USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 10 ASN : amide:sc= 0 X(o=1.3,f=0.79) USER MOD Set 2.2: A 12 LYS NZ :NH3+ -148:sc= 1.27 (180deg=0.517) USER MOD Single : A 4 TYR OH : rot -176:sc= 0.502 USER MOD Single : A 9 SER OG : rot -120:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= 0.577 (180deg=0.17) USER MOD Single : A 21 MET CE :methyl -164:sc= -0.122 (180deg=-0.508) USER MOD Single : A 24 LYS NZ :NH3+ -177:sc= 0.241 (180deg=0.239) USER MOD Single : A 26 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.1) USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.505 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= 1.01 (180deg=0.0446) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -171:sc= 0.261 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -33:sc= 0.162 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.045 K(o=-0.045,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.5!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -2.07! (180deg=-2.88!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 145:sc= 0.396 (180deg=0.0318) USER MOD Single : A 74 MET CE :methyl -167:sc= -0.686 (180deg=-0.79) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 1.1 (180deg=1.06) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= -0.0363 (180deg=-0.27) USER MOD Single : A 97 SER OG : rot -83:sc= 0.494 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.174 -1.312 10.143 1.00 23.23 N ATOM 21 CA LEU A 2 -9.751 -2.105 8.980 1.00 10.42 C ATOM 22 C LEU A 2 -8.553 -1.405 8.303 1.00 0.02 C ATOM 23 O LEU A 2 -8.713 -0.357 7.683 1.00 14.24 O ATOM 24 CB LEU A 2 -10.950 -2.268 8.004 1.00 3.44 C ATOM 25 CG LEU A 2 -12.270 -2.814 8.647 1.00 71.02 C ATOM 26 CD1 LEU A 2 -13.433 -2.809 7.643 1.00 12.03 C ATOM 27 CD2 LEU A 2 -12.060 -4.214 9.262 1.00 14.01 C ATOM 0 HA LEU A 2 -9.433 -3.101 9.289 1.00 10.42 H new ATOM 0 HB2 LEU A 2 -11.161 -1.300 7.549 1.00 3.44 H new ATOM 0 HB3 LEU A 2 -10.653 -2.940 7.199 1.00 3.44 H new ATOM 0 HG LEU A 2 -12.540 -2.137 9.458 1.00 71.02 H new ATOM 0 HD11 LEU A 2 -14.331 -3.194 8.125 1.00 12.03 H new ATOM 0 HD12 LEU A 2 -13.614 -1.790 7.300 1.00 12.03 H new ATOM 0 HD13 LEU A 2 -13.180 -3.439 6.790 1.00 12.03 H new ATOM 0 HD21 LEU A 2 -12.995 -4.563 9.699 1.00 14.01 H new ATOM 0 HD22 LEU A 2 -11.741 -4.909 8.485 1.00 14.01 H new ATOM 0 HD23 LEU A 2 -11.295 -4.160 10.037 1.00 14.01 H new ATOM 39 N LEU A 3 -7.342 -1.956 8.492 1.00 51.41 N ATOM 40 CA LEU A 3 -6.099 -1.382 7.937 1.00 43.54 C ATOM 41 C LEU A 3 -5.465 -2.364 6.932 1.00 61.01 C ATOM 42 O LEU A 3 -5.220 -3.529 7.262 1.00 23.34 O ATOM 43 CB LEU A 3 -5.097 -1.066 9.081 1.00 30.21 C ATOM 44 CG LEU A 3 -5.578 -0.092 10.205 1.00 71.42 C ATOM 45 CD1 LEU A 3 -4.518 0.035 11.319 1.00 20.25 C ATOM 46 CD2 LEU A 3 -5.953 1.288 9.638 1.00 43.44 C ATOM 0 H LEU A 3 -7.195 -2.809 9.032 1.00 51.41 H new ATOM 0 HA LEU A 3 -6.342 -0.455 7.418 1.00 43.54 H new ATOM 0 HB2 LEU A 3 -4.812 -2.008 9.550 1.00 30.21 H new ATOM 0 HB3 LEU A 3 -4.196 -0.647 8.634 1.00 30.21 H new ATOM 0 HG LEU A 3 -6.479 -0.520 10.644 1.00 71.42 H new ATOM 0 HD11 LEU A 3 -4.878 0.718 12.088 1.00 20.25 H new ATOM 0 HD12 LEU A 3 -4.335 -0.945 11.761 1.00 20.25 H new ATOM 0 HD13 LEU A 3 -3.590 0.421 10.896 1.00 20.25 H new ATOM 0 HD21 LEU A 3 -6.282 1.937 10.449 1.00 43.44 H new ATOM 0 HD22 LEU A 3 -5.084 1.729 9.150 1.00 43.44 H new ATOM 0 HD23 LEU A 3 -6.759 1.177 8.912 1.00 43.44 H new ATOM 58 N TYR A 4 -5.215 -1.879 5.708 1.00 22.13 N ATOM 59 CA TYR A 4 -4.589 -2.659 4.628 1.00 62.34 C ATOM 60 C TYR A 4 -3.424 -1.873 4.022 1.00 41.12 C ATOM 61 O TYR A 4 -3.380 -0.646 4.094 1.00 55.34 O ATOM 62 CB TYR A 4 -5.627 -3.018 3.530 1.00 15.32 C ATOM 63 CG TYR A 4 -6.707 -3.997 4.008 1.00 43.01 C ATOM 64 CD1 TYR A 4 -6.475 -5.371 4.001 1.00 22.31 C ATOM 65 CD2 TYR A 4 -7.942 -3.545 4.482 1.00 71.13 C ATOM 66 CE1 TYR A 4 -7.428 -6.259 4.445 1.00 33.41 C ATOM 67 CE2 TYR A 4 -8.900 -4.434 4.928 1.00 3.11 C ATOM 68 CZ TYR A 4 -8.639 -5.789 4.904 1.00 30.13 C ATOM 69 OH TYR A 4 -9.592 -6.680 5.349 1.00 53.24 O ATOM 0 H TYR A 4 -5.444 -0.923 5.435 1.00 22.13 H new ATOM 0 HA TYR A 4 -4.208 -3.589 5.051 1.00 62.34 H new ATOM 0 HB2 TYR A 4 -6.106 -2.103 3.180 1.00 15.32 H new ATOM 0 HB3 TYR A 4 -5.106 -3.452 2.676 1.00 15.32 H new ATOM 0 HD1 TYR A 4 -5.529 -5.746 3.640 1.00 22.31 H new ATOM 0 HD2 TYR A 4 -8.150 -2.485 4.500 1.00 71.13 H new ATOM 0 HE1 TYR A 4 -7.227 -7.320 4.434 1.00 33.41 H new ATOM 0 HE2 TYR A 4 -9.849 -4.071 5.294 1.00 3.11 H new ATOM 0 HH TYR A 4 -10.411 -6.194 5.580 1.00 53.24 H new ATOM 79 N VAL A 5 -2.469 -2.615 3.458 1.00 23.21 N ATOM 80 CA VAL A 5 -1.289 -2.070 2.780 1.00 24.32 C ATOM 81 C VAL A 5 -1.173 -2.711 1.382 1.00 14.00 C ATOM 82 O VAL A 5 -1.295 -3.928 1.251 1.00 4.44 O ATOM 83 CB VAL A 5 0.019 -2.350 3.622 1.00 61.43 C ATOM 84 CG1 VAL A 5 1.281 -1.862 2.889 1.00 21.21 C ATOM 85 CG2 VAL A 5 -0.066 -1.715 5.033 1.00 12.44 C ATOM 0 H VAL A 5 -2.494 -3.635 3.459 1.00 23.21 H new ATOM 0 HA VAL A 5 -1.399 -0.990 2.681 1.00 24.32 H new ATOM 0 HB VAL A 5 0.094 -3.431 3.740 1.00 61.43 H new ATOM 0 HG11 VAL A 5 2.160 -2.072 3.499 1.00 21.21 H new ATOM 0 HG12 VAL A 5 1.370 -2.380 1.934 1.00 21.21 H new ATOM 0 HG13 VAL A 5 1.208 -0.789 2.714 1.00 21.21 H new ATOM 0 HG21 VAL A 5 0.850 -1.928 5.584 1.00 12.44 H new ATOM 0 HG22 VAL A 5 -0.191 -0.636 4.940 1.00 12.44 H new ATOM 0 HG23 VAL A 5 -0.917 -2.134 5.570 1.00 12.44 H new ATOM 95 N LEU A 6 -0.989 -1.881 0.340 1.00 65.13 N ATOM 96 CA LEU A 6 -0.716 -2.337 -1.038 1.00 13.41 C ATOM 97 C LEU A 6 0.668 -1.810 -1.450 1.00 13.20 C ATOM 98 O LEU A 6 0.888 -0.609 -1.438 1.00 72.51 O ATOM 99 CB LEU A 6 -1.808 -1.802 -2.016 1.00 13.55 C ATOM 100 CG LEU A 6 -3.293 -2.124 -1.649 1.00 4.01 C ATOM 101 CD1 LEU A 6 -4.272 -1.595 -2.718 1.00 20.02 C ATOM 102 CD2 LEU A 6 -3.503 -3.625 -1.390 1.00 12.22 C ATOM 0 H LEU A 6 -1.026 -0.866 0.430 1.00 65.13 H new ATOM 0 HA LEU A 6 -0.733 -3.426 -1.080 1.00 13.41 H new ATOM 0 HB2 LEU A 6 -1.701 -0.720 -2.087 1.00 13.55 H new ATOM 0 HB3 LEU A 6 -1.606 -2.208 -3.007 1.00 13.55 H new ATOM 0 HG LEU A 6 -3.512 -1.600 -0.719 1.00 4.01 H new ATOM 0 HD11 LEU A 6 -5.294 -1.838 -2.427 1.00 20.02 H new ATOM 0 HD12 LEU A 6 -4.167 -0.514 -2.804 1.00 20.02 H new ATOM 0 HD13 LEU A 6 -4.048 -2.059 -3.678 1.00 20.02 H new ATOM 0 HD21 LEU A 6 -4.548 -3.808 -1.138 1.00 12.22 H new ATOM 0 HD22 LEU A 6 -3.242 -4.189 -2.285 1.00 12.22 H new ATOM 0 HD23 LEU A 6 -2.869 -3.944 -0.563 1.00 12.22 H new ATOM 114 N ILE A 7 1.611 -2.692 -1.792 1.00 14.43 N ATOM 115 CA ILE A 7 2.979 -2.265 -2.158 1.00 51.15 C ATOM 116 C ILE A 7 3.214 -2.443 -3.672 1.00 10.31 C ATOM 117 O ILE A 7 2.958 -3.506 -4.228 1.00 20.12 O ATOM 118 CB ILE A 7 4.067 -3.042 -1.326 1.00 71.20 C ATOM 119 CG1 ILE A 7 5.502 -2.505 -1.635 1.00 20.13 C ATOM 120 CG2 ILE A 7 3.977 -4.567 -1.551 1.00 21.14 C ATOM 121 CD1 ILE A 7 6.612 -3.168 -0.836 1.00 12.24 C ATOM 0 H ILE A 7 1.462 -3.700 -1.825 1.00 14.43 H new ATOM 0 HA ILE A 7 3.075 -1.207 -1.915 1.00 51.15 H new ATOM 0 HB ILE A 7 3.863 -2.860 -0.271 1.00 71.20 H new ATOM 0 HG12 ILE A 7 5.706 -2.641 -2.697 1.00 20.13 H new ATOM 0 HG13 ILE A 7 5.524 -1.433 -1.441 1.00 20.13 H new ATOM 0 HG21 ILE A 7 4.744 -5.068 -0.960 1.00 21.14 H new ATOM 0 HG22 ILE A 7 2.993 -4.923 -1.245 1.00 21.14 H new ATOM 0 HG23 ILE A 7 4.130 -4.789 -2.607 1.00 21.14 H new ATOM 0 HD11 ILE A 7 7.571 -2.733 -1.116 1.00 12.24 H new ATOM 0 HD12 ILE A 7 6.438 -3.010 0.228 1.00 12.24 H new ATOM 0 HD13 ILE A 7 6.623 -4.237 -1.047 1.00 12.24 H new ATOM 133 N ILE A 8 3.643 -1.366 -4.341 1.00 12.13 N ATOM 134 CA ILE A 8 4.102 -1.410 -5.733 1.00 54.42 C ATOM 135 C ILE A 8 5.631 -1.209 -5.738 1.00 31.13 C ATOM 136 O ILE A 8 6.114 -0.088 -5.560 1.00 32.42 O ATOM 137 CB ILE A 8 3.395 -0.291 -6.592 1.00 33.15 C ATOM 138 CG1 ILE A 8 1.842 -0.334 -6.390 1.00 73.50 C ATOM 139 CG2 ILE A 8 3.765 -0.432 -8.088 1.00 33.43 C ATOM 140 CD1 ILE A 8 1.058 0.776 -7.071 1.00 5.25 C ATOM 0 H ILE A 8 3.681 -0.434 -3.928 1.00 12.13 H new ATOM 0 HA ILE A 8 3.847 -2.372 -6.177 1.00 54.42 H new ATOM 0 HB ILE A 8 3.752 0.680 -6.248 1.00 33.15 H new ATOM 0 HG12 ILE A 8 1.473 -1.292 -6.756 1.00 73.50 H new ATOM 0 HG13 ILE A 8 1.632 -0.299 -5.321 1.00 73.50 H new ATOM 0 HG21 ILE A 8 3.266 0.350 -8.661 1.00 33.43 H new ATOM 0 HG22 ILE A 8 4.844 -0.337 -8.206 1.00 33.43 H new ATOM 0 HG23 ILE A 8 3.445 -1.409 -8.451 1.00 33.43 H new ATOM 0 HD11 ILE A 8 -0.005 0.649 -6.866 1.00 5.25 H new ATOM 0 HD12 ILE A 8 1.389 1.742 -6.690 1.00 5.25 H new ATOM 0 HD13 ILE A 8 1.227 0.734 -8.147 1.00 5.25 H new ATOM 152 N SER A 9 6.375 -2.308 -5.913 1.00 23.53 N ATOM 153 CA SER A 9 7.848 -2.304 -5.956 1.00 0.42 C ATOM 154 C SER A 9 8.333 -3.576 -6.669 1.00 35.11 C ATOM 155 O SER A 9 7.673 -4.618 -6.607 1.00 71.14 O ATOM 156 CB SER A 9 8.436 -2.231 -4.519 1.00 12.50 C ATOM 157 OG SER A 9 9.859 -2.200 -4.523 1.00 21.13 O ATOM 0 H SER A 9 5.970 -3.237 -6.030 1.00 23.53 H new ATOM 0 HA SER A 9 8.190 -1.426 -6.504 1.00 0.42 H new ATOM 0 HB2 SER A 9 8.056 -1.341 -4.017 1.00 12.50 H new ATOM 0 HB3 SER A 9 8.094 -3.092 -3.944 1.00 12.50 H new ATOM 0 HG SER A 9 10.204 -2.972 -4.028 1.00 21.13 H new ATOM 163 N ASN A 10 9.477 -3.479 -7.361 1.00 31.14 N ATOM 164 CA ASN A 10 10.109 -4.639 -8.018 1.00 12.21 C ATOM 165 C ASN A 10 11.193 -5.239 -7.108 1.00 72.21 C ATOM 166 O ASN A 10 11.415 -6.460 -7.124 1.00 1.02 O ATOM 167 CB ASN A 10 10.732 -4.243 -9.379 1.00 61.11 C ATOM 168 CG ASN A 10 11.334 -5.436 -10.146 1.00 4.32 C ATOM 169 OD1 ASN A 10 10.801 -6.552 -10.127 1.00 44.33 O ATOM 170 ND2 ASN A 10 12.471 -5.226 -10.783 1.00 21.03 N ATOM 0 H ASN A 10 9.988 -2.605 -7.482 1.00 31.14 H new ATOM 0 HA ASN A 10 9.333 -5.383 -8.199 1.00 12.21 H new ATOM 0 HB2 ASN A 10 9.968 -3.772 -9.997 1.00 61.11 H new ATOM 0 HB3 ASN A 10 11.510 -3.498 -9.211 1.00 61.11 H new ATOM 0 HD21 ASN A 10 12.930 -5.993 -11.274 1.00 21.03 H new ATOM 0 HD22 ASN A 10 12.891 -4.296 -10.784 1.00 21.03 H new ATOM 177 N ASP A 11 11.862 -4.371 -6.312 1.00 44.15 N ATOM 178 CA ASP A 11 12.973 -4.787 -5.438 1.00 1.10 C ATOM 179 C ASP A 11 12.454 -5.750 -4.363 1.00 41.11 C ATOM 180 O ASP A 11 11.711 -5.351 -3.465 1.00 50.12 O ATOM 181 CB ASP A 11 13.687 -3.564 -4.797 1.00 32.23 C ATOM 182 CG ASP A 11 14.959 -3.963 -4.021 1.00 13.15 C ATOM 183 OD1 ASP A 11 15.987 -4.251 -4.668 1.00 74.12 O ATOM 184 OD2 ASP A 11 14.937 -4.016 -2.777 1.00 0.10 O ATOM 0 H ASP A 11 11.646 -3.375 -6.261 1.00 44.15 H new ATOM 0 HA ASP A 11 13.715 -5.304 -6.047 1.00 1.10 H new ATOM 0 HB2 ASP A 11 13.950 -2.851 -5.578 1.00 32.23 H new ATOM 0 HB3 ASP A 11 12.997 -3.057 -4.122 1.00 32.23 H new ATOM 189 N LYS A 12 12.835 -7.028 -4.511 1.00 62.14 N ATOM 190 CA LYS A 12 12.338 -8.140 -3.686 1.00 71.12 C ATOM 191 C LYS A 12 12.728 -7.991 -2.201 1.00 43.25 C ATOM 192 O LYS A 12 12.020 -8.496 -1.330 1.00 20.33 O ATOM 193 CB LYS A 12 12.837 -9.497 -4.258 1.00 23.01 C ATOM 194 CG LYS A 12 12.440 -9.758 -5.732 1.00 33.34 C ATOM 195 CD LYS A 12 10.909 -9.752 -5.964 1.00 3.14 C ATOM 196 CE LYS A 12 10.537 -10.003 -7.440 1.00 75.20 C ATOM 197 NZ LYS A 12 11.094 -8.962 -8.357 1.00 74.35 N ATOM 0 H LYS A 12 13.508 -7.323 -5.219 1.00 62.14 H new ATOM 0 HA LYS A 12 11.249 -8.116 -3.727 1.00 71.12 H new ATOM 0 HB2 LYS A 12 13.923 -9.534 -4.176 1.00 23.01 H new ATOM 0 HB3 LYS A 12 12.443 -10.304 -3.640 1.00 23.01 H new ATOM 0 HG2 LYS A 12 12.899 -8.999 -6.365 1.00 33.34 H new ATOM 0 HG3 LYS A 12 12.844 -10.721 -6.045 1.00 33.34 H new ATOM 0 HD2 LYS A 12 10.447 -10.517 -5.340 1.00 3.14 H new ATOM 0 HD3 LYS A 12 10.500 -8.793 -5.647 1.00 3.14 H new ATOM 0 HE2 LYS A 12 10.906 -10.983 -7.742 1.00 75.20 H new ATOM 0 HE3 LYS A 12 9.452 -10.026 -7.539 1.00 75.20 H new ATOM 0 HZ1 LYS A 12 10.447 -8.823 -9.159 1.00 74.35 H new ATOM 0 HZ2 LYS A 12 11.202 -8.066 -7.840 1.00 74.35 H new ATOM 0 HZ3 LYS A 12 12.022 -9.271 -8.711 1.00 74.35 H new ATOM 211 N LYS A 13 13.849 -7.293 -1.921 1.00 2.45 N ATOM 212 CA LYS A 13 14.301 -7.023 -0.544 1.00 3.32 C ATOM 213 C LYS A 13 13.393 -5.969 0.107 1.00 21.03 C ATOM 214 O LYS A 13 13.047 -6.086 1.280 1.00 21.51 O ATOM 215 CB LYS A 13 15.779 -6.563 -0.529 1.00 11.22 C ATOM 216 CG LYS A 13 16.795 -7.658 -0.927 1.00 61.11 C ATOM 217 CD LYS A 13 18.264 -7.172 -0.865 1.00 52.51 C ATOM 218 CE LYS A 13 18.709 -6.785 0.558 1.00 13.05 C ATOM 219 NZ LYS A 13 20.127 -6.332 0.599 1.00 64.23 N ATOM 0 H LYS A 13 14.461 -6.904 -2.639 1.00 2.45 H new ATOM 0 HA LYS A 13 14.235 -7.945 0.033 1.00 3.32 H new ATOM 0 HB2 LYS A 13 15.890 -5.718 -1.208 1.00 11.22 H new ATOM 0 HB3 LYS A 13 16.024 -6.203 0.470 1.00 11.22 H new ATOM 0 HG2 LYS A 13 16.674 -8.516 -0.266 1.00 61.11 H new ATOM 0 HG3 LYS A 13 16.574 -8.001 -1.938 1.00 61.11 H new ATOM 0 HD2 LYS A 13 18.918 -7.958 -1.243 1.00 52.51 H new ATOM 0 HD3 LYS A 13 18.385 -6.312 -1.524 1.00 52.51 H new ATOM 0 HE2 LYS A 13 18.064 -5.991 0.935 1.00 13.05 H new ATOM 0 HE3 LYS A 13 18.583 -7.640 1.222 1.00 13.05 H new ATOM 0 HZ1 LYS A 13 20.383 -6.082 1.575 1.00 64.23 H new ATOM 0 HZ2 LYS A 13 20.746 -7.098 0.264 1.00 64.23 H new ATOM 0 HZ3 LYS A 13 20.243 -5.500 -0.014 1.00 64.23 H new ATOM 233 N LEU A 14 13.005 -4.950 -0.689 1.00 44.15 N ATOM 234 CA LEU A 14 12.081 -3.879 -0.263 1.00 25.22 C ATOM 235 C LEU A 14 10.696 -4.478 0.053 1.00 60.23 C ATOM 236 O LEU A 14 10.086 -4.139 1.071 1.00 33.32 O ATOM 237 CB LEU A 14 12.010 -2.779 -1.377 1.00 54.22 C ATOM 238 CG LEU A 14 11.387 -1.378 -1.005 1.00 21.22 C ATOM 239 CD1 LEU A 14 11.853 -0.283 -1.990 1.00 1.12 C ATOM 240 CD2 LEU A 14 9.845 -1.397 -0.946 1.00 44.53 C ATOM 0 H LEU A 14 13.327 -4.847 -1.652 1.00 44.15 H new ATOM 0 HA LEU A 14 12.446 -3.406 0.649 1.00 25.22 H new ATOM 0 HB2 LEU A 14 13.023 -2.607 -1.739 1.00 54.22 H new ATOM 0 HB3 LEU A 14 11.438 -3.186 -2.211 1.00 54.22 H new ATOM 0 HG LEU A 14 11.750 -1.148 -0.003 1.00 21.22 H new ATOM 0 HD11 LEU A 14 11.408 0.672 -1.710 1.00 1.12 H new ATOM 0 HD12 LEU A 14 12.939 -0.201 -1.956 1.00 1.12 H new ATOM 0 HD13 LEU A 14 11.541 -0.546 -3.001 1.00 1.12 H new ATOM 0 HD21 LEU A 14 9.479 -0.404 -0.685 1.00 44.53 H new ATOM 0 HD22 LEU A 14 9.447 -1.687 -1.919 1.00 44.53 H new ATOM 0 HD23 LEU A 14 9.519 -2.114 -0.192 1.00 44.53 H new ATOM 252 N ILE A 15 10.243 -5.392 -0.835 1.00 2.22 N ATOM 253 CA ILE A 15 8.967 -6.116 -0.700 1.00 51.41 C ATOM 254 C ILE A 15 8.963 -6.960 0.589 1.00 51.24 C ATOM 255 O ILE A 15 8.026 -6.879 1.374 1.00 63.22 O ATOM 256 CB ILE A 15 8.710 -7.038 -1.956 1.00 51.03 C ATOM 257 CG1 ILE A 15 8.578 -6.179 -3.261 1.00 64.33 C ATOM 258 CG2 ILE A 15 7.474 -7.954 -1.756 1.00 25.15 C ATOM 259 CD1 ILE A 15 8.493 -6.986 -4.552 1.00 55.13 C ATOM 0 H ILE A 15 10.763 -5.648 -1.674 1.00 2.22 H new ATOM 0 HA ILE A 15 8.163 -5.382 -0.642 1.00 51.41 H new ATOM 0 HB ILE A 15 9.576 -7.691 -2.067 1.00 51.03 H new ATOM 0 HG12 ILE A 15 7.688 -5.555 -3.180 1.00 64.33 H new ATOM 0 HG13 ILE A 15 9.434 -5.507 -3.325 1.00 64.33 H new ATOM 0 HG21 ILE A 15 7.332 -8.572 -2.643 1.00 25.15 H new ATOM 0 HG22 ILE A 15 7.633 -8.595 -0.889 1.00 25.15 H new ATOM 0 HG23 ILE A 15 6.588 -7.340 -1.596 1.00 25.15 H new ATOM 0 HD11 ILE A 15 8.404 -6.307 -5.400 1.00 55.13 H new ATOM 0 HD12 ILE A 15 9.394 -7.590 -4.664 1.00 55.13 H new ATOM 0 HD13 ILE A 15 7.621 -7.639 -4.516 1.00 55.13 H new ATOM 271 N GLU A 16 10.040 -7.745 0.775 1.00 13.54 N ATOM 272 CA GLU A 16 10.209 -8.640 1.933 1.00 35.24 C ATOM 273 C GLU A 16 10.165 -7.873 3.268 1.00 1.44 C ATOM 274 O GLU A 16 9.380 -8.221 4.153 1.00 22.21 O ATOM 275 CB GLU A 16 11.533 -9.449 1.804 1.00 54.44 C ATOM 276 CG GLU A 16 11.407 -10.747 0.984 1.00 50.13 C ATOM 277 CD GLU A 16 10.591 -11.829 1.713 1.00 65.10 C ATOM 278 OE1 GLU A 16 11.146 -12.461 2.640 1.00 34.54 O ATOM 279 OE2 GLU A 16 9.406 -12.054 1.375 1.00 30.20 O ATOM 0 H GLU A 16 10.822 -7.776 0.121 1.00 13.54 H new ATOM 0 HA GLU A 16 9.370 -9.335 1.936 1.00 35.24 H new ATOM 0 HB2 GLU A 16 12.289 -8.814 1.343 1.00 54.44 H new ATOM 0 HB3 GLU A 16 11.892 -9.698 2.803 1.00 54.44 H new ATOM 0 HG2 GLU A 16 10.935 -10.524 0.027 1.00 50.13 H new ATOM 0 HG3 GLU A 16 12.403 -11.133 0.766 1.00 50.13 H new ATOM 286 N GLU A 17 10.995 -6.824 3.383 1.00 52.41 N ATOM 287 CA GLU A 17 11.128 -6.040 4.626 1.00 14.13 C ATOM 288 C GLU A 17 9.807 -5.338 4.998 1.00 71.21 C ATOM 289 O GLU A 17 9.395 -5.372 6.162 1.00 44.31 O ATOM 290 CB GLU A 17 12.275 -5.014 4.497 1.00 25.23 C ATOM 291 CG GLU A 17 13.680 -5.627 4.408 1.00 30.23 C ATOM 292 CD GLU A 17 14.798 -4.571 4.355 1.00 21.44 C ATOM 293 OE1 GLU A 17 14.902 -3.770 5.315 1.00 22.53 O ATOM 294 OE2 GLU A 17 15.566 -4.529 3.368 1.00 53.53 O ATOM 0 H GLU A 17 11.590 -6.495 2.623 1.00 52.41 H new ATOM 0 HA GLU A 17 11.369 -6.733 5.432 1.00 14.13 H new ATOM 0 HB2 GLU A 17 12.102 -4.406 3.609 1.00 25.23 H new ATOM 0 HB3 GLU A 17 12.241 -4.342 5.354 1.00 25.23 H new ATOM 0 HG2 GLU A 17 13.842 -6.276 5.269 1.00 30.23 H new ATOM 0 HG3 GLU A 17 13.740 -6.256 3.519 1.00 30.23 H new ATOM 301 N ALA A 18 9.153 -4.728 3.990 1.00 23.20 N ATOM 302 CA ALA A 18 7.868 -4.026 4.172 1.00 60.33 C ATOM 303 C ALA A 18 6.743 -5.011 4.561 1.00 14.13 C ATOM 304 O ALA A 18 5.955 -4.725 5.463 1.00 12.51 O ATOM 305 CB ALA A 18 7.499 -3.254 2.895 1.00 20.35 C ATOM 0 H ALA A 18 9.499 -4.708 3.031 1.00 23.20 H new ATOM 0 HA ALA A 18 7.981 -3.314 4.990 1.00 60.33 H new ATOM 0 HB1 ALA A 18 6.549 -2.740 3.042 1.00 20.35 H new ATOM 0 HB2 ALA A 18 8.277 -2.523 2.674 1.00 20.35 H new ATOM 0 HB3 ALA A 18 7.409 -3.951 2.062 1.00 20.35 H new ATOM 311 N ARG A 19 6.696 -6.164 3.857 1.00 20.12 N ATOM 312 CA ARG A 19 5.705 -7.243 4.090 1.00 14.25 C ATOM 313 C ARG A 19 5.769 -7.760 5.524 1.00 63.01 C ATOM 314 O ARG A 19 4.759 -7.781 6.228 1.00 21.22 O ATOM 315 CB ARG A 19 5.934 -8.416 3.101 1.00 65.52 C ATOM 316 CG ARG A 19 5.002 -9.633 3.318 1.00 5.04 C ATOM 317 CD ARG A 19 5.205 -10.734 2.274 1.00 14.21 C ATOM 318 NE ARG A 19 4.805 -10.302 0.921 1.00 64.21 N ATOM 319 CZ ARG A 19 4.932 -11.042 -0.192 1.00 12.40 C ATOM 320 NH1 ARG A 19 5.456 -12.264 -0.154 1.00 4.32 N ATOM 321 NH2 ARG A 19 4.504 -10.561 -1.342 1.00 74.21 N ATOM 0 H ARG A 19 7.350 -6.375 3.104 1.00 20.12 H new ATOM 0 HA ARG A 19 4.715 -6.819 3.922 1.00 14.25 H new ATOM 0 HB2 ARG A 19 5.799 -8.048 2.084 1.00 65.52 H new ATOM 0 HB3 ARG A 19 6.969 -8.748 3.185 1.00 65.52 H new ATOM 0 HG2 ARG A 19 5.177 -10.045 4.312 1.00 5.04 H new ATOM 0 HG3 ARG A 19 3.965 -9.299 3.289 1.00 5.04 H new ATOM 0 HD2 ARG A 19 6.253 -11.032 2.263 1.00 14.21 H new ATOM 0 HD3 ARG A 19 4.626 -11.613 2.559 1.00 14.21 H new ATOM 0 HE ARG A 19 4.401 -9.370 0.824 1.00 64.21 H new ATOM 0 HH11 ARG A 19 5.771 -12.657 0.733 1.00 4.32 H new ATOM 0 HH12 ARG A 19 5.543 -12.809 -1.012 1.00 4.32 H new ATOM 0 HH21 ARG A 19 4.081 -9.634 -1.381 1.00 74.21 H new ATOM 0 HH22 ARG A 19 4.596 -11.116 -2.193 1.00 74.21 H new ATOM 335 N LYS A 20 6.979 -8.153 5.928 1.00 62.11 N ATOM 336 CA LYS A 20 7.229 -8.752 7.240 1.00 23.15 C ATOM 337 C LYS A 20 7.036 -7.733 8.371 1.00 52.24 C ATOM 338 O LYS A 20 6.645 -8.115 9.468 1.00 65.53 O ATOM 339 CB LYS A 20 8.617 -9.448 7.263 1.00 70.30 C ATOM 340 CG LYS A 20 8.638 -10.762 6.433 1.00 21.13 C ATOM 341 CD LYS A 20 10.025 -11.450 6.369 1.00 61.13 C ATOM 342 CE LYS A 20 11.052 -10.654 5.544 1.00 30.30 C ATOM 343 NZ LYS A 20 12.249 -11.471 5.208 1.00 4.54 N ATOM 0 H LYS A 20 7.816 -8.064 5.352 1.00 62.11 H new ATOM 0 HA LYS A 20 6.486 -9.529 7.420 1.00 23.15 H new ATOM 0 HB2 LYS A 20 9.370 -8.763 6.872 1.00 70.30 H new ATOM 0 HB3 LYS A 20 8.892 -9.669 8.294 1.00 70.30 H new ATOM 0 HG2 LYS A 20 7.918 -11.460 6.860 1.00 21.13 H new ATOM 0 HG3 LYS A 20 8.306 -10.543 5.418 1.00 21.13 H new ATOM 0 HD2 LYS A 20 10.405 -11.584 7.382 1.00 61.13 H new ATOM 0 HD3 LYS A 20 9.912 -12.444 5.937 1.00 61.13 H new ATOM 0 HE2 LYS A 20 10.584 -10.301 4.625 1.00 30.30 H new ATOM 0 HE3 LYS A 20 11.361 -9.771 6.104 1.00 30.30 H new ATOM 0 HZ1 LYS A 20 13.084 -10.854 5.147 1.00 4.54 H new ATOM 0 HZ2 LYS A 20 12.400 -12.186 5.948 1.00 4.54 H new ATOM 0 HZ3 LYS A 20 12.101 -11.945 4.294 1.00 4.54 H new ATOM 357 N MET A 21 7.255 -6.435 8.078 1.00 55.12 N ATOM 358 CA MET A 21 6.945 -5.341 9.027 1.00 2.23 C ATOM 359 C MET A 21 5.426 -5.129 9.153 1.00 25.23 C ATOM 360 O MET A 21 4.936 -4.815 10.238 1.00 72.44 O ATOM 361 CB MET A 21 7.651 -4.012 8.616 1.00 44.31 C ATOM 362 CG MET A 21 9.076 -3.861 9.168 1.00 45.11 C ATOM 363 SD MET A 21 9.131 -3.806 10.979 1.00 33.44 S ATOM 364 CE MET A 21 8.143 -2.348 11.336 1.00 73.33 C ATOM 0 H MET A 21 7.646 -6.116 7.191 1.00 55.12 H new ATOM 0 HA MET A 21 7.331 -5.639 10.002 1.00 2.23 H new ATOM 0 HB2 MET A 21 7.686 -3.954 7.528 1.00 44.31 H new ATOM 0 HB3 MET A 21 7.049 -3.172 8.961 1.00 44.31 H new ATOM 0 HG2 MET A 21 9.686 -4.693 8.816 1.00 45.11 H new ATOM 0 HG3 MET A 21 9.520 -2.949 8.769 1.00 45.11 H new ATOM 0 HE1 MET A 21 8.321 -2.030 12.363 1.00 73.33 H new ATOM 0 HE2 MET A 21 8.421 -1.544 10.654 1.00 73.33 H new ATOM 0 HE3 MET A 21 7.087 -2.584 11.207 1.00 73.33 H new ATOM 374 N ALA A 22 4.701 -5.277 8.031 1.00 52.53 N ATOM 375 CA ALA A 22 3.232 -5.176 8.013 1.00 13.50 C ATOM 376 C ALA A 22 2.586 -6.352 8.763 1.00 72.42 C ATOM 377 O ALA A 22 1.575 -6.177 9.429 1.00 71.53 O ATOM 378 CB ALA A 22 2.725 -5.086 6.568 1.00 71.33 C ATOM 0 H ALA A 22 5.113 -5.469 7.118 1.00 52.53 H new ATOM 0 HA ALA A 22 2.941 -4.263 8.533 1.00 13.50 H new ATOM 0 HB1 ALA A 22 1.638 -5.012 6.568 1.00 71.33 H new ATOM 0 HB2 ALA A 22 3.149 -4.204 6.088 1.00 71.33 H new ATOM 0 HB3 ALA A 22 3.028 -5.978 6.020 1.00 71.33 H new ATOM 384 N GLU A 23 3.208 -7.541 8.659 1.00 13.25 N ATOM 385 CA GLU A 23 2.784 -8.746 9.403 1.00 12.23 C ATOM 386 C GLU A 23 3.005 -8.546 10.918 1.00 20.31 C ATOM 387 O GLU A 23 2.156 -8.920 11.732 1.00 74.20 O ATOM 388 CB GLU A 23 3.568 -9.980 8.899 1.00 43.40 C ATOM 389 CG GLU A 23 3.288 -10.380 7.439 1.00 74.15 C ATOM 390 CD GLU A 23 4.140 -11.569 6.983 1.00 20.35 C ATOM 391 OE1 GLU A 23 3.737 -12.727 7.224 1.00 32.41 O ATOM 392 OE2 GLU A 23 5.230 -11.355 6.420 1.00 63.40 O ATOM 0 H GLU A 23 4.018 -7.695 8.058 1.00 13.25 H new ATOM 0 HA GLU A 23 1.721 -8.912 9.231 1.00 12.23 H new ATOM 0 HB2 GLU A 23 4.634 -9.783 9.007 1.00 43.40 H new ATOM 0 HB3 GLU A 23 3.334 -10.828 9.543 1.00 43.40 H new ATOM 0 HG2 GLU A 23 2.233 -10.630 7.330 1.00 74.15 H new ATOM 0 HG3 GLU A 23 3.482 -9.527 6.788 1.00 74.15 H new ATOM 399 N LYS A 24 4.160 -7.941 11.268 1.00 12.24 N ATOM 400 CA LYS A 24 4.484 -7.535 12.655 1.00 13.13 C ATOM 401 C LYS A 24 3.495 -6.460 13.159 1.00 63.11 C ATOM 402 O LYS A 24 3.189 -6.391 14.351 1.00 40.40 O ATOM 403 CB LYS A 24 5.940 -6.996 12.727 1.00 0.43 C ATOM 404 CG LYS A 24 7.048 -8.060 12.527 1.00 51.24 C ATOM 405 CD LYS A 24 8.461 -7.426 12.420 1.00 55.35 C ATOM 406 CE LYS A 24 8.882 -6.674 13.695 1.00 43.23 C ATOM 407 NZ LYS A 24 10.200 -5.997 13.541 1.00 64.52 N ATOM 0 H LYS A 24 4.896 -7.719 10.597 1.00 12.24 H new ATOM 0 HA LYS A 24 4.395 -8.411 13.298 1.00 13.13 H new ATOM 0 HB2 LYS A 24 6.061 -6.221 11.970 1.00 0.43 H new ATOM 0 HB3 LYS A 24 6.087 -6.520 13.696 1.00 0.43 H new ATOM 0 HG2 LYS A 24 7.029 -8.762 13.361 1.00 51.24 H new ATOM 0 HG3 LYS A 24 6.840 -8.633 11.623 1.00 51.24 H new ATOM 0 HD2 LYS A 24 9.189 -8.209 12.210 1.00 55.35 H new ATOM 0 HD3 LYS A 24 8.481 -6.737 11.575 1.00 55.35 H