USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 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 Set 1.1: A 85 LYS NZ :NH3+ -140:sc= 1.83 (180deg=0.00705) USER MOD Set 1.2: A 91 TYR OH : rot -10:sc= 0.844 USER MOD Set 2.1: A 41 MET CE :methyl -155:sc= -0.184 (180deg=-1.35) USER MOD Set 2.2: A 115 LYS NZ :NH3+ -124:sc= -0.311 (180deg=-1.68!) USER MOD Single : A 21 MET CE :methyl -165:sc= -0.219 (180deg=-0.592) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 29 SER OG : rot 53:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= -0.0158 (180deg=-0.104) USER MOD Single : A 33 LYS NZ :NH3+ -147:sc= -0.847 (180deg=-2.62!) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0183 (180deg=-0.208) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0682) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0739 (180deg=-0.408) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= -0.0103 (180deg=-0.177) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= -1.32 (180deg=-1.61) USER MOD Single : A 70 LYS NZ :NH3+ -176:sc= 0.978 (180deg=0.756) USER MOD Single : A 71 LYS NZ :NH3+ 167:sc= -0.0203 (180deg=-0.19) USER MOD Single : A 72 GLN : amide:sc= 0.318 K(o=0.32,f=-0.33) USER MOD Single : A 73 ASN : amide:sc= -1.78! K(o=-1.8!,f=-0.93) USER MOD Single : A 74 SER OG : rot 180:sc= -0.298 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 1.2 (180deg=1.13) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0529 (180deg=-0.292) USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.0263 (180deg=-0.194) USER MOD Single : A 96 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.05) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= -0.0239 (180deg=-0.186) USER MOD Single : A 98 TYR OH : rot 177:sc= 0.708 USER MOD Single : A 107 THR OG1 : rot 127:sc= 0.921 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -13:sc= 0.936 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 61:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -6.637 -13.266 4.425 1.00 0.86 N ATOM 2 CA MET A 21 -6.903 -11.873 3.990 1.00 0.65 C ATOM 3 C MET A 21 -5.884 -11.449 2.942 1.00 0.55 C ATOM 4 O MET A 21 -4.692 -11.712 3.091 1.00 0.75 O ATOM 5 CB MET A 21 -6.862 -10.909 5.190 1.00 0.73 C ATOM 6 CG MET A 21 -5.531 -10.871 5.933 1.00 1.04 C ATOM 7 SD MET A 21 -5.181 -12.388 6.850 1.00 1.93 S ATOM 8 CE MET A 21 -6.482 -12.356 8.085 1.00 2.17 C ATOM 0 HA MET A 21 -7.901 -11.834 3.552 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.095 -9.904 4.839 1.00 0.73 H new ATOM 0 HB3 MET A 21 -7.646 -11.191 5.892 1.00 0.73 H new ATOM 0 HG2 MET A 21 -4.728 -10.694 5.217 1.00 1.04 H new ATOM 0 HG3 MET A 21 -5.533 -10.029 6.625 1.00 1.04 H new ATOM 0 HE1 MET A 21 -6.248 -13.066 8.878 1.00 2.17 H new ATOM 0 HE2 MET A 21 -6.559 -11.354 8.507 1.00 2.17 H new ATOM 0 HE3 MET A 21 -7.430 -12.628 7.622 1.00 2.17 H new ATOM 17 N THR A 22 -6.350 -10.810 1.872 1.00 0.43 N ATOM 18 CA THR A 22 -5.451 -10.381 0.814 1.00 0.41 C ATOM 19 C THR A 22 -4.741 -9.090 1.211 1.00 0.35 C ATOM 20 O THR A 22 -5.378 -8.151 1.694 1.00 0.38 O ATOM 21 CB THR A 22 -6.213 -10.164 -0.505 1.00 0.52 C ATOM 22 OG1 THR A 22 -7.227 -11.163 -0.643 1.00 0.82 O ATOM 23 CG2 THR A 22 -5.265 -10.243 -1.693 1.00 0.63 C ATOM 0 H THR A 22 -7.332 -10.582 1.719 1.00 0.43 H new ATOM 0 HA THR A 22 -4.713 -11.169 0.665 1.00 0.41 H new ATOM 0 HB THR A 22 -6.668 -9.174 -0.483 1.00 0.52 H new ATOM 0 HG1 THR A 22 -7.713 -11.022 -1.483 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.824 -10.087 -2.616 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.498 -9.474 -1.599 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.793 -11.225 -1.717 1.00 0.63 H new ATOM 31 N LEU A 23 -3.428 -9.054 1.029 1.00 0.32 N ATOM 32 CA LEU A 23 -2.637 -7.896 1.414 1.00 0.29 C ATOM 33 C LEU A 23 -2.088 -7.180 0.182 1.00 0.26 C ATOM 34 O LEU A 23 -1.349 -7.767 -0.615 1.00 0.30 O ATOM 35 CB LEU A 23 -1.489 -8.329 2.328 1.00 0.30 C ATOM 36 CG LEU A 23 -1.906 -9.133 3.565 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.690 -9.513 4.393 1.00 0.39 C ATOM 38 CD2 LEU A 23 -2.893 -8.347 4.410 1.00 0.39 C ATOM 0 H LEU A 23 -2.889 -9.815 0.616 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.281 -7.201 1.953 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.788 -8.927 1.745 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -0.952 -7.439 2.657 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.393 -10.047 3.225 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.008 -10.083 5.266 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.014 -10.120 3.790 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.174 -8.609 4.718 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.175 -8.936 5.282 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.432 -7.415 4.736 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -3.782 -8.125 3.819 1.00 0.39 H new ATOM 50 N PHE A 24 -2.456 -5.915 0.025 1.00 0.25 N ATOM 51 CA PHE A 24 -2.012 -5.121 -1.117 1.00 0.25 C ATOM 52 C PHE A 24 -1.095 -3.999 -0.663 1.00 0.26 C ATOM 53 O PHE A 24 -1.153 -3.567 0.488 1.00 0.30 O ATOM 54 CB PHE A 24 -3.202 -4.511 -1.858 1.00 0.28 C ATOM 55 CG PHE A 24 -4.180 -5.518 -2.378 1.00 0.34 C ATOM 56 CD1 PHE A 24 -4.130 -5.931 -3.698 1.00 1.24 C ATOM 57 CD2 PHE A 24 -5.153 -6.043 -1.550 1.00 1.25 C ATOM 58 CE1 PHE A 24 -5.033 -6.852 -4.181 1.00 1.25 C ATOM 59 CE2 PHE A 24 -6.056 -6.964 -2.025 1.00 1.30 C ATOM 60 CZ PHE A 24 -5.998 -7.371 -3.343 1.00 0.51 C ATOM 0 H PHE A 24 -3.062 -5.414 0.675 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.473 -5.790 -1.788 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -3.723 -3.828 -1.187 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -2.831 -3.917 -2.693 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -3.375 -5.527 -4.356 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -5.205 -5.727 -0.519 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -4.986 -7.167 -5.213 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -6.811 -7.369 -1.367 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.707 -8.095 -3.717 1.00 0.51 H new ATOM 70 N VAL A 25 -0.252 -3.533 -1.569 1.00 0.29 N ATOM 71 CA VAL A 25 0.621 -2.405 -1.288 1.00 0.31 C ATOM 72 C VAL A 25 0.622 -1.428 -2.454 1.00 0.30 C ATOM 73 O VAL A 25 1.112 -1.749 -3.535 1.00 0.35 O ATOM 74 CB VAL A 25 2.083 -2.841 -1.050 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.921 -1.659 -0.584 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.177 -3.987 -0.059 1.00 0.98 C ATOM 0 H VAL A 25 -0.153 -3.919 -2.508 1.00 0.29 H new ATOM 0 HA VAL A 25 0.231 -1.938 -0.383 1.00 0.31 H new ATOM 0 HB VAL A 25 2.478 -3.200 -2.000 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.949 -1.983 -0.421 1.00 1.08 H new ATOM 0 HG12 VAL A 25 2.903 -0.878 -1.344 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.512 -1.268 0.347 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.222 -4.263 0.080 1.00 0.98 H new ATOM 0 HG22 VAL A 25 1.753 -3.678 0.896 1.00 0.98 H new ATOM 0 HG23 VAL A 25 1.623 -4.845 -0.441 1.00 0.98 H new ATOM 86 N LEU A 26 0.060 -0.250 -2.241 1.00 0.34 N ATOM 87 CA LEU A 26 0.239 0.843 -3.181 1.00 0.35 C ATOM 88 C LEU A 26 1.452 1.635 -2.744 1.00 0.34 C ATOM 89 O LEU A 26 1.813 1.611 -1.570 1.00 0.36 O ATOM 90 CB LEU A 26 -0.984 1.771 -3.260 1.00 0.40 C ATOM 91 CG LEU A 26 -2.282 1.149 -3.797 1.00 0.44 C ATOM 92 CD1 LEU A 26 -1.992 0.197 -4.942 1.00 1.18 C ATOM 93 CD2 LEU A 26 -3.051 0.442 -2.700 1.00 1.09 C ATOM 0 H LEU A 26 -0.520 -0.027 -1.432 1.00 0.34 H new ATOM 0 HA LEU A 26 0.371 0.421 -4.177 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.181 2.162 -2.262 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.727 2.622 -3.891 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.904 1.961 -4.173 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -2.927 -0.231 -5.305 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.502 0.739 -5.751 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -1.338 -0.603 -4.594 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.964 0.013 -3.114 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.436 -0.353 -2.278 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.308 1.156 -1.917 1.00 1.09 H new ATOM 105 N ILE A 27 2.095 2.307 -3.673 1.00 0.34 N ATOM 106 CA ILE A 27 3.304 3.043 -3.357 1.00 0.32 C ATOM 107 C ILE A 27 3.474 4.238 -4.281 1.00 0.30 C ATOM 108 O ILE A 27 3.434 4.085 -5.498 1.00 0.36 O ATOM 109 CB ILE A 27 4.541 2.116 -3.455 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.838 2.912 -3.255 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.550 1.377 -4.791 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.088 2.055 -3.267 1.00 0.55 C ATOM 0 H ILE A 27 1.805 2.361 -4.649 1.00 0.34 H new ATOM 0 HA ILE A 27 3.216 3.411 -2.335 1.00 0.32 H new ATOM 0 HB ILE A 27 4.480 1.375 -2.658 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.917 3.664 -4.040 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.783 3.446 -2.306 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.426 0.730 -4.843 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.647 0.773 -4.879 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.584 2.100 -5.606 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.964 2.687 -3.120 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.033 1.319 -2.465 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.168 1.541 -4.225 1.00 0.55 H new ATOM 124 N LEU A 28 3.624 5.437 -3.718 1.00 0.30 N ATOM 125 CA LEU A 28 4.030 6.571 -4.529 1.00 0.36 C ATOM 126 C LEU A 28 5.420 7.004 -4.102 1.00 0.38 C ATOM 127 O LEU A 28 5.586 7.969 -3.355 1.00 0.41 O ATOM 128 CB LEU A 28 3.074 7.756 -4.353 1.00 0.46 C ATOM 129 CG LEU A 28 1.583 7.428 -4.299 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.774 8.711 -4.286 1.00 1.24 C ATOM 131 CD2 LEU A 28 1.176 6.549 -5.465 1.00 1.18 C ATOM 0 H LEU A 28 3.474 5.640 -2.730 1.00 0.30 H new ATOM 0 HA LEU A 28 4.016 6.267 -5.576 1.00 0.36 H new ATOM 0 HB2 LEU A 28 3.342 8.277 -3.434 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.240 8.453 -5.174 1.00 0.46 H new ATOM 0 HG LEU A 28 1.382 6.874 -3.382 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.289 8.471 -4.247 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.044 9.303 -3.411 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.984 9.283 -5.190 1.00 1.24 H new ATOM 0 HD21 LEU A 28 0.110 6.331 -5.402 1.00 1.18 H new ATOM 0 HD22 LEU A 28 1.386 7.066 -6.401 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.740 5.617 -5.432 1.00 1.18 H new ATOM 143 N SER A 29 6.408 6.272 -4.567 1.00 0.44 N ATOM 144 CA SER A 29 7.799 6.626 -4.365 1.00 0.56 C ATOM 145 C SER A 29 8.628 6.095 -5.522 1.00 0.68 C ATOM 146 O SER A 29 8.942 4.902 -5.544 1.00 1.05 O ATOM 147 CB SER A 29 8.307 6.057 -3.034 1.00 0.61 C ATOM 148 OG SER A 29 9.621 6.508 -2.747 1.00 1.27 O ATOM 0 H SER A 29 6.271 5.412 -5.098 1.00 0.44 H new ATOM 0 HA SER A 29 7.892 7.711 -4.327 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.635 6.354 -2.229 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.295 4.968 -3.074 1.00 0.61 H new ATOM 0 HG SER A 29 9.651 7.486 -2.803 1.00 1.27 H new ATOM 154 N ASN A 30 8.986 6.922 -6.494 1.00 0.60 N ATOM 155 CA ASN A 30 9.803 6.392 -7.568 1.00 0.67 C ATOM 156 C ASN A 30 11.254 6.375 -7.138 1.00 0.64 C ATOM 157 O ASN A 30 12.017 7.303 -7.404 1.00 0.68 O ATOM 158 CB ASN A 30 9.657 7.228 -8.843 1.00 0.79 C ATOM 159 CG ASN A 30 8.302 7.078 -9.499 1.00 1.85 C ATOM 160 OD1 ASN A 30 8.098 6.192 -10.330 1.00 2.75 O ATOM 161 ND2 ASN A 30 7.366 7.945 -9.142 1.00 2.45 N ATOM 0 H ASN A 30 8.739 7.909 -6.561 1.00 0.60 H new ATOM 0 HA ASN A 30 9.465 5.379 -7.785 1.00 0.67 H new ATOM 0 HB2 ASN A 30 9.824 8.278 -8.603 1.00 0.79 H new ATOM 0 HB3 ASN A 30 10.432 6.936 -9.552 1.00 0.79 H new ATOM 0 HD21 ASN A 30 6.437 7.893 -9.559 1.00 2.45 H new ATOM 0 HD22 ASN A 30 7.575 8.665 -8.450 1.00 2.45 H new ATOM 168 N ASP A 31 11.617 5.302 -6.467 1.00 0.63 N ATOM 169 CA ASP A 31 12.998 4.970 -6.202 1.00 0.67 C ATOM 170 C ASP A 31 13.279 3.609 -6.814 1.00 0.72 C ATOM 171 O ASP A 31 12.701 2.605 -6.395 1.00 0.81 O ATOM 172 CB ASP A 31 13.274 4.971 -4.704 1.00 0.72 C ATOM 173 CG ASP A 31 14.750 4.865 -4.389 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.323 5.854 -3.878 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.350 3.805 -4.659 1.00 1.57 O ATOM 0 H ASP A 31 10.952 4.629 -6.086 1.00 0.63 H new ATOM 0 HA ASP A 31 13.658 5.715 -6.646 1.00 0.67 H new ATOM 0 HB2 ASP A 31 12.876 5.886 -4.265 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.745 4.139 -4.239 1.00 0.72 H new ATOM 180 N LYS A 32 14.159 3.575 -7.797 1.00 0.78 N ATOM 181 CA LYS A 32 14.370 2.375 -8.597 1.00 0.82 C ATOM 182 C LYS A 32 14.865 1.186 -7.766 1.00 0.79 C ATOM 183 O LYS A 32 14.453 0.053 -8.012 1.00 0.81 O ATOM 184 CB LYS A 32 15.334 2.676 -9.747 1.00 0.99 C ATOM 185 CG LYS A 32 14.792 3.698 -10.738 1.00 1.10 C ATOM 186 CD LYS A 32 13.539 3.188 -11.437 1.00 1.61 C ATOM 187 CE LYS A 32 12.944 4.232 -12.370 1.00 2.22 C ATOM 188 NZ LYS A 32 13.895 4.639 -13.439 1.00 2.93 N ATOM 0 H LYS A 32 14.744 4.367 -8.064 1.00 0.78 H new ATOM 0 HA LYS A 32 13.402 2.082 -9.004 1.00 0.82 H new ATOM 0 HB2 LYS A 32 16.275 3.042 -9.336 1.00 0.99 H new ATOM 0 HB3 LYS A 32 15.557 1.750 -10.277 1.00 0.99 H new ATOM 0 HG2 LYS A 