USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1005 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 73 THR OG1 : rot 180:sc= -0.215 USER MOD Set 1.2: A 76 GLN : amide:sc= -1.08 K(o=-1.3,f=-6!) USER MOD Set 2.1: A 43 THR OG1 : rot 128:sc= 0.0786 USER MOD Set 2.2: A 48 THR OG1 : rot -20:sc= -0.493 USER MOD Single : A 7 CYS SG : rot 180:sc=-0.00705 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 87:sc= 1.05 USER MOD Single : A 19 ASN : amide:sc= -0.0187 X(o=-0.019,f=-0.37) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -90:sc= -0.0625 USER MOD Single : A 24 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.89) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.185 (180deg=-0.343) USER MOD Single : A 26 THR OG1 : rot -13:sc= 0.776 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 46 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0246) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.13) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -1.51 USER MOD Single : A 62 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.17) USER MOD Single : A 63 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.6!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.62) USER MOD Single : A 80 HIS : no HD1:sc= -4.51! C(o=-4.5!,f=-5.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -153:sc= 0.00418 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.32 X(o=-1.3,f=-1.5!) USER MOD Single : A 101 ASN : amide:sc= -0.707 K(o=-0.71,f=-1.8!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.55) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.419 K(o=-0.42,f=-3!) USER MOD Single : A 121 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.712) USER MOD Single : A 122 THR OG1 : rot -61:sc= -0.94 USER MOD Single : A 124 MET CE :methyl -112:sc= -12.7! (180deg=-22.1!) USER MOD Single : A 127 LYS NZ :NH3+ -159:sc= 1.01 (180deg=0.672) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -17.225 6.429 1.386 1.00 1.03 N ATOM 93 CA CYS A 7 -15.834 6.151 0.922 1.00 0.85 C ATOM 94 C CYS A 7 -15.470 7.070 -0.255 1.00 0.70 C ATOM 95 O CYS A 7 -14.320 7.168 -0.638 1.00 0.89 O ATOM 96 CB CYS A 7 -15.736 4.692 0.469 1.00 1.55 C ATOM 97 SG CYS A 7 -16.176 4.574 -1.285 1.00 0.66 S ATOM 0 HA CYS A 7 -15.143 6.336 1.744 1.00 0.85 H new ATOM 0 HB2 CYS A 7 -14.724 4.318 0.627 1.00 1.55 H new ATOM 0 HB3 CYS A 7 -16.403 4.069 1.065 1.00 1.55 H new ATOM 0 HG CYS A 7 -16.091 3.336 -1.671 1.00 0.66 H new ATOM 102 N ASP A 8 -16.432 7.740 -0.840 1.00 0.89 N ATOM 103 CA ASP A 8 -16.125 8.638 -1.992 1.00 0.91 C ATOM 104 C ASP A 8 -15.082 9.690 -1.593 1.00 0.74 C ATOM 105 O ASP A 8 -14.445 10.281 -2.437 1.00 0.64 O ATOM 106 CB ASP A 8 -17.408 9.343 -2.441 1.00 1.28 C ATOM 107 CG ASP A 8 -17.088 10.303 -3.588 1.00 1.00 C ATOM 108 OD1 ASP A 8 -16.538 11.357 -3.317 1.00 1.20 O ATOM 109 OD2 ASP A 8 -17.401 9.968 -4.719 1.00 1.85 O ATOM 0 H ASP A 8 -17.415 7.703 -0.569 1.00 0.89 H new ATOM 0 HA ASP A 8 -15.723 8.037 -2.808 1.00 0.91 H new ATOM 0 HB2 ASP A 8 -18.146 8.608 -2.763 1.00 1.28 H new ATOM 0 HB3 ASP A 8 -17.846 9.890 -1.606 1.00 1.28 H new ATOM 114 N ILE A 9 -14.910 9.946 -0.324 1.00 1.13 N ATOM 115 CA ILE A 9 -13.910 10.972 0.095 1.00 1.19 C ATOM 116 C ILE A 9 -12.547 10.318 0.367 1.00 0.93 C ATOM 117 O ILE A 9 -11.615 10.430 -0.412 1.00 0.89 O ATOM 118 CB ILE A 9 -14.400 11.666 1.368 1.00 1.76 C ATOM 119 CG1 ILE A 9 -15.630 12.517 1.045 1.00 2.02 C ATOM 120 CG2 ILE A 9 -13.291 12.565 1.918 1.00 1.70 C ATOM 121 CD1 ILE A 9 -16.741 12.206 2.049 1.00 3.35 C ATOM 0 H ILE A 9 -15.415 9.492 0.437 1.00 1.13 H new ATOM 0 HA ILE A 9 -13.797 11.700 -0.708 1.00 1.19 H new ATOM 0 HB ILE A 9 -14.663 10.914 2.112 1.00 1.76 H new ATOM 0 HG12 ILE A 9 -15.374 13.576 1.085 1.00 2.02 H new ATOM 0 HG13 ILE A 9 -15.973 12.310 0.031 1.00 2.02 H new ATOM 0 HG21 ILE A 9 -13.640 13.060 2.825 1.00 1.70 H new ATOM 0 HG22 ILE A 9 -12.414 11.961 2.149 1.00 1.70 H new ATOM 0 HG23 ILE A 9 -13.029 13.316 1.173 1.00 1.70 H new ATOM 0 HD11 ILE A 9 -17.618 12.811 1.820 1.00 3.35 H new ATOM 0 HD12 ILE A 9 -17.003 11.150 1.986 1.00 3.35 H new ATOM 0 HD13 ILE A 9 -16.395 12.435 3.057 1.00 3.35 H new ATOM 133 N THR A 10 -12.423 9.659 1.487 1.00 0.83 N ATOM 134 CA THR A 10 -11.129 9.017 1.859 1.00 0.62 C ATOM 135 C THR A 10 -10.647 8.061 0.764 1.00 0.44 C ATOM 136 O THR A 10 -9.546 8.184 0.274 1.00 0.25 O ATOM 137 CB THR A 10 -11.311 8.238 3.163 1.00 0.73 C ATOM 138 OG1 THR A 10 -11.445 9.152 4.244 1.00 0.98 O ATOM 139 CG2 THR A 10 -10.096 7.340 3.401 1.00 0.93 C ATOM 0 H THR A 10 -13.172 9.537 2.168 1.00 0.83 H new ATOM 0 HA THR A 10 -10.381 9.800 1.984 1.00 0.62 H new ATOM 0 HB THR A 10 -12.207 7.620 3.094 1.00 0.73 H new ATOM 0 HG1 THR A 10 -11.563 8.655 5.080 1.00 0.98 H new ATOM 0 HG21 THR A 10 -10.229 6.787 4.331 1.00 0.93 H new ATOM 0 HG22 THR A 10 -9.994 6.639 2.573 1.00 0.93 H new ATOM 0 HG23 THR A 10 -9.198 7.954 3.469 1.00 0.93 H new ATOM 147 N LEU A 11 -11.440 7.091 0.397 1.00 0.70 N ATOM 148 CA LEU A 11 -10.991 6.115 -0.640 1.00 0.54 C ATOM 149 C LEU A 11 -10.535 6.833 -1.915 1.00 0.43 C ATOM 150 O LEU A 11 -9.713 6.326 -2.651 1.00 0.36 O ATOM 151 CB LEU A 11 -12.134 5.154 -0.977 1.00 0.57 C ATOM 152 CG LEU A 11 -11.641 3.711 -0.832 1.00 0.67 C ATOM 153 CD1 LEU A 11 -11.210 3.457 0.613 1.00 0.76 C ATOM 154 CD2 LEU A 11 -12.767 2.743 -1.204 1.00 0.91 C ATOM 0 H LEU A 11 -12.377 6.931 0.768 1.00 0.70 H new ATOM 0 HA LEU A 11 -10.146 5.558 -0.237 1.00 0.54 H new ATOM 0 HB2 LEU A 11 -12.980 5.330 -0.313 1.00 0.57 H new ATOM 0 HB3 LEU