new ATOM 0 HE2 LYS A 24 8.122 -5.933 13.945 1.00 43.23 H new ATOM 0 HE3 LYS A 24 8.931 -7.375 14.528 1.00 43.23 H new ATOM 0 HZ1 LYS A 24 10.466 -5.547 14.440 1.00 64.52 H new ATOM 0 HZ2 LYS A 24 10.922 -6.698 13.278 1.00 64.52 H new ATOM 0 HZ3 LYS A 24 10.134 -5.273 12.797 1.00 64.52 H new ATOM 421 N ALA A 25 3.012 -5.623 12.227 1.00 14.44 N ATOM 422 CA ALA A 25 2.055 -4.542 12.509 1.00 61.01 C ATOM 423 C ALA A 25 0.583 -5.007 12.374 1.00 34.24 C ATOM 424 O ALA A 25 -0.328 -4.173 12.451 1.00 11.21 O ATOM 425 CB ALA A 25 2.348 -3.362 11.569 1.00 54.42 C ATOM 0 H ALA A 25 3.279 -5.679 11.244 1.00 14.44 H new ATOM 0 HA ALA A 25 2.182 -4.231 13.546 1.00 61.01 H new ATOM 0 HB1 ALA A 25 1.644 -2.554 11.769 1.00 54.42 H new ATOM 0 HB2 ALA A 25 3.365 -3.007 11.737 1.00 54.42 H new ATOM 0 HB3 ALA A 25 2.243 -3.687 10.534 1.00 54.42 H new ATOM 431 N ASN A 26 0.375 -6.333 12.138 1.00 75.43 N ATOM 432 CA ASN A 26 -0.972 -6.988 12.048 1.00 33.53 C ATOM 433 C ASN A 26 -1.728 -6.612 10.735 1.00 12.24 C ATOM 434 O ASN A 26 -2.808 -7.136 10.453 1.00 53.21 O ATOM 435 CB ASN A 26 -1.813 -6.685 13.336 1.00 50.41 C ATOM 436 CG ASN A 26 -3.181 -7.389 13.412 1.00 33.34 C ATOM 437 OD1 ASN A 26 -3.285 -8.525 13.876 1.00 63.11 O ATOM 438 ND2 ASN A 26 -4.237 -6.714 12.983 1.00 71.23 N ATOM 0 H ASN A 26 1.144 -6.989 12.003 1.00 75.43 H new ATOM 0 HA ASN A 26 -0.820 -8.066 11.998 1.00 33.53 H new ATOM 0 HB2 ASN A 26 -1.226 -6.973 14.209 1.00 50.41 H new ATOM 0 HB3 ASN A 26 -1.973 -5.609 13.400 1.00 50.41 H new ATOM 0 HD21 ASN A 26 -5.165 -7.134 13.032 1.00 71.23 H new ATOM 0 HD22 ASN A 26 -4.122 -5.774 12.603 1.00 71.23 H new ATOM 445 N LEU A 27 -1.114 -5.744 9.910 1.00 71.53 N ATOM 446 CA LEU A 27 -1.706 -5.245 8.651 1.00 71.22 C ATOM 447 C LEU A 27 -1.567 -6.313 7.553 1.00 71.31 C ATOM 448 O LEU A 27 -0.591 -7.074 7.547 1.00 64.34 O ATOM 449 CB LEU A 27 -0.983 -3.938 8.197 1.00 64.42 C ATOM 450 CG LEU A 27 -0.749 -2.852 9.298 1.00 40.52 C ATOM 451 CD1 LEU A 27 -0.121 -1.568 8.722 1.00 12.11 C ATOM 452 CD2 LEU A 27 -2.037 -2.544 10.077 1.00 1.13 C ATOM 0 H LEU A 27 -0.186 -5.365 10.098 1.00 71.53 H new ATOM 0 HA LEU A 27 -2.761 -5.030 8.820 1.00 71.22 H new ATOM 0 HB2 LEU A 27 -0.015 -4.212 7.777 1.00 64.42 H new ATOM 0 HB3 LEU A 27 -1.564 -3.488 7.392 1.00 64.42 H new ATOM 0 HG LEU A 27 -0.032 -3.271 10.003 1.00 40.52 H new ATOM 0 HD11 LEU A 27 0.023 -0.843 9.523 1.00 12.11 H new ATOM 0 HD12 LEU A 27 0.842 -1.805 8.270 1.00 12.11 H new ATOM 0 HD13 LEU A 27 -0.783 -1.147 7.966 1.00 12.11 H new ATOM 0 HD21 LEU A 27 -1.833 -1.785 10.832 1.00 1.13 H new ATOM 0 HD22 LEU A 27 -2.799 -2.176 9.390 1.00 1.13 H new ATOM 0 HD23 LEU A 27 -2.395 -3.452 10.562 1.00 1.13 H new ATOM 464 N GLU A 28 -2.535 -6.376 6.633 1.00 64.32 N ATOM 465 CA GLU A 28 -2.444 -7.256 5.459 1.00 20.50 C ATOM 466 C GLU A 28 -1.758 -6.505 4.308 1.00 33.43 C ATOM 467 O GLU A 28 -2.261 -5.485 3.841 1.00 22.45 O ATOM 468 CB GLU A 28 -3.844 -7.744 5.026 1.00 41.03 C ATOM 469 CG GLU A 28 -3.824 -8.703 3.812 1.00 13.04 C ATOM 470 CD GLU A 28 -5.220 -9.137 3.347 1.00 13.31 C ATOM 471 OE1 GLU A 28 -5.766 -10.113 3.907 1.00 44.12 O ATOM 472 OE2 GLU A 28 -5.777 -8.514 2.413 1.00 53.23 O ATOM 0 H GLU A 28 -3.394 -5.827 6.677 1.00 64.32 H new ATOM 0 HA GLU A 28 -1.851 -8.132 5.721 1.00 20.50 H new ATOM 0 HB2 GLU A 28 -4.319 -8.248 5.868 1.00 41.03 H new ATOM 0 HB3 GLU A 28 -4.461 -6.879 4.783 1.00 41.03 H new ATOM 0 HG2 GLU A 28 -3.310 -8.216 2.984 1.00 13.04 H new ATOM 0 HG3 GLU A 28 -3.244 -9.589 4.070 1.00 13.04 H new ATOM 479 N LEU A 29 -0.613 -7.021 3.852 1.00 14.42 N ATOM 480 CA LEU A 29 0.134 -6.434 2.737 1.00 0.33 C ATOM 481 C LEU A 29 -0.101 -7.289 1.493 1.00 10.04 C ATOM 482 O LEU A 29 0.075 -8.513 1.527 1.00 70.13 O ATOM 483 CB LEU A 29 1.645 -6.290 3.072 1.00 70.33 C ATOM 484 CG LEU A 29 2.549 -5.705 1.916 1.00 4.43 C ATOM 485 CD1 LEU A 29 3.612 -4.732 2.456 1.00 53.45 C ATOM 486 CD2 LEU A 29 3.216 -6.831 1.084 1.00 31.44 C ATOM 0 H LEU A 29 -0.179 -7.856 4.245 1.00 14.42 H new ATOM 0 HA LEU A 29 -0.225 -5.423 2.548 1.00 0.33 H new ATOM 0 HB2 LEU A 29 1.745 -5.648 3.947 1.00 70.33 H new ATOM 0 HB3 LEU A 29 2.032 -7.270 3.350 1.00 70.33 H new ATOM 0 HG LEU A 29 1.886 -5.145 1.256 1.00 4.43 H new ATOM 0 HD11 LEU A 29 4.212 -4.353 1.629 1.00 53.45 H new ATOM 0 HD12 LEU A 29 3.121 -3.899 2.960 1.00 53.45 H new ATOM 0 HD13 LEU A 29 4.257 -5.254 3.163 1.00 53.45 H new ATOM 0 HD21 LEU A 29 3.829 -6.389 0.299 1.00 31.44 H new ATOM 0 HD22 LEU A 29 3.843 -7.441 1.734 1.00 31.44 H new ATOM 0 HD23 LEU A 29 2.445 -7.456 0.633 1.00 31.44 H new ATOM 498 N ARG A 30 -0.526 -6.633 0.408 1.00 43.00 N ATOM 499 CA ARG A 30 -0.784 -7.267 -0.882 1.00 31.44 C ATOM 500 C ARG A 30 0.186 -6.682 -1.911 1.00 64.54 C ATOM 501 O ARG A 30 0.265 -5.453 -2.064 1.00 44.13 O ATOM 502 CB ARG A 30 -2.259 -7.036 -1.309 1.00 22.40 C ATOM 503 CG ARG A 30 -3.345 -7.546 -0.324 1.00 52.21 C ATOM 504 CD ARG A 30 -3.475 -9.085 -0.268 1.00 45.23 C ATOM 505 NE ARG A 30 -2.311 -9.754 0.363 1.00 30.24 N ATOM 506 CZ ARG A 30 -2.317 -10.956 0.951 1.00 3.54 C ATOM 507 NH1 ARG A 30 -3.421 -11.690 1.020 1.00 63.00 N ATOM 508 NH2 ARG A 30 -1.196 -11.423 1.476 1.00 15.43 N ATOM 0 H ARG A 30 -0.702 -5.628 0.405 1.00 43.00 H new ATOM 0 HA ARG A 30 -0.629 -8.343 -0.811 1.00 31.44 H new ATOM 0 HB2 ARG A 30 -2.409 -5.967 -1.460 1.00 22.40 H new ATOM 0 HB3 ARG A 30 -2.416 -7.520 -2.273 1.00 22.40 H new ATOM 0 HG2 ARG A 30 -3.117 -7.175 0.675 1.00 52.21 H new ATOM 0 HG3 ARG A 30 -4.307 -7.121 -0.610 1.00 52.21 H new ATOM 0 HD2 ARG A 30 -4.378 -9.346 0.285 1.00 45.23 H new ATOM 0 HD3 ARG A 30 -3.600 -9.468 -1.281 1.00 45.23 H new ATOM 0 HE ARG A 30 -1.424 -9.251 0.347 1.00 30.24 H new ATOM 0 HH11 ARG A 30 -4.292 -11.341 0.619 1.00 63.00 H new ATOM 0 HH12 ARG A 30 -3.399 -12.603 1.474 1.00 63.00 H new ATOM 0 HH21 ARG A 30 -0.341 -10.868 1.430 1.00 15.43 H new ATOM 0 HH22 ARG A 30 -1.186 -12.338 1.927 1.00 15.43 H new ATOM 522 N THR A 31 0.933 -7.555 -2.587 1.00 72.33 N ATOM 523 CA THR A 31 1.909 -7.156 -3.605 1.00 35.34 C ATOM 524 C THR A 31 1.163 -6.810 -4.902 1.00 14.32 C ATOM 525 O THR A 31 0.318 -7.579 -5.359 1.00 63.14 O ATOM 526 CB THR A 31 2.981 -8.291 -3.857 1.00 63.12 C ATOM 527 OG1 THR A 31 2.782 -9.354 -2.923 1.00 42.23 O ATOM 528 CG2 THR A 31 4.428 -7.784 -3.714 1.00 44.44 C ATOM 0 H THR A 31 0.879 -8.564 -2.444 1.00 72.33 H new ATOM 0 HA THR A 31 2.452 -6.280 -3.251 1.00 35.34 H new ATOM 0 HB THR A 31 2.842 -8.634 -4.882 1.00 63.12 H new ATOM 0 HG1 THR A 31 2.909 -10.214 -3.375 1.00 42.23 H new ATOM 0 HG21 THR A 31 5.121 -8.605 -3.898 1.00 44.44 H new ATOM 0 HG22 THR A 31 4.608 -6.989 -4.437 1.00 44.44 H new ATOM 0 HG23 THR A 31 4.581 -7.399 -2.706 1.00 44.44 H new ATOM 536 N VAL A 32 1.456 -5.637 -5.447 1.00 44.23 N ATOM 537 CA VAL A 32 0.846 -5.131 -6.675 1.00 34.04 C ATOM 538 C VAL A 32 1.911 -5.108 -7.784 1.00 3.21 C ATOM 539 O VAL A 32 2.857 -4.309 -7.734 1.00 34.22 O ATOM 540 CB VAL A 32 0.266 -3.690 -6.445 1.00 35.21 C ATOM 541 CG1 VAL A 32 -0.336 -3.104 -7.740 1.00 32.44 C ATOM 542 CG2 VAL A 32 -0.765 -3.673 -5.286 1.00 31.23 C ATOM 0 H VAL A 32 2.138 -4.996 -5.042 1.00 44.23 H new ATOM 0 HA VAL A 32 0.023 -5.782 -6.970 1.00 34.04 H new ATOM 0 HB VAL A 32 1.099 -3.049 -6.155 1.00 35.21 H new ATOM 0 HG11 VAL A 32 -0.727 -2.106 -7.540 1.00 32.44 H new ATOM 0 HG12 VAL A 32 0.437 -3.044 -8.506 1.00 32.44 H new ATOM 0 HG13 VAL A 32 -1.144 -3.747 -8.089 1.00 32.44 H new ATOM 0 HG21 VAL A 32 -1.147 -2.661 -5.153 1.00 31.23 H new ATOM 0 HG22 VAL A 32 -1.591 -4.344 -5.524 1.00 31.23 H new ATOM 0 HG23 VAL A 32 -0.283 -4.002 -4.365 1.00 31.23 H new ATOM 552 N LYS A 33 1.758 -6.003 -8.766 1.00 32.01 N ATOM 553 CA LYS A 33 2.681 -6.114 -9.918 1.00 64.25 C ATOM 554 C LYS A 33 2.203 -5.237 -11.085 1.00 61.31 C ATOM 555 O LYS A 33 3.021 -4.752 -11.877 1.00 51.23 O ATOM 556 CB LYS A 33 2.870 -7.597 -10.347 1.00 62.33 C ATOM 557 CG LYS A 33 1.582 -8.433 -10.419 1.00 11.04 C ATOM 558 CD LYS A 33 1.883 -9.941 -10.511 1.00 12.01 C ATOM 559 CE LYS A 33 0.634 -10.819 -10.336 1.00 4.21 C ATOM 560 NZ LYS A 33 -0.335 -10.691 -11.461 1.00 12.40 N ATOM 0 H LYS A 33 0.991 -6.675 -8.791 1.00 32.01 H new ATOM 0 HA LYS A 33 3.659 -5.744 -9.609 1.00 64.25 H new ATOM 0 HB2 LYS A 33 3.350 -7.616 -11.325 1.00 62.33 H new ATOM 0 HB3 LYS A 33 3.555 -8.075 -9.647 1.00 62.33 H new ATOM 0 HG2 LYS A 33 0.972 -8.237 -9.537 1.00 11.04 H new ATOM 0 HG3 LYS A 33 0.997 -8.126 -11.286 1.00 11.04 H new ATOM 0 HD2 LYS A 33 2.338 -10.156 -11.478 1.00 12.01 H new ATOM 0 HD3 LYS A 33 2.615 -10.206 -9.748 1.00 12.01 H new ATOM 0 HE2 LYS A 33 0.940 -11.861 -10.245 1.00 4.21 H new ATOM 0 HE3 LYS A 33 0.137 -10.551 -9.404 1.00 4.21 H new ATOM 0 HZ1 LYS A 33 -1.155 -11.306 -11.285 1.00 12.40 H new ATOM 0 HZ2 LYS A 33 -0.653 -9.704 -11.535 1.00 12.40 H new ATOM 0 HZ3 LYS A 33 0.125 -10.974 -12.350 1.00 12.40 H new ATOM 574 N THR A 34 0.868 -5.050 -11.198 1.00 45.22 N ATOM 575 CA THR A 34 0.234 -4.172 -12.213 1.00 55.44 C ATOM 576 C THR A 34 -0.997 -3.480 -11.596 1.00 50.31 C ATOM 577 O THR A 34 -1.465 -3.890 -10.528 1.00 53.45 O ATOM 578 CB THR A 34 -0.206 -4.978 -13.480 1.00 64.04 C ATOM 579 OG1 THR A 34 -1.117 -6.016 -13.091 1.00 73.05 O ATOM 580 CG2 THR A 34 0.985 -5.605 -14.237 1.00 34.50 C ATOM 0 H THR A 34 0.194 -5.507 -10.584 1.00 45.22 H new ATOM 0 HA THR A 34 0.970 -3.430 -12.523 1.00 55.44 H new ATOM 0 HB THR A 34 -0.686 -4.272 -14.158 1.00 64.04 H new ATOM 0 HG1 THR A 34 -1.395 -6.521 -13.883 1.00 73.05 H new ATOM 0 HG21 THR A 34 0.617 -6.151 -15.106 1.00 34.50 H new ATOM 0 HG22 THR A 34 1.664 -4.817 -14.564 1.00 34.50 H new ATOM 0 HG23 THR A 34 1.516 -6.290 -13.576 1.00 34.50 H new ATOM 588 N GLU A 35 -1.547 -2.458 -12.289 1.00 74.41 N ATOM 589 CA GLU A 35 -2.758 -1.735 -11.822 1.00 64.30 C ATOM 590 C GLU A 35 -3.990 -2.647 -11.813 1.00 31.11 C ATOM 591 O GLU A 35 -4.979 -2.310 -11.177 1.00 32.05 O ATOM 592 CB GLU A 35 -3.066 -0.458 -12.654 1.00 24.32 C ATOM 593 CG GLU A 35 -3.465 -0.680 -14.135 1.00 73.32 C ATOM 594 CD GLU A 35 -2.292 -1.103 -15.026 1.00 63.55 C ATOM 595 OE1 GLU A 35 -1.557 -0.217 -15.509 1.00 65.45 O ATOM 596 OE2 GLU A 35 -2.059 -2.318 -15.194 1.00 73.32 O ATOM 0 H GLU A 35 -1.174 -2.113 -13.173 1.00 74.41 H new ATOM 0 HA GLU A 35 -2.532 -1.421 -10.803 1.00 64.30 H new ATOM 0 HB2 GLU A 35 -3.872 0.085 -12.161 1.00 24.32 H new ATOM 0 HB3 GLU A 35 -2.187 0.186 -12.630 1.00 24.32 H new ATOM 0 HG2 GLU A 35 -4.242 -1.443 -14.184 1.00 73.32 H new ATOM 0 HG3 GLU A 35 -3.897 0.240 -14.529 1.00 73.32 H new ATOM 603 N ASP A 36 -3.918 -3.783 -12.538 1.00 50.10 N ATOM 604 CA ASP A 36 -4.942 -4.846 -12.478 1.00 0.12 C ATOM 605 C ASP A 36 -5.091 -5.341 -11.034 1.00 13.10 C ATOM 606 O ASP A 36 -6.202 -5.539 -10.544 1.00 44.15 O ATOM 607 CB ASP A 36 -4.566 -6.043 -13.395 1.00 3.12 C ATOM 608 CG ASP A 36 -4.347 -5.635 -14.859 1.00 63.24 C ATOM 609 OD1 ASP A 36 -3.210 -5.265 -15.219 1.00 53.35 O ATOM 610 OD2 ASP A 36 -5.303 -5.674 -15.658 1.00 22.42 O ATOM 0 H ASP A 36 -3.151 -3.988 -13.179 1.00 50.10 H new ATOM 0 HA ASP A 36 -5.885 -4.426 -12.828 1.00 0.12 H new ATOM 0 HB2 ASP A 36 -3.659 -6.513 -13.015 1.00 3.12 H new ATOM 0 HB3 ASP A 36 -5.357 -6.792 -13.347 1.00 3.12 H new ATOM 615 N GLU A 37 -3.939 -5.506 -10.360 1.00 3.51 N ATOM 616 CA GLU A 37 -3.879 -5.953 -8.965 1.00 54.24 C ATOM 617 C GLU A 37 -4.390 -4.844 -8.038 1.00 44.11 C ATOM 618 O GLU A 37 -5.238 -5.087 -7.190 1.00 31.43 O ATOM 619 CB GLU A 37 -2.434 -6.359 -8.575 1.00 10.35 C ATOM 620 CG GLU A 37 -1.721 -7.244 -9.610 1.00 72.13 C ATOM 621 CD GLU A 37 -2.500 -8.525 -9.981 1.00 64.43 C ATOM 622 OE1 GLU A 37 -2.620 -9.429 -9.122 1.00 54.22 O ATOM 623 OE2 GLU A 37 -2.963 -8.648 -11.138 1.00 21.32 O ATOM 0 H GLU A 37 -3.023 -5.331 -10.773 1.00 3.51 H new ATOM 0 HA GLU A 37 -4.517 -6.830 -8.856 1.00 54.24 H new ATOM 0 HB2 GLU A 37 -1.845 -5.455 -8.421 1.00 10.35 H new ATOM 0 HB3 GLU A 37 -2.463 -6.887 -7.622 1.00 10.35 H new ATOM 0 HG2 GLU A 37 -1.548 -6.661 -10.515 1.00 72.13 H new ATOM 0 HG3 GLU A 37 -0.743 -7.525 -9.220 1.00 72.13 H new ATOM 630 N LEU A 38 -3.894 -3.612 -8.273 1.00 1.50 N ATOM 631 CA LEU A 38 -4.210 -2.424 -7.449 1.00 23.23 C ATOM 632 C LEU A 38 -5.746 -2.216 -7.407 1.00 12.14 C ATOM 633 O LEU A 38 -6.341 -2.060 -6.338 1.00 62.55 O ATOM 634 CB LEU A 38 -3.464 -1.182 -8.057 1.00 1.31 C ATOM 635 CG LEU A 38 -3.203 0.065 -7.135 1.00 23.31 C ATOM 636 CD1 LEU A 38 -4.472 0.879 -6.842 1.00 33.11 C ATOM 637 CD2 LEU A 38 -2.491 -0.346 -5.830 1.00 61.24 C ATOM 0 H LEU A 38 -3.258 -3.411 -9.045 1.00 1.50 H new ATOM 0 HA LEU A 38 -3.871 -2.561 -6.422 1.00 23.23 H new ATOM 0 HB2 LEU A 38 -2.499 -1.525 -8.430 1.00 1.31 H new ATOM 0 HB3 LEU A 38 -4.037 -0.842 -8.920 1.00 1.31 H new ATOM 0 HG LEU A 38 -2.542 0.725 -7.697 1.00 23.31 H new ATOM 0 HD11 LEU A 38 -4.222 1.725 -6.201 1.00 33.11 H new ATOM 0 HD12 LEU A 38 -4.894 1.245 -7.778 1.00 33.11 H new ATOM 0 HD13 LEU A 38 -5.202 0.246 -6.339 1.00 33.11 H new ATOM 0 HD21 LEU A 38 -2.324 0.537 -5.213 1.00 61.24 H new ATOM 0 HD22 LEU A 38 -3.112 -1.057 -5.285 1.00 61.24 H new ATOM 0 HD23 LEU A 38 -1.533 -0.809 -6.068 1.00 61.24 H new ATOM 649 N LYS A 39 -6.351 -2.285 -8.605 1.00 34.15 N ATOM 650 CA LYS A 39 -7.803 -2.186 -8.809 1.00 5.24 C ATOM 651 C LYS A 39 -8.563 -3.307 -8.089 1.00 44.30 C ATOM 652 O LYS A 39 -9.477 -3.020 -7.336 1.00 54.22 O ATOM 653 CB LYS A 39 -8.126 -2.238 -10.322 1.00 43.11 C ATOM 654 CG LYS A 39 -7.886 -0.916 -11.086 1.00 33.03 C ATOM 655 CD LYS A 39 -8.012 -1.083 -12.624 1.00 21.34 C ATOM 656 CE LYS A 39 -9.252 -1.894 -13.059 1.00 32.14 C ATOM 657 NZ LYS A 39 -10.520 -1.343 -12.507 1.00 64.14 N ATOM 0 H LYS A 39 -5.833 -2.414 -9.474 1.00 34.15 H new ATOM 0 HA LYS A 39 -8.128 -1.235 -8.387 1.00 5.24 H new ATOM 0 HB2 LYS A 39 -7.521 -3.020 -10.781 1.00 43.11 H new ATOM 0 HB3 LYS A 39 -9.169 -2.528 -10.446 1.00 43.11 H new ATOM 0 HG2 LYS A 39 -8.603 -0.169 -10.746 1.00 33.03 H new ATOM 0 HG3 LYS A 39 -6.893 -0.537 -10.846 1.00 33.03 H new ATOM 0 HD2 LYS A 39 -8.053 -0.097 -13.086 1.00 21.34 H new ATOM 0 HD3 LYS A 39 -7.116 -1.575 -13.002 1.00 21.34 H new ATOM 0 HE2 LYS A 39 -9.309 -1.907 -14.147 1.00 32.14 H new ATOM 0 HE3 LYS A 39 -9.138 -2.928 -12.734 1.00 32.14 H new ATOM 0 HZ1 LYS A 39 -11.260 -1.375 -13.238 1.00 64.14 H new ATOM 0 HZ2 LYS A 39 -10.818 -1.911 -11.688 1.00 64.14 H new ATOM 0 HZ3 LYS A 39 -10.370 -0.358 -12.209 1.00 64.14 H new ATOM 671 N LYS A 40 -8.176 -4.578 -8.346 1.00 4.34 N ATOM 672 CA LYS A 40 -8.933 -5.750 -7.856 1.00 34.43 C ATOM 673 C LYS A 40 -8.930 -5.807 -6.320 1.00 12.01 C ATOM 674 O LYS A 40 -9.900 -6.268 -5.716 1.00 73.13 O ATOM 675 CB LYS A 40 -8.406 -7.080 -8.481 1.00 43.41 C ATOM 676 CG LYS A 40 -7.077 -7.628 -7.898 1.00 64.12 C ATOM 677 CD LYS A 40 -6.506 -8.832 -8.688 1.00 4.04 C ATOM 678 CE LYS A 40 -7.490 -10.011 -8.797 1.00 14.54 C ATOM 679 NZ LYS A 40 -7.866 -10.562 -7.467 1.00 31.02 N ATOM 0 H LYS A 40 -7.346 -4.816 -8.889 1.00 4.34 H new ATOM 0 HA LYS A 40 -9.967 -5.633 -8.181 1.00 34.43 H new ATOM 0 HB2 LYS A 40 -9.174 -7.844 -8.361 1.00 43.41 H new ATOM 0 HB3 LYS A 40 -8.274 -6.927 -9.552 1.00 43.41 H new ATOM 0 HG2 LYS A 40 -6.337 -6.828 -7.886 1.00 64.12 H new ATOM 0 HG3 LYS A 40 -7.240 -7.927 -6.863 1.00 64.12 H new ATOM 0 HD2 LYS A 40 -6.232 -8.503 -9.690 1.00 4.04 H new ATOM 0 HD3 LYS A 40 -5.592 -9.175 -8.204 1.00 4.04 H new ATOM 0 HE2 LYS A 40 -8.389 -9.683 -9.319 1.00 14.54 H new ATOM 0 HE3 LYS A 40 -7.042 -10.800 -9.400 1.00 14.54 H new ATOM 0 HZ1 LYS A 40 -8.529 -11.353 -7.594 1.00 31.02 H new ATOM 0 HZ2 LYS A 40 -7.013 -10.901 -6.978 1.00 31.02 H new ATOM 0 HZ3 LYS A 40 -8.319 -9.818 -6.898 1.00 31.02 H new ATOM 693 N TYR A 41 -7.833 -5.311 -5.704 1.00 52.42 N ATOM 694 CA TYR A 41 -7.715 -5.213 -4.245 1.00 34.14 C ATOM 695 C TYR A 41 -8.677 -4.135 -3.713 1.00 22.40 C ATOM 696 O TYR A 41 -9.447 -4.403 -2.802 1.00 13.13 O ATOM 697 CB TYR A 41 -6.248 -4.908 -3.818 1.00 13.21 C ATOM 698 CG TYR A 41 -5.223 -6.004 -4.183 1.00 51.44 C ATOM 699 CD1 TYR A 41 -5.580 -7.359 -4.216 1.00 4.14 C ATOM 700 CD2 TYR A 41 -3.895 -5.680 -4.501 1.00 53.42 C ATOM 701 CE1 TYR A 41 -4.661 -8.335 -4.559 1.00 24.43 C ATOM 702 CE2 TYR A 41 -2.978 -6.657 -4.841 1.00 33.52 C ATOM 703 CZ TYR A 41 -3.366 -7.980 -4.872 1.00 13.52 C ATOM 704 OH TYR A 41 -2.457 -8.954 -5.224 1.00 31.54 O ATOM 0 H TYR A 41 -7.013 -4.971 -6.207 1.00 52.42 H new ATOM 0 HA TYR A 41 -7.989 -6.174 -3.810 1.00 34.14 H new ATOM 0 HB2 TYR A 41 -5.937 -3.972 -4.282 1.00 13.21 H new ATOM 0 HB3 TYR A 41 -6.224 -4.753 -2.739 1.00 13.21 H new ATOM 0 HD1 TYR A 41 -6.591 -7.647 -3.969 1.00 4.14 H new ATOM 0 HD2 TYR A 41 -3.583 -4.646 -4.480 1.00 53.42 H new ATOM 0 HE1 TYR A 41 -4.958 -9.373 -4.581 1.00 24.43 H new ATOM 0 HE2 TYR A 41 -1.961 -6.385 -5.082 1.00 33.52 H new ATOM 0 HH TYR A 41 -1.561 -8.561 -5.280 1.00 31.54 H new ATOM 714 N LEU A 42 -8.639 -2.926 -4.323 1.00 73.42 N ATOM 715 CA LEU A 42 -9.507 -1.796 -3.915 1.00 72.42 C ATOM 716 C LEU A 42 -11.012 -2.119 -4.084 1.00 44.31 C ATOM 717 O LEU A 42 -11.795 -1.911 -3.163 1.00 62.12 O ATOM 718 CB LEU A 42 -9.150 -0.519 -4.712 1.00 24.34 C ATOM 719 CG LEU A 42 -7.771 0.141 -4.411 1.00 22.52 C ATOM 720 CD1 LEU A 42 -7.570 1.380 -5.304 1.00 75.01 C ATOM 721 CD2 LEU A 42 -7.623 0.495 -2.914 1.00 53.31 C ATOM 0 H LEU A 42 -8.015 -2.709 -5.100 1.00 73.42 H new ATOM 0 HA LEU A 42 -9.324 -1.624 -2.854 1.00 72.42 H new ATOM 0 HB2 LEU A 42 -9.185 -0.762 -5.774 1.00 24.34 H new ATOM 0 HB3 LEU A 42 -9.928 0.223 -4.529 1.00 24.34 H new ATOM 0 HG LEU A 42 -6.989 -0.582 -4.643 1.00 22.52 H new ATOM 0 HD11 LEU A 42 -6.603 1.833 -5.085 1.00 75.01 H new ATOM 0 HD12 LEU A 42 -7.602 1.082 -6.352 1.00 75.01 H new ATOM 0 HD13 LEU A 42 -8.362 2.102 -5.108 1.00 75.01 H new ATOM 0 HD21 LEU A 42 -6.649 0.953 -2.743 1.00 53.31 H new ATOM 0 HD22 LEU A 42 -8.408 1.194 -2.626 1.00 53.31 H new ATOM 0 HD23 LEU A 42 -7.707 -0.412 -2.316 1.00 53.31 H new ATOM 733 N GLU A 43 -11.390 -2.644 -5.261 1.00 63.53 N ATOM 734 CA GLU A 43 -12.789 -3.011 -5.587 1.00 13.02 C ATOM 735 C GLU A 43 -13.332 -4.057 -4.598 1.00 55.21 C ATOM 736 O GLU A 43 -14.525 -4.074 -4.280 1.00 34.52 O ATOM 737 CB GLU A 43 -12.880 -3.522 -7.047 1.00 63.23 C ATOM 738 CG GLU A 43 -12.698 -2.412 -8.093 1.00 35.01 C ATOM 739 CD GLU A 43 -12.596 -2.915 -9.539 1.00 0.10 C ATOM 740 OE1 GLU A 43 -13.568 -3.524 -10.037 1.00 63.52 O ATOM 741 OE2 GLU A 43 -11.551 -2.696 -10.192 1.00 12.14 O ATOM 0 H GLU A 43 -10.735 -2.829 -6.021 1.00 63.53 H new ATOM 0 HA GLU A 43 -13.411 -2.120 -5.494 1.00 13.02 H new ATOM 0 HB2 GLU A 43 -12.120 -4.288 -7.204 1.00 63.23 H new ATOM 0 HB3 GLU A 43 -13.849 -3.998 -7.198 1.00 63.23 H new ATOM 0 HG2 GLU A 43 -13.537 -1.720 -8.020 1.00 35.01 H new ATOM 0 HG3 GLU A 43 -11.797 -1.847 -7.853 1.00 35.01 H new ATOM 748 N GLU A 44 -12.420 -4.905 -4.107 1.00 65.32 N ATOM 749 CA GLU A 44 -12.707 -5.873 -3.048 1.00 34.41 C ATOM 750 C GLU A 44 -12.927 -5.139 -1.703 1.00 62.35 C ATOM 751 O GLU A 44 -13.914 -5.379 -1.026 1.00 24.13 O ATOM 752 CB GLU A 44 -11.532 -6.869 -2.951 1.00 31.01 C ATOM 753 CG GLU A 44 -11.764 -8.069 -2.024 1.00 13.00 C ATOM 754 CD GLU A 44 -10.527 -8.966 -1.922 1.00 20.53 C ATOM 755 OE1 GLU A 44 -9.602 -8.619 -1.160 1.00 45.30 O ATOM 756 OE2 GLU A 44 -10.452 -9.998 -2.629 1.00 5.21 O ATOM 0 H GLU A 44 -11.456 -4.937 -4.438 1.00 65.32 H new ATOM 0 HA GLU A 44 -13.620 -6.422 -3.281 1.00 34.41 H new ATOM 0 HB2 GLU A 44 -11.309 -7.241 -3.951 1.00 31.01 H new ATOM 0 HB3 GLU A 44 -10.649 -6.331 -2.607 1.00 31.01 H new ATOM 0 HG2 GLU A 44 -12.035 -7.712 -1.030 1.00 13.00 H new ATOM 0 HG3 GLU A 44 -12.606 -8.654 -2.393 1.00 13.00 H new ATOM 763 N PHE A 45 -12.023 -4.195 -1.385 1.00 51.15 N ATOM 764 CA PHE A 45 -12.041 -3.424 -0.115 1.00 34.43 C ATOM 765 C PHE A 45 -13.289 -2.517 0.037 1.00 20.44 C ATOM 766 O PHE A 45 -13.604 -2.095 1.152 1.00 54.53 O ATOM 767 CB PHE A 45 -10.749 -2.559 -0.005 1.00 51.02 C ATOM 768 CG PHE A 45 -9.429 -3.339 0.102 1.00 40.51 C ATOM 769 CD1 PHE A 45 -9.389 -4.656 0.584 1.00 51.03 C ATOM 770 CD2 PHE A 45 -8.221 -2.751 -0.293 1.00 0.23 C ATOM 771 CE1 PHE A 45 -8.192 -5.347 0.660 1.00 34.43 C ATOM 772 CE2 PHE A 45 -7.029 -3.449 -0.216 1.00 55.31 C ATOM 773 CZ PHE A 45 -7.015 -4.745 0.260 1.00 74.35 C ATOM 0 H PHE A 45 -11.252 -3.939 -2.002 1.00 51.15 H new ATOM 0 HA PHE A 45 -12.083 -4.155 0.692 1.00 34.43 H new ATOM 0 HB2 PHE A 45 -10.695 -1.908 -0.878 1.00 51.02 H new ATOM 0 HB3 PHE A 45 -10.840 -1.914 0.869 1.00 51.02 H new ATOM 0 HD1 PHE A 45 -10.303 -5.137 0.900 1.00 51.03 H new ATOM 0 HD2 PHE A 45 -8.220 -1.737 -0.664 1.00 0.23 H new ATOM 0 HE1 PHE A 45 -8.178 -6.360 1.033 1.00 34.43 H new ATOM 0 HE2 PHE A 45 -6.108 -2.979 -0.529 1.00 55.31 H new ATOM 0 HZ PHE A 45 -6.083 -5.288 0.320 1.00 74.35 H new ATOM 783 N ARG A 46 -13.985 -2.221 -1.082 1.00 3.22 N ATOM 784 CA ARG A 46 -15.186 -1.353 -1.068 1.00 45.35 C ATOM 785 C ARG A 46 -16.344 -1.990 -0.258 1.00 54.34 C ATOM 786 O ARG A 46 -17.142 -1.267 0.349 1.00 34.31 O ATOM 787 CB ARG A 46 -15.669 -1.031 -2.506 1.00 43.33 C ATOM 788 CG ARG A 46 -14.608 -0.371 -3.416 1.00 42.14 C ATOM 789 CD ARG A 46 -15.205 0.241 -4.701 1.00 43.40 C ATOM 790 NE ARG A 46 -15.980 1.458 -4.403 1.00 61.42 N ATOM 791 CZ ARG A 46 -16.841 2.071 -5.231 1.00 14.42 C ATOM 792 NH1 ARG A 46 -17.084 1.604 -6.454 1.00 62.15 N ATOM 793 NH2 ARG A 46 -17.440 3.180 -4.812 1.00 71.23 N ATOM 0 H ARG A 46 -13.737 -2.570 -2.008 1.00 3.22 H new ATOM 0 HA ARG A 46 -14.894 -0.423 -0.580 1.00 45.35 H new ATOM 0 HB2 ARG A 46 -16.006 -1.955 -2.976 1.00 43.33 H new ATOM 0 HB3 ARG A 46 -16.534 -0.371 -2.444 1.00 43.33 H new ATOM 0 HG2 ARG A 46 -14.092 0.409 -2.855 1.00 42.14 H new ATOM 0 HG3 ARG A 46 -13.860 -1.115 -3.689 1.00 42.14 H new ATOM 0 HD2 ARG A 46 -14.403 0.480 -5.400 1.00 43.40 H new ATOM 0 HD3 ARG A 46 -15.847 -0.491 -5.191 1.00 43.40 H new ATOM 0 HE ARG A 46 -15.850 1.874 -3.481 1.00 61.42 H new ATOM 0 HH11 ARG A 46 -16.611 0.762 -6.781 1.00 62.15 H new ATOM 0 HH12 ARG A 46 -17.743 2.089 -7.063 1.00 62.15 H new ATOM 0 HH21 ARG A 46 -17.241 3.546 -3.881 1.00 71.23 H new ATOM 0 HH22 ARG A 46 -18.099 3.665 -5.421 1.00 71.23 H new ATOM 807 N LYS A 47 -16.404 -3.342 -0.239 1.00 1.41 N ATOM 808 CA LYS A 47 -17.455 -4.099 0.491 1.00 41.34 C ATOM 809 C LYS A 47 -17.376 -3.827 2.010 1.00 14.33 C ATOM 810 O LYS A 47 -18.372 -3.940 2.728 1.00 25.24 O ATOM 811 CB LYS A 47 -17.332 -5.625 0.211 1.00 30.15 C ATOM 812 CG LYS A 47 -16.127 -6.331 0.891 1.00 32.21 C ATOM 813 CD LYS A 47 -15.979 -7.817 0.482 1.00 44.31 C ATOM 814 CE LYS A 47 -15.748 -8.013 -1.031 1.00 41.52 C ATOM 815 NZ LYS A 47 -15.492 -9.436 -1.385 1.00 10.34 N ATOM 0 H LYS A 47 -15.733 -3.937 -0.724 1.00 1.41 H new ATOM 0 HA LYS A 47 -18.425 -3.757 0.129 1.00 41.34 H new ATOM 0 HB2 LYS A 47 -18.250 -6.113 0.539 1.00 30.15 H new ATOM 0 HB3 LYS A 47 -17.259 -5.775 -0.866 1.00 30.15 H new ATOM 0 HG2 LYS A 47 -15.211 -5.798 0.636 1.00 32.21 H new ATOM 0 HG3 LYS A 47 -16.241 -6.269 1.973 1.00 32.21 H new ATOM 0 HD2 LYS A 47 -15.145 -8.256 1.030 1.00 44.31 H new ATOM 0 HD3 LYS A 47 -16.877 -8.360 0.779 1.00 44.31 H new ATOM 0 HE2 LYS A 47 -16.620 -7.656 -1.578 1.00 41.52 H new ATOM 0 HE3 LYS A 47 -14.902 -7.404 -1.349 1.00 41.52 H new ATOM 0 HZ1 LYS A 47 -15.343 -9.517 -2.411 