USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 890 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 Single : A 21 MET CE :methyl 163:sc= -0.0479 (180deg=-0.383) USER MOD Single : A 22 THR OG1 : rot 161:sc= -0.343 USER MOD Single : A 29 SER OG : rot 41:sc= 1.28 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= -0.246 (180deg=-1.71!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -148:sc= 1.27 (180deg=1.17) USER MOD Single : A 41 MET CE :methyl -151:sc= -0.0477 (180deg=-0.618) USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0521 (180deg=-0.334) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0708 USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= 1.17 (180deg=0.445) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= -0.0325 (180deg=-0.275) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.914) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= 1.92 (180deg=0.989) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.034 (180deg=-0.181) USER MOD Single : A 72 GLN : amide:sc= -0.98 X(o=-0.98,f=-0.76) USER MOD Single : A 73 ASN : amide:sc= -2.45! C(o=-2.4!,f=-4.9!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.753 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0.735 (180deg=0.423) USER MOD Single : A 85 LYS NZ :NH3+ 143:sc= 0.529 (180deg=-0.04) USER MOD Single : A 88 SER OG : rot 180:sc= -0.15 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 163:sc= -0.0768 (180deg=-0.353) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.17) USER MOD Single : A 96 GLN : amide:sc= -2.26 K(o=-2.3,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 121:sc= 1.27 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= -0.283 USER MOD Single : A 115 LYS NZ :NH3+ -160:sc= 1.29 (180deg=1.1) USER MOD Single : A 119 LYS NZ :NH3+ 144:sc= 1.2 (180deg=0.959) USER MOD Single : A 122 SER OG : rot -78:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -6.540 -13.205 4.528 1.00 0.86 N ATOM 2 CA MET A 21 -6.830 -11.780 4.249 1.00 0.65 C ATOM 3 C MET A 21 -6.038 -11.320 3.039 1.00 0.55 C ATOM 4 O MET A 21 -4.816 -11.450 3.016 1.00 0.75 O ATOM 5 CB MET A 21 -6.469 -10.905 5.458 1.00 0.73 C ATOM 6 CG MET A 21 -7.312 -11.167 6.697 1.00 1.04 C ATOM 7 SD MET A 21 -6.997 -12.778 7.448 1.00 1.93 S ATOM 8 CE MET A 21 -5.336 -12.547 8.083 1.00 2.17 C ATOM 0 HA MET A 21 -7.897 -11.680 4.049 1.00 0.65 H new ATOM 0 HB2 MET A 21 -5.420 -11.065 5.707 1.00 0.73 H new ATOM 0 HB3 MET A 21 -6.574 -9.857 5.177 1.00 0.73 H new ATOM 0 HG2 MET A 21 -7.117 -10.387 7.433 1.00 1.04 H new ATOM 0 HG3 MET A 21 -8.367 -11.098 6.431 1.00 1.04 H new ATOM 0 HE1 MET A 21 -5.117 -13.320 8.820 1.00 2.17 H new ATOM 0 HE2 MET A 21 -4.621 -12.614 7.263 1.00 2.17 H new ATOM 0 HE3 MET A 21 -5.259 -11.566 8.552 1.00 2.17 H new ATOM 17 N THR A 22 -6.724 -10.802 2.028 1.00 0.43 N ATOM 18 CA THR A 22 -6.043 -10.286 0.854 1.00 0.41 C ATOM 19 C THR A 22 -5.190 -9.079 1.222 1.00 0.35 C ATOM 20 O THR A 22 -5.695 -8.090 1.763 1.00 0.38 O ATOM 21 CB THR A 22 -7.041 -9.896 -0.244 1.00 0.52 C ATOM 22 OG1 THR A 22 -8.368 -9.853 0.297 1.00 0.82 O ATOM 23 CG2 THR A 22 -6.978 -10.876 -1.406 1.00 0.63 C ATOM 0 H THR A 22 -7.741 -10.730 1.999 1.00 0.43 H new ATOM 0 HA THR A 22 -5.401 -11.079 0.470 1.00 0.41 H new ATOM 0 HB THR A 22 -6.775 -8.908 -0.619 1.00 0.52 H new ATOM 0 HG1 THR A 22 -8.945 -9.325 -0.293 1.00 0.82 H new ATOM 0 HG21 THR A 22 -7.694 -10.579 -2.172 1.00 0.63 H new ATOM 0 HG22 THR A 22 -5.973 -10.875 -1.829 1.00 0.63 H new ATOM 0 HG23 THR A 22 -7.221 -11.877 -1.051 1.00 0.63 H new ATOM 31 N LEU A 23 -3.899 -9.177 0.948 1.00 0.32 N ATOM 32 CA LEU A 23 -2.959 -8.138 1.322 1.00 0.29 C ATOM 33 C LEU A 23 -2.422 -7.425 0.092 1.00 0.26 C ATOM 34 O LEU A 23 -1.595 -7.963 -0.652 1.00 0.30 O ATOM 35 CB LEU A 23 -1.804 -8.734 2.131 1.00 0.30 C ATOM 36 CG LEU A 23 -2.213 -9.471 3.409 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.982 -9.916 4.180 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.100 -8.594 4.278 1.00 0.39 C ATOM 0 H LEU A 23 -3.479 -9.971 0.465 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.485 -7.409 1.939 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -1.254 -9.425 1.493 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.117 -7.931 2.398 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.784 -10.356 3.127 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.289 -10.438 5.086 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.386 -10.585 3.559 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.386 -9.044 4.449 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.378 -9.139 5.180 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.559 -7.689 4.553 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.000 -8.325 3.725 1.00 0.39 H new ATOM 50 N PHE A 24 -2.901 -6.213 -0.121 1.00 0.25 N ATOM 51 CA PHE A 24 -2.459 -5.405 -1.241 1.00 0.25 C ATOM 52 C PHE A 24 -1.510 -4.334 -0.751 1.00 0.26 C ATOM 53 O PHE A 24 -1.680 -3.800 0.343 1.00 0.30 O ATOM 54 CB PHE A 24 -3.646 -4.745 -1.939 1.00 0.28 C ATOM 55 CG PHE A 24 -4.703 -5.714 -2.369 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.706 -6.086 -1.495 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.693 -6.254 -3.644 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.677 -6.980 -1.879 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.665 -7.149 -4.036 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.658 -7.514 -3.152 1.00 0.51 C ATOM 0 H PHE A 24 -3.600 -5.765 0.471 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.952 -6.055 -1.954 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.090 -4.011 -1.267 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.287 -4.201 -2.812 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.728 -5.670 -0.499 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.916 -5.971 -4.338 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.454 -7.265 -1.185 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.649 -7.563 -5.033 1.00 1.30 H new ATOM 0 HZ PHE A 24 -7.420 -8.217 -3.455 1.00 0.51 H new ATOM 70 N VAL A 25 -0.512 -4.024 -1.549 1.00 0.29 N ATOM 71 CA VAL A 25 0.403 -2.958 -1.215 1.00 0.31 C ATOM 72 C VAL A 25 0.594 -2.025 -2.405 1.00 0.30 C ATOM 73 O VAL A 25 1.050 -2.429 -3.478 1.00 0.35 O ATOM 74 CB VAL A 25 1.758 -3.497 -0.688 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.338 -4.554 -1.611 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.746 -2.358 -0.487 1.00 0.98 C ATOM 0 H VAL A 25 -0.315 -4.495 -2.432 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.040 -2.384 -0.401 1.00 0.31 H new ATOM 0 HB VAL A 25 1.572 -3.970 0.276 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.287 -4.907 -1.208 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.643 -5.390 -1.689 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.501 -4.124 -2.599 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.691 -2.757 -0.117 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.914 -1.850 -1.437 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.343 -1.650 0.237 1.00 0.98 H new ATOM 86 N LEU A 26 0.180 -0.785 -2.213 1.00 0.34 N ATOM 87 CA LEU A 26 0.322 0.252 -3.217 1.00 0.35 C ATOM 88 C LEU A 26 1.485 1.144 -2.824 1.00 0.34 C ATOM 89 O LEU A 26 1.854 1.204 -1.650 1.00 0.36 O ATOM 90 CB LEU A 26 -0.960 1.096 -3.340 1.00 0.40 C ATOM 91 CG LEU A 26 -2.175 0.428 -4.016 1.00 0.44 C ATOM 92 CD1 LEU A 26 -2.572 -0.868 -3.335 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.360 1.378 -4.024 1.00 1.09 C ATOM 0 H LEU A 26 -0.266 -0.469 -1.352 1.00 0.34 H new ATOM 0 HA LEU A 26 0.504 -0.215 -4.185 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.258 1.408 -2.339 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.718 2.001 -3.897 1.00 0.40 H new ATOM 0 HG LEU A 26 -1.880 0.191 -5.038 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -3.432 -1.300 -3.847 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.738 -1.569 -3.372 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -2.832 -0.668 -2.296 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -4.211 0.894 -4.504 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -3.622 1.641 -2.999 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.098 2.282 -4.575 1.00 1.09 H new ATOM 105 N ILE A 27 2.066 1.828 -3.788 1.00 0.34 N ATOM 106 CA ILE A 27 3.216 2.669 -3.519 1.00 0.32 C ATOM 107 C ILE A 27 3.271 3.850 -4.479 1.00 0.30 C ATOM 108 O ILE A 27 3.242 3.671 -5.697 1.00 0.36 O ATOM 109 CB ILE A 27 4.529 1.852 -3.608 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.750 2.766 -3.445 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.594 1.083 -4.924 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.073 2.029 -3.457 1.00 0.55 C ATOM 0 H ILE A 27 1.763 1.819 -4.762 1.00 0.34 H new ATOM 0 HA ILE A 27 3.111 3.055 -2.505 1.00 0.32 H new ATOM 0 HB ILE A 27 4.540 1.129 -2.792 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.749 3.504 -4.247 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.659 3.314 -2.507 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.523 0.515 -4.968 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.748 0.399 -4.988 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.557 1.784 -5.757 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.888 2.743 -3.337 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.096 1.310 -2.638 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.188 1.503 -4.405 1.00 0.55 H new ATOM 124 N LEU A 28 3.316 5.061 -3.935 1.00 0.30 N ATOM 125 CA LEU A 28 3.543 6.232 -4.764 1.00 0.36 C ATOM 126 C LEU A 28 4.876 6.854 -4.386 1.00 0.38 C ATOM 127 O LEU A 28 4.944 7.828 -3.631 1.00 0.41 O ATOM 128 CB LEU A 28 2.428 7.259 -4.558 1.00 0.46 C ATOM 129 CG LEU A 28 1.015 6.691 -4.449 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.030 7.812 -4.194 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.632 5.928 -5.705 1.00 1.18 C ATOM 0 H LEU A 28 3.200 5.253 -2.940 1.00 0.30 H new ATOM 0 HA LEU A 28 3.551 5.930 -5.811 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.643 7.824 -3.651 1.00 0.46 H new ATOM 0 HB3 LEU A 28 2.453 7.966 -5.388 1.00 0.46 H new ATOM 0 HG LEU A 28 0.989 5.992 -3.613 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.977 7.401 -4.117 1.00 1.24 H new ATOM 0 HD12 LEU A 28 0.288 8.318 -3.264 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.069 8.525 -5.018 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.379 5.535 -5.598 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.672 6.598 -6.564 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.328 5.103 -5.856 1.00 1.18 H new ATOM 143 N SER A 29 5.929 6.261 -4.901 1.00 0.44 N ATOM 144 CA SER A 29 7.271 6.780 -4.752 1.00 0.56 C ATOM 145 C SER A 29 8.077 6.387 -5.975 1.00 0.68 C ATOM 146 O SER A 29 7.872 5.293 -6.508 1.00 1.05 O ATOM 147 CB SER A 29 7.917 6.222 -3.479 1.00 0.61 C ATOM 148 OG SER A 29 9.200 6.784 -3.259 1.00 1.27 O ATOM 0 H SER A 29 5.878 5.397 -5.440 1.00 0.44 H new ATOM 0 HA SER A 29 7.243 7.866 -4.665 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.276 6.430 -2.623 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.002 5.138 -3.558 1.00 0.61 H new ATOM 0 HG SER A 29 9.179 7.740 -3.472 1.00 1.27 H new ATOM 154 N ASN A 30 8.978 7.231 -6.445 1.00 0.60 N ATOM 155 CA ASN A 30 9.915 6.759 -7.444 1.00 0.67 C ATOM 156 C ASN A 30 11.344 6.999 -6.997 1.00 0.64 C ATOM 157 O ASN A 30 11.944 8.037 -7.279 1.00 0.68 O ATOM 158 CB ASN A 30 9.665 7.440 -8.792 1.00 0.79 C ATOM 159 CG ASN A 30 10.510 6.845 -9.906 1.00 1.85 C ATOM 160 OD1 ASN A 30 11.623 7.298 -10.176 1.00 2.75 O ATOM 161 ND2 ASN A 30 9.986 5.819 -10.559 1.00 2.45 N ATOM 0 H ASN A 30 9.079 8.207 -6.165 1.00 0.60 H new ATOM 0 HA ASN A 30 9.762 5.686 -7.564 1.00 0.67 H new ATOM 0 HB2 ASN A 30 8.610 7.350 -9.052 1.00 0.79 H new ATOM 0 HB3 ASN A 30 9.882 8.505 -8.704 1.00 0.79 H new ATOM 0 HD21 ASN A 30 10.508 5.375 -11.315 1.00 2.45 H new ATOM 0 HD22 ASN A 30 9.061 5.472 -10.306 1.00 2.45 H new ATOM 168 N ASP A 31 11.871 6.027 -6.277 1.00 0.63 N ATOM 169 CA ASP A 31 13.301 5.881 -6.077 1.00 0.67 C ATOM 170 C ASP A 31 13.725 4.537 -6.641 1.00 0.72 C ATOM 171 O ASP A 31 13.043 3.536 -6.430 1.00 0.81 O ATOM 172 CB ASP A 31 13.681 5.997 -4.603 1.00 0.72 C ATOM 173 CG ASP A 31 15.172 5.832 -4.389 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.602 4.741 -3.970 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.927 6.790 -4.660 1.00 1.57 O ATOM 0 H ASP A 31 11.315 5.311 -5.811 1.00 0.63 H new ATOM 0 HA ASP A 31 13.821 6.687 -6.596 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.365 6.968 -4.222 1.00 0.72 H new ATOM 0 HB3 ASP A 31 13.146 5.240 -4.030 1.00 0.72 H new ATOM 180 N LYS A 32 14.844 4.509 -7.339 1.00 0.78 N ATOM 181 CA LYS A 32 15.301 3.294 -7.999 1.00 0.82 C ATOM 182 C LYS A 32 15.617 2.184 -6.994 1.00 0.79 C ATOM 183 O LYS A 32 15.369 1.009 -7.264 1.00 0.81 O ATOM 184 CB LYS A 32 16.518 3.596 -8.858 1.00 0.99 C ATOM 185 CG LYS A 32 16.236 4.628 -9.932 1.00 1.10 C ATOM 186 CD LYS A 32 17.222 4.526 -11.078 1.00 1.61 C ATOM 187 CE LYS A 32 18.605 5.068 -10.723 1.00 2.22 C ATOM 188 NZ LYS A 32 19.401 4.130 -9.885 1.00 2.93 N ATOM 0 H LYS A 32 15.457 5.314 -7.466 1.00 0.78 H new ATOM 0 HA LYS A 32 14.492 2.935 -8.635 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.327 3.953 -8.221 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.864 2.675 -9.327 1.00 0.99 H new ATOM 0 HG2 LYS A 32 