656 -15.596 11.431 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.697 -14.156 11.713 1.00 0.00 H new ATOM 0 HG SER A 86 11.859 -15.755 9.357 1.00 0.00 H new ATOM 1413 N SER A 87 15.447 -14.239 11.871 1.00 0.00 N ATOM 1414 CA SER A 87 16.403 -14.078 12.970 1.00 0.00 C ATOM 1415 C SER A 87 17.385 -12.931 12.689 1.00 0.00 C ATOM 1416 O SER A 87 17.897 -12.310 13.635 1.00 0.00 O ATOM 1417 CB SER A 87 17.161 -15.401 13.210 1.00 0.00 C ATOM 1418 OG SER A 87 16.281 -16.430 13.634 1.00 0.00 O ATOM 0 H SER A 87 15.688 -14.997 11.232 1.00 0.00 H new ATOM 0 HA SER A 87 15.848 -13.822 13.873 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.665 -15.706 12.293 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.934 -15.248 13.963 1.00 0.00 H new ATOM 0 HG SER A 87 15.719 -16.711 12.882 1.00 0.00 H new ATOM 1424 N ASP A 88 17.655 -12.645 11.394 1.00 0.00 N ATOM 1425 CA ASP A 88 18.544 -11.527 11.019 1.00 0.00 C ATOM 1426 C ASP A 88 18.143 -10.922 9.660 1.00 0.00 C ATOM 1427 O ASP A 88 18.083 -11.638 8.654 1.00 0.00 O ATOM 1428 CB ASP A 88 20.016 -12.012 10.980 1.00 0.00 C ATOM 1429 CG ASP A 88 21.023 -10.865 11.081 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.370 -10.451 12.214 1.00 0.00 O ATOM 1431 OD2 ASP A 88 21.456 -10.351 10.040 1.00 0.00 O ATOM 0 H ASP A 88 17.275 -13.166 10.604 1.00 0.00 H new ATOM 0 HA ASP A 88 18.443 -10.746 11.773 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.185 -12.711 11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.188 -12.560 10.054 1.00 0.00 H new ATOM 1436 N GLY A 89 17.913 -9.594 9.637 1.00 0.00 N ATOM 1437 CA GLY A 89 17.545 -8.879 8.410 1.00 0.00 C ATOM 1438 C GLY A 89 18.704 -8.680 7.434 1.00 0.00 C ATOM 1439 O GLY A 89 18.476 -8.359 6.264 1.00 0.00 O ATOM 0 H GLY A 89 17.977 -8.997 10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.750 -9.429 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.138 -7.904 8.678 1.00 0.00 H new ATOM 1443 N MET A 90 19.947 -8.843 7.924 1.00 0.00 N ATOM 1444 CA MET A 90 21.163 -8.776 7.086 1.00 0.00 C ATOM 1445 C MET A 90 21.540 -10.175 6.566 1.00 0.00 C ATOM 1446 O MET A 90 22.423 -10.309 5.708 1.00 0.00 O ATOM 1447 CB MET A 90 22.338 -8.149 7.874 1.00 0.00 C ATOM 1448 CG MET A 90 22.120 -6.725 8.418 1.00 0.00 C ATOM 1449 SD MET A 90 22.204 -5.411 7.164 1.00 0.00 S ATOM 1450 CE MET A 90 20.574 -5.424 6.415 1.00 0.00 C ATOM 0 H MET A 90 20.138 -9.025 8.909 1.00 0.00 H new ATOM 0 HA MET A 90 20.952 -8.138 6.228 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.572 -8.803 8.714 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.214 -8.136 7.226 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.146 -6.682 8.905 1.00 0.00 H new ATOM 0 HG3 MET A 90 22.869 -6.525 9.185 1.00 0.00 H new ATOM 0 HE1 MET A 90 20.250 -4.400 6.232 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.612 -5.967 5.471 1.00 0.00 H new ATOM 0 HE3 MET A 90 19.869 -5.913 7.087 1.00 0.00 H new ATOM 1460 N LEU A 91 20.892 -11.220 7.128 1.00 0.00 N ATOM 1461 CA LEU A 91 20.875 -12.567 6.524 1.00 0.00 C ATOM 1462 C LEU A 91 19.988 -12.574 5.281 1.00 0.00 C ATOM 1463 O LEU A 91 20.168 -13.410 4.396 1.00 0.00 O ATOM 1464 CB LEU A 91 20.415 -13.662 7.538 1.00 0.00 C ATOM 1465 CG LEU A 91 21.549 -14.330 8.374 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.001 -15.480 9.250 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.680 -14.819 7.448 1.00 0.00 C ATOM 0 H LEU A 91 20.372 -11.153 8.003 1.00 0.00 H new ATOM 0 HA LEU A 91 21.897 -12.811 6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.697 -13.215 8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 91 19.887 -14.441 6.988 1.00 0.00 H new ATOM 0 HG LEU A 91 21.961 -13.581 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.817 -15.924 9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.250 -15.089 9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.549 -16.239 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.465 -15.283 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.283 -15.548 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.094 -13.972 6.901 1.00 0.00 H new ATOM 1479 N VAL A 92 19.025 -11.648 5.243 1.00 0.00 N ATOM 1480 CA VAL A 92 18.204 -11.402 4.050 1.00 0.00 C ATOM 1481 C VAL A 92 18.937 -10.373 3.157 1.00 0.00 C ATOM 1482 O VAL A 92 19.838 -9.657 3.625 1.00 0.00 O ATOM 1483 CB VAL A 92 16.753 -10.883 4.414 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.736 -11.160 3.270 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.242 -11.469 5.745 1.00 0.00 C ATOM 0 H VAL A 92 18.792 -11.049 6.035 1.00 0.00 H new ATOM 0 HA VAL A 92 18.071 -12.345 3.519 1.00 0.00 H new ATOM 0 HB VAL A 92 16.837 -9.803 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.753 -10.789 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.063 -10.653 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.679 -12.233 3.086 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.243 -11.084 5.952 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.204 -12.556 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.916 -11.182 6.552 1.00 0.00 H new ATOM 1495 N LYS A 93 18.570 -10.321 1.869 1.00 0.00 N ATOM 1496 CA LYS A 93 19.122 -9.346 0.919 1.00 0.00 C ATOM 1497 C LYS A 93 18.681 -7.931 1.311 1.00 0.00 C ATOM 1498 O LYS A 93 17.480 -7.676 1.449 1.00 0.00 O ATOM 1499 CB LYS A 93 18.644 -9.653 -0.529 1.00 0.00 C ATOM 1500 CG LYS A 93 19.163 -10.981 -1.126 1.00 0.00 C ATOM 1501 CD LYS A 93 20.680 -10.978 -1.437 1.00 0.00 C ATOM 1502 CE LYS A 93 21.086 -9.972 -2.523 1.00 0.00 C ATOM 1503 NZ LYS A 93 22.542 -10.038 -2.809 1.00 0.00 N ATOM 0 H LYS A 93 17.883 -10.953 1.457 1.00 0.00 H new ATOM 0 HA LYS A 93 20.209 -9.415 0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.554 -9.670 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.956 -8.835 -1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.946 -11.791 -0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.614 -11.195 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 93 21.229 -10.753 -0.523 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.979 -11.978 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.525 -10.174 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.822 -8.964 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.783 -9.346 -3.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.076 -9.821 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.788 -10.994 -3.137 1.00 0.00 H new ATOM 1517 N ARG A 94 19.669 -7.034 1.510 1.00 0.00 N ATOM 1518 CA ARG A 94 19.422 -5.588 1.686 1.00 0.00 C ATOM 1519 C ARG A 94 18.532 -5.034 0.536 1.00 0.00 C ATOM 1520 O ARG A 94 17.550 -4.380 0.828 1.00 0.00 O ATOM 1521 CB ARG A 94 20.756 -4.791 1.797 1.00 0.00 C ATOM 1522 CG ARG A 94 21.662 -5.222 2.963 1.00 0.00 C ATOM 1523 CD ARG A 94 23.029 -4.513 2.974 1.00 0.00 C ATOM 1524 NE ARG A 94 22.911 -3.044 3.114 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.930 -2.219 3.428 1.00 0.00 C ATOM 1526 NH1 ARG A 94 25.128 -2.697 3.725 1.00 0.00 N ATOM 1527 NH2 ARG A 94 23.738 -0.912 3.471 1.00 0.00 N ATOM 0 H ARG A 94 20.655 -7.290 1.553 1.00 0.00 H new ATOM 0 HA ARG A 94 18.884 -5.455 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 94 21.309 -4.901 0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.524 -3.732 1.907 1.00 0.00 H new ATOM 0 HG2 ARG A 94 21.150 -5.021 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.821 -6.299 2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 94 23.630 -4.905 3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 94 23.561 -4.744 2.051 1.00 0.00 H new ATOM 0 HE ARG A 94 21.993 -2.626 2.962 1.00 0.00 H new ATOM 0 HH11 ARG A 94 25.291 -3.704 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 94 25.888 -2.059 3.960 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.817 -0.525 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.511 -0.291 3.709 1.00 0.00 H new ATOM 1541 N PRO A 95 18.835 -5.297 -0.795 1.00 0.00 N ATOM 1542 CA PRO A 95 17.910 -4.923 -1.884 1.00 0.00 C ATOM 1543 