1.00 10.34 H new ATOM 0 HZ2 LYS A 47 -14.644 -9.771 -0.884 1.00 10.34 H new ATOM 0 HZ3 LYS A 47 -16.310 -10.015 -1.107 1.00 10.34 H new ATOM 829 N GLU A 48 -16.165 -3.466 2.474 1.00 73.20 N ATOM 830 CA GLU A 48 -15.881 -3.152 3.878 1.00 71.43 C ATOM 831 C GLU A 48 -15.276 -1.735 3.979 1.00 15.05 C ATOM 832 O GLU A 48 -14.430 -1.466 4.840 1.00 23.32 O ATOM 833 CB GLU A 48 -14.928 -4.237 4.467 1.00 44.12 C ATOM 834 CG GLU A 48 -13.568 -4.380 3.745 1.00 32.21 C ATOM 835 CD GLU A 48 -12.631 -5.378 4.441 1.00 51.40 C ATOM 836 OE1 GLU A 48 -12.047 -5.025 5.485 1.00 24.23 O ATOM 837 OE2 GLU A 48 -12.489 -6.527 3.972 1.00 41.51 O ATOM 0 H GLU A 48 -15.347 -3.384 1.871 1.00 73.20 H new ATOM 0 HA GLU A 48 -16.801 -3.161 4.463 1.00 71.43 H new ATOM 0 HB2 GLU A 48 -14.742 -4.004 5.515 1.00 44.12 H new ATOM 0 HB3 GLU A 48 -15.439 -5.200 4.440 1.00 44.12 H new ATOM 0 HG2 GLU A 48 -13.738 -4.703 2.718 1.00 32.21 H new ATOM 0 HG3 GLU A 48 -13.083 -3.405 3.696 1.00 32.21 H new ATOM 844 N SER A 49 -15.779 -0.807 3.126 1.00 4.32 N ATOM 845 CA SER A 49 -15.304 0.598 3.097 1.00 75.13 C ATOM 846 C SER A 49 -15.651 1.372 4.407 1.00 2.54 C ATOM 847 O SER A 49 -15.216 2.522 4.586 1.00 20.32 O ATOM 848 CB SER A 49 -15.843 1.336 1.840 1.00 61.41 C ATOM 849 OG SER A 49 -15.204 2.594 1.619 1.00 35.32 O ATOM 0 H SER A 49 -16.515 -1.008 2.449 1.00 4.32 H new ATOM 0 HA SER A 49 -14.216 0.569 3.036 1.00 75.13 H new ATOM 0 HB2 SER A 49 -15.701 0.703 0.964 1.00 61.41 H new ATOM 0 HB3 SER A 49 -16.916 1.493 1.949 1.00 61.41 H new ATOM 0 HG SER A 49 -14.974 3.000 2.481 1.00 35.32 H new ATOM 855 N GLN A 50 -16.422 0.733 5.316 1.00 21.22 N ATOM 856 CA GLN A 50 -16.700 1.268 6.658 1.00 0.30 C ATOM 857 C GLN A 50 -15.406 1.266 7.520 1.00 43.21 C ATOM 858 O GLN A 50 -14.886 0.200 7.865 1.00 63.22 O ATOM 859 CB GLN A 50 -17.848 0.460 7.341 1.00 51.33 C ATOM 860 CG GLN A 50 -17.613 -1.068 7.461 1.00 55.50 C ATOM 861 CD GLN A 50 -18.627 -1.760 8.372 1.00 21.12 C ATOM 862 OE1 GLN A 50 -19.674 -2.235 7.927 1.00 61.24 O ATOM 863 NE2 GLN A 50 -18.328 -1.807 9.661 1.00 10.22 N ATOM 0 H GLN A 50 -16.866 -0.167 5.135 1.00 21.22 H new ATOM 0 HA GLN A 50 -17.035 2.301 6.565 1.00 0.30 H new ATOM 0 HB2 GLN A 50 -18.008 0.864 8.341 1.00 51.33 H new ATOM 0 HB3 GLN A 50 -18.768 0.625 6.780 1.00 51.33 H new ATOM 0 HG2 GLN A 50 -17.660 -1.516 6.468 1.00 55.50 H new ATOM 0 HG3 GLN A 50 -16.608 -1.246 7.844 1.00 55.50 H new ATOM 0 HE21 GLN A 50 -17.453 -1.404 9.997 1.00 10.22 H new ATOM 0 HE22 GLN A 50 -18.973 -2.246 10.318 1.00 10.22 H new ATOM 872 N ASN A 51 -14.870 2.480 7.803 1.00 2.14 N ATOM 873 CA ASN A 51 -13.658 2.686 8.644 1.00 0.44 C ATOM 874 C ASN A 51 -12.464 1.855 8.144 1.00 10.03 C ATOM 875 O ASN A 51 -11.815 1.121 8.913 1.00 70.20 O ATOM 876 CB ASN A 51 -13.957 2.414 10.153 1.00 74.13 C ATOM 877 CG ASN A 51 -14.700 3.559 10.838 1.00 34.31 C ATOM 878 OD1 ASN A 51 -14.541 4.728 10.483 1.00 71.21 O ATOM 879 ND2 ASN A 51 -15.507 3.239 11.830 1.00 51.23 N ATOM 0 H ASN A 51 -15.268 3.351 7.453 1.00 2.14 H new ATOM 0 HA ASN A 51 -13.376 3.735 8.550 1.00 0.44 H new ATOM 0 HB2 ASN A 51 -14.548 1.503 10.240 1.00 74.13 H new ATOM 0 HB3 ASN A 51 -13.017 2.236 10.676 1.00 74.13 H new ATOM 0 HD21 ASN A 51 -16.020 3.968 12.326 1.00 51.23 H new ATOM 0 HD22 ASN A 51 -15.619 2.262 12.102 1.00 51.23 H new ATOM 886 N ILE A 52 -12.198 1.971 6.843 1.00 2.05 N ATOM 887 CA ILE A 52 -11.067 1.309 6.199 1.00 55.45 C ATOM 888 C ILE A 52 -10.030 2.370 5.807 1.00 24.22 C ATOM 889 O ILE A 52 -10.377 3.492 5.415 1.00 42.11 O ATOM 890 CB ILE A 52 -11.512 0.459 4.951 1.00 10.41 C ATOM 891 CG1 ILE A 52 -10.378 -0.514 4.496 1.00 72.44 C ATOM 892 CG2 ILE A 52 -11.971 1.358 3.781 1.00 21.31 C ATOM 893 CD1 ILE A 52 -10.786 -1.494 3.409 1.00 13.13 C ATOM 0 H ILE A 52 -12.764 2.530 6.205 1.00 2.05 H new ATOM 0 HA ILE A 52 -10.624 0.606 6.905 1.00 55.45 H new ATOM 0 HB ILE A 52 -12.368 -0.141 5.259 1.00 10.41 H new ATOM 0 HG12 ILE A 52 -9.533 0.075 4.138 1.00 72.44 H new ATOM 0 HG13 ILE A 52 -10.030 -1.076 5.362 1.00 72.44 H new ATOM 0 HG21 ILE A 52 -12.270 0.734 2.939 1.00 21.31 H new ATOM 0 HG22 ILE A 52 -12.817 1.967 4.100 1.00 21.31 H new ATOM 0 HG23 ILE A 52 -11.150 2.008 3.478 1.00 21.31 H new ATOM 0 HD11 ILE A 52 -9.938 -2.130 3.155 1.00 13.13 H new ATOM 0 HD12 ILE A 52 -11.609 -2.113 3.767 1.00 13.13 H new ATOM 0 HD13 ILE A 52 -11.105 -0.944 2.524 1.00 13.13 H new ATOM 905 N LYS A 53 -8.763 2.019 5.969 1.00 53.15 N ATOM 906 CA LYS A 53 -7.628 2.850 5.602 1.00 4.22 C ATOM 907 C LYS A 53 -6.656 1.949 4.846 1.00 50.32 C ATOM 908 O LYS A 53 -6.263 0.897 5.358 1.00 11.33 O ATOM 909 CB LYS A 53 -6.953 3.446 6.865 1.00 31.21 C ATOM 910 CG LYS A 53 -7.847 4.370 7.720 1.00 20.31 C ATOM 911 CD LYS A 53 -7.159 4.850 9.015 1.00 15.32 C ATOM 912 CE LYS A 53 -5.808 5.532 8.765 1.00 32.41 C ATOM 913 NZ LYS A 53 -5.209 6.059 10.017 1.00 33.12 N ATOM 0 H LYS A 53 -8.489 1.122 6.371 1.00 53.15 H new ATOM 0 HA LYS A 53 -7.943 3.691 4.984 1.00 4.22 H new ATOM 0 HB2 LYS A 53 -6.604 2.625 7.491 1.00 31.21 H new ATOM 0 HB3 LYS A 53 -6.072 4.007 6.555 1.00 31.21 H new ATOM 0 HG2 LYS A 53 -8.135 5.237 7.126 1.00 20.31 H new ATOM 0 HG3 LYS A 53 -8.764 3.841 7.978 1.00 20.31 H new ATOM 0 HD2 LYS A 53 -7.819 5.545 9.533 1.00 15.32 H new ATOM 0 HD3 LYS A 53 -7.011 3.997 9.678 1.00 15.32 H new ATOM 0 HE2 LYS A 53 -5.122 4.820 8.307 1.00 32.41 H new ATOM 0 HE3 LYS A 53 -5.940 6.348 8.055 1.00 32.41 H new ATOM 0 HZ1 LYS A 53 -4.298 6.511 9.802 1.00 33.12 H new ATOM 0 HZ2 LYS A 53 -5.851 6.758 10.442 1.00 33.12 H new ATOM 0 HZ3 LYS A 53 -5.058 5.277 10.686 1.00 33.12 H new ATOM 927 N VAL A 54 -6.310 2.334 3.618 1.00 40.31 N ATOM 928 CA VAL A 54 -5.330 1.609 2.796 1.00 11.25 C ATOM 929 C VAL A 54 -4.079 2.488 2.625 1.00 2.11 C ATOM 930 O VAL A 54 -4.191 3.698 2.450 1.00 65.43 O ATOM 931 CB VAL A 54 -5.933 1.212 1.400 1.00 41.42 C ATOM 932 CG1 VAL A 54 -4.917 0.421 0.542 1.00 12.25 C ATOM 933 CG2 VAL A 54 -7.259 0.421 1.569 1.00 1.44 C ATOM 0 H VAL A 54 -6.700 3.158 3.161 1.00 40.31 H new ATOM 0 HA VAL A 54 -5.059 0.681 3.299 1.00 11.25 H new ATOM 0 HB VAL A 54 -6.158 2.136 0.867 1.00 41.42 H new ATOM 0 HG11 VAL A 54 -5.371 0.165 -0.415 1.00 12.25 H new ATOM 0 HG12 VAL A 54 -4.031 1.032 0.371 1.00 12.25 H new ATOM 0 HG13 VAL A 54 -4.632 -0.492 1.065 1.00 12.25 H new ATOM 0 HG21 VAL A 54 -7.654 0.159 0.587 1.00 1.44 H new ATOM 0 HG22 VAL A 54 -7.070 -0.489 2.139 1.00 1.44 H new ATOM 0 HG23 VAL A 54 -7.985 1.037 2.100 1.00 1.44 H new ATOM 943 N LEU A 55 -2.894 1.873 2.726 1.00 42.40 N ATOM 944 CA LEU A 55 -1.605 2.554 2.542 1.00 20.02 C ATOM 945 C LEU A 55 -0.876 1.940 1.344 1.00 64.15 C ATOM 946 O LEU A 55 -0.477 0.777 1.395 1.00 54.44 O ATOM 947 CB LEU A 55 -0.734 2.411 3.814 1.00 41.13 C ATOM 948 CG LEU A 55 0.627 3.178 3.790 1.00 35.30 C ATOM 949 CD1 LEU A 55 0.416 4.703 3.741 1.00 44.41 C ATOM 950 CD2 LEU A 55 1.520 2.758 4.971 1.00 43.14 C ATOM 0 H LEU A 55 -2.802 0.880 2.940 1.00 42.40 H new ATOM 0 HA LEU A 55 -1.784 3.614 2.360 1.00 20.02 H new ATOM 0 HB2 LEU A 55 -1.312 2.760 4.670 1.00 41.13 H new ATOM 0 HB3 LEU A 55 -0.531 1.352 3.977 1.00 41.13 H new ATOM 0 HG LEU A 55 1.149 2.902 2.874 1.00 35.30 H new ATOM 0 HD11 LEU A 55 1.384 5.204 3.725 1.00 44.41 H new ATOM 0 HD12 LEU A 55 -0.142 4.964 2.842 1.00 44.41 H new ATOM 0 HD13 LEU A 55 -0.143 5.021 4.621 1.00 44.41 H new ATOM 0 HD21 LEU A 55 2.461 3.307 4.929 1.00 43.14 H new ATOM 0 HD22 LEU A 55 1.011 2.980 5.909 1.00 43.14 H new ATOM 0 HD23 LEU A 55 1.722 1.688 4.912 1.00 43.14 H new ATOM 962 N ILE A 56 -0.707 2.714 0.264 1.00 41.22 N ATOM 963 CA ILE A 56 -0.032 2.241 -0.952 1.00 43.15 C ATOM 964 C ILE A 56 1.406 2.795 -1.003 1.00 52.15 C ATOM 965 O ILE A 56 1.597 4.001 -1.139 1.00 53.42 O ATOM 966 CB ILE A 56 -0.831 2.631 -2.254 1.00 4.31 C ATOM 967 CG1 ILE A 56 -2.298 2.087 -2.179 1.00 21.41 C ATOM 968 CG2 ILE A 56 -0.108 2.105 -3.524 1.00 32.51 C ATOM 969 CD1 ILE A 56 -3.194 2.460 -3.354 1.00 4.42 C ATOM 0 H ILE A 56 -1.032 3.679 0.208 1.00 41.22 H new ATOM 0 HA ILE A 56 0.007 1.152 -0.916 1.00 43.15 H new ATOM 0 HB ILE A 56 -0.873 3.718 -2.319 1.00 4.31 H new ATOM 0 HG12 ILE A 56 -2.261 1.000 -2.103 1.00 21.41 H new ATOM 0 HG13 ILE A 56 -2.758 2.456 -1.262 1.00 21.41 H new ATOM 0 HG21 ILE A 56 -0.678 2.386 -4.410 1.00 32.51 H new ATOM 0 HG22 ILE A 56 0.890 2.540 -3.581 1.00 32.51 H new ATOM 0 HG23 ILE A 56 -0.028 1.019 -3.474 1.00 32.51 H new ATOM 0 HD11 ILE A 56 -4.186 2.035 -3.204 1.00 4.42 H new ATOM 0 HD12 ILE A 56 -3.271 3.545 -3.423 1.00 4.42 H new ATOM 0 HD13 ILE A 56 -2.767 2.067 -4.277 1.00 4.42 H new ATOM 981 N LEU A 57 2.411 1.908 -0.877 1.00 60.12 N ATOM 982 CA LEU A 57 3.838 2.292 -0.939 1.00 55.02 C ATOM 983 C LEU A 57 4.334 1.997 -2.351 1.00 50.41 C ATOM 984 O LEU A 57 4.427 0.836 -2.739 1.00 54.33 O ATOM 985 CB LEU A 57 4.718 1.502 0.090 1.00 30.22 C ATOM 986 CG LEU A 57 4.425 1.713 1.616 1.00 11.31 C ATOM 987 CD1 LEU A 57 4.400 3.199 1.991 1.00 75.13 C ATOM 988 CD2 LEU A 57 3.143 0.989 2.056 1.00 61.41 C ATOM 0 H LEU A 57 2.260 0.910 -0.730 1.00 60.12 H new ATOM 0 HA LEU A 57 3.924 3.349 -0.688 1.00 55.02 H new ATOM 0 HB2 LEU A 57 4.614 0.439 -0.127 1.00 30.22 H new ATOM 0 HB3 LEU A 57 5.761 1.764 -0.090 1.00 30.22 H new ATOM 0 HG LEU A 57 5.250 1.261 2.166 1.00 11.31 H new ATOM 0 HD11 LEU A 57 4.194 3.302 3.056 1.00 75.13 H new ATOM 0 HD12 LEU A 57 5.367 3.648 1.763 1.00 75.13 H new ATOM 0 HD13 LEU A 57 3.621 3.705 1.420 1.00 75.13 H new ATOM 0 HD21 LEU A 57 2.975 1.160 3.119 1.00 61.41 H new ATOM 0 HD22 LEU A 57 2.295 1.373 1.489 1.00 61.41 H new ATOM 0 HD23 LEU A 57 3.248 -0.080 1.873 1.00 61.41 H new ATOM 1000 N VAL A 58 4.655 3.044 -3.107 1.00 63.34 N ATOM 1001 CA VAL A 58 5.110 2.920 -4.498 1.00 61.43 C ATOM 1002 C VAL A 58 6.613 3.202 -4.581 1.00 21.21 C ATOM 1003 O VAL A 58 7.143 3.991 -3.803 1.00 14.52 O ATOM 1004 CB VAL A 58 4.317 3.898 -5.437 1.00 44.52 C ATOM 1005 CG1 VAL A 58 2.807 3.593 -5.383 1.00 23.31 C ATOM 1006 CG2 VAL A 58 4.585 5.373 -5.087 1.00 53.23 C ATOM 0 H VAL A 58 4.608 4.007 -2.775 1.00 63.34 H new ATOM 0 HA VAL A 58 4.919 1.901 -4.835 1.00 61.43 H new ATOM 0 HB VAL A 58 4.673 3.735 -6.454 1.00 44.52 H new ATOM 0 HG11 VAL A 58 2.273 4.280 -6.040 1.00 23.31 H new ATOM 0 HG12 VAL A 58 2.631 2.568 -5.710 1.00 23.31 H new ATOM 0 HG13 VAL A 58 2.448 3.715 -4.361 1.00 23.31 H new ATOM 0 HG21 VAL A 58 4.017 6.016 -5.760 1.00 53.23 H new ATOM 0 HG22 VAL A 58 4.279 5.564 -4.059 1.00 53.23 H new ATOM 0 HG23 VAL A 58 5.649 5.585 -5.194 1.00 53.23 H new ATOM 1016 N SER A 59 7.294 2.548 -5.521 1.00 54.01 N ATOM 1017 CA SER A 59 8.733 2.760 -5.761 1.00 44.44 C ATOM 1018 C SER A 59 8.952 3.930 -6.741 1.00 13.22 C ATOM 1019 O SER A 59 10.064 4.474 -6.831 1.00 12.24 O ATOM 1020 CB SER A 59 9.363 1.457 -6.303 1.00 34.01 C ATOM 1021 OG SER A 59 10.775 1.570 -6.480 1.00 11.33 O ATOM 0 H SER A 59 6.871 1.856 -6.140 1.00 54.01 H new ATOM 0 HA SER A 59 9.220 3.020 -4.821 1.00 44.44 H new ATOM 0 HB2 SER A 59 9.150 0.639 -5.614 1.00 34.01 H new ATOM 0 HB3 SER A 59 8.899 1.201 -7.256 1.00 34.01 H new ATOM 0 HG SER A 59 11.131 0.723 -6.822 1.00 11.33 H new ATOM 1027 N ASN A 60 7.882 4.327 -7.453 1.00 54.23 N ATOM 1028 CA ASN A 60 7.946 5.320 -8.540 1.00 63.41 C ATOM 1029 C ASN A 60 6.783 6.324 -8.465 1.00 55.13 C ATOM 1030 O ASN A 60 5.655 5.976 -8.096 1.00 50.04 O ATOM 1031 CB ASN A 60 7.965 4.612 -9.922 1.00 0.51 C ATOM 1032 CG ASN A 60 6.801 3.644 -10.166 1.00 41.00 C ATOM 1033 OD1 ASN A 60 6.289 3.011 -9.241 1.00 3.11 O ATOM 1034 ND2 ASN A 60 6.387 3.506 -11.422 1.00 73.41 N ATOM 0 H ASN A 60 6.943 3.965 -7.289 1.00 54.23 H new ATOM 0 HA ASN A 60 8.872 5.881 -8.418 1.00 63.41 H new ATOM 0 HB2 ASN A 60 7.957 5.372 -10.704 1.00 0.51 H new ATOM 0 HB3 ASN A 60 8.902 4.063 -10.020 1.00 0.51 H new ATOM 0 HD21 ASN A 60 5.626 2.863 -11.640 1.00 73.41 H new ATOM 0 HD22 ASN A 60 6.830 4.044 -12.167 1.00 73.41 H new ATOM 1041 N ASP A 61 7.092 7.575 -8.839 1.00 34.20 N ATOM 1042 CA ASP A 61 6.148 8.713 -8.845 1.00 74.03 C ATOM 1043 C ASP A 61 5.005 8.534 -9.867 1.00 4.24 C ATOM 1044 O ASP A 61 3.941 9.158 -9.723 1.00 14.02 O ATOM 1045 CB ASP A 61 6.913 10.027 -9.113 1.00 31.01 C ATOM 1046 CG ASP A 61 7.701 10.003 -10.433 1.00 63.35 C ATOM 1047 OD1 ASP A 61 8.807 9.426 -10.463 1.00 12.14 O ATOM 1048 OD2 ASP A 61 7.217 10.544 -11.446 1.00 32.33 O ATOM 0 H ASP A 61 8.027 7.834 -9.154 1.00 34.20 H new ATOM 0 HA ASP A 61 5.682 8.754 -7.860 1.00 74.03 H new ATOM 0 HB2 ASP A 61 6.205 10.856 -9.133 1.00 31.01 H new ATOM 0 HB3 ASP A 61 7.601 10.216 -8.289 1.00 31.01 H new ATOM 1053 N GLU A 62 5.251 7.714 -10.912 1.00 12.54 N ATOM 1054 CA GLU A 62 4.221 7.330 -11.897 1.00 5.13 C ATOM 1055 C GLU A 62 3.041 6.656 -11.180 1.00 75.21 C ATOM 1056 O GLU A 62 1.884 7.086 -11.308 1.00 21.31 O ATOM 1057 CB GLU A 62 4.822 6.383 -12.975 1.00 63.35 C ATOM 1058 CG GLU A 62 3.824 5.949 -14.070 1.00 73.31 C ATOM 1059 CD GLU A 62 4.469 5.155 -15.215 1.00 71.14 C ATOM 1060 OE1 GLU A 62 4.658 3.934 -15.069 1.00 31.30 O ATOM 1061 OE2 GLU A 62 4.773 5.741 -16.275 1.00 1.31 O ATOM 0 H GLU A 62 6.166 7.302 -11.094 1.00 12.54 H new ATOM 0 HA GLU A 62 3.861 8.227 -12.400 1.00 5.13 H new ATOM 0 HB2 GLU A 62 5.668 6.882 -13.448 1.00 63.35 H new ATOM 0 HB3 GLU A 62 5.212 5.492 -12.482 1.00 63.35 H new ATOM 0 HG2 GLU A 62 3.041 5.342 -13.615 1.00 73.31 H new ATOM 0 HG3 GLU A 62 3.342 6.836 -14.481 1.00 73.31 H new ATOM 1068 N GLU A 63 3.377 5.629 -10.377 1.00 44.11 N ATOM 1069 CA GLU A 63 2.416 4.854 -9.593 1.00 14.41 C ATOM 1070 C GLU A 63 1.885 5.639 -8.388 1.00 54.12 C ATOM 1071 O GLU A 63 0.822 5.312 -7.885 1.00 22.44 O ATOM 1072 CB GLU A 63 2.999 3.484 -9.175 1.00 71.33 C ATOM 1073 CG GLU A 63 3.265 2.535 -10.359 1.00 72.33 C ATOM 1074 CD GLU A 63 2.029 2.289 -11.248 1.00 14.34 C ATOM 1075 OE1 GLU A 63 1.091 1.600 -10.800 1.00 24.43 O ATOM 1076 OE2 GLU A 63 1.985 2.784 -12.401 1.00 74.43 O ATOM 0 H GLU A 63 4.340 5.315 -10.258 1.00 44.11 H new ATOM 0 HA GLU A 63 1.561 4.660 -10.240 1.00 14.41 H new ATOM 0 HB2 GLU A 63 3.932 3.646 -8.634 1.00 71.33 H new ATOM 0 HB3 GLU A 63 2.309 3.002 -8.483 1.00 71.33 H new ATOM 0 HG2 GLU A 63 4.065 2.949 -10.972 1.00 72.33 H new ATOM 0 HG3 GLU A 63 3.620 1.579 -9.974 1.00 72.33 H new ATOM 1083 N LEU A 64 2.671 6.610 -7.870 1.00 21.52 N ATOM 1084 CA LEU A 64 2.202 7.540 -6.814 1.00 54.53 C ATOM 1085 C LEU A 64 0.896 8.222 -7.250 1.00 20.35 C ATOM 1086 O LEU A 64 -0.153 8.042 -6.623 1.00 4.51 O ATOM 1087 CB LEU A 64 3.299 8.601 -6.513 1.00 41.15 C ATOM 1088 CG LEU A 64 2.955 9.702 -5.455 1.00 14.22 C ATOM 1089 CD1 LEU A 64 2.777 9.103 -4.047 1.00 2.43 C ATOM 1090 CD2 LEU A 64 4.015 10.825 -5.456 1.00 70.40 C ATOM 0 H LEU A 64 3.634 6.771 -8.166 1.00 21.52 H new ATOM 0 HA LEU A 64 2.007 6.974 -5.903 1.00 54.53 H new ATOM 0 HB2 LEU A 64 4.194 8.077 -6.177 1.00 41.15 H new ATOM 0 HB3 LEU A 64 3.554 9.099 -7.449 1.00 41.15 H new ATOM 0 HG LEU A 64 2.000 10.143 -5.742 1.00 14.22 H new ATOM 0 HD11 LEU A 64 2.539 9.898 -3.341 1.00 2.43 H new ATOM 0 HD12 LEU A 64 1.965 8.375 -4.061 1.00 2.43 H new ATOM 0 HD13 LEU A 64 3.700 8.611 -3.742 1.00 2.43 H new ATOM 0 HD21 LEU A 64 3.750 11.576 -4.711 1.00 70.40 H new ATOM 0 HD22 LEU A 64 4.991 10.404 -5.216 1.00 70.40 H new ATOM 0 HD23 LEU A 64 4.053 11.289 -6.442 1.00 70.40 H new ATOM 1102 N ASP A 65 0.990 8.946 -8.380 1.00 73.32 N ATOM 1103 CA ASP A 65 -0.130 9.688 -8.975 1.00 23.14 C ATOM 1104 C ASP A 65 -1.273 8.734 -9.371 1.00 54.24 C ATOM 1105 O ASP A 65 -2.445 8.987 -9.076 1.00 35.52 O ATOM 1106 CB ASP A 65 0.363 10.470 -10.220 1.00 63.35 C ATOM 1107 CG ASP A 65 -0.715 11.390 -10.805 1.00 64.04 C ATOM 1108 OD1 ASP A 65 -0.864 12.524 -10.311 1.00 51.03 O ATOM 1109 OD2 ASP A 65 -1.412 10.984 -11.755 1.00 13.23 O ATOM 0 H ASP A 65 1.857 9.032 -8.910 1.00 73.32 H new ATOM 0 HA ASP A 65 -0.513 10.390 -8.234 1.00 23.14 H new ATOM 0 HB2 ASP A 65 1.235 11.065 -9.949 1.00 63.35 H new ATOM 0 HB3 ASP A 65 0.685 9.763 -10.984 1.00 63.35 H new ATOM 1114 N LYS A 66 -0.869 7.614 -9.989 1.00 30.11 N ATOM 1115 CA LYS A 66 -1.772 6.606 -10.571 1.00 2.13 C ATOM 1116 C LYS A 66 -2.621 5.903 -9.495 1.00 35.13 C ATOM 1117 O LYS A 66 -3.829 5.729 -9.668 1.00 2.23 O ATOM 1118 CB LYS A 66 -0.910 5.596 -11.360 1.00 54.22 C ATOM 1119 CG LYS A 66 -1.678 4.477 -12.108 1.00 3.20 C ATOM 1120 CD LYS A 66 -1.059 4.178 -13.495 1.00 44.43 C ATOM 1121 CE LYS A 66 -1.406 2.782 -14.004 1.00 73.32 C ATOM 1122 NZ LYS A 66 -0.727 1.724 -13.204 1.00 24.20 N ATOM 0 H LYS A 66 0.117 7.377 -10.101 1.00 30.11 H new ATOM 0 HA LYS A 66 -2.482 7.094 -11.239 1.00 2.13 H new ATOM 0 HB2 LYS A 66 -0.315 6.148 -12.088 1.00 54.22 H new ATOM 0 HB3 LYS A 66 -0.211 5.127 -10.667 1.00 54.22 H new ATOM 0 HG2 LYS A 66 -1.674 3.569 -11.505 1.00 3.20 H new ATOM 0 HG3 LYS A 66 -2.720 4.772 -12.232 1.00 3.20 H new ATOM 0 HD2 LYS A 66 -1.409 4.920 -14.213 1.00 44.43 H new ATOM 0 HD3 LYS A 66 0.025 4.280 -13.435 1.00 44.43 H new ATOM 0 HE2 LYS A 66 -2.485 2.636 -13.961 1.00 73.32 H new ATOM 0 HE3 LYS A 66 -1.114 2.692 -15.050 1.00 73.32 H new ATOM 0 HZ1 LYS A 66 -0.772 0.820 -13.715 1.00 24.20 H new ATOM 0 HZ2 LYS A 66 0.268 1.988 -13.053 1.00 24.20 H new ATOM 0 HZ3 LYS A 66 -1.202 1.625 -12.284 1.00 24.20 H new ATOM 1136 N ALA A 67 -1.979 5.536 -8.374 1.00 52.33 N ATOM 1137 CA ALA A 67 -2.635 4.816 -7.269 1.00 65.35 C ATOM 1138 C ALA A 67 -3.549 5.744 -6.460 1.00 41.54 C ATOM 1139 O ALA A 67 -4.573 5.288 -5.947 1.00 70.51 O ATOM 1140 CB ALA A 67 -1.594 4.155 -6.365 1.00 12.15 C ATOM 0 H ALA A 67 -0.991 5.730 -8.208 1.00 52.33 H new ATOM 0 HA ALA A 67 -3.260 4.036 -7.704 1.00 65.35 H new ATOM 0 HB1 ALA A 67 -2.098 3.628 -5.555 1.00 12.15 H new ATOM 0 HB2 ALA A 67 -1.004 3.447 -6.947 1.00 12.15 H new ATOM 0 HB3 ALA A 67 -0.937 4.918 -5.948 1.00 12.15 H new ATOM 1146 N LYS A 68 -3.159 7.040 -6.339 1.00 11.05 N ATOM 1147 CA LYS A 68 -4.022 8.073 -5.722 1.00 34.11 C ATOM 1148 C LYS A 68 -5.305 8.240 -6.543 1.00 22.14 C ATOM 1149 O LYS A 68 -6.394 8.318 -5.977 1.00 72.03 O ATOM 1150 CB LYS A 68 -3.308 9.446 -5.604 1.00 14.45 C ATOM 1151 CG LYS A 68 -2.131 9.480 -4.609 1.00 41.34 C ATOM 1152 CD LYS A 68 -1.495 10.886 -4.459 1.00 54.52 C ATOM 1153 CE LYS A 68 -0.997 11.466 -5.797 1.00 42.24 C ATOM 1154 NZ LYS A 68 -0.314 12.773 -5.618 1.00 74.43 N ATOM 0 H LYS A 68 -2.256 7.390 -6.660 1.00 11.05 H new ATOM 0 HA LYS A 68 -4.258 7.733 -4.714 1.00 34.11 H new ATOM 0 HB2 LYS A 68 -2.941 9.735 -6.589 1.00 14.45 H new ATOM 0 HB3 LYS A 68 -4.040 10.196 -5.304 1.00 14.45 H new ATOM 0 HG2 LYS A 68 -2.479 9.140 -3.633 1.00 41.34 H new ATOM 0 HG3 LYS A 68 -1.366 8.776 -4.937 1.00 41.34 H new ATOM 0 HD2 LYS A 68 -2.228 11.566 -4.025 1.00 54.52 H new ATOM 0 HD3 LYS A 68 -0.660 10.829 -3.761 1.00 54.52 H new ATOM 0 HE2 LYS A 68 -0.311 10.760 -6.265 1.00 42.24 H new ATOM 0 HE3 LYS A 68 -1.841 11.588 -6.476 1.00 42.24 H new ATOM 0 HZ1 LYS A 68 0.005 13.127 -6.542 1.00 74.43 H new ATOM 0 HZ2 LYS A 68 -0.975 13.455 -5.195 1.00 74.43 H new ATOM 0 HZ3 LYS A 68 0.507 12.653 -4.991 1.00 74.43 H new ATOM 1168 N GLU A 69 -5.154 8.283 -7.878 1.00 40.54 N ATOM 1169 CA GLU A 69 -6.286 8.451 -8.795 1.00 15.24 C ATOM 1170 C GLU A 69 -7.264 7.282 -8.665 1.00 14.21 C ATOM 1171 O GLU A 69 -8.436 7.506 -8.357 1.00 33.21 O ATOM 1172 CB GLU A 69 -5.802 8.628 -10.258 1.00 22.23 C ATOM 1173 CG GLU A 69 -5.240 10.032 -10.564 1.00 23.34 C ATOM 1174 CD GLU A 69 -6.255 11.162 -10.268 1.00 72.43 C ATOM 1175 OE1 GLU A 69 -7.240 11.311 -11.028 1.00 31.43 O ATOM 1176 OE2 GLU A 69 -6.086 11.889 -9.260 1.00 12.24 O ATOM 0 H GLU A 69 -4.251 8.203 -8.345 1.00 40.54 H new ATOM 0 HA GLU A 69 -6.816 9.362 -8.517 1.00 15.24 H new ATOM 0 HB2 GLU A 69 -5.032 7.885 -10.468 1.00 22.23 H new ATOM 0 HB3 GLU A 69 -6.634 8.425 -10.933 1.00 22.23 H new ATOM 0 HG2 GLU A 69 -4.339 10.195 -9.972 1.00 23.34 H new ATOM 0 HG3 GLU A 69 -4.945 10.080 -11.612 1.00 23.34 H new ATOM 1183 N LEU A 70 -6.744 6.041 -8.812 1.00 54.15 N ATOM 1184 CA LEU A 70 -7.559 4.808 -8.777 1.00 42.32 C ATOM 1185 C LEU A 70 -8.310 4.700 -7.435 1.00 75.31 C ATOM 1186 O LEU A 70 -9.491 4.368 -7.413 1.00 34.42 O ATOM 1187 CB LEU A 70 -6.671 3.550 -9.022 1.00 71.00 C ATOM 1188 CG LEU A 70 -6.025 3.431 -10.443 1.00 52.25 C ATOM 1189 CD1 LEU A 70 -5.078 2.211 -10.535 1.00 0.33 C ATOM 1190 CD2 LEU A 70 -7.105 3.380 -11.544 1.00 21.34 C ATOM 0 H LEU A 70 -5.749 5.868 -8.958 1.00 54.15 H new ATOM 0 HA LEU A 70 -8.296 4.858 -9.579 1.00 42.32 H new ATOM 0 HB2 LEU A 70 -5.872 3.544 -8.280 1.00 71.00 H new ATOM 0 HB3 LEU A 70 -7.278 2.662 -8.845 1.00 71.00 H new ATOM 0 HG LEU A 70 -5.424 4.326 -10.605 1.00 52.25 H new ATOM 0 HD11 LEU A 70 -4.647 2.159 -11.535 1.00 0.33 H new ATOM 0 HD12 LEU A 70 -4.279 2.314 -9.801 1.00 0.33 H new ATOM 0 HD13 LEU A 70 -5.640 1.299 -10.334 1.00 0.33 H new ATOM 0 HD21 LEU A 70 -6.626 3.297 -12.520 1.00 21.34 H new ATOM 0 HD22 LEU A 70 -7.750 2.516 -11.382 1.00 21.34 H new ATOM 0 HD23 LEU A 70 -7.703 4.291 -11.509 1.00 21.34 H new ATOM 1202 N ALA A 71 -7.607 5.042 -6.338 1.00 53.13 N ATOM 1203 CA ALA A 71 -8.161 5.056 -4.970 1.00 10.15 C ATOM 1204 C ALA A 71 -9.365 6.008 -4.828 1.00 41.24 C ATOM 1205 O ALA A 71 -10.389 5.644 -4.230 1.00 33.32 O ATOM 1206 CB ALA A 71 -7.056 5.459 -3.996 1.00 0.53 C ATOM 0 H ALA A 71 -6.626 5.320 -6.377 1.00 53.13 H new ATOM 0 HA ALA A 71 -8.526 4.054 -4.744 1.00 10.15 H new ATOM 0 HB1 ALA A 71 -7.453 5.473 -2.981 1.00 0.53 H new ATOM 0 HB2 ALA A 71 -6.238 4.741 -4.056 1.00 0.53 H new ATOM 0 HB3 ALA A 71 -6.687 6.451 -4.255 1.00 0.53 H new ATOM 1212 N GLN A 72 -9.217 7.222 -5.395 1.00 11.35 N ATOM 1213 CA GLN A 72 -10.263 8.261 -5.374 1.00 74.44 C ATOM 1214 C GLN A 72 -11.500 7.818 -6.178 1.00 32.41 C ATOM 1215 O GLN A 72 -12.629 8.127 -5.786 1.00 24.22 O ATOM 1216 CB GLN A 72 -9.707 9.607 -5.920 1.00 63.34 C ATOM 1217 CG GLN A 72 -8.643 10.276 -5.025 1.00 31.54 C ATOM 1218 CD GLN A 72 -8.076 11.560 -5.645 1.00 10.01 C ATOM 1219 OE1 GLN A 72 -8.576 12.664 -5.406 1.00 23.51 O ATOM 1220 NE2 GLN A 72 -7.032 11.423 -6.453 1.00 1.22 N ATOM 0 H GLN A 72 -8.367 7.509 -5.881 1.00 11.35 H new ATOM 0 HA GLN A 72 -10.571 8.409 -4.339 1.00 74.44 H new ATOM 0 HB2 GLN A 72 -9.276 9.433 -6.906 1.00 63.34 H new ATOM 0 HB3 GLN A 72 -10.538 10.300 -6.053 1.00 63.34 H new ATOM 0 HG2 GLN A 72 -9.083 10.508 -4.055 1.00 31.54 H new ATOM 0 HG3 GLN A 72 -7.829 9.573 -4.846 1.00 31.54 H new ATOM 0 HE21 GLN A 72 -6.642 10.497 -6.630 1.00 1.22 H new ATOM 0 HE22 GLN A 72 -6.619 12.244 -6.897 1.00 1.22 H new ATOM 1229 N LYS A 73 -11.277 7.060 -7.282 1.00 12.10 N ATOM 1230 CA LYS A 73 -12.380 6.528 -8.121 1.00 42.53 C ATOM 1231 C LYS A 73 -13.243 5.544 -7.297 1.00 2.34 C ATOM 1232 O LYS A 73 -14.466 5.483 -7.453 1.00 34.23 O ATOM 1233 CB LYS A 73 -11.854 5.804 -9.407 1.00 45.21 C ATOM 1234 CG LYS A 73 -10.725 6.517 -10.189 1.00 43.24 C ATOM 1235 CD LYS A 73 -11.006 8.002 -10.547 1.00 54.05 C ATOM 1236 CE LYS A 73 -9.786 8.678 -11.219 1.00 42.31 C ATOM 1237 NZ LYS A 73 -10.030 10.111 -11.533 1.00 74.04 N ATOM 0 H LYS A 73 -10.346 6.804 -7.611 1.00 12.10 H new ATOM 0 HA LYS A 73 -12.980 7.380 -8.440 1.00 42.53 H new ATOM 0 HB2 LYS A 73 -11.498 4.815 -9.120 1.00 45.21 H new ATOM 0 HB3 LYS A 73 -12.696 5.656 -10.083 1.00 45.21 H new ATOM 0 HG2 LYS A 73 -9.810 6.469 -9.599 1.00 43.24 H new ATOM 0 HG3 LYS