USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 854 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 93 LYS NZ :NH3+ 156:sc= 1.32 (180deg=0) USER MOD Set 1.2: A 96 GLN : amide:sc= 1.72 K(o=3,f=-7.7!) USER MOD Single : A 21 MET CE :methyl 161:sc= -0.123 (180deg=-0.574) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 166:sc= -0.415 (180deg=-0.492) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0343 (180deg=-0.357) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.897 (180deg=-1.35) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0.895) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 179:sc= 2 (180deg=1.95) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.0535 (180deg=-0.291) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -107:sc= -0.266 (180deg=-0.348) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= -0.0308 (180deg=-0.332) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= -0.0353 (180deg=-0.209) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 168:sc= 1.23 USER MOD Single : A 109 THR OG1 : rot 21:sc= 1.19 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -155:sc= 2.36 (180deg=1.82) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -89:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.523 -13.595 3.893 1.00 0.86 N ATOM 2 CA MET A 21 -7.550 -12.168 3.505 1.00 0.65 C ATOM 3 C MET A 21 -6.460 -11.877 2.480 1.00 0.55 C ATOM 4 O MET A 21 -5.304 -12.260 2.668 1.00 0.75 O ATOM 5 CB MET A 21 -7.359 -11.278 4.742 1.00 0.73 C ATOM 6 CG MET A 21 -6.039 -11.495 5.468 1.00 1.04 C ATOM 7 SD MET A 21 -5.855 -10.449 6.925 1.00 1.93 S ATOM 8 CE MET A 21 -7.185 -11.058 7.959 1.00 2.17 C ATOM 0 HA MET A 21 -8.520 -11.948 3.058 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.426 -10.233 4.438 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.178 -11.461 5.438 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.963 -12.541 5.766 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.216 -11.299 4.781 1.00 1.04 H new ATOM 0 HE1 MET A 21 -7.004 -10.767 8.994 1.00 2.17 H new ATOM 0 HE2 MET A 21 -8.131 -10.633 7.623 1.00 2.17 H new ATOM 0 HE3 MET A 21 -7.230 -12.145 7.891 1.00 2.17 H new ATOM 17 N THR A 22 -6.825 -11.223 1.383 1.00 0.43 N ATOM 18 CA THR A 22 -5.835 -10.837 0.390 1.00 0.41 C ATOM 19 C THR A 22 -5.145 -9.547 0.820 1.00 0.35 C ATOM 20 O THR A 22 -5.803 -8.592 1.239 1.00 0.38 O ATOM 21 CB THR A 22 -6.464 -10.650 -1.003 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.313 -11.761 -1.310 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.386 -10.543 -2.070 1.00 0.63 C ATOM 0 H THR A 22 -7.784 -10.953 1.162 1.00 0.43 H new ATOM 0 HA THR A 22 -5.104 -11.643 0.321 1.00 0.41 H new ATOM 0 HB THR A 22 -7.048 -9.729 -0.990 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.711 -11.634 -2.197 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.852 -10.411 -3.046 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.745 -9.688 -1.856 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.786 -11.453 -2.074 1.00 0.63 H new ATOM 31 N LEU A 23 -3.823 -9.530 0.733 1.00 0.32 N ATOM 32 CA LEU A 23 -3.043 -8.392 1.193 1.00 0.29 C ATOM 33 C LEU A 23 -2.410 -7.658 0.017 1.00 0.26 C ATOM 34 O LEU A 23 -1.703 -8.257 -0.798 1.00 0.30 O ATOM 35 CB LEU A 23 -1.960 -8.859 2.168 1.00 0.30 C ATOM 36 CG LEU A 23 -2.468 -9.606 3.406 1.00 0.36 C ATOM 37 CD1 LEU A 23 -1.304 -10.033 4.287 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.441 -8.742 4.193 1.00 0.39 C ATOM 0 H LEU A 23 -3.268 -10.294 0.347 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.712 -7.701 1.707 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.268 -9.508 1.632 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.392 -7.989 2.497 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.995 -10.500 3.073 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.684 -10.562 5.161 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.643 -10.692 3.723 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.749 -9.152 4.609 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.790 -9.291 5.068 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.939 -7.829 4.514 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.292 -8.486 3.562 1.00 0.39 H new ATOM 50 N PHE A 24 -2.673 -6.364 -0.072 1.00 0.25 N ATOM 51 CA PHE A 24 -2.148 -5.546 -1.159 1.00 0.25 C ATOM 52 C PHE A 24 -1.268 -4.442 -0.616 1.00 0.26 C ATOM 53 O PHE A 24 -1.308 -4.131 0.574 1.00 0.30 O ATOM 54 CB PHE A 24 -3.284 -4.912 -1.962 1.00 0.28 C ATOM 55 CG PHE A 24 -4.207 -5.900 -2.594 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.245 -6.450 -1.867 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.041 -6.277 -3.914 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.099 -7.360 -2.442 1.00 1.25 C ATOM 59 CE2 PHE A 24 -4.894 -7.188 -4.496 1.00 1.30 C ATOM 60 CZ PHE A 24 -5.925 -7.730 -3.759 1.00 0.51 C ATOM 0 H PHE A 24 -3.249 -5.854 0.597 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.564 -6.199 -1.807 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.860 -4.261 -1.305 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -2.856 -4.281 -2.741 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.387 -6.162 -0.836 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.235 -5.853 -4.494 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -6.906 -7.785 -1.863 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -4.756 -7.477 -5.527 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.596 -8.444 -4.213 1.00 0.51 H new ATOM 70 N VAL A 25 -0.483 -3.845 -1.494 1.00 0.29 N ATOM 71 CA VAL A 25 0.318 -2.695 -1.134 1.00 0.31 C ATOM 72 C VAL A 25 0.519 -1.776 -2.337 1.00 0.30 C ATOM 73 O VAL A 25 1.113 -2.158 -3.348 1.00 0.35 O ATOM 74 CB VAL A 25 1.678 -3.108 -0.510 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.397 -4.137 -1.368 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.563 -1.890 -0.278 1.00 0.98 C ATOM 0 H VAL A 25 -0.385 -4.141 -2.465 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.229 -2.142 -0.370 1.00 0.31 H new ATOM 0 HB VAL A 25 1.467 -3.569 0.455 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.345 -4.402 -0.900 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.777 -5.029 -1.463 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.585 -3.719 -2.357 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.510 -2.206 0.160 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.751 -1.391 -1.228 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.062 -1.200 0.401 1.00 0.98 H new ATOM 86 N LEU A 26 -0.038 -0.578 -2.236 1.00 0.34 N ATOM 87 CA LEU A 26 0.174 0.458 -3.233 1.00 0.35 C ATOM 88 C LEU A 26 1.344 1.312 -2.791 1.00 0.34 C ATOM 89 O LEU A 26 1.662 1.357 -1.604 1.00 0.36 O ATOM 90 CB LEU A 26 -1.072 1.339 -3.417 1.00 0.40 C ATOM 91 CG LEU A 26 -2.296 0.662 -4.048 1.00 0.44 C ATOM 92 CD1 LEU A 26 -1.887 -0.205 -5.224 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.064 -0.152 -3.023 1.00 1.09 C ATOM 0 H LEU A 26 -0.646 -0.299 -1.466 1.00 0.34 H new ATOM 0 HA LEU A 26 0.380 -0.016 -4.193 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.362 1.730 -2.442 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.798 2.195 -4.034 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.957 1.447 -4.415 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -2.771 -0.674 -5.655 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.400 0.412 -5.979 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -1.196 -0.976 -4.884 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.925 -0.619 -3.501 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.414 -0.924 -2.611 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.405 0.502 -2.220 1.00 1.09 H new ATOM 105 N ILE A 27 1.985 1.990 -3.722 1.00 0.34 N ATOM 106 CA ILE A 27 3.183 2.735 -3.386 1.00 0.32 C ATOM 107 C ILE A 27 3.370 3.963 -4.270 1.00 0.30 C ATOM 108 O ILE A 27 3.550 3.843 -5.481 1.00 0.36 O ATOM 109 CB ILE A 27 4.436 1.823 -3.482 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.721 2.627 -3.237 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.489 1.116 -4.833 1.00 0.35 C ATOM 112 CD1 ILE A 27 6.977 1.780 -3.210 1.00 0.55 C ATOM 0 H ILE A 27 1.703 2.041 -4.701 1.00 0.34 H new ATOM 0 HA ILE A 27 3.061 3.082 -2.360 1.00 0.32 H new ATOM 0 HB ILE A 27 4.360 1.064 -2.704 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.820 3.382 -4.017 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.631 3.157 -2.289 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.375 0.483 -4.878 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.597 0.502 -4.957 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.533 1.858 -5.630 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.843 2.418 -3.032 1.00 0.55 H new ATOM 0 HD12 ILE A 27 6.901 1.042 -2.412 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.092 1.270 -4.166 1.00 0.55 H new ATOM 124 N LEU A 28 3.314 5.150 -3.668 1.00 0.30 N ATOM 125 CA LEU A 28 3.780 6.338 -4.366 1.00 0.36 C ATOM 126 C LEU A 28 5.106 6.766 -3.768 1.00 0.38 C ATOM 127 O LEU A 28 5.184 7.698 -2.962 1.00 0.41 O ATOM 128 CB LEU A 28 2.777 7.495 -4.256 1.00 0.46 C ATOM 129 CG LEU A 28 1.701 7.562 -5.342 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.739 6.395 -5.231 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.950 8.880 -5.258 1.00 1.18 C ATOM 0 H LEU A 28 2.960 5.310 -2.725 1.00 0.30 H new ATOM 0 HA LEU A 28 3.891 6.093 -5.422 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.282 7.428 -3.287 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.333 8.433 -4.266 1.00 0.46 H new ATOM 0 HG LEU A 28 2.194 7.499 -6.312 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.015 6.469 -6.015 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.287 5.460 -5.342 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.252 6.417 -4.256 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.188 8.915 -6.036 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.475 8.967 -4.281 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.648 9.706 -5.397 1.00 1.18 H new ATOM 143 N SER A 29 6.138 6.051 -4.156 1.00 0.44 N ATOM 144 CA SER A 29 7.503 6.439 -3.900 1.00 0.56 C ATOM 145 C SER A 29 8.346 5.894 -5.038 1.00 0.68 C ATOM 146 O SER A 29 8.872 4.782 -4.942 1.00 1.05 O ATOM 147 CB SER A 29 7.968 5.884 -2.549 1.00 0.61 C ATOM 148 OG SER A 29 9.184 6.483 -2.136 1.00 1.27 O ATOM 0 H SER A 29 6.049 5.172 -4.665 1.00 0.44 H new ATOM 0 HA SER A 29 7.599 7.524 -3.850 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.199 6.061 -1.797 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.099 4.804 -2.623 1.00 0.61 H new ATOM 0 HG SER A 29 9.455 6.111 -1.271 1.00 1.27 H new ATOM 154 N ASN A 30 8.474 6.633 -6.125 1.00 0.60 N ATOM 155 CA ASN A 30 9.089 6.049 -7.302 1.00 0.67 C ATOM 156 C ASN A 30 10.579 6.332 -7.351 1.00 0.64 C ATOM 157 O ASN A 30 11.024 7.351 -7.876 1.00 0.68 O ATOM 158 CB ASN A 30 8.405 6.564 -8.572 1.00 0.79 C ATOM 159 CG ASN A 30 6.995 6.023 -8.735 1.00 1.85 C ATOM 160 OD1 ASN A 30 6.788 4.988 -9.371 1.00 2.75 O ATOM 161 ND2 ASN A 30 6.016 6.710 -8.164 1.00 2.45 N ATOM 0 H ASN A 30 8.173 7.603 -6.218 1.00 0.60 H new ATOM 0 HA ASN A 30 8.959 4.968 -7.243 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.372 7.653 -8.546 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.001 6.284 -9.441 1.00 0.79 H new ATOM 0 HD21 ASN A 30 5.052 6.386 -8.243 1.00 2.45 H new ATOM 0 HD22 ASN A 30 6.226 7.563 -7.645 1.00 2.45 H new ATOM 168 N ASP A 31 11.342 5.414 -6.781 1.00 0.63 N ATOM 169 CA ASP A 31 12.780 5.353 -6.986 1.00 0.67 C ATOM 170 C ASP A 31 13.136 4.034 -7.654 1.00 0.72 C ATOM 171 O ASP A 31 12.531 3.015 -7.327 1.00 0.81 O ATOM 172 CB ASP A 31 13.538 5.509 -5.669 1.00 0.72 C ATOM 173 CG ASP A 31 15.037 5.377 -5.850 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.680 6.370 -6.245 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.579 4.278 -5.608 1.00 1.57 O ATOM 0 H ASP A 31 10.981 4.688 -6.162 1.00 0.63 H new ATOM 0 HA ASP A 31 13.076 6.180 -7.631 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.311 6.483 -5.235 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.192 4.756 -4.961 1.00 0.72 H new ATOM 180 N LYS A 32 14.096 4.029 -8.565 1.00 0.78 N ATOM 181 CA LYS A 32 14.455 2.797 -9.271 1.00 0.82 C ATOM 182 C LYS A 32 14.874 1.697 -8.291 1.00 0.79 C ATOM 183 O LYS A 32 14.310 0.596 -8.297 1.00 0.81 O ATOM 184 CB LYS A 32 15.579 3.042 -10.285 1.00 0.99 C ATOM 185 CG LYS A 32 15.142 3.767 -11.554 1.00 1.10 C ATOM 186 CD LYS A 32 14.845 5.234 -11.304 1.00 1.61 C ATOM 187 CE LYS A 32 14.481 5.956 -12.591 1.00 2.22 C ATOM 188 NZ LYS A 32 14.213 7.396 -12.356 1.00 2.93 N ATOM 0 H LYS A 32 14.638 4.850 -8.835 1.00 0.78 H new ATOM 0 HA LYS A 32 13.566 2.467 -9.809 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.365 3.623 -9.803 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.016 