C PRO A 95 16.805 -5.985 -2.114 1.00 0.00 C ATOM 1544 O PRO A 95 17.050 -7.054 -2.705 1.00 0.00 O ATOM 1545 CB PRO A 95 18.848 -4.793 -3.095 1.00 0.00 C ATOM 1546 CG PRO A 95 19.931 -5.804 -2.854 1.00 0.00 C ATOM 1547 CD PRO A 95 20.082 -5.916 -1.351 1.00 0.00 C ATOM 0 HA PRO A 95 17.351 -4.011 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.320 -4.994 -4.027 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.258 -3.786 -3.171 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.668 -6.767 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.867 -5.489 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.180 -6.956 -1.040 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.973 -5.393 -1.003 1.00 0.00 H new ATOM 1555 N LEU A 96 15.602 -5.680 -1.615 1.00 0.00 N ATOM 1556 CA LEU A 96 14.397 -6.487 -1.845 1.00 0.00 C ATOM 1557 C LEU A 96 13.194 -5.531 -1.935 1.00 0.00 C ATOM 1558 O LEU A 96 13.165 -4.489 -1.287 1.00 0.00 O ATOM 1559 CB LEU A 96 14.241 -7.574 -0.718 1.00 0.00 C ATOM 1560 CG LEU A 96 12.950 -8.496 -0.750 1.00 0.00 C ATOM 1561 CD1 LEU A 96 13.227 -9.907 -0.170 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.752 -7.865 -0.008 1.00 0.00 C ATOM 0 H LEU A 96 15.435 -4.858 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 96 14.466 -7.039 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 96 15.116 -8.223 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.264 -7.063 0.245 1.00 0.00 H new ATOM 0 HG LEU A 96 12.689 -8.592 -1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.315 -10.503 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.007 -10.394 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.554 -9.817 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.896 -8.538 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 96 12.018 -7.698 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.495 -6.914 -0.474 1.00 0.00 H new ATOM 1574 N ALA A 97 12.232 -5.884 -2.781 1.00 0.00 N ATOM 1575 CA ALA A 97 10.959 -5.172 -2.909 1.00 0.00 C ATOM 1576 C ALA A 97 9.880 -6.218 -3.137 1.00 0.00 C ATOM 1577 O ALA A 97 9.888 -6.880 -4.164 1.00 0.00 O ATOM 1578 CB ALA A 97 11.013 -4.159 -4.066 1.00 0.00 C ATOM 0 H ALA A 97 12.313 -6.685 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 97 10.743 -4.600 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.056 -3.642 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.804 -3.433 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.217 -4.683 -4.999 1.00 0.00 H new ATOM 1584 N VAL A 98 8.996 -6.422 -2.156 1.00 0.00 N ATOM 1585 CA VAL A 98 7.950 -7.459 -2.225 1.00 0.00 C ATOM 1586 C VAL A 98 6.557 -6.820 -2.197 1.00 0.00 C ATOM 1587 O VAL A 98 6.362 -5.754 -1.618 1.00 0.00 O ATOM 1588 CB VAL A 98 8.115 -8.523 -1.063 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.908 -7.912 0.345 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.199 -9.752 -1.280 1.00 0.00 C ATOM 0 H VAL A 98 8.981 -5.878 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 98 8.063 -7.990 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 98 9.150 -8.863 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.033 -8.688 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.641 -7.123 0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.904 -7.495 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.340 -10.460 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.158 -9.430 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.453 -10.233 -2.225 1.00 0.00 H new ATOM 1600 N MET A 99 5.618 -7.476 -2.866 1.00 0.00 N ATOM 1601 CA MET A 99 4.196 -7.116 -2.871 1.00 0.00 C ATOM 1602 C MET A 99 3.396 -8.398 -2.508 1.00 0.00 C ATOM 1603 O MET A 99 3.995 -9.431 -2.173 1.00 0.00 O ATOM 1604 CB MET A 99 3.800 -6.557 -4.283 1.00 0.00 C ATOM 1605 CG MET A 99 2.535 -5.672 -4.302 1.00 0.00 C ATOM 1606 SD MET A 99 1.581 -5.823 -5.835 1.00 0.00 S ATOM 1607 CE MET A 99 2.677 -5.077 -7.043 1.00 0.00 C ATOM 0 H MET A 99 5.824 -8.296 -3.437 1.00 0.00 H new ATOM 0 HA MET A 99 