32 14.566 4.628 -10.216 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.556 3.927 -11.481 1.00 1.10 H new ATOM 0 HD2 LYS A 32 13.781 2.289 -12.005 1.00 1.61 H new ATOM 0 HD3 LYS A 32 12.797 2.904 -10.691 1.00 1.61 H new ATOM 0 HE2 LYS A 32 12.037 3.835 -12.825 1.00 2.22 H new ATOM 0 HE3 LYS A 32 12.653 5.109 -11.792 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 13.405 5.246 -14.127 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 14.688 5.164 -13.017 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 14.258 3.792 -13.921 1.00 2.93 H new ATOM 202 N LYS A 33 15.721 1.432 -6.778 1.00 0.84 N ATOM 203 CA LYS A 33 16.248 0.340 -5.961 1.00 0.86 C ATOM 204 C LYS A 33 15.303 0.025 -4.803 1.00 0.74 C ATOM 205 O LYS A 33 15.272 -1.102 -4.305 1.00 0.70 O ATOM 206 CB LYS A 33 17.659 0.649 -5.438 1.00 1.02 C ATOM 207 CG LYS A 33 17.727 1.801 -4.447 1.00 1.56 C ATOM 208 CD LYS A 33 19.136 2.013 -3.898 1.00 2.24 C ATOM 209 CE LYS A 33 20.021 2.825 -4.839 1.00 2.94 C ATOM 210 NZ LYS A 33 20.392 2.080 -6.072 1.00 3.44 N ATOM 0 H LYS A 33 16.061 2.360 -6.526 1.00 0.84 H new ATOM 0 HA LYS A 33 16.320 -0.539 -6.601 1.00 0.86 H new ATOM 0 HB2 LYS A 33 18.061 -0.246 -4.963 1.00 1.02 H new ATOM 0 HB3 LYS A 33 18.305 0.877 -6.286 1.00 1.02 H new ATOM 0 HG2 LYS A 33 17.388 2.716 -4.933 1.00 1.56 H new ATOM 0 HG3 LYS A 33 17.043 1.607 -3.621 1.00 1.56 H new ATOM 0 HD2 LYS A 33 19.073 2.522 -2.936 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.600 1.044 -3.716 1.00 2.24 H new ATOM 0 HE2 LYS A 33 19.502 3.742 -5.117 1.00 2.94 H new ATOM 0 HE3 LYS A 33 20.928 3.120 -4.312 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 21.344 2.366 -6.377 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 20.383 1.059 -5.876 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 19.708 2.294 -6.826 1.00 3.44 H new ATOM 224 N LEU A 34 14.536 1.024 -4.380 1.00 0.72 N ATOM 225 CA LEU A 34 13.515 0.829 -3.356 1.00 0.64 C ATOM 226 C LEU A 34 12.453 -0.134 -3.879 1.00 0.58 C ATOM 227 O LEU A 34 12.174 -1.161 -3.263 1.00 0.62 O ATOM 228 CB LEU A 34 12.856 2.164 -3.018 1.00 0.63 C ATOM 229 CG LEU A 34 12.183 2.295 -1.644 1.00 0.69 C ATOM 230 CD1 LEU A 34 11.024 3.262 -1.735 1.00 1.37 C ATOM 231 CD2 LEU A 34 11.715 0.958 -1.084 1.00 1.46 C ATOM 0 H LEU A 34 14.602 1.979 -4.731 1.00 0.72 H new ATOM 0 HA LEU A 34 13.981 0.419 -2.460 1.00 0.64 H new ATOM 0 HB2 LEU A 34 13.614 2.943 -3.097 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.106 2.371 -3.781 1.00 0.63 H new ATOM 0 HG LEU A 34 12.933 2.677 -0.951 1.00 0.69 H new ATOM 0 HD11 LEU A 34 10.548 3.353 -0.758 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.389 4.239 -2.053 1.00 1.37 H new ATOM 0 HD13 LEU A 34 10.298 2.893 -2.459 1.00 1.37 H new ATOM 0 HD21 LEU A 34 11.248 1.114 -0.112 1.00 1.46 H new ATOM 0 HD22 LEU A 34 10.992 0.511 -1.766 1.00 1.46 H new ATOM 0 HD23 LEU A 34 12.570 0.291 -0.973 1.00 1.46 H new ATOM 243 N ILE A 35 11.880 0.217 -5.031 1.00 0.54 N ATOM 244 CA ILE A 35 10.829 -0.579 -5.666 1.00 0.52 C ATOM 245 C ILE A 35 11.268 -2.033 -5.820 1.00 0.55 C ATOM 246 O ILE A 35 10.455 -2.957 -5.755 1.00 0.58 O ATOM 247 CB ILE A 35 10.453 0.008 -7.049 1.00 0.56 C ATOM 248 CG1 ILE A 35 9.875 1.418 -6.887 1.00 0.57 C ATOM 249 CG2 ILE A 35 9.460 -0.892 -7.771 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.566 2.108 -8.200 1.00 0.69 C ATOM 0 H ILE A 35 12.131 1.059 -5.549 1.00 0.54 H new ATOM 0 HA ILE A 35 9.951 -0.545 -5.021 1.00 0.52 H new ATOM 0 HB ILE A 35 11.359 0.066 -7.653 1.00 0.56 H new ATOM 0 HG12 ILE A 35 8.962 1.360 -6.294 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.582 2.028 -6.325 1.00 0.57 H new ATOM 0 HG21 ILE A 35 9.212 -0.457 -8.739 1.00 0.61 H new ATOM 0 HG22 ILE A 35 9.902 -1.877 -7.918 1.00 0.61 H new ATOM 0 HG23 ILE A 35 8.553 -0.987 -7.173 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.161 3.100 -8.003 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.480 2.199 -8.787 1.00 0.69 H new ATOM 0 HD13 ILE A 35 8.835 1.521 -8.756 1.00 0.69 H new ATOM 262 N GLU A 36 12.565 -2.225 -6.008 1.00 0.59 N ATOM 263 CA GLU A 36 13.132 -3.564 -6.079 1.00 0.66 C ATOM 264 C GLU A 36 12.981 -4.280 -4.744 1.00 0.62 C ATOM 265 O GLU A 36 12.345 -5.329 -4.661 1.00 0.62 O ATOM 266 CB GLU A 36 14.609 -3.504 -6.463 1.00 0.79 C ATOM 267 CG GLU A 36 14.849 -3.057 -7.889 1.00 0.76 C ATOM 268 CD GLU A 36 14.343 -4.063 -8.898 1.00 1.34 C ATOM 269 OE1 GLU A 36 15.145 -4.900 -9.356 1.00 2.15 O ATOM 270 OE2 GLU A 36 13.140 -4.024 -9.232 1.00 1.87 O ATOM 0 H GLU A 36 13.244 -1.472 -6.114 1.00 0.59 H new ATOM 0 HA GLU A 36 12.589 -4.119 -6.844 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.124 -2.822 -5.786 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.053 -4.489 -6.321 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.356 -2.099 -8.055 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.916 -2.897 -8.043 1.00 0.76 H new ATOM 277 N GLU A 37 13.540 -3.684 -3.698 1.00 0.62 N ATOM 278 CA GLU A 37 13.549 -4.295 -2.376 1.00 0.65 C ATOM 279 C GLU A 37 12.131 -4.481 -1.844 1.00 0.56 C ATOM 280 O GLU A 37 11.805 -5.519 -1.267 1.00 0.57 O ATOM 281 CB GLU A 37 14.358 -3.432 -1.405 1.00 0.73 C ATOM 282 CG GLU A 37 15.817 -3.271 -1.802 1.00 0.85 C ATOM 283 CD GLU A 37 16.579 -4.579 -1.778 1.00 1.30 C ATOM 284 OE1 GLU A 37 16.524 -5.326 -2.779 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.241 -4.867 -0.761 1.00 1.84 O ATOM 0 H GLU A 37 13.996 -2.772 -3.741 1.00 0.62 H new ATOM 0 HA GLU A 37 14.013 -5.278 -2.462 1.00 0.65 H new ATOM 0 HB2 GLU A 37 13.898 -2.446 -1.338 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.308 -3.875 -0.410 1.00 0.73 H new ATOM 0 HG2 GLU A 37 15.871 -2.842 -2.803 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.297 -2.564 -1.126 1.00 0.85 H new ATOM 292 N ALA A 38 11.294 -3.474 -2.055 1.00 0.51 N ATOM 293 CA ALA A 38 9.918 -3.502 -1.582 1.00 0.46 C ATOM 294 C ALA A 38 9.130 -4.616 -2.253 1.00 0.42 C ATOM 295 O ALA A 38 8.383 -5.341 -1.590 1.00 0.43 O ATOM 296 CB ALA A 38 9.246 -2.157 -1.821 1.00 0.50 C ATOM 0 H ALA A 38 11.548 -2.622 -2.555 1.00 0.51 H new ATOM 0 HA ALA A 38 9.934 -3.699 -0.510 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.218 -2.195 -1.462 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.789 -1.379 -1.285 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.249 -1.933 -2.888 1.00 0.50 H new ATOM 302 N ARG A 39 9.298 -4.771 -3.563 1.00 0.43 N ATOM 303 CA ARG A 39 8.582 -5.817 -4.270 1.00 0.45 C ATOM 304 C ARG A 39 9.125 -7.177 -3.890 1.00 0.45 C ATOM 305 O ARG A 39 8.359 -8.060 -3.578 1.00 0.49 O ATOM 306 CB ARG A 39 8.653 -5.671 -5.785 1.00 0.53 C ATOM 307 CG ARG A 39 7.750 -6.672 -6.502 1.00 0.60 C ATOM 308 CD ARG A 39 8.137 -6.833 -7.960 1.00 0.77 C ATOM 309 NE ARG A 39 7.326 -7.858 -8.620 1.00 1.46 N ATOM 310 CZ ARG A 39 7.233 -8.000 -9.942 1.00 1.90 C ATOM 311 NH1 ARG A 39 7.890 -7.179 -10.750 1.00 1.82 N ATOM 312 NH2 ARG A 39 6.484 -8.969 -10.453 1.00 2.96 N ATOM 0 H ARG A 39 9.911 -4.197 -4.142 1.00 0.43 H new ATOM 0 HA ARG A 39 7.538 -5.721 -3.973 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.364 -4.658 -6.065 1.00 0.53 H new ATOM 0 HB3 ARG A 39 9.682 -5.812 -6.114 1.00 0.53 H new ATOM 0 HG2 ARG A 39 7.808 -7.638 -6.001 1.00 0.60 H new ATOM 0 HG3 ARG A 39 6.714 -6.340 -6.435 1.00 0.60 H new ATOM 0 HD2 ARG A 39 8.014 -5.881 -8.477 1.00 0.77 H new ATOM 0 HD3 ARG A 39 9.191 -7.101 -8.030 1.00 0.77 H new ATOM 0 HE ARG A 39 6.799 -8.504 -8.031 1.00 1.46 H new ATOM 0 HH11 ARG A 39 8.469 -6.435 -10.360 1.00 1.82 H new ATOM 0 HH12 ARG A 39 7.816 -7.291 -11.761 1.00 1.82 H new ATOM 0 HH21 ARG A 39 5.980 -9.604 -9.834 1.00 2.96 H new ATOM 0 HH22 ARG A 39 6.412 -9.078 -11.465 1.00 2.96 H new ATOM 326 N LYS A 40 10.447 -7.336 -3.908 1.00 0.49 N ATOM 327 CA LYS A 40 11.071 -8.625 -3.607 1.00 0.55 C ATOM 328 C LYS A 40 10.661 -9.113 -2.222 1.00 0.49 C ATOM 329 O LYS A 40 10.490 -10.314 -1.999 1.00 0.54 O ATOM 330 CB LYS A 40 12.594 -8.524 -3.711 1.00 0.70 C ATOM 331 CG LYS A 40 13.084 -8.237 -5.121 1.00 0.85 C ATOM 332 CD LYS A 40 14.592 -8.062 -5.167 1.00 1.27 C ATOM 333 CE LYS A 40 15.071 -7.737 -6.571 1.00 1.34 C ATOM 334 NZ LYS A 40 14.741 -8.819 -7.535 1.00 1.88 N ATOM 0 H LYS A 40 11.107 -6.590 -4.127 1.00 0.49 H new ATOM 0 HA LYS A 40 10.723 -9.351 -4.342 1.00 0.55 H new ATOM 0 HB2 LYS A 40 12.945 -7.736 -3.045 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.037 -9.457 -3.363 1.00 0.70 H new ATOM 0 HG2 LYS A 40 12.792 -9.054 -5.781 1.00 0.85 H new ATOM 0 HG3 LYS A 40 12.601 -7.335 -5.497 1.00 0.85 H new ATOM 0 HD2 LYS A 40 14.888 -7.264 -4.486 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.076 -8.974 -4.818 1.00 1.27 H new ATOM 0 HE2 LYS A 40 14.615 -6.804 -6.903 1.00 1.34 H new ATOM 0 HE3 LYS A 40 16.149 -7.578 -6.559 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 15.254 -8.659 -8.425 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 15.020 -9.738 -7.135 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 13.718 -8.818 -7.721 1.00 1.88 H new ATOM 348 N MET A 41 10.495 -8.173 -1.304 1.00 0.45 N ATOM 349 CA MET A 41 9.966 -8.477 0.014 1.00 0.46 C ATOM 350 C MET A 41 8.541 -9.015 -0.100 1.00 0.41 C ATOM 351 O MET A 41 8.234 -10.094 0.404 1.00 0.46 O ATOM 352 CB MET A 41 10.007 -7.229 0.898 1.00 0.57 C ATOM 353 CG MET A 41 9.189 -7.350 2.171 1.00 0.89 C ATOM 354 SD MET A 41 9.502 -6.010 3.331 1.00 1.10 S ATOM 355 CE MET A 41 11.202 -6.342 3.780 1.00 1.68 C ATOM 0 H MET A 41 10.721 -7.189 -1.450 1.00 0.45 H new ATOM 0 HA MET A 41 10.585 -9.246 0.476 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.043 -7.017 1.162 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.643 -6.377 0.324 1.00 0.57 H new ATOM 0 HG2 MET A 41 8.129 -7.364 1.917 1.00 0.89 H new ATOM 0 HG3 MET A 41 9.414 -8.302 2.653 1.00 0.89 H new ATOM 0 HE1 MET A 41 11.407 -5.922 4.765 1.00 1.68 H new ATOM 0 HE2 MET A 41 11.369 -7.419 3.803 1.00 1.68 H new ATOM 0 HE3 MET A 41 11.868 -5.888 3.046 1.00 1.68 H new ATOM 365 N ALA A 42 7.691 -8.272 -0.796 1.00 0.37 N ATOM 366 CA ALA A 42 6.302 -8.670 -1.002 1.00 0.39 C ATOM 367 C ALA A 42 6.202 -9.931 -1.858 1.00 0.42 C ATOM 368 O ALA A 42 5.260 -10.701 -1.719 1.00 0.49 O ATOM 369 CB ALA A 42 5.528 -7.538 -1.651 1.00 0.43 C ATOM 0 H ALA A 42 7.940 -7.384 -1.231 1.00 0.37 H new ATOM 0 HA ALA A 42 5.869 -8.892 -0.027 1.00 0.39 H new ATOM 0 HB1 ALA A 42 4.493 -7.844 -1.801 1.00 0.43 H new ATOM 0 HB2 ALA A 42 5.557 -6.660 -1.005 1.00 0.43 H new ATOM 0 HB3 ALA A 42 5.977 -7.295 -2.614 1.00 0.43 H new ATOM 375 N GLU A 43 7.173 -10.129 -2.743 1.00 0.45 N ATOM 376 CA GLU A 43 7.210 -11.305 -3.597 1.00 0.59 C ATOM 377 C GLU A 43 7.265 -12.558 -2.740 1.00 0.63 C ATOM 378 O GLU A 43 6.458 -13.475 -2.888 1.00 0.75 O ATOM 379 CB GLU A 43 8.427 -11.280 -4.524 1.00 0.71 C ATOM 380 CG GLU A 43 8.342 -10.234 -5.619 1.00 0.87 C ATOM 381 CD GLU A 43 7.195 -10.475 -6.578 1.00 1.66 C ATOM 382 OE1 GLU A 43 7.303 -11.392 -7.420 1.00 2.36 O ATOM 383 OE2 GLU A 43 6.189 -9.737 -6.512 1.00 2.41 O ATOM 0 H GLU A 43 7.949 -9.483 -2.886 1.00 0.45 H new ATOM 0 HA GLU A 43 6.307 -11.305 -4.208 1.00 0.59 H new ATOM 0 HB2 GLU A 43 9.322 -11.097 -3.929 1.00 0.71 H new ATOM 0 HB3 GLU A 43 8.544 -12.262 -4.981 1.00 0.71 H new ATOM 0 HG2 GLU A 43 8.229 -9.249 -5.166 1.00 0.87 H new ATOM 0 HG3 GLU A 43 9.279 -10.222 -6.177 1.00 0.87 H new ATOM 390 N LYS A 44 8.226 -12.569 -1.822 1.00 0.60 N ATOM 391 CA LYS A 44 8.416 -13.696 -0.913 1.00 0.70 C ATOM 392 C LYS A 44 7.342 -13.724 0.167 1.00 0.66 C ATOM 393 O LYS A 44 7.003 -14.787 0.686 1.00 0.75 O ATOM 394 CB LYS A 44 9.802 -13.644 -0.263 1.00 0.81 C ATOM 395 CG LYS A 44 10.895 -14.329 -1.070 1.00 1.39 C ATOM 396 CD LYS A 44 11.123 -13.662 -2.415 1.00 2.35 C ATOM 397 CE LYS A 44 12.146 -14.426 -3.237 1.00 3.19 C ATOM 398 NZ LYS A 44 12.397 -13.782 -4.549 1.00 3.63 N ATOM 0 H LYS A 44 8.889 -11.806 -1.687 1.00 0.60 H new ATOM 0 HA LYS A 44 8.335 -14.608 -1.505 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.079 -12.601 -0.108 1.00 0.81 H new ATOM 0 HB3 LYS A 44 9.747 -14.109 0.721 1.00 0.81 H new ATOM 0 HG2 LYS A 44 11.824 -14.320 -0.500 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.627 -15.374 -1.226 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.181 -13.606 -2.961 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.465 -12.638 -2.264 1.00 2.35 H new ATOM 0 HE2 LYS A 44 13.081 -14.493 -2.681 1.00 3.19 H new ATOM 0 HE3 LYS A 44 11.796 -15.446 -3.395 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 13.101 -14.335 -5.078 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 11.510 -13.741 -5.091 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 12.756 -12.817 -4.399 1.00 3.63 H new ATOM 412 N ALA A 45 6.811 -12.558 0.505 1.00 0.57 N ATOM 413 CA ALA A 45 5.777 -12.462 1.526 1.00 0.59 C ATOM 414 C ALA A 45 4.394 -12.729 0.942 1.00 0.59 C ATOM 415 O ALA A 45 3.395 -12.703 1.656 1.00 0.66 O ATOM 416 CB ALA A 45 5.820 -11.100 2.202 1.00 0.56 C ATOM 0 H ALA A 45 7.078 -11.666 0.088 1.00 0.57 H new ATOM 0 HA ALA A 45 5.975 -13.229 2.275 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.040 -11.046 2.962 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.794 -10.957 2.670 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.657 -10.320 1.459 1.00 0.56 H new ATOM 422 N ASN A 46 4.355 -12.985 -0.367 1.00 0.56 