A 11 -12.485 5.330 -1.994 1.00 0.57 H new ATOM 0 HG LEU A 11 -10.792 3.554 -1.497 1.00 0.67 H new ATOM 0 HD11 LEU A 11 -10.860 2.430 0.713 1.00 0.76 H new ATOM 0 HD12 LEU A 11 -10.405 4.142 0.878 1.00 0.76 H new ATOM 0 HD13 LEU A 11 -12.058 3.618 1.279 1.00 0.76 H new ATOM 0 HD21 LEU A 11 -12.414 1.717 -1.100 1.00 0.91 H new ATOM 0 HD22 LEU A 11 -13.618 2.903 -0.542 1.00 0.91 H new ATOM 0 HD23 LEU A 11 -13.072 2.919 -2.236 1.00 0.91 H new ATOM 166 N GLN A 12 -11.052 7.997 -2.200 1.00 0.52 N ATOM 167 CA GLN A 12 -10.619 8.699 -3.444 1.00 0.52 C ATOM 168 C GLN A 12 -9.177 9.187 -3.282 1.00 0.49 C ATOM 169 O GLN A 12 -8.366 9.070 -4.184 1.00 0.41 O ATOM 170 CB GLN A 12 -11.564 9.874 -3.737 1.00 0.67 C ATOM 171 CG GLN A 12 -10.904 11.211 -3.383 1.00 1.37 C ATOM 172 CD GLN A 12 -11.905 12.344 -3.615 1.00 1.98 C ATOM 173 OE1 GLN A 12 -13.075 12.102 -3.834 1.00 1.93 O ATOM 174 NE2 GLN A 12 -11.489 13.578 -3.577 1.00 2.83 N ATOM 0 H GLN A 12 -11.746 8.487 -1.635 1.00 0.52 H new ATOM 0 HA GLN A 12 -10.660 8.009 -4.286 1.00 0.52 H new ATOM 0 HB2 GLN A 12 -11.841 9.869 -4.791 1.00 0.67 H new ATOM 0 HB3 GLN A 12 -12.485 9.756 -3.165 1.00 0.67 H new ATOM 0 HG2 GLN A 12 -10.578 11.205 -2.343 1.00 1.37 H new ATOM 0 HG3 GLN A 12 -10.015 11.364 -3.995 1.00 1.37 H new ATOM 0 HE21 GLN A 12 -10.506 13.779 -3.393 1.00 2.83 H new ATOM 0 HE22 GLN A 12 -12.146 14.343 -3.731 1.00 2.83 H new ATOM 183 N GLU A 13 -8.841 9.721 -2.141 1.00 0.62 N ATOM 184 CA GLU A 13 -7.445 10.201 -1.934 1.00 0.60 C ATOM 185 C GLU A 13 -6.501 8.996 -1.853 1.00 0.46 C ATOM 186 O GLU A 13 -5.331 9.089 -2.168 1.00 0.44 O ATOM 187 CB GLU A 13 -7.362 11.000 -0.632 1.00 0.74 C ATOM 188 CG GLU A 13 -5.975 11.633 -0.512 1.00 1.64 C ATOM 189 CD GLU A 13 -5.173 10.904 0.567 1.00 3.32 C ATOM 190 OE1 GLU A 13 -5.251 11.312 1.714 1.00 3.71 O ATOM 191 OE2 GLU A 13 -4.492 9.949 0.227 1.00 4.48 O ATOM 0 H GLU A 13 -9.468 9.846 -1.346 1.00 0.62 H new ATOM 0 HA GLU A 13 -7.155 10.840 -2.768 1.00 0.60 H new ATOM 0 HB2 GLU A 13 -8.129 11.774 -0.618 1.00 0.74 H new ATOM 0 HB3 GLU A 13 -7.551 10.348 0.221 1.00 0.74 H new ATOM 0 HG2 GLU A 13 -5.454 11.577 -1.468 1.00 1.64 H new ATOM 0 HG3 GLU A 13 -6.066 12.690 -0.261 1.00 1.64 H new ATOM 198 N ILE A 14 -7.003 7.867 -1.433 1.00 0.44 N ATOM 199 CA ILE A 14 -6.147 6.655 -1.329 1.00 0.42 C ATOM 200 C ILE A 14 -5.935 6.055 -2.723 1.00 0.37 C ATOM 201 O ILE A 14 -4.958 5.386 -2.973 1.00 0.47 O ATOM 202 CB ILE A 14 -6.838 5.632 -0.419 1.00 0.50 C ATOM 203 CG1 ILE A 14 -6.645 6.044 1.043 1.00 0.28 C ATOM 204 CG2 ILE A 14 -6.233 4.243 -0.633 1.00 0.87 C ATOM 205 CD1 ILE A 14 -7.701 5.354 1.908 1.00 0.63 C ATOM 0 H ILE A 14 -7.976 7.733 -1.156 1.00 0.44 H new ATOM 0 HA ILE A 14 -5.178 6.921 -0.907 1.00 0.42 H new ATOM 0 HB ILE A 14 -7.900 5.601 -0.661 1.00 0.50 H new ATOM 0 HG12 ILE A 14 -5.646 5.769 1.381 1.00 0.28 H new ATOM 0 HG13 ILE A 14 -6.729 7.126 1.142 1.00 0.28 H new ATOM 0 HG21 ILE A 14 -6.731 3.525 0.018 1.00 0.87 H new ATOM 0 HG22 ILE A 14 -6.367 3.944 -1.673 1.00 0.87 H new ATOM 0 HG23 ILE A 14 -5.169 4.269 -0.397 1.00 0.87 H new ATOM 0 HD11 ILE A 14 -7.566 5.646 2.949 1.00 0.63 H new ATOM 0 HD12 ILE A 14 -8.695 5.651 1.574 1.00 0.63 H new ATOM 0 HD13 ILE A 14 -7.596 4.273 1.818 1.00 0.63 H new ATOM 217 N ILE A 15 -6.841 6.287 -3.634 1.00 0.28 N ATOM 218 CA ILE A 15 -6.682 5.724 -5.005 1.00 0.34 C ATOM 219 C ILE A 15 -5.617 6.511 -5.770 1.00 0.40 C ATOM 220 O ILE A 15 -4.729 5.946 -6.377 1.00 0.46 O ATOM 221 CB ILE A 15 -8.017 5.820 -5.745 1.00 0.38 C ATOM 222 CG1 ILE A 15 -8.731 4.468 -5.683 1.00 0.37 C ATOM 223 CG2 ILE A 15 -7.769 6.188 -7.211 1.00 0.53 C ATOM 224 CD1 ILE A 15 -9.144 4.157 -4.240 1.00 1.51 C ATOM 0 H ILE A 15 -7.684 6.842 -3.488 1.00 0.28 H new ATOM 0 HA ILE A 15 -6.373 4.681 -4.935 1.00 0.34 H new ATOM 0 HB ILE A 15 -8.634 6.586 -5.275 1.00 0.38 H new ATOM 0 HG12 ILE A 15 -9.611 4.483 -6.326 1.00 0.37 H new ATOM 0 HG13 ILE A 15 -8.074 3.683 -6.059 1.00 0.37 H new ATOM 0 HG21 ILE A 15 -8.722 6.256 -7.735 1.00 0.53 H new ATOM 0 HG22 ILE A 15 -7.257 7.149 -7.263 1.00 0.53 H new ATOM 0 HG23 ILE A 15 -7.151 5.422 -7.679 1.00 0.53 H new ATOM 0 HD11 ILE A 15 -9.651 3.193 -4.207 1.00 1.51 H new ATOM 0 HD12 ILE A 15 -8.257 4.123 -3.607 1.00 1.51 H new ATOM 0 HD13 ILE A 15 -9.818 4.934 -3.879 1.00 1.51 H new ATOM 236 N LYS A 16 -5.707 7.811 -5.760 1.00 0.41 N ATOM 237 CA LYS A 16 -4.706 8.632 -6.500 1.00 0.50 C ATOM 238 C LYS A 16 -3.320 8.475 -5.869 1.00 0.47 C ATOM 239 O LYS A 16 -2.316 8.447 -6.555 1.00 0.54 O ATOM 240 CB LYS A 16 -5.126 10.100 -6.447 1.00 0.64 C ATOM 241 CG LYS A 16 -6.461 10.271 -7.176 1.00 1.62 C ATOM 242 CD LYS A 16 -6.736 11.759 -7.398 1.00 1.08 C ATOM 243 CE LYS A 16 -7.204 12.393 -6.087 1.00 1.08 C ATOM 244 NZ LYS A 16 -7.949 13.649 -6.381 1.00 1.51 N ATOM 0 H LYS A 16 -6.429 8.341 -5.272 1.00 0.41 H new ATOM 0 HA LYS A 16 -4.661 8.294 -7.535 1.00 0.50 H new ATOM 0 HB2 LYS A 16 -5.220 10.426 -5.411 1.00 0.64 H new ATOM 0 HB3 LYS A 16 -4.363 10.725 -6.910 1.00 0.64 H new ATOM 0 HG2 LYS A 16 -6.434 9.749 -8.132 1.00 1.62 H new ATOM 0 HG3 LYS A 16 -7.266 9.825 -6.592 1.00 1.62 H new ATOM 0 HD2 LYS A 16 -5.834 12.257 -7.753 1.00 1.08 H new ATOM 0 HD3 LYS A 16 -7.496 11.888 -8.168 1.00 1.08 H new ATOM 0 HE2 LYS A 16 -7.843 11.698 -5.542 1.00 1.08 H new ATOM 0 HE3 LYS A 16 -6.347 12.607 -5.448 1.00 1.08 H new ATOM 0 HZ1 LYS A 16 -8.267 14.080 -5.490 1.00 1.51 H new ATOM 0 HZ2 LYS A 16 -7.326 14.313 -6.884 1.00 1.51 H new ATOM 0 HZ3 LYS A 16 -8.775 13.432 -6.975 1.00 1.51 H new ATOM 258 N