15.223 4.492 -10.310 1.00 1.10 H new ATOM 0 HG3 LYS A 32 16.283 5.627 -9.499 1.00 1.10 H new ATOM 0 HD2 LYS A 32 17.313 3.483 -11.380 1.00 1.61 H new ATOM 0 HD3 LYS A 32 16.832 5.074 -11.936 1.00 1.61 H new ATOM 0 HE2 LYS A 32 19.153 5.280 -11.641 1.00 2.22 H new ATOM 0 HE3 LYS A 32 18.493 6.014 -10.193 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 20.395 4.151 -10.189 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 19.338 4.417 -8.887 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 19.026 3.166 -9.992 1.00 2.93 H new ATOM 202 N LYS A 33 16.141 2.557 -5.833 1.00 0.84 N ATOM 203 CA LYS A 33 16.488 1.580 -4.808 1.00 0.86 C ATOM 204 C LYS A 33 15.274 1.253 -3.944 1.00 0.74 C ATOM 205 O LYS A 33 15.019 0.090 -3.634 1.00 0.70 O ATOM 206 CB LYS A 33 17.620 2.103 -3.922 1.00 1.02 C ATOM 207 CG LYS A 33 18.084 1.098 -2.880 1.00 1.56 C ATOM 208 CD LYS A 33 19.022 1.729 -1.865 1.00 2.24 C ATOM 209 CE LYS A 33 19.493 0.708 -0.842 1.00 2.94 C ATOM 210 NZ LYS A 33 20.270 1.338 0.256 1.00 3.44 N ATOM 0 H LYS A 33 16.335 3.525 -5.578 1.00 0.84 H new ATOM 0 HA LYS A 33 16.822 0.673 -5.311 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.466 2.380 -4.551 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.287 3.011 -3.418 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.218 0.682 -2.365 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.589 0.268 -3.375 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.883 2.157 -2.379 1.00 2.24 H new ATOM 0 HD3 LYS A 33 18.514 2.549 -1.357 1.00 2.24 H new ATOM 0 HE2 LYS A 33 18.630 0.189 -0.424 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.108 -0.044 -1.337 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 20.572 0.607 0.931 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 21.107 1.812 -0.139 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 19.675 2.037 0.745 1.00 3.44 H new ATOM 224 N LEU A 34 14.537 2.292 -3.558 1.00 0.72 N ATOM 225 CA LEU A 34 13.351 2.140 -2.716 1.00 0.64 C ATOM 226 C LEU A 34 12.365 1.171 -3.356 1.00 0.58 C ATOM 227 O LEU A 34 11.883 0.250 -2.703 1.00 0.62 O ATOM 228 CB LEU A 34 12.690 3.511 -2.488 1.00 0.63 C ATOM 229 CG LEU A 34 11.690 3.610 -1.326 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.470 5.067 -0.946 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.355 2.972 -1.687 1.00 1.46 C ATOM 0 H LEU A 34 14.742 3.257 -3.817 1.00 0.72 H new ATOM 0 HA LEU A 34 13.653 1.732 -1.752 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.478 4.245 -2.322 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.175 3.797 -3.405 1.00 0.63 H new ATOM 0 HG LEU A 34 12.112 3.070 -0.479 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.759 5.125 -0.121 1.00 1.37 H new ATOM 0 HD12 LEU A 34 12.418 5.510 -0.640 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.075 5.611 -1.804 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.670 3.059 -0.843 1.00 1.46 H new ATOM 0 HD22 LEU A 34 9.931 3.481 -2.553 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.507 1.919 -1.924 1.00 1.46 H new ATOM 243 N ILE A 35 12.085 1.375 -4.640 1.00 0.54 N ATOM 244 CA ILE A 35 11.159 0.519 -5.371 1.00 0.52 C ATOM 245 C ILE A 35 11.641 -0.933 -5.368 1.00 0.55 C ATOM 246 O ILE A 35 10.853 -1.859 -5.158 1.00 0.58 O ATOM 247 CB ILE A 35 10.969 1.019 -6.822 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.183 2.335 -6.830 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.268 -0.025 -7.677 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.980 2.915 -8.215 1.00 0.69 C ATOM 0 H ILE A 35 12.488 2.129 -5.196 1.00 0.54 H new ATOM 0 HA ILE A 35 10.195 0.564 -4.864 1.00 0.52 H new ATOM 0 HB ILE A 35 11.955 1.194 -7.252 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.209 2.169 -6.369 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.707 3.065 -6.213 1.00 0.57 H new ATOM 0 HG21 ILE A 35 10.149 0.356 -8.691 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.864 -0.937 -7.699 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.287 -0.243 -7.254 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.416 3.845 -8.141 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.949 3.114 -8.672 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.428 2.204 -8.830 1.00 0.69 H new ATOM 262 N GLU A 36 12.941 -1.124 -5.576 1.00 0.59 N ATOM 263 CA GLU A 36 13.536 -2.454 -5.532 1.00 0.66 C ATOM 264 C GLU A 36 13.365 -3.087 -4.156 1.00 0.62 C ATOM 265 O GLU A 36 12.788 -4.167 -4.031 1.00 0.62 O ATOM 266 CB GLU A 36 15.020 -2.388 -5.890 1.00 0.79 C ATOM 267 CG GLU A 36 15.277 -2.330 -7.382 1.00 0.76 C ATOM 268 CD GLU A 36 14.834 -3.593 -8.083 1.00 1.34 C ATOM 269 OE1 GLU A 36 13.874 -3.536 -8.878 1.00 2.15 O ATOM 270 OE2 GLU A 36 15.438 -4.656 -7.834 1.00 1.87 O ATOM 0 H GLU A 36 13.602 -0.373 -5.777 1.00 0.59 H new ATOM 0 HA GLU A 36 13.019 -3.074 -6.264 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.461 -1.510 -5.418 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.525 -3.260 -5.475 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.750 -1.476 -7.807 1.00 0.76 H new ATOM 0 HG3 GLU A 36 16.340 -2.170 -7.561 1.00 0.76 H new ATOM 277 N GLU A 37 13.853 -2.402 -3.131 1.00 0.62 N ATOM 278 CA GLU A 37 13.808 -2.913 -1.766 1.00 0.65 C ATOM 279 C GLU A 37 12.373 -3.165 -1.309 1.00 0.56 C ATOM 280 O GLU A 37 12.099 -4.141 -0.606 1.00 0.57 O ATOM 281 CB GLU A 37 14.494 -1.933 -0.817 1.00 0.73 C ATOM 282 CG GLU A 37 16.005 -1.866 -0.988 1.00 0.85 C ATOM 283 CD GLU A 37 16.689 -3.185 -0.678 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.138 -3.870 -1.623 1.00 2.05 O ATOM 285 OE2 GLU A 37 16.787 -3.547 0.512 1.00 1.84 O ATOM 0 H GLU A 37 14.288 -1.484 -3.219 1.00 0.62 H new ATOM 0 HA GLU A 37 14.337 -3.866 -1.748 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.076 -0.938 -0.973 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.266 -2.217 0.210 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.238 -1.572 -2.012 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.406 -1.091 -0.335 1.00 0.85 H new ATOM 292 N ALA A 38 11.464 -2.283 -1.707 1.00 0.51 N ATOM 293 CA ALA A 38 10.055 -2.426 -1.367 1.00 0.46 C ATOM 294 C ALA A 38 9.473 -3.685 -1.997 1.00 0.42 C ATOM 295 O ALA A 38 8.781 -4.459 -1.331 1.00 0.43 O ATOM 296 CB ALA A 38 9.268 -1.200 -1.807 1.00 0.50 C ATOM 0 H ALA A 38 11.679 -1.459 -2.268 1.00 0.51 H new ATOM 0 HA ALA A 38 9.976 -2.515 -0.284 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.218 -1.328 -1.543 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.663 -0.316 -1.307 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.359 -1.077 -2.886 1.00 0.50 H new ATOM 302 N ARG A 39 9.771 -3.898 -3.278 1.00 0.43 N ATOM 303 CA ARG A 39 9.266 -5.069 -3.980 1.00 0.45 C ATOM 304 C ARG A 39 9.793 -6.340 -3.347 1.00 0.45 C ATOM 305 O ARG A 39 9.040 -7.268 -3.124 1.00 0.49 O ATOM 306 CB ARG A 39 9.650 -5.068 -5.460 1.00 0.53 C ATOM 307 CG ARG A 39 9.040 -6.242 -6.223 1.00 0.60 C ATOM 308 CD ARG A 39 9.762 -6.501 -7.536 1.00 0.77 C ATOM 309 NE ARG A 39 9.679 -5.364 -8.453 1.00 1.46 N ATOM 310 CZ ARG A 39 9.112 -5.417 -9.658 1.00 1.90 C ATOM 311 NH1 ARG A 39 8.540 -6.538 -10.083 1.00 1.82 N ATOM 312 NH2 ARG A 39 9.115 -4.342 -10.436 1.00 2.96 N ATOM 0 H ARG A 39 10.354 -3.280 -3.843 1.00 0.43 H new ATOM 0 HA ARG A 39 8.179 -5.030 -3.902 1.00 0.45 H new ATOM 0 HB2 ARG A 39 9.324 -4.133 -5.916 1.00 0.53 H new ATOM 0 HB3 ARG A 39 10.736 -5.105 -5.550 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.080 -7.138 -5.604 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.988 -6.039 -6.421 1.00 0.60 H new ATOM 0 HD2 ARG A 39 10.809 -6.725 -7.333 1.00 0.77 H new ATOM 0 HD3 ARG A 39 9.335 -7.382 -8.015 1.00 0.77 H new ATOM 0 HE ARG A 39 10.080 -4.476 -8.151 1.00 1.46 H new ATOM 0 HH11 ARG A 39 8.533 -7.365 -9.486 1.00 1.82 H new ATOM 0 HH12 ARG A 39 8.108 -6.572 -11.006 1.00 1.82 H new ATOM 0 HH21 ARG A 39 9.550 -3.479 -10.111 1.00 2.96 H new ATOM 0 HH22 ARG A 39 8.682 -4.379 -11.359 1.00 2.96 H new ATOM 326 N LYS A 40 11.086 -6.361 -3.048 1.00 0.49 N ATOM 327 CA LYS A 40 11.741 -7.557 -2.519 1.00 0.55 C ATOM 328 C LYS A 40 11.016 -8.101 -1.291 1.00 0.49 C ATOM 329 O LYS A 40 10.919 -9.315 -1.103 1.00 0.54 O ATOM 330 CB LYS A 40 13.198 -7.252 -2.178 1.00 0.70 C ATOM 331 CG LYS A 40 14.028 -6.851 -3.386 1.00 0.85 C ATOM 332 CD LYS A 40 15.435 -6.451 -2.986 1.00 1.27 C ATOM 333 CE LYS A 40 16.228 -5.951 -4.179 1.00 1.34 C ATOM 334 NZ LYS A 40 17.560 -5.428 -3.779 1.00 1.88 N ATOM 0 H LYS A 40 11.707 -5.560 -3.163 1.00 0.49 H new ATOM 0 HA LYS A 40 11.705 -8.324 -3.292 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.231 -6.450 -1.441 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.646 -8.130 -1.713 1.00 0.70 H new ATOM 0 HG2 LYS A 40 14.071 -7.681 -4.091 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.545 -6.021 -3.901 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.391 -5.673 -2.224 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.945 -7.305 -2.540 1.00 1.27 H new ATOM 0 HE2 LYS A 40 16.357 -6.762 -4.895 1.00 1.34 H new ATOM 0 HE3 LYS A 40 15.666 -5.166 -4.685 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 17.835 -4.655 -4.418 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 17.514 -5.072 -2.803 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 18.264 -6.191 -3.836 1.00 1.88 H new ATOM 348 N MET A 41 10.490 -7.204 -0.468 1.00 0.45 N ATOM 349 CA MET A 41 9.759 -7.610 0.723 1.00 0.46 C ATOM 350 C MET A 41 8.428 -8.246 0.354 1.00 0.41 C ATOM 351 O MET A 41 8.135 -9.361 0.774 1.00 0.46 O ATOM 352 CB MET A 41 9.525 -6.421 1.651 1.00 0.57 C ATOM 353 CG MET A 41 10.799 -5.862 2.254 1.00 0.89 C ATOM 354 SD MET A 41 11.744 -7.096 3.169 1.00 1.10 S ATOM 355 CE MET A 41 10.602 -7.487 4.494 1.00 1.68 C ATOM 0 H MET A 41 10.556 -6.195 -0.603 1.00 0.45 H new ATOM 0 HA MET A 41 10.367 -8.349 1.246 1.00 0.46 H new ATOM 0 HB2 MET A 41 9.019 -5.631 1.096 1.00 0.57 H new ATOM 0 HB3 MET A 41 8.855 -6.725 2.455 1.00 0.57 H new ATOM 0 HG2 MET A 41 11.421 -5.451 1.459 1.00 0.89 H new ATOM 0 HG3 MET A 41 10.548 -5.037 2.920 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.161 -7.794 5.378 1.00 1.68 H new ATOM 0 HE2 MET A 41 10.004 -6.607 4.731 1.00 1.68 H new ATOM 0 HE3 MET A 41 9.945 -8.298 4.181 1.00 1.68 H new ATOM 365 N ALA A 42 7.631 -7.544 -0.443 1.00 0.37 N ATOM 366 CA ALA A 42 6.310 -8.034 -0.830 1.00 0.39 C ATOM 367 C ALA A 42 6.418 -9.219 -1.784 1.00 0.42 C ATOM 368 O ALA A 42 5.526 -10.066 -1.838 1.00 0.49 O ATOM 369 CB ALA A 42 5.501 -6.919 -1.464 1.00 0.43 C ATOM 0 H ALA A 42 7.875 -6.634 -0.834 1.00 0.37 H new ATOM 0 HA ALA A 42 5.799 -8.374 0.071 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.519 -7.298 -1.748 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.383 -6.104 -0.750 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.019 -6.553 -2.351 1.00 0.43 H new ATOM 375 N GLU A 43 7.511 -9.263 -2.534 1.00 0.45 N ATOM 376 CA GLU A 43 7.788 -10.361 -3.446 1.00 0.59 C ATOM 377 C GLU A 43 7.944 -11.641 -2.637 1.00 0.63 C ATOM 378 O GLU A 43 7.270 -12.641 -2.877 1.00 0.75 O ATOM 379 CB GLU A 43 9.076 -10.081 -4.232 1.00 0.71 C ATOM 380 CG GLU A 43 9.075 -10.614 -5.660 1.00 0.87 C ATOM 381 CD GLU A 43 8.827 -12.106 -5.746 1.00 1.66 C ATOM 382 OE1 GLU A 43 9.766 -12.888 -5.491 1.00 2.36 O ATOM 383 OE2 GLU A 43 7.697 -12.504 -6.091 1.00 2.41 O ATOM 0 H GLU A 43 8.229 -8.539 -2.526 1.00 0.45 H new ATOM 0 HA GLU A 43 6.966 -10.467 -4.154 1.00 0.59 H new ATOM 0 HB2 GLU A 43 9.242 -9.004 -4.260 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.917 -10.520 -3.695 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.309 -10.092 -6.234 1.00 0.87 H new ATOM 0 HG3 GLU A 43 10.034 -10.385 -6.126 1.00 0.87 H new ATOM 390 N LYS A 44 8.831 -11.576 -1.651 1.00 0.60 N ATOM 391 CA LYS A 44 9.089 -12.696 -0.761 1.00 0.70 C ATOM 392 C LYS A 44 7.852 -12.982 0.089 1.00 0.66 C ATOM 393 O LYS A 44 7.513 -14.137 0.347 1.00 0.75 O ATOM 394 CB LYS A 44 10.301 -12.370 0.122 1.00 0.81 C ATOM 395 CG LYS A 44 10.976 -13.582 0.752 1.00 1.39 C ATOM 396 CD LYS A 44 10.147 -14.179 1.873 1.00 2.35 C ATOM 397 CE LYS A 44 10.767 -15.456 2.411 1.00 3.19 C ATOM 398 NZ LYS A 44 10.829 -16.522 1.377 1.00 3.63 N ATOM 0 H LYS A 44 9.389 -10.747 -1.448 1.00 0.60 H new ATOM 0 HA LYS A 44 9.311 -13.590 -1.344 1.00 0.70 H new ATOM 0 HB2 LYS A 44 11.036 -11.833 -0.478 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.983 -11.695 0.916 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.148 -14.339 -0.013 1.00 1.39 H new ATOM 0 HG3 LYS A 44 11.953 -13.292 1.139 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.050 -13.453 2.680 1.00 2.35 H new ATOM 0 HD3 LYS A 44 9.141 -14.388 1.510 1.00 2.35 H new ATOM 0 HE2 LYS A 44 11.772 -15.245 2.776 1.00 3.19 H new ATOM 0 HE3 LYS A 44 10.187 -15.810 3.263 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 11.015 -17.438 1.833 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 9.923 -16.566 0.869 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 11.593 -16.309 0.704 1.00 3.63 H new ATOM 412 N ALA A 45 7.166 -11.921 0.496 1.00 0.57 N ATOM 413 CA ALA A 45 6.000 -12.043 1.362 1.00 0.59 C ATOM 414 C ALA A 45 4.776 -12.556 0.603 1.00 0.59 C ATOM 415 O ALA A 45 3.746 -12.866 1.206 1.00 0.66 O ATOM 416 CB ALA A 45 5.698 -10.711 2.032 1.00 0.56 C ATOM 0 H ALA A 45 7.399 -10.962 0.239 1.00 0.57 H new ATOM 0 HA ALA A 45 6.235 -12.780 2.130 1.00 0.59 H new ATOM 0 HB1 ALA A 45 4.825 -10.817 2.676 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.555 -10.402 2.631 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.498 -9.958 1.270 1.00 0.56 H new ATOM 422 N ASN A 46 4.910 -12.639 -0.724 1.00 0.56 N ATOM 423 CA ASN A 46 3.851 -13.135 -1.604 1.00 0.60 C ATOM 424 C ASN A 46 2.608 -12.261 -1.528 1.00 0.54 C ATOM 425 O ASN A 46 1.483 -12.761 -1.471 1.00 0.63 O ATOM 426 CB ASN A 46 3.495 -14.592 -1.283 1.00 0.76 C ATOM 427 CG ASN A 46 4.489 -15.578 -1.864 1.00 1.41 C ATOM 428 OD1 ASN A 46 5.482 -15.933 -1.227 1.00 2.03 O ATOM 429 ND2 ASN A 46 4.228 -16.031 -3.081 1.00 2.18 N ATOM 0 H ASN A 46 5.759 -12.363 -1.218 1.00 0.56 H new ATOM 0 HA ASN A 46 4.236 -13.092 -2.623 1.00 0.60 H new ATOM 0 HB2 ASN A 46 3.451 -14.721 -0.202 1.00 0.76 H new ATOM 0 HB3 ASN A 46 2.501 -14.813 -1.671 1.00 0.76 H new ATOM 0 HD21 ASN A 46 4.860 -16.698 -3.523 1.00 2.18 H new ATOM 0 HD22 ASN A 46 3.395 -15.713 -3.576 1.00 2.18 H new ATOM 436 N LEU A 47 2.817 -10.956 -1.541 1.00 0.44 N ATOM 437 CA LEU A 47 1.715 -10.007 -1.474 1.00 0.42 C ATOM 438 C LEU A 47 1.319 -9.573 -2.876 1.00 0.41 C ATOM 439 O LEU A 47 1.890 -10.036 -3.865 1.00 0.58 O ATOM 440 CB LEU A 47 2.111 -8.777 -0.653 1.00 0.43 C ATOM 441 CG LEU A 47 2.700 -9.061 0.728 1.00 0.45 C ATOM 442 CD1 LEU A 47 2.965 -7.760 1.465 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.776 -9.949 1.543 1.00 0.59 C ATOM 0 H LEU A 47 3.741 -10.527 -1.597 1.00 0.44 H new ATOM 0 HA LEU A 47 0.870 -10.496 -0.990 1.00 0.42 H new ATOM 0 HB2 LEU A 47 2.837 -8.200 -1.225 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.230 -8.147 -0.529 1.00 0.43 H new ATOM 0 HG LEU A 47 3.644 -9.589 0.592 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.384 -7.977 2.447 1.00 0.47 H new ATOM 0 HD12 LEU A 47 3.671 -7.156 0.895 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.030 -7.212 1.583 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.220 -10.135 2.521 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.813 -9.454 1.670 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.631 -10.897 1.024 1.00 0.59 H new ATOM 455 N ILE A 48 0.333 -8.696 -2.960 1.00 0.30 N ATOM 456 CA ILE A 48 -0.070 -8.131 -4.235 1.00 0.32 C ATOM 457 C ILE A 48 0.393 -6.680 -4.322 1.00 0.32 C ATOM 458 O ILE A 48 -0.258 -5.773 -3.801 1.00 0.33 O ATOM 459 CB ILE A 48 -1.600 -8.217 -4.439 1.00 0.36 C ATOM 460 CG1 ILE A 48 -2.069 -9.668 -4.271 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.983 -7.687 -5.816 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.565 -9.855 -4.407 1.00 0.53 C ATOM 0 H ILE A 48 -0.203 -8.360 -2.160 1.00 0.30 H new ATOM 0 HA ILE A 48 0.400 -8.713 -5.028 1.00 0.32 H new ATOM 0 HB ILE A 48 -2.092 -7.600 -3.687 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -1.567 -10.289 -5.013 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.757 -10.028 -3.291 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -3.063 -7.754 -5.944 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.671 -6.646 -5.905 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -1.489 -8.281 -6.585 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.814 -10.908 -4.275 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -4.076 -9.264 -3.647 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.884 -9.528 -5.397 1.00 0.53 H new ATOM 474 N LEU A 49 1.542 -6.479 -4.951 1.00 0.34 N ATOM 475 CA LEU A 49 2.134 -5.156 -5.077 1.00 0.35 C ATOM 476 C LEU A 49 1.724 -4.500 -6.385 1.00 0.35 C ATOM 477 O LEU A 49 1.931 -5.056 -7.466 1.00 0.44 O ATOM 478 CB LEU A 49 3.664 -5.251 -5.001 1.00 0.44 C ATOM 479 CG LEU A 49 4.428 -3.952 -5.293 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.151 -2.900 -4.230 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.918 -4.229 -5.388 1.00 1.14 C ATOM 0 H LEU A 49 2.087 -7.224 -5.386 1.00 0.34 H new ATOM 0 HA LEU A 49 1.770 -4.542 -4.253 1.00 0.35 H new ATOM 0 HB2 LEU A 49 3.939 -5.596 -4.004 1.00 0.44 H new ATOM 0 HB3 LEU A 49 3.998 -6.013 -5.705 1.00 0.44 H new ATOM 0 HG LEU A 49 4.079 -3.562 -6.249 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.706 -1.991 -4.464 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.084 -2.678 -4.207 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.464 -3.276 -3.256 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.448 -3.300 -5.595 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.271 -4.646 -4.445 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.105 -4.941 -6.192 1.00 1.14 H new ATOM 493 N ILE A 50 1.136 -3.320 -6.280 1.00 0.33 N ATOM 494 CA ILE A 50 0.782 -2.542 -7.451 1.00 0.34 C ATOM 495 C ILE A 50 1.658 -1.297 -7.512 1.00 0.32 C ATOM 496 O ILE A 50 1.445 -0.337 -6.768 1.00 0.36 O ATOM 497 CB ILE A 50 -0.711 -2.121 -7.470 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.643 -3.337 -7.351 1.00 0.48 C ATOM 499 CG2 ILE A 50 -1.023 -1.352 -8.746 1.00 0.46 C ATOM 500 CD1 ILE A 50 -1.887 -3.794 -5.927 1.00 0.94 C ATOM 0 H ILE A 50 0.894 -2.880 -5.392 1.00 0.33 H new ATOM 0 HA ILE A 50 0.947 -3.178 -8.321 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.885 -1.478 -6.607 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -2.600 -3.094 -7.812 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -1.217 -4.164 -7.919 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -2.074 -1.062 -8.748 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.400 -0.459 -8.794 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.819 -1.984 -9.611 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.554 -4.656 -5.931 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -0.939 -4.071 -5.466 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.344 -2.984 -5.358 1.00 0.94 H new ATOM 512 N THR A 51 2.658 -1.332 -8.377 1.00 0.32 N ATOM 513 CA THR A 51 3.564 -0.209 -8.540 1.00 0.35 C ATOM 514 C THR A 51 2.912 0.901 -9.359 1.00 0.38 C ATOM 515 O THR A 51 2.852 0.838 -10.589 1.00 0.55 O ATOM 516 CB THR A 51 4.879 -0.659 -9.205 1.00 0.47 C ATOM 517 OG1 THR A 51 4.612 -1.691 -10.167 1.00 1.17 O ATOM 518 CG2 THR A 51 5.867 -1.170 -8.168 1.00 0.89 C ATOM 0 H THR A 51 2.863 -2.130 -8.979 1.00 0.32 H new ATOM 0 HA THR A 51 3.793 0.182 -7.549 1.00 0.35 H new ATOM 0 HB THR A 51 5.319 0.203 -9.706 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.452 -1.971 -10.587 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.786 -1.481 -8.664 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.090 -0.376 -7.455 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.434 -2.020 -7.640 1.00 0.89 H new ATOM 526 N VAL A 52 2.414 1.913 -8.662 1.00 0.39 N ATOM 527 CA VAL A 52 1.736 3.027 -9.301 1.00 0.49 C ATOM 528 C VAL A 52 2.557 4.300 -9.181 1.00 0.58 C ATOM 529 O VAL A 52 3.716 4.266 -8.763 1.00 0.80 O ATOM 530 CB VAL A 52 0.333 3.263 -8.701 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.723 2.552 -9.530 1.00 1.38 C ATOM 532 CG2 VAL A 52 0.271 2.792 -7.253 1.00 1.04 C ATOM 0 H VAL A 52 2.469 1.983 -7.646 1.00 0.39 H new ATOM 0 HA VAL A 52 1.622 2.768 -10.354 1.00 0.49 H new ATOM 0 HB VAL A 52 0.134 4.334 -8.719 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.707 2.728 -9.094 1.00 1.38 H new ATOM 0 HG12 VAL A 52 -0.704 2.936 -10.550 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.517 1.482 -9.541 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.728 2.970 -6.855 1.00 1.04 H new ATOM 0 HG22 VAL A 52 0.495 1.726 -7.207 1.00 1.04 H new ATOM 0 HG23 VAL A 52 1.001 3.342 -6.660 1.00 1.04 H new ATOM 542 N GLY A 53 1.954 5.414 -9.560 1.00 0.66 N ATOM 543 CA GLY A 53 2.640 6.683 -9.511 1.00 0.75 C ATOM 544 C GLY A 53 1.679 7.849 -9.500 1.00 0.81 C ATOM 545 O GLY A 53 1.078 8.158 -10.527 1.00 1.24 O ATOM 0 H GLY A 53 0.995 5.460 -9.903 1.00 0.66 H new ATOM 0 HA2 GLY A 53 3.266 6.722 -8.620 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.304 6.769 -10.371 1.00 0.75 H new ATOM 549 N ASP A 54 1.519 8.440 -8.313 1.00 0.71 N ATOM 550 CA ASP A 54 0.720 9.656 -8.072 1.00 0.82 C ATOM 551 C ASP A 54 -0.647 9.301 -7.496 1.00 0.70 C ATOM 552 O ASP A 54 -1.126 8.181 -7.678 1.00 0.64 O ATOM 553 CB ASP A 54 0.573 10.535 -9.326 1.00 1.08 C ATOM 554 CG ASP A 54 -0.272 11.766 -9.087 1.00 1.34 C ATOM 555 OD1 ASP A 54 0.263 12.762 -8.561 1.00 1.75 O ATOM 556 OD2 ASP A 54 -1.478 11.740 -9.414 1.00 1.98 O ATOM 0 H ASP A 54 1.953 8.078 -7.464 1.00 0.71 H new ATOM 0 HA ASP A 54 1.269 10.248 -7.340 1.00 0.82 H new ATOM 0 HB2 ASP A 54 1.562 10.840 -9.667 1.00 1.08 H new ATOM 0 HB3 ASP A 54 0.128 9.945 -10.127 1.00 1.08 H new ATOM 561 N GLU A 55 -1.267 10.249 -6.795 1.00 0.80 N ATOM 562 CA GLU A 55 -2.548 10.018 -6.133 1.00 0.79 C ATOM 563 C GLU A 55 -3.613 9.548 -7.117 1.00 0.69 C ATOM 564 O GLU A 55 -4.473 8.734 -6.773 1.00 0.71 O ATOM 565 CB GLU A 55 -3.025 11.293 -5.445 1.00 0.95 C ATOM 566 CG GLU A 55 -2.061 11.819 -4.396 1.00 0.90 C ATOM 567 CD GLU A 55 -2.655 12.950 -3.587 1.00 1.53 C ATOM 568 OE1 GLU A 55 -2.696 14.091 -4.090 1.00 2.16 O ATOM 569 OE2 GLU A 55 -3.092 12.706 -2.445 1.00 2.21 O ATOM 0 H GLU A 55 -0.898 11.192 -6.671 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.394 9.234 -5.392 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.184 12.064 -6.199 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -3.990 11.103 -4.976 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.777 11.007 -3.727 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.149 12.164 -4.884 1.00 0.90 H new ATOM 576 N GLU A 56 -3.553 10.056 -8.337 1.00 0.70 N ATOM 577 CA GLU A 56 -4.526 9.693 -9.353 1.00 0.70 C ATOM 578 C GLU A 56 -4.343 8.240 -9.774 1.00 0.66 C ATOM 579 O GLU A 56 -5.318 7.507 -9.960 1.00 0.67 O ATOM 580 CB GLU A 56 -4.407 10.630 -10.548 1.00 0.82 C ATOM 581 CG GLU A 56 -4.717 12.076 -10.195 1.00 0.93 C ATOM 582 CD GLU A 56 -6.156 12.268 -9.766 1.00 1.33 C ATOM 583 OE1 GLU A 56 -7.027 12.431 -10.646 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.427 12.246 -8.548 1.00 1.89 O ATOM 0 H GLU A 56 -2.843 10.719 -8.647 1.00 0.70 H new ATOM 0 HA GLU A 56 -5.528 9.795 -8.936 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -3.397 10.568 -10.953 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -5.087 10.299 -11.333 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -4.055 12.402 -9.393 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -4.510 12.710 -11.057 1.00 0.93 H new ATOM 591 N GLU A 57 -3.090 7.816 -9.890 1.00 0.65 N ATOM 592 CA GLU A 57 -2.787 6.426 -10.186 1.00 0.65 C ATOM 593 C GLU A 57 -3.179 5.543 -9.008 1.00 0.55 C ATOM 594 O GLU A 57 -3.566 4.384 -9.181 1.00 0.52 O ATOM 595 CB GLU A 57 -1.309 6.250 -10.521 1.00 0.73 C ATOM 596 CG GLU A 57 -1.054 5.886 -11.976 1.00 1.11 C ATOM 597 CD GLU A 57 -1.657 6.874 -12.950 1.00 1.52 C ATOM 598 OE1 GLU A 57 -1.073 7.961 -13.146 1.00 2.13 O ATOM 599 OE2 GLU A 57 -2.708 6.561 -13.541 1.00 2.16 O ATOM 0 H GLU A 57 -2.271 8.415 -9.783 1.00 0.65 H new ATOM 0 HA GLU A 57 -3.366 6.125 -11.059 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -0.780 7.174 -10.288 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -0.890 5.473 -9.882 1.00 0.73 H new ATOM 0 HG2 GLU A 57 0.021 5.827 -12.146 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -1.463 4.895 -12.173 1.00 1.11 H new ATOM 606 N LEU A 58 -3.092 6.112 -7.812 1.00 0.52 N ATOM 607 CA LEU A 58 -3.487 5.420 -6.594 1.00 0.48 C ATOM 608 C LEU A 58 -4.965 5.050 -6.648 1.00 0.46 C ATOM 609 O LEU A 58 -5.341 3.945 -6.274 1.00 0.44 O ATOM 610 CB LEU A 58 -3.216 6.300 -5.372 1.00 0.52 C ATOM 611 CG LEU A 58 -3.385 5.612 -4.017 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.261 4.620 -3.778 1.00 0.83 C ATOM 613 CD2 LEU A 58 -3.438 6.641 -2.899 1.00 0.74 C ATOM 0 H LEU A 58 -2.748 7.060 -7.660 1.00 0.52 H new ATOM 0 HA LEU A 58 -2.898 4.507 -6.511 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -2.198 6.684 -5.441 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.885 7.160 -5.409 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.328 5.065 -4.025 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.399 4.141 -2.809 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.271 3.863 -4.562 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.305 5.143 -3.791 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -3.559 6.133 -1.942 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -2.512 7.217 -2.890 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -4.281 7.312 -3.062 1.00 0.74 H new ATOM 625 N LYS A 59 -5.789 5.975 -7.146 1.00 0.52 N ATOM 626 CA LYS A 59 -7.235 5.758 -7.243 1.00 0.57 C ATOM 627 C LYS A 59 -7.541 4.500 -8.030 1.00 0.51 C ATOM 628 O LYS A 59 -8.468 3.748 -7.718 1.00 0.58 O ATOM 629 CB LYS A 59 -7.920 6.937 -7.932 1.00 0.69 C ATOM 630 CG LYS A 59 -7.569 8.295 -7.351 1.00 0.76 C ATOM 631 CD LYS A 59 -8.310 9.415 -8.066 1.00 0.97 C ATOM 632 CE LYS A 59 -8.229 9.275 -9.581 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.835 10.435 -10.284 1.00 2.26 N ATOM 0 H LYS A 59 -5.479 6.884 -7.489 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.613 5.657 -6.226 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -7.654 6.928 -8.989 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.000 6.799 -7.873 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -7.817 8.313 -6.290 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -6.494 8.459 -7.430 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -9.355 9.414 -7.757 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -7.891 10.376 -7.768 