3.974 -6.334 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.636 -5.978 -4.676 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.648 -7.397 -4.960 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.899 -5.940 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.826 -4.631 -4.164 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.114 -4.379 -7.662 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.476 -4.543 -6.529 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.108 -5.855 -7.673 1.00 0.00 H new ATOM 1617 N GLY A 100 2.058 -8.336 -2.569 1.00 0.00 N ATOM 1618 CA GLY A 100 1.214 -9.516 -2.338 1.00 0.00 C ATOM 1619 C GLY A 100 1.134 -10.473 -3.526 1.00 0.00 C ATOM 1620 O GLY A 100 0.516 -11.539 -3.425 1.00 0.00 O ATOM 0 H GLY A 100 1.538 -7.483 -2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.597 -10.059 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.207 -9.184 -2.085 1.00 0.00 H new ATOM 1624 N ASP A 101 1.751 -10.093 -4.659 1.00 0.00 N ATOM 1625 CA ASP A 101 1.669 -10.850 -5.928 1.00 0.00 C ATOM 1626 C ASP A 101 3.060 -11.032 -6.547 1.00 0.00 C ATOM 1627 O ASP A 101 3.383 -12.104 -7.065 1.00 0.00 O ATOM 1628 CB ASP A 101 0.759 -10.104 -6.944 1.00 0.00 C ATOM 1629 CG ASP A 101 -0.707 -9.993 -6.496 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -1.028 -9.074 -5.706 1.00 0.00 O ATOM 1631 OD2 ASP A 101 -1.544 -10.811 -6.936 1.00 0.00 O ATOM 0 H ASP A 101 2.323 -9.251 -4.724 1.00 0.00 H new ATOM 0 HA ASP A 101 1.246 -11.829 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.157 -9.102 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.798 -10.622 -7.902 1.00 0.00 H new ATOM 1636 N LYS A 102 3.870 -9.959 -6.507 1.00 0.00 N ATOM 1637 CA LYS A 102 5.153 -9.869 -7.248 1.00 0.00 C ATOM 1638 C LYS A 102 6.312 -9.391 -6.344 1.00 0.00 C ATOM 1639 O LYS A 102 6.068 -8.879 -5.258 1.00 0.00 O ATOM 1640 CB LYS A 102 4.962 -8.921 -8.461 1.00 0.00 C ATOM 1641 CG LYS A 102 3.965 -9.433 -9.523 1.00 0.00 C ATOM 1642 CD LYS A 102 4.387 -10.800 -10.107 1.00 0.00 C ATOM 1643 CE LYS A 102 3.357 -11.388 -11.083 1.00 0.00 C ATOM 1644 NZ LYS A 102 2.058 -11.667 -10.419 1.00 0.00 N ATOM 0 H LYS A 102 3.658 -9.125 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 102 5.428 -10.864 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.621 -7.952 -8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.930 -8.761 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.974 -9.520 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.888 -8.703 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.342 -10.689 -10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.545 -11.503 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.201 -10.693 -11.908 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.750 -12.309 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.444 -12.200 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 2.221 -12.227 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.598 -10.769 -10.166 1.00 0.00 H new ATOM 1658 N ILE A 103 7.573 -9.549 -6.821 1.00 0.00 N ATOM 1659 CA ILE A 103 8.798 -9.277 -6.010 1.00 0.00 C ATOM 1660 C ILE A 103 10.066 -9.116 -6.906 1.00 0.00 C ATOM 1661 O ILE A 103 10.149 -9.706 -7.992 1.00 0.00 O ATOM 1662 CB ILE A 103 9.018 -10.428 -4.948 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.202 -10.122 -3.966 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.211 -11.789 -5.658 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.375 -11.129 -2.835 1.00 0.00 C ATOM 0 H ILE A 103 7.773 -9.866 -7.770 1.00 0.00 H new ATOM 0 HA ILE A 103 8.644 -8.332 -5.489 1.00 0.00 H new ATOM 0 HB ILE A 103 8.118 -10.481 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 103 11.128 -10.079 -4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.049 -9.134 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.361 -12.570 -4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.326 -12.019 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.082 -11.738 -6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.217 -10.833 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.468 -11.158 -2.231 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.564 -12.118 -3.254 1.00 0.00 H new ATOM 1677 N THR A 104 11.041 -8.290 -6.440 1.00 0.00 N ATOM 1678 CA THR A 104 12.371 -8.118 -7.074 1.00 0.00 C ATOM 1679 C THR A 104 13.497 -8.234 -6.019 1.00 0.00 C ATOM 1680 O THR A 104 13.411 -7.623 -4.942 1.00 0.00 O ATOM 1681 CB THR A 104 12.497 -6.737 -7.809 1.00 0.00 C ATOM 1682 OG1 THR A 104 12.127 -5.664 -6.923 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.638 -6.673 -9.082 1.00 0.00 C ATOM 0 H THR A 104 10.921 -7.719 -5.603 1.00 0.00 H new ATOM 0 HA THR A 104 12.473 -8.913 -7.813 1.00 0.00 H new ATOM 0 HB THR A 104 13.540 -6.629 -8.106 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.924 -5.146 -6.686 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.759 -5.698 -9.554 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.954 -7.453 -9.774 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.590 -6.822 -8.822 1.00 0.00 H new ATOM 1691 N LEU A 105 14.537 -9.036 -6.339 1.00 0.00 N ATOM 1692 CA LEU A 105 15.772 -9.181 -5.522 1.00 0.00 C ATOM 1693 C LEU A 105 16.973 -8.610 -6.298 1.00 0.00 C ATOM 1694 O LEU A 105 17.099 -8.844 -7.512 1.00 0.00 O ATOM 1695 CB LEU A 105 16.054 -10.680 -5.157 1.00 0.00 C ATOM 1696 CG LEU A 105 15.332 -11.263 -3.912 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.757 -10.526 -2.635 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.803 -11.269 -4.088 1.00 0.00 C ATOM 0 H LEU A 105 14.546 -9.610 -7.182 1.00 0.00 H new ATOM 0 HA LEU A 105 15.625 -8.629 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.786 -11.292 -6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 105 17.128 -10.793 -5.007 1.00 0.00 H new ATOM 0 HG LEU A 105 15.639 -12.304 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.237 -10.954 -1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.833 -10.630 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.503 -9.470 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.336 -11.684 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.450 -10.249 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.539 -11.878 -4.953 1.00 0.00 H new ATOM 1710 N GLY A 106 17.858 -7.887 -5.580 1.00 0.00 N ATOM 1711 CA GLY A 106 19.070 -7.304 -6.176 1.00 0.00 C ATOM 1712 C GLY A 106 18.790 -6.164 -7.158 1.00 0.00 C ATOM 1713 O GLY A 106 17.631 -5.788 -7.384 1.00 0.00 O ATOM 0 H GLY A 106 17.752 -7.695 -4.584 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.714 -6.934 -5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.623 -8.089 -6.693 1.00 0.00 H new ATOM 1717 N PHE A 107 19.865 -5.601 -7.743 1.00 0.00 N ATOM 1718 CA PHE A 107 19.760 -4.545 -8.764 1.00 0.00 C ATOM 1719 C PHE A 107 19.590 -5.173 -10.155 1.00 0.00 C ATOM 1720 O PHE A 107 20.570 -5.588 -10.786 1.00 0.00 O ATOM 1721 CB PHE A 107 21.002 -3.601 -8.738 1.00 0.00 C ATOM 1722 CG PHE A 107 20.904 -2.423 -9.720 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.773 -1.596 -9.729 1.00 0.00 C ATOM 1724 CD2 PHE A 107 21.924 -2.149 -10.630 1.00 0.00 C ATOM 1725 CE1 PHE A 107 19.669 -0.542 -10.617 1.00 0.00 C ATOM 1726 CE2 PHE A 107 21.816 -1.092 -11.516 1.00 0.00 C ATOM 1727 CZ PHE A 107 20.690 -0.291 -11.509 1.00 0.00 C ATOM 0 H PHE A 107 20.825 -5.865 -7.521 1.00 0.00 H new ATOM 0 HA PHE A 107 18.882 -3.940 -8.537 1.00 0.00 H new ATOM 0 HB2 PHE A 107 21.130 -3.211 -7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.894 -4.183 -8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 107 18.970 -1.785 -9.032 1.00 0.00 H new ATOM 0 HD2 PHE A 107 22.808 -2.769 -10.643 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.789 0.084 -10.612 1.00 0.00 H new ATOM 0 HE2 PHE A 107 22.614 -0.892 -12.215 1.00 0.00 H new ATOM 0 HZ PHE A 107 20.610 0.533 -12.203 1.00 0.00 H new ATOM 1737 N LYS A 108 18.330 -5.304 -10.594 1.00 0.00 N ATOM 1738 CA LYS A 108 17.993 -5.719 -11.968 1.00 