2.083 -10.562 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.925 3.680 -12.308 1.00 1.10 H new ATOM 0 HG3 LYS A 32 14.254 3.282 -11.959 1.00 1.10 H new ATOM 0 HD2 LYS A 32 14.026 5.324 -10.591 1.00 1.61 H new ATOM 0 HD3 LYS A 32 15.715 5.710 -10.852 1.00 1.61 H new ATOM 0 HE2 LYS A 32 15.293 5.850 -13.310 1.00 2.22 H new ATOM 0 HE3 LYS A 32 13.601 5.490 -13.033 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 13.968 7.855 -13.257 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 13.421 7.497 -11.689 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 15.061 7.846 -11.957 1.00 2.93 H new ATOM 202 N LYS A 33 15.840 2.014 -7.435 1.00 0.84 N ATOM 203 CA LYS A 33 16.396 1.037 -6.505 1.00 0.86 C ATOM 204 C LYS A 33 15.373 0.661 -5.436 1.00 0.74 C ATOM 205 O LYS A 33 15.208 -0.519 -5.107 1.00 0.70 O ATOM 206 CB LYS A 33 17.664 1.595 -5.848 1.00 1.02 C ATOM 207 CG LYS A 33 18.281 0.663 -4.815 1.00 1.56 C ATOM 208 CD LYS A 33 19.518 1.272 -4.171 1.00 2.24 C ATOM 209 CE LYS A 33 20.675 1.370 -5.151 1.00 2.94 C ATOM 210 NZ LYS A 33 21.886 1.955 -4.522 1.00 3.44 N ATOM 0 H LYS A 33 16.255 2.943 -7.366 1.00 0.84 H new ATOM 0 HA LYS A 33 16.652 0.138 -7.066 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.402 1.803 -6.623 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.426 2.546 -5.370 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.544 0.436 -4.044 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.546 -0.281 -5.290 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.278 2.265 -3.791 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.817 0.667 -3.315 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.909 0.378 -5.536 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.378 1.981 -6.004 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 22.652 2.005 -5.224 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 21.670 2.912 -4.177 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 22.185 1.359 -3.724 1.00 3.44 H new ATOM 224 N LEU A 34 14.688 1.671 -4.911 1.00 0.72 N ATOM 225 CA LEU A 34 13.689 1.480 -3.864 1.00 0.64 C ATOM 226 C LEU A 34 12.604 0.508 -4.327 1.00 0.58 C ATOM 227 O LEU A 34 12.330 -0.483 -3.655 1.00 0.62 O ATOM 228 CB LEU A 34 13.048 2.823 -3.512 1.00 0.63 C ATOM 229 CG LEU A 34 12.405 2.962 -2.121 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.281 3.965 -2.193 1.00 1.37 C ATOM 231 CD2 LEU A 34 11.888 1.641 -1.567 1.00 1.46 C ATOM 0 H LEU A 34 14.808 2.642 -5.198 1.00 0.72 H new ATOM 0 HA LEU A 34 14.183 1.065 -2.986 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.811 3.595 -3.608 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.283 3.036 -4.259 1.00 0.63 H new ATOM 0 HG LEU A 34 13.182 3.303 -1.436 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.821 4.068 -1.210 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.674 4.930 -2.512 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.534 3.623 -2.909 1.00 1.37 H new ATOM 0 HD21 LEU A 34 11.447 1.806 -0.584 1.00 1.46 H new ATOM 0 HD22 LEU A 34 11.133 1.235 -2.240 1.00 1.46 H new ATOM 0 HD23 LEU A 34 12.714 0.935 -1.479 1.00 1.46 H new ATOM 243 N ILE A 35 12.000 0.800 -5.479 1.00 0.54 N ATOM 244 CA ILE A 35 10.899 -0.006 -6.006 1.00 0.52 C ATOM 245 C ILE A 35 11.269 -1.488 -6.047 1.00 0.55 C ATOM 246 O ILE A 35 10.427 -2.360 -5.819 1.00 0.58 O ATOM 247 CB ILE A 35 10.475 0.486 -7.413 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.710 1.810 -7.297 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.633 -0.555 -8.139 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.288 2.390 -8.631 1.00 0.69 C ATOM 0 H ILE A 35 12.256 1.593 -6.067 1.00 0.54 H new ATOM 0 HA ILE A 35 10.052 0.113 -5.331 1.00 0.52 H new ATOM 0 HB ILE A 35 11.378 0.646 -8.002 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.824 1.654 -6.682 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.335 2.536 -6.777 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.354 -0.176 -9.122 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.209 -1.473 -8.254 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.732 -0.762 -7.561 1.00 0.61 H new ATOM 0 HD11 ILE A 35 8.753 3.325 -8.468 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.171 2.579 -9.241 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.636 1.684 -9.145 1.00 0.69 H new ATOM 262 N GLU A 36 12.539 -1.768 -6.284 1.00 0.59 N ATOM 263 CA GLU A 36 13.002 -3.147 -6.331 1.00 0.66 C ATOM 264 C GLU A 36 13.143 -3.724 -4.927 1.00 0.62 C ATOM 265 O GLU A 36 12.666 -4.826 -4.659 1.00 0.62 O ATOM 266 CB GLU A 36 14.323 -3.265 -7.084 1.00 0.79 C ATOM 267 CG GLU A 36 14.189 -3.043 -8.580 1.00 0.76 C ATOM 268 CD GLU A 36 15.469 -3.341 -9.331 1.00 1.34 C ATOM 269 OE1 GLU A 36 15.769 -4.536 -9.550 1.00 2.15 O ATOM 270 OE2 GLU A 36 16.179 -2.388 -9.715 1.00 1.87 O ATOM 0 H GLU A 36 13.263 -1.068 -6.446 1.00 0.59 H new ATOM 0 HA GLU A 36 12.251 -3.724 -6.870 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.029 -2.540 -6.679 1.00 0.79 H new ATOM 0 HB3 GLU A 36 14.745 -4.254 -6.908 1.00 0.79 H new ATOM 0 HG2 GLU A 36 13.390 -3.675 -8.967 1.00 0.76 H new ATOM 0 HG3 GLU A 36 13.896 -2.010 -8.765 1.00 0.76 H new ATOM 277 N GLU A 37 13.778 -2.973 -4.028 1.00 0.62 N ATOM 278 CA GLU A 37 13.958 -3.426 -2.649 1.00 0.65 C ATOM 279 C GLU A 37 12.608 -3.605 -1.964 1.00 0.56 C ATOM 280 O GLU A 37 12.411 -4.535 -1.182 1.00 0.57 O ATOM 281 CB GLU A 37 14.821 -2.445 -1.848 1.00 0.73 C ATOM 282 CG GLU A 37 16.284 -2.440 -2.258 1.00 0.85 C ATOM 283 CD GLU A 37 17.164 -1.686 -1.278 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.184 -2.056 -0.079 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.866 -0.745 -1.703 1.00 1.84 O ATOM 0 H GLU A 37 14.174 -2.054 -4.227 1.00 0.62 H new ATOM 0 HA GLU A 37 14.472 -4.387 -2.683 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.417 -1.440 -1.966 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.751 -2.694 -0.789 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.637 -3.468 -2.341 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.379 -1.990 -3.246 1.00 0.85 H new ATOM 292 N ALA A 38 11.682 -2.709 -2.275 1.00 0.51 N ATOM 293 CA ALA A 38 10.337 -2.777 -1.732 1.00 0.46 C ATOM 294 C ALA A 38 9.610 -4.012 -2.245 1.00 0.42 C ATOM 295 O ALA A 38 9.011 -4.755 -1.468 1.00 0.43 O ATOM 296 CB ALA A 38 9.558 -1.518 -2.085 1.00 0.50 C ATOM 0 H ALA A 38 11.841 -1.923 -2.905 1.00 0.51 H new ATOM 0 HA ALA A 38 10.410 -2.849 -0.647 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.552 -1.585 -1.671 1.00 0.50 H new ATOM 0 HB2 ALA A 38 10.065 -0.648 -1.669 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.498 -1.419 -3.169 1.00 0.50 H new ATOM 302 N ARG A 39 9.676 -4.243 -3.554 1.00 0.43 N ATOM 303 CA ARG A 39 8.989 -5.381 -4.144 1.00 0.45 C ATOM 304 C ARG A 39 9.583 -6.692 -3.678 1.00 0.45 C ATOM 305 O ARG A 39 8.853 -7.583 -3.308 1.00 0.49 O ATOM 306 CB ARG A 39 8.999 -5.337 -5.670 1.00 0.53 C ATOM 307 CG ARG A 39 8.425 -6.603 -6.303 1.00 0.60 C ATOM 308 CD ARG A 39 8.172 -6.410 -7.789 1.00 0.77 C ATOM 309 NE ARG A 39 9.415 -6.201 -8.534 1.00 1.46 N ATOM 310 CZ ARG A 39 9.483 -5.590 -9.717 1.00 1.90 C ATOM 311 NH1 ARG A 39 8.383 -5.121 -10.291 1.00 1.82 N ATOM 312 NH2 ARG A 39 10.655 -5.453 -10.326 1.00 2.96 N ATOM 0 H ARG A 39 10.192 -3.664 -4.216 1.00 0.43 H new ATOM 0 HA ARG A 39 7.955 -5.315 -3.805 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.424 -4.475 -6.008 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.022 -5.194 -6.018 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.116 -7.432 -6.154 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.493 -6.871 -5.805 1.00 0.60 H new ATOM 0 HD2 ARG A 39 7.654 -7.284 -8.185 1.00 0.77 H new ATOM 0 HD3 ARG A 39 7.513 -5.555 -7.937 1.00 0.77 H new ATOM 0 HE ARG A 39 10.283 -6.544 -8.122 1.00 1.46 H new ATOM 0 HH11 ARG A 39 7.481 -5.227 -9.827 1.00 1.82 H new ATOM 0 HH12 ARG A 39 8.439 -4.654 -11.196 1.00 1.82 H new ATOM 0 HH21 ARG A 39 11.502 -5.815 -9.889 1.00 2.96 H new ATOM 0 HH22 ARG A 39 10.708 -4.986 -11.231 1.00 2.96 H new ATOM 326 N LYS A 40 10.900 -6.814 -3.688 1.00 0.49 N ATOM 327 CA LYS A 40 11.536 -8.076 -3.323 1.00 0.55 C ATOM 328 C LYS A 40 11.204 -8.460 -1.885 1.00 0.49 C ATOM 329 O LYS A 40 11.111 -9.641 -1.552 1.00 0.54 O ATOM 330 CB LYS A 40 13.046 -7.997 -3.545 1.00 0.70 C ATOM 331 CG LYS A 40 13.408 -7.794 -5.007 1.00 0.85 C ATOM 332 CD LYS A 40 14.906 -7.831 -5.245 1.00 1.27 C ATOM 333 CE LYS A 40 15.223 -7.623 -6.716 1.00 1.34 C ATOM 334 NZ LYS A 40 16.657 -7.866 -7.023 1.00 1.88 N ATOM 0 H LYS A 40 11.546 -6.066 -3.941 1.00 0.49 H new ATOM 0 HA LYS A 40 11.141 -8.860 -3.969 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.455 -7.176 -2.955 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.512 -8.913 -3.182 1.00 0.70 H new ATOM 0 HG2 LYS A 40 12.929 -8.567 -5.607 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.013 -6.836 -5.346 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.393 -7.058 -4.650 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.308 -8.788 -4.913 1.00 1.27 H new ATOM 0 HE2 LYS A 40 14.607 -8.292 -7.317 1.00 1.34 H new ATOM 0 HE3 LYS A 40 14.960 -6.605 -7.002 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.826 -7.712 -8.038 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.246 -7.211 -6.471 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 16.904 -8.846 -6.776 1.00 1.88 H new ATOM 348 N MET A 41 10.993 -7.456 -1.047 1.00 0.45 N ATOM 349 CA MET A 41 10.572 -7.673 0.320 1.00 0.46 C ATOM 350 C MET A 41 9.085 -8.040 0.379 1.00 0.41 C ATOM 351 O MET A 41 8.705 -9.045 0.980 1.00 0.46 O ATOM 352 CB MET A 41 10.840 -6.402 1.116 1.00 0.57 C ATOM 353 CG MET A 41 10.394 -6.467 2.558 1.00 0.89 C ATOM 354 SD MET A 41 11.333 -7.652 3.534 1.00 1.10 S ATOM 355 CE MET A 41 10.564 -7.431 5.135 1.00 1.68 C ATOM 0 H MET A 41 11.109 -6.474 -1.298 1.00 0.45 H new ATOM 0 HA MET A 41 11.133 -8.504 0.748 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.908 -6.188 1.087 1.00 0.57 H new ATOM 0 HB3 MET A 41 10.334 -5.568 0.629 1.00 0.57 H new ATOM 0 HG2 MET A 41 10.490 -5.478 3.007 1.00 0.89 H new ATOM 0 HG3 MET A 41 9.337 -6.732 2.594 1.00 0.89 H new ATOM 0 HE1 MET A 41 10.849 -8.253 5.792 1.00 1.68 H new ATOM 0 HE2 MET A 41 10.894 -6.488 5.570 1.00 1.68 H new ATOM 0 HE3 MET A 41 9.480 -7.418 5.019 1.00 1.68 H new ATOM 365 N ALA A 42 8.251 -7.230 -0.267 1.00 0.37 N ATOM 366 CA ALA A 42 6.803 -7.427 -0.234 1.00 0.39 C ATOM 367 C ALA A 42 6.381 -8.658 -1.027 1.00 0.42 C ATOM 368 O ALA A 42 5.369 -9.288 -0.719 1.00 0.49 O ATOM 369 CB ALA A 42 6.091 -6.195 -0.767 1.00 0.43 C ATOM 0 H ALA A 42 8.553 -6.429 -0.821 1.00 0.37 H new ATOM 0 HA ALA A 42 6.518 -7.587 0.806 1.00 0.39 H new ATOM 0 HB1 ALA A 42 5.013 -6.356 -0.737 1.00 0.43 H new ATOM 0 HB2 ALA A 42 6.347 -5.332 -0.152 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.402 -6.012 -1.796 1.00 0.43 H new ATOM 375 N GLU A 43 7.162 -8.995 -2.042 1.00 0.45 N ATOM 376 CA GLU A 43 6.883 -10.139 -2.891 1.00 0.59 C ATOM 377 C GLU A 43 6.930 -11.407 -2.049 1.00 0.63 C ATOM 378 O GLU A 43 6.031 -12.248 -2.099 1.00 0.75 O ATOM 379 CB GLU A 43 7.905 -10.231 -4.026 1.00 0.71 C ATOM 380 CG GLU A 43 7.450 -11.102 -5.185 1.00 0.87 C ATOM 381 CD GLU A 43 6.170 -10.593 -5.811 1.00 1.66 C ATOM 382 OE1 GLU A 43 6.235 -9.681 -6.662 1.00 2.36 O ATOM 383 OE2 GLU A 43 5.086 -11.095 -5.450 1.00 2.41 O ATOM 0 H GLU A 43 8.006 -8.483 -2.299 1.00 0.45 H new ATOM 0 HA GLU A 43 5.893 -10.023 -3.331 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.115 -9.228 -4.397 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.840 -10.627 -3.630 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.234 -11.137 -5.941 1.00 0.87 H new ATOM 0 HG3 GLU A 43 7.300 -12.123 -4.834 1.00 0.87 H new ATOM 390 N LYS A 44 7.989 -11.512 -1.247 1.00 0.60 N ATOM 391 CA LYS A 44 8.169 -12.640 -0.340 1.00 0.70 C ATOM 392 C LYS A 44 7.136 -12.620 0.780 1.00 0.66 C ATOM 393 O LYS A 44 6.805 -13.656 1.352 1.00 0.75 O ATOM 394 CB LYS A 44 9.571 -12.624 0.253 1.00 0.81 C ATOM 395 CG LYS A 44 10.652 -12.868 -0.777 1.00 1.39 C ATOM 396 CD LYS A 44 12.003 -13.038 -0.121 1.00 2.35 C ATOM 397 CE LYS A 44 13.066 -13.437 -1.131 1.00 3.19 C ATOM 398 NZ LYS A 44 12.778 -14.760 -1.745 1.00 3.63 N ATOM 0 H LYS A 44 8.740 -10.822 -1.209 1.00 0.60 H new ATOM 0 HA LYS A 44 8.032 -13.555 -0.917 1.00 0.70 H new ATOM 0 HB2 LYS A 44 9.745 -11.661 0.733 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.639 -13.385 1.030 1.00 0.81 H new ATOM 0 HG2 LYS A 44 10.411 -13.759 -1.357 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.687 -12.033 -1.476 1.00 1.39 H new ATOM 0 HD2 LYS A 44 12.293 -12.106 0.365 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.937 -13.797 0.659 1.00 2.35 H new ATOM 0 HE2 LYS A 44 13.127 -12.680 -1.912 1.00 3.19 H new ATOM 0 HE3 LYS A 44 14.039 -13.468 -0.641 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.644 -15.136 -2.182 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 12.446 -15.418 -1.011 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 12.042 -14.652 -2.472 1.00 3.63 H new ATOM 412 N ALA A 45 6.626 -11.435 1.081 1.00 0.57 N ATOM 413 CA ALA A 45 5.616 -11.277 2.117 1.00 0.59 C ATOM 414 C ALA A 45 4.224 -11.605 1.577 1.00 0.59 C ATOM 415 O ALA A 45 3.228 -11.505 2.295 1.00 0.66 O ATOM 416 CB ALA A 45 5.656 -9.862 2.672 1.00 0.56 C ATOM 0 H ALA A 45 6.896 -10.566 0.621 1.00 0.57 H new ATOM 0 HA ALA A 45 5.835 -11.977 2.923 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.897 -9.753 3.447 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.640 -9.666 3.098 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.460 -9.151 1.870 1.00 0.56 H new ATOM 422 N ASN A 46 4.181 -12.002 0.305 1.00 0.56 N ATOM 423 CA ASN A 46 2.938 -12.356 -0.386 1.00 0.60 C ATOM 424 C ASN A 46 2.007 -11.160 -0.473 1.00 0.54 C ATOM 425 O ASN A 46 0.784 -11.304 -0.495 1.00 0.63 O ATOM 426 CB ASN A 46 2.221 -13.536 0.289 1.00 0.76 C ATOM 427 CG ASN A 46 3.060 -14.799 0.319 1.00 1.41 C ATOM 428 OD1 ASN A 46 3.103 -15.556 -0.650 1.00 2.03 O ATOM 429 ND2 ASN A 46 3.713 -15.051 1.443 1.00 2.18 N ATOM 0 H ASN A 46 5.012 -12.088 -0.280 1.00 0.56 H new ATOM 0 HA ASN A 46 3.212 -12.665 -1.395 1.00 0.60 H new ATOM 0 HB2 ASN A 46 1.956 -13.258 1.309 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.289 -13.738 -0.239 1.00 0.76 H new ATOM 0 HD21 ASN A 46 4.276 -15.897 1.527 1.00 2.18 H new ATOM 0 HD22 ASN A 46 3.653 -14.399 2.225 1.00 2.18 H new ATOM 436 N LEU A 47 2.594 -9.978 -0.526 1.00 0.44 N ATOM 437 CA LEU A 47 1.828 -8.761 -0.681 1.00 0.42 C ATOM 438 C LEU A 47 1.751 -8.407 -2.155 1.00 0.41 C ATOM 439 O LEU A 47 2.773 -8.383 -2.848 1.00 0.58 O ATOM 440 CB LEU A 47 2.474 -7.611 0.092 1.00 0.43 C ATOM 441 CG LEU A 47 2.701 -7.856 1.587 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.341 -6.635 2.225 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.396 -8.193 2.284 1.00 0.59 C ATOM 0 H LEU A 47 3.602 -9.838 -0.463 1.00 0.44 H new ATOM 0 HA LEU A 47 0.826 -8.921 -0.283 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.435 -7.383 -0.369 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.848 -6.726 -0.021 1.00 0.43 H new ATOM 0 HG LEU A 47 3.374 -8.706 1.698 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.498 -6.820 3.288 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.299 -6.434 1.746 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.685 -5.773 2.100 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.583 -8.363 3.344 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.697 -7.365 2.167 1.00 0.59 H new ATOM 0 HD23 LEU A 47 0.970 -9.094 1.842 1.00 0.59 H new ATOM 455 N ILE A 48 0.548 -8.163 -2.643 1.00 0.30 N ATOM 456 CA ILE A 48 0.367 -7.793 -4.036 1.00 0.32 C ATOM 457 C ILE A 48 0.711 -6.320 -4.230 1.00 0.32 C ATOM 458 O ILE A 48 -0.088 -5.432 -3.922 1.00 0.33 O ATOM 459 CB ILE A 48 -1.070 -8.081 -4.521 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.391 -9.569 -4.335 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.233 -7.677 -5.982 1.00 0.43 C ATOM 462 CD1 ILE A 48 -2.786 -9.960 -4.776 1.00 0.53 C ATOM 0 H ILE A 48 -0.314 -8.214 -2.100 1.00 0.30 H new ATOM 0 HA ILE A 48 1.042 -8.402 -4.637 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.768 -7.492 -3.927 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -0.666 -10.159 -4.895 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.268 -9.828 -3.283 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.252 -7.887 -6.306 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.031 -6.611 -6.090 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.533 -8.243 -6.596 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -2.934 -11.027 -4.612 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.521 -9.399 -4.199 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -2.909 -9.736 -5.836 1.00 0.53 H new ATOM 474 N LEU A 49 1.923 -6.076 -4.705 1.00 0.34 N ATOM 475 CA LEU A 49 2.412 -4.725 -4.917 1.00 0.35 C ATOM 476 C LEU A 49 1.960 -4.203 -6.269 1.00 0.35 C ATOM 477 O LEU A 49 2.086 -4.888 -7.283 1.00 0.44 O ATOM 478 CB LEU A 49 3.942 -4.691 -4.838 1.00 0.44 C ATOM 479 CG LEU A 49 4.578 -3.312 -5.053 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.321 -2.403 -3.864 1.00 0.90 C ATOM 481 CD2 LEU A 49 6.069 -3.443 -5.307 1.00 1.14 C ATOM 0 H LEU A 49 2.591 -6.806 -4.953 1.00 0.34 H new ATOM 0 HA LEU A 49 2.001 -4.088 -4.134 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.248 -5.066 -3.861 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.343 -5.378 -5.583 1.00 0.44 H new ATOM 0 HG LEU A 49 4.115 -2.862 -5.932 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.783 -1.432 -4.042 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.247 -2.275 -3.729 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.749 -2.849 -2.966 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.501 -2.454 -5.457 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.544 -3.920 -4.449 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.234 -4.050 -6.197 1.00 1.14 H new ATOM 493 N ILE A 50 1.423 -2.998 -6.276 1.00 0.33 N ATOM 494 CA ILE A 50 1.033 -2.346 -7.511 1.00 0.34 C ATOM 495 C ILE A 50 1.692 -0.977 -7.592 1.00 0.32 C ATOM 496 O ILE A 50 1.317 -0.052 -6.869 1.00 0.36 O ATOM 497 CB ILE A 50 -0.502 -2.193 -7.618 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.192 -3.554 -7.454 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.882 -1.564 -8.954 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.701 -3.466 -7.359 1.00 0.94 C ATOM 0 H ILE A 50 1.246 -2.448 -5.435 1.00 0.33 H new ATOM 0 HA ILE A 50 1.364 -2.971 -8.341 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.839 -1.536 -6.816 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -0.927 -4.190 -8.299 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.808 -4.040 -6.557 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.966 -1.463 -9.014 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.421 -0.580 -9.037 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.531 -2.199 -9.768 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -3.117 -4.467 -7.245 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -2.976 -2.858 -6.497 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -3.097 -3.010 -8.266 1.00 0.94 H new ATOM 512 N THR A 51 2.699 -0.864 -8.443 1.00 0.32 N ATOM 513 CA THR A 51 3.402 0.393 -8.624 1.00 0.35 C ATOM 514 C THR A 51 2.508 1.421 -9.306 1.00 0.38 C ATOM 515 O THR A 51 1.857 1.128 -10.310 1.00 0.55 O ATOM 516 CB THR A 51 4.692 0.191 -9.439 1.00 0.47 C ATOM 517 OG1 THR A 51 4.446 -0.703 -10.534 1.00 1.17 O ATOM 518 CG2 THR A 51 5.805 -0.364 -8.561 1.00 0.89 C ATOM 0 H THR A 51 3.047 -1.630 -9.020 1.00 0.32 H new ATOM 0 HA THR A 51 3.672 0.767 -7.636 1.00 0.35 H new ATOM 0 HB THR A 51 5.007 1.160 -9.827 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.271 -0.825 -11.049 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.707 -0.499 -9.158 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.009 0.333 -7.748 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.497 -1.324 -8.147 1.00 0.89 H new ATOM 526 N VAL A 52 2.465 2.615 -8.740 1.00 0.39 N ATOM 527 CA VAL A 52 1.596 3.671 -9.229 1.00 0.49 C ATOM 528 C VAL A 52 2.158 5.032 -8.832 1.00 0.58 C ATOM 529 O VAL A 52 2.568 5.226 -7.691 1.00 0.80 O ATOM 530 CB VAL A 52 0.157 3.497 -8.670 1.00 0.59 C ATOM 531 CG1 VAL A 52 0.180 3.251 -7.168 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.714 4.704 -8.989 1.00 1.04 C ATOM 0 H VAL A 52 3.029 2.879 -7.932 1.00 0.39 H new ATOM 0 HA VAL A 52 1.550 3.610 -10.316 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.276 2.625 -9.160 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -0.840 3.133 -6.803 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.748 2.345 -6.956 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.648 4.099 -6.668 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.714 4.549 -8.583 1.00 1.04 H new ATOM 0 HG22 VAL A 52 -0.276 5.597 -8.543 1.00 1.04 H new ATOM 0 HG23 VAL A 52 -0.777 4.832 -10.070 1.00 1.04 H new ATOM 542 N GLY A 53 2.213 5.967 -9.768 1.00 0.66 N ATOM 543 CA GLY A 53 2.677 7.287 -9.419 1.00 0.75 C ATOM 544 C GLY A 53 1.729 8.372 -9.873 1.00 0.81 C ATOM 545 O GLY A 53 1.827 8.855 -11.003 1.00 1.24 O ATOM 0 H GLY A 53 1.949 5.837 -10.745 1.00 0.66 H new ATOM 0 HA2 GLY A 53 2.805 7.350 -8.338 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.657 7.454 -9.866 1.00 0.75 H new ATOM 549 N ASP A 54 0.838 8.754 -8.959 1.00 0.71 N ATOM 550 CA ASP A 54 -0.100 9.866 -9.120 1.00 0.82 C ATOM 551 C ASP A 54 -1.216 9.681 -8.098 1.00 0.70 C ATOM 552 O ASP A 54 -1.639 8.554 -7.850 1.00 0.64 O ATOM 553 CB ASP A 54 -0.700 9.920 -10.530 1.00 1.08 C ATOM 554 CG ASP A 54 -1.646 11.085 -10.714 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.175 12.208 -10.999 1.00 1.75 O ATOM 556 OD2 ASP A 54 -2.867 10.887 -10.578 1.00 1.98 O ATOM 0 H ASP A 54 0.746 8.284 -8.058 1.00 0.71 H new ATOM 0 HA ASP A 54 0.435 10.803 -8.966 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.105 9.991 -11.261 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -1.231 8.990 -10.731 1.00 1.08 H new ATOM 561 N GLU A 55 -1.679 10.772 -7.497 1.00 0.80 N ATOM 562 CA GLU A 55 -2.651 10.693 -6.412 1.00 0.79 C ATOM 563 C GLU A 55 -4.010 10.261 -6.934 1.00 0.69 C ATOM 564 O GLU A 55 -4.767 9.584 -6.241 1.00 0.71 O ATOM 565 CB GLU A 55 -2.773 12.042 -5.715 1.00 0.95 C ATOM 566 CG GLU A 55 -1.429 12.628 -5.312 1.00 0.90 C ATOM 567 CD GLU A 55 -1.553 13.940 -4.569 1.00 1.53 C ATOM 568 OE1 GLU A 55 -1.690 14.990 -5.228 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.500 13.930 -3.323 1.00 2.21 O ATOM 0 H GLU A 55 -1.397 11.721 -7.743 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.300 9.949 -5.697 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.284 12.741 -6.377 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.395 11.931 -4.827 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -0.900 11.911 -4.685 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -0.823 12.779 -6.205 1.00 0.90 H new ATOM 576 N GLU A 56 -4.311 10.645 -8.163 1.00 0.70 N ATOM 577 CA GLU A 56 -5.566 10.274 -8.783 1.00 0.70 C ATOM 578 C GLU A 56 -5.506 8.831 -9.241 1.00 0.66 C ATOM 579 O GLU A 56 -6.475 8.083 -9.103 1.00 0.67 O ATOM 580 CB GLU A 56 -5.871 11.186 -9.966 1.00 0.82 C ATOM 581 CG GLU A 56 -5.960 12.653 -9.594 1.00 0.93 C ATOM 582 CD GLU A 56 -6.289 13.522 -10.784 1.00 1.33 C ATOM 583 OE1 GLU A 56 -5.354 13.952 -11.492 1.00 2.04 O ATOM 584 OE2 GLU A 56 -7.486 13.769 -11.026 1.00 1.89 O ATOM 0 H GLU A 56 -3.701 11.214 -8.750 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.364 10.385 -8.049 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -5.096 11.058 -10.722 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.813 10.877 -10.419 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -6.722 12.786 -8.827 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.013 12.975 -9.161 1.00 0.93 H new ATOM 591 N GLU A 57 -4.355 8.441 -9.774 1.00 0.65 N ATOM 592 CA GLU A 57 -4.151 7.075 -10.224 1.00 0.65 C ATOM 593 C GLU A 57 -3.993 6.131 -9.044 1.00 0.55 C ATOM 594 O GLU A 57 -4.201 4.927 -9.175 1.00 0.52 O ATOM 595 CB GLU A 57 -2.951 6.978 -11.159 1.00 0.73 C ATOM 596 CG GLU A 57 -3.143 7.765 -12.446 1.00 1.11 C ATOM 597 CD GLU A 57 -4.372 7.322 -13.215 1.00 1.52 C ATOM 598 OE1 GLU A 57 -4.255 6.400 -14.051 1.00 2.13 O ATOM 599 OE2 GLU A 57 -5.464 7.888 -12.990 1.00 2.16 O ATOM 0 H GLU A 57 -3.550 9.053 -9.904 1.00 0.65 H new ATOM 0 HA GLU A 57 -5.037 6.773 -10.782 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -2.063 7.344 -10.643 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -2.769 5.931 -11.402 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -3.227 8.826 -12.211 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -2.261 7.647 -13.076 1.00 1.11 H new ATOM 606 N LEU A 58 -3.635 6.678 -7.892 1.00 0.52 N ATOM 607 CA LEU A 58 -3.609 5.897 -6.668 1.00 0.48 C ATOM 608 C LEU A 58 -5.007 5.378 -6.368 1.00 0.46 C ATOM 609 O LEU A 58 -5.182 4.216 -6.016 1.00 0.44 O ATOM 610 CB LEU A 58 -3.091 6.731 -5.492 1.00 0.52 C ATOM 611 CG LEU A 58 -3.109 6.022 -4.133 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.272 4.751 -4.173 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.611 6.953 -3.038 1.00 0.74 C ATOM 0 H LEU A 58 -3.360 7.654 -7.781 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.929 5.056 -6.806 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -2.069 7.041 -5.709 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.690 7.639 -5.419 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.139 5.744 -3.909 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.300 