N ATOM 423 CA ASN A 46 3.115 -13.285 -1.084 1.00 0.60 C ATOM 424 C ASN A 46 2.122 -12.134 -0.987 1.00 0.54 C ATOM 425 O ASN A 46 0.912 -12.340 -0.864 1.00 0.63 O ATOM 426 CB ASN A 46 2.480 -14.586 -0.577 1.00 0.76 C ATOM 427 CG ASN A 46 3.218 -15.820 -1.063 1.00 1.41 C ATOM 428 OD1 ASN A 46 4.164 -16.287 -0.428 1.00 2.03 O ATOM 429 ND2 ASN A 46 2.791 -16.358 -2.194 1.00 2.18 N ATOM 0 H ASN A 46 5.184 -12.990 -0.961 1.00 0.56 H new ATOM 0 HA ASN A 46 3.375 -13.419 -2.134 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.467 -14.580 0.513 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.442 -14.633 -0.908 1.00 0.76 H new ATOM 0 HD21 ASN A 46 3.249 -17.189 -2.568 1.00 2.18 H new ATOM 0 HD22 ASN A 46 2.004 -15.942 -2.691 1.00 2.18 H new ATOM 436 N LEU A 47 2.642 -10.919 -1.054 1.00 0.44 N ATOM 437 CA LEU A 47 1.810 -9.730 -1.032 1.00 0.42 C ATOM 438 C LEU A 47 1.698 -9.176 -2.441 1.00 0.41 C ATOM 439 O LEU A 47 2.519 -9.493 -3.306 1.00 0.58 O ATOM 440 CB LEU A 47 2.402 -8.651 -0.123 1.00 0.43 C ATOM 441 CG LEU A 47 2.953 -9.123 1.219 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.470 -7.937 2.007 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.898 -9.865 2.015 1.00 0.59 C ATOM 0 H LEU A 47 3.642 -10.731 -1.124 1.00 0.44 H new ATOM 0 HA LEU A 47 0.829 -10.008 -0.646 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.204 -8.150 -0.665 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.631 -7.904 0.068 1.00 0.43 H new ATOM 0 HG LEU A 47 3.774 -9.814 1.029 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.862 -8.279 2.965 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.264 -7.445 1.445 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.657 -7.232 2.179 1.00 0.47 H new ATOM 0 HD21 LEU A 47 2.321 -10.189 2.966 1.00 0.59 H new ATOM 0 HD22 LEU A 47 1.051 -9.205 2.200 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.563 -10.736 1.452 1.00 0.59 H new ATOM 455 N ILE A 48 0.700 -8.346 -2.675 1.00 0.30 N ATOM 456 CA ILE A 48 0.510 -7.771 -3.990 1.00 0.32 C ATOM 457 C ILE A 48 1.028 -6.337 -4.038 1.00 0.32 C ATOM 458 O ILE A 48 0.351 -5.398 -3.613 1.00 0.33 O ATOM 459 CB ILE A 48 -0.971 -7.828 -4.420 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.472 -9.277 -4.356 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.142 -7.260 -5.826 1.00 0.43 C ATOM 462 CD1 ILE A 48 -2.916 -9.451 -4.777 1.00 0.53 C ATOM 0 H ILE A 48 0.014 -8.057 -1.977 1.00 0.30 H new ATOM 0 HA ILE A 48 1.087 -8.368 -4.696 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.563 -7.220 -3.737 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -0.842 -9.897 -4.994 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.355 -9.646 -3.337 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.193 -7.308 -6.113 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -0.809 -6.222 -5.842 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.547 -7.843 -6.529 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.192 -10.503 -4.703 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.559 -8.860 -4.124 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.038 -9.115 -5.807 1.00 0.53 H new ATOM 474 N LEU A 49 2.246 -6.186 -4.542 1.00 0.34 N ATOM 475 CA LEU A 49 2.865 -4.878 -4.695 1.00 0.35 C ATOM 476 C LEU A 49 2.349 -4.232 -5.979 1.00 0.35 C ATOM 477 O LEU A 49 2.507 -4.789 -7.067 1.00 0.44 O ATOM 478 CB LEU A 49 4.396 -5.027 -4.763 1.00 0.44 C ATOM 479 CG LEU A 49 5.240 -3.830 -4.279 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.758 -2.515 -4.865 1.00 0.90 C ATOM 481 CD2 LEU A 49 5.250 -3.754 -2.764 1.00 1.14 C ATOM 0 H LEU A 49 2.829 -6.963 -4.854 1.00 0.34 H new ATOM 0 HA LEU A 49 2.612 -4.250 -3.840 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.678 -5.900 -4.174 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.670 -5.238 -5.797 1.00 0.44 H new ATOM 0 HG LEU A 49 6.257 -3.996 -4.633 1.00 0.58 H new ATOM 0 HD11 LEU A 49 5.382 -1.701 -4.496 1.00 0.90 H new ATOM 0 HD12 LEU A 49 4.821 -2.556 -5.952 1.00 0.90 H new ATOM 0 HD13 LEU A 49 3.724 -2.342 -4.568 1.00 0.90 H new ATOM 0 HD21 LEU A 49 5.851 -2.902 -2.446 1.00 1.14 H new ATOM 0 HD22 LEU A 49 4.230 -3.634 -2.399 1.00 1.14 H new ATOM 0 HD23 LEU A 49 5.676 -4.671 -2.357 1.00 1.14 H new ATOM 493 N ILE A 50 1.724 -3.073 -5.852 1.00 0.33 N ATOM 494 CA ILE A 50 1.251 -2.332 -7.011 1.00 0.34 C ATOM 495 C ILE A 50 1.969 -0.989 -7.096 1.00 0.32 C ATOM 496 O ILE A 50 1.733 -0.095 -6.282 1.00 0.36 O ATOM 497 CB ILE A 50 -0.274 -2.095 -6.958 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.014 -3.418 -6.729 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.750 -1.432 -8.246 1.00 0.46 C ATOM 500 CD1 ILE A 50 -2.512 -3.261 -6.566 1.00 0.94 C ATOM 0 H ILE A 50 1.532 -2.624 -4.957 1.00 0.33 H new ATOM 0 HA ILE A 50 1.470 -2.930 -7.895 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.494 -1.430 -6.123 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -0.817 -4.084 -7.569 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.610 -3.900 -5.839 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.827 -1.271 -8.196 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.245 -0.474 -8.370 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.519 -2.077 -9.094 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.965 -4.240 -6.408 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -2.720 -2.622 -5.708 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.930 -2.808 -7.465 1.00 0.94 H new ATOM 512 N THR A 51 2.861 -0.865 -8.067 1.00 0.32 N ATOM 513 CA THR A 51 3.618 0.359 -8.262 1.00 0.35 C ATOM 514 C THR A 51 2.730 1.466 -8.830 1.00 0.38 C ATOM 515 O THR A 51 2.060 1.277 -9.849 1.00 0.55 O ATOM 516 CB THR A 51 4.811 0.111 -9.200 1.00 0.47 C ATOM 517 OG1 THR A 51 4.432 -0.803 -10.243 1.00 1.17 O ATOM 518 CG2 THR A 51 5.993 -0.450 -8.427 1.00 0.89 C ATOM 0 H THR A 51 3.078 -1.604 -8.736 1.00 0.32 H new ATOM 0 HA THR A 51 3.992 0.680 -7.290 1.00 0.35 H new ATOM 0 HB THR A 51 5.106 1.062 -9.643 1.00 0.47 H new ATOM 0 HG1 THR A 51 5.196 -0.955 -10.838 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.827 -0.618 -9.109 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.293 0.259 -7.655 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.709 -1.394 -7.962 1.00 0.89 H new ATOM 526 N VAL A 52 2.714 2.615 -8.168 1.00 0.39 N ATOM 527 CA VAL A 52 1.820 3.703 -8.545 1.00 0.49 C ATOM 528 C VAL A 52 2.563 5.041 -8.565 1.00 0.58 C ATOM 529 O VAL A 52 3.597 5.195 -7.919 1.00 0.80 O ATOM 530 CB VAL A 52 0.630 3.796 -7.553 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.378 4.844 -7.989 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.050 2.447 -7.387 1.00 1.04 C ATOM 0 H VAL A 52 3.311 2.819 -7.366 1.00 0.39 H new ATOM 0 HA VAL A 52 1.444 3.491 -9.546 1.00 0.49 H new ATOM 0 HB VAL A 52 1.037 4.100 -6.588 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.197 4.882 -7.271 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.108 5.819 -8.036 1.00 1.38 H new ATOM 0 HG13 VAL A 52 -0.769 4.585 -8.973 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -0.880 2.542 -6.687 1.00 1.04 H new ATOM 0 HG22 VAL A 52 -0.426 2.108 -8.352 1.00 1.04 H new ATOM 0 HG23 VAL A 52 0.668 1.722 -7.003 1.00 1.04 H new ATOM 542 N GLY A 53 2.059 5.991 -9.339 1.00 0.66 N ATOM 543 CA GLY A 53 2.544 7.351 -9.245 1.00 0.75 C ATOM 544 C GLY A 53 1.517 8.351 -9.729 1.00 0.81 C ATOM 545 O GLY A 53 1.443 8.626 -10.928 1.00 1.24 O ATOM 0 H GLY A 53 1.323 5.844 -10.030 1.00 0.66 H new ATOM 0 HA2 GLY A 53 2.806 7.572 -8.210 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.456 7.453 -9.834 1.00 0.75 H new ATOM 549 N ASP A 54 0.754 8.882 -8.763 1.00 0.71 N ATOM 550 CA ASP A 54 -0.283 9.912 -8.953 1.00 0.82 C ATOM 551 C ASP A 54 -1.414 9.608 -7.971 1.00 0.70 C ATOM 552 O ASP A 54 -1.740 8.439 -7.757 1.00 0.64 O ATOM 553 CB ASP A 54 -0.863 9.928 -10.374 1.00 1.08 C ATOM 554 CG ASP A 54 -1.714 11.151 -10.645 1.00 1.34 C ATOM 555 OD1 ASP A 54 -1.187 12.142 -11.188 1.00 1.75 O ATOM 556 OD2 ASP A 54 -2.916 11.128 -10.318 1.00 1.98 O ATOM 0 H ASP A 54 0.844 8.596 -7.788 1.00 0.71 H new ATOM 0 HA ASP A 54 0.173 10.888 -8.783 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -0.047 9.891 -11.095 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -1.464 9.031 -10.527 1.00 1.08 H new ATOM 561 N GLU A 55 -2.007 10.636 -7.367 1.00 0.80 N ATOM 562 CA GLU A 55 -3.066 10.421 -6.381 1.00 0.79 C ATOM 563 C GLU A 55 -4.326 9.887 -7.041 1.00 0.69 C ATOM 564 O GLU A 55 -5.137 9.219 -6.403 1.00 0.71 O ATOM 565 CB GLU A 55 -3.400 11.709 -5.637 1.00 0.95 C ATOM 566 CG GLU A 55 -2.226 12.298 -4.872 1.00 0.90 C ATOM 567 CD GLU A 55 -2.629 13.466 -3.999 1.00 1.53 C ATOM 568 OE1 GLU A 55 -2.783 14.588 -4.532 1.00 2.16 O ATOM 569 OE2 GLU A 55 -2.788 13.273 -2.776 1.00 2.21 O ATOM 0 H GLU A 55 -1.777 11.615 -7.539 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.693 9.685 -5.668 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.762 12.447 -6.352 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.215 11.514 -4.940 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -1.776 11.523 -4.251 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.463 12.624 -5.579 1.00 0.90 H new ATOM 576 N GLU A 56 -4.487 10.178 -8.320 1.00 0.70 N ATOM 577 CA GLU A 56 -5.645 9.712 -9.050 1.00 0.70 C ATOM 578 C GLU A 56 -5.383 8.325 -9.601 1.00 0.66 C ATOM 579 O GLU A 56 -6.309 7.550 -9.821 1.00 0.67 O ATOM 580 CB GLU A 56 -6.011 10.684 -10.164 1.00 0.82 C ATOM 581 CG GLU A 56 -6.372 12.067 -9.653 1.00 0.93 C ATOM 582 CD GLU A 56 -6.805 12.993 -10.763 1.00 1.33 C ATOM 583 OE1 GLU A 56 -8.013 13.031 -11.070 1.00 2.04 O ATOM 584 OE2 GLU A 56 -5.946 13.690 -11.332 1.00 1.89 O ATOM 0 H GLU A 56 -3.831 10.733 -8.870 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.493 9.660 -8.367 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -5.173 10.766 -10.856 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.852 10.281 -10.728 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -7.174 11.983 -8.920 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -5.513 12.497 -9.138 1.00 0.93 H new ATOM 591 N GLU A 57 -4.113 8.010 -9.807 1.00 0.65 N ATOM 592 CA GLU A 57 -3.725 6.658 -10.158 1.00 0.65 C ATOM 593 C GLU A 57 -3.908 5.753 -8.944 1.00 0.55 C ATOM 594 O GLU A 57 -4.170 4.559 -9.082 1.00 0.52 O ATOM 595 CB GLU A 57 -2.286 6.611 -10.671 1.00 0.73 C ATOM 596 CG GLU A 57 -1.909 5.269 -11.273 1.00 1.11 C ATOM 597 CD GLU A 57 -0.566 5.299 -11.968 1.00 1.52 C ATOM 598 OE1 GLU A 57 -0.534 5.588 -13.184 1.00 2.13 O ATOM 599 OE2 GLU A 57 0.460 5.036 -11.311 1.00 2.16 O ATOM 0 H GLU A 57 -3.339 8.671 -9.737 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.363 6.303 -10.967 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -2.149 7.390 -11.421 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -1.607 6.837 -9.849 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -1.890 4.515 -10.486 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -2.676 4.967 -11.986 1.00 1.11 H new ATOM 606 N LEU A 58 -3.789 6.334 -7.749 1.00 0.52 N ATOM 607 CA LEU A 58 -4.153 5.628 -6.526 1.00 0.48 C ATOM 608 C LEU A 58 -5.618 5.241 -6.573 1.00 0.46 C ATOM 609 O LEU A 58 -5.977 4.119 -6.248 1.00 0.44 O ATOM 610 CB LEU A 58 -3.897 6.476 -5.275 1.00 0.52 C ATOM 611 CG LEU A 58 -2.470 6.457 -4.730 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.389 7.268 -3.447 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.011 5.028 -4.477 1.00 0.74 C ATOM 0 H LEU A 58 -3.446 7.284 -7.605 1.00 0.52 H new ATOM 0 HA LEU A 58 -3.527 4.738 -6.465 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -4.165 7.508 -5.500 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -4.570 6.137 -4.487 1.00 0.52 H new ATOM 0 HG LEU A 58 -1.811 6.904 -5.474 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -1.367 7.247 -3.067 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -2.680 8.299 -3.649 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -3.061 6.840 -2.703 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -0.992 5.036 -4.089 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -2.672 4.557 -3.750 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -2.039 4.466 -5.411 1.00 0.74 H new ATOM 625 N LYS A 59 -6.455 6.177 -7.007 1.00 0.52 N ATOM 626 CA LYS A 59 -7.889 5.934 -7.136 1.00 0.57 C ATOM 627 C LYS A 59 -8.160 4.710 -8.006 1.00 0.51 C ATOM 628 O LYS A 59 -9.158 4.011 -7.834 1.00 0.58 O ATOM 629 CB LYS A 59 -8.579 7.171 -7.719 1.00 0.69 C ATOM 630 CG LYS A 59 -8.513 8.394 -6.812 1.00 0.76 C ATOM 631 CD LYS A 59 -9.023 9.642 -7.519 1.00 0.97 C ATOM 632 CE LYS A 59 -9.013 10.857 -6.604 1.00 1.64 C ATOM 633 NZ LYS A 59 -10.013 10.747 -5.509 1.00 2.26 N ATOM 0 H LYS A 59 -6.164 7.116 -7.277 1.00 0.52 H new ATOM 0 HA LYS A 59 -8.296 5.736 -6.144 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -8.119 7.415 -8.677 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.624 6.933 -7.918 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -9.106 8.215 -5.915 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -7.484 8.553 -6.488 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.405 9.842 -8.394 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -10.037 9.467 -7.878 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.019 10.977 -6.174 