THR A 17 -3.250 8.383 -4.571 1.00 0.43 N ATOM 259 CA THR A 17 -1.924 8.242 -3.904 1.00 0.45 C ATOM 260 C THR A 17 -1.317 6.865 -4.213 1.00 0.35 C ATOM 261 O THR A 17 -0.158 6.756 -4.564 1.00 0.57 O ATOM 262 CB THR A 17 -2.095 8.402 -2.392 1.00 0.45 C ATOM 263 OG1 THR A 17 -2.869 9.562 -2.127 1.00 0.50 O ATOM 264 CG2 THR A 17 -0.723 8.542 -1.732 1.00 0.49 C ATOM 0 H THR A 17 -4.053 8.399 -3.942 1.00 0.43 H new ATOM 0 HA THR A 17 -1.253 9.014 -4.280 1.00 0.45 H new ATOM 0 HB THR A 17 -2.601 7.525 -1.989 1.00 0.45 H new ATOM 0 HG1 THR A 17 -3.821 9.333 -2.154 1.00 0.50 H new ATOM 0 HG21 THR A 17 -0.847 8.656 -0.655 1.00 0.49 H new ATOM 0 HG22 THR A 17 -0.128 7.652 -1.937 1.00 0.49 H new ATOM 0 HG23 THR A 17 -0.214 9.418 -2.133 1.00 0.49 H new ATOM 272 N LEU A 18 -2.083 5.814 -4.087 1.00 0.12 N ATOM 273 CA LEU A 18 -1.531 4.457 -4.376 1.00 0.22 C ATOM 274 C LEU A 18 -0.973 4.444 -5.803 1.00 0.13 C ATOM 275 O LEU A 18 0.098 3.931 -6.059 1.00 0.23 O ATOM 276 CB LEU A 18 -2.633 3.393 -4.237 1.00 0.53 C ATOM 277 CG LEU A 18 -2.070 1.994 -4.561 1.00 0.53 C ATOM 278 CD1 LEU A 18 -0.667 1.833 -3.971 1.00 2.01 C ATOM 279 CD2 LEU A 18 -2.974 0.917 -3.959 1.00 1.14 C ATOM 0 H LEU A 18 -3.061 5.835 -3.798 1.00 0.12 H new ATOM 0 HA LEU A 18 -0.738 4.228 -3.665 1.00 0.22 H new ATOM 0 HB2 LEU A 18 -3.034 3.405 -3.224 1.00 0.53 H new ATOM 0 HB3 LEU A 18 -3.459 3.625 -4.910 1.00 0.53 H new ATOM 0 HG LEU A 18 -2.027 1.887 -5.645 1.00 0.53 H new ATOM 0 HD11 LEU A 18 -0.284 0.841 -4.209 1.00 2.01 H new ATOM 0 HD12 LEU A 18 -0.005 2.588 -4.395 1.00 2.01 H new ATOM 0 HD13 LEU A 18 -0.711 1.955 -2.889 1.00 2.01 H new ATOM 0 HD21 LEU A 18 -2.570 -0.068 -4.192 1.00 1.14 H new ATOM 0 HD22 LEU A 18 -3.021 1.044 -2.877 1.00 1.14 H new ATOM 0 HD23 LEU A 18 -3.976 1.007 -4.378 1.00 1.14 H new ATOM 291 N ASN A 19 -1.690 5.012 -6.733 1.00 0.37 N ATOM 292 CA ASN A 19 -1.203 5.038 -8.140 1.00 0.59 C ATOM 293 C ASN A 19 0.101 5.837 -8.219 1.00 0.68 C ATOM 294 O ASN A 19 0.967 5.553 -9.023 1.00 0.79 O ATOM 295 CB ASN A 19 -2.255 5.695 -9.034 1.00 0.81 C ATOM 296 CG ASN A 19 -1.604 6.145 -10.343 1.00 0.56 C ATOM 297 OD1 ASN A 19 -0.952 5.366 -11.009 1.00 0.78 O ATOM 298 ND2 ASN A 19 -1.753 7.378 -10.743 1.00 1.53 N ATOM 0 H ASN A 19 -2.593 5.460 -6.579 1.00 0.37 H new ATOM 0 HA ASN A 19 -1.024 4.017 -8.477 1.00 0.59 H new ATOM 0 HB2 ASN A 19 -3.062 4.992 -9.240 1.00 0.81 H new ATOM 0 HB3 ASN A 19 -2.699 6.550 -8.524 1.00 0.81 H new ATOM 0 HD21 ASN A 19 -1.322 7.687 -11.614 1.00 1.53 H new ATOM 0 HD22 ASN A 19 -2.300 8.033 -10.184 1.00 1.53 H new ATOM 305 N SER A 20 0.246 6.840 -7.397 1.00 0.69 N ATOM 306 CA SER A 20 1.490 7.661 -7.431 1.00 0.88 C ATOM 307 C SER A 20 2.697 6.805 -7.032 1.00 0.88 C ATOM 308 O SER A 20 3.780 6.970 -7.555 1.00 1.05 O ATOM 309 CB SER A 20 1.353 8.833 -6.456 1.00 0.91 C ATOM 310 OG SER A 20 1.614 10.048 -7.146 1.00 1.44 O ATOM 0 H SER A 20 -0.444 7.127 -6.703 1.00 0.69 H new ATOM 0 HA SER A 20 1.640 8.039 -8.442 1.00 0.88 H new ATOM 0 HB2 SER A 20 0.350 8.851 -6.029 1.00 0.91 H new ATOM 0 HB3 SER A 20 2.050 8.715 -5.626 1.00 0.91 H new ATOM 0 HG SER A 20 1.526 10.802 -6.526 1.00 1.44 H new ATOM 316 N LEU A 21 2.524 5.897 -6.111 1.00 0.72 N ATOM 317 CA LEU A 21 3.673 5.042 -5.689 1.00 0.79 C ATOM 318 C LEU A 21 4.117 4.149 -6.856 1.00 0.82 C ATOM 319 O LEU A 21 5.247 3.705 -6.909 1.00 1.00 O ATOM 320 CB LEU A 21 3.255 4.163 -4.507 1.00 0.70 C ATOM 321 CG LEU A 21 3.704 4.817 -3.200 1.00 0.76 C ATOM 322 CD1 LEU A 21 2.569 4.746 -2.176 1.00 0.56 C ATOM 323 CD2 LEU A 21 4.929 4.076 -2.657 1.00 1.14 C ATOM 0 H LEU A 21 1.642 5.710 -5.634 1.00 0.72 H new ATOM 0 HA LEU A 21 4.502 5.684 -5.391 1.00 0.79 H new ATOM 0 HB2 LEU A 21 2.173 4.028 -4.505 1.00 0.70 H new ATOM 0 HB3 LEU A 21 3.700 3.172 -4.602 1.00 0.70 H new ATOM 0 HG LEU A 21 3.960 5.860 -3.384 1.00 0.76 H new ATOM 0 HD11 LEU A 21 2.890 5.212 -1.244 1.00 0.56 H new ATOM 0 HD12 LEU A 21 1.696 5.272 -2.563 1.00 0.56 H new ATOM 0 HD13 LEU A 21 2.312 3.703 -1.990 1.00 0.56 H new ATOM 0 HD21 LEU A 21 5.251 4.540 -1.725 1.00 1.14 H new ATOM 0 HD22 LEU A 21 4.671 3.033 -2.473 1.00 1.14 H new ATOM 0 HD23 LEU A 21 5.738 4.127 -3.386 1.00 1.14 H new ATOM 335 N THR A 22 3.239 3.874 -7.784 1.00 0.68 N ATOM 336 CA THR A 22 3.616 3.003 -8.936 1.00 0.72 C ATOM 337 C THR A 22 4.802 3.610 -9.699 1.00 0.54 C ATOM 338 O THR A 22 5.533 2.916 -10.376 1.00 0.28 O ATOM 339 CB THR A 22 2.422 2.870 -9.884 1.00 0.89 C ATOM 340 OG1 THR A 22 1.244 2.627 -9.126 1.00 0.76 O ATOM 341 CG2 THR A 22 2.662 1.708 -10.848 1.00 1.22 C ATOM 0 H THR A 22 2.278 4.215 -7.794 1.00 0.68 H new ATOM 0 HA THR A 22 3.902 2.022 -8.557 1.00 0.72 H new ATOM 0 HB THR A 22 2.303 3.792 -10.454 1.00 0.89 H new ATOM 0 HG1 THR A 22 1.121 1.661 -9.013 1.00 0.76 H new ATOM 0 HG21 THR A 22 1.811 1.614 -11.523 1.00 1.22 H new ATOM 0 HG22 THR A 22 3.566 1.897 -11.427 1.00 1.22 H new ATOM 0 HG23 THR A 22 2.780 0.784 -10.282 1.00 1.22 H new ATOM 349 N GLU A 23 4.993 4.896 -9.607 1.00 0.75 N ATOM 350 CA GLU A 23 6.126 5.533 -10.339 1.00 0.59 C ATOM 351 C GLU A 23 7.448 4.872 -9.937 1.00 0.41 C ATOM 352 O GLU A 23 8.230 4.464 -10.773 1.00 0.26 O ATOM 353 CB GLU A 23 6.178 7.023 -9.996 1.00 0.69 C ATOM 354 CG GLU A 23 7.415 7.651 -10.645 1.00 0.78 C ATOM 355 CD GLU A 23 7.114 9.104 -11.019 1.00 1.21 C ATOM 356 OE1 GLU A 23 6.130 9.328 -11.705 1.00 1.70 O ATOM 357 OE2 GLU A 23 7.875 9.968 -10.614 1.00 2.03 O ATOM 0 H GLU A 23 4.416 5.533 -9.058 1.00 0.75 H new ATOM 0 HA GLU A 23 5.975 5.406 -11.411 1.00 0.59 H new ATOM 0 HB2 GLU A 