4.266 -3.197 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.674 4.074 -4.927 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.241 5.002 -4.424 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.631 6.432 -2.081 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.590 7.264 -3.261 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.254 7.831 -2.987 1.00 0.74 H new ATOM 625 N LYS A 59 -6.003 6.241 -6.553 1.00 0.52 N ATOM 626 CA LYS A 59 -7.397 5.871 -6.308 1.00 0.57 C ATOM 627 C LYS A 59 -7.834 4.767 -7.249 1.00 0.51 C ATOM 628 O LYS A 59 -8.727 3.977 -6.944 1.00 0.58 O ATOM 629 CB LYS A 59 -8.309 7.083 -6.463 1.00 0.69 C ATOM 630 CG LYS A 59 -7.704 8.346 -5.885 1.00 0.76 C ATOM 631 CD LYS A 59 -8.742 9.421 -5.631 1.00 0.97 C ATOM 632 CE LYS A 59 -9.585 9.730 -6.859 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.786 10.343 -7.951 1.00 2.26 N ATOM 0 H LYS A 59 -5.872 7.201 -6.872 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.473 5.504 -5.284 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -8.524 7.238 -7.520 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.261 6.882 -5.971 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.196 8.107 -4.951 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.948 8.730 -6.570 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -9.395 9.104 -4.818 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -8.242 10.332 -5.301 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -10.046 8.811 -7.221 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -10.394 10.405 -6.581 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -9.425 10.765 -8.654 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -8.169 11.082 -7.557 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -8.203 9.612 -8.407 1.00 2.26 H new ATOM 647 N LYS A 60 -7.194 4.736 -8.387 1.00 0.49 N ATOM 648 CA LYS A 60 -7.432 3.706 -9.384 1.00 0.48 C ATOM 649 C LYS A 60 -6.751 2.401 -8.978 1.00 0.41 C ATOM 650 O LYS A 60 -7.335 1.322 -9.084 1.00 0.41 O ATOM 651 CB LYS A 60 -6.896 4.190 -10.722 1.00 0.58 C ATOM 652 CG LYS A 60 -7.331 5.607 -11.032 1.00 0.72 C ATOM 653 CD LYS A 60 -8.714 5.645 -11.659 1.00 1.19 C ATOM 654 CE LYS A 60 -9.034 7.024 -12.215 1.00 1.91 C ATOM 655 NZ LYS A 60 -8.132 7.402 -13.341 1.00 2.35 N ATOM 0 H LYS A 60 -6.490 5.422 -8.657 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.502 3.514 -9.464 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.807 4.139 -10.716 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -7.242 3.524 -11.513 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -7.331 6.197 -10.115 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.612 6.069 -11.708 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.773 4.906 -12.458 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -9.460 5.369 -10.914 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -10.068 7.044 -12.558 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.948 7.764 -11.419 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -8.574 8.159 -13.900 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -7.224 7.737 -12.961 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -7.969 6.574 -13.948 1.00 2.35 H new ATOM 669 N ALA A 61 -5.520 2.514 -8.494 1.00 0.40 N ATOM 670 CA ALA A 61 -4.746 1.355 -8.071 1.00 0.39 C ATOM 671 C ALA A 61 -5.374 0.697 -6.846 1.00 0.32 C ATOM 672 O ALA A 61 -5.467 -0.529 -6.769 1.00 0.34 O ATOM 673 CB ALA A 61 -3.305 1.758 -7.787 1.00 0.47 C ATOM 0 H ALA A 61 -5.034 3.404 -8.384 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.750 0.626 -8.881 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.738 0.882 -7.472 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.859 2.174 -8.690 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.286 2.507 -6.995 1.00 0.47 H new ATOM 679 N ILE A 62 -5.809 1.518 -5.894 1.00 0.31 N ATOM 680 CA ILE A 62 -6.500 1.017 -4.707 1.00 0.37 C ATOM 681 C ILE A 62 -7.777 0.280 -5.108 1.00 0.36 C ATOM 682 O ILE A 62 -8.082 -0.794 -4.587 1.00 0.38 O ATOM 683 CB ILE A 62 -6.872 2.154 -3.728 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.645 2.980 -3.350 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.508 1.578 -2.471 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.987 4.246 -2.591 1.00 0.53 C ATOM 0 H ILE A 62 -5.696 2.531 -5.920 1.00 0.31 H new ATOM 0 HA ILE A 62 -5.812 0.338 -4.204 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.586 2.807 -4.230 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -4.977 2.369 -2.742 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.100 3.244 -4.256 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.766 2.389 -1.789 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.410 1.029 -2.739 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -6.804 0.904 -1.983 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -5.071 4.786 -2.353 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.630 4.876 -3.205 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.506 3.988 -1.668 1.00 0.53 H new ATOM 698 N LYS A 63 -8.511 0.865 -6.050 1.00 0.37 N ATOM 699 CA LYS A 63 -9.748 0.273 -6.546 1.00 0.40 C ATOM 700 C LYS A 63 -9.466 -1.062 -7.231 1.00 0.35 C ATOM 701 O LYS A 63 -10.228 -2.022 -7.092 1.00 0.40 O ATOM 702 CB LYS A 63 -10.428 1.228 -7.525 1.00 0.49 C ATOM 703 CG LYS A 63 -11.771 0.735 -8.034 1.00 0.59 C ATOM 704 CD LYS A 63 -12.313 1.645 -9.121 1.00 1.21 C ATOM 705 CE LYS A 63 -13.667 1.176 -9.620 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.158 2.009 -10.749 1.00 2.76 N ATOM 0 H LYS A 63 -8.268 1.754 -6.487 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.412 0.096 -5.700 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.567 2.193 -7.038 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.766 1.392 -8.375 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.666 -0.278 -8.423 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.481 0.688 -7.208 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.399 2.661 -8.736 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -11.610 1.678 -9.953 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -13.596 0.136 -9.939 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.387 1.210 -8.803 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -15.085 1.657 -11.062 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -14.249 2.997 -10.437 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.483 1.956 -11.539 1.00 2.76 H new ATOM 720 N LYS A 64 -8.364 -1.107 -7.970 1.00 0.34 N ATOM 721 CA LYS A 64 -7.923 -2.324 -8.635 1.00 0.39 C ATOM 722 C LYS A 64 -7.644 -3.416 -7.604 1.00 0.35 C ATOM 723 O LYS A 64 -7.958 -4.588 -7.820 1.00 0.40 O ATOM 724 CB LYS A 64 -6.659 -2.038 -9.449 1.00 0.51 C ATOM 725 CG LYS A 64 -6.204 -3.195 -10.325 1.00 1.05 C ATOM 726 CD LYS A 64 -4.784 -2.986 -10.828 1.00 1.04 C ATOM 727 CE LYS A 64 -4.641 -1.703 -11.636 1.00 1.59 C ATOM 728 NZ LYS A 64 -5.318 -1.791 -12.958 1.00 2.11 N ATOM 0 H LYS A 64 -7.754 -0.304 -8.124 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.711 -2.668 -9.305 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.837 -1.167 -10.080 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -5.852 -1.776 -8.765 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.258 -4.125 -9.759 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.880 -3.299 -11.173 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.101 -2.956 -9.979 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.490 -3.836 -11.444 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -5.060 -0.871 -11.070 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -3.583 -1.486 -11.785 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -5.194 -0.895 -13.472 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -4.902 -2.568 -13.510 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -6.332 -1.972 -12.817 1.00 2.11 H new ATOM 742 N ALA A 65 -7.056 -3.012 -6.482 1.00 0.30 N ATOM 743 CA ALA A 65 -6.762 -3.926 -5.387 1.00 0.30 C ATOM 744 C ALA A 65 -8.049 -4.458 -4.768 1.00 0.33 C ATOM 745 O ALA A 65 -8.186 -5.660 -4.540 1.00 0.38 O ATOM 746 CB ALA A 65 -5.909 -3.230 -4.336 1.00 0.31 C ATOM 0 H ALA A 65 -6.772 -2.048 -6.308 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.203 -4.773 -5.784 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.696 -3.924 -3.523 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -4.973 -2.901 -4.787 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.447 -2.366 -3.945 1.00 0.31 H new ATOM 752 N ASP A 66 -8.992 -3.555 -4.509 1.00 0.35 N ATOM 753 CA ASP A 66 -10.314 -3.926 -3.993 1.00 0.41 C ATOM 754 C ASP A 66 -10.965 -4.978 -4.883 1.00 0.40 C ATOM 755 O ASP A 66 -11.541 -5.956 -4.399 1.00 0.47 O ATOM 756 CB ASP A 66 -11.215 -2.688 -3.917 1.00 0.48 C ATOM 757 CG ASP A 66 -12.676 -3.029 -3.667 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.103 -3.033 -2.494 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.413 -3.272 -4.651 1.00 1.36 O ATOM 0 H ASP A 66 -8.866 -2.552 -4.648 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.186 -4.343 -2.994 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -10.859 -2.035 -3.120 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.133 -2.128 -4.849 1.00 0.48 H new ATOM 764 N ASP A 67 -10.845 -4.768 -6.187 1.00 0.36 N ATOM 765 CA ASP A 67 -11.428 -5.661 -7.180 1.00 0.38 C ATOM 766 C ASP A 67 -10.864 -7.076 -7.058 1.00 0.40 C ATOM 767 O ASP A 67 -11.599 -8.059 -7.183 1.00 0.48 O ATOM 768 CB ASP A 67 -11.178 -5.107 -8.582 1.00 0.42 C ATOM 769 CG ASP A 67 -11.697 -6.016 -9.674 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.924 -6.043 -9.902 1.00 1.66 O ATOM 771 OD2 ASP A 67 -10.879 -6.703 -10.318 1.00 1.68 O ATOM 0 H ASP A 67 -10.342 -3.975 -6.586 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.502 -5.718 -7.000 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.654 -4.131 -8.672 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.108 -4.954 -8.721 1.00 0.42 H new ATOM 776 N ILE A 68 -9.566 -7.176 -6.799 1.00 0.37 N ATOM 777 CA ILE A 68 -8.917 -8.474 -6.648 1.00 0.41 C ATOM 778 C ILE A 68 -9.249 -9.079 -5.285 1.00 0.41 C ATOM 779 O ILE A 68 -9.575 -10.263 -5.182 1.00 0.47 O ATOM 780 CB ILE A 68 -7.381 -8.365 -6.790 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.008 -7.701 -8.117 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.733 -9.741 -6.685 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.525 -7.430 -8.266 1.00 0.51 C ATOM 0 H ILE A 68 -8.943 -6.376 -6.689 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.295 -9.117 -7.443 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.007 -7.744 -5.976 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.336 -8.339 -8.937 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.551 -6.760 -8.208 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.652 -9.643 -6.787 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -6.967 -10.180 -5.715 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.116 -10.385 -7.477 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.336 -6.959 -9.231 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.194 -6.766 -7.467 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -4.976 -8.370 -8.208 1.00 0.51 H new ATOM 795 N ALA A 69 -9.179 -8.246 -4.248 1.00 0.39 N ATOM 796 CA ALA A 69 -9.441 -8.677 -2.878 1.00 0.43 C ATOM 797 C ALA A 69 -10.787 -9.359 -2.759 1.00 0.47 C ATOM 798 O ALA A 69 -10.891 -10.492 -2.283 1.00 0.53 O ATOM 799 CB ALA A 69 -9.408 -7.487 -1.932 1.00 0.46 C ATOM 0 H ALA A 69 -8.940 -7.258 -4.334 1.00 0.39 H new ATOM 0 HA ALA A 69 -8.660 -9.388 -2.608 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.605 -7.825 -0.915 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.426 -7.016 -1.974 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.169 -6.765 -2.228 1.00 0.46 H new ATOM 805 N LYS A 70 -11.813 -8.663 -3.215 1.00 0.52 N ATOM 806 CA LYS A 70 -13.175 -9.123 -3.057 1.00 0.65 C ATOM 807 C LYS A 70 -13.464 -10.347 -3.900 1.00 0.63 C ATOM 808 O LYS A 70 -14.292 -11.178 -3.532 1.00 0.72 O ATOM 809 CB LYS A 70 -14.146 -8.020 -3.422 1.00 0.87 C ATOM 810 CG LYS A 70 -14.260 -6.947 -2.357 1.00 1.09 C ATOM 811 CD LYS A 70 -15.219 -5.844 -2.765 1.00 1.14 C ATOM 812 CE LYS A 70 -15.628 -5.005 -1.569 1.00 1.14 C ATOM 813 NZ LYS A 70 -14.453 -4.527 -0.795 1.00 1.50 N ATOM 0 H LYS A 70 -11.724 -7.771 -3.701 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.302 -9.398 -2.010 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.829 -7.561 -4.358 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.130 -8.455 -3.597 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -14.600 -7.396 -1.424 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.276 -6.520 -2.165 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -14.749 -5.208 -3.515 