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -7.185 9.176 -9.880 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -8.737 8.361 -9.888 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -9.513 10.094 -10.995 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -9.329 11.039 -9.596 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -8.088 10.985 -10.754 1.00 2.26 H new ATOM 647 N LYS A 60 -6.744 4.291 -9.050 1.00 0.49 N ATOM 648 CA LYS A 60 -6.931 3.185 -9.967 1.00 0.48 C ATOM 649 C LYS A 60 -6.455 1.878 -9.349 1.00 0.41 C ATOM 650 O LYS A 60 -7.128 0.853 -9.452 1.00 0.41 O ATOM 651 CB LYS A 60 -6.180 3.503 -11.245 1.00 0.58 C ATOM 652 CG LYS A 60 -6.483 4.910 -11.725 1.00 0.72 C ATOM 653 CD LYS A 60 -5.504 5.374 -12.788 1.00 1.19 C ATOM 654 CE LYS A 60 -5.643 4.575 -14.074 1.00 1.91 C ATOM 655 NZ LYS A 60 -6.981 4.743 -14.695 1.00 2.35 N ATOM 0 H LYS A 60 -5.944 4.884 -9.271 1.00 0.49 H new ATOM 0 HA LYS A 60 -7.990 3.056 -10.189 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.108 3.397 -11.076 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.453 2.785 -12.019 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -7.496 4.946 -12.126 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.451 5.596 -10.879 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -5.669 6.431 -12.997 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -4.486 5.280 -12.410 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -4.874 4.889 -14.780 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -5.471 3.519 -13.864 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -6.963 4.369 -15.665 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -7.690 4.225 -14.137 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -7.229 5.753 -14.718 1.00 2.35 H new ATOM 669 N ALA A 61 -5.305 1.925 -8.688 1.00 0.40 N ATOM 670 CA ALA A 61 -4.784 0.768 -7.977 1.00 0.39 C ATOM 671 C ALA A 61 -5.732 0.384 -6.847 1.00 0.32 C ATOM 672 O ALA A 61 -5.946 -0.795 -6.569 1.00 0.34 O ATOM 673 CB ALA A 61 -3.400 1.071 -7.431 1.00 0.47 C ATOM 0 H ALA A 61 -4.715 2.755 -8.631 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.706 -0.071 -8.668 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -3.019 0.198 -6.900 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.730 1.316 -8.255 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.456 1.916 -6.745 1.00 0.47 H new ATOM 679 N ILE A 62 -6.299 1.404 -6.218 1.00 0.31 N ATOM 680 CA ILE A 62 -7.274 1.236 -5.152 1.00 0.37 C ATOM 681 C ILE A 62 -8.465 0.397 -5.606 1.00 0.36 C ATOM 682 O ILE A 62 -8.844 -0.564 -4.937 1.00 0.38 O ATOM 683 CB ILE A 62 -7.751 2.618 -4.647 1.00 0.49 C ATOM 684 CG1 ILE A 62 -6.726 3.193 -3.667 1.00 0.45 C ATOM 685 CG2 ILE A 62 -9.134 2.539 -4.018 1.00 0.83 C ATOM 686 CD1 ILE A 62 -7.004 4.622 -3.261 1.00 0.53 C ATOM 0 H ILE A 62 -6.093 2.379 -6.436 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.788 0.703 -4.335 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.832 3.288 -5.503 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -6.702 2.569 -2.773 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.736 3.140 -4.119 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -9.435 3.529 -3.675 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -9.850 2.178 -4.757 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -9.110 1.854 -3.171 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -6.235 4.959 -2.566 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.998 5.259 -4.145 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -7.980 4.680 -2.779 1.00 0.53 H new ATOM 698 N LYS A 63 -9.041 0.748 -6.749 1.00 0.37 N ATOM 699 CA LYS A 63 -10.201 0.031 -7.253 1.00 0.40 C ATOM 700 C LYS A 63 -9.821 -1.388 -7.659 1.00 0.35 C ATOM 701 O LYS A 63 -10.570 -2.327 -7.411 1.00 0.40 O ATOM 702 CB LYS A 63 -10.844 0.788 -8.423 1.00 0.49 C ATOM 703 CG LYS A 63 -12.048 0.082 -9.047 1.00 0.59 C ATOM 704 CD LYS A 63 -13.049 -0.407 -8.002 1.00 1.21 C ATOM 705 CE LYS A 63 -13.563 0.718 -7.118 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.481 0.211 -6.062 1.00 2.76 N ATOM 0 H LYS A 63 -8.726 1.518 -7.339 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.938 -0.034 -6.453 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -11.156 1.773 -8.075 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -10.091 0.946 -9.195 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -12.549 0.765 -9.733 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -11.701 -0.766 -9.637 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -13.891 -0.883 -8.505 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -12.577 -1.167 -7.380 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -12.720 1.230 -6.653 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.084 1.454 -7.731 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.427 0.831 -5.228 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -15.456 0.202 -6.424 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -14.202 -0.754 -5.794 1.00 2.76 H new ATOM 720 N LYS A 64 -8.645 -1.548 -8.250 1.00 0.34 N ATOM 721 CA LYS A 64 -8.180 -2.869 -8.652 1.00 0.39 C ATOM 722 C LYS A 64 -7.963 -3.757 -7.429 1.00 0.35 C ATOM 723 O LYS A 64 -8.265 -4.949 -7.455 1.00 0.40 O ATOM 724 CB LYS A 64 -6.897 -2.765 -9.480 1.00 0.51 C ATOM 725 CG LYS A 64 -7.085 -1.991 -10.776 1.00 1.05 C ATOM 726 CD LYS A 64 -5.868 -2.085 -11.684 1.00 1.04 C ATOM 727 CE LYS A 64 -4.634 -1.459 -11.058 1.00 1.59 C ATOM 728 NZ LYS A 64 -3.478 -1.487 -11.988 1.00 2.11 N ATOM 0 H LYS A 64 -8.000 -0.787 -8.461 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.949 -3.326 -9.275 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -6.125 -2.280 -8.883 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.539 -3.768 -9.711 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -7.959 -2.374 -11.302 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.285 -0.944 -10.546 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -5.667 -3.132 -11.911 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -6.084 -1.589 -12.630 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -4.851 -0.429 -10.776 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.379 -1.993 -10.143 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -2.652 -1.052 -11.529 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -3.256 -2.472 -12.237 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -3.714 -0.957 -12.851 1.00 2.11 H new ATOM 742 N ALA A 65 -7.455 -3.166 -6.354 1.00 0.30 N ATOM 743 CA ALA A 65 -7.267 -3.885 -5.101 1.00 0.30 C ATOM 744 C ALA A 65 -8.614 -4.276 -4.503 1.00 0.33 C ATOM 745 O ALA A 65 -8.829 -5.427 -4.123 1.00 0.38 O ATOM 746 CB ALA A 65 -6.472 -3.036 -4.121 1.00 0.31 C ATOM 0 H ALA A 65 -7.165 -2.188 -6.326 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.705 -4.797 -5.303 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.339 -3.585 -3.189 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.496 -2.804 -4.548 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -7.010 -2.109 -3.922 1.00 0.31 H new ATOM 752 N ASP A 66 -9.517 -3.305 -4.441 1.00 0.35 N ATOM 753 CA ASP A 66 -10.872 -3.517 -3.934 1.00 0.41 C ATOM 754 C ASP A 66 -11.618 -4.558 -4.777 1.00 0.40 C ATOM 755 O ASP A 66 -12.428 -5.329 -4.257 1.00 0.47 O ATOM 756 CB ASP A 66 -11.615 -2.169 -3.893 1.00 0.48 C ATOM 757 CG ASP A 66 -13.126 -2.287 -3.898 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.726 -2.361 -2.809 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.731 -2.248 -4.993 1.00 1.36 O ATOM 0 H ASP A 66 -9.333 -2.347 -4.740 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.823 -3.915 -2.920 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.308 -1.626 -2.999 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.306 -1.572 -4.751 1.00 0.48 H new ATOM 764 N ASP A 67 -11.320 -4.594 -6.073 1.00 0.36 N ATOM 765 CA ASP A 67 -11.875 -5.611 -6.961 1.00 0.38 C ATOM 766 C ASP A 67 -11.340 -6.995 -6.612 1.00 0.40 C ATOM 767 O ASP A 67 -12.107 -7.892 -6.255 1.00 0.48 O ATOM 768 CB ASP A 67 -11.547 -5.310 -8.428 1.00 0.42 C ATOM 769 CG ASP A 67 -12.554 -4.396 -9.096 1.00 0.95 C ATOM 770 OD1 ASP A 67 -13.773 -4.658 -8.977 1.00 1.66 O ATOM 771 OD2 ASP A 67 -12.138 -3.437 -9.775 1.00 1.68 O ATOM 0 H ASP A 67 -10.697 -3.930 -6.532 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.956 -5.594 -6.824 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -10.559 -4.853 -8.485 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -11.497 -6.248 -8.981 1.00 0.42 H new ATOM 776 N ILE A 68 -10.019 -7.154 -6.695 1.00 0.37 N ATOM 777 CA ILE A 68 -9.378 -8.456 -6.507 1.00 0.41 C ATOM 778 C ILE A 68 -9.681 -9.030 -5.126 1.00 0.41 C ATOM 779 O ILE A 68 -9.897 -10.235 -4.978 1.00 0.47 O ATOM 780 CB ILE A 68 -7.846 -8.361 -6.701 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.515 -7.864 -8.112 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.184 -9.712 -6.447 1.00 0.48 C ATOM 783 CD1 ILE A 68 -6.041 -7.593 -8.334 1.00 0.51 C ATOM 0 H ILE A 68 -9.369 -6.393 -6.892 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.789 -9.124 -7.264 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.455 -7.645 -5.978 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -7.852 -8.605 -8.837 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -8.076 -6.950 -8.306 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.107 -9.622 -6.589 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.390 -10.032 -5.425 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.582 -10.449 -7.145 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.885 -7.245 -9.355 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.702 -6.829 -7.634 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.474 -8.510 -8.173 1.00 0.51 H new ATOM 795 N ALA A 69 -9.719 -8.158 -4.125 1.00 0.39 N ATOM 796 CA ALA A 69 -9.986 -8.568 -2.751 1.00 0.43 C ATOM 797 C ALA A 69 -11.294 -9.330 -2.646 1.00 0.47 C ATOM 798 O ALA A 69 -11.356 -10.417 -2.074 1.00 0.53 O ATOM 799 CB ALA A 69 -10.038 -7.351 -1.840 1.00 0.46 C ATOM 0 H ALA A 69 -9.567 -7.156 -4.241 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.175 -9.226 -2.439 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -10.238 -7.670 -0.817 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -9.082 -6.828 -1.877 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.831 -6.681 -2.173 1.00 0.46 H new ATOM 805 N LYS A 70 -12.325 -8.763 -3.239 1.00 0.52 N ATOM 806 CA LYS A 70 -13.680 -9.250 -3.063 1.00 0.65 C ATOM 807 C LYS A 70 -14.024 -10.357 -4.034 1.00 0.63 C ATOM 808 O LYS A 70 -15.069 -11.001 -3.914 1.00 0.72 O ATOM 809 CB LYS A 70 -14.642 -8.089 -3.211 1.00 0.87 C ATOM 810 CG LYS A 70 -14.464 -7.048 -2.117 1.00 1.09 C ATOM 811 CD LYS A 70 -15.214 -5.761 -2.396 1.00 1.14 C ATOM 812 CE LYS A 70 -15.125 -4.834 -1.195 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.676 -3.488 -1.474 1.00 1.50 N ATOM 0 H LYS A 70 -12.249 -7.954 -3.855 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.763 -9.679 -2.064 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.494 -7.619 -4.184 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.665 -8.463 -3.190 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -14.806 -7.463 -1.169 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.403 -6.826 -2.003 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -14.796 -5.271 -3.275 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.258 -5.980 -2.619 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -15.664 -5.277 -0.358 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -14.083 -4.740 -0.889 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -15.891 -3.008 -0.577 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -14.978 -2.931 -2.006 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -16.547 -3.579 -2.035 1.00 1.50 H new ATOM 827 N LYS A 71 -13.165 -10.570 -5.006 1.00 0.62 N ATOM 828 CA LYS A 71 -13.324 -11.702 -5.889 1.00 0.76 C ATOM 829 C LYS A 71 -13.064 -12.987 -5.116 1.00 0.83 C ATOM 830 O LYS A 71 -13.679 -14.019 -5.383 1.00 1.03 O ATOM 831 CB LYS A 71 -12.371 -11.607 -7.083 1.00 0.84 C ATOM 832 CG LYS A 71 -12.627 -10.408 -7.977 1.00 1.26 C ATOM 833 CD LYS A 71 -11.662 -10.373 -9.149 1.00 1.71 C ATOM 834 CE LYS A 71 -11.882 -9.145 -10.017 1.00 2.27 C ATOM 835 NZ LYS A 71 -13.256 -9.101 -10.583 1.00 2.71 N ATOM 0 H LYS A 71 -12.357 -9.980 -5.203 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.344 -11.704 -6.272 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -11.346 -11.562 -6.715 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -12.457 -12.517 -7.678 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.651 -10.442 -8.348 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -12.529 -9.491 -7.395 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -10.637 -10.378 -8.778 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -11.787 -11.273 -9.752 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -11.705 -8.247 -9.426 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -11.155 -9.140 -10.829 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -13.304 -8.370 -11.322 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -13.491 -10.026 -10.995 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -13.935 -8.876 -9.828 1.00 2.71 H new ATOM 849 N GLN A 72 -12.141 -12.925 -4.162 1.00 0.79 N ATOM 850 CA GLN A 72 -11.739 -14.141 -3.454 1.00 1.04 C ATOM 851 C GLN A 72 -11.824 -14.055 -1.919 1.00 1.06 C ATOM 852 O GLN A 72 -12.461 -14.891 -1.282 1.00 1.22 O ATOM 853 CB GLN A 72 -10.327 -14.561 -3.889 1.00 1.24 C ATOM 854 CG GLN A 72 -9.264 -13.482 -3.723 1.00 1.20 C ATOM 855 CD GLN A 72 -7.905 -13.926 -4.233 1.00 1.56 C ATOM 856 OE1 GLN A 72 -7.807 -14.720 -5.167 1.00 2.22 O ATOM 857 NE2 GLN A 72 -6.845 -13.428 -3.617 1.00 1.60 N ATOM 0 H GLN A 72 -11.667 -12.072 -3.865 1.00 0.79 H new ATOM 0 HA GLN A 72 -12.468 -14.900 -3.738 1.00 1.04 H new ATOM 0 HB2 GLN A 72 -10.029 -15.437 -3.313 1.00 1.24 H new ATOM 0 HB3 GLN A 72 -10.359 -14.863 -4.936 1.00 1.24 H new ATOM 0 HG2 GLN A 72 -9.574 -12.584 -4.258 1.00 1.20 H new ATOM 0 HG3 GLN A 72 -9.184 -13.214 -2.670 1.00 1.20 H new ATOM 0 HE21 GLN A 72 -6.965 -12.771 -2.846 1.00 1.60 H new ATOM 0 HE22 GLN A 72 -5.908 -13.701 -3.913 1.00 1.60 H new ATOM 866 N ASN A 73 -11.193 -13.045 -1.332 1.00 1.03 N ATOM 867 CA ASN A 73 -10.875 -13.067 0.102 1.00 1.18 C ATOM 868 C ASN A 73 -11.624 -12.022 0.922 1.00 1.00 C ATOM 869 O ASN A 73 -11.213 -11.720 2.047 1.00 1.24 O ATOM 870 CB ASN A 73 -9.369 -12.923 0.327 1.00 1.56 C ATOM 871 CG ASN A 73 -8.580 -14.147 -0.111 1.00 1.73 C ATOM 872 OD1 ASN A 73 -7.432 -14.035 -0.543 1.00 2.41 O ATOM 873 ND2 ASN A 73 -9.176 -15.325 0.007 1.00 2.12 N ATOM 0 H ASN A 73 -10.890 -12.201 -1.819 1.00 1.03 H new ATOM 0 HA ASN A 73 -11.214 -14.040 0.459 1.00 1.18 H new ATOM 0 HB2 ASN A 73 -9.008 -12.051 -0.219 1.00 1.56 H new ATOM 0 HB3 ASN A 73 -9.182 -12.737 1.385 1.00 1.56 H new ATOM 0 HD21 ASN A 73 -8.683 -16.176 -0.264 1.00 2.12 H new ATOM 0 HD22 ASN A 73 -10.128 -15.381 0.369 1.00 2.12 H new ATOM 880 N SER A 74 -12.679 -11.448 0.358 1.00 1.13 N ATOM 881 CA SER A 74 -13.394 -10.317 0.966 1.00 1.53 C ATOM 882 C SER A 74 -13.908 -10.557 2.393 1.00 1.47 C ATOM 883 O SER A 74 -14.526 -9.662 2.974 1.00 1.93 O ATOM 884 CB SER A 74 -14.552 -9.919 0.077 1.00 2.50 C ATOM 885 OG SER A 74 -14.913 -10.984 -0.790 1.00 3.38 O ATOM 0 H SER A 74 -13.069 -11.749 -0.535 1.00 1.13 H new ATOM 0 HA SER A 74 -12.656 -9.520 1.053 1.00 1.53 H new ATOM 0 HB2 SER A 74 -15.408 -9.638 0.691 1.00 2.50 H new ATOM 0 HB3 SER A 74 -14.280 -9.042 -0.511 1.00 2.50 H new ATOM 0 HG SER A 74 -15.664 -10.706 -1.355 1.00 3.38 H new ATOM 891 N SER A 75 -13.672 -11.739 2.955 1.00 1.40 N ATOM 892 CA SER A 75 -13.920 -11.966 4.373 1.00 2.05 C ATOM 893 C SER A 75 -13.248 -10.850 5.179 1.00 1.90 C ATOM 894 O SER A 75 -13.800 -10.342 6.159 1.00 2.43 O ATOM 895 CB SER A 75 -13.381 -13.337 4.793 1.00 2.46 C ATOM 896 OG SER A 75 -13.784 -13.672 6.109 1.00 2.75 O ATOM 0 H SER A 75 -13.311 -12.550 2.452 1.00 1.40 H new ATOM 0 HA SER A 75 -14.993 -11.954 4.566 1.00 2.05 H new ATOM 0 HB2 SER A 75 -13.736 -14.097 4.098 1.00 2.46 H new ATOM 0 HB3 SER A 75 -12.293 -13.335 4.734 1.00 2.46 H new ATOM 0 HG SER A 75 -13.426 -14.553 6.347 1.00 2.75 H new ATOM 902 N GLU A 76 -12.057 -10.464 4.728 1.00 1.26 N ATOM 903 CA GLU A 76 -11.360 -9.293 5.238 1.00 1.12 C ATOM 904 C GLU A 76 -10.160 -9.000 4.347 1.00 0.74 C ATOM 905 O GLU A 76 -9.474 -9.918 3.892 1.00 0.88 O ATOM 906 CB GLU A 76 -10.910 -9.477 6.690 1.00 1.46 C ATOM 907 CG GLU A 76 -10.426 -8.185 7.332 1.00 1.50 C ATOM 908 CD GLU A 76 -11.471 -7.089 7.270 1.00 2.10 C ATOM 909 OE1 GLU A 76 -11.595 -6.439 6.210 1.00 2.76 O ATOM 910 OE2 GLU A 76 -12.183 -6.881 8.277 1.00 2.59 O ATOM 0 H GLU A 76 -11.549 -10.959 3.995 1.00 1.26 H new ATOM 0 HA GLU A 76 -12.052 -8.451 5.223 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -11.739 -9.877 7.273 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -10.109 -10.216 6.725 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -10.162 -8.375 8.372 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -9.519 -7.849 6.829 1.00 1.50 H new ATOM 917 N ALA A 77 -9.919 -7.726 4.094 1.00 0.55 N ATOM 918 CA ALA A 77 -8.851 -7.316 3.202 1.00 0.44 C ATOM 919 C ALA A 77 -8.110 -6.118 3.770 1.00 0.37 C ATOM 920 O ALA A 77 -8.717 -5.227 4.367 1.00 0.42 O ATOM 921 CB ALA A 77 -9.410 -6.989 1.825 1.00 0.71 C ATOM 0 H ALA A 77 -10.452 -6.955 4.496 1.00 0.55 H new ATOM 0 HA ALA A 77 -8.146 -8.142 3.106 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.598 -6.683 1.166 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.899 -7.871 1.412 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -10.134 -6.178 1.909 1.00 0.71 H new ATOM 927 N LYS A 78 -6.803 -6.101 3.589 1.00 0.35 N ATOM 928 CA LYS A 78 -5.989 -5.005 4.075 1.00 0.37 C ATOM 929 C LYS A 78 -5.149 -4.438 2.945 1.00 0.33 C ATOM 930 O LYS A 78 -4.582 -5.181 2.143 1.00 0.37 O ATOM 931 CB LYS A 78 -5.087 -5.460 5.223 1.00 0.50 C ATOM 932 CG LYS A 78 -5.848 -5.985 6.430 1.00 0.63 C ATOM 933 CD LYS A 78 -4.924 -6.191 7.615 1.00 0.89 C ATOM 934 CE LYS A 78 -5.685 -6.687 8.832 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.830 -6.703 10.045 1.00 1.67 N ATOM 0 H LYS A 78 -6.283 -6.835 3.108 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.654 -4.227 4.451 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.418 -6.240 4.860 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.462 -4.623 5.535 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.637 -5.283 6.699 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.333 -6.928 6.176 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.147 -6.909 7.352 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.423 -5.253 7.855 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -6.551 -6.048 9.005 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -6.063 -7.691 8.640 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -5.411 -6.933 10.876 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -4.085 -7.420 9.935 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.394 -5.768 10.175 1.00 1.67 H new ATOM 949 N ILE A 79 -5.088 -3.121 2.874 1.00 0.29 N ATOM 950 CA ILE A 79 -4.327 -2.454 1.837 1.00 0.29 C ATOM 951 C ILE A 79 -3.277 -1.546 2.458 1.00 0.29 C ATOM 952 O ILE A 79 -3.599 -0.646 3.238 1.00 0.40 O ATOM 953 CB ILE A 79 -5.236 -1.625 0.902 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.290 -2.524 0.246 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.404 -0.917 -0.161 1.00 0.35 C ATOM 956 CD1 ILE A 79 -7.261 -1.778 -0.644 1.00 0.49 C ATOM 0 H ILE A 79 -5.558 -2.492 3.525 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.841 -3.227 1.241 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.748 -0.870 1.499 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.785 -3.289 -0.344 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.850 -3.040 1.026 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -5.060 -0.338 -0.811 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.690 -0.250 0.321 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.866 -1.656 -0.755 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.976 -2.481 -1.072 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.794 -1.031 -0.055 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.713 -1.284 -1.446 1.00 0.49 H new ATOM 968 N LEU A 80 -2.027 -1.807 2.139 1.00 0.23 N ATOM 969 CA LEU A 80 -0.936 -0.966 2.589 1.00 0.28 C ATOM 970 C LEU A 80 -0.613 0.036 1.495 1.00 0.30 C ATOM 971 O LEU A 80 -0.363 -0.348 0.358 1.00 0.45 O ATOM 972 CB LEU A 80 0.305 -1.812 2.897 1.00 0.40 C ATOM 973 CG LEU A 80 1.108 -1.397 4.137 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.428 -2.146 4.189 1.00 1.22 C ATOM 975 CD2 LEU A 80 1.351 0.100 4.175 1.00 1.40 C ATOM 0 H LEU A 80 -1.739 -2.600 1.566 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.232 -0.447 3.501 1.00 0.28 H new ATOM 0 HB2 LEU A 80 -0.007 -2.849 3.021 1.00 0.40 H new ATOM 0 HB3 LEU A 80 0.967 -1.780 2.032 1.00 0.40 H new ATOM 0 HG LEU A 80 0.515 -1.658 5.014 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.985 -1.840 5.074 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.236 -3.218 4.233 1.00 1.22 H new ATOM 0 HD13 LEU A 80 3.011 -1.918 3.297 1.00 1.22 H new ATOM 0 HD21 LEU A 80 1.923 0.353 5.068 1.00 1.40 H new ATOM 0 HD22 LEU A 80 1.910 0.400 3.289 1.00 1.40 H new ATOM 0 HD23 LEU A 80 0.395 0.623 4.196 1.00 1.40 H new ATOM 987 N ILE A 81 -0.639 1.310 1.823 1.00 0.27 N ATOM 988 CA ILE A 81 -0.333 2.334 0.843 1.00 0.27 C ATOM 989 C ILE A 81 0.922 3.091 1.245 1.00 0.27 C ATOM 990 O ILE A 81 0.893 3.931 2.140 1.00 0.33 O ATOM 991 CB ILE A 81 -1.505 3.324 0.662 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.760 2.589 0.179 1.00 0.28 C ATOM 993 CG2 ILE A 81 -1.122 4.428 -0.320 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.975 3.482 0.032 1.00 0.38 C ATOM 0 H ILE A 81 -0.867 1.661 2.753 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.166 1.833 -0.110 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.724 3.780 1.628 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.547 2.120 -0.782 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.993 1.788 0.880 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.958 5.117 -0.437 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.256 4.969 0.061 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.878 3.987 -1.286 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.822 2.890 -0.313 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.215 3.931 0.996 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.763 4.269 -0.692 1.00 0.38 H new ATOM 1006 N LEU A 82 2.031 2.749 0.615 1.00 0.27 N ATOM 1007 CA LEU A 82 3.274 3.483 0.798 1.00 0.31 C ATOM 1008 C LEU A 82 3.272 4.726 -0.076 1.00 0.34 C ATOM 1009 O LEU A 82 3.014 4.651 -1.275 1.00 0.59 O ATOM 1010 CB LEU A 82 4.492 2.617 0.450 1.00 0.43 C ATOM 1011 CG LEU A 82 4.868 1.546 1.477 1.00 0.76 C ATOM 1012 CD1 LEU A 82 3.795 0.480 1.573 1.00 1.61 C ATOM 1013 CD2 LEU A 82 6.200 0.916 1.114 1.00 1.08 C ATOM 0 H LEU A 82 2.098 1.963 -0.032 1.00 0.27 H new ATOM 0 HA LEU A 82 3.344 3.767 1.848 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.303 2.126 -0.505 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.351 3.273 0.307 1.00 0.43 H new ATOM 0 HG LEU A 82 4.955 2.028 2.451 1.00 0.76 H new ATOM 0 HD11 LEU A 82 4.089 -0.267 2.310 1.00 1.61 H new ATOM 0 HD12 LEU A 82 2.853 0.938 1.876 1.00 1.61 H new ATOM 0 HD13 LEU A 82 3.669 0.002 0.602 1.00 1.61 H new ATOM 0 HD21 LEU A 82 6.456 0.156 1.852 1.00 1.08 H new ATOM 0 HD22 LEU A 82 6.128 0.455 0.129 1.00 1.08 H new ATOM 0 HD23 LEU A 82 6.974 1.684 1.100 1.00 1.08 H new ATOM 1025 N LEU A 83 3.545 5.866 0.522 1.00 0.35 N ATOM 1026 CA LEU A 83 3.590 7.119 -0.214 1.00 0.42 C ATOM 1027 C LEU A 83 4.523 8.086 0.469 1.00 0.44 C ATOM 1028 O LEU A 83 4.692 8.032 1.686 1.00 0.55 O ATOM 1029 CB LEU A 83 2.195 7.763 -0.351 1.00 0.45 C ATOM 1030 CG LEU A 83 1.469 8.196 0.939 1.00 0.49 C ATOM 1031 CD1 LEU A 83 0.129 8.815 0.585 1.00 1.17 C ATOM 1032 CD2 LEU A 83 1.251 7.039 1.900 1.00 1.13 C ATOM 0 H LEU A 83 3.740 5.955 1.519 1.00 0.35 H new ATOM 0 HA LEU A 83 3.954 6.892 -1.216 1.00 0.42 H new ATOM 0 HB2 LEU A 83 2.293 8.641 -0.990 1.00 0.45 H new ATOM 0 HB3 LEU A 83 1.551 7.057 -0.876 1.00 0.45 H new ATOM 0 HG LEU A 83 2.107 8.924 1.441 1.00 0.49 H new ATOM 0 HD11 LEU A 83 -0.383 9.121 1.497 1.00 1.17 H new ATOM 0 HD12 LEU A 83 0.287 9.686 -0.051 1.00 1.17 H new ATOM 0 HD13 LEU A 83 -0.481 8.084 0.054 1.00 1.17 H new ATOM 0 HD21 LEU A 83 0.736 7.398 2.791 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.646 6.273 1.416 1.00 1.13 H new ATOM 0 HD23 LEU A 83 2.214 6.615 2.183 1.00 1.13 H new ATOM 1044 N GLU A 84 5.148 8.958 -0.300 1.00 0.43 N ATOM 1045 CA GLU A 84 5.934 10.003 0.302 1.00 0.45 C ATOM 1046 C GLU A 84 5.188 11.328 0.222 1.00 0.47 C ATOM 1047 O GLU A 84 5.141 11.989 -0.817 1.00 0.54 O ATOM 1048 CB GLU A 84 7.316 10.091 -0.361 1.00 0.55 C ATOM 1049 CG GLU A 84 7.280 10.231 -1.875 1.00 1.29 C ATOM 1050 CD GLU A 84 8.663 10.284 -2.485 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.418 11.231 -2.184 1.00 1.94 O ATOM 1052 OE2 GLU A 84 8.997 9.386 -3.284 1.00 2.04 O ATOM 0 H GLU A 84 5.125 8.961 -1.320 1.00 0.43 H new ATOM 0 HA GLU A 84 6.092 9.768 1.355 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.852 10.943 0.058 1.00 0.55 H new ATOM 0 HB3 GLU A 84 7.886 9.198 -0.105 1.00 0.55 H new ATOM 0 HG2 GLU A 84 6.730 9.392 -2.301 1.00 1.29 H new ATOM 0 HG3 GLU A 84 6.735 11.137 -2.140 1.00 1.29 H new ATOM 1059 N LYS A 85 4.591 11.686 1.346 1.00 0.45 N ATOM 1060 CA LYS A 85 3.958 12.983 1.546 1.00 0.56 C ATOM 1061 C LYS A 85 3.545 13.105 3.013 1.00 0.53 C ATOM 1062 O LYS A 85 3.539 12.102 3.730 1.00 0.53 O ATOM 1063 CB LYS A 85 2.738 13.152 0.625 1.00 0.74 C ATOM 1064 CG LYS A 85 1.640 12.124 0.847 1.00 1.00 C ATOM 1065 CD LYS A 85 0.449 12.373 -0.067 1.00 0.91 C ATOM 1066 CE LYS A 85 -0.265 13.671 0.275 1.00 1.66 C ATOM 1067 NZ LYS A 85 -1.379 13.952 -0.663 1.00 2.02 N ATOM 0 H LYS A 85 4.530 11.075 2.160 1.00 0.45 H new ATOM 0 HA LYS A 85 4.667 13.772 1.294 1.00 0.56 H new ATOM 0 HB2 LYS A 85 2.322 14.149 0.772 1.00 0.74 H new ATOM 0 HB3 LYS A 85 3.069 13.095 -0.412 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.035 11.124 0.667 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.315 12.156 1.887 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.787 12.406 -1.103 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.251 11.541 0.014 1.00 0.91 H new ATOM 0 HE2 LYS A 85 -0.652 13.615 1.292 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.448 14.495 0.250 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -2.170 14.382 -0.143 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -1.053 14.607 -1.402 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.695 13.064 -1.102 1.00 2.02 H new ATOM 1081 N PRO A 86 3.220 14.317 3.491 1.00 0.60 N ATOM 1082 CA PRO A 86 2.711 14.512 4.851 1.00 0.62 C ATOM 1083 C PRO A 86 1.327 13.918 5.024 1.00 0.61 C ATOM 1084 O PRO A 86 0.395 14.253 4.289 1.00 0.68 O ATOM 1085 CB PRO A 86 2.670 16.037 5.025 1.00 0.74 C ATOM 1086 CG PRO A 86 3.455 16.593 3.885 1.00 0.85 C ATOM 1087 CD PRO A 86 3.343 15.592 2.773 1.00 0.74 C ATOM 0 HA PRO A 86 3.338 14.016 5.593 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.644 16.405 5.011 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.102 16.334 5.980 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.062 17.562 3.578 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.497 16.746 4.167 1.00 0.85 H new ATOM 0 HD2 PRO A 86 2.476 15.785 2.141 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.219 15.608 2.125 1.00 0.74 H new ATOM 1095 N VAL A 87 1.205 13.027 5.993 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.036 12.319 6.221 1.00 0.62 C ATOM 1097 C VAL A 87 -0.418 12.334 7.696 1.00 0.62 C ATOM 1098 O VAL A 87 0.314 11.822 8.545 1.00 0.66 O ATOM 1099 CB VAL A 87 0.061 10.852 5.754 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -1.223 10.121 6.059 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.379 10.759 4.270 1.00 0.88 C ATOM 0 H VAL A 87 1.957 12.778 6.636 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.801 12.835 5.641 1.00 0.62 H new ATOM 0 HB VAL A 87 0.879 10.382 6.300 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -1.141 9.087 5.724 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.407 10.141 7.133 1.00 1.17 H new ATOM 0 HG13 VAL A 87 -2.050 10.606 5.540 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.440 9.711 3.976 1.00 0.88 H new ATOM 0 HG22 VAL A 87 -0.407 11.251 3.698 1.00 0.88 H new ATOM 0 HG23 VAL A 87 1.333 11.248 4.071 1.00 0.88 H new ATOM 1111 N SER A 88 -1.567 12.916 7.991 1.00 0.69 N ATOM 1112 CA SER A 88 -2.126 12.880 9.331 1.00 0.76 C ATOM 1113 C SER A 88 -3.208 11.798 9.403 1.00 0.72 C ATOM 1114 O SER A 88 -3.623 11.290 8.360 1.00 0.69 O ATOM 1115 CB SER A 88 -2.691 14.260 9.681 1.00 0.92 C ATOM 1116 OG SER A 88 -3.413 14.804 8.590 1.00 1.44 O ATOM 0 H SER A 88 -2.136 13.424 7.313 1.00 0.69 H new ATOM 0 HA SER A 88 -1.351 12.634 10.057 1.00 0.76 H new ATOM 0 HB2 SER A 88 -3.344 14.180 10.550 1.00 0.92 H new ATOM 0 HB3 SER A 88 -1.877 14.932 9.954 1.00 0.92 H new ATOM 0 HG SER A 88 -3.765 15.684 8.837 1.00 1.44 H new ATOM 1122 N PRO A 89 -3.661 11.404 10.612 1.00 0.78 N ATOM 1123 CA PRO A 89 -4.700 10.375 10.774 1.00 0.79 C ATOM 1124 C PRO A 89 -5.902 10.576 9.847 1.00 0.67 C ATOM 1125 O PRO A 89 -6.408 9.617 9.257 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.117 10.534 12.233 1.00 0.98 C ATOM 1127 CG PRO A 89 -3.888 11.021 12.914 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.181 11.902 11.918 1.00 0.92 C ATOM 0 HA PRO A 89 -4.326 9.383 10.519 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -5.938 11.244 12.337 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.458 9.588 12.655 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.137 11.577 13.818 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.254 10.188 13.217 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -3.432 12.953 12.063 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.098 11.818 12.006 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.334 11.828 9.702 1.00 0.71 N ATOM 1137 CA GLU A 90 -7.464 12.162 8.838 1.00 0.72 C ATOM 1138 C GLU A 90 -7.220 11.686 7.404 1.00 0.64 C ATOM 1139 O GLU A 90 -8.143 11.243 6.722 1.00 0.68 O ATOM 1140 CB GLU A 90 -7.709 13.672 8.840 1.00 0.87 C ATOM 1141 CG GLU A 90 -8.975 14.082 8.104 1.00 1.24 C ATOM 1142 CD GLU A 90 -9.102 15.580 7.942 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -9.603 16.248 8.871 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -8.709 16.098 6.880 1.00 2.37 O ATOM 0 H GLU A 90 -5.916 12.630 10.174 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.344 11.652 9.230 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -7.768 14.021 9.871 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -6.855 14.171 8.383 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -8.985 13.613 7.120 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -9.843 13.705 8.646 1.00 1.24 H new ATOM 1151 N TYR A 91 -5.971 11.766 6.959 1.00 0.62 N ATOM 1152 CA TYR A 91 -5.618 11.383 5.598 1.00 0.62 C ATOM 1153 C TYR A 91 -5.724 9.878 5.403 1.00 0.52 C ATOM 1154 O TYR A 91 -6.220 9.421 4.378 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.213 11.870 5.239 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.160 13.328 4.843 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -3.846 13.701 3.542 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -4.429 14.331 5.764 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.802 15.031 3.173 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -4.387 15.662 5.403 1.00 3.00 C ATOM 1161 CZ TYR A 91 -4.072 16.006 4.107 1.00 2.89 C ATOM 1162 OH TYR A 91 -4.028 17.333 3.744 1.00 3.78 O ATOM 0 H TYR A 91 -5.186 12.093 7.522 1.00 0.62 H new ATOM 0 HA TYR A 91 -6.331 11.863 4.927 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -3.553 11.710 6.092 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -3.827 11.265 4.419 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -3.633 12.939 2.807 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -4.676 14.065 6.781 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -3.557 15.305 2.157 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -4.600 16.430 6.132 1.00 3.00 H new ATOM 0 HH TYR A 91 -4.244 17.892 4.520 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.277 9.107 6.388 1.00 0.48 N ATOM 1173 CA GLU A 92 -5.410 7.658 6.332 1.00 0.42 C ATOM 1174 C GLU A 92 -6.879 7.269 6.188 1.00 0.42 C ATOM 1175 O GLU A 92 -7.224 6.316 5.486 1.00 0.43 O ATOM 1176 CB GLU A 92 -4.815 7.014 7.584 1.00 0.48 C ATOM 1177 CG GLU A 92 -4.980 5.505 7.611 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.532 4.877 8.913 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.398 4.472 9.714 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.311 4.777 9.144 1.00 1.14 O ATOM 0 H GLU A 92 -4.822 9.460 7.230 1.00 0.48 H new ATOM 0 HA GLU A 92 -4.861 7.295 5.463 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -3.755 7.259 7.643 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.290 7.442 8.467 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.027 5.258 7.438 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.410 5.069 6.790 1.00 0.49 H new ATOM 1187 N LYS A 93 -7.738 8.045 6.833 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.163 7.815 6.799 1.00 0.54 C ATOM 1189 C LYS A 93 -9.709 8.113 5.411 1.00 0.53 C ATOM 1190 O LYS A 93 -10.616 7.438 4.945 1.00 0.55 O ATOM 1191 CB LYS A 93 -9.863 8.685 7.844 1.00 0.69 C ATOM 1192 CG LYS A 93 -11.347 8.399 7.977 1.00 1.51 C ATOM 1193 CD LYS A 93 -11.992 9.281 9.031 1.00 2.25 C ATOM 1194 CE LYS A 93 -13.459 8.932 9.222 1.00 2.80 C ATOM 1195 NZ LYS A 93 -13.643 7.532 9.688 1.00 3.25 N ATOM 0 H LYS A 93 -7.460 8.851 7.393 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.356 6.768 7.032 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.384 8.533 8.811 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -9.726 9.734 7.582 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -11.837 8.560 7.017 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -11.495 7.351 8.238 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -11.463 9.167 9.977 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -11.900 10.327 8.739 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -13.903 9.616 9.945 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -13.991 9.074 8.281 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -14.601 7.419 10.077 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -13.515 6.880 8.888 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -12.942 7.317 10.425 1.00 3.25 H new ATOM 1209 N LYS A 94 -9.127 9.105 4.744 1.00 0.54 N ATOM 1210 CA LYS A 94 -9.569 9.493 3.410 1.00 0.59 C ATOM 1211 C LYS A 94 -9.357 8.341 2.439 1.00 0.52 C ATOM 1212 O LYS A 94 -10.221 8.032 1.621 1.00 0.57 O ATOM 1213 CB LYS A 94 -8.809 10.727 2.921 1.00 0.67 C ATOM 1214 CG LYS A 94 -8.951 11.938 3.828 1.00 1.19 C ATOM 1215 CD LYS A 94 -8.048 13.074 3.377 1.00 1.48 C ATOM 1216 CE LYS A 94 -7.987 14.183 4.415 1.00 1.97 C ATOM 1217 NZ LYS A 94 -9.294 14.870 4.585 1.00 2.44 N ATOM 0 H LYS A 94 -8.348 9.655 5.106 1.00 0.54 H new ATOM 0 HA LYS A 94 -10.630 9.738 3.458 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -7.752 10.477 2.828 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -9.164 10.989 1.924 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -9.988 12.274 3.830 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -8.704 11.659 4.852 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -7.044 12.691 3.193 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -8.413 13.478 2.433 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -7.672 13.765 5.371 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -7.232 14.912 4.121 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -9.221 15.571 5.349 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -9.552 15.349 3.699 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -10.025 14.171 4.826 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.209 7.692 2.556 1.00 0.47 N ATOM 1232 CA LEU A 95 -7.892 6.553 1.711 1.00 0.45 C ATOM 1233 C LEU A 95 -8.727 5.338 2.106 1.00 0.39 C ATOM 1234 O LEU A 95 -9.150 4.565 1.244 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.397 6.224 1.765 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.469 7.160 0.972 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -5.903 7.246 -0.479 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -5.412 8.547 1.589 1.00 1.12 C ATOM 0 H LEU A 95 -7.482 7.935 3.228 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.139 6.820 0.683 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.082 6.231 2.808 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.256 5.208 1.396 1.00 0.46 H new ATOM 0 HG LEU A 95 -4.466 6.735 1.013 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -5.232 7.913 -1.020 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -5.868 6.254 -0.929 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -6.921 7.633 -0.532 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -4.747 9.180 1.001 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.411 8.982 1.599 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -5.037 8.476 2.610 1.00 1.12 H new ATOM 1250 N GLN A 96 -8.978 5.178 3.408 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.895 4.141 3.883 1.00 0.40 C ATOM 1252 C GLN A 96 -11.310 4.418 3.374 1.00 0.45 C ATOM 1253 O GLN A 96 -12.130 3.508 3.257 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.913 4.059 5.418 1.00 0.53 C ATOM 1255 CG GLN A 96 -8.739 3.304 6.035 1.00 0.60 C ATOM 1256 CD GLN A 96 -8.782 3.295 7.551 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -8.337 2.340 8.188 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -9.312 4.354 8.144 1.00 2.20 N ATOM 0 H GLN A 96 -8.563 5.748 4.145 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.541 3.187 3.494 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -9.927 5.072 5.821 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.840 3.578 5.731 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -8.740 2.277 5.669 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -7.805 3.759 5.705 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -9.671 5.127 7.583 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -9.361 4.397 9.162 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.600 5.687 3.104 1.00 0.52 N ATOM 1268 CA LYS A 97 -12.883 6.070 2.521 1.00 0.64 C ATOM 1269 C LYS A 97 -12.958 5.704 1.039 1.00 0.65 C ATOM 1270 O LYS A 97 -13.996 5.241 0.565 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.142 7.567 2.703 1.00 0.78 C ATOM 1272 CG LYS A 97 -13.414 7.968 4.144 1.00 1.44 C ATOM 1273 CD LYS A 97 -13.557 9.474 4.295 1.00 1.95 C ATOM 1274 CE LYS A 97 -14.744 10.009 3.512 1.00 2.39 C ATOM 1275 NZ LYS A 97 -14.911 11.473 3.687 1.00 2.87 N ATOM 0 H LYS A 97 -10.966 6.467 3.279 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.656 5.512 3.050 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -12.279 8.123 2.337 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -13.993 7.857 2.087 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -14.325 7.480 4.491 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -12.601 7.615 4.779 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -13.674 9.724 5.349 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -12.645 9.962 3.951 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -14.612 9.783 2.454 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -15.651 9.499 3.836 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -15.732 11.797 3.136 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -15.063 11.687 4.693 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -14.056 11.962 3.354 1.00 2.87 H new ATOM 1289 N TYR A 98 -11.866 5.907 0.305 1.00 0.63 