23 5.275 7.521 -10.350 1.00 0.69 H new ATOM 0 HB3 GLU A 23 6.213 7.158 -8.915 1.00 0.69 H new ATOM 0 HG2 GLU A 23 8.260 7.609 -9.958 1.00 0.78 H new ATOM 0 HG3 GLU A 23 7.698 7.087 -11.534 1.00 0.78 H new ATOM 364 N GLN A 24 7.706 4.771 -8.664 1.00 0.66 N ATOM 365 CA GLN A 24 8.980 4.144 -8.205 1.00 0.71 C ATOM 366 C GLN A 24 8.743 2.669 -7.889 1.00 0.62 C ATOM 367 O GLN A 24 9.093 2.187 -6.829 1.00 0.57 O ATOM 368 CB GLN A 24 9.470 4.855 -6.946 1.00 0.91 C ATOM 369 CG GLN A 24 10.916 4.445 -6.656 1.00 0.85 C ATOM 370 CD GLN A 24 11.844 5.640 -6.882 1.00 0.82 C ATOM 371 OE1 GLN A 24 12.187 6.343 -5.953 1.00 1.89 O ATOM 372 NE2 GLN A 24 12.271 5.900 -8.088 1.00 1.12 N ATOM 0 H GLN A 24 7.090 5.096 -7.919 1.00 0.66 H new ATOM 0 HA GLN A 24 9.728 4.231 -8.993 1.00 0.71 H new ATOM 0 HB2 GLN A 24 9.407 5.935 -7.078 1.00 0.91 H new ATOM 0 HB3 GLN A 24 8.832 4.599 -6.100 1.00 0.91 H new ATOM 0 HG2 GLN A 24 11.005 4.092 -5.629 1.00 0.85 H new ATOM 0 HG3 GLN A 24 11.207 3.618 -7.304 1.00 0.85 H new ATOM 0 HE21 GLN A 24 11.984 5.310 -8.869 1.00 1.12 H new ATOM 0 HE22 GLN A 24 12.892 6.693 -8.249 1.00 1.12 H new ATOM 381 N LYS A 25 8.155 1.944 -8.798 1.00 0.61 N ATOM 382 CA LYS A 25 7.904 0.500 -8.542 1.00 0.53 C ATOM 383 C LYS A 25 8.844 -0.342 -9.410 1.00 0.61 C ATOM 384 O LYS A 25 8.445 -0.922 -10.402 1.00 0.84 O ATOM 385 CB LYS A 25 6.445 0.160 -8.865 1.00 0.47 C ATOM 386 CG LYS A 25 5.723 -0.257 -7.582 1.00 1.64 C ATOM 387 CD LYS A 25 5.830 0.862 -6.545 1.00 3.03 C ATOM 388 CE LYS A 25 6.567 0.341 -5.309 1.00 4.29 C ATOM 389 NZ LYS A 25 6.703 1.438 -4.309 1.00 5.75 N ATOM 0 H LYS A 25 7.838 2.288 -9.705 1.00 0.61 H new ATOM 0 HA LYS A 25 8.092 0.280 -7.491 1.00 0.53 H new ATOM 0 HB2 LYS A 25 5.949 1.023 -9.310 1.00 0.47 H new ATOM 0 HB3 LYS A 25 6.402 -0.646 -9.598 1.00 0.47 H new ATOM 0 HG2 LYS A 25 4.675 -0.470 -7.795 1.00 1.64 H new ATOM 0 HG3 LYS A 25 6.161 -1.174 -7.188 1.00 1.64 H new ATOM 0 HD2 LYS A 25 6.362 1.714 -6.967 1.00 3.03 H new ATOM 0 HD3 LYS A 25 4.836 1.213 -6.268 1.00 3.03 H new ATOM 0 HE2 LYS A 25 6.021 -0.496 -4.874 1.00 4.29 H new ATOM 0 HE3 LYS A 25 7.552 -0.032 -5.591 1.00 4.29 H new ATOM 0 HZ1 LYS A 25 7.491 1.224 -3.664 1.00 5.75 H new ATOM 0 HZ2 LYS A 25 6.892 2.335 -4.801 1.00 5.75 H new ATOM 0 HZ3 LYS A 25 5.822 1.521 -3.763 1.00 5.75 H new ATOM 403 N THR A 26 10.094 -0.411 -9.043 1.00 0.51 N ATOM 404 CA THR A 26 11.069 -1.213 -9.836 1.00 0.60 C ATOM 405 C THR A 26 12.286 -1.513 -8.963 1.00 0.56 C ATOM 406 O THR A 26 12.660 -2.653 -8.769 1.00 0.53 O ATOM 407 CB THR A 26 11.508 -0.420 -11.069 1.00 0.76 C ATOM 408 OG1 THR A 26 10.385 -0.189 -11.909 1.00 0.91 O ATOM 409 CG2 THR A 26 12.568 -1.212 -11.837 1.00 1.28 C ATOM 0 H THR A 26 10.484 0.056 -8.224 1.00 0.51 H new ATOM 0 HA THR A 26 10.604 -2.144 -10.159 1.00 0.60 H new ATOM 0 HB THR A 26 11.928 0.535 -10.755 1.00 0.76 H new ATOM 0 HG1 THR A 26 9.642 -0.762 -11.626 1.00 0.91 H new ATOM 0 HG21 THR A 26 12.880 -0.646 -12.715 1.00 1.28 H new ATOM 0 HG22 THR A 26 13.430 -1.386 -11.193 1.00 1.28 H new ATOM 0 HG23 THR A 26 12.151 -2.169 -12.151 1.00 1.28 H new ATOM 417 N LEU A 27 12.900 -0.495 -8.426 1.00 0.57 N ATOM 418 CA LEU A 27 14.087 -0.713 -7.554 1.00 0.57 C ATOM 419 C LEU A 27 13.615 -0.966 -6.123 1.00 0.61 C ATOM 420 O LEU A 27 14.088 -1.860 -5.452 1.00 0.62 O ATOM 421 CB LEU A 27 14.973 0.535 -7.589 1.00 0.57 C ATOM 422 CG LEU A 27 16.404 0.159 -7.203 1.00 0.93 C ATOM 423 CD1 LEU A 27 17.386 1.124 -7.875 1.00 1.67 C ATOM 424 CD2 LEU A 27 16.560 0.253 -5.684 1.00 1.84 C ATOM 0 H LEU A 27 12.630 0.480 -8.554 1.00 0.57 H new ATOM 0 HA LEU A 27 14.656 -1.572 -7.908 1.00 0.57 H new ATOM 0 HB2 LEU A 27 14.958 0.976 -8.586 1.00 0.57 H new ATOM 0 HB3 LEU A 27 14.586 1.287 -6.902 1.00 0.57 H new ATOM 0 HG LEU A 27 16.614 -0.859 -7.531 1.00 0.93 H new ATOM 0 HD11 LEU A 27 18.406 0.856 -7.600 1.00 1.67 H new ATOM 0 HD12 LEU A 27 17.274 1.062 -8.957 1.00 1.67 H new ATOM 0 HD13 LEU A 27 17.178 2.142 -7.547 1.00 1.67 H new ATOM 0 HD21 LEU A 27 17.579 -0.015 -5.406 1.00 1.84 H new ATOM 0 HD22 LEU A 27 16.351 1.272 -5.359 1.00 1.84 H new ATOM 0 HD23 LEU A 27 15.861 -0.432 -5.203 1.00 1.84 H new ATOM 436 N CYS A 28 12.675 -0.195 -5.656 1.00 0.66 N ATOM 437 CA CYS A 28 12.166 -0.407 -4.272 1.00 0.73 C ATOM 438 C CYS A 28 11.234 -1.626 -4.241 1.00 0.64 C ATOM 439 O CYS A 28 10.841 -2.085 -3.186 1.00 0.81 O ATOM 440 CB CYS A 28 11.412 0.839 -3.805 1.00 0.78 C ATOM 441 SG CYS A 28 12.082 1.392 -2.214 1.00 0.98 S ATOM 0 H CYS A 28 12.238 0.570 -6.170 1.00 0.66 H new ATOM 0 HA CYS A 28 13.007 -0.587 -3.603 1.00 0.73 H new ATOM 0 HB2 CYS A 28 11.506 1.633 -4.546 1.00 0.78 H new ATOM 0 HB3 CYS A 28 10.349 0.618 -3.707 1.00 0.78 H new ATOM 446 N THR A 29 10.891 -2.173 -5.383 1.00 0.42 N ATOM 447 CA THR A 29 10.010 -3.374 -5.399 1.00 0.37 C ATOM 448 C THR A 29 10.864 -4.645 -5.311 1.00 0.45 C ATOM 449 O THR A 29 10.375 -5.742 -5.494 1.00 0.46 O ATOM 450 CB THR A 29 9.206 -3.390 -6.696 1.00 0.46 C ATOM 451 OG1 THR A 29 10.084 -3.587 -7.796 1.00 0.57 O ATOM 452 CG2 THR A 29 8.486 -2.054 -6.846 1.00 0.88 C ATOM 0 H THR A 29 11.184 -1.838 -6.300 1.00 0.42 H new ATOM 0 HA THR A 29 9.332 -3.338 -4.546 1.00 0.37 H new ATOM 0 HB THR A 29 8.477 -4.200 -6.672 1.00 0.46 H new ATOM 0 HG1 THR A 29 9.568 -3.599 -8.629 1.00 0.57 H new ATOM 0 HG21 THR A 29 7.908 -2.054 -7.770 1.00 0.88 H new ATOM 0 HG22 THR A 29 7.816 -1.904 -5.999 1.00 0.88 H new ATOM 0 HG23 THR A 29 9.218 -1.247 -6.876 1.00 0.88 H new ATOM 460 N GLU A 30 12.136 -4.512 -5.025 1.00 0.67 N ATOM 461 CA