A 73 -10.539 5.966 -11.111 1.00 43.24 H new ATOM 0 HD2 LYS A 73 -11.865 8.057 -11.216 1.00 54.05 H new ATOM 0 HD3 LYS A 73 -11.271 8.549 -9.642 1.00 54.05 H new ATOM 0 HE2 LYS A 73 -8.921 8.596 -10.561 1.00 42.31 H new ATOM 0 HE3 LYS A 73 -9.540 8.145 -12.137 1.00 42.31 H new ATOM 0 HZ1 LYS A 73 -9.149 10.649 -11.408 1.00 74.04 H new ATOM 0 HZ2 LYS A 73 -10.353 10.201 -12.517 1.00 74.04 H new ATOM 0 HZ3 LYS A 73 -10.759 10.487 -10.894 1.00 74.04 H new ATOM 1251 N MET A 74 -12.566 4.798 -6.398 1.00 21.42 N ATOM 1252 CA MET A 74 -13.198 3.794 -5.517 1.00 1.34 C ATOM 1253 C MET A 74 -13.852 4.460 -4.287 1.00 43.35 C ATOM 1254 O MET A 74 -14.575 3.797 -3.537 1.00 71.11 O ATOM 1255 CB MET A 74 -12.150 2.768 -5.023 1.00 63.42 C ATOM 1256 CG MET A 74 -11.278 2.149 -6.100 1.00 32.41 C ATOM 1257 SD MET A 74 -12.179 1.178 -7.315 1.00 11.24 S ATOM 1258 CE MET A 74 -10.799 0.535 -8.262 1.00 71.33 C ATOM 0 H MET A 74 -11.558 4.877 -6.263 1.00 21.42 H new ATOM 0 HA MET A 74 -13.966 3.289 -6.103 1.00 1.34 H new ATOM 0 HB2 MET A 74 -11.504 3.258 -4.295 1.00 63.42 H new ATOM 0 HB3 MET A 74 -12.671 1.967 -4.498 1.00 63.42 H new ATOM 0 HG2 MET A 74 -10.738 2.944 -6.615 1.00 32.41 H new ATOM 0 HG3 MET A 74 -10.531 1.513 -5.625 1.00 32.41 H new ATOM 0 HE1 MET A 74 -11.167 0.100 -9.191 1.00 71.33 H new ATOM 0 HE2 MET A 74 -10.105 1.344 -8.489 1.00 71.33 H new ATOM 0 HE3 MET A 74 -10.285 -0.231 -7.682 1.00 71.33 H new ATOM 1268 N GLU A 75 -13.539 5.760 -4.077 1.00 52.43 N ATOM 1269 CA GLU A 75 -14.026 6.567 -2.934 1.00 25.35 C ATOM 1270 C GLU A 75 -13.520 6.028 -1.571 1.00 13.14 C ATOM 1271 O GLU A 75 -14.061 6.391 -0.521 1.00 25.13 O ATOM 1272 CB GLU A 75 -15.581 6.658 -2.956 1.00 63.34 C ATOM 1273 CG GLU A 75 -16.165 7.212 -4.272 1.00 44.21 C ATOM 1274 CD GLU A 75 -17.698 7.184 -4.311 1.00 54.41 C ATOM 1275 OE1 GLU A 75 -18.274 6.088 -4.449 1.00 31.51 O ATOM 1276 OE2 GLU A 75 -18.336 8.254 -4.190 1.00 63.21 O ATOM 0 H GLU A 75 -12.932 6.285 -4.706 1.00 52.43 H new ATOM 0 HA GLU A 75 -13.613 7.570 -3.046 1.00 25.35 H new ATOM 0 HB2 GLU A 75 -15.994 5.665 -2.778 1.00 63.34 H new ATOM 0 HB3 GLU A 75 -15.908 7.292 -2.132 1.00 63.34 H new ATOM 0 HG2 GLU A 75 -15.823 8.238 -4.410 1.00 44.21 H new ATOM 0 HG3 GLU A 75 -15.776 6.631 -5.108 1.00 44.21 H new ATOM 1283 N ILE A 76 -12.458 5.194 -1.593 1.00 74.35 N ATOM 1284 CA ILE A 76 -11.874 4.589 -0.375 1.00 2.02 C ATOM 1285 C ILE A 76 -10.844 5.560 0.236 1.00 4.53 C ATOM 1286 O ILE A 76 -10.122 6.245 -0.504 1.00 65.14 O ATOM 1287 CB ILE A 76 -11.168 3.209 -0.683 1.00 25.12 C ATOM 1288 CG1 ILE A 76 -12.133 2.231 -1.417 1.00 14.11 C ATOM 1289 CG2 ILE A 76 -10.631 2.545 0.613 1.00 53.21 C ATOM 1290 CD1 ILE A 76 -11.469 0.949 -1.897 1.00 54.43 C ATOM 0 H ILE A 76 -11.982 4.921 -2.453 1.00 74.35 H new ATOM 0 HA ILE A 76 -12.687 4.402 0.327 1.00 2.02 H new ATOM 0 HB ILE A 76 -10.324 3.423 -1.338 1.00 25.12 H new ATOM 0 HG12 ILE A 76 -12.953 1.974 -0.746 1.00 14.11 H new ATOM 0 HG13 ILE A 76 -12.571 2.744 -2.273 1.00 14.11 H new ATOM 0 HG21 ILE A 76 -10.152 1.598 0.365 1.00 53.21 H new ATOM 0 HG22 ILE A 76 -9.905 3.206 1.087 1.00 53.21 H new ATOM 0 HG23 ILE A 76 -11.459 2.364 1.299 1.00 53.21 H new ATOM 0 HD11 ILE A 76 -12.207 0.322 -2.397 1.00 54.43 H new ATOM 0 HD12 ILE A 76 -10.668 1.193 -2.595 1.00 54.43 H new ATOM 0 HD13 ILE A 76 -11.056 0.412 -1.043 1.00 54.43 H new ATOM 1302 N ASP A 77 -10.790 5.616 1.577 1.00 21.10 N ATOM 1303 CA ASP A 77 -9.782 6.399 2.304 1.00 3.40 C ATOM 1304 C ASP A 77 -8.403 5.721 2.168 1.00 44.31 C ATOM 1305 O ASP A 77 -8.128 4.704 2.812 1.00 53.10 O ATOM 1306 CB ASP A 77 -10.188 6.553 3.789 1.00 14.14 C ATOM 1307 CG ASP A 77 -9.127 7.286 4.634 1.00 62.24 C ATOM 1308 OD1 ASP A 77 -8.985 8.521 4.500 1.00 54.35 O ATOM 1309 OD2 ASP A 77 -8.424 6.639 5.425 1.00 74.22 O ATOM 0 H ASP A 77 -11.443 5.121 2.184 1.00 21.10 H new ATOM 0 HA ASP A 77 -9.719 7.398 1.873 1.00 3.40 H new ATOM 0 HB2 ASP A 77 -11.130 7.098 3.847 1.00 14.14 H new ATOM 0 HB3 ASP A 77 -10.364 5.565 4.215 1.00 14.14 H new ATOM 1314 N VAL A 78 -7.567 6.269 1.270 1.00 1.02 N ATOM 1315 CA VAL A 78 -6.250 5.706 0.930 1.00 2.15 C ATOM 1316 C VAL A 78 -5.172 6.806 0.997 1.00 42.34 C ATOM 1317 O VAL A 78 -5.427 7.961 0.643 1.00 52.25 O ATOM 1318 CB VAL A 78 -6.251 5.068 -0.510 1.00 31.51 C ATOM 1319 CG1 VAL A 78 -4.880 4.454 -0.864 1.00 3.04 C ATOM 1320 CG2 VAL A 78 -7.377 4.016 -0.683 1.00 63.10 C ATOM 0 H VAL A 78 -7.788 7.122 0.756 1.00 1.02 H new ATOM 0 HA VAL A 78 -6.028 4.923 1.655 1.00 2.15 H new ATOM 0 HB VAL A 78 -6.449 5.883 -1.206 1.00 31.51 H new ATOM 0 HG11 VAL A 78 -4.921 4.024 -1.865 1.00 3.04 H new ATOM 0 HG12 VAL A 78 -4.115 5.230 -0.834 1.00 3.04 H new ATOM 0 HG13 VAL A 78 -4.634 3.674 -0.144 1.00 3.04 H new ATOM 0 HG21 VAL A 78 -7.338 3.604 -1.691 1.00 63.10 H new ATOM 0 HG22 VAL A 78 -7.240 3.214 0.042 1.00 63.10 H new ATOM 0 HG23 VAL A 78 -8.345 4.490 -0.522 1.00 63.10 H new ATOM 1330 N ARG A 79 -3.969 6.427 1.459 1.00 61.34 N ATOM 1331 CA ARG A 79 -2.788 7.297 1.519 1.00 22.01 C ATOM 1332 C ARG A 79 -1.690 6.622 0.706 1.00 72.14 C ATOM 1333 O ARG A 79 -1.352 5.472 0.972 1.00 3.25 O ATOM 1334 CB ARG A 79 -2.311 7.523 2.989 1.00 12.53 C ATOM 1335 CG ARG A 79 -3.413 8.024 3.958 1.00 64.33 C ATOM 1336 CD ARG A 79 -4.276 6.883 4.560 1.00 44.41 C ATOM 1337 NE ARG A 79 -5.481 7.377 5.244 1.00 54.52 N ATOM 1338 CZ ARG A 79 -5.502 8.115 6.359 1.00 2.44 C ATOM 1339 NH1 ARG A 79 -4.381 8.493 6.978 1.00 54.11 N ATOM 1340 NH2 ARG A 79 -6.671 8.442 6.877 1.00 45.14 N ATOM 0 H ARG A 79 -3.789 5.486 1.808 1.00 61.34 H new ATOM 0 HA ARG A 79 -3.032 8.279 1.115 1.00 22.01 H new ATOM 0 HB2 ARG A 79 -1.907 6.587 3.373 1.00 12.53 H new ATOM 0 HB3 ARG A 79 -1.494 8.245 2.985 1.00 12.53 H new ATOM 0 HG2 ARG A 79 -2.946 8.582 4.770 1.00 64.33 H new ATOM 0 HG3 ARG A 79 -4.064 8.719 3.427 1.00 64.33 H new ATOM 0 HD2 ARG A 79 -4.571 6.199 3.764 1.00 44.41 H new ATOM 0 HD3 ARG A 79 -3.673 6.311 5.265 1.00 44.41 H new ATOM 0 HE ARG A 79 -6.382 7.135 4.831 1.00 54.52 H new ATOM 0 HH11 ARG A 79 -3.473 8.219 6.602 1.00 54.11 H new ATOM 0 HH12 ARG A 79 -4.432 9.056 7.827 1.00 54.11 H new ATOM 0 HH21 ARG A 79 -7.533 8.132 6.427 1.00 45.14 H new ATOM 0 HH22 ARG A 79 -6.713 9.004 7.727 1.00 45.14 H new ATOM 1354 N THR A 80 -1.150 7.323 -0.289 1.00 61.12 N ATOM 1355 CA THR A 80 -0.109 6.779 -1.170 1.00 1.53 C ATOM 1356 C THR A 80 1.211 7.528 -0.911 1.00 61.23 C ATOM 1357 O THR A 80 1.259 8.760 -0.984 1.00 74.31 O ATOM 1358 CB THR A 80 -0.531 6.885 -2.670 1.00 75.20 C ATOM 1359 OG1 THR A 80 -1.845 6.319 -2.848 1.00 54.52 O ATOM 1360 CG2 THR A 80 0.462 6.170 -3.608 1.00 45.22 C ATOM 0 H THR A 80 -1.418 8.282 -0.510 1.00 61.12 H new ATOM 0 HA THR A 80 0.030 5.721 -0.950 1.00 1.53 H new ATOM 0 HB THR A 80 -0.534 7.943 -2.932 1.00 75.20 H new ATOM 0 HG1 THR A 80 -2.107 6.389 -3.790 1.00 54.52 H new ATOM 0 HG21 THR A 80 0.125 6.272 -4.640 1.00 45.22 H new ATOM 0 HG22 THR A 80 1.450 6.619 -3.503 1.00 45.22 H new ATOM 0 HG23 THR A 80 0.514 5.113 -3.346 1.00 45.22 H new ATOM 1368 N ARG A 81 2.268 6.770 -0.581 1.00 21.34 N ATOM 1369 CA ARG A 81 3.605 7.302 -0.272 1.00 22.13 C ATOM 1370 C ARG A 81 4.596 6.821 -1.332 1.00 62.31 C ATOM 1371 O ARG A 81 4.627 5.624 -1.635 1.00 73.23 O ATOM 1372 CB ARG A 81 4.080 6.790 1.115 1.00 54.32 C ATOM 1373 CG ARG A 81 3.116 7.059 2.288 1.00 44.10 C ATOM 1374 CD ARG A 81 2.927 8.552 2.589 1.00 22.00 C ATOM 1375 NE ARG A 81 2.187 8.748 3.846 1.00 44.31 N ATOM 1376 CZ ARG A 81 1.596 9.888 4.232 1.00 13.03 C ATOM 1377 NH1 ARG A 81 1.629 10.977 3.462 1.00 1.01 N ATOM 1378 NH2 ARG A 81 0.982 9.929 5.404 1.00 14.24 N ATOM 0 H ARG A 81 2.217 5.753 -0.520 1.00 21.34 H new ATOM 0 HA ARG A 81 3.556 8.391 -0.261 1.00 22.13 H new ATOM 0 HB2 ARG A 81 4.251 5.716 1.047 1.00 54.32 H new ATOM 0 HB3 ARG A 81 5.041 7.252 1.344 1.00 54.32 H new ATOM 0 HG2 ARG A 81 2.146 6.616 2.061 1.00 44.10 H new ATOM 0 HG3 ARG A 81 3.493 6.560 3.181 1.00 44.10 H new ATOM 0 HD2 ARG A 81 3.900 9.039 2.656 1.00 22.00 H new ATOM 0 HD3 ARG A 81 2.389 9.027 1.768 1.00 22.00 H new ATOM 0 HE ARG A 81 2.118 7.949 4.477 1.00 44.31 H new ATOM 0 HH11 ARG A 81 2.110 10.951 2.563 1.00 1.01 H new ATOM 0 HH12 ARG A 81 1.174 11.835 3.773 1.00 1.01 H new ATOM 0 HH21 ARG A 81 0.963 9.101 5.999 1.00 14.24 H new ATOM 0 HH22 ARG A 81 0.528 10.789 5.712 1.00 14.24 H new ATOM 1392 N LYS A 82 5.399 7.734 -1.893 1.00 71.51 N ATOM 1393 CA LYS A 82 6.518 7.352 -2.758 1.00 21.25 C ATOM 1394 C LYS A 82 7.748 7.105 -1.875 1.00 42.13 C ATOM 1395 O LYS A 82 8.218 8.013 -1.176 1.00 61.02 O ATOM 1396 CB LYS A 82 6.825 8.429 -3.827 1.00 21.54 C ATOM 1397 CG LYS A 82 7.885 7.982 -4.868 1.00 30.24 C ATOM 1398 CD LYS A 82 8.356 9.129 -5.781 1.00 74.12 C ATOM 1399 CE LYS A 82 9.125 10.218 -5.016 1.00 11.41 C ATOM 1400 NZ LYS A 82 9.598 11.302 -5.914 1.00 74.50 N ATOM 0 H LYS A 82 5.293 8.740 -1.763 1.00 71.51 H new ATOM 0 HA LYS A 82 6.249 6.445 -3.300 1.00 21.25 H new ATOM 0 HB2 LYS A 82 5.902 8.687 -4.347 1.00 21.54 H new ATOM 0 HB3 LYS A 82 7.174 9.334 -3.330 1.00 21.54 H new ATOM 0 HG2 LYS A 82 8.746 7.565 -4.345 1.00 30.24 H new ATOM 0 HG3 LYS A 82 7.468 7.184 -5.483 1.00 30.24 H new ATOM 0 HD2 LYS A 82 8.993 8.724 -6.567 1.00 74.12 H new ATOM 0 HD3 LYS A 82 7.491 9.577 -6.271 1.00 74.12 H new ATOM 0 HE2 LYS A 82 8.482 10.641 -4.245 1.00 11.41 H new ATOM 0 HE3 LYS A 82 9.979 9.770 -4.508 1.00 11.41 H new ATOM 0 HZ1 LYS A 82 10.111 12.015 -5.357 1.00 74.50 H new ATOM 0 HZ2 LYS A 82 10.232 10.903 -6.635 1.00 74.50 H new ATOM 0 HZ3 LYS A 82 8.782 11.748 -6.379 1.00 74.50 H new ATOM 1414 N VAL A 83 8.229 5.861 -1.879 1.00 15.33 N ATOM 1415 CA VAL A 83 9.396 5.433 -1.105 1.00 62.11 C ATOM 1416 C VAL A 83 10.576 5.145 -2.051 1.00 61.34 C ATOM 1417 O VAL A 83 10.408 4.547 -3.124 1.00 64.31 O ATOM 1418 CB VAL A 83 9.052 4.181 -0.208 1.00 15.15 C ATOM 1419 CG1 VAL A 83 7.891 4.515 0.762 1.00 41.45 C ATOM 1420 CG2 VAL A 83 8.725 2.918 -1.048 1.00 62.33 C ATOM 0 H VAL A 83 7.812 5.110 -2.429 1.00 15.33 H new ATOM 0 HA VAL A 83 9.687 6.239 -0.432 1.00 62.11 H new ATOM 0 HB VAL A 83 9.944 3.947 0.373 1.00 15.15 H new ATOM 0 HG11 VAL A 83 7.665 3.642 1.374 1.00 41.45 H new ATOM 0 HG12 VAL A 83 8.183 5.344 1.407 1.00 41.45 H new ATOM 0 HG13 VAL A 83 7.007 4.795 0.189 1.00 41.45 H new ATOM 0 HG21 VAL A 83 8.496 2.087 -0.381 1.00 62.33 H new ATOM 0 HG22 VAL A 83 7.865 3.119 -1.687 1.00 62.33 H new ATOM 0 HG23 VAL A 83 9.584 2.660 -1.667 1.00 62.33 H new ATOM 1430 N THR A 84 11.758 5.633 -1.663 1.00 14.43 N ATOM 1431 CA THR A 84 13.016 5.396 -2.386 1.00 34.44 C ATOM 1432 C THR A 84 13.753 4.186 -1.783 1.00 0.13 C ATOM 1433 O THR A 84 14.492 3.480 -2.479 1.00 42.24 O ATOM 1434 CB THR A 84 13.925 6.667 -2.305 1.00 13.13 C ATOM 1435 OG1 THR A 84 14.131 7.013 -0.924 1.00 32.23 O ATOM 1436 CG2 THR A 84 13.306 7.869 -3.049 1.00 32.44 C ATOM 0 H THR A 84 11.872 6.210 -0.830 1.00 14.43 H new ATOM 0 HA THR A 84 12.788 5.186 -3.431 1.00 34.44 H new ATOM 0 HB THR A 84 14.874 6.433 -2.787 1.00 13.13 H new ATOM 0 HG1 THR A 84 14.701 7.808 -0.867 1.00 32.23 H new ATOM 0 HG21 THR A 84 13.970 8.729 -2.967 1.00 32.44 H new ATOM 0 HG22 THR A 84 13.169 7.615 -4.100 1.00 32.44 H new ATOM 0 HG23 THR A 84 12.340 8.113 -2.606 1.00 32.44 H new ATOM 1444 N SER A 85 13.522 3.949 -0.480 1.00 61.44 N ATOM 1445 CA SER A 85 14.243 2.942 0.311 1.00 63.12 C ATOM 1446 C SER A 85 13.235 2.047 1.072 1.00 31.24 C ATOM 1447 O SER A 85 12.113 2.496 1.357 1.00 50.44 O ATOM 1448 CB SER A 85 15.187 3.674 1.300 1.00 71.21 C ATOM 1449 OG SER A 85 16.006 4.626 0.634 1.00 65.21 O ATOM 0 H SER A 85 12.821 4.458 0.058 1.00 61.44 H new ATOM 0 HA SER A 