N ATOM 1290 CA TYR A 98 -11.848 5.587 -1.122 1.00 0.68 C ATOM 1291 C TYR A 98 -11.837 4.078 -1.345 1.00 0.64 C ATOM 1292 O TYR A 98 -12.666 3.542 -2.082 1.00 0.73 O ATOM 1293 CB TYR A 98 -10.629 6.205 -1.816 1.00 0.71 C ATOM 1294 CG TYR A 98 -10.615 7.718 -1.845 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -11.660 8.438 -2.413 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -9.544 8.425 -1.321 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -11.633 9.820 -2.455 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -9.510 9.804 -1.355 1.00 2.50 C ATOM 1299 CZ TYR A 98 -10.555 10.497 -1.922 1.00 2.73 C ATOM 1300 OH TYR A 98 -10.515 11.875 -1.966 1.00 3.64 O ATOM 0 H TYR A 98 -10.992 6.287 0.668 1.00 0.63 H new ATOM 0 HA TYR A 98 -12.755 6.009 -1.555 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -9.727 5.857 -1.313 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.586 5.835 -2.841 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -12.506 7.910 -2.828 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -8.720 7.886 -0.877 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -12.450 10.366 -2.902 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -8.668 10.337 -0.939 1.00 2.50 H new ATOM 0 HH TYR A 98 -9.688 12.192 -1.546 1.00 3.64 H new ATOM 1310 N ALA A 99 -10.912 3.395 -0.689 1.00 0.56 N ATOM 1311 CA ALA A 99 -10.771 1.954 -0.841 1.00 0.56 C ATOM 1312 C ALA A 99 -11.533 1.230 0.249 1.00 0.52 C ATOM 1313 O ALA A 99 -11.413 1.584 1.423 1.00 0.60 O ATOM 1314 CB ALA A 99 -9.302 1.559 -0.788 1.00 0.59 C ATOM 0 H ALA A 99 -10.245 3.817 -0.043 1.00 0.56 H new ATOM 0 HA ALA A 99 -11.183 1.670 -1.809 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -9.211 0.479 -0.903 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -8.762 2.056 -1.594 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -8.879 1.859 0.171 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.316 0.223 -0.109 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.014 -0.521 0.921 1.00 0.53 C ATOM 1322 C ASP A 100 -12.144 -1.682 1.372 1.00 0.47 C ATOM 1323 O ASP A 100 -12.132 -2.760 0.776 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.363 -1.019 0.390 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.192 -1.722 1.443 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.387 -1.149 2.535 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.685 -2.836 1.169 1.00 1.73 O ATOM 0 H ASP A 100 -12.479 -0.087 -1.067 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.210 0.127 1.776 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -14.927 -0.173 -0.003 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.190 -1.701 -0.443 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.430 -1.414 2.448 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.546 -2.357 3.113 1.00 0.39 C ATOM 1334 C ALA A 101 -9.964 -1.666 4.319 1.00 0.37 C ATOM 1335 O ALA A 101 -10.288 -0.504 4.584 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.439 -2.825 2.177 1.00 0.43 C ATOM 0 H ALA A 101 -11.449 -0.500 2.901 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.105 -3.243 3.414 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.793 -3.529 2.701 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -9.880 -3.314 1.308 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -8.851 -1.967 1.851 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.096 -2.339 5.040 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.359 -1.667 6.079 1.00 0.31 C ATOM 1344 C GLU A 102 -7.093 -1.060 5.490 1.00 0.29 C ATOM 1345 O GLU A 102 -6.050 -1.716 5.393 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.013 -2.596 7.230 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.193 -3.387 7.779 1.00 0.76 C ATOM 1348 CD GLU A 102 -8.938 -3.912 9.179 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -9.105 -3.134 10.147 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -8.580 -5.099 9.325 1.00 1.77 O ATOM 0 H GLU A 102 -8.887 -3.331 4.928 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.994 -0.879 6.485 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.246 -3.295 6.898 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.579 -2.007 8.038 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.079 -2.752 7.788 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.407 -4.224 7.114 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.207 0.187 5.066 1.00 0.27 N ATOM 1358 CA VAL A 103 -6.101 0.903 4.456 1.00 0.32 C ATOM 1359 C VAL A 103 -5.172 1.489 5.511 1.00 0.32 C ATOM 1360 O VAL A 103 -5.618 2.075 6.498 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.608 2.034 3.530 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -5.533 3.079 3.289 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -7.071 1.475 2.201 1.00 1.05 C ATOM 0 H VAL A 103 -8.067 0.730 5.135 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.545 0.180 3.859 1.00 0.32 H new ATOM 0 HB VAL A 103 -7.449 2.509 4.035 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -5.923 3.858 2.635 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -5.234 3.520 4.240 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -4.669 2.610 2.819 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -7.423 2.289 1.567 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -6.241 0.966 1.711 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -7.883 0.767 2.367 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.881 1.306 5.300 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.871 1.945 6.122 1.00 0.37 C ATOM 1375 C ARG A 104 -1.891 2.681 5.229 1.00 0.33 C ATOM 1376 O ARG A 104 -1.066 2.064 4.557 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.128 0.924 6.979 1.00 0.46 C ATOM 1378 CG ARG A 104 -3.018 0.183 7.957 1.00 1.23 C ATOM 1379 CD ARG A 104 -2.207 -0.746 8.837 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.380 -1.653 8.050 1.00 1.50 N ATOM 1381 CZ ARG A 104 -0.206 -2.120 8.462 1.00 1.82 C ATOM 1382 NH1 ARG A 104 0.251 -1.812 9.666 1.00 1.78 N ATOM 1383 NH2 ARG A 104 0.515 -2.897 7.673 1.00 2.71 N ATOM 0 H ARG A 104 -3.506 0.714 4.559 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.364 2.649 6.792 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.641 0.200 6.325 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.340 1.434 7.533 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -3.556 0.899 8.578 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -3.766 -0.390 7.410 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -1.572 -0.157 9.499 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -2.879 -1.325 9.471 1.00 1.26 H new ATOM 0 HE ARG A 104 -1.721 -1.945 7.134 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -0.299 -1.214 10.282 1.00 1.78 H new ATOM 0 HH12 ARG A 104 1.153 -2.173 9.977 1.00 1.78 H new ATOM 0 HH21 ARG A 104 0.171 -3.140 6.744 1.00 2.71 H new ATOM 0 HH22 ARG A 104 1.416 -3.253 7.993 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.003 3.992 5.199 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.123 4.804 4.382 1.00 0.31 C ATOM 1399 C VAL A 105 0.134 5.173 5.167 1.00 0.31 C ATOM 1400 O VAL A 105 0.087 5.916 6.148 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.843 6.068 3.858 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -2.982 5.683 2.924 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.372 6.917 4.998 1.00 0.71 C ATOM 0 H VAL A 105 -2.695 4.520 5.731 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.829 4.217 3.512 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.112 6.659 3.306 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.478 6.584 2.564 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -2.585 5.125 2.076 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.700 5.064 3.462 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.872 7.797 4.594 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -3.081 6.335 5.587 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.544 7.230 5.633 1.00 0.71 H new ATOM 1413 N ARG A 106 1.256 4.614 4.755 1.00 0.31 N ATOM 1414 CA ARG A 106 2.506 4.822 5.461 1.00 0.35 C ATOM 1415 C ARG A 106 3.387 5.793 4.701 1.00 0.29 C ATOM 1416 O ARG A 106 3.765 5.545 3.553 1.00 0.31 O ATOM 1417 CB ARG A 106 3.243 3.497 5.677 1.00 0.46 C ATOM 1418 CG ARG A 106 2.474 2.469 6.505 1.00 0.79 C ATOM 1419 CD ARG A 106 2.272 2.902 7.956 1.00 0.87 C ATOM 1420 NE ARG A 106 1.278 3.965 8.088 1.00 1.30 N ATOM 1421 CZ ARG A 106 0.096 3.826 8.682 1.00 1.70 C ATOM 1422 NH1 ARG A 106 -0.212 2.704 9.328 1.00 1.88 N ATOM 1423 NH2 ARG A 106 -0.766 4.832 8.650 1.00 2.63 N ATOM 0 H ARG A 106 1.328 4.012 3.935 1.00 0.31 H new ATOM 0 HA ARG A 106 2.274 5.246 6.438 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.473 3.062 4.705 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.194 3.701 6.168 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.501 2.294 6.045 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.011 1.520 6.486 1.00 0.79 H new ATOM 0 HD2 ARG A 106 1.961 2.042 8.549 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.222 3.244 8.366 1.00 0.87 H new ATOM 0 HE ARG A 106 1.507 4.879 7.697 1.00 1.30 H new ATOM 0 HH11 ARG A 106 0.461 1.939 9.371 1.00 1.88 H new ATOM 0 HH12 ARG A 106 -1.122 2.609 9.780 1.00 1.88 H new ATOM 0 HH21 ARG A 106 -0.520 5.700 8.174 1.00 2.63 H new ATOM 0 HH22 ARG A 106 -1.676 4.739 9.102 1.00 2.63 H new ATOM 1437 N THR A 107 3.702 6.903 5.346 1.00 0.34 N ATOM 1438 CA THR A 107 4.544 7.912 4.740 1.00 0.36 C ATOM 1439 C THR A 107 6.008 7.467 4.786 1.00 0.40 C ATOM 1440 O THR A 107 6.687 7.570 5.809 1.00 0.56 O ATOM 1441 CB THR A 107 4.344 9.294 5.420 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.218 10.273 4.847 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.564 9.224 6.926 1.00 0.64 C ATOM 0 H THR A 107 3.386 7.126 6.290 1.00 0.34 H new ATOM 0 HA THR A 107 4.254 8.028 3.696 1.00 0.36 H new ATOM 0 HB THR A 107 3.310 9.589 5.244 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.687 11.007 4.474 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.414 10.212 7.362 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.855 8.522 7.365 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.581 8.888 7.130 1.00 0.64 H new ATOM 1451 N VAL A 108 6.484 6.942 3.668 1.00 0.44 N ATOM 1452 CA VAL A 108 7.839 6.427 3.588 1.00 0.60 C ATOM 1453 C VAL A 108 8.784 7.489 3.050 1.00 0.68 C ATOM 1454 O VAL A 108 8.396 8.326 2.236 1.00 0.86 O ATOM 1455 CB VAL A 108 7.923 5.162 2.706 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.143 4.021 3.340 1.00 1.34 C ATOM 1457 CG2 VAL A 108 7.415 5.439 1.296 1.00 0.97 C ATOM 0 H VAL A 108 5.950 6.862 2.803 1.00 0.44 H new ATOM 0 HA VAL A 108 8.138 6.154 4.600 1.00 0.60 H new ATOM 0 HB VAL A 108 8.971 4.871 2.633 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.212 3.137 2.706 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.560 3.797 4.322 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.097 4.310 3.447 1.00 1.34 H new ATOM 0 HG21 VAL A 108 7.486 4.530 0.698 1.00 0.97 H new ATOM 0 HG22 VAL A 108 6.375 5.763 1.341 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.020 6.222 0.839 1.00 0.97 H new ATOM 1467 N THR A 109 10.011 7.473 3.538 1.00 0.68 N ATOM 1468 CA THR A 109 11.006 8.443 3.116 1.00 0.78 C ATOM 1469 C THR A 109 12.293 7.762 2.659 1.00 0.71 C ATOM 1470 O THR A 109 13.180 8.407 2.106 1.00 0.88 O ATOM 1471 CB THR A 109 11.323 9.422 4.261 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.339 8.714 5.509 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.303 10.548 4.325 1.00 1.11 C ATOM 0 H THR A 109 10.343 6.799 4.227 1.00 0.68 H new ATOM 0 HA THR A 109 10.588 8.992 2.272 1.00 0.78 H new ATOM 0 HB THR A 109 12.302 9.862 4.071 1.00 0.96 H new ATOM 0 HG1 THR A 109 11.543 9.338 6.237 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.556 11.222 5.144 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.311 11.100 3.385 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.310 10.130 4.492 1.00 1.11 H new ATOM 1481 N SER A 110 12.399 6.459 2.896 1.00 0.59 N ATOM 1482 CA SER A 110 13.610 5.723 2.553 1.00 0.54 C ATOM 1483 C SER A 110 13.305 4.237 2.340 1.00 0.49 C ATOM 1484 O SER A 110 12.308 3.738 2.869 1.00 0.51 O ATOM 1485 CB SER A 110 14.657 5.888 3.663 1.00 0.62 C ATOM 1486 OG SER A 110 14.848 7.256 3.996 1.00 0.93 O ATOM 0 H SER A 110 11.665 5.893 3.322 1.00 0.59 H new ATOM 0 HA SER A 110 14.005 6.130 1.622 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.340 5.337 4.549 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.604 5.455 3.340 1.00 0.62 H new ATOM 0 HG SER A 110 15.519 7.329 4.706 1.00 0.93 H new ATOM 1492 N PRO A 111 14.130 3.524 1.549 1.00 0.49 N ATOM 1493 CA PRO A 111 13.960 2.084 1.297 1.00 0.49 C ATOM 1494 C PRO A 111 13.681 1.275 2.566 1.00 0.45 C ATOM 1495 O PRO A 111 12.705 0.523 2.630 1.00 0.50 O ATOM 1496 CB PRO A 111 15.302 1.678 0.692 1.00 0.58 C ATOM 1497 CG PRO A 111 15.787 2.906 0.001 1.00 0.60 C ATOM 1498 CD PRO A 111 15.284 4.074 0.808 1.00 0.54 C ATOM 0 HA PRO A 111 13.100 1.889 0.657 1.00 0.49 H new ATOM 0 HB2 PRO A 111 16.002 1.353 1.462 1.00 0.58 H new ATOM 0 HB3 PRO A 111 15.188 0.849 -0.006 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.875 2.914 -0.058 1.00 0.60 H new ATOM 0 HG3 PRO A 111 15.412 2.950 -1.022 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.050 4.451 1.485 1.00 0.54 H new ATOM 0 HD3 PRO A 111 14.988 