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -9.217 11.753 -7.191 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -10.077 11.655 -5.005 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -10.942 10.507 -5.910 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.720 10.002 -4.845 1.00 2.26 H new ATOM 647 N LYS A 60 -7.238 4.444 -8.908 1.00 0.49 N ATOM 648 CA LYS A 60 -7.355 3.337 -9.834 1.00 0.48 C ATOM 649 C LYS A 60 -6.729 2.075 -9.246 1.00 0.41 C ATOM 650 O LYS A 60 -7.311 0.992 -9.299 1.00 0.41 O ATOM 651 CB LYS A 60 -6.660 3.728 -11.130 1.00 0.58 C ATOM 652 CG LYS A 60 -7.041 5.127 -11.580 1.00 0.72 C ATOM 653 CD LYS A 60 -8.054 5.101 -12.711 1.00 1.19 C ATOM 654 CE LYS A 60 -7.411 4.635 -14.007 1.00 1.91 C ATOM 655 NZ LYS A 60 -6.393 5.599 -14.501 1.00 2.35 N ATOM 0 H LYS A 60 -6.384 4.991 -9.020 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.406 3.121 -10.026 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -5.580 3.673 -10.993 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -6.919 3.013 -11.911 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -7.453 5.680 -10.736 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.147 5.660 -11.905 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.878 4.437 -12.451 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -8.477 6.096 -12.848 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -6.944 3.663 -13.851 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.181 4.500 -14.766 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -6.202 5.417 -15.507 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -6.749 6.569 -14.387 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -5.515 5.486 -13.956 1.00 2.35 H new ATOM 669 N ALA A 61 -5.544 2.225 -8.667 1.00 0.40 N ATOM 670 CA ALA A 61 -4.808 1.099 -8.114 1.00 0.39 C ATOM 671 C ALA A 61 -5.482 0.557 -6.858 1.00 0.32 C ATOM 672 O ALA A 61 -5.538 -0.654 -6.655 1.00 0.34 O ATOM 673 CB ALA A 61 -3.372 1.504 -7.820 1.00 0.47 C ATOM 0 H ALA A 61 -5.071 3.123 -8.569 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.804 0.301 -8.856 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.831 0.653 -7.406 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -2.889 1.827 -8.742 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.365 2.323 -7.100 1.00 0.47 H new ATOM 679 N ILE A 62 -6.002 1.452 -6.023 1.00 0.31 N ATOM 680 CA ILE A 62 -6.692 1.047 -4.803 1.00 0.37 C ATOM 681 C ILE A 62 -8.012 0.369 -5.152 1.00 0.36 C ATOM 682 O ILE A 62 -8.399 -0.621 -4.532 1.00 0.38 O ATOM 683 CB ILE A 62 -6.960 2.245 -3.859 1.00 0.49 C ATOM 684 CG1 ILE A 62 -5.660 2.989 -3.543 1.00 0.45 C ATOM 685 CG2 ILE A 62 -7.604 1.765 -2.570 1.00 0.83 C ATOM 686 CD1 ILE A 62 -5.872 4.278 -2.776 1.00 0.53 C ATOM 0 H ILE A 62 -5.959 2.461 -6.169 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.040 0.349 -4.278 1.00 0.37 H new ATOM 0 HB ILE A 62 -7.640 2.931 -4.365 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.008 2.335 -2.965 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -5.142 3.212 -4.476 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -7.787 2.617 -1.915 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -8.549 1.272 -2.797 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -6.938 1.061 -2.071 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -4.909 4.752 -2.587 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -6.498 4.951 -3.361 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.362 4.060 -1.827 1.00 0.53 H new ATOM 698 N LYS A 63 -8.692 0.896 -6.167 1.00 0.37 N ATOM 699 CA LYS A 63 -9.931 0.297 -6.645 1.00 0.40 C ATOM 700 C LYS A 63 -9.645 -1.079 -7.244 1.00 0.35 C ATOM 701 O LYS A 63 -10.445 -2.007 -7.117 1.00 0.40 O ATOM 702 CB LYS A 63 -10.592 1.197 -7.689 1.00 0.49 C ATOM 703 CG LYS A 63 -11.974 0.731 -8.106 1.00 0.59 C ATOM 704 CD LYS A 63 -12.544 1.605 -9.209 1.00 1.21 C ATOM 705 CE LYS A 63 -13.958 1.188 -9.579 1.00 1.94 C ATOM 706 NZ LYS A 63 -14.022 -0.222 -10.050 1.00 2.76 N ATOM 0 H LYS A 63 -8.405 1.735 -6.672 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.614 0.185 -5.803 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.664 2.209 -7.291 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.953 1.246 -8.571 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.923 -0.303 -8.448 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.641 0.749 -7.244 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -12.544 2.646 -8.886 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -11.904 1.544 -10.089 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -14.609 1.310 -8.714 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -14.337 1.848 -10.359 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -14.963 -0.412 -10.449 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -13.298 -0.377 -10.781 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -13.849 -0.863 -9.250 1.00 2.76 H new ATOM 720 N LYS A 64 -8.493 -1.194 -7.894 1.00 0.34 N ATOM 721 CA LYS A 64 -8.037 -2.464 -8.439 1.00 0.39 C ATOM 722 C LYS A 64 -7.681 -3.435 -7.318 1.00 0.35 C ATOM 723 O LYS A 64 -7.920 -4.634 -7.427 1.00 0.40 O ATOM 724 CB LYS A 64 -6.839 -2.230 -9.366 1.00 0.51 C ATOM 725 CG LYS A 64 -6.137 -3.499 -9.822 1.00 1.05 C ATOM 726 CD LYS A 64 -5.181 -3.245 -10.985 1.00 1.04 C ATOM 727 CE LYS A 64 -4.221 -2.089 -10.723 1.00 1.59 C ATOM 728 NZ LYS A 64 -4.792 -0.781 -11.151 1.00 2.11 N ATOM 0 H LYS A 64 -7.854 -0.416 -8.057 1.00 0.34 H new ATOM 0 HA LYS A 64 -8.844 -2.911 -9.019 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -7.178 -1.681 -10.245 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.117 -1.595 -8.853 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -5.583 -3.926 -8.986 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -6.882 -4.236 -10.121 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.607 -4.150 -11.181 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -5.759 -3.034 -11.884 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -3.982 -2.050 -9.660 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -3.286 -2.267 -11.254 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -4.061 -0.044 -11.082 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -5.121 -0.851 -12.135 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -5.592 -0.533 -10.535 1.00 2.11 H new ATOM 742 N ALA A 65 -7.115 -2.909 -6.240 1.00 0.30 N ATOM 743 CA ALA A 65 -6.831 -3.711 -5.059 1.00 0.30 C ATOM 744 C ALA A 65 -8.129 -4.273 -4.489 1.00 0.33 C ATOM 745 O ALA A 65 -8.234 -5.466 -4.208 1.00 0.38 O ATOM 746 CB ALA A 65 -6.099 -2.880 -4.016 1.00 0.31 C ATOM 0 H ALA A 65 -6.843 -1.929 -6.160 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.186 -4.543 -5.342 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -5.894 -3.495 -3.139 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.159 -2.518 -4.433 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.718 -2.031 -3.727 1.00 0.31 H new ATOM 752 N ASP A 66 -9.118 -3.398 -4.344 1.00 0.35 N ATOM 753 CA ASP A 66 -10.458 -3.801 -3.922 1.00 0.41 C ATOM 754 C ASP A 66 -11.022 -4.851 -4.875 1.00 0.40 C ATOM 755 O ASP A 66 -11.624 -5.836 -4.453 1.00 0.47 O ATOM 756 CB ASP A 66 -11.382 -2.577 -3.886 1.00 0.48 C ATOM 757 CG ASP A 66 -12.840 -2.935 -3.658 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.257 -3.066 -2.489 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.588 -3.056 -4.654 1.00 1.36 O ATOM 0 H ASP A 66 -9.017 -2.397 -4.514 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.396 -4.234 -2.923 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.052 -1.904 -3.095 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.291 -2.033 -4.826 1.00 0.48 H new ATOM 764 N ASP A 67 -10.793 -4.637 -6.163 1.00 0.36 N ATOM 765 CA ASP A 67 -11.288 -5.530 -7.203 1.00 0.38 C ATOM 766 C ASP A 67 -10.694 -6.931 -7.067 1.00 0.40 C ATOM 767 O ASP A 67 -11.423 -7.926 -7.062 1.00 0.48 O ATOM 768 CB ASP A 67 -10.954 -4.955 -8.578 1.00 0.42 C ATOM 769 CG ASP A 67 -11.496 -5.799 -9.706 1.00 0.95 C ATOM 770 OD1 ASP A 67 -12.679 -5.622 -10.066 1.00 1.66 O ATOM 771 OD2 ASP A 67 -10.743 -6.630 -10.248 1.00 1.68 O ATOM 0 H ASP A 67 -10.261 -3.842 -6.517 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.369 -5.612 -7.092 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -11.361 -3.947 -8.655 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -9.872 -4.870 -8.680 1.00 0.42 H new ATOM 776 N ILE A 68 -9.373 -6.999 -6.943 1.00 0.37 N ATOM 777 CA ILE A 68 -8.670 -8.272 -6.819 1.00 0.41 C ATOM 778 C ILE A 68 -9.064 -8.986 -5.527 1.00 0.41 C ATOM 779 O ILE A 68 -9.219 -10.209 -5.496 1.00 0.47 O ATOM 780 CB ILE A 68 -7.137 -8.068 -6.843 1.00 0.43 C ATOM 781 CG1 ILE A 68 -6.704 -7.417 -8.161 1.00 0.46 C ATOM 782 CG2 ILE A 68 -6.412 -9.395 -6.643 1.00 0.48 C ATOM 783 CD1 ILE A 68 -5.234 -7.059 -8.211 1.00 0.51 C ATOM 0 H ILE A 68 -8.763 -6.181 -6.926 1.00 0.37 H new ATOM 0 HA ILE A 68 -8.958 -8.886 -7.672 1.00 0.41 H new ATOM 0 HB ILE A 68 -6.868 -7.404 -6.022 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -6.931 -8.096 -8.983 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -7.294 -6.514 -8.321 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -5.335 -9.228 -6.663 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -6.695 -9.823 -5.681 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -6.687 -10.084 -7.441 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -5.003 -6.603 -9.174 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.004 -6.355 -7.411 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -4.635 -7.961 -8.084 1.00 0.51 H new ATOM 795 N ALA A 69 -9.233 -8.210 -4.467 1.00 0.39 N ATOM 796 CA ALA A 69 -9.583 -8.757 -3.166 1.00 0.43 C ATOM 797 C ALA A 69 -11.001 -9.307 -3.155 1.00 0.47 C ATOM 798 O ALA A 69 -11.235 -10.438 -2.738 1.00 0.53 O ATOM 799 CB ALA A 69 -9.439 -7.693 -2.091 1.00 0.46 C ATOM 0 H ALA A 69 -9.133 -7.195 -4.483 1.00 0.39 H new ATOM 0 HA ALA A 69 -8.897 -9.579 -2.959 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.704 -8.116 -1.122 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.408 -7.341 -2.063 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.102 -6.857 -2.315 1.00 0.46 H new ATOM 805 N LYS A 70 -11.937 -8.510 -3.641 1.00 0.52 N ATOM 806 CA LYS A 70 -13.354 -8.824 -3.511 1.00 0.65 C ATOM 807 C LYS A 70 -13.805 -9.938 -4.427 1.00 0.63 C ATOM 808 O LYS A 70 -14.861 -10.528 -4.207 1.00 0.72 O ATOM 809 CB LYS A 70 -14.206 -7.590 -3.769 1.00 0.87 C ATOM 810 CG LYS A 70 -14.488 -6.762 -2.526 1.00 1.09 C ATOM 811 CD LYS A 70 -13.206 -6.328 -1.831 1.00 1.14 C ATOM 812 CE LYS A 70 -13.492 -5.722 -0.472 1.00 1.14 C ATOM 813 NZ LYS A 70 -14.388 -4.546 -0.571 1.00 1.50 N ATOM 0 H LYS A 70 -11.743 -7.637 -4.131 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.489 -9.167 -2.485 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -13.704 -6.962 -4.505 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.154 -7.901 -4.209 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -15.068 -5.881 -2.800 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -15.098 -7.342 -1.834 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -12.544 -7.186 -1.716 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -12.682 -5.602 -2.452 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -13.949 -6.473 0.172 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -12.554 -5.426 -0.002 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -14.506 -4.119 0.370 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -13.973 -3.847 -1.219 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -15.316 -4.846 -0.933 1.00 1.50 H new ATOM 827 N LYS A 71 -13.033 -10.225 -5.449 1.00 0.62 N ATOM 828 CA LYS A 71 -13.367 -11.325 -6.326 1.00 0.76 C ATOM 829 C LYS A 71 -13.270 -12.636 -5.557 1.00 0.83 C ATOM 830 O LYS A 71 -14.028 -13.577 -5.798 1.00 1.03 O ATOM 831 CB LYS A 71 -12.433 -11.346 -7.539 1.00 0.84 C ATOM 832 CG LYS A 71 -12.783 -12.415 -8.560 1.00 1.26 C ATOM 833 CD LYS A 71 -11.907 -12.314 -9.796 1.00 1.71 C ATOM 834 CE LYS A 71 -12.246 -13.391 -10.810 1.00 2.27 C ATOM 835 NZ LYS A 71 -13.646 -13.278 -11.294 1.00 2.71 N ATOM 0 H LYS A 71 -12.181 -9.721 -5.693 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.388 -11.197 -6.686 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.460 -10.370 -8.024 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.410 -11.504 -7.196 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -12.667 -13.401 -8.110 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.830 -12.317 -8.846 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -12.032 -11.332 -10.252 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -10.859 -12.401 -9.508 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -11.563 -13.320 -11.656 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -12.096 -14.373 -10.360 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -13.773 -13.880 -12.133 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -14.298 -13.586 -10.545 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -13.848 -12.289 -11.544 1.00 2.71 H new ATOM 849 N GLN A 72 -12.339 -12.683 -4.614 1.00 0.79 N ATOM 850 CA GLN A 72 -12.016 -13.937 -3.941 1.00 1.04 C ATOM 851 C GLN A 72 -12.104 -13.882 -2.407 1.00 1.06 C ATOM 852 O GLN A 72 -12.784 -14.701 -1.791 1.00 1.22 O ATOM 853 CB GLN A 72 -10.613 -14.383 -4.369 1.00 1.24 C ATOM 854 CG GLN A 72 -9.566 -13.285 -4.243 1.00 1.20 C ATOM 855 CD GLN A 72 -8.208 -13.687 -4.776 1.00 1.56 C ATOM 856 OE1 GLN A 72 -7.827 -14.858 -4.741 1.00 2.22 O ATOM 857 NE2 GLN A 72 -7.471 -12.715 -5.286 1.00 1.60 N ATOM 0 H GLN A 72 -11.798 -11.878 -4.299 1.00 0.79 H new ATOM 0 HA GLN A 72 -12.775 -14.657 -4.248 1.00 1.04 H new ATOM 0 HB2 GLN A 72 -10.310 -15.236 -3.762 1.00 1.24 H new ATOM 0 HB3 GLN A 72 -10.648 -14.725 -5.403 1.00 1.24 H new ATOM 0 HG2 GLN A 72 -9.911 -12.401 -4.778 1.00 1.20 H new ATOM 0 HG3 GLN A 72 -9.468 -13.005 -3.194 1.00 1.20 H new ATOM 0 HE21 GLN A 72 -7.824 -11.758 -5.295 1.00 1.60 H new ATOM 0 HE22 GLN A 72 -6.549 -12.922 -5.670 1.00 1.60 H new ATOM 866 N ASN A 73 -11.413 -12.924 -1.798 1.00 1.03 N ATOM 867 CA ASN A 73 -11.100 -12.995 -0.369 1.00 1.18 C ATOM 868 C ASN A 73 -11.747 -11.892 0.474 1.00 1.00 C ATOM 869 O ASN A 73 -11.296 -11.634 1.591 1.00 1.24 O ATOM 870 CB ASN A 73 -9.586 -12.994 -0.157 1.00 1.56 C ATOM 871 CG ASN A 73 -9.171 -13.792 1.066 1.00 1.73 C ATOM 872 OD1 ASN A 73 -8.849 -14.975 0.967 1.00 2.41 O ATOM 873 ND2 ASN A 73 -9.195 -13.162 2.230 1.00 2.12 N ATOM 0 H ASN A 73 -11.059 -12.090 -2.267 1.00 1.03 H new ATOM 0 HA ASN A 73 -11.532 -13.933 -0.020 1.00 1.18 H new ATOM 0 HB2 ASN A 73 -9.098 -13.408 -1.040 1.00 1.56 H new ATOM 0 HB3 ASN A 73 -9.237 -11.967 -0.052 1.00 1.56 H new ATOM 0 HD21 ASN A 73 -8.941 -13.659 3.084 1.00 2.12 H new ATOM 0 HD22 ASN A 73 -9.467 -12.180 2.273 1.00 2.12 H new ATOM 880 N SER A 74 -12.749 -11.203 -0.051 1.00 1.13 N ATOM 881 CA SER A 74 -13.309 -10.024 0.626 1.00 1.53 C ATOM 882 C SER A 74 -13.944 -10.298 1.999 1.00 1.47 C ATOM 883 O SER A 74 -14.664 -9.448 2.520 1.00 1.93 O ATOM 884 CB SER A 74 -14.316 -9.333 -0.270 1.00 2.50 C ATOM 885 OG SER A 74 -14.974 -10.256 -1.125 1.00 3.38 O ATOM 0 H SER A 74 -13.195 -11.432 -0.939 1.00 1.13 H new ATOM 0 HA SER A 74 -12.452 -9.380 0.821 1.00 1.53 H new ATOM 0 HB2 SER A 74 -15.053 -8.814 0.343 1.00 2.50 H new ATOM 0 HB3 SER A 74 -13.811 -8.576 -0.870 1.00 2.50 H new ATOM 0 HG SER A 74 -15.618 -9.778 -1.689 1.00 3.38 H new ATOM 891 N SER A 75 -13.691 -11.460 2.584 1.00 1.40 N ATOM 892 CA SER A 75 -14.045 -11.688 3.976 1.00 2.05 C ATOM 893 C SER A 75 -13.262 -10.698 4.849 1.00 1.90 C ATOM 894 O SER A 75 -13.732 -10.269 5.904 1.00 2.43 O ATOM 895 CB SER A 75 -13.733 -13.137 4.379 1.00 2.46 C ATOM 896 OG SER A 75 -14.358 -13.484 5.607 1.00 2.75 O ATOM 0 H SER A 75 -13.246 -12.252 2.121 1.00 1.40 H new ATOM 0 HA SER A 75 -15.114 -11.530 4.117 1.00 2.05 H new ATOM 0 HB2 SER A 75 -14.070 -13.814 3.594 1.00 2.46 H new ATOM 0 HB3 SER A 75 -12.654 -13.266 4.470 1.00 2.46 H new ATOM 0 HG SER A 75 -14.141 -14.412 5.834 1.00 2.75 H new ATOM 902 N GLU A 76 -12.064 -10.342 4.374 1.00 1.26 N ATOM 903 CA GLU A 76 -11.236 -9.306 4.989 1.00 1.12 C ATOM 904 C GLU A 76 -10.060 -8.979 4.070 1.00 0.74 C ATOM 905 O GLU A 76 -9.446 -9.880 3.492 1.00 0.88 O ATOM 906 CB GLU A 76 -10.718 -9.744 6.363 1.00 1.46 C ATOM 907 CG GLU A 76 -9.871 -8.685 7.059 1.00 1.50 C ATOM 908 CD GLU A 76 -9.365 -9.138 8.412 1.00 2.10 C ATOM 909 OE1 GLU A 76 -10.154 -9.138 9.381 1.00 2.76 O ATOM 910 OE2 GLU A 76 -8.175 -9.487 8.519 1.00 2.59 O ATOM 0 H GLU A 76 -11.642 -10.768 3.549 1.00 1.26 H new ATOM 0 HA GLU A 76 -11.852 -8.418 5.132 1.00 1.12 H new ATOM 0 HB2 GLU A 76 -11.567 -9.995 6.999 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -10.127 -10.652 6.247 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -9.022 -8.430 6.425 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -10.461 -7.777 7.182 1.00 1.50 H new ATOM 917 N ALA A 77 -9.759 -7.695 3.925 1.00 0.55 N ATOM 918 CA ALA A 77 -8.642 -7.260 3.100 1.00 0.44 C ATOM 919 C ALA A 77 -7.893 -6.112 3.767 1.00 0.37 C ATOM 920 O ALA A 77 -8.506 -5.197 4.319 1.00 0.42 O ATOM 921 CB ALA A 77 -9.133 -6.843 1.721 1.00 0.71 C ATOM 0 H ALA A 77 -10.275 -6.936 4.370 1.00 0.55 H new ATOM 0 HA ALA A 77 -7.953 -8.097 2.987 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -8.286 -6.520 1.116 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -9.623 -7.689 1.238 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -9.842 -6.021 1.820 1.00 0.71 H new ATOM 927 N LYS A 78 -6.570 -6.168 3.714 1.00 0.35 N ATOM 928 CA LYS A 78 -5.734 -5.125 4.290 1.00 0.37 C ATOM 929 C LYS A 78 -4.813 -4.570 3.213 1.00 0.33 C ATOM 930 O LYS A 78 -4.317 -5.316 2.368 1.00 0.37 O ATOM 931 CB LYS A 78 -4.904 -5.667 5.457 1.00 0.50 C ATOM 932 CG LYS A 78 -5.725 -6.290 6.577 1.00 0.63 C ATOM 933 CD LYS A 78 -4.823 -6.897 7.640 1.00 0.89 C ATOM 934 CE LYS A 78 -5.611 -7.645 8.705 1.00 1.04 C ATOM 935 NZ LYS A 78 -6.426 -6.735 9.555 1.00 1.67 N ATOM 0 H LYS A 78 -6.051 -6.929 3.276 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.377 -4.333 4.673 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -4.207 -6.413 5.075 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -4.306 -4.854 5.870 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -6.366 -5.532 7.028 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -6.380 -7.059 6.168 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -4.116 -7.579 7.168 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.238 -6.107 8.111 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -6.266 -8.372 8.224 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -4.921 -8.206 9.336 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -6.876 -7.282 10.316 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -5.812 -6.005 9.969 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -7.160 -6.282 8.974 1.00 1.67 H new ATOM 949 N ILE A 79 -4.585 -3.266 3.234 1.00 0.29 N ATOM 950 CA ILE A 79 -3.821 -2.616 2.178 1.00 0.29 C ATOM 951 C ILE A 79 -2.862 -1.571 2.750 1.00 0.29 C ATOM 952 O ILE A 79 -3.204 -0.857 3.687 1.00 0.40 O ATOM 953 CB ILE A 79 -4.768 -1.925 1.166 1.00 0.31 C ATOM 954 CG1 ILE A 79 -5.779 -2.922 0.591 1.00 0.37 C ATOM 955 CG2 ILE A 79 -3.970 -1.276 0.046 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.780 -2.296 -0.357 1.00 0.49 C ATOM 0 H ILE A 79 -4.916 -2.638 3.967 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.244 -3.391 1.673 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.319 -1.149 1.697 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -5.240 -3.711 0.067 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -6.317 -3.395 1.413 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -4.652 -0.795 -0.655 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.295 -0.530 0.465 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -3.390 -2.037 -0.476 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.463 -3.063 -0.723 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -7.346 -1.527 0.168 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -6.253 -1.847 -1.199 1.00 0.49 H new ATOM 968 N LEU A 80 -1.655 -1.501 2.203 1.00 0.23 N ATOM 969 CA LEU A 80 -0.739 -0.408 2.507 1.00 0.28 C ATOM 970 C LEU A 80 -0.751 0.605 1.388 1.00 0.30 C ATOM 971 O LEU A 80 -0.872 0.246 0.220 1.00 0.45 O ATOM 972 CB LEU A 80 0.709 -0.875 2.678 1.00 0.40 C ATOM 973 CG LEU A 80 1.046 -1.603 3.970 1.00 0.57 C ATOM 974 CD1 LEU A 80 2.553 -1.722 4.127 1.00 1.22 C ATOM 975 CD2 LEU A 80 0.432 -0.904 5.172 1.00 1.40 C ATOM 0 H LEU A 80 -1.287 -2.189 1.546 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.086 0.022 3.447 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.955 -1.532 1.844 1.00 0.40 H new ATOM 0 HB3 LEU A 80 1.359 -0.003 2.600 1.00 0.40 H new ATOM 0 HG LEU A 80 0.620 -2.605 3.918 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.782 -2.245 5.056 1.00 1.22 H new ATOM 0 HD12 LEU A 80 2.964 -2.280 3.286 1.00 1.22 H new ATOM 0 HD13 LEU A 80 2.996 -0.726 4.153 1.00 1.22 H new ATOM 0 HD21 LEU A 80 0.691 -1.448 6.080 1.00 1.40 H new ATOM 0 HD22 LEU A 80 0.817 0.114 5.237 1.00 1.40 H new ATOM 0 HD23 LEU A 80 -0.652 -0.876 5.062 1.00 1.40 H new ATOM 987 N ILE A 81 -0.647 1.867 1.741 1.00 0.27 N ATOM 988 CA ILE A 81 -0.338 2.882 0.760 1.00 0.27 C ATOM 989 C ILE A 81 0.954 3.572 1.158 1.00 0.27 C ATOM 990 O ILE A 81 0.958 4.475 1.995 1.00 0.33 O ATOM 991 CB ILE A 81 -1.468 3.927 0.614 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.758 3.251 0.150 1.00 0.28 C ATOM 993 CG2 ILE A 81 -1.063 5.015 -0.374 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.957 4.172 0.141 1.00 0.38 C ATOM 0 H ILE A 81 -0.771 2.213 2.693 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.231 2.393 -0.208 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.641 4.386 1.587 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.609 2.853 -0.854 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.968 2.402 0.801 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.870 5.742 -0.465 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.163 5.514 -0.016 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.867 4.567 -1.348 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.835 3.623 -0.199 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -4.133 4.550 1.148 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.769 5.008 -0.533 1.00 0.38 H new ATOM 1006 N LEU A 82 2.050 3.113 0.581 1.00 0.27 N ATOM 1007 CA LEU A 82 3.336 3.754 0.777 1.00 0.31 C ATOM 1008 C LEU A 82 3.406 5.002 -0.085 1.00 0.34 C ATOM 1009 O LEU A 82 2.900 5.015 -1.203 1.00 0.59 O ATOM 1010 CB LEU A 82 4.493 2.817 0.402 1.00 0.43 C ATOM 1011 CG LEU A 82 4.474 1.424 1.039 1.00 0.76 C ATOM 1012 CD1 LEU A 82 5.772 0.694 0.744 1.00 1.61 C ATOM 1013 CD2 LEU A 82 4.246 1.510 2.537 1.00 1.08 C ATOM 0 H LEU A 82 2.074 2.296 -0.029 1.00 0.27 H new ATOM 0 HA LEU A 82 3.433 4.011 1.832 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.499 2.697 -0.681 1.00 0.43 H new ATOM 0 HB3 LEU A 82 5.429 3.304 0.674 1.00 0.43 H new ATOM 0 HG LEU A 82 3.646 0.864 0.604 1.00 0.76 H new ATOM 0 HD11 LEU A 82 5.746 -0.295 1.202 1.00 1.61 H new ATOM 0 HD12 LEU A 82 5.895 0.591 -0.334 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.609 1.261 1.152 1.00 1.61 H new ATOM 0 HD21 LEU A 82 4.237 0.506 2.962 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.047 2.091 2.994 1.00 1.08 H new ATOM 0 HD23 LEU A 82 3.289 1.995 2.732 1.00 1.08 H new ATOM 1025 N LEU A 83 4.004 6.051 0.440 1.00 0.35 N ATOM 1026 CA LEU A 83 4.184 7.286 -0.309 1.00 0.42 C ATOM 1027 C LEU A 83 5.103 8.222 0.452 1.00 0.44 C ATOM 1028 O LEU A 83 5.356 8.010 1.639 1.00 0.55 O ATOM 1029 CB LEU A 83 2.825 7.956 -0.591 1.00 0.45 C ATOM 1030 CG LEU A 83 1.802 7.923 0.558 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.241 8.807 1.710 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.431 8.347 0.057 1.00 1.13 C ATOM 0 H LEU A 83 4.377 6.077 1.389 1.00 0.35 H new ATOM 0 HA LEU A 83 4.644 7.052 -1.269 1.00 0.42 H new ATOM 0 HB2 LEU A 83 3.005 8.997 -0.860 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.379 7.474 -1.461 1.00 0.45 H new ATOM 0 HG LEU A 83 1.741 6.899 0.926 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.498 8.763 2.506 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.201 8.459 2.090 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.340 9.835 1.362 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.282 8.319 0.881 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.486 9.360 -0.340 1.00 1.13 H new ATOM 0 HD23 LEU A 83 0.104 7.666 -0.729 1.00 1.13 H new ATOM 1044 N GLU A 84 5.620 9.241 -0.215 1.00 0.43 N ATOM 1045 CA GLU A 84 6.409 10.237 0.481 1.00 0.45 C ATOM 1046 C GLU A 84 5.732 11.594 0.385 1.00 0.47 C ATOM 1047 O GLU A 84 5.848 12.292 -0.624 1.00 0.54 O ATOM 1048 CB GLU A 84 7.805 10.317 -0.136 1.00 0.55 C ATOM 1049 CG GLU A 84 8.542 8.990 -0.157 1.00 1.29 C ATOM 1050 CD GLU A 84 9.869 9.068 -0.878 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.870 9.112 -2.125 1.00 1.94 O ATOM 1052 OE2 GLU A 84 10.921 9.074 -0.206 1.00 2.04 O ATOM 0 H GLU A 84 5.510 9.397 -1.217 1.00 0.43 H new ATOM 0 HA GLU A 84 6.494 9.952 1.530 1.00 0.45 H new ATOM 0 HB2 GLU A 84 7.720 10.691 -1.156 1.00 0.55 H new ATOM 0 HB3 GLU A 84 8.398 11.042 0.421 1.00 0.55 H new ATOM 0 HG2 GLU A 84 8.709 8.656 0.867 1.00 1.29 H new ATOM 0 HG3 GLU A 84 7.916 8.239 -0.639 1.00 1.29 H new ATOM 1059 N LYS A 85 5.028 11.946 1.453 1.00 0.45 N ATOM 1060 CA LYS A 85 4.464 13.275 1.645 1.00 0.56 C ATOM 1061 C LYS A 85 3.788 13.322 3.013 1.00 0.53 C ATOM 1062 O LYS A 85 3.473 12.270 3.577 1.00 0.53 O ATOM 1063 CB LYS A 85 3.501 13.664 0.507 1.00 0.74 C ATOM 1064 CG LYS A 85 2.338 12.716 0.263 1.00 1.00 C ATOM 1065 CD LYS A 85 1.752 12.958 -1.123 1.00 0.91 C ATOM 1066 CE LYS A 85 0.469 12.180 -1.359 1.00 1.66 C ATOM 1067 NZ LYS A 85 -0.686 12.787 -0.651 1.00 2.02 N ATOM 0 H LYS A 85 4.830 11.306 2.222 1.00 0.45 H new ATOM 0 HA LYS A 85 5.264 14.015 1.615 1.00 0.56 H new ATOM 0 HB2 LYS A 85 3.098 14.654 0.722 1.00 0.74 H new ATOM 0 HB3 LYS A 85 4.076 13.747 -0.416 1.00 0.74 H new ATOM 0 HG2 LYS A 85 2.675 11.683 0.349 1.00 1.00 H new ATOM 0 HG3 LYS A 85 1.571 12.865 1.023 1.00 1.00 H new ATOM 0 HD2 LYS A 85 1.555 14.023 -1.249 1.00 0.91 H new ATOM 0 HD3 LYS A 85 2.487 12.678 -1.878 1.00 0.91 H new ATOM 0 HE2 LYS A 85 0.260 12.141 -2.428 1.00 1.66 H new ATOM 0 HE3 LYS A 85 0.601 11.152 -1.023 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 -1.282 12.035 -0.250 