0.00 C ATOM 1739 C LYS A 108 16.878 -4.816 -12.513 1.00 0.00 C ATOM 1740 O LYS A 108 15.713 -4.948 -12.116 1.00 0.00 O ATOM 1741 CB LYS A 108 17.583 -7.219 -12.039 1.00 0.00 C ATOM 1742 CG LYS A 108 18.719 -8.216 -11.700 1.00 0.00 C ATOM 1743 CD LYS A 108 18.313 -9.691 -11.901 1.00 0.00 C ATOM 1744 CE LYS A 108 19.453 -10.670 -11.544 1.00 0.00 C ATOM 1745 NZ LYS A 108 19.064 -12.090 -11.749 1.00 0.00 N ATOM 0 H LYS A 108 17.514 -5.126 -10.008 1.00 0.00 H new ATOM 0 HA LYS A 108 18.882 -5.609 -12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.753 -7.388 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.216 -7.434 -13.043 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.585 -7.996 -12.324 1.00 0.00 H new ATOM 0 HG3 LYS A 108 19.026 -8.068 -10.665 1.00 0.00 H new ATOM 0 HD2 LYS A 108 17.442 -9.912 -11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.017 -9.845 -12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 108 20.327 -10.444 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.743 -10.522 -10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 19.861 -12.708 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 18.246 -12.316 -11.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 18.812 -12.240 -12.747 1.00 0.00 H new ATOM 1759 N GLU A 109 17.259 -3.884 -13.408 1.00 0.00 N ATOM 1760 CA GLU A 109 16.322 -2.971 -14.090 1.00 0.00 C ATOM 1761 C GLU A 109 15.329 -3.757 -14.968 1.00 0.00 C ATOM 1762 O GLU A 109 14.170 -3.340 -15.138 1.00 0.00 O ATOM 1763 CB GLU A 109 17.106 -1.937 -14.937 1.00 0.00 C ATOM 1764 CG GLU A 109 16.224 -0.872 -15.628 1.00 0.00 C ATOM 1765 CD GLU A 109 17.018 0.114 -16.492 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.473 -0.283 -17.588 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.204 1.282 -16.082 1.00 0.00 O ATOM 0 H GLU A 109 18.232 -3.743 -13.680 1.00 0.00 H new ATOM 0 HA GLU A 109 15.747 -2.437 -13.333 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.827 -1.432 -14.294 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.676 -2.468 -15.699 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.484 -1.374 -16.251 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.676 -0.316 -14.867 1.00 0.00 H new ATOM 1774 N ASP A 110 15.794 -4.912 -15.493 1.00 0.00 N ATOM 1775 CA ASP A 110 14.957 -5.840 -16.270 1.00 0.00 C ATOM 1776 C ASP A 110 13.778 -6.312 -15.409 1.00 0.00 C ATOM 1777 O ASP A 110 12.626 -6.217 -15.821 1.00 0.00 O ATOM 1778 CB ASP A 110 15.787 -7.051 -16.765 1.00 0.00 C ATOM 1779 CG ASP A 110 14.952 -8.106 -17.527 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.664 -7.900 -18.732 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.572 -9.143 -16.926 1.00 0.00 O ATOM 0 H ASP A 110 16.760 -5.223 -15.388 1.00 0.00 H new ATOM 0 HA ASP A 110 14.574 -5.318 -17.147 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.584 -6.692 -17.416 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.264 -7.527 -15.909 1.00 0.00 H new ATOM 1786 N GLN A 111 14.097 -6.777 -14.191 1.00 0.00 N ATOM 1787 CA GLN A 111 13.097 -7.178 -13.202 1.00 0.00 C ATOM 1788 C GLN A 111 12.173 -6.007 -12.815 1.00 0.00 C ATOM 1789 O GLN A 111 10.975 -6.194 -12.728 1.00 0.00 O ATOM 1790 CB GLN A 111 13.800 -7.772 -11.959 1.00 0.00 C ATOM 1791 CG GLN A 111 14.361 -9.185 -12.171 1.00 0.00 C ATOM 1792 CD GLN A 111 13.254 -10.231 -12.335 1.00 0.00 C ATOM 1793 OE1 GLN A 111 12.814 -10.535 -13.446 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.763 -10.752 -11.223 1.00 0.00 N ATOM 0 H GLN A 111 15.059 -6.884 -13.868 1.00 0.00 H new ATOM 0 HA GLN A 111 12.462 -7.944 -13.648 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.614 -7.110 -11.665 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.092 -7.794 -11.131 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.998 -9.192 -13.055 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.990 -9.455 -11.323 1.00 0.00 H new ATOM 0 HE21 GLN A 111 13.149 -10.480 -10.319 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.999 -11.426 -11.270 1.00 0.00 H new ATOM 1803 N TYR A 112 12.728 -4.797 -12.626 1.00 0.00 N ATOM 1804 CA TYR A 112 11.941 -3.623 -12.183 1.00 0.00 C ATOM 1805 C TYR A 112 10.834 -3.250 -13.201 1.00 0.00 C ATOM 1806 O TYR A 112 9.702 -2.955 -12.803 1.00 0.00 O ATOM 1807 CB TYR A 112 12.853 -2.401 -11.898 1.00 0.00 C ATOM 1808 CG TYR A 112 13.890 -2.587 -10.771 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.632 -3.400 -9.660 1.00 0.00 C ATOM 1810 CD2 TYR A 112 15.132 -1.943 -10.821 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.567 -3.554 -8.652 1.00 0.00 C ATOM 1812 CE2 TYR A 112 16.066 -2.099 -9.814 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.782 -2.908 -8.738 1.00 0.00 C ATOM 1814 OH TYR A 112 16.716 -3.058 -7.736 1.00 0.00 O ATOM 0 H TYR A 112 13.719 -4.602 -12.772 1.00 0.00 H new ATOM 0 HA TYR A 112 11.453 -3.908 -11.251 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.383 -2.145 -12.815 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.220 -1.550 -11.647 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.686 -3.916 -9.589 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.366 -1.311 -11.665 1.00 0.00 H new ATOM 0 HE1 TYR A 112 14.346 -4.179 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 112 17.015 -1.588 -9.872 1.00 0.00 H new ATOM 0 HH TYR A 112 16.931 -4.008 -7.629 1.00 0.00 H new ATOM 1824 N LYS A 113 11.154 -3.294 -14.513 1.00 0.00 N ATOM 1825 CA LYS A 113 10.154 -3.010 -15.575 1.00 0.00 C ATOM 1826 C LYS A 113 9.210 -4.203 -15.802 1.00 0.00 C ATOM 1827 O LYS A 113 8.044 -4.025 -16.168 1.00 0.00 O ATOM 1828 CB LYS A 113 10.825 -2.509 -16.902 1.00 0.00 C ATOM 1829 CG LYS A 113 11.862 -3.451 -17.588 1.00 0.00 C ATOM 1830 CD LYS A 113 11.234 -4.605 -18.415 1.00 0.00 C ATOM 1831 CE LYS A 113 12.289 -5.516 -19.067 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.686 -6.707 -19.721 1.00 0.00 N ATOM 0 H LYS A 113 12.085 -3.520 -14.863 1.00 0.00 H new ATOM 0 HA LYS A 113 9.535 -2.186 -15.220 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.033 -2.301 -17.621 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.320 -1.561 -16.691 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.497 -2.855 -18.243 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.508 -3.880 -16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.595 -5.204 -17.767 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.595 -4.183 -19.191 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.851 -4.945 -19.806 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.001 -5.843 -18.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.434 -7.270 -20.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.200 -7.286 -19.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.001 -6.399 -20.441 1.00 0.00 H new ATOM 1846 N GLU A 114 9.735 -5.413 -15.576 1.00 0.00 N ATOM 1847 CA GLU A 114 9.003 -6.672 -15.791 1.00 0.00 C ATOM 1848 C GLU A 114 7.921 -6.868 -14.708 1.00 0.00 C ATOM 1849 O GLU A 114 6.825 -7.373 -14.979 1.00 0.00 O ATOM 1850 CB GLU A 114 10.009 -7.861 -15.763 1.00 0.00 C ATOM 1851 CG GLU A 114 9.497 -9.180 -16.365 1.00 0.00 C ATOM 1852 CD GLU A 114 9.138 -9.046 -17.855 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.066 -8.926 -18.688 1.00 0.00 O ATOM 1854 OE2 GLU A 114 7.935 -9.037 -18.198 1.00 0.00 O ATOM 0 H GLU A 114 10.687 -5.550 -15.236 1.00 0.00 H new ATOM 0 HA GLU A 114 8.508 -6.633 -16.761 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.910 -7.564 -16.299 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.299 -8.043 -14.728 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.259 -9.950 -16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.619 -9.512 -15.811 1.00 0.00 H new ATOM 1861 N THR A 115 8.259 -6.434 -13.492 1.00 0.00 N ATOM 1862 CA THR A 115 7.497 -6.716 -12.271 1.00 0.00 C ATOM 1863 C THR A 115 6.614 -5.516 -11.861 1.00 0.00 C ATOM 1864 O THR A 115 5.401 -5.665 -11.673 1.00 0.00 O ATOM 1865 CB THR A 115 8.509 -7.082 -11.134 