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.105 -6.280 -3.227 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -16.210 -4.149 -1.909 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -16.276 -5.593 -0.918 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.777 -3.944 0.003 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -13.920 -5.344 -0.433 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -13.839 -3.958 -1.412 1.00 1.50 H new ATOM 827 N LYS A 71 -12.774 -10.457 -5.023 1.00 0.62 N ATOM 828 CA LYS A 71 -12.984 -11.560 -5.941 1.00 0.76 C ATOM 829 C LYS A 71 -12.803 -12.896 -5.231 1.00 0.83 C ATOM 830 O LYS A 71 -13.501 -13.866 -5.522 1.00 1.03 O ATOM 831 CB LYS A 71 -12.013 -11.458 -7.118 1.00 0.84 C ATOM 832 CG LYS A 71 -12.184 -12.559 -8.148 1.00 1.26 C ATOM 833 CD LYS A 71 -11.135 -12.471 -9.241 1.00 1.71 C ATOM 834 CE LYS A 71 -11.307 -13.579 -10.268 1.00 2.27 C ATOM 835 NZ LYS A 71 -11.228 -14.928 -9.647 1.00 2.71 N ATOM 0 H LYS A 71 -12.061 -9.791 -5.320 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.006 -11.504 -6.316 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.148 -10.493 -7.606 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -10.992 -11.484 -6.738 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -12.118 -13.530 -7.657 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.178 -12.492 -8.591 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.203 -11.502 -9.735 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -10.141 -12.534 -8.799 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -12.269 -13.465 -10.767 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -10.537 -13.486 -11.034 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -11.094 -15.644 -10.389 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -10.425 -14.960 -8.987 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -12.109 -15.125 -9.131 1.00 2.71 H new ATOM 917 N ALA A 77 -10.457 -7.460 3.445 1.00 0.55 N ATOM 918 CA ALA A 77 -9.508 -6.869 2.520 1.00 0.44 C ATOM 919 C ALA A 77 -8.599 -5.900 3.260 1.00 0.37 C ATOM 920 O ALA A 77 -9.060 -4.886 3.790 1.00 0.42 O ATOM 921 CB ALA A 77 -10.232 -6.164 1.383 1.00 0.71 C ATOM 0 HA ALA A 77 -8.898 -7.663 2.089 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -9.502 -5.728 0.701 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -10.848 -6.883 0.843 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.866 -5.375 1.789 1.00 0.71 H new ATOM 927 N LYS A 78 -7.319 -6.221 3.323 1.00 0.35 N ATOM 928 CA LYS A 78 -6.364 -5.371 4.010 1.00 0.37 C ATOM 929 C LYS A 78 -5.300 -4.896 3.039 1.00 0.33 C ATOM 930 O LYS A 78 -4.680 -5.694 2.335 1.00 0.37 O ATOM 931 CB LYS A 78 -5.735 -6.108 5.193 1.00 0.50 C ATOM 932 CG LYS A 78 -6.761 -6.630 6.187 1.00 0.63 C ATOM 933 CD LYS A 78 -6.119 -7.080 7.489 1.00 0.89 C ATOM 934 CE LYS A 78 -5.427 -5.926 8.195 1.00 1.04 C ATOM 935 NZ LYS A 78 -5.128 -6.239 9.615 1.00 1.67 N ATOM 0 H LYS A 78 -6.918 -7.062 2.908 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.889 -4.500 4.402 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -5.143 -6.943 4.819 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -5.049 -5.436 5.708 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -7.493 -5.850 6.395 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -7.303 -7.465 5.743 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -6.880 -7.505 8.144 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -5.396 -7.870 7.286 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -4.500 -5.686 7.674 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -6.059 -5.039 8.145 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -4.656 -5.425 10.058 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -6.014 -6.443 10.120 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.504 -7.069 9.663 1.00 1.67 H new ATOM 949 N ILE A 79 -5.105 -3.592 2.992 1.00 0.29 N ATOM 950 CA ILE A 79 -4.218 -2.990 2.015 1.00 0.29 C ATOM 951 C ILE A 79 -3.221 -2.063 2.700 1.00 0.29 C ATOM 952 O ILE A 79 -3.538 -1.432 3.707 1.00 0.40 O ATOM 953 CB ILE A 79 -5.026 -2.196 0.960 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.075 -3.096 0.297 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.100 -1.601 -0.092 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.975 -2.368 -0.679 1.00 0.49 C ATOM 0 H ILE A 79 -5.552 -2.926 3.623 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.674 -3.791 1.514 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.539 -1.380 1.469 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.567 -3.906 -0.226 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.690 -3.554 1.072 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.689 -1.047 -0.823 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.390 -0.927 0.388 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.558 -2.402 -0.594 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.690 -3.070 -1.107 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.512 -1.576 -0.157 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.371 -1.934 -1.476 1.00 0.49 H new ATOM 968 N LEU A 80 -2.013 -2.011 2.170 1.00 0.23 N ATOM 969 CA LEU A 80 -1.002 -1.078 2.635 1.00 0.28 C ATOM 970 C LEU A 80 -0.783 -0.027 1.550 1.00 0.30 C ATOM 971 O LEU A 80 -0.684 -0.363 0.376 1.00 0.45 O ATOM 972 CB LEU A 80 0.306 -1.838 2.922 1.00 0.40 C ATOM 973 CG LEU A 80 1.284 -1.197 3.927 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.481 -2.108 4.141 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.763 0.168 3.462 1.00 1.40 C ATOM 0 H LEU A 80 -1.705 -2.613 1.406 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.325 -0.591 3.555 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.047 -2.831 3.289 1.00 0.40 H new ATOM 0 HB3 LEU A 80 0.832 -1.974 1.977 1.00 0.40 H new ATOM 0 HG LEU A 80 0.746 -1.063 4.865 1.00 0.57 H new ATOM 0 HD11 LEU A 80 3.166 -1.647 4.852 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.143 -3.067 4.533 1.00 1.22 H new ATOM 0 HD13 LEU A 80 2.994 -2.264 3.192 1.00 1.22 H new ATOM 0 HD21 LEU A 80 2.450 0.583 4.200 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.275 0.067 2.505 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.908 0.834 3.347 1.00 1.40 H new ATOM 987 N ILE A 81 -0.747 1.240 1.926 1.00 0.27 N ATOM 988 CA ILE A 81 -0.393 2.292 0.983 1.00 0.27 C ATOM 989 C ILE A 81 0.894 2.958 1.430 1.00 0.27 C ATOM 990 O ILE A 81 0.907 3.742 2.374 1.00 0.33 O ATOM 991 CB ILE A 81 -1.510 3.347 0.826 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.759 2.701 0.224 1.00 0.28 C ATOM 993 CG2 ILE A 81 -1.039 4.502 -0.050 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.942 3.637 0.120 1.00 0.38 C ATOM 0 H ILE A 81 -0.956 1.566 2.870 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.256 1.827 0.007 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.755 3.742 1.812 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.518 2.324 -0.770 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -3.041 1.841 0.832 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.840 5.234 -0.148 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.170 4.974 0.407 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.770 4.124 -1.036 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.789 3.106 -0.316 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.211 3.995 1.114 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.680 4.485 -0.513 1.00 0.38 H new ATOM 1006 N LEU A 82 1.976 2.615 0.760 1.00 0.27 N ATOM 1007 CA LEU A 82 3.296 3.081 1.133 1.00 0.31 C ATOM 1008 C LEU A 82 3.726 4.217 0.216 1.00 0.34 C ATOM 1009 O LEU A 82 4.034 4.000 -0.949 1.00 0.59 O ATOM 1010 CB LEU A 82 4.283 1.918 1.037 1.00 0.43 C ATOM 1011 CG LEU A 82 5.629 2.138 1.713 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.451 2.291 3.216 1.00 1.61 C ATOM 1013 CD2 LEU A 82 6.560 0.984 1.400 1.00 1.08 C ATOM 0 H LEU A 82 1.965 2.006 -0.058 1.00 0.27 H new ATOM 0 HA LEU A 82 3.277 3.454 2.157 1.00 0.31 H new ATOM 0 HB2 LEU A 82 3.818 1.034 1.473 1.00 0.43 H new ATOM 0 HB3 LEU A 82 4.457 1.699 -0.017 1.00 0.43 H new ATOM 0 HG LEU A 82 6.071 3.057 1.328 1.00 0.76 H new ATOM 0 HD11 LEU A 82 6.423 2.447 3.683 1.00 1.61 H new ATOM 0 HD12 LEU A 82 4.808 3.147 3.421 1.00 1.61 H new ATOM 0 HD13 LEU A 82 4.994 1.388 3.622 1.00 1.61 H new ATOM 0 HD21 LEU A 82 7.521 1.149 1.887 1.00 1.08 H new ATOM 0 HD22 LEU A 82 6.123 0.055 1.765 1.00 1.08 H new ATOM 0 HD23 LEU A 82 6.707 0.917 0.322 1.00 1.08 H new ATOM 1025 N LEU A 83 3.739 5.427 0.735 1.00 0.35 N ATOM 1026 CA LEU A 83 4.026 6.593 -0.084 1.00 0.42 C ATOM 1027 C LEU A 83 5.003 7.539 0.596 1.00 0.44 C ATOM 1028 O LEU A 83 5.258 7.432 1.794 1.00 0.55 O ATOM 1029 CB LEU A 83 2.722 7.335 -0.421 1.00 0.45 C ATOM 1030 CG LEU A 83 1.631 7.317 0.664 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.078 8.054 1.915 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.343 7.921 0.127 1.00 1.13 C ATOM 0 H LEU A 83 3.555 5.632 1.717 1.00 0.35 H new ATOM 0 HA LEU A 83 4.494 6.242 -1.004 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.966 8.374 -0.644 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.307 6.903 -1.331 1.00 0.45 H new ATOM 0 HG LEU A 83 1.449 6.277 0.937 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.283 8.021 2.660 1.00 1.17 H new ATOM 0 HD12 LEU A 83 2.972 7.578 2.317 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.300 9.092 1.666 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.420 7.902 0.905 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.524 8.952 -0.178 1.00 1.13 H new ATOM 0 HD23 LEU A 83 0.000 7.343 -0.731 1.00 1.13 H new ATOM 1044 N GLU A 84 5.568 8.449 -0.181 1.00 0.43 N ATOM 1045 CA GLU A 84 6.334 9.540 0.384 1.00 0.45 C ATOM 1046 C GLU A 84 5.477 10.798 0.335 1.00 0.47 C ATOM 1047 O GLU A 84 5.341 11.422 -0.717 1.00 0.54 O ATOM 1048 CB GLU A 84 7.632 9.737 -0.407 1.00 0.55 C ATOM 1049 CG GLU A 84 8.536 10.830 0.141 1.00 1.29 C ATOM 1050 CD GLU A 84 9.804 10.995 -0.673 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.771 11.704 -1.701 1.00 1.94 O ATOM 1052 OE2 GLU A 84 10.843 10.416 -0.295 1.00 2.04 O ATOM 0 H GLU A 84 5.509 8.451 -1.199 1.00 0.43 H new ATOM 0 HA GLU A 84 6.604 9.319 1.417 1.00 0.45 H new ATOM 0 HB2 GLU A 84 8.183 8.797 -0.419 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.382 9.973 -1.441 1.00 0.55 H new ATOM 0 HG2 GLU A 84 7.992 11.774 0.156 1.00 1.29 H new ATOM 0 HG3 GLU A 84 8.798 10.597 1.173 1.00 1.29 H new ATOM 1059 N LYS A 85 4.931 11.165 1.488 1.00 0.45 N ATOM 1060 CA LYS A 85 3.991 12.282 1.612 1.00 0.56 C ATOM 1061 C LYS A 85 3.748 12.589 3.082 1.00 0.53 C ATOM 1062 O LYS A 85 4.054 11.767 3.946 1.00 0.53 O ATOM 1063 CB LYS A 85 2.634 11.942 0.968 1.00 0.74 C ATOM 1064 CG LYS A 85 2.571 12.160 -0.531 1.00 1.00 C ATOM 1065 CD LYS A 85 1.196 11.837 -1.086 1.00 0.91 C ATOM 1066 CE LYS A 85 1.121 12.133 -2.573 1.00 1.66 C ATOM 1067 NZ LYS A 85 1.361 13.571 -2.865 1.00 2.02 N ATOM 0 H LYS A 85 5.127 10.695 2.372 1.00 0.45 H new ATOM 0 HA LYS A 85 4.430 13.140 1.103 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.398 10.899 1.180 1.00 0.74 H new ATOM 0 HB3 LYS A 85 1.861 12.547 1.442 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.822 13.196 -0.759 1.00 1.00 H new ATOM 0 HG3 LYS A 85 3.318 11.536 -1.022 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.967 10.786 -0.910 1.00 0.91 H new ATOM 0 HD3 LYS A 85 0.442 12.420 -0.558 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.857 11.527 -3.101 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.140 11.844 -2.952 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 0.465 14.025 -3.133 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 1.746 14.037 -2.019 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 2.040 13.658 -3.648 1.00 2.02 H new ATOM 1081 N PRO A 86 3.212 13.774 3.396 1.00 0.60 N ATOM 1082 CA PRO A 86 2.724 14.083 4.727 1.00 0.62 C ATOM 1083 C PRO A 86 1.299 13.596 4.900 1.00 0.61 C ATOM 1084 O PRO A 86 0.390 14.023 4.186 1.00 0.68 O ATOM 1085 CB PRO A 86 2.795 15.616 4.804 1.00 0.74 C ATOM 1086 CG PRO A 86 3.212 16.088 3.441 1.00 0.85 C ATOM 1087 CD PRO A 86 3.057 14.923 2.502 1.00 0.74 C ATOM 0 HA PRO A 86 3.305 13.600 5.512 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.829 16.036 5.082 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.511 15.934 5.562 1.00 0.74 H new ATOM 0 HG2 PRO A 86 2.595 16.927 3.119 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.244 16.438 3.454 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.085 14.926 2.009 1.00 0.74 H new ATOM 0 HD3 PRO A 86 3.813 14.931 1.717 1.00 0.74 H new ATOM 1095 N VAL A 87 1.112 12.693 5.843 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.171 12.054 6.022 1.00 0.62 C ATOM 1097 C VAL A 87 -0.754 12.363 7.389 1.00 0.62 C ATOM 1098 O VAL A 87 -0.131 12.100 8.418 