85 14.833 2.301 -0.344 1.00 63.12 H new ATOM 0 HB2 SER A 85 14.595 4.175 2.066 1.00 71.21 H new ATOM 0 HB3 SER A 85 15.817 2.945 1.810 1.00 71.21 H new ATOM 0 HG SER A 85 16.587 5.070 1.286 1.00 65.21 H new ATOM 1455 N PRO A 86 13.595 0.748 1.362 1.00 2.30 N ATOM 1456 CA PRO A 86 12.769 -0.153 2.199 1.00 22.53 C ATOM 1457 C PRO A 86 12.399 0.456 3.560 1.00 24.45 C ATOM 1458 O PRO A 86 11.243 0.384 3.954 1.00 4.42 O ATOM 1459 CB PRO A 86 13.627 -1.447 2.354 1.00 2.32 C ATOM 1460 CG PRO A 86 14.981 -1.104 1.804 1.00 73.22 C ATOM 1461 CD PRO A 86 14.777 0.030 0.822 1.00 43.22 C ATOM 0 HA PRO A 86 11.804 -0.348 1.731 1.00 22.53 H new ATOM 0 HB2 PRO A 86 13.694 -1.750 3.399 1.00 2.32 H new ATOM 0 HB3 PRO A 86 13.182 -2.280 1.809 1.00 2.32 H new ATOM 0 HG2 PRO A 86 15.659 -0.806 2.604 1.00 73.22 H new ATOM 0 HG3 PRO A 86 15.429 -1.967 1.311 1.00 73.22 H new ATOM 0 HD2 PRO A 86 15.652 0.679 0.771 1.00 43.22 H new ATOM 0 HD3 PRO A 86 14.595 -0.341 -0.187 1.00 43.22 H new ATOM 1469 N ASP A 87 13.374 1.111 4.229 1.00 74.31 N ATOM 1470 CA ASP A 87 13.176 1.665 5.593 1.00 42.33 C ATOM 1471 C ASP A 87 12.146 2.807 5.604 1.00 31.24 C ATOM 1472 O ASP A 87 11.507 3.058 6.633 1.00 74.44 O ATOM 1473 CB ASP A 87 14.519 2.128 6.227 1.00 35.23 C ATOM 1474 CG ASP A 87 15.470 0.977 6.598 1.00 24.15 C ATOM 1475 OD1 ASP A 87 14.998 -0.071 7.081 1.00 70.35 O ATOM 1476 OD2 ASP A 87 16.693 1.113 6.414 1.00 74.22 O ATOM 0 H ASP A 87 14.307 1.270 3.849 1.00 74.31 H new ATOM 0 HA ASP A 87 12.779 0.855 6.204 1.00 42.33 H new ATOM 0 HB2 ASP A 87 15.027 2.794 5.529 1.00 35.23 H new ATOM 0 HB3 ASP A 87 14.303 2.710 7.123 1.00 35.23 H new ATOM 1481 N GLU A 88 11.990 3.489 4.452 1.00 53.00 N ATOM 1482 CA GLU A 88 10.939 4.502 4.260 1.00 44.22 C ATOM 1483 C GLU A 88 9.565 3.815 4.309 1.00 14.04 C ATOM 1484 O GLU A 88 8.686 4.223 5.069 1.00 25.53 O ATOM 1485 CB GLU A 88 11.141 5.240 2.909 1.00 52.30 C ATOM 1486 CG GLU A 88 12.517 5.919 2.738 1.00 73.01 C ATOM 1487 CD GLU A 88 12.776 7.089 3.715 1.00 0.44 C ATOM 1488 OE1 GLU A 88 13.229 6.847 4.857 1.00 70.31 O ATOM 1489 OE2 GLU A 88 12.527 8.260 3.346 1.00 21.10 O ATOM 0 H GLU A 88 12.586 3.353 3.635 1.00 53.00 H new ATOM 0 HA GLU A 88 10.995 5.244 5.056 1.00 44.22 H new ATOM 0 HB2 GLU A 88 11.001 4.526 2.097 1.00 52.30 H new ATOM 0 HB3 GLU A 88 10.363 5.997 2.805 1.00 52.30 H new ATOM 0 HG2 GLU A 88 13.298 5.170 2.872 1.00 73.01 H new ATOM 0 HG3 GLU A 88 12.602 6.289 1.716 1.00 73.01 H new ATOM 1496 N ALA A 89 9.438 2.715 3.536 1.00 54.40 N ATOM 1497 CA ALA A 89 8.189 1.941 3.418 1.00 31.20 C ATOM 1498 C ALA A 89 7.792 1.320 4.765 1.00 34.14 C ATOM 1499 O ALA A 89 6.632 1.400 5.173 1.00 75.23 O ATOM 1500 CB ALA A 89 8.334 0.857 2.338 1.00 45.24 C ATOM 0 H ALA A 89 10.203 2.340 2.975 1.00 54.40 H new ATOM 0 HA ALA A 89 7.392 2.623 3.121 1.00 31.20 H new ATOM 0 HB1 ALA A 89 7.404 0.293 2.261 1.00 45.24 H new ATOM 0 HB2 ALA A 89 8.554 1.326 1.379 1.00 45.24 H new ATOM 0 HB3 ALA A 89 9.147 0.182 2.607 1.00 45.24 H new ATOM 1506 N LYS A 90 8.793 0.749 5.462 1.00 31.23 N ATOM 1507 CA LYS A 90 8.621 0.080 6.761 1.00 52.24 C ATOM 1508 C LYS A 90 8.176 1.084 7.832 1.00 13.44 C ATOM 1509 O LYS A 90 7.365 0.750 8.699 1.00 21.41 O ATOM 1510 CB LYS A 90 9.961 -0.569 7.184 1.00 73.45 C ATOM 1511 CG LYS A 90 10.492 -1.647 6.210 1.00 71.10 C ATOM 1512 CD LYS A 90 12.008 -1.915 6.395 1.00 23.24 C ATOM 1513 CE LYS A 90 12.377 -2.495 7.767 1.00 4.23 C ATOM 1514 NZ LYS A 90 13.842 -2.722 7.879 1.00 51.13 N ATOM 0 H LYS A 90 9.758 0.741 5.131 1.00 31.23 H new ATOM 0 HA LYS A 90 7.852 -0.686 6.663 1.00 52.24 H new ATOM 0 HB2 LYS A 90 10.713 0.214 7.283 1.00 73.45 H new ATOM 0 HB3 LYS A 90 9.837 -1.018 8.169 1.00 73.45 H new ATOM 0 HG2 LYS A 90 9.940 -2.575 6.363 1.00 71.10 H new ATOM 0 HG3 LYS A 90 10.304 -1.330 5.184 1.00 71.10 H new ATOM 0 HD2 LYS A 90 12.342 -2.604 5.619 1.00 23.24 H new ATOM 0 HD3 LYS A 90 12.552 -0.982 6.248 1.00 23.24 H new ATOM 0 HE2 LYS A 90 12.051 -1.813 8.552 1.00 4.23 H new ATOM 0 HE3 LYS A 90 11.848 -3.435 7.921 1.00 4.23 H new ATOM 0 HZ1 LYS A 90 14.047 -3.237 8.759 1.00 51.13 H new ATOM 0 HZ2 LYS A 90 14.170 -3.281 7.066 1.00 51.13 H new ATOM 0 HZ3 LYS A 90 14.335 -1.806 7.891 1.00 51.13 H new ATOM 1528 N ARG A 91 8.754 2.310 7.763 1.00 5.32 N ATOM 1529 CA ARG A 91 8.421 3.387 8.692 1.00 34.45 C ATOM 1530 C ARG A 91 6.961 3.801 8.526 1.00 4.11 C ATOM 1531 O ARG A 91 6.236 3.850 9.508 1.00 13.31 O ATOM 1532 CB ARG A 91 9.331 4.628 8.519 1.00 54.11 C ATOM 1533 CG ARG A 91 8.992 5.761 9.520 1.00 44.11 C ATOM 1534 CD ARG A 91 9.894 6.990 9.409 1.00 72.32 C ATOM 1535 NE ARG A 91 9.574 7.981 10.454 1.00 10.22 N ATOM 1536 CZ ARG A 91 9.994 7.920 11.731 1.00 41.24 C ATOM 1537 NH1 ARG A 91 10.773 6.927 12.155 1.00 73.41 N ATOM 1538 NH2 ARG A 91 9.619 8.859 12.583 1.00 33.15 N ATOM 0 H ARG A 91 9.454 2.564 7.066 1.00 5.32 H new ATOM 0 HA ARG A 91 8.586 2.994 9.695 1.00 34.45 H new ATOM 0 HB2 ARG A 91 10.372 4.332 8.650 1.00 54.11 H new ATOM 0 HB3 ARG A 91 9.233 5.006 7.501 1.00 54.11 H new ATOM 0 HG2 ARG A 91 7.958 6.069 9.365 1.00 44.11 H new ATOM 0 HG3 ARG A 91 9.059 5.366 10.534 1.00 44.11 H new ATOM 0 HD2 ARG A 91 10.938 6.688 9.498 1.00 72.32 H new ATOM 0 HD3 ARG A 91 9.776 7.444 8.425 1.00 72.32 H new ATOM 0 HE ARG A 91 8.989 8.773 10.188 1.00 10.22 H new ATOM 0 HH11 ARG A 91 11.062 6.194 11.508 1.00 73.41 H new ATOM 0 HH12 ARG A 91 11.080 6.899 13.127 1.00 73.41 H new ATOM 0 HH21 ARG A 91 9.017 9.620 12.270 1.00 33.15 H new ATOM 0 HH22 ARG A 91 9.932 8.822 13.553 1.00 33.15 H new ATOM 1552 N TRP A 92 6.545 4.107 7.275 1.00 63.12 N ATOM 1553 CA TRP A 92 5.157 4.502 6.977 1.00 63.05 C ATOM 1554 C TRP A 92 4.134 3.455 7.456 1.00 74.11 C ATOM 1555 O TRP A 92 3.036 3.822 7.849 1.00 43.12 O ATOM 1556 CB TRP A 92 4.956 4.772 5.461 1.00 2.24 C ATOM 1557 CG TRP A 92 5.666 6.001 4.930 1.00 3.02 C ATOM 1558 CD1 TRP A 92 6.576 6.050 3.910 1.00 11.11 C ATOM 1559 CD2 TRP A 92 5.503 7.360 5.379 1.00 32.41 C ATOM 1560 NE1 TRP A 92 6.991 7.339 3.707 1.00 62.43 N ATOM 1561 CE2 TRP A 92 6.350 8.161 4.591 1.00 71.14 C ATOM 1562 CE3 TRP A 92 4.723 7.977 6.371 1.00 53.53 C ATOM 1563 CZ2 TRP A 92 6.448 9.536 4.767 1.00 61.22 C ATOM 1564 CZ3 TRP A 92 4.815 9.345 6.539 1.00 12.33 C ATOM 1565 CH2 TRP A 92 5.672 10.112 5.738 1.00 75.23 C ATOM 0 H TRP A 92 7.155 4.086 6.458 1.00 63.12 H new ATOM 0 HA TRP A 92 4.980 5.425 7.529 1.00 63.05 H new ATOM 0 HB2 TRP A 92 5.302 3.902 4.903 1.00 2.24 H new ATOM 0 HB3 TRP A 92 3.889 4.874 5.264 1.00 2.24 H new ATOM 0 HD1 TRP A 92 6.918 5.195 3.346 1.00 11.11 H new ATOM 0 HE1 TRP A 92 7.670 7.638 3.007 1.00 62.43 H new ATOM 0 HE3 TRP A 92 4.062 7.391 6.992 1.00 53.53 H new ATOM 0 HZ2 TRP A 92 7.114 10.131 4.159 1.00 61.22 H new ATOM 0 HZ3 TRP A 92 4.219 9.830 7.298 1.00 12.33 H new ATOM 0 HH2 TRP A 92 5.722 11.180 5.890 1.00 75.23 H new ATOM 1576 N ILE A 93 4.518 2.163 7.415 1.00 51.53 N ATOM 1577 CA ILE A 93 3.669 1.046 7.873 1.00 71.01 C ATOM 1578 C ILE A 93 3.552 1.071 9.416 1.00 44.41 C ATOM 1579 O ILE A 93 2.453 0.946 9.965 1.00 55.12 O ATOM 1580 CB ILE A 93 4.258 -0.329 7.369 1.00 2.42 C ATOM 1581 CG1 ILE A 93 4.125 -0.437 5.812 1.00 51.34 C ATOM 1582 CG2 ILE A 93 3.611 -1.545 8.075 1.00 51.35 C ATOM 1583 CD1 ILE A 93 4.762 -1.671 5.192 1.00 54.45 C ATOM 0 H ILE A 93 5.428 1.865 7.063 1.00 51.53 H new ATOM 0 HA ILE A 93 2.670 1.158 7.452 1.00 71.01 H new ATOM 0 HB ILE A 93 5.315 -0.349 7.633 1.00 2.42 H new ATOM 0 HG12 ILE A 93 3.067 -0.425 5.552 1.00 51.34 H new ATOM 0 HG13 ILE A 93 4.574 0.449 5.363 1.00 51.34 H new ATOM 0 HG21 ILE A 93 4.052 -2.465 7.692 1.00 51.35 H new ATOM 0 HG22 ILE A 93 3.787 -1.478 9.149 1.00 51.35 H new ATOM 0 HG23 ILE A 93 2.538 -1.549 7.883 1.00 51.35 H new ATOM 0 HD11 ILE A 93 4.616 -1.652 4.112 1.00 54.45 H new ATOM 0 HD12 ILE A 93 5.829 -1.680 5.413 1.00 54.45 H new ATOM 0 HD13 ILE A 93 4.298 -2.567 5.606 1.00 54.45 H new ATOM 1595 N LYS A 94 4.710 1.234 10.092 1.00 52.42 N ATOM 1596 CA LYS A 94 4.805 1.397 11.561 1.00 43.24 C ATOM 1597 C LYS A 94 3.928 2.564 12.064 1.00 31.15 C ATOM 1598 O LYS A 94 3.175 2.407 13.030 1.00 52.21 O ATOM 1599 CB LYS A 94 6.306 1.586 11.956 1.00 14.02 C ATOM 1600 CG LYS A 94 6.564 2.281 13.315 1.00 62.20 C ATOM 1601 CD LYS A 94 8.038 2.212 13.770 1.00 43.32 C ATOM 1602 CE LYS A 94 8.459 0.793 14.193 1.00 12.14 C ATOM 1603 NZ LYS A 94 7.669 0.307 15.358 1.00 62.23 N ATOM 0 H LYS A 94 5.618 1.257 9.627 1.00 52.42 H new ATOM 0 HA LYS A 94 4.421 0.499 12.045 1.00 43.24 H new ATOM 0 HB2 LYS A 94 6.783 0.606 11.974 1.00 14.02 H new ATOM 0 HB3 LYS A 94 6.797 2.165 11.174 1.00 14.02 H new ATOM 0 HG2 LYS A 94 6.262 3.326 13.243 1.00 62.20 H new ATOM 0 HG3 LYS A 94 5.935 1.819 14.076 1.00 62.20 H new ATOM 0 HD2 LYS A 94 8.682 2.552 12.958 1.00 43.32 H new ATOM 0 HD3 LYS A 94 8.190 2.896 14.605 1.00 43.32 H new ATOM 0 HE2 LYS A 94 8.328 0.110 13.354 1.00 12.14 H new ATOM 0 HE3 LYS A 94 9.519 0.788 14.445 1.00 12.14 H new ATOM 0 HZ1 LYS A 94 8.137 -0.524 15.772 1.00 62.23 H new ATOM 0 HZ2 LYS A 94 7.605 1.060 16.073 1.00 62.23 H new ATOM 0 HZ3 LYS A 94 6.713 0.046 15.044 1.00 62.23 H new ATOM 1617 N GLU A 95 4.025 3.710 11.374 1.00 40.25 N ATOM 1618 CA GLU A 95 3.229 4.910 11.674 1.00 30.42 C ATOM 1619 C GLU A 95 1.732 4.609 11.504 1.00 11.52 C ATOM 1620 O GLU A 95 0.937 4.818 12.412 1.00 64.42 O ATOM 1621 CB GLU A 95 3.645 6.063 10.726 1.00 42.10 C ATOM 1622 CG GLU A 95 5.106 6.527 10.875 1.00 53.22 C ATOM 1623 CD GLU A 95 5.406 7.153 12.250 1.00 31.33 C ATOM 1624 OE1 GLU A 95 5.022 8.329 12.465 1.00 2.44 O ATOM 1625 OE2 GLU A 95 6.011 6.485 13.118 1.00 5.52 O ATOM 0 H GLU A 95 4.662 3.831 10.587 1.00 40.25 H new ATOM 0 HA GLU A 95 3.413 5.208 12.706 1.00 30.42 H new ATOM 0 HB2 GLU A 95 3.483 5.744 9.696 1.00 42.10 H new ATOM 0 HB3 GLU A 95 2.988 6.915 10.903 1.00 42.10 H new ATOM 0 HG2 GLU A 95 5.769 5.676 10.718 1.00 53.22 H new ATOM 0 HG3 GLU A 95 5.331 7.254 10.095 1.00 53.22 H new ATOM 1632 N PHE A 96 1.407 4.051 10.333 1.00 22.12 N ATOM 1633 CA PHE A 96 0.033 3.786 9.878 1.00 24.55 C ATOM 1634 C PHE A 96 -0.732 2.839 10.828 1.00 53.33 C ATOM 1635 O PHE A 96 -1.946 2.969 10.987 1.00 20.32 O ATOM 1636 CB PHE A 96 0.121 3.192 8.454 1.00 64.55 C ATOM 1637 CG PHE A 96 -1.201 2.919 7.763 1.00 64.44 C ATOM 1638 CD1 PHE A 96 -1.972 3.971 7.258 1.00 55.04 C ATOM 1639 CD2 PHE A 96 -1.669 1.612 7.594 1.00 12.02 C ATOM 1640 CE1 PHE A 96 -3.163 3.717 6.616 1.00 74.15 C ATOM 1641 CE2 PHE A 96 -2.859 1.368 6.955 1.00 2.33 C ATOM 1642 CZ PHE A 96 -3.598 2.418 6.468 1.00 74.13 C ATOM 0 H PHE A 96 2.111 3.762 9.654 1.00 22.12 H new ATOM 0 HA PHE A 96 -0.532 4.718 9.875 1.00 24.55 H new ATOM 0 HB2 PHE A 96 0.699 3.876 7.832 1.00 64.55 H new ATOM 0 HB3 PHE A 96 0.681 2.258 8.506 1.00 64.55 H new ATOM 0 HD1 PHE A 96 -1.631 4.989 7.372 1.00 55.04 H new ATOM 0 HD2 PHE A 96 -1.087 0.784 7.971 1.00 12.02 H new ATOM 0 HE1 PHE A 96 -3.755 4.534 6.229 1.00 74.15 H new ATOM 0 HE2 PHE A 96 -3.213 0.355 6.836 1.00 2.33 H new ATOM 0 HZ PHE A 96 -4.532 2.223 5.962 1.00 74.13 H new ATOM 1652 N SER A 97 -0.002 1.890 11.435 1.00 0.54 N ATOM 1653 CA SER A 97 -0.582 0.892 12.349 1.00 22.55 C ATOM 1654 C SER A 97 -0.742 1.446 13.778 1.00 33.53 C ATOM 1655 O SER A 97 -1.781 1.228 14.415 1.00 61.23 O ATOM 1656 CB SER A 97 0.296 -0.369 12.364 1.00 10.13 C ATOM 1657 OG SER A 97 1.652 -0.057 12.637 1.00 74.33 O ATOM 0 H SER A 97 1.005 1.793 11.307 1.00 0.54 H new ATOM 0 HA SER A 97 -1.578 0.641 11.983 1.00 22.55 H new ATOM 0 HB2 SER A 97 -0.077 -1.064 13.117 1.00 10.13 H new ATOM 0 HB3 SER A 97 0.225 -0.874 11.401 1.00 10.13 H new ATOM 0 HG SER A 97 2.097 0.222 11.809 1.00 74.33 H new