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.346 -8.166 -11.578 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.848 -7.487 -9.826 1.00 0.00 C ATOM 0 H THR A 115 9.088 -5.864 -13.324 1.00 0.00 H new ATOM 0 HA THR A 115 6.821 -7.552 -12.452 1.00 0.00 H new ATOM 0 HB THR A 115 9.084 -6.178 -10.933 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.117 -7.806 -12.065 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.615 -7.725 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.235 -6.664 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.220 -8.362 -9.992 1.00 0.00 H new ATOM 1875 N TRP A 116 7.235 -4.323 -11.735 1.00 0.00 N ATOM 1876 CA TRP A 116 6.563 -3.125 -11.176 1.00 0.00 C ATOM 1877 C TRP A 116 5.976 -2.250 -12.287 1.00 0.00 C ATOM 1878 O TRP A 116 4.800 -1.888 -12.247 1.00 0.00 O ATOM 1879 CB TRP A 116 7.554 -2.294 -10.318 1.00 0.00 C ATOM 1880 CG TRP A 116 8.315 -3.105 -9.285 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.670 -3.147 -9.112 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.763 -4.013 -8.313 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.988 -3.999 -8.091 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.841 -4.549 -7.595 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.466 -4.431 -7.981 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.667 -5.463 -6.574 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.298 -5.343 -6.960 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.395 -5.858 -6.271 1.00 0.00 C ATOM 0 H TRP A 116 8.203 -4.162 -12.013 1.00 0.00 H new ATOM 0 HA TRP A 116 5.746 -3.470 -10.542 1.00 0.00 H new ATOM 0 HB2 TRP A 116 8.270 -1.807 -10.980 1.00 0.00 H new ATOM 0 HB3 TRP A 116 7.002 -1.504 -9.809 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.386 -2.588 -9.697 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.931 -4.193 -7.754 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.612 -4.045 -8.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.514 -5.855 -6.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.302 -5.663 -6.690 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.237 -6.581 -5.485 1.00 0.00 H new ATOM 1899 N LEU A 117 6.808 -1.915 -13.283 1.00 0.00 N ATOM 1900 CA LEU A 117 6.421 -0.962 -14.345 1.00 0.00 C ATOM 1901 C LEU A 117 5.540 -1.652 -15.406 1.00 0.00 C ATOM 1902 O LEU A 117 5.298 -2.858 -15.326 1.00 0.00 O ATOM 1903 CB LEU A 117 7.673 -0.329 -15.007 1.00 0.00 C ATOM 1904 CG LEU A 117 8.824 0.121 -14.053 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.930 0.832 -14.840 1.00 0.00 C ATOM 1906 CD2 LEU A 117 8.320 0.993 -12.891 1.00 0.00 C ATOM 0 H LEU A 117 7.753 -2.287 -13.380 1.00 0.00 H new ATOM 0 HA LEU A 117 5.840 -0.164 -13.882 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.082 -1.048 -15.717 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.351 0.539 -15.583 1.00 0.00 H new ATOM 0 HG LEU A 117 9.241 -0.781 -13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.723 1.138 -14.158 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.338 0.153 -15.589 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.517 1.712 -15.334 1.00 0.00 H new ATOM 0 HD21 LEU A 117 9.161 1.278 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.845 1.890 -13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.597 0.430 -12.301 1.00 0.00 H new ATOM 1918 N ALA A 118 5.088 -0.866 -16.399 1.00 0.00 N ATOM 1919 CA ALA A 118 4.205 -1.332 -17.485 1.00 0.00 C ATOM 1920 C ALA A 118 4.041 -0.197 -18.526 1.00 0.00 C ATOM 1921 O ALA A 118 3.443 0.851 -18.182 1.00 0.00 O ATOM 1922 CB ALA A 118 2.831 -1.802 -16.942 1.00 0.00 C ATOM 1923 OXT ALA A 118 4.531 -0.343 -19.671 1.00 0.00 O ATOM 0 H ALA A 118 5.328 0.123 -16.472 1.00 0.00 H new ATOM 0 HA ALA A 118 4.662 -2.197 -17.966 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.208 -2.138 -17.771 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.978 -2.625 -16.242 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.339 -0.974 -16.431 1.00 0.00 H new TER 1929 ALA A 118