GLU A 30 13.015 -5.708 -4.919 1.00 0.92 C ATOM 462 C GLU A 30 13.043 -6.188 -3.460 1.00 1.08 C ATOM 463 O GLU A 30 14.077 -6.540 -2.929 1.00 1.51 O ATOM 464 CB GLU A 30 14.428 -5.324 -5.373 1.00 1.11 C ATOM 465 CG GLU A 30 15.035 -4.326 -4.382 1.00 2.50 C ATOM 466 CD GLU A 30 16.183 -3.573 -5.057 1.00 3.14 C ATOM 467 OE1 GLU A 30 16.134 -3.418 -6.267 1.00 3.23 O ATOM 468 OE2 GLU A 30 17.090 -3.161 -4.353 1.00 3.93 O ATOM 0 H GLU A 30 12.602 -3.620 -4.860 1.00 0.67 H new ATOM 0 HA GLU A 30 12.636 -6.512 -5.550 1.00 0.92 H new ATOM 0 HB2 GLU A 30 15.054 -6.214 -5.437 1.00 1.11 H new ATOM 0 HB3 GLU A 30 14.393 -4.886 -6.370 1.00 1.11 H new ATOM 0 HG2 GLU A 30 14.273 -3.623 -4.044 1.00 2.50 H new ATOM 0 HG3 GLU A 30 15.399 -4.850 -3.498 1.00 2.50 H new ATOM 475 N LEU A 31 11.905 -6.213 -2.813 1.00 0.82 N ATOM 476 CA LEU A 31 11.834 -6.672 -1.400 1.00 1.05 C ATOM 477 C LEU A 31 10.643 -7.619 -1.275 1.00 0.98 C ATOM 478 O LEU A 31 9.525 -7.193 -1.062 1.00 1.63 O ATOM 479 CB LEU A 31 11.618 -5.476 -0.459 1.00 1.19 C ATOM 480 CG LEU A 31 12.704 -4.418 -0.676 1.00 1.15 C ATOM 481 CD1 LEU A 31 12.049 -3.046 -0.857 1.00 1.62 C ATOM 482 CD2 LEU A 31 13.624 -4.376 0.547 1.00 1.65 C ATOM 0 H LEU A 31 11.011 -5.930 -3.214 1.00 0.82 H new ATOM 0 HA LEU A 31 12.765 -7.169 -1.127 1.00 1.05 H new ATOM 0 HB2 LEU A 31 10.636 -5.039 -0.637 1.00 1.19 H new ATOM 0 HB3 LEU A 31 11.633 -5.814 0.577 1.00 1.19 H new ATOM 0 HG LEU A 31 13.283 -4.670 -1.565 1.00 1.15 H new ATOM 0 HD11 LEU A 31 12.821 -2.292 -1.012 1.00 1.62 H new ATOM 0 HD12 LEU A 31 11.387 -3.070 -1.723 1.00 1.62 H new ATOM 0 HD13 LEU A 31 11.472 -2.798 0.034 1.00 1.62 H new ATOM 0 HD21 LEU A 31 14.398 -3.624 0.395 1.00 1.65 H new ATOM 0 HD22 LEU A 31 13.041 -4.123 1.432 1.00 1.65 H new ATOM 0 HD23 LEU A 31 14.089 -5.352 0.686 1.00 1.65 H new ATOM 494 N THR A 32 10.879 -8.894 -1.435 1.00 0.37 N ATOM 495 CA THR A 32 9.773 -9.902 -1.352 1.00 0.34 C ATOM 496 C THR A 32 8.871 -9.613 -0.146 1.00 0.26 C ATOM 497 O THR A 32 9.329 -9.209 0.905 1.00 0.33 O ATOM 498 CB THR A 32 10.378 -11.301 -1.216 1.00 0.42 C ATOM 499 OG1 THR A 32 11.460 -11.261 -0.297 1.00 0.45 O ATOM 500 CG2 THR A 32 10.883 -11.774 -2.580 1.00 0.63 C ATOM 0 H THR A 32 11.801 -9.288 -1.622 1.00 0.37 H new ATOM 0 HA THR A 32 9.170 -9.843 -2.258 1.00 0.34 H new ATOM 0 HB THR A 32 9.618 -11.992 -0.852 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.847 -12.157 -0.208 1.00 0.45 H new ATOM 0 HG21 THR A 32 11.314 -12.770 -2.483 1.00 0.63 H new ATOM 0 HG22 THR A 32 10.052 -11.805 -3.285 1.00 0.63 H new ATOM 0 HG23 THR A 32 11.643 -11.084 -2.946 1.00 0.63 H new ATOM 508 N VAL A 33 7.589 -9.812 -0.300 1.00 0.14 N ATOM 509 CA VAL A 33 6.642 -9.548 0.821 1.00 0.10 C ATOM 510 C VAL A 33 5.550 -10.613 0.798 1.00 0.17 C ATOM 511 O VAL A 33 5.487 -11.421 -0.101 1.00 0.62 O ATOM 512 CB VAL A 33 6.002 -8.167 0.642 1.00 0.09 C ATOM 513 CG1 VAL A 33 7.088 -7.091 0.668 1.00 0.20 C ATOM 514 CG2 VAL A 33 5.268 -8.115 -0.702 1.00 0.12 C ATOM 0 H VAL A 33 7.155 -10.148 -1.160 1.00 0.14 H new ATOM 0 HA VAL A 33 7.177 -9.576 1.770 1.00 0.10 H new ATOM 0 HB VAL A 33 5.295 -7.989 1.452 1.00 0.09 H new ATOM 0 HG11 VAL A 33 6.631 -6.110 0.541 1.00 0.20 H new ATOM 0 HG12 VAL A 33 7.612 -7.126 1.623 1.00 0.20 H new ATOM 0 HG13 VAL A 33 7.796 -7.269 -0.141 1.00 0.20 H new ATOM 0 HG21 VAL A 33 4.812 -7.133 -0.830 1.00 0.12 H new ATOM 0 HG22 VAL A 33 5.976 -8.295 -1.511 1.00 0.12 H new ATOM 0 HG23 VAL A 33 4.492 -8.880 -0.723 1.00 0.12 H new ATOM 524 N THR A 34 4.688 -10.623 1.773 1.00 0.42 N ATOM 525 CA THR A 34 3.606 -11.645 1.786 1.00 0.35 C ATOM 526 C THR A 34 2.658 -11.398 0.608 1.00 0.39 C ATOM 527 O THR A 34 2.545 -10.295 0.110 1.00 0.60 O ATOM 528 CB THR A 34 2.834 -11.545 3.110 1.00 0.26 C ATOM 529 OG1 THR A 34 2.814 -12.820 3.737 1.00 0.43 O ATOM 530 CG2 THR A 34 1.398 -11.076 2.856 1.00 0.21 C ATOM 0 H THR A 34 4.684 -9.972 2.558 1.00 0.42 H new ATOM 0 HA THR A 34 4.037 -12.642 1.694 1.00 0.35 H new ATOM 0 HB THR A 34 3.329 -10.821 3.757 1.00 0.26 H new ATOM 0 HG1 THR A 34 2.324 -12.761 4.583 1.00 0.43 H new ATOM 0 HG21 THR A 34 0.864 -11.010 3.804 1.00 0.21 H new ATOM 0 HG22 THR A 34 1.414 -10.096 2.380 1.00 0.21 H new ATOM 0 HG23 THR A 34 0.893 -11.788 2.203 1.00 0.21 H new ATOM 538 N ASP A 35 1.971 -12.415 0.164 1.00 0.29 N ATOM 539 CA ASP A 35 1.024 -12.242 -0.976 1.00 0.33 C ATOM 540 C ASP A 35 -0.412 -12.309 -0.447 1.00 0.27 C ATOM 541 O ASP A 35 -1.067 -13.329 -0.522 1.00 0.74 O ATOM 542 CB ASP A 35 1.247 -13.361 -1.997 1.00 0.41 C ATOM 543 CG ASP A 35 0.510 -13.021 -3.294 1.00 0.30 C ATOM 544 OD1 ASP A 35 -0.017 -11.925 -3.382 1.00 0.64 O ATOM 545 OD2 ASP A 35 0.484 -13.863 -4.177 1.00 0.96 O ATOM 0 H ASP A 35 2.024 -13.361 0.542 1.00 0.29 H new ATOM 0 HA ASP A 35 1.194 -11.278 -1.455 1.00 0.33 H new ATOM 0 HB2 ASP A 35 2.312 -13.483 -2.193 1.00 0.41 H new ATOM 0 HB3 ASP A 35 0.886 -14.309 -1.598 1.00 0.41 H new ATOM 550 N ILE A 36 -0.902 -11.224 0.092 1.00 0.65 N ATOM 551 CA ILE A 36 -2.291 -11.214 0.641 1.00 0.54 C ATOM 552 C ILE A 36 -3.327 -11.451 -0.468 1.00 0.56 C ATOM 553 O ILE A 36 -4.482 -11.707 -0.191 1.00 0.69 O ATOM 554 CB ILE A 36 -2.560 -9.862 1.310 1.00 0.44 C ATOM 555 CG1 ILE A 36 -2.586 -8.758 0.248 1.00 0.79 C ATOM 556 CG2 ILE A 36 -1.453 -9.564 2.324 1.00 0.55 C ATOM 557 CD1 ILE A 36 -2.848 -7.408 0.921 1.00 0.49 C ATOM 0 H ILE A 36 -0.399 -10.341 0.176 1.00 0.65 H new ATOM 0 HA ILE A 36 -2.380 -12.019 1.370 1.00 0.54 H new ATOM 0 HB ILE A 36 -3.523 -9.898 1.820 1.00 0.44 H new ATOM 0 HG12 ILE A 36 -1.637 -8.731 -0.287 1.00 0.79 H new ATOM 0 HG13 ILE A 36 -3.362 -8.966 -0.489 1.00 0.79 H new ATOM 0 HG21 ILE A 36 -1.645 -8.602 2.800 1.00 0.55 H new ATOM 0 HG22 ILE A 36 -1.434 -10.347 3.082 1.00 0.55 H new ATOM 0 HG23 ILE A 36 -0.491 -9.531 1.813 1.00 0.55 H new ATOM 0 HD11 ILE A 36 -2.867 -6.622 0.166 1.00 0.49 H new ATOM 0 HD12 ILE A 36 -3.808 -7.439 1.436 1.00 0.49 H new ATOM 0 HD13 ILE A 36 -2.056 -7.201 1.641 1.00 0.49 H new ATOM 569 N PHE A 37 -2.946 -11.374 -1.717 1.00 0.71 N ATOM 570 CA PHE A 37 -3.942 -11.603 -2.803 1.00 0.71 C ATOM 571 C PHE A 37 -3.840 -13.051 -3.294 1.00 0.84 C ATOM 572 O PHE A 37 -4.000 -13.331 -4.465 1.00 1.01 O ATOM 573 CB PHE A 37 -3.662 -10.651 -3.968 1.00 0.72 C ATOM 574 CG PHE A 37 -3.591 -9.232 -3.458 1.00 0.74 C ATOM 575 CD1 PHE A 37 -4.756 -8.578 -3.038 1.00 0.73 C ATOM 576 CD2 PHE A 37 -2.359 -8.567 -3.409 1.00 0.79 C ATOM 577 CE1 PHE A 37 -4.690 -7.261 -2.568 1.00 0.77 C ATOM 578 CE2 PHE A 37 -2.293 -7.249 -2.939 1.00 0.81 C ATOM 579 CZ PHE A 37 -3.459 -6.596 -2.518 1.00 0.81 C ATOM 0 H PHE A 37 -1.998 -11.165 -2.029 1.00 0.71 H new ATOM 0 HA PHE A 37 -4.944 -11.418 -2.417 1.00 0.71 H new ATOM 0 HB2 PHE A 37 -2.724 -10.921 -4.454 1.00 0.72 H new ATOM 0 HB3 PHE A 37 -4.447 -10.739 -4.719 1.00 0.72 H new ATOM 0 HD1 PHE A 37 -5.706 -9.090 -3.077 1.00 0.73 H new ATOM 0 HD2 PHE A 37 -1.460 -9.070 -3.734 1.00 0.79 H new ATOM 0 HE1 PHE A 37 -5.589 -6.758 -2.244 1.00 0.77 H new ATOM 0 HE2 PHE A 37 -1.343 -6.736 -2.901 1.00 0.81 H new ATOM 0 HZ PHE A 37 -3.408 -5.580 -2.155 1.00 0.81 H new ATOM 589 N ALA A 38 -3.571 -13.971 -2.408 1.00 0.77 N ATOM 590 CA ALA A 38 -3.454 -15.398 -2.827 1.00 0.89 C ATOM 591 C ALA A 38 -4.546 -16.237 -2.150 1.00 1.06 C ATOM 592 O ALA A 38 -4.970 -17.251 -2.671 1.00 1.06 O ATOM 593 CB ALA A 38 -2.078 -15.932 -2.423 1.00 1.22 C ATOM 0 H ALA A 38 -3.427 -13.797 -1.413 1.00 0.77 H new ATOM 0 HA ALA A 38 -3.574 -15.465 -3.908 1.00 0.89 H new ATOM 0 HB1 ALA A 38 -1.989 -16.975 -2.728 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -1.301 -15.343 -2.912 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -1.962 -15.859 -1.342 1.00 1.22 H new ATOM 599 N ALA A 39 -5.002 -15.831 -0.996 1.00 1.26 N ATOM 600 CA ALA A 39 -6.064 -16.613 -0.296 1.00 1.54 C ATOM 601 C ALA A 39 -7.223 -15.685 0.077 1.00 1.34 C ATOM 602 O ALA A 39 -7.555 -15.529 1.235 1.00 1.38 O ATOM 603 CB ALA A 39 -5.483 -17.236 0.976 1.00 1.90 C ATOM 0 H ALA A 39 -4.686 -14.993 -0.507 1.00 1.26 H new ATOM 0 HA ALA A 39 -6.428 -17.401 -0.956 1.00 1.54 H new ATOM 0 HB1 ALA A 39 -6.257 -17.807 1.488 1.00 1.90 H new ATOM 0 HB2 ALA A 39 -4.658 -17.898 0.713 1.00 1.90 H new ATOM 0 HB3 ALA A 39 -5.119 -16.447 1.634 1.00 1.90 H new ATOM 609 N SER A 40 -7.841 -15.070 -0.893 1.00 1.34 N ATOM 610 CA SER A 40 -8.977 -14.154 -0.589 1.00 1.17 C ATOM 611 C SER A 40 -10.159 -14.480 -1.504 1.00 1.42 C ATOM 612 O SER A 40 -10.022 -14.555 -2.708 1.00 2.12 O ATOM 613 CB SER A 40 -8.539 -12.706 -0.817 1.00 1.64 C ATOM 614 OG SER A 40 -8.038 -12.172 0.402 1.00 2.69 O ATOM 0 H SER A 40 -7.609 -15.162 -1.882 1.00 1.34 H new ATOM 0 HA SER A 40 -9.278 -14.284 0.450 1.00 1.17 H new ATOM 0 HB2 SER A 40 -7.771 -12.663 -1.590 1.00 1.64 H new ATOM 0 HB3 SER A 40 -9.381 -12.110 -1.170 1.00 1.64 H new ATOM 0 HG SER A 40 -7.754 -11.245 0.261 1.00 2.69 H new ATOM 620 N LYS A 41 -11.321 -14.674 -0.940 1.00 1.16 N ATOM 621 CA LYS A 41 -12.513 -14.993 -1.776 1.00 1.87 C ATOM 622 C LYS A 41 -13.705 -14.122 -1.354 1.00 2.02 C ATOM 623 O LYS A 41 -14.824 -14.356 -1.767 1.00 2.02 O ATOM 624 CB LYS A 41 -12.876 -16.469 -1.594 1.00 2.01 C ATOM 625 CG LYS A 41 -11.709 -17.344 -2.054 1.00 2.47 C ATOM 626 CD LYS A 41 -11.902 -18.771 -1.535 1.00 2.45 C ATOM 627 CE LYS A 41 -12.783 -19.554 -2.512 1.00 2.29 C ATOM 628 NZ LYS A 41 -14.167 -19.650 -1.968 1.00 1.41 N ATOM 0 H LYS A 41 -11.496 -14.625 0.064 1.00 1.16 H new ATOM 0 HA LYS A 41 -12.279 -14.793 -2.822 1.00 1.87 H new ATOM 0 HB2 LYS A 41 -13.105 -16.671 -0.548 1.00 2.01 H new ATOM 0 HB3 LYS A 41 -13.771 -16.707 -2.168 1.00 2.01 H new ATOM 0 HG2 LYS A 41 -11.650 -17.347 -3.142 1.00 2.47 H new ATOM 0 HG3 LYS A 41 -10.768 -16.936 -1.685 1.00 2.47 H new ATOM 0 HD2 LYS A 41 -10.936 -19.263 -1.425 1.00 2.45 H new ATOM 0 HD3 LYS A 41 -12.364 -18.751 -0.548 1.00 2.45 H new ATOM 0 HE2 LYS A 41 -12.796 -19.059 -3.483 1.00 2.29 H new ATOM 0 HE3 LYS A 41 -12.373 -20.552 -2.669 1.00 2.29 H new ATOM 0 HZ1 LYS A 41 -14.765 -20.182 -2.632 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 -14.146 -20.141 -1.051 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 -14.557 -18.694 -1.840 1.00 1.41 H new ATOM 642 N ASP A 42 -13.485 -13.119 -0.540 1.00 2.22 N ATOM 643 CA ASP A 42 -14.615 -12.250 -0.109 1.00 2.44 C ATOM 644 C ASP A 42 -14.088 -11.140 0.803 1.00 2.05 C ATOM 645 O ASP A 42 -14.612 -10.903 1.874 1.00 1.90 O ATOM 646 CB ASP A 42 -15.644 -13.089 0.653 1.00 2.61 C ATOM 647 CG ASP A 42 -14.920 -14.111 1.532 1.00 1.98 C ATOM 648 OD1 ASP A 42 -14.269 -13.696 2.476 1.00 2.31 O ATOM 649 OD2 ASP A 42 -15.031 -15.292 1.246 1.00 2.50 O ATOM 0 H ASP A 42 -12.573 -12.868 -0.158 1.00 2.22 H new ATOM 0 HA ASP A 42 -15.085 -11.807 -0.987 1.00 2.44 H new ATOM 0 HB2 ASP A 42 -16.271 -12.444 1.268 1.00 2.61 H new ATOM 0 HB3 ASP A 42 -16.304 -13.600 -0.048 1.00 2.61 H new ATOM 654 N THR A 43 -13.054 -10.459 0.392 1.00 1.93 N ATOM 655 CA THR A 43 -12.497 -9.369 1.241 1.00 1.56 C ATOM 656 C THR A 43 -13.054 -8.021 0.776 1.00 1.49 C ATOM 657 O THR A 43 -13.077 -7.720 -0.401 1.00 1.97 O ATOM 658 CB