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.064 10.527 5.869 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -1.438 9.905 5.882 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.680 10.150 4.598 1.00 0.88 C ATOM 0 H VAL A 87 1.834 12.387 6.495 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.827 12.451 5.247 1.00 0.62 H new ATOM 0 HB VAL A 87 0.506 10.141 6.714 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -1.349 8.824 5.773 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.933 10.135 6.826 1.00 1.17 H new ATOM 0 HG13 VAL A 87 -2.027 10.306 5.057 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.739 9.064 4.519 1.00 0.88 H new ATOM 0 HG22 VAL A 87 0.149 10.548 3.734 1.00 0.88 H new ATOM 0 HG23 VAL A 87 1.687 10.566 4.629 1.00 0.88 H new ATOM 1111 N SER A 88 -1.940 12.934 7.393 1.00 0.69 N ATOM 1112 CA SER A 88 -2.672 13.151 8.622 1.00 0.76 C ATOM 1113 C SER A 88 -3.740 12.069 8.783 1.00 0.72 C ATOM 1114 O SER A 88 -4.134 11.460 7.788 1.00 0.69 O ATOM 1115 CB SER A 88 -3.304 14.544 8.609 1.00 0.92 C ATOM 1116 OG SER A 88 -2.318 15.543 8.401 1.00 1.44 O ATOM 0 H SER A 88 -2.420 13.258 6.553 1.00 0.69 H new ATOM 0 HA SER A 88 -1.990 13.091 9.470 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.056 14.600 7.822 1.00 0.92 H new ATOM 0 HB3 SER A 88 -3.817 14.724 9.554 1.00 0.92 H new ATOM 0 HG SER A 88 -2.743 16.426 8.394 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.202 11.786 10.014 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.229 10.763 10.266 1.00 0.79 C ATOM 1124 C PRO A 89 -6.405 10.832 9.285 1.00 0.67 C ATOM 1125 O PRO A 89 -6.916 9.802 8.836 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.697 11.092 11.681 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.497 11.671 12.343 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.743 12.416 11.270 1.00 0.92 C ATOM 0 HA PRO A 89 -4.833 9.755 10.144 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.526 11.800 11.671 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.046 10.200 12.201 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.785 12.341 13.153 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.878 10.888 12.781 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.969 13.482 11.289 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.665 12.317 11.396 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.816 12.047 8.939 1.00 0.71 N ATOM 1137 CA GLU A 90 -7.954 12.245 8.047 1.00 0.72 C ATOM 1138 C GLU A 90 -7.656 11.766 6.627 1.00 0.64 C ATOM 1139 O GLU A 90 -8.571 11.408 5.888 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.372 13.716 8.028 1.00 0.87 C ATOM 1141 CG GLU A 90 -8.994 14.186 9.334 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.233 13.401 9.705 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.343 13.803 9.295 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -10.108 12.375 10.407 1.00 2.37 O ATOM 0 H GLU A 90 -6.379 12.910 9.262 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.776 11.644 8.435 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.499 14.331 7.808 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.084 13.873 7.218 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -8.259 14.098 10.134 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.249 15.242 9.251 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.381 11.745 6.254 1.00 0.62 N ATOM 1152 CA TYR A 91 -5.984 11.297 4.923 1.00 0.62 C ATOM 1153 C TYR A 91 -6.049 9.779 4.846 1.00 0.52 C ATOM 1154 O TYR A 91 -6.409 9.214 3.814 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.570 11.775 4.588 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.207 11.634 3.126 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.714 12.516 2.182 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.355 10.627 2.689 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -4.387 12.398 0.845 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.022 10.503 1.355 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.539 11.391 0.437 1.00 2.89 C ATOM 1162 OH TYR A 91 -3.210 11.268 -0.894 1.00 3.78 O ATOM 0 H TYR A 91 -5.606 12.032 6.852 1.00 0.62 H new ATOM 0 HA TYR A 91 -6.674 11.725 4.196 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.472 12.821 4.878 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -3.855 11.211 5.186 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -5.376 13.309 2.498 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -2.946 9.929 3.405 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -4.794 13.091 0.123 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.359 9.714 1.032 1.00 3.00 H new ATOM 0 HH TYR A 91 -2.602 10.508 -1.012 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.690 9.124 5.943 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.821 7.682 6.051 1.00 0.42 C ATOM 1174 C GLU A 92 -7.277 7.270 5.859 1.00 0.42 C ATOM 1175 O GLU A 92 -7.582 6.372 5.075 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.317 7.219 7.414 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.382 5.718 7.602 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.896 5.281 8.964 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.734 5.138 9.880 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.675 5.077 9.128 1.00 1.14 O ATOM 0 H GLU A 92 -5.304 9.574 6.773 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.221 7.211 5.272 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.286 7.549 7.543 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.906 7.701 8.194 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.410 5.382 7.462 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.781 5.233 6.833 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.171 7.958 6.559 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.599 7.698 6.455 1.00 0.54 C ATOM 1189 C LYS A 93 -10.115 8.152 5.093 1.00 0.53 C ATOM 1190 O LYS A 93 -11.126 7.660 4.609 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.346 8.408 7.596 1.00 0.69 C ATOM 1192 CG LYS A 93 -11.866 8.274 7.545 1.00 1.51 C ATOM 1193 CD LYS A 93 -12.331 6.822 7.585 1.00 2.25 C ATOM 1194 CE LYS A 93 -11.940 6.122 8.878 1.00 2.80 C ATOM 1195 NZ LYS A 93 -12.465 4.729 8.931 1.00 3.25 N ATOM 0 H LYS A 93 -7.928 8.705 7.209 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.779 6.627 6.545 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.992 8.010 8.547 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.088 9.467 7.578 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.303 8.814 8.385 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -12.238 8.745 6.635 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -13.414 6.787 7.470 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -11.903 6.283 6.740 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -10.854 6.105 8.969 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -12.322 6.687 9.728 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -11.880 4.162 9.577 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -13.447 4.741 9.273 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -12.435 4.310 7.979 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.402 9.084 4.477 1.00 0.54 N ATOM 1210 CA LYS A 94 -9.734 9.544 3.136 1.00 0.59 C ATOM 1211 C LYS A 94 -9.558 8.403 2.137 1.00 0.52 C ATOM 1212 O LYS A 94 -10.468 8.084 1.377 1.00 0.57 O ATOM 1213 CB LYS A 94 -8.844 10.732 2.749 1.00 0.67 C ATOM 1214 CG LYS A 94 -9.116 11.290 1.360 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.489 11.938 1.268 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.573 13.219 2.088 1.00 1.97 C ATOM 1217 NZ LYS A 94 -9.585 14.237 1.643 1.00 2.44 N ATOM 0 H LYS A 94 -8.586 9.538 4.887 1.00 0.54 H new ATOM 0 HA LYS A 94 -10.774 9.869 3.120 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -8.981 11.528 3.481 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -7.800 10.423 2.806 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -8.351 12.024 1.107 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -9.043 10.488 0.626 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -10.716 12.160 0.225 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -11.246 11.235 1.616 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -11.578 13.633 2.010 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -10.404 12.987 3.140 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -9.847 15.167 2.028 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -8.638 13.975 1.985 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -9.577 14.282 0.604 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.389 7.777 2.168 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.089 6.672 1.264 1.00 0.45 C ATOM 1233 C LEU A 95 -8.864 5.419 1.666 1.00 0.39 C ATOM 1234 O LEU A 95 -9.269 4.627 0.816 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.582 6.401 1.243 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.725 7.578 0.759 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.249 7.216 0.795 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.132 8.000 -0.645 1.00 1.12 C ATOM 0 H LEU A 95 -7.632 8.015 2.809 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.403 6.950 0.258 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.262 6.126 2.248 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.390 5.541 0.601 1.00 0.46 H new ATOM 0 HG LEU A 95 -5.892 8.418 1.433 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -3.658 8.064 0.448 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -3.960 6.966 1.816 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.069 6.358 0.147 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -5.511 8.836 -0.968 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -5.998 7.163 -1.330 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.179 8.304 -0.644 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.087 5.263 2.967 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.885 4.157 3.488 1.00 0.40 C ATOM 1252 C GLN A 96 -11.351 4.352 3.095 1.00 0.45 C ATOM 1253 O GLN A 96 -12.127 3.402 3.046 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.716 4.083 5.016 1.00 0.53 C ATOM 1255 CG GLN A 96 -10.226 2.804 5.678 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.698 2.866 6.042 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -12.243 3.939 6.294 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -12.346 1.715 6.098 1.00 2.20 N ATOM 0 H GLN A 96 -8.724 5.892 3.684 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.545 3.214 3.061 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.658 4.195 5.252 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.234 4.932 5.462 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.060 1.963 5.005 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.643 2.611 6.579 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.860 0.845 5.882 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.332 1.697 6.357 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.721 5.597 2.813 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.069 5.921 2.354 1.00 0.64 C ATOM 1269 C LYS A 97 -13.237 5.633 0.858 1.00 0.65 C ATOM 1270 O LYS A 97 -14.343 5.347 0.391 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.380 7.393 2.640 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.786 7.819 2.258 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.010 9.296 2.536 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.414 9.727 2.145 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.456 8.995 2.912 1.00 2.87 N ATOM 0 H LYS A 97 -11.102 6.404 2.895 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.769 5.288 2.899 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.231 7.584 3.703 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -12.665 8.015 2.101 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -14.955 7.616 1.200 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.512 7.228 2.816 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -14.848 9.497 3.595 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -14.279 9.887 1.984 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -16.525 10.798 2.314 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -16.562 9.556 1.079 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.379 9.453 2.768 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.503 8.010 2.581 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.216 9.009 3.924 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.145 5.714 0.107 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.198 5.508 -1.341 1.00 0.68 C ATOM 1291 C TYR A 98 -12.432 4.045 -1.702 1.00 0.64 C ATOM 1292 O TYR A 98 -13.045 3.744 -2.727 1.00 0.73 O ATOM 1293 CB TYR A 98 -10.919 6.008 -2.017 1.00 0.71 C ATOM 1294 CG TYR A 98 -10.934 7.487 -2.338 