4.904 0.167 1.00 0.54 H new ATOM 1506 N ASP A 112 14.525 1.454 3.581 1.00 0.47 N ATOM 1507 CA ASP A 112 14.393 0.710 4.838 1.00 0.49 C ATOM 1508 C ASP A 112 13.050 0.971 5.508 1.00 0.43 C ATOM 1509 O ASP A 112 12.517 0.106 6.204 1.00 0.45 O ATOM 1510 CB ASP A 112 15.522 1.060 5.809 1.00 0.60 C ATOM 1511 CG ASP A 112 16.819 0.352 5.480 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.684 0.954 4.813 1.00 1.71 O ATOM 1513 OD2 ASP A 112 16.984 -0.815 5.891 1.00 2.04 O ATOM 0 H ASP A 112 15.308 2.107 3.560 1.00 0.47 H new ATOM 0 HA ASP A 112 14.455 -0.348 4.584 1.00 0.49 H new ATOM 0 HB2 ASP A 112 15.687 2.137 5.794 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.218 0.799 6.822 1.00 0.60 H new ATOM 1518 N GLU A 113 12.505 2.162 5.298 1.00 0.43 N ATOM 1519 CA GLU A 113 11.213 2.518 5.870 1.00 0.45 C ATOM 1520 C GLU A 113 10.109 1.721 5.195 1.00 0.37 C ATOM 1521 O GLU A 113 9.197 1.226 5.851 1.00 0.40 O ATOM 1522 CB GLU A 113 10.950 4.017 5.715 1.00 0.57 C ATOM 1523 CG GLU A 113 12.006 4.888 6.374 1.00 0.78 C ATOM 1524 CD GLU A 113 12.211 4.547 7.834 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.482 5.095 8.688 1.00 2.21 O ATOM 1526 OE2 GLU A 113 13.103 3.729 8.135 1.00 2.13 O ATOM 0 H GLU A 113 12.936 2.897 4.737 1.00 0.43 H new ATOM 0 HA GLU A 113 11.226 2.279 6.933 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.899 4.261 4.654 1.00 0.57 H new ATOM 0 HB3 GLU A 113 9.976 4.253 6.144 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.950 4.774 5.842 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.715 5.935 6.286 1.00 0.78 H new ATOM 1533 N ALA A 114 10.220 1.584 3.881 1.00 0.37 N ATOM 1534 CA ALA A 114 9.260 0.812 3.108 1.00 0.39 C ATOM 1535 C ALA A 114 9.240 -0.636 3.576 1.00 0.36 C ATOM 1536 O ALA A 114 8.179 -1.218 3.806 1.00 0.38 O ATOM 1537 CB ALA A 114 9.605 0.887 1.627 1.00 0.48 C ATOM 0 H ALA A 114 10.969 2.000 3.327 1.00 0.37 H new ATOM 0 HA ALA A 114 8.267 1.234 3.260 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.881 0.306 1.055 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.577 1.926 1.299 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.604 0.482 1.465 1.00 0.48 H new ATOM 1543 N LYS A 115 10.429 -1.200 3.745 1.00 0.38 N ATOM 1544 CA LYS A 115 10.576 -2.587 4.164 1.00 0.45 C ATOM 1545 C LYS A 115 10.039 -2.789 5.579 1.00 0.39 C ATOM 1546 O LYS A 115 9.540 -3.860 5.918 1.00 0.44 O ATOM 1547 CB LYS A 115 12.049 -2.996 4.107 1.00 0.57 C ATOM 1548 CG LYS A 115 12.723 -2.658 2.787 1.00 0.75 C ATOM 1549 CD LYS A 115 14.192 -3.046 2.791 1.00 0.77 C ATOM 1550 CE LYS A 115 14.381 -4.549 2.684 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.815 -4.918 2.589 1.00 1.53 N ATOM 0 H LYS A 115 11.313 -0.713 3.597 1.00 0.38 H new ATOM 0 HA LYS A 115 9.999 -3.212 3.483 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.586 -2.502 4.917 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.127 -4.069 4.281 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.212 -3.175 1.975 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.629 -1.589 2.594 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.699 -2.556 1.960 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.660 -2.686 3.707 1.00 0.77 H new ATOM 0 HE2 LYS A 115 13.938 -5.034 3.554 1.00 1.22 H new ATOM 0 HE3 LYS A 115 13.851 -4.921 1.807 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.902 -5.873 2.186 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 16.309 -4.238 1.977 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.241 -4.902 3.538 1.00 1.53 H new ATOM 1565 N ARG A 116 10.139 -1.741 6.391 1.00 0.36 N ATOM 1566 CA ARG A 116 9.684 -1.776 7.777 1.00 0.39 C ATOM 1567 C ARG A 116 8.189 -2.067 7.850 1.00 0.35 C ATOM 1568 O ARG A 116 7.753 -2.952 8.585 1.00 0.42 O ATOM 1569 CB ARG A 116 9.985 -0.430 8.450 1.00 0.50 C ATOM 1570 CG ARG A 116 9.549 -0.329 9.908 1.00 1.14 C ATOM 1571 CD ARG A 116 10.485 -1.080 10.844 1.00 1.65 C ATOM 1572 NE ARG A 116 10.309 -2.529 10.775 1.00 2.40 N ATOM 1573 CZ ARG A 116 11.292 -3.409 10.966 1.00 3.29 C ATOM 1574 NH1 ARG A 116 12.537 -2.997 11.178 1.00 3.61 N ATOM 1575 NH2 ARG A 116 11.026 -4.704 10.945 1.00 4.21 N ATOM 0 H ARG A 116 10.537 -0.845 6.108 1.00 0.36 H new ATOM 0 HA ARG A 116 10.215 -2.573 8.297 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.057 -0.244 8.393 1.00 0.50 H new ATOM 0 HB3 ARG A 116 9.493 0.361 7.883 1.00 0.50 H new ATOM 0 HG2 ARG A 116 9.510 0.720 10.201 1.00 1.14 H new ATOM 0 HG3 ARG A 116 8.539 -0.727 10.011 1.00 1.14 H new ATOM 0 HD2 ARG A 116 11.517 -0.831 10.596 1.00 1.65 H new ATOM 0 HD3 ARG A 116 10.314 -0.746 11.867 1.00 1.65 H new ATOM 0 HE ARG A 116 9.377 -2.889 10.568 1.00 2.40 H new ATOM 0 HH11 ARG A 116 12.748 -1.999 11.196 1.00 3.61 H new ATOM 0 HH12 ARG A 116 13.282 -3.678 11.323 1.00 3.61 H new ATOM 0 HH21 ARG A 116 10.072 -5.026 10.783 1.00 4.21 H new ATOM 0 HH22 ARG A 116 11.775 -5.381 11.091 1.00 4.21 H new ATOM 1589 N TRP A 117 7.416 -1.331 7.066 1.00 0.31 N ATOM 1590 CA TRP A 117 5.964 -1.430 7.114 1.00 0.32 C ATOM 1591 C TRP A 117 5.461 -2.671 6.388 1.00 0.30 C ATOM 1592 O TRP A 117 4.515 -3.317 6.835 1.00 0.36 O ATOM 1593 CB TRP A 117 5.332 -0.173 6.518 1.00 0.36 C ATOM 1594 CG TRP A 117 5.757 1.083 7.217 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.459 2.122 6.681 1.00 0.47 C ATOM 1596 CD2 TRP A 117 5.520 1.424 8.588 1.00 0.56 C ATOM 1597 NE1 TRP A 117 6.667 3.092 7.632 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.098 2.686 8.811 1.00 0.60 C ATOM 1599 CE3 TRP A 117 4.867 0.784 9.647 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.045 3.322 10.050 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 4.817 1.415 10.875 1.00 0.98 C ATOM 1602 CH2 TRP A 117 5.402 2.671 11.067 1.00 0.99 C ATOM 0 H TRP A 117 7.770 -0.657 6.387 1.00 0.31 H new ATOM 0 HA TRP A 117 5.670 -1.518 8.160 1.00 0.32 H new ATOM 0 HB2 TRP A 117 5.599 -0.104 5.463 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.247 -0.260 6.567 1.00 0.36 H new ATOM 0 HD1 TRP A 117 6.802 2.175 5.658 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.164 3.971 7.485 1.00 0.53 H new ATOM 0 HE3 TRP A 117 4.411 -0.185 9.507 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 6.495 4.292 10.202 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.318 0.930 11.701 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.345 3.137 12.040 1.00 0.99 H new ATOM 1613 N ILE A 118 6.094 -3.011 5.273 1.00 0.29 N ATOM 1614 CA ILE A 118 5.686 -4.180 4.502 1.00 0.32 C ATOM 1615 C ILE A 118 5.937 -5.464 5.295 1.00 0.36 C ATOM 1616 O ILE A 118 5.214 -6.455 5.148 1.00 0.40 O ATOM 1617 CB ILE A 118 6.419 -4.248 3.141 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.104 -2.999 2.311 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.024 -5.505 2.374 1.00 0.51 C ATOM 1620 CD1 ILE A 118 6.830 -2.945 0.984 1.00 0.57 C ATOM 0 H ILE A 118 6.886 -2.499 4.884 1.00 0.29 H new ATOM 0 HA ILE A 118 4.618 -4.085 4.307 1.00 0.32 H new ATOM 0 HB ILE A 118 7.492 -4.287 3.330 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.030 -2.957 2.128 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.363 -2.114 2.892 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.552 -5.531 1.421 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.288 -6.386 2.959 1.00 0.51 H new ATOM 0 HG23 ILE A 118 4.949 -5.498 2.193 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.555 -2.032 0.456 1.00 0.57 H new ATOM 0 HD12 ILE A 118 7.906 -2.954 1.157 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.553 -3.810 0.382 1.00 0.57 H new ATOM 1632 N LYS A 119 6.945 -5.432 6.157 1.00 0.41 N ATOM 1633 CA LYS A 119 7.290 -6.590 6.969 1.00 0.53 C ATOM 1634 C LYS A 119 6.197 -6.889 7.993 1.00 0.55 C ATOM 1635 O LYS A 119 5.697 -8.010 8.057 1.00 0.67 O ATOM 1636 CB LYS A 119 8.630 -6.373 7.673 1.00 0.63 C ATOM 1637 CG LYS A 119 9.087 -7.572 8.486 1.00 1.09 C ATOM 1638 CD LYS A 119 10.498 -7.385 9.010 1.00 1.34 C ATOM 1639 CE LYS A 119 10.937 -8.566 9.860 1.00 2.05 C ATOM 1640 NZ LYS A 119 10.893 -9.848 9.110 1.00 2.66 N ATOM 0 H LYS A 119 7.538 -4.616 6.311 1.00 0.41 H new ATOM 0 HA LYS A 119 7.378 -7.450 6.305 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.390 -6.138 6.927 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.550 -5.507 8.330 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.405 -7.727 9.322 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.043 -8.469 7.869 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.185 -7.263 8.173 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.550 -6.471 9.601 1.00 1.34 H new ATOM 0 HE2 LYS A 119 11.951 -8.394 10.221 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.294 -8.638 10.737 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.685 -10.452 9.409 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 9.994 -10.333 9.305 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 10.969 -9.657 8.091 1.00 2.66 H new ATOM 1654 N GLU A 120 5.811 -5.885 8.774 1.00 0.51 N ATOM 1655 CA GLU A 120 4.787 -6.072 9.799 1.00 0.63 C ATOM 1656 C GLU A 120 3.411 -6.276 9.168 1.00 0.60 C ATOM 1657 O GLU A 120 2.496 -6.800 9.802 1.00 0.79 O ATOM 1658 CB GLU A 120 4.782 -4.891 10.787 1.00 0.71 C ATOM 1659 CG GLU A 120 4.697 -3.514 10.139 1.00 1.43 C ATOM 1660 CD GLU A 120 3.291 -2.952 10.127 1.00 1.83 C ATOM 1661 OE1 GLU A 120 2.469 -3.414 9.317 1.00 2.48 O ATOM 1662 OE2 GLU A 120 2.997 -2.037 10.928 1.00 2.33 O ATOM 0 H GLU A 120 6.188 -4.939 8.719 1.00 0.51 H new ATOM 0 HA GLU A 120 5.028 -6.975 10.360 1.00 0.63 H new ATOM 0 HB2 GLU A 120 3.939 -5.009 11.468 1.00 0.71 H new ATOM 0 HB3 GLU A 120 5.688 -4.937 11.391 1.00 0.71 H new ATOM 0 HG2 GLU A 120 5.353 -2.826 10.673 1.00 1.43 H new ATOM 0 HG3 GLU A 120 5.066 -3.577 9.115 1.00 1.43 H new ATOM 1669 N PHE A 121 3.278 -5.870 7.913 1.00 0.44 N ATOM 1670 CA PHE A 121 2.040 -6.049 7.165 1.00 0.43 C ATOM 1671 C PHE A 121 1.833 -7.519 6.814 1.00 0.46 C ATOM 1672 O PHE A 121 0.707 -8.019 6.810 1.00 0.54 O ATOM 1673 CB PHE A 121 2.088 -5.201 5.892 1.00 0.38 C ATOM 1674 CG PHE A 121 0.866 -5.296 5.019 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.985 -5.639 3.682 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.395 -5.029 5.527 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.129 -5.715 2.870 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.511 -5.106 4.720 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.379 -5.447 3.390 1.00 0.67 C ATOM 0 H PHE A 121 4.020 -5.410 7.386 1.00 0.44 H new ATOM 0 HA PHE A 121 1.202 -5.726 7.782 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.235 -4.158 6.173 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.958 -5.499 5.307 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.961 -5.849 3.270 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.505 -4.758 6.566 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -0.022 -5.984 1.829 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.489 -4.899 5.130 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.252 -5.504 2.757 1.00 0.67 H new ATOM 1689 N SER A 122 2.929 -8.206 6.535 1.00 0.44 N ATOM 1690 CA SER A 122 2.874 -9.607 6.153 1.00 0.50 C ATOM 1691 C SER A 122 3.119 -10.513 7.357 1.00 0.58 C ATOM 1692 O SER A 122 2.946 -11.730 7.279 1.00 0.80 O ATOM 1693 CB SER A 122 3.903 -9.876 5.055 1.00 0.57 C ATOM 1694 OG SER A 122 5.137 -9.234 5.344 1.00 1.31 O ATOM 0 H SER A 122 3.870 -7.814 6.566 1.00 0.44 H new ATOM 0 HA SER A 122 1.877 -9.830 5.772 1.00 0.50 H new ATOM 0 HB2 SER A 122 4.062 -10.950 4.956 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.520 -9.521 4.098 1.00 0.57 H new ATOM 0 HG SER A 122 5.067 -8.280 5.132 1.00 1.31 H new ATOM 1700 N GLU A 123 3.517 -9.912 8.468 1.00 0.63 N ATOM 1701 CA GLU A 123 3.786 -10.655 9.687 1.00 0.81 C ATOM 1702 C GLU A 123 2.976 -10.100 10.848 1.00 0.92 C ATOM 1703 O GLU A 123 3.488 -9.340 11.670 1.00 1.44 O ATOM 1704 CB GLU A 123 5.274 -10.612 10.029 1.00 1.25 C ATOM 1705 CG GLU A 123 6.157 -11.341 9.031 1.00 1.57 C ATOM 1706 CD GLU A 123 7.624 -11.257 9.389 1.00 1.91 C ATOM 1707 OE1 GLU A 123 8.407 -10.709 8.587 1.00 2.53 O ATOM 1708 OE2 GLU A 123 8.003 -11.738 10.480 1.00 2.37 O ATOM 0 H GLU A 123 3.661 -8.906 8.549 1.00 0.63 H new ATOM 0 HA GLU A 123 3.492 -11.691 9.517 1.00 0.81 H new ATOM 0 HB2 GLU A 123 5.593 -9.571 10.089 1.00 1.25 H new ATOM 0 HB3 GLU A 123 5.422 -11.048 11.017 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.857 -12.388 8.982 1.00 1.57 H new ATOM 0 HG3 GLU A 123 6.004 -10.919 8.038 1.00 1.57 H new ATOM 1715 N GLU A 124 1.707 -10.464 10.904 1.00 1.15 N ATOM 1716 CA GLU A 124 0.861 -10.082 12.021 1.00 1.53 C ATOM 1717 C GLU A 124 0.695 -11.259 12.970 1.00 2.14 C ATOM 1718 O GLU A 124 -0.281 -12.022 12.813 1.00 2.76 O ATOM 1719 CB GLU A 124 -0.508 -9.591 11.542 1.00 1.74 C ATOM 1720 CG GLU A 124 -0.463 -8.278 10.777 1.00 1.61 C ATOM 1721 CD GLU A 124 -1.837 -7.662 10.610 1.00 1.88 C ATOM 1722 OE1 GLU A 124 -2.427 -7.782 9.520 1.00 2.49 O ATOM 1723 OE2 GLU A 124 -2.344 -7.055 11.581 1.00 2.34 O ATOM 1724 OXT GLU A 124 1.557 -11.431 13.857 1.00 2.57 O ATOM 0 H GLU A 124 1.240 -11.023 10.190 1.00 1.15 H new ATOM 0 HA GLU A 124 1.344 -9.259 12.547 1.00 1.53 H new ATOM 0 HB2 GLU A 124 -0.954 -10.355 10.905 1.00 1.74 H new ATOM 0 HB3 GLU A 124 -1.163 -9.474 12.406 1.00 1.74 H new ATOM 0 HG2 GLU A 124 0.186 -7.577 11.302 1.00 1.61 H new ATOM 0 HG3 GLU A 124 -0.021 -8.447 9.795 1.00 1.61 H new TER 1731 GLU A 124