THR A 43 -10.971 -9.358 1.122 1.00 1.64 C ATOM 659 OG1 THR A 43 -10.603 -9.535 -0.239 1.00 2.04 O ATOM 660 CG2 THR A 43 -10.383 -10.491 1.962 1.00 1.61 C ATOM 0 H THR A 43 -12.571 -10.610 -0.494 1.00 1.93 H new ATOM 0 HA THR A 43 -12.780 -9.539 2.280 1.00 1.56 H new ATOM 0 HB THR A 43 -10.585 -8.404 1.483 1.00 1.64 H new ATOM 0 HG1 THR A 43 -9.979 -8.827 -0.504 1.00 2.04 H new ATOM 0 HG21 THR A 43 -9.296 -10.482 1.876 1.00 1.61 H new ATOM 0 HG22 THR A 43 -10.666 -10.354 3.006 1.00 1.61 H new ATOM 0 HG23 THR A 43 -10.767 -11.446 1.604 1.00 1.61 H new ATOM 668 N THR A 44 -13.502 -7.205 1.693 1.00 1.00 N ATOM 669 CA THR A 44 -14.054 -5.876 1.305 1.00 1.08 C ATOM 670 C THR A 44 -12.910 -4.863 1.214 1.00 0.98 C ATOM 671 O THR A 44 -11.756 -5.207 1.364 1.00 0.83 O ATOM 672 CB THR A 44 -15.064 -5.419 2.362 1.00 1.00 C ATOM 673 OG1 THR A 44 -14.486 -5.551 3.653 1.00 1.61 O ATOM 674 CG2 THR A 44 -16.325 -6.282 2.276 1.00 0.67 C ATOM 0 H THR A 44 -13.509 -7.402 2.694 1.00 1.00 H new ATOM 0 HA THR A 44 -14.551 -5.950 0.338 1.00 1.08 H new ATOM 0 HB THR A 44 -15.328 -4.377 2.185 1.00 1.00 H new ATOM 0 HG1 THR A 44 -15.130 -5.258 4.331 1.00 1.61 H new ATOM 0 HG21 THR A 44 -17.042 -5.955 3.029 1.00 0.67 H new ATOM 0 HG22 THR A 44 -16.768 -6.181 1.285 1.00 0.67 H new ATOM 0 HG23 THR A 44 -16.064 -7.326 2.452 1.00 0.67 H new ATOM 682 N GLU A 45 -13.214 -3.616 0.970 1.00 1.16 N ATOM 683 CA GLU A 45 -12.129 -2.595 0.873 1.00 1.08 C ATOM 684 C GLU A 45 -11.561 -2.313 2.267 1.00 0.88 C ATOM 685 O GLU A 45 -10.420 -1.931 2.414 1.00 0.97 O ATOM 686 CB GLU A 45 -12.687 -1.296 0.284 1.00 1.21 C ATOM 687 CG GLU A 45 -13.873 -0.818 1.127 1.00 0.96 C ATOM 688 CD GLU A 45 -15.040 -0.457 0.206 1.00 0.70 C ATOM 689 OE1 GLU A 45 -14.792 0.146 -0.824 1.00 1.38 O ATOM 690 OE2 GLU A 45 -16.163 -0.791 0.549 1.00 1.37 O ATOM 0 H GLU A 45 -14.161 -3.261 0.834 1.00 1.16 H new ATOM 0 HA GLU A 45 -11.340 -2.977 0.226 1.00 1.08 H new ATOM 0 HB2 GLU A 45 -11.911 -0.531 0.263 1.00 1.21 H new ATOM 0 HB3 GLU A 45 -13.002 -1.458 -0.747 1.00 1.21 H new ATOM 0 HG2 GLU A 45 -14.175 -1.599 1.825 1.00 0.96 H new ATOM 0 HG3 GLU A 45 -13.584 0.048 1.722 1.00 0.96 H new ATOM 697 N LYS A 46 -12.345 -2.492 3.291 1.00 0.64 N ATOM 698 CA LYS A 46 -11.842 -2.222 4.667 1.00 0.46 C ATOM 699 C LYS A 46 -10.869 -3.324 5.094 1.00 0.45 C ATOM 700 O LYS A 46 -9.778 -3.058 5.559 1.00 0.49 O ATOM 701 CB LYS A 46 -13.023 -2.187 5.638 1.00 0.28 C ATOM 702 CG LYS A 46 -14.139 -1.320 5.053 1.00 2.36 C ATOM 703 CD LYS A 46 -15.147 -0.977 6.151 1.00 2.42 C ATOM 704 CE LYS A 46 -16.065 0.148 5.670 1.00 4.06 C ATOM 705 NZ LYS A 46 -15.371 1.459 5.823 1.00 5.18 N ATOM 0 H LYS A 46 -13.312 -2.813 3.236 1.00 0.64 H new ATOM 0 HA LYS A 46 -11.324 -1.263 4.678 1.00 0.46 H new ATOM 0 HB2 LYS A 46 -13.390 -3.198 5.818 1.00 0.28 H new ATOM 0 HB3 LYS A 46 -12.704 -1.787 6.601 1.00 0.28 H new ATOM 0 HG2 LYS A 46 -13.721 -0.407 4.630 1.00 2.36 H new ATOM 0 HG3 LYS A 46 -14.637 -1.849 4.240 1.00 2.36 H new ATOM 0 HD2 LYS A 46 -15.737 -1.858 6.406 1.00 2.42 H new ATOM 0 HD3 LYS A 46 -14.624 -0.671 7.057 1.00 2.42 H new ATOM 0 HE2 LYS A 46 -16.337 -0.012 4.627 1.00 4.06 H new ATOM 0 HE3 LYS A 46 -16.991 0.146 6.244 1.00 4.06 H new ATOM 0 HZ1 LYS A 46 -15.945 2.088 6.420 1.00 5.18 H new ATOM 0 HZ2 LYS A 46 -14.443 1.311 6.268 1.00 5.18 H new ATOM 0 HZ3 LYS A 46 -15.240 1.894 4.887 1.00 5.18 H new ATOM 719 N GLU A 47 -11.260 -4.560 4.953 1.00 0.44 N ATOM 720 CA GLU A 47 -10.365 -5.678 5.365 1.00 0.44 C ATOM 721 C GLU A 47 -9.102 -5.690 4.498 1.00 0.48 C ATOM 722 O GLU A 47 -7.997 -5.664 5.000 1.00 0.60 O ATOM 723 CB GLU A 47 -11.106 -7.007 5.202 1.00 0.50 C ATOM 724 CG GLU A 47 -11.952 -7.278 6.448 1.00 0.87 C ATOM 725 CD GLU A 47 -12.903 -8.447 6.177 1.00 1.51 C ATOM 726 OE1 GLU A 47 -12.537 -9.312 5.399 1.00 2.10 O ATOM 727 OE2 GLU A 47 -13.979 -8.455 6.753 1.00 2.40 O ATOM 0 H GLU A 47 -12.161 -4.845 4.570 1.00 0.44 H new ATOM 0 HA GLU A 47 -10.079 -5.540 6.408 1.00 0.44 H new ATOM 0 HB2 GLU A 47 -11.743 -6.974 4.318 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -10.392 -7.817 5.051 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -11.306 -7.510 7.295 1.00 0.87 H new ATOM 0 HG3 GLU A 47 -12.521 -6.387 6.715 1.00 0.87 H new ATOM 734 N THR A 48 -9.254 -5.743 3.204 1.00 0.40 N ATOM 735 CA THR A 48 -8.059 -5.772 2.308 1.00 0.42 C ATOM 736 C THR A 48 -7.163 -4.556 2.570 1.00 0.39 C ATOM 737 O THR A 48 -5.956 -4.629 2.447 1.00 0.27 O ATOM 738 CB THR A 48 -8.521 -5.749 0.849 1.00 0.47 C ATOM 739 OG1 THR A 48 -9.001 -7.036 0.486 1.00 0.46 O ATOM 740 CG2 THR A 48 -7.346 -5.366 -0.052 1.00 0.83 C ATOM 0 H THR A 48 -10.154 -5.768 2.726 1.00 0.40 H new ATOM 0 HA THR A 48 -7.491 -6.681 2.508 1.00 0.42 H new ATOM 0 HB THR A 48 -9.320 -5.017 0.730 1.00 0.47 H new ATOM 0 HG1 THR A 48 -8.645 -7.705 1.107 1.00 0.46 H new ATOM 0 HG21 THR A 48 -7.675 -5.350 -1.091 1.00 0.83 H new ATOM 0 HG22 THR A 48 -6.979 -4.379 0.228 1.00 0.83 H new ATOM 0 HG23 THR A 48 -6.545 -6.097 0.064 1.00 0.83 H new ATOM 748 N PHE A 49 -7.739 -3.439 2.915 1.00 0.51 N ATOM 749 CA PHE A 49 -6.913 -2.220 3.167 1.00 0.50 C ATOM 750 C PHE A 49 -6.098 -2.399 4.451 1.00 0.49 C ATOM 751 O PHE A 49 -4.998 -1.895 4.575 1.00 0.51 O ATOM 752 CB PHE A 49 -7.833 -1.006 3.321 1.00 0.48 C ATOM 753 CG PHE A 49 -8.116 -0.397 1.965 1.00 0.61 C ATOM 754 CD1 PHE A 49 -8.320 -1.221 0.849 1.00 1.35 C ATOM 755 CD2 PHE A 49 -8.190 0.994 1.827 1.00 1.45 C ATOM 756 CE1 PHE A 49 -8.599 -0.655 -0.400 1.00 1.45 C ATOM 757 CE2 PHE A 49 -8.466 1.560 0.576 1.00 