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -11.738 7.983 -3.357 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.143 8.384 -1.634 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -11.751 9.331 -3.664 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.153 9.732 -1.932 1.00 2.50 C ATOM 1299 CZ TYR A 98 -10.957 10.200 -2.948 1.00 2.73 C ATOM 1300 OH TYR A 98 -10.962 11.541 -3.250 1.00 3.64 O ATOM 0 H TYR A 98 -11.215 5.920 0.472 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.045 6.088 -1.708 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -10.070 5.796 -1.368 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.764 5.447 -2.939 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -12.363 7.304 -3.918 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -9.508 8.021 -0.839 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -12.380 9.701 -4.460 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -9.534 10.416 -1.371 1.00 2.50 H new ATOM 0 HH TYR A 98 -10.348 12.014 -2.650 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.951 3.143 -0.866 1.00 0.56 N ATOM 1311 CA ALA A 99 -12.097 1.717 -1.120 1.00 0.56 C ATOM 1312 C ALA A 99 -12.679 1.020 0.092 1.00 0.52 C ATOM 1313 O ALA A 99 -12.349 1.367 1.223 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.752 1.106 -1.474 1.00 0.59 C ATOM 0 H ALA A 99 -11.455 3.370 -0.004 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.778 1.584 -1.960 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.875 0.039 -1.662 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.357 1.589 -2.368 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -10.057 1.251 -0.647 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.541 0.037 -0.135 1.00 0.54 N ATOM 1321 CA ASP A 100 -14.101 -0.716 0.977 1.00 0.53 C ATOM 1322 C ASP A 100 -13.086 -1.738 1.447 1.00 0.47 C ATOM 1323 O ASP A 100 -12.939 -2.818 0.868 1.00 0.51 O ATOM 1324 CB ASP A 100 -15.405 -1.403 0.554 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.908 -2.408 1.575 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.862 -3.621 1.285 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -16.358 -1.997 2.664 1.00 1.73 O ATOM 0 H ASP A 100 -13.862 -0.252 -1.059 1.00 0.54 H new ATOM 0 HA ASP A 100 -14.331 -0.036 1.797 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -16.171 -0.645 0.391 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.249 -1.909 -0.399 1.00 0.66 H new ATOM 1332 N ALA A 101 -12.407 -1.379 2.517 1.00 0.42 N ATOM 1333 CA ALA A 101 -11.346 -2.182 3.092 1.00 0.39 C ATOM 1334 C ALA A 101 -10.853 -1.515 4.347 1.00 0.37 C ATOM 1335 O ALA A 101 -11.398 -0.496 4.775 1.00 0.50 O ATOM 1336 CB ALA A 101 -10.203 -2.349 2.096 1.00 0.43 C ATOM 0 H ALA A 101 -12.579 -0.508 3.020 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.731 -3.173 3.332 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.415 -2.954 2.544 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.573 -2.842 1.197 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.803 -1.370 1.834 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.822 -2.072 4.929 1.00 0.31 N ATOM 1343 CA GLU A 102 -9.121 -1.391 5.981 1.00 0.31 C ATOM 1344 C GLU A 102 -7.670 -1.195 5.562 1.00 0.29 C ATOM 1345 O GLU A 102 -6.847 -2.110 5.626 1.00 0.36 O ATOM 1346 CB GLU A 102 -9.253 -2.134 7.312 1.00 0.41 C ATOM 1347 CG GLU A 102 -8.675 -3.543 7.338 1.00 0.76 C ATOM 1348 CD GLU A 102 -8.576 -4.080 8.749 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -7.545 -3.839 9.410 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.531 -4.726 9.214 1.00 1.77 O ATOM 0 H GLU A 102 -9.452 -2.992 4.692 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.567 -0.410 6.144 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -8.763 -1.545 8.087 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -10.310 -2.189 7.574 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -9.301 -4.205 6.740 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -7.686 -3.539 6.879 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.375 -0.004 5.073 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.068 0.272 4.516 1.00 0.32 C ATOM 1359 C VAL A 103 -5.160 0.915 5.556 1.00 0.32 C ATOM 1360 O VAL A 103 -5.595 1.722 6.380 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.159 1.162 3.248 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.553 2.590 3.585 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.848 1.147 2.483 1.00 1.05 C ATOM 0 H VAL A 103 -8.022 0.784 5.051 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.634 -0.683 4.219 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.941 0.741 2.617 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.605 3.179 2.669 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.527 2.593 4.074 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.810 3.024 4.254 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -4.936 1.778 1.598 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.050 1.526 3.121 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.616 0.126 2.179 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.905 0.519 5.528 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.906 1.068 6.419 1.00 0.37 C ATOM 1375 C ARG A 104 -1.955 1.931 5.606 1.00 0.33 C ATOM 1376 O ARG A 104 -1.050 1.419 4.946 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.152 -0.073 7.110 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.316 0.353 8.308 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.665 -0.850 8.977 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.642 -1.894 9.285 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.331 -3.138 9.656 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.073 -3.488 9.891 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -2.297 -4.027 9.823 1.00 2.71 N ATOM 0 H ARG A 104 -3.549 -0.191 4.888 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.376 1.680 7.189 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -2.873 -0.823 7.435 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.500 -0.554 6.381 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.547 1.055 7.987 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -1.946 0.877 9.027 1.00 1.23 H new ATOM 0 HD2 ARG A 104 0.107 -1.256 8.323 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.171 -0.532 9.895 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.631 -1.655 9.211 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.675 -2.802 9.789 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.146 -4.443 10.174 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -3.269 -3.759 9.668 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -2.070 -4.980 10.106 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.173 3.237 5.628 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.361 4.135 4.830 1.00 0.31 C ATOM 1399 C VAL A 105 -0.084 4.504 5.592 1.00 0.31 C ATOM 1400 O VAL A 105 -0.138 4.978 6.725 1.00 0.41 O ATOM 1401 CB VAL A 105 -2.138 5.409 4.404 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.463 5.032 3.762 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.367 6.357 5.568 1.00 0.71 C ATOM 0 H VAL A 105 -2.897 3.692 6.184 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.092 3.610 3.913 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.522 5.934 3.674 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.996 5.937 3.469 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.279 4.418 2.881 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -4.066 4.471 4.475 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.914 7.234 5.221 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.945 5.851 6.341 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.406 6.668 5.978 1.00 0.71 H new ATOM 1413 N ARG A 106 1.065 4.249 4.989 1.00 0.31 N ATOM 1414 CA ARG A 106 2.344 4.476 5.654 1.00 0.35 C ATOM 1415 C ARG A 106 3.220 5.397 4.815 1.00 0.29 C ATOM 1416 O ARG A 106 3.195 5.338 3.585 1.00 0.31 O ATOM 1417 CB ARG A 106 3.076 3.148 5.884 1.00 0.46 C ATOM 1418 CG ARG A 106 2.311 2.125 6.718 1.00 0.79 C ATOM 1419 CD ARG A 106 2.231 2.509 8.193 1.00 0.87 C ATOM 1420 NE ARG A 106 1.198 3.508 8.463 1.00 1.30 N ATOM 1421 CZ ARG A 106 0.557 3.623 9.627 1.00 1.70 C ATOM 1422 NH1 ARG A 106 0.845 2.807 10.631 1.00 1.88 N ATOM 1423 NH2 ARG A 106 -0.380 4.551 9.780 1.00 2.63 N ATOM 0 H ARG A 106 1.142 3.884 4.040 1.00 0.31 H new ATOM 0 HA ARG A 106 2.146 4.945 6.618 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.306 2.705 4.915 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.027 3.355 6.374 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.302 2.019 6.319 1.00 0.79 H new ATOM 0 HG3 ARG A 106 2.794 1.152 6.626 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.031 1.616 8.786 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.197 2.896 8.516 1.00 0.87 H new ATOM 0 HE ARG A 106 0.953 4.157 7.715 1.00 1.30 H new ATOM 0 HH11 ARG A 106 1.559 2.088 10.515 1.00 1.88 H new ATOM 0 HH12 ARG A 106 0.353 2.898 11.520 1.00 1.88 H new ATOM 0 HH21 ARG A 106 -0.610 5.176 9.007 1.00 2.63 H new ATOM 0 HH22 ARG A 106 -0.870 4.639 10.670 1.00 2.63 H new ATOM 1437 N THR A 107 3.994 6.242 5.476 1.00 0.34 N ATOM 1438 CA THR A 107 4.868 7.166 4.777 1.00 0.36 C ATOM 1439 C THR A 107 6.332 6.771 4.972 1.00 0.40 C ATOM 1440 O THR A 107 6.720 6.300 6.043 1.00 0.56 O ATOM 1441 CB THR A 107 4.635 8.623 5.245 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.348 9.537 4.407 1.00 0.56 O ATOM 1443 CG2 THR A 107 5.070 8.823 6.690 1.00 0.64 C ATOM 0 H THR A 107 4.034 6.306 6.493 1.00 0.34 H new ATOM 0 HA THR A 107 4.629 7.112 3.715 1.00 0.36 H new ATOM 0 HB THR A 107 3.565 8.819 5.175 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.040 10.451 4.583 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.892 9.857 6.984 1.00 0.64 H new ATOM 0 HG22 THR A 107 4.498 8.158 7.337 1.00 0.64 H new ATOM 0 HG23 THR A 107 6.132 8.597 6.785 1.00 0.64 H new ATOM 1451 N VAL A 108 7.133 6.933 3.926 1.00 0.44 N ATOM 1452 CA VAL A 108 8.551 6.589 3.979 1.00 0.60 C ATOM 1453 C VAL A 108 9.405 7.674 3.343 1.00 0.68 C ATOM 1454 O VAL A 108 8.955 8.388 2.449 1.00 0.86 O ATOM 1455 CB VAL A 108 8.850 5.251 3.267 1.00 0.71 C ATOM 1456 CG1 VAL A 108 8.318 4.085 4.075 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.267 5.239 1.859 1.00 0.97 C ATOM 0 H VAL A 108 6.824 7.302 3.027 1.00 0.44 H new ATOM 0 HA VAL A 108 8.800 6.493 5.036 1.00 0.60 H new ATOM 0 HB VAL A 108 9.932 5.148 3.185 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.539 3.152 3.556 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.792 4.076 5.056 1.00 1.34 H new ATOM 0 HG13 VAL A 108 7.239 4.187 4.195 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.492 4.286 1.380 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.187 5.373 1.911 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.705 6.050 1.277 1.00 0.97 H new ATOM 1467 N THR A 109 10.638 7.792 3.810 1.00 0.68 N ATOM 1468 CA THR A 109 11.580 8.751 3.258 1.00 0.78 C ATOM 1469 C THR A 109 12.858 8.061 2.787 1.00 0.71 C ATOM 1470 O THR A 109 13.659 8.642 2.057 1.00 0.88 O ATOM 1471 CB THR A 109 11.925 9.840 4.289 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.146 9.249 5.579 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.809 10.865 4.383 1.00 1.11 C ATOM 0 H THR A 109 11.011 7.231 4.576 1.00 0.68 H new ATOM 0 HA THR A 109 11.101 9.220 2.398 1.00 0.78 H new ATOM 0 HB THR A 109 12.835 10.342 3.961 1.00 0.96 H new ATOM 0 HG1 THR A 109 12.365 8.300 5.471 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.074 11.625 5.118 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.664 11.335 3.410 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.886 10.371 4.689 1.00 1.11 H new ATOM 1481 N SER A 110 13.038 6.819 3.215 1.00 0.59 N ATOM 1482 CA SER A 110 14.204 6.034 2.848 1.00 0.54 C ATOM 1483 C SER A 110 13.786 4.603 2.504 1.00 0.49 C ATOM 1484 O SER A 110 12.872 4.046 3.117 1.00 0.51 O ATOM 1485 CB SER A 110 15.208 6.029 4.002 1.00 0.62 C ATOM 1486 OG SER A 110 15.594 7.348 4.354 1.00 0.93 O ATOM 0 H SER A 110 12.382 6.331 3.824 1.00 0.59 H new ATOM 0 HA SER A 110 14.674 6.480 1.972 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.768 5.533 4.867 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.089 5.453 3.718 1.00 0.62 H new ATOM 0 HG SER A 110 16.235 7.315 5.095 1.00 0.93 H new ATOM 1492 N PRO A 111 14.454 4.005 1.495 1.00 0.49 N ATOM 1493 CA PRO A 111 14.135 2.661 0.978 1.00 0.49 C ATOM 1494 C PRO A 111 14.079 1.568 2.043 1.00 0.45 C ATOM 1495 O PRO A 111 13.331 0.599 1.902 1.00 0.50 O ATOM 1496 CB PRO A 111 15.276 2.373 0.002 1.00 0.58 C ATOM 1497 CG PRO A 111 15.741 3.713 -0.440 1.00 0.60 C ATOM 1498 CD PRO A 111 15.570 4.619 0.745 1.00 0.54 C ATOM 0 HA PRO A 111 13.138 2.653 0.537 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.078 