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.341 13.400 0.115 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -1.246 13.352 -1.321 1.00 2.02 H new ATOM 1081 N PRO A 86 3.580 14.519 3.582 1.00 0.60 N ATOM 1082 CA PRO A 86 2.914 14.663 4.881 1.00 0.62 C ATOM 1083 C PRO A 86 1.464 14.190 4.836 1.00 0.61 C ATOM 1084 O PRO A 86 0.651 14.728 4.083 1.00 0.68 O ATOM 1085 CB PRO A 86 2.969 16.172 5.157 1.00 0.74 C ATOM 1086 CG PRO A 86 4.011 16.706 4.235 1.00 0.85 C ATOM 1087 CD PRO A 86 3.988 15.819 3.027 1.00 0.74 C ATOM 0 HA PRO A 86 3.396 14.061 5.651 1.00 0.62 H new ATOM 0 HB2 PRO A 86 2.003 16.641 4.971 1.00 0.74 H new ATOM 0 HB3 PRO A 86 3.225 16.372 6.197 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.799 17.740 3.964 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.993 16.696 4.708 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.283 16.177 2.276 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.965 15.765 2.547 1.00 0.74 H new ATOM 1095 N VAL A 87 1.145 13.181 5.635 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.210 12.653 5.695 1.00 0.62 C ATOM 1097 C VAL A 87 -0.813 12.859 7.080 1.00 0.62 C ATOM 1098 O VAL A 87 -0.210 12.513 8.098 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.275 11.148 5.323 1.00 0.69 C ATOM 1100 CG1 VAL A 87 0.126 10.930 3.873 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.600 10.308 6.243 1.00 0.88 C ATOM 0 H VAL A 87 1.808 12.711 6.252 1.00 0.59 H new ATOM 0 HA VAL A 87 -0.790 13.208 4.958 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.308 10.826 5.452 1.00 0.69 H new ATOM 0 HG11 VAL A 87 0.072 9.867 3.637 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -0.552 11.481 3.221 1.00 1.17 H new ATOM 0 HG13 VAL A 87 1.145 11.285 3.720 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.530 9.259 5.954 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.635 10.639 6.162 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.261 10.424 7.273 1.00 0.88 H new ATOM 1111 N SER A 88 -1.993 13.448 7.115 1.00 0.69 N ATOM 1112 CA SER A 88 -2.710 13.639 8.361 1.00 0.76 C ATOM 1113 C SER A 88 -3.645 12.453 8.615 1.00 0.72 C ATOM 1114 O SER A 88 -3.984 11.734 7.676 1.00 0.69 O ATOM 1115 CB SER A 88 -3.499 14.949 8.303 1.00 0.92 C ATOM 1116 OG SER A 88 -2.650 16.040 7.983 1.00 1.44 O ATOM 0 H SER A 88 -2.477 13.804 6.291 1.00 0.69 H new ATOM 0 HA SER A 88 -1.998 13.695 9.185 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.290 14.868 7.558 1.00 0.92 H new ATOM 0 HB3 SER A 88 -3.983 15.129 9.263 1.00 0.92 H new ATOM 0 HG SER A 88 -3.177 16.866 7.950 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.055 12.212 9.872 1.00 0.78 N ATOM 1123 CA PRO A 89 -4.917 11.072 10.223 1.00 0.79 C ATOM 1124 C PRO A 89 -6.130 10.919 9.298 1.00 0.67 C ATOM 1125 O PRO A 89 -6.435 9.817 8.833 1.00 0.65 O ATOM 1126 CB PRO A 89 -5.369 11.407 11.642 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.259 12.221 12.207 1.00 1.14 C ATOM 1128 CD PRO A 89 -3.696 13.014 11.059 1.00 0.92 C ATOM 0 HA PRO A 89 -4.386 10.125 10.130 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -6.306 11.963 11.639 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -5.536 10.504 12.228 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -4.622 12.881 12.995 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -3.495 11.583 12.652 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.128 14.014 11.013 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -2.617 13.137 11.148 1.00 0.92 H new ATOM 1136 N GLU A 90 -6.796 12.030 9.005 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.020 12.001 8.209 1.00 0.72 C ATOM 1138 C GLU A 90 -7.733 11.718 6.736 1.00 0.64 C ATOM 1139 O GLU A 90 -8.649 11.432 5.964 1.00 0.68 O ATOM 1140 CB GLU A 90 -8.791 13.313 8.348 1.00 0.87 C ATOM 1141 CG GLU A 90 -9.332 13.561 9.748 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.138 14.836 9.836 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -11.324 14.818 9.452 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -9.590 15.865 10.288 1.00 2.37 O ATOM 0 H GLU A 90 -6.510 12.962 9.306 1.00 0.71 H new ATOM 0 HA GLU A 90 -8.633 11.186 8.595 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -8.137 14.139 8.070 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -9.622 13.312 7.642 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -9.955 12.719 10.048 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -8.501 13.610 10.452 1.00 1.24 H new ATOM 1151 N TYR A 91 -6.465 11.792 6.352 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.061 11.468 4.988 1.00 0.62 C ATOM 1153 C TYR A 91 -6.223 9.972 4.756 1.00 0.52 C ATOM 1154 O TYR A 91 -6.669 9.535 3.695 1.00 0.52 O ATOM 1155 CB TYR A 91 -4.609 11.897 4.749 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.101 11.637 3.348 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -4.275 12.575 2.340 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.435 10.456 3.037 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -3.802 12.346 1.063 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -2.961 10.220 1.763 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.147 11.167 0.780 1.00 2.89 C ATOM 1162 OH TYR A 91 -2.673 10.936 -0.492 1.00 3.78 O ATOM 0 H TYR A 91 -5.699 12.073 6.964 1.00 0.62 H new ATOM 0 HA TYR A 91 -6.694 12.008 4.284 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -4.518 12.962 4.963 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -3.967 11.373 5.458 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -4.789 13.500 2.558 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.287 9.712 3.805 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -3.945 13.087 0.290 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.447 9.297 1.538 1.00 3.00 H new ATOM 0 HH TYR A 91 -3.020 11.622 -1.100 1.00 3.78 H new ATOM 1172 N GLU A 92 -5.879 9.195 5.776 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.019 7.752 5.720 1.00 0.42 C ATOM 1174 C GLU A 92 -7.491 7.363 5.730 1.00 0.42 C ATOM 1175 O GLU A 92 -7.902 6.438 5.034 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.293 7.107 6.900 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.533 5.613 7.020 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.763 4.987 8.158 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -5.135 5.212 9.330 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -3.786 4.261 7.890 1.00 1.14 O ATOM 0 H GLU A 92 -5.499 9.546 6.655 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.571 7.393 4.794 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.223 7.287 6.799 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.613 7.593 7.822 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.598 5.431 7.164 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -5.250 5.128 6.086 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.279 8.093 6.509 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.701 7.825 6.638 1.00 0.54 C ATOM 1189 C LYS A 93 -10.395 7.946 5.290 1.00 0.53 C ATOM 1190 O LYS A 93 -11.213 7.107 4.933 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.339 8.788 7.641 1.00 0.69 C ATOM 1192 CG LYS A 93 -9.717 8.728 9.029 1.00 1.51 C ATOM 1193 CD LYS A 93 -10.411 9.670 10.001 1.00 2.25 C ATOM 1194 CE LYS A 93 -11.838 9.229 10.300 1.00 2.80 C ATOM 1195 NZ LYS A 93 -11.884 7.890 10.946 1.00 3.25 N ATOM 0 H LYS A 93 -7.951 8.882 7.065 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.821 6.805 7.003 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.255 9.805 7.259 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -11.403 8.564 7.719 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -9.774 7.708 9.409 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -8.660 8.986 8.965 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -9.843 9.715 10.930 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -10.422 10.677 9.585 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -12.315 9.962 10.951 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -12.411 9.204 9.373 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -12.826 7.736 11.359 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -11.693 7.155 10.235 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -11.165 7.841 11.696 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.045 8.981 4.537 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.655 9.215 3.233 1.00 0.59 C ATOM 1211 C LYS A 94 -10.331 8.083 2.264 1.00 0.52 C ATOM 1212 O LYS A 94 -11.183 7.665 1.483 1.00 0.57 O ATOM 1213 CB LYS A 94 -10.197 10.555 2.655 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.626 11.751 3.490 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.265 13.063 2.818 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.681 14.255 3.666 1.00 1.97 C ATOM 1217 NZ LYS A 94 -9.952 14.303 4.960 1.00 2.44 N ATOM 0 H LYS A 94 -9.343 9.671 4.805 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.736 9.246 3.372 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.110 10.553 2.569 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.597 10.663 1.647 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.703 11.711 3.656 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.150 11.701 4.469 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -9.190 13.099 2.640 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -10.751 13.120 1.844 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.496 15.175 3.112 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.753 14.207 3.856 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.096 15.232 5.405 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -10.312 13.558 5.589 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -8.937 14.153 4.792 1.00 2.44 H new ATOM 1231 N LEU A 95 -9.108 7.575 2.331 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.690 6.488 1.455 1.00 0.45 C ATOM 1233 C LEU A 95 -9.251 5.152 1.941 1.00 0.39 C ATOM 1234 O LEU A 95 -9.589 4.279 1.140 1.00 0.41 O ATOM 1235 CB LEU A 95 -7.163 6.434 1.370 1.00 0.46 C ATOM 1236 CG LEU A 95 -6.510 7.675 0.752 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.997 7.556 0.786 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -6.992 7.880 -0.677 1.00 1.12 C ATOM 0 H LEU A 95 -8.390 7.896 2.980 1.00 0.47 H new ATOM 0 HA LEU A 95 -9.087 6.677 0.458 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.762 6.291 2.373 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.876 5.560 0.785 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.802 8.543 1.343 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -4.552 8.447 0.343 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.663 7.459 1.819 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -4.688 6.677 0.221 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -6.517 8.766 -1.098 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -6.731 7.009 -1.278 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -8.074 8.012 -0.681 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.359 5.007 3.257 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.951 3.818 3.863 1.00 0.40 C ATOM 1252 C GLN A 96 -11.438 3.773 3.522 1.00 0.45 C ATOM 1253 O GLN A 96 -12.005 2.709 3.297 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.718 3.851 5.386 1.00 0.53 C ATOM 1255 CG GLN A 96 -9.882 2.516 6.120 1.00 0.60 C ATOM 1256 CD GLN A 96 -11.313 2.234 6.545 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -11.744 2.660 7.614 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -12.043 1.485 5.737 1.00 2.20 N ATOM 0 H GLN A 96 -9.042 5.704 3.930 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.483 2.915 3.471 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -8.710 4.223 5.571 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.409 4.571 5.824 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -9.537 1.709 5.473 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -9.241 2.513 7.002 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -11.649 1.150 4.858 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -13.000 1.242 5.993 1.00 2.20 H new ATOM 1267 N LYS A 97 -12.060 4.943 3.467 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.457 5.045 3.051 1.00 0.64 C ATOM 1269 C LYS A 97 -13.602 4.882 1.537 1.00 0.65 C ATOM 1270 O LYS A 97 -14.640 4.427 1.055 1.00 0.72 O ATOM 1271 CB LYS A 97 -14.057 6.384 3.484 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.218 6.522 4.986 1.00 1.44 C ATOM 1273 CD LYS A 97 -14.739 7.896 5.365 1.00 1.95 C ATOM 1274 CE LYS A 97 -14.889 8.040 6.871 1.00 2.39 C ATOM 1275 NZ LYS A 97 -15.872 7.075 7.431 1.00 2.87 N ATOM 0 H LYS A 97 -11.623 5.834 3.704 1.00 0.52 H new ATOM 0 HA LYS A 97 -14.000 4.236 3.540 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.422 7.192 3.120 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -15.031 6.506 3.010 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -14.904 5.758 5.351 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -13.259 6.348 5.473 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -14.057 8.660 4.992 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -15.703 8.066 4.885 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -13.921 7.888 7.347 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -15.204 9.056 7.108 