1.815 0.484 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.934 1.774 -0.842 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.783 3.679 -0.759 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.159 4.068 -1.290 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.478 4.668 1.346 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.335 5.638 0.439 1.00 0.54 H new ATOM 1506 N ASP A 112 14.869 1.709 3.099 1.00 0.47 N ATOM 1507 CA ASP A 112 14.900 0.697 4.150 1.00 0.49 C ATOM 1508 C ASP A 112 13.671 0.781 5.038 1.00 0.43 C ATOM 1509 O ASP A 112 13.234 -0.226 5.597 1.00 0.45 O ATOM 1510 CB ASP A 112 16.172 0.806 4.991 1.00 0.60 C ATOM 1511 CG ASP A 112 17.381 0.256 4.268 1.00 1.16 C ATOM 1512 OD1 ASP A 112 18.214 1.052 3.798 1.00 1.71 O ATOM 1513 OD2 ASP A 112 17.498 -0.979 4.147 1.00 2.04 O ATOM 0 H ASP A 112 15.490 2.503 3.251 1.00 0.47 H new ATOM 0 HA ASP A 112 14.898 -0.276 3.658 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.348 1.851 5.248 1.00 0.60 H new ATOM 0 HB3 ASP A 112 16.034 0.266 5.928 1.00 0.60 H new ATOM 1518 N GLU A 113 13.097 1.973 5.146 1.00 0.43 N ATOM 1519 CA GLU A 113 11.892 2.165 5.944 1.00 0.45 C ATOM 1520 C GLU A 113 10.726 1.438 5.296 1.00 0.37 C ATOM 1521 O GLU A 113 9.847 0.917 5.979 1.00 0.40 O ATOM 1522 CB GLU A 113 11.559 3.649 6.078 1.00 0.57 C ATOM 1523 CG GLU A 113 12.687 4.478 6.659 1.00 0.78 C ATOM 1524 CD GLU A 113 12.306 5.934 6.805 1.00 1.46 C ATOM 1525 OE1 GLU A 113 12.045 6.589 5.776 1.00 2.21 O ATOM 1526 OE2 GLU A 113 12.266 6.429 7.951 1.00 2.13 O ATOM 0 H GLU A 113 13.445 2.818 4.693 1.00 0.43 H new ATOM 0 HA GLU A 113 12.071 1.759 6.939 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.299 4.044 5.096 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.677 3.759 6.709 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.966 4.077 7.633 1.00 0.78 H new ATOM 0 HG3 GLU A 113 13.564 4.396 6.017 1.00 0.78 H new ATOM 1533 N ALA A 114 10.742 1.401 3.969 1.00 0.37 N ATOM 1534 CA ALA A 114 9.717 0.713 3.202 1.00 0.39 C ATOM 1535 C ALA A 114 9.633 -0.749 3.612 1.00 0.36 C ATOM 1536 O ALA A 114 8.563 -1.251 3.958 1.00 0.38 O ATOM 1537 CB ALA A 114 10.012 0.832 1.714 1.00 0.48 C ATOM 0 H ALA A 114 11.462 1.845 3.399 1.00 0.37 H new ATOM 0 HA ALA A 114 8.754 1.181 3.408 1.00 0.39 H new ATOM 0 HB1 ALA A 114 9.239 0.313 1.147 1.00 0.48 H new ATOM 0 HB2 ALA A 114 10.027 1.884 1.429 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.982 0.384 1.498 1.00 0.48 H new ATOM 1543 N LYS A 115 10.779 -1.417 3.599 1.00 0.38 N ATOM 1544 CA LYS A 115 10.857 -2.824 3.970 1.00 0.45 C ATOM 1545 C LYS A 115 10.450 -3.029 5.429 1.00 0.39 C ATOM 1546 O LYS A 115 9.894 -4.069 5.789 1.00 0.44 O ATOM 1547 CB LYS A 115 12.277 -3.343 3.733 1.00 0.57 C ATOM 1548 CG LYS A 115 12.699 -3.299 2.269 1.00 0.75 C ATOM 1549 CD LYS A 115 14.168 -3.658 2.090 1.00 0.77 C ATOM 1550 CE LYS A 115 15.078 -2.590 2.675 1.00 1.22 C ATOM 1551 NZ LYS A 115 16.516 -2.937 2.541 1.00 1.53 N ATOM 0 H LYS A 115 11.673 -1.004 3.334 1.00 0.38 H new ATOM 0 HA LYS A 115 10.162 -3.387 3.347 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.976 -2.751 4.323 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.346 -4.370 4.093 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.084 -3.990 1.693 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.518 -2.301 1.869 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.371 -4.614 2.572 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.387 -3.783 1.029 1.00 0.77 H new ATOM 0 HE2 LYS A 115 14.888 -1.640 2.175 1.00 1.22 H new ATOM 0 HE3 LYS A 115 14.838 -2.449 3.729 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 17.061 -2.449 3.280 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.636 -3.965 2.644 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.859 -2.641 1.605 1.00 1.53 H new ATOM 1565 N ARG A 116 10.706 -2.020 6.254 1.00 0.36 N ATOM 1566 CA ARG A 116 10.380 -2.080 7.674 1.00 0.39 C ATOM 1567 C ARG A 116 8.865 -2.110 7.875 1.00 0.35 C ATOM 1568 O ARG A 116 8.349 -2.886 8.680 1.00 0.42 O ATOM 1569 CB ARG A 116 10.983 -0.877 8.402 1.00 0.50 C ATOM 1570 CG ARG A 116 10.992 -1.014 9.916 1.00 1.14 C ATOM 1571 CD ARG A 116 11.454 0.269 10.587 1.00 1.65 C ATOM 1572 NE ARG A 116 10.458 1.336 10.479 1.00 2.40 N ATOM 1573 CZ ARG A 116 10.750 2.634 10.378 1.00 3.29 C ATOM 1574 NH1 ARG A 116 12.013 3.036 10.325 1.00 3.61 N ATOM 1575 NH2 ARG A 116 9.772 3.530 10.338 1.00 4.21 N ATOM 0 H ARG A 116 11.141 -1.145 5.961 1.00 0.36 H new ATOM 0 HA ARG A 116 10.803 -2.995 8.089 1.00 0.39 H new ATOM 0 HB2 ARG A 116 12.005 -0.730 8.054 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.422 0.018 8.131 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.992 -1.269 10.266 1.00 1.14 H new ATOM 0 HG3 ARG A 116 11.649 -1.834 10.205 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.662 0.073 11.639 1.00 1.65 H new ATOM 0 HD3 ARG A 116 12.389 0.599 10.133 1.00 1.65 H new ATOM 0 HE ARG A 116 9.474 1.069 10.481 1.00 2.40 H new ATOM 0 HH11 ARG A 116 12.768 2.351 10.361 1.00 3.61 H new ATOM 0 HH12 ARG A 116 12.229 4.030 10.248 1.00 3.61 H new ATOM 0 HH21 ARG A 116 8.800 3.226 10.384 1.00 4.21 H new ATOM 0 HH22 ARG A 116 9.993 4.523 10.261 1.00 4.21 H new ATOM 1589 N TRP A 117 8.157 -1.262 7.137 1.00 0.31 N ATOM 1590 CA TRP A 117 6.699 -1.220 7.211 1.00 0.32 C ATOM 1591 C TRP A 117 6.090 -2.468 6.584 1.00 0.30 C ATOM 1592 O TRP A 117 5.050 -2.954 7.029 1.00 0.36 O ATOM 1593 CB TRP A 117 6.146 0.030 6.521 1.00 0.36 C ATOM 1594 CG TRP A 117 6.458 1.308 7.242 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.246 2.327 6.795 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.990 1.702 8.537 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.291 3.334 7.726 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.528 2.975 8.804 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.164 1.107 9.494 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.270 3.659 9.989 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 4.908 1.789 10.670 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.458 3.053 10.907 1.00 0.99 C ATOM 0 H TRP A 117 8.566 -0.596 6.482 1.00 0.31 H new ATOM 0 HA TRP A 117 6.425 -1.184 8.265 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.552 0.085 5.511 1.00 0.36 H new ATOM 0 HB3 TRP A 117 5.065 -0.068 6.425 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.760 2.340 5.845 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.809 4.208 7.630 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.733 0.132 9.319 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.696 4.634 10.176 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.273 1.338 11.418 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.237 3.561 11.834 1.00 0.99 H new ATOM 1613 N ILE A 118 6.744 -2.984 5.551 1.00 0.29 N ATOM 1614 CA ILE A 118 6.293 -4.204 4.897 1.00 0.32 C ATOM 1615 C ILE A 118 6.279 -5.370 5.883 1.00 0.36 C ATOM 1616 O ILE A 118 5.293 -6.101 5.973 1.00 0.40 O ATOM 1617 CB ILE A 118 7.178 -4.554 3.680 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.995 -3.505 2.579 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.847 -5.944 3.154 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.939 -3.674 1.409 1.00 0.57 C ATOM 0 H ILE A 118 7.588 -2.576 5.149 1.00 0.29 H new ATOM 0 HA ILE A 118 5.278 -4.027 4.540 1.00 0.32 H new ATOM 0 HB ILE A 118 8.221 -4.552 3.997 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.969 -3.550 2.215 1.00 0.44 H new ATOM 0 HG13 ILE A 118 7.138 -2.513 3.008 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.482 -6.170 2.297 1.00 0.51 H new ATOM 0 HG22 ILE A 118 7.021 -6.681 3.938 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.801 -5.978 2.849 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.748 -2.894 0.672 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.969 -3.598 1.758 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.782 -4.651 0.953 1.00 0.57 H new ATOM 1632 N LYS A 119 7.366 -5.520 6.635 1.00 0.41 N ATOM 1633 CA LYS A 119 7.479 -6.584 7.631 1.00 0.53 C ATOM 1634 C LYS A 119 6.395 -6.442 8.701 1.00 0.55 C ATOM 1635 O LYS A 119 5.855 -7.434 9.189 1.00 0.67 O ATOM 1636 CB LYS A 119 8.866 -6.551 8.282 1.00 0.63 C ATOM 1637 CG LYS A 119 9.080 -7.634 9.332 1.00 1.09 C ATOM 1638 CD LYS A 119 10.465 -7.550 9.959 1.00 1.34 C ATOM 1639 CE LYS A 119 11.561 -7.867 8.952 1.00 2.05 C ATOM 1640 NZ LYS A 119 12.922 -7.706 9.533 1.00 2.66 N ATOM 0 H LYS A 119 8.185 -4.916 6.574 1.00 0.41 H new ATOM 0 HA LYS A 119 7.344 -7.541 7.128 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.624 -6.656 7.506 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.017 -5.575 8.744 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.323 -7.540 10.110 1.00 1.09 H new ATOM 0 HG3 LYS A 119 8.947 -8.615 8.875 1.00 1.09 H new ATOM 0 HD2 LYS A 119 10.621 -6.550 10.363 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.528 -8.246 10.796 1.00 1.34 H new ATOM 0 HE2 LYS A 119 11.439 -8.889 8.595 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.457 -7.212 8.087 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 13.636 -7.932 8.812 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 13.050 -6.724 9.851 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 13.032 -8.349 10.343 1.00 2.66 H new ATOM 1654 N GLU A 120 6.079 -5.200 9.041 1.00 0.51 N ATOM 1655 CA GLU A 120 5.077 -4.898 10.056 1.00 0.63 C ATOM 1656 C GLU A 120 3.694 -5.370 9.595 1.00 0.60 C ATOM 1657 O GLU A 120 3.016 -6.123 10.298 1.00 0.79 O ATOM 1658 CB GLU A 120 5.078 -3.385 10.323 1.00 0.71 C ATOM 1659 CG GLU A 120 4.471 -2.960 11.655 1.00 1.43 C ATOM 1660 CD GLU A 120 2.966 -3.119 11.718 1.00 1.83 C ATOM 1661 OE1 GLU A 120 2.260 -2.491 10.900 1.00 2.48 O ATOM 1662 OE2 GLU A 120 2.481 -3.855 12.604 1.00 2.33 O ATOM 0 H GLU A 120 6.508 -4.375 8.623 1.00 0.51 H new ATOM 0 HA GLU A 120 5.318 -5.425 10.979 1.00 0.63 H new ATOM 0 HB2 GLU A 120 6.106 -3.025 10.279 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.533 -2.890 9.519 1.00 0.71 H new ATOM 0 HG2 GLU A 120 4.923 -3.548 12.454 1.00 1.43 H new ATOM 0 HG3 GLU A 120 4.725 -1.917 11.844 1.00 1.43 H new ATOM 1669 N PHE A 121 3.304 -4.944 8.398 1.00 0.44 N ATOM 1670 CA PHE A 121 1.981 -5.243 7.854 1.00 0.43 C ATOM 1671 C PHE A 121 1.816 -6.730 7.551 1.00 0.46 C ATOM 1672 O PHE A 121 0.759 -7.305 7.800 1.00 0.54 O ATOM 1673 CB PHE A 121 1.753 -4.417 6.586 1.00 0.38 C ATOM 1674 CG PHE A 121 0.413 -4.632 5.932 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.306 -5.383 4.772 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.735 -4.077 6.474 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.921 -5.578 4.167 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.965 -4.270 5.874 1.00 1.23 C ATOM 1679 CZ PHE A 121 -2.057 -5.020 4.719 1.00 0.67 C ATOM 0 H PHE A 121 3.891 -4.385 7.779 1.00 0.44 H new ATOM 0 HA PHE A 121 1.237 -4.979 8.606 1.00 0.43 H new ATOM 0 HB2 PHE A 121 1.857 -3.360 6.832 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.536 -4.655 5.867 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.192 -5.821 4.336 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.668 -3.487 7.376 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -0.991 -6.166 3.264 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.853 -3.835 6.308 1.00 1.23 H new ATOM 0 HZ PHE A 121 -3.017 -5.170 4.247 1.00 0.67 H new ATOM 1689 N SER A 122 2.860 -7.355 7.026 1.00 0.44 N ATOM 1690 CA SER A 122 2.783 -8.756 6.636 1.00 0.50 C ATOM 1691 C SER A 122 2.814 -9.677 7.852 1.00 0.58 C ATOM 1692 O SER A 122 2.431 -10.847 7.767 1.00 0.80 O ATOM 1693 CB SER A 122 3.927 -9.102 5.684 1.00 0.57 C ATOM 1694 OG SER A 122 5.178 -8.720 6.230 1.00 1.31 O ATOM 0 H SER A 122 3.766 -6.917 6.861 1.00 0.44 H new ATOM 0 HA SER A 122 1.832 -8.909 6.125 1.00 0.50 H new ATOM 0 HB2 SER A 122 3.926 -10.173 5.484 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.775 -8.599 4.729 1.00 0.57 H new ATOM 0 HG SER A 122 5.382 -7.798 5.967 1.00 1.31 H new ATOM 1700 N GLU A 123 3.268 -9.149 8.982 1.00 0.63 N ATOM 1701 CA GLU A 123 3.359 -9.933 10.203 1.00 0.81 C ATOM 1702 C GLU A 123 1.981 -10.131 10.820 1.00 0.92 C ATOM 1703 O GLU A 123 1.528 -11.268 10.977 1.00 1.44 O ATOM 1704 CB GLU A 123 4.289 -9.256 11.209 1.00 1.25 C ATOM 1705 CG GLU A 123 4.568 -10.102 12.439 1.00 1.57 C ATOM 1706 CD GLU A 123 5.163 -11.448 12.089 1.00 1.91 C ATOM 1707 OE1 GLU A 123 6.387 -11.516 11.854 1.00 2.53 O ATOM 1708 OE2 GLU A 123 4.412 -12.443 12.045 1.00 2.37 O ATOM 0 H GLU A 123 3.578 -8.182 9.076 1.00 0.63 H new ATOM 0 HA GLU A 123 3.770 -10.909 9.947 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.233 -9.020 10.718 1.00 1.25 H new ATOM 0 HB3 GLU A 123 3.847 -8.310 11.521 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.251 -9.566 13.098 1.00 1.57 H new ATOM 0 HG3 GLU A 123 3.641 -10.250 12.993 1.00 1.57 H new