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -16.082 7.327 8.418 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -16.748 7.107 6.871 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -15.474 6.115 7.396 1.00 2.87 H new ATOM 1289 N TYR A 98 -12.562 5.248 0.794 1.00 0.63 N ATOM 1290 CA TYR A 98 -12.596 5.169 -0.665 1.00 0.68 C ATOM 1291 C TYR A 98 -12.742 3.725 -1.127 1.00 0.64 C ATOM 1292 O TYR A 98 -13.508 3.429 -2.045 1.00 0.73 O ATOM 1293 CB TYR A 98 -11.331 5.781 -1.275 1.00 0.71 C ATOM 1294 CG TYR A 98 -11.309 5.728 -2.787 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -12.154 6.534 -3.538 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -10.450 4.869 -3.461 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -12.145 6.486 -4.918 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -10.435 4.816 -4.841 1.00 2.50 C ATOM 1299 CZ TYR A 98 -11.286 5.624 -5.565 1.00 2.73 C ATOM 1300 OH TYR A 98 -11.273 5.578 -6.940 1.00 3.64 O ATOM 0 H TYR A 98 -11.685 5.602 1.177 1.00 0.63 H new ATOM 0 HA TYR A 98 -13.461 5.737 -1.006 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -11.247 6.819 -0.954 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.458 5.255 -0.887 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -12.830 7.210 -3.035 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -9.784 4.233 -2.897 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -12.808 7.121 -5.487 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -9.760 4.145 -5.351 1.00 2.50 H new ATOM 0 HH TYR A 98 -10.573 4.961 -7.240 1.00 3.64 H new ATOM 1310 N ALA A 99 -12.008 2.834 -0.490 1.00 0.56 N ATOM 1311 CA ALA A 99 -12.055 1.423 -0.828 1.00 0.56 C ATOM 1312 C ALA A 99 -12.387 0.604 0.402 1.00 0.52 C ATOM 1313 O ALA A 99 -11.749 0.764 1.441 1.00 0.60 O ATOM 1314 CB ALA A 99 -10.722 0.979 -1.403 1.00 0.59 C ATOM 0 H ALA A 99 -11.367 3.063 0.270 1.00 0.56 H new ATOM 0 HA ALA A 99 -12.832 1.267 -1.577 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -10.769 -0.081 -1.653 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -10.504 1.555 -2.302 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.935 1.144 -0.667 1.00 0.59 H new ATOM 1320 N ASP A 100 -13.386 -0.263 0.300 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.754 -1.094 1.435 1.00 0.53 C ATOM 1322 C ASP A 100 -12.648 -2.097 1.717 1.00 0.47 C ATOM 1323 O ASP A 100 -12.516 -3.116 1.042 1.00 0.51 O ATOM 1324 CB ASP A 100 -15.072 -1.823 1.159 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.404 -2.855 2.220 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.155 -4.053 1.982 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.920 -2.474 3.290 1.00 1.73 O ATOM 0 H ASP A 100 -13.946 -0.407 -0.541 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.890 -0.457 2.309 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.880 -1.094 1.102 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -15.015 -2.313 0.187 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.865 -1.772 2.725 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.750 -2.580 3.172 1.00 0.39 C ATOM 1334 C ALA A 101 -10.161 -1.915 4.385 1.00 0.37 C ATOM 1335 O ALA A 101 -10.647 -0.865 4.815 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.698 -2.716 2.076 1.00 0.43 C ATOM 0 H ALA A 101 -11.990 -0.918 3.269 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.093 -3.585 3.415 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -8.872 -3.328 2.439 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.143 -3.189 1.201 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.326 -1.728 1.804 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.128 -2.494 4.938 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.394 -1.821 5.975 1.00 0.31 C ATOM 1344 C GLU A 102 -7.089 -1.298 5.406 1.00 0.29 C ATOM 1345 O GLU A 102 -6.073 -1.998 5.415 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.106 -2.746 7.143 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.313 -3.495 7.674 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.002 -4.196 8.974 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -8.592 -5.374 8.936 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.148 -3.565 10.046 1.00 1.77 O ATOM 0 H GLU A 102 -8.779 -3.420 4.691 1.00 0.31 H new ATOM 0 HA GLU A 102 -9.002 -0.995 6.343 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.352 -3.471 6.837 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.674 -2.160 7.954 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.138 -2.798 7.824 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.643 -4.226 6.935 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.113 -0.081 4.886 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.906 0.503 4.341 1.00 0.32 C ATOM 1359 C VAL A 103 -5.142 1.220 5.441 1.00 0.32 C ATOM 1360 O VAL A 103 -5.723 1.909 6.285 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.167 1.466 3.151 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -6.607 2.844 3.613 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -4.926 1.579 2.285 1.00 1.05 C ATOM 0 H VAL A 103 -7.942 0.510 4.832 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.311 -0.318 3.942 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.983 1.042 2.565 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -6.777 3.481 2.745 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -7.530 2.758 4.187 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -5.830 3.283 4.239 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -5.122 2.257 1.454 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -4.100 1.966 2.882 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -4.663 0.595 1.896 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.850 1.006 5.451 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.969 1.656 6.389 1.00 0.37 C ATOM 1375 C ARG A 104 -1.960 2.471 5.605 1.00 0.33 C ATOM 1376 O ARG A 104 -0.996 1.927 5.064 1.00 0.38 O ATOM 1377 CB ARG A 104 -2.267 0.605 7.253 1.00 0.46 C ATOM 1378 CG ARG A 104 -1.437 1.180 8.388 1.00 1.23 C ATOM 1379 CD ARG A 104 -0.661 0.085 9.104 1.00 1.26 C ATOM 1380 NE ARG A 104 -1.540 -0.965 9.625 1.00 1.50 N ATOM 1381 CZ ARG A 104 -1.272 -2.272 9.542 1.00 1.82 C ATOM 1382 NH1 ARG A 104 -0.170 -2.695 8.939 1.00 1.78 N ATOM 1383 NH2 ARG A 104 -2.106 -3.163 10.060 1.00 2.71 N ATOM 0 H ARG A 104 -3.377 0.373 4.806 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.532 2.314 7.051 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -3.018 -0.065 7.671 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -1.621 0.001 6.616 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -0.744 1.925 7.996 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -2.088 1.692 9.096 1.00 1.23 H new ATOM 0 HD2 ARG A 104 0.061 -0.356 8.416 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -0.093 0.522 9.925 1.00 1.26 H new ATOM 0 HE ARG A 104 -2.409 -0.682 10.078 1.00 1.50 H new ATOM 0 HH11 ARG A 104 0.480 -2.022 8.534 1.00 1.78 H new ATOM 0 HH12 ARG A 104 0.028 -3.694 8.880 1.00 1.78 H new ATOM 0 HH21 ARG A 104 -2.959 -2.853 10.526 1.00 2.71 H new ATOM 0 HH22 ARG A 104 -1.895 -4.159 9.993 1.00 2.71 H new ATOM 1397 N VAL A 105 -2.195 3.766 5.506 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.330 4.605 4.703 1.00 0.31 C ATOM 1399 C VAL A 105 0.009 4.778 5.417 1.00 0.31 C ATOM 1400 O VAL A 105 0.054 5.008 6.625 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.964 5.980 4.385 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.342 5.798 3.765 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -2.037 6.861 5.621 1.00 0.71 C ATOM 0 H VAL A 105 -2.965 4.253 5.964 1.00 0.31 H new ATOM 0 HA VAL A 105 -1.177 4.109 3.745 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.322 6.486 3.663 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.775 6.774 3.547 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.253 5.226 2.841 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.987 5.263 4.462 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.488 7.818 5.359 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.644 6.370 6.382 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -1.032 7.027 6.009 1.00 0.71 H new ATOM 1413 N ARG A 106 1.100 4.623 4.690 1.00 0.31 N ATOM 1414 CA ARG A 106 2.420 4.652 5.298 1.00 0.35 C ATOM 1415 C ARG A 106 3.305 5.669 4.596 1.00 0.29 C ATOM 1416 O ARG A 106 3.653 5.500 3.426 1.00 0.31 O ATOM 1417 CB ARG A 106 3.072 3.266 5.230 1.00 0.46 C ATOM 1418 CG ARG A 106 2.252 2.140 5.857 1.00 0.79 C ATOM 1419 CD ARG A 106 2.335 2.145 7.378 1.00 0.87 C ATOM 1420 NE ARG A 106 1.622 3.273 7.974 1.00 1.30 N ATOM 1421 CZ ARG A 106 1.765 3.664 9.237 1.00 1.70 C ATOM 1422 NH1 ARG A 106 2.607 3.033 10.043 1.00 1.88 N ATOM 1423 NH2 ARG A 106 1.060 4.684 9.698 1.00 2.63 N ATOM 0 H ARG A 106 1.100 4.476 3.681 1.00 0.31 H new ATOM 0 HA ARG A 106 2.308 4.940 6.343 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.261 3.020 4.185 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.041 3.311 5.727 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.210 2.238 5.551 1.00 0.79 H new ATOM 0 HG3 ARG A 106 2.606 1.181 5.479 1.00 0.79 H new ATOM 0 HD2 ARG A 106 1.922 1.213 7.764 1.00 0.87 H new ATOM 0 HD3 ARG A 106 3.381 2.180 7.681 1.00 0.87 H new ATOM 0 HE ARG A 106 0.973 3.794 7.384 1.00 1.30 H new ATOM 0 HH11 ARG A 106 3.150 2.243 9.696 1.00 1.88 H new ATOM 0 HH12 ARG A 106 2.712 3.338 11.011 1.00 1.88 H new ATOM 0 HH21 ARG A 106 0.406 5.171 9.085 1.00 2.63 H new ATOM 0 HH22 ARG A 106 1.170 4.984 10.667 1.00 2.63 H new ATOM 1437 N THR A 107 3.663 6.724 5.304 1.00 0.34 N ATOM 1438 CA THR A 107 4.536 7.736 4.744 1.00 0.36 C ATOM 1439 C THR A 107 5.993 7.361 5.023 1.00 0.40 C ATOM 1440 O THR A 107 6.398 7.176 6.173 1.00 0.56 O ATOM 1441 CB THR A 107 4.198 9.151 5.284 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.028 10.140 4.662 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.349 9.230 6.798 1.00 0.64 C ATOM 0 H THR A 107 3.364 6.901 6.263 1.00 0.34 H new ATOM 0 HA THR A 107 4.381 7.773 3.666 1.00 0.36 H new ATOM 0 HB THR A 107 3.155 9.349 5.038 1.00 0.50 H new ATOM 0 HG1 THR A 107 4.466 10.848 4.284 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.103 10.237 7.136 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.675 8.514 7.269 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.377 8.995 7.074 1.00 0.64 H new ATOM 1451 N VAL A 108 6.764 7.203 3.960 1.00 0.44 N ATOM 1452 CA VAL A 108 8.129 6.725 4.079 1.00 0.60 C ATOM 1453 C VAL A 108 9.132 7.849 3.857 1.00 0.68 C ATOM 1454 O VAL A 108 8.940 8.710 3.001 1.00 0.86 O ATOM 1455 CB VAL A 108 8.412 5.559 3.105 1.00 0.71 C ATOM 1456 CG1 VAL A 108 7.598 4.340 3.497 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.106 5.953 1.667 1.00 0.97 C ATOM 0 H VAL A 108 6.466 7.399 3.004 1.00 0.44 H new ATOM 0 HA VAL A 108 8.246 6.354 5.097 1.00 0.60 H new ATOM 0 HB VAL A 108 9.473 5.317 3.170 1.00 0.71 H new ATOM 0 HG11 VAL A 108 7.806 3.525 2.803 1.00 1.34 H new ATOM 0 HG12 VAL A 108 7.866 4.033 4.508 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.536 4.585 3.462 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.315 5.111 1.007 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.055 6.229 1.581 1.00 0.97 H new ATOM 0 HG23 VAL A 108 8.728 6.801 1.382 1.00 0.97 H new ATOM 1467 N THR A 109 10.182 7.855 4.663 1.00 0.68 N ATOM 1468 CA THR A 109 11.231 8.856 4.546 1.00 0.78 C ATOM 1469 C THR A 109 12.527 8.238 4.029 1.00 0.71 C ATOM 1470 O THR A 109 13.504 8.942 3.771 1.00 0.88 O ATOM 1471 CB THR A 109 11.489 9.539 5.902 1.00 0.96 C ATOM 1472 OG1 THR A 109 11.524 8.552 6.945 1.00 1.22 O ATOM 1473 CG2 THR A 109 10.411 10.569 6.207 1.00 1.11 C ATOM 0 H THR A 109 10.331 7.175 5.408 1.00 0.68 H new ATOM 0 HA THR A 109 10.891 9.604 3.830 1.00 0.78 H new ATOM 0 HB THR A 109 12.450 10.051 5.850 1.00 0.96 H new ATOM 0 HG1 THR A 109 11.690 8.991 7.805 1.00 1.22 H new ATOM 0 HG21 THR A 109 10.617 11.037 7.170 1.00 1.11 H new ATOM 0 HG22 THR A 109 10.405 11.331 5.428 1.00 1.11 H new ATOM 0 HG23 THR A 109 9.438 10.078 6.242 1.00 1.11 H new ATOM 1481 N SER A 110 12.524 6.919 3.870 1.00 0.59 N ATOM 1482 CA SER A 110 13.698 6.184 3.418 1.00 0.54 C ATOM 1483 C SER A 110 13.278 4.809 2.909 1.00 0.49 C ATOM 1484 O SER A 110 12.264 4.273 3.363 1.00 0.51 O ATOM 1485 CB SER A 110 14.716 6.028 4.558 1.00 0.62 C ATOM 1486 OG SER A 110 15.168 7.286 5.031 1.00 0.93 O ATOM 0 H SER A 110 11.710 6.331 4.050 1.00 0.59 H new ATOM 0 HA SER A 110 14.169 6.745 2.610 1.00 0.54 H new ATOM 0 HB2 SER A 110 14.262 5.472 5.378 1.00 0.62 H new ATOM 0 HB3 SER A 110 15.567 5.443 4.209 1.00 0.62 H new ATOM 0 HG SER A 110 14.895 7.988 4.404 1.00 0.93 H new ATOM 1492 N PRO A 111 14.029 4.219 1.961 1.00 0.49 N ATOM 1493 CA PRO A 111 13.724 2.881 1.440 1.00 0.49 C ATOM 1494 C PRO A 111 13.624 1.840 2.548 1.00 0.45 C ATOM 1495 O PRO A 111 12.763 0.958 2.514 1.00 0.50 O ATOM 1496 CB PRO A 111 14.907 2.570 0.521 1.00 0.58 C ATOM 1497 CG PRO A 111 15.447 3.900 0.129 1.00 0.60 C ATOM 1498 CD PRO A 111 15.212 4.808 1.306 1.00 0.54 C ATOM 0 HA PRO A 111 12.760 2.855 0.933 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.661 1.974 1.035 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.590 1.999 -0.352 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.509 3.835 -0.108 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.945 4.278 -0.761 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.072 4.830 1.975 1.00 0.54 H new ATOM 0 HD3 PRO A 111 15.027 5.835 0.991 1.00 0.54 H new ATOM 1506 N ASP A 112 14.497 1.965 3.539 1.00 0.47 N ATOM 1507 CA ASP A 112 14.520 1.043 4.667 1.00 0.49 C ATOM 1508 C ASP A 112 13.205 1.090 5.435 1.00 0.43 C ATOM 1509 O ASP A 112 12.684 0.054 5.852 1.00 0.45 O ATOM 1510 CB ASP A 112 15.676 1.380 5.603 1.00 0.60 C ATOM 1511 CG ASP A 112 15.885 0.312 6.651 1.00 1.16 C ATOM 1512 OD1 ASP A 112 16.688 -0.614 6.405 1.00 1.71 O ATOM 1513 OD2 ASP A 112 15.242 0.383 7.719 1.00 2.04 O ATOM 0 H ASP A 112 15.202 2.700 3.584 1.00 0.47 H new ATOM 0 HA ASP A 112 14.658 0.035 4.275 1.00 0.49 H new ATOM 0 HB2 ASP A 112 16.590 1.501 5.021 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.480 2.334 6.092 1.00 0.60 H new ATOM 1518 N GLU A 113 12.668 2.297 5.610 1.00 0.43 N ATOM 1519 CA GLU A 113 11.398 2.477 6.305 1.00 0.45 C ATOM 1520 C GLU A 113 10.301 1.691 5.606 1.00 0.37 C ATOM 1521 O GLU A 113 9.543 0.963 6.246 1.00 0.40 O ATOM 1522 CB GLU A 113 11.010 3.959 6.362 1.00 0.57 C ATOM 1523 CG GLU A 113 12.006 4.829 7.107 1.00 0.78 C ATOM 1524 CD GLU A 113 12.247 4.357 8.525 1.00 1.46 C ATOM 1525 OE1 GLU A 113 11.344 4.510 9.374 1.00 2.21 O ATOM 1526 OE2 GLU A 113 13.345 3.841 8.801 1.00 2.13 O ATOM 0 H GLU A 113 13.094 3.163 5.280 1.00 0.43 H new ATOM 0 HA GLU A 113 11.516 2.107 7.324 1.00 0.45 H new ATOM 0 HB2 GLU A 113 10.904 4.336 5.345 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.034 4.051 6.839 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.952 4.837 6.565 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.641 5.856 7.127 1.00 0.78 H new ATOM 1533 N ALA A 114 10.243 1.831 4.283 1.00 0.37 N ATOM 1534 CA ALA A 114 9.249 1.138 3.471 1.00 0.39 C ATOM 1535 C ALA A 114 9.303 -0.364 3.712 1.00 0.36 C ATOM 1536 O ALA A 114 8.272 -1.014 3.880 1.00 0.38 O ATOM 1537 CB ALA A 114 9.472 1.443 1.999 1.00 0.48 C ATOM 0 H ALA A 114 10.879 2.423 3.749 1.00 0.37 H new ATOM 0 HA ALA A 114 8.260 1.494 3.761 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.725 0.921 1.402 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.384 2.517 1.832 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.468 1.111 1.705 1.00 0.48 H new ATOM 1543 N LYS A 115 10.516 -0.898 3.754 1.00 0.38 N ATOM 1544 CA LYS A 115 10.722 -2.322 3.978 1.00 0.45 C ATOM 1545 C LYS A 115 10.222 -2.732 5.359 1.00 0.39 C ATOM 1546 O LYS A 115 9.639 -3.800 5.525 1.00 0.44 O ATOM 1547 CB LYS A 115 12.203 -2.672 3.825 1.00 0.57 C ATOM 1548 CG LYS A 115 12.744 -2.389 2.434 1.00 0.75 C ATOM 1549 CD LYS A 115 14.218 -2.753 2.296 1.00 0.77 C ATOM 1550 CE LYS A 115 14.455 -4.255 2.396 1.00 1.22 C ATOM 1551 NZ LYS A 115 14.677 -4.708 3.796 1.00 1.53 N ATOM 0 H LYS A 115 11.376 -0.363 3.635 1.00 0.38 H new ATOM 0 HA LYS A 115 10.150 -2.872 3.231 1.00 0.45 H new ATOM 0 HB2 LYS A 115 12.781 -2.105 4.555 1.00 0.57 H new ATOM 0 HB3 LYS A 115 12.346 -3.728 4.056 1.00 0.57 H new ATOM 0 HG2 LYS A 115 12.164 -2.950 1.701 1.00 0.75 H new ATOM 0 HG3 LYS A 115 12.611 -1.332 2.204 1.00 0.75 H new ATOM 0 HD2 LYS A 115 14.591 -2.392 1.338 1.00 0.77 H new ATOM 0 HD3 LYS A 115 14.790 -2.245 3.073 1.00 0.77 H new ATOM 0 HE2 LYS A 115 13.597 -4.783 1.979 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.320 -4.524 1.790 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 15.586 -5.209 3.859 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 14.692 -3.883 4.429 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 13.908 -5.349 4.080 1.00 1.53 H new ATOM 1565 N ARG A 116 10.438 -1.872 6.345 1.00 0.36 N ATOM 1566 CA ARG A 116 9.990 -2.150 7.702 1.00 0.39 C ATOM 1567 C ARG A 116 8.466 -2.204 7.778 1.00 0.35 C ATOM 1568 O ARG A 116 7.905 -3.105 8.399 1.00 0.42 O ATOM 1569 CB ARG A 116 10.531 -1.108 8.682 1.00 0.50 C ATOM 1570 CG ARG A 116 11.570 -1.661 9.644 1.00 1.14 C ATOM 1571 CD ARG A 116 12.833 -2.103 8.923 1.00 1.65 C ATOM 1572 NE ARG A 116 13.743 -2.826 9.814 1.00 2.40 N ATOM 1573 CZ ARG A 116 15.071 -2.847 9.681 1.00 3.29 C ATOM 1574 NH1 ARG A 116 15.669 -2.106 8.759 1.00 3.61 N ATOM 1575 NH2 ARG A 116 15.806 -3.590 10.499 1.00 4.21 N ATOM 0 H ARG A 116 10.919 -0.980 6.231 1.00 0.36 H new ATOM 0 HA ARG A 116 10.383 -3.127 7.984 1.00 0.39 H new ATOM 0 HB2 ARG A 116 10.971 -0.285 8.119 1.00 0.50 H new ATOM 0 HB3 ARG A 116 9.701 -0.694 9.255 1.00 0.50 H new ATOM 0 HG2 ARG A 116 11.821 -0.900 10.383 1.00 1.14 H new ATOM 0 HG3 ARG A 116 11.148 -2.506 10.188 1.00 1.14 H new ATOM 0 HD2 ARG A 116 12.566 -2.741 8.080 1.00 1.65 H new ATOM 0 HD3 ARG A 116 13.342 -1.230 8.514 1.00 1.65 H new ATOM 0 HE ARG A 116 13.334 -3.349 10.589 1.00 2.40 H new ATOM 0 HH11 ARG A 116 15.114 -1.512 8.143 1.00 3.61 H new ATOM 0 HH12 ARG A 116 16.684 -2.129 8.666 1.00 3.61 H new ATOM 0 HH21 ARG A 116 15.356 -4.144 11.228 1.00 4.21 H new ATOM 0 HH22 ARG A 116 16.821 -3.607 10.399 1.00 4.21 H new ATOM 1589 N TRP A 117 7.801 -1.250 7.129 1.00 0.31 N ATOM 1590 CA TRP A 117 6.341 -1.208 7.130 1.00 0.32 C ATOM 1591 C TRP A 117 5.764 -2.466 6.491 1.00 0.30 C ATOM 1592 O TRP A 117 4.796 -3.037 6.992 1.00 0.36 O ATOM 1593 CB TRP A 117 5.815 0.023 6.381 1.00 0.36 C ATOM 1594 CG TRP A 117 6.287 1.333 6.937 1.00 0.40 C ATOM 1595 CD1 TRP A 117 6.918 2.323 6.246 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.166 1.804 8.285 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.207 3.374 7.076 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.753 3.083 8.334 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.623 1.271 9.456 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.812 3.833 9.505 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.680 2.018 10.618 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.268 3.287 10.634 1.00 0.99 C ATOM 0 H TRP A 117 8.247 -0.501 6.599 1.00 0.31 H new ATOM 0 HA TRP A 117 6.022 -1.149 8.171 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.118 -0.045 5.336 1.00 0.36 H new ATOM 0 HB3 TRP A 117 4.725 0.006 6.398 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.157 2.285 5.193 1.00 0.47 H new ATOM 0 HE1 TRP A 117 7.683 4.233 6.801 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.166 0.292 9.454 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.271 4.811 9.521 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 5.263 1.615 11.529 1.00 0.98 H new ATOM 0 HH2 TRP A 117 6.293 3.847 11.557 1.00 0.99 H new ATOM 1613 N ILE A 118 6.366 -2.897 5.386 1.00 0.29 N ATOM 1614 CA ILE A 118 5.894 -4.075 4.669 1.00 0.32 C ATOM 1615 C ILE A 118 6.181 -5.348 5.464 1.00 0.36 C ATOM 1616 O ILE A 118 5.352 -6.260 5.509 1.00 0.40 O ATOM 1617 CB ILE A 118 6.533 -4.187 3.267 1.00 0.41 C ATOM 1618 CG1 ILE A 118 6.238 -2.930 2.443 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.020 -5.425 2.540 1.00 0.51 C ATOM 1620 CD1 ILE A 118 6.883 -2.937 1.071 1.00 0.57 C ATOM 0 H ILE A 118 7.181 -2.448 4.969 1.00 0.29 H new ATOM 0 HA ILE A 118 4.817 -3.962 4.547 1.00 0.32 H new ATOM 0 HB ILE A 118 7.612 -4.280 3.390 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.159 -2.827 2.327 1.00 0.44 H new ATOM 0 HG13 ILE A 118 6.585 -2.055 2.994 1.00 0.44 H new ATOM 0 HG21 ILE A 118 6.482 -5.486 1.555 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.273 -6.316 3.115 1.00 0.51 H new ATOM 0 HG23 ILE A 118 4.938 -5.360 2.430 1.00 0.51 H new ATOM 0 HD11 ILE A 118 6.630 -2.016 0.545 1.00 0.57 H new ATOM 0 HD12 ILE A 118 7.965 -3.008 1.178 1.00 0.57 H new ATOM 0 HD13 ILE A 118 6.518 -3.792 0.502 1.00 0.57 H new ATOM 1632 N LYS A 119 7.351 -5.400 6.097 1.00 0.41 N ATOM 1633 CA LYS A 119 7.733 -6.553 6.908 1.00 0.53 C ATOM 1634 C LYS A 119 6.709 -6.789 8.011 1.00 0.55 C ATOM 1635 O LYS A 119 6.274 -7.921 8.240 1.00 0.67 O ATOM 1636 CB LYS A 119 9.121 -6.351 7.526 1.00 0.63 C ATOM 1637 CG LYS A 119 9.602 -7.553 8.326 1.00 1.09 C ATOM 1638 CD LYS A 119 10.929 -7.284 9.018 1.00 1.34 C ATOM 1639 CE LYS A 119 11.410 -8.509 9.780 1.00 2.05 C ATOM 1640 NZ LYS A 119 12.693 -8.264 10.491 1.00 2.66 N ATOM 0 H LYS A 119 8.050 -4.658 6.064 1.00 0.41 H new ATOM 0 HA LYS A 119 7.765 -7.426 6.256 1.00 0.53 H new ATOM 0 HB2 LYS A 119 9.838 -6.141 6.732 1.00 0.63 H new ATOM 0 HB3 LYS A 119 9.099 -5.476 8.175 1.00 0.63 H new ATOM 0 HG2 LYS A 119 8.851 -7.816 9.071 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.707 -8.411 7.663 1.00 1.09 H new ATOM 0 HD2 LYS A 119 11.676 -6.996 8.278 1.00 1.34 H new ATOM 0 HD3 LYS A 119 10.820 -6.445 9.705 1.00 1.34 H new ATOM 0 HE2 LYS A 119 10.649 -8.808 10.501 1.00 2.05 H new ATOM 0 HE3 LYS A 119 11.535 -9.340 9.086 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 12.981 -9.127 10.996 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 13.428 -8.005 9.802 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 12.569 -7.489 11.173 1.00 2.66 H new ATOM 1654 N GLU A 120 6.320 -5.712 8.682 1.00 0.51 N ATOM 1655 CA GLU A 120 5.324 -5.786 9.741 1.00 0.63 C ATOM 1656 C GLU A 120 3.951 -6.094 9.154 1.00 0.60 C ATOM 1657 O GLU A 120 3.209 -6.912 9.690 1.00 0.79 O ATOM 1658 CB GLU A 120 5.272 -4.471 10.521 1.00 0.71 C ATOM 1659 CG GLU A 120 6.610 -4.044 11.099 1.00 1.43 C ATOM 1660 CD GLU A 120 6.517 -2.755 11.887 1.00 1.83 C ATOM 1661 OE1 GLU A 120 6.227 -1.698 11.286 1.00 2.48 O ATOM 1662 OE2 GLU A 120 6.740 -2.787 13.116 1.00 2.33 O ATOM 0 H GLU A 120 6.681 -4.774 8.510 1.00 0.51 H new ATOM 0 HA GLU A 120 5.607 -6.588 10.423 1.00 0.63 H new ATOM 0 HB2 GLU A 120 4.904 -3.684 9.863 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.552 -4.570 11.333 1.00 0.71 H new ATOM 0 HG2 GLU A 120 6.992 -4.834 11.745 1.00 1.43 H new ATOM 0 HG3 GLU A 120 7.329 -3.920 10.289 1.00 1.43 H new ATOM 1669 N PHE A 121 3.641 -5.457 8.030 1.00 0.44 N ATOM 1670 CA PHE A 121 2.345 -5.615 7.370 1.00 0.43 C ATOM 1671 C PHE A 121 2.132 -7.047 6.885 1.00 0.46 C ATOM 1672 O PHE A 121 1.001 -7.480 6.673 1.00 0.54 O ATOM 1673 CB PHE A 121 2.243 -4.640 6.195 1.00 0.38 C ATOM 1674 CG PHE A 121 0.956 -4.727 5.426 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.952 -5.149 4.107 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.247 -4.381 6.019 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.226 -5.222 3.394 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.429 -4.453 5.312 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.418 -4.874 3.997 1.00 0.67 C ATOM 0 H PHE A 121 4.276 -4.819 7.551 1.00 0.44 H new ATOM 0 HA PHE A 121 1.565 -5.394 8.098 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.359 -3.624 6.571 1.00 0.38 H new ATOM 0 HB3 PHE A 121 3.073 -4.824 5.513 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.882 -5.424 3.632 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.260 -4.051 7.047 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -0.216 -5.551 2.365 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.361 -4.181 5.786 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.342 -4.931 3.440 1.00 0.67 H new ATOM 1689 N SER A 122 3.221 -7.779 6.709 1.00 0.44 N ATOM 1690 CA SER A 122 3.139 -9.170 6.290 1.00 0.50 C ATOM 1691 C SER A 122 2.438 -10.009 7.361 1.00 0.58 C ATOM 1692 O SER A 122 1.809 -11.028 7.055 1.00 0.80 O ATOM 1693 CB SER A 122 4.538 -9.722 6.018 1.00 0.57 C ATOM 1694 OG SER A 122 5.232 -8.927 5.066 1.00 1.31 O ATOM 0 H SER A 122 4.171 -7.434 6.849 1.00 0.44 H new ATOM 0 HA SER A 122 2.556 -9.223 5.371 1.00 0.50 H new ATOM 0 HB2 SER A 122 5.105 -9.756 6.948 1.00 0.57 H new ATOM 0 HB3 SER A 122 4.462 -10.746 5.653 1.00 0.57 H new ATOM 0 HG SER A 122 5.326 -8.014 5.409 1.00 1.31 H new ATOM 1700 N GLU A 123 2.530 -9.552 8.611 1.00 0.63 N ATOM 1701 CA GLU A 123 1.955 -10.255 9.751 1.00 0.81 C ATOM 1702 C GLU A 123 2.258 -9.489 11.037 1.00 0.92 C ATOM 1703 O GLU A 123 3.292 -9.715 11.672 1.00 1.44 O ATOM 1704 CB GLU A 123 2.522 -11.678 9.837 1.00 1.25 C ATOM 1705 CG GLU A 123 1.879 -12.540 10.909 1.00 1.57 C ATOM 1706 CD GLU A 123 2.400 -13.961 10.895 1.00 1.91 C ATOM 1707 OE1 GLU A 123 1.766 -14.823 10.254 1.00 2.53 O ATOM 1708 OE2 GLU A 123 3.451 -14.225 11.520 1.00 2.37 O ATOM 0 H GLU A 123 3.006 -8.684 8.858 1.00 0.63 H new ATOM 0 HA GLU A 123 0.875 -10.318 9.621 1.00 0.81 H new ATOM 0 HB2 GLU A 123 2.397 -12.166 8.870 1.00 1.25 H new ATOM 0 HB3 GLU A 123 3.594 -11.619 10.028 1.00 1.25 H new ATOM 0 HG2 GLU A 123 2.065 -12.097 11.888 1.00 1.57 H new ATOM 0 HG3 GLU A 123 0.799 -12.550 10.764 1.00 1.57 H new ATOM 1715 N GLU A 124 1.385 -8.558 11.397 1.00 1.15 N ATOM 1716 CA GLU A 124 1.575 -7.771 12.607 1.00 1.53 C ATOM 1717 C GLU A 124 0.707 -8.305 13.743 1.00 2.14 C ATOM 1718 O GLU A 124 1.278 -8.816 14.730 1.00 2.76 O ATOM 1719 CB GLU A 124 1.312 -6.270 12.367 1.00 1.74 C ATOM 1720 CG GLU A 124 -0.092 -5.915 11.881 1.00 1.61 C ATOM 1721 CD GLU A 124 -0.318 -6.219 10.414 1.00 1.88 C ATOM 1722 OE1 GLU A 124 -0.743 -7.352 10.096 1.00 2.49 O ATOM 1723 OE2 GLU A 124 -0.088 -5.318 9.578 1.00 2.34 O ATOM 1724 OXT GLU A 124 -0.539 -8.248 13.637 1.00 2.57 O ATOM 0 H GLU A 124 0.542 -8.330 10.871 1.00 1.15 H new ATOM 0 HA GLU A 124 2.621 -7.870 12.898 1.00 1.53 H new ATOM 0 HB2 GLU A 124 1.502 -5.733 13.296 1.00 1.74 H new ATOM 0 HB3 GLU A 124 2.033 -5.906 11.635 1.00 1.74 H new ATOM 0 HG2 GLU A 124 -0.823 -6.464 12.475 1.00 1.61 H new ATOM 0 HG3 GLU A 124 -0.271 -4.854 12.056 1.00 1.61 H new TER 1731 GLU A 124