1.58 C ATOM 758 CZ PHE A 49 -8.671 0.735 -0.537 1.00 1.04 C ATOM 0 H PHE A 49 -8.744 -3.315 3.034 1.00 0.51 H new ATOM 0 HA PHE A 49 -6.235 -2.067 2.327 1.00 0.50 H new ATOM 0 HB2 PHE A 49 -8.767 -1.305 3.797 1.00 0.48 H new ATOM 0 HB3 PHE A 49 -7.367 -0.266 3.971 1.00 0.48 H new ATOM 0 HD1 PHE A 49 -8.262 -2.294 0.954 1.00 1.35 H new ATOM 0 HD2 PHE A 49 -8.034 1.631 2.685 1.00 1.45 H new ATOM 0 HE1 PHE A 49 -8.759 -1.291 -1.258 1.00 1.45 H new ATOM 0 HE2 PHE A 49 -8.521 2.633 0.470 1.00 1.58 H new ATOM 0 HZ PHE A 49 -8.885 1.172 -1.501 1.00 1.04 H new ATOM 768 N CYS A 50 -6.629 -3.102 5.413 1.00 0.47 N ATOM 769 CA CYS A 50 -5.889 -3.300 6.693 1.00 0.46 C ATOM 770 C CYS A 50 -4.710 -4.256 6.481 1.00 0.50 C ATOM 771 O CYS A 50 -3.599 -3.979 6.881 1.00 0.62 O ATOM 772 CB CYS A 50 -6.837 -3.891 7.737 1.00 0.48 C ATOM 773 SG CYS A 50 -5.982 -4.016 9.327 1.00 0.85 S ATOM 0 H CYS A 50 -7.545 -3.549 5.369 1.00 0.47 H new ATOM 0 HA CYS A 50 -5.509 -2.338 7.037 1.00 0.46 H new ATOM 0 HB2 CYS A 50 -7.722 -3.263 7.837 1.00 0.48 H new ATOM 0 HB3 CYS A 50 -7.179 -4.875 7.417 1.00 0.48 H new ATOM 778 N ARG A 51 -4.943 -5.381 5.863 1.00 0.40 N ATOM 779 CA ARG A 51 -3.835 -6.353 5.636 1.00 0.42 C ATOM 780 C ARG A 51 -2.705 -5.669 4.864 1.00 0.41 C ATOM 781 O ARG A 51 -1.560 -5.662 5.285 1.00 0.39 O ATOM 782 CB ARG A 51 -4.362 -7.541 4.827 1.00 0.47 C ATOM 783 CG ARG A 51 -4.841 -8.635 5.782 1.00 0.39 C ATOM 784 CD ARG A 51 -6.312 -8.952 5.507 1.00 0.79 C ATOM 785 NE ARG A 51 -6.810 -9.914 6.534 1.00 1.36 N ATOM 786 CZ ARG A 51 -8.095 -10.134 6.693 1.00 2.40 C ATOM 787 NH1 ARG A 51 -8.987 -9.526 5.948 1.00 2.84 N ATOM 788 NH2 ARG A 51 -8.491 -10.977 7.608 1.00 3.15 N ATOM 0 H ARG A 51 -5.853 -5.670 5.505 1.00 0.40 H new ATOM 0 HA ARG A 51 -3.455 -6.705 6.595 1.00 0.42 H new ATOM 0 HB2 ARG A 51 -5.181 -7.221 4.183 1.00 0.47 H new ATOM 0 HB3 ARG A 51 -3.578 -7.929 4.177 1.00 0.47 H new ATOM 0 HG2 ARG A 51 -4.236 -9.533 5.655 1.00 0.39 H new ATOM 0 HG3 ARG A 51 -4.716 -8.310 6.815 1.00 0.39 H new ATOM 0 HD2 ARG A 51 -6.904 -8.037 5.532 1.00 0.79 H new ATOM 0 HD3 ARG A 51 -6.424 -9.377 4.510 1.00 0.79 H new ATOM 0 HE ARG A 51 -6.140 -10.409 7.123 1.00 1.36 H new ATOM 0 HH11 ARG A 51 -8.687 -8.868 5.229 1.00 2.84 H new ATOM 0 HH12 ARG A 51 -9.980 -9.711 6.088 1.00 2.84 H new ATOM 0 HH21 ARG A 51 -7.805 -11.457 8.191 1.00 3.15 H new ATOM 0 HH22 ARG A 51 -9.486 -11.156 7.740 1.00 3.15 H new ATOM 802 N ALA A 52 -3.013 -5.091 3.738 1.00 0.41 N ATOM 803 CA ALA A 52 -1.956 -4.407 2.947 1.00 0.40 C ATOM 804 C ALA A 52 -1.390 -3.240 3.757 1.00 0.35 C ATOM 805 O ALA A 52 -0.264 -2.834 3.563 1.00 0.27 O ATOM 806 CB ALA A 52 -2.549 -3.882 1.639 1.00 0.42 C ATOM 0 H ALA A 52 -3.949 -5.063 3.332 1.00 0.41 H new ATOM 0 HA ALA A 52 -1.158 -5.115 2.721 1.00 0.40 H new ATOM 0 HB1 ALA A 52 -1.771 -3.381 1.062 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -2.950 -4.715 1.061 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -3.349 -3.175 1.860 1.00 0.42 H new ATOM 812 N ALA A 53 -2.157 -2.695 4.666 1.00 0.42 N ATOM 813 CA ALA A 53 -1.650 -1.557 5.484 1.00 0.38 C ATOM 814 C ALA A 53 -0.561 -2.061 6.431 1.00 0.36 C ATOM 815 O ALA A 53 0.364 -1.349 6.758 1.00 0.34 O ATOM 816 CB ALA A 53 -2.797 -0.957 6.298 1.00 0.41 C ATOM 0 H ALA A 53 -3.111 -2.990 4.876 1.00 0.42 H new ATOM 0 HA ALA A 53 -1.238 -0.792 4.826 1.00 0.38 H new ATOM 0 HB1 ALA A 53 -2.423 -0.125 6.895 1.00 0.41 H new ATOM 0 HB2 ALA A 53 -3.574 -0.599 5.623 1.00 0.41 H new ATOM 0 HB3 ALA A 53 -3.213 -1.719 6.957 1.00 0.41 H new ATOM 822 N THR A 54 -0.655 -3.290 6.864 1.00 0.40 N ATOM 823 CA THR A 54 0.387 -3.842 7.773 1.00 0.38 C ATOM 824 C THR A 54 1.676 -4.000 6.972 1.00 0.40 C ATOM 825 O THR A 54 2.740 -3.558 7.373 1.00 0.44 O ATOM 826 CB THR A 54 -0.062 -5.210 8.299 1.00 0.46 C ATOM 827 OG1 THR A 54 -0.930 -5.028 9.408 1.00 0.48 O ATOM 828 CG2 THR A 54 1.160 -6.022 8.730 1.00 0.42 C ATOM 0 H THR A 54 -1.409 -3.934 6.627 1.00 0.40 H new ATOM 0 HA THR A 54 0.545 -3.174 8.620 1.00 0.38 H new ATOM 0 HB THR A 54 -0.589 -5.747 7.510 1.00 0.46 H new ATOM 0 HG1 THR A 54 -1.219 -5.902 9.744 1.00 0.48 H new ATOM 0 HG21 THR A 54 0.838 -6.994 9.103 1.00 0.42 H new ATOM 0 HG22 THR A 54 1.823 -6.163 7.876 1.00 0.42 H new ATOM 0 HG23 THR A 54 1.692 -5.489 9.518 1.00 0.42 H new ATOM 836 N VAL A 55 1.580 -4.610 5.826 1.00 0.41 N ATOM 837 CA VAL A 55 2.786 -4.779 4.976 1.00 0.48 C ATOM 838 C VAL A 55 3.325 -3.395 4.597 1.00 0.49 C ATOM 839 O VAL A 55 4.498 -3.224 4.326 1.00 0.57 O ATOM 840 CB VAL A 55 2.409 -5.553 3.713 1.00 0.53 C ATOM 841 CG1 VAL A 55 3.627 -5.654 2.794 1.00 0.67 C ATOM 842 CG2 VAL A 55 1.947 -6.959 4.100 1.00 0.57 C ATOM 0 H VAL A 55 0.719 -4.998 5.442 1.00 0.41 H new ATOM 0 HA VAL A 55 3.552 -5.332 5.519 1.00 0.48 H new ATOM 0 HB VAL A 55 1.604 -5.033 3.194 1.00 0.53 H new ATOM 0 HG11 VAL A 55 3.358 -6.206 1.893 1.00 0.67 H new ATOM 0 HG12 VAL A 55 3.960 -4.653 2.520 1.00 0.67 H new ATOM 0 HG13 VAL A 55 4.432 -6.175 3.312 1.00 0.67 H new ATOM 0 HG21 VAL A 55 1.677 -7.514 3.201 1.00 0.57 H new ATOM 0 HG22 VAL A 55 2.754 -7.477 4.618 1.00 0.57 H new ATOM 0 HG23 VAL A 55 1.080 -6.889 4.757 1.00 0.57 H new ATOM 852 N LEU A 56 2.476 -2.397 4.591 1.00 0.43 N ATOM 853 CA LEU A 56 2.938 -1.026 4.247 1.00 0.47 C ATOM 854 C LEU A 56 3.711 -0.458 5.437 1.00 0.47 C ATOM 855 O LEU A 56 4.660 0.284 5.277 1.00 0.48 O ATOM 856 CB LEU A 56 1.728 -0.141 3.942 1.00 0.43 C ATOM 857 CG LEU A 56 1.533 -0.056 2.426 1.00 0.39 C ATOM 858 CD1 LEU A 56 0.151 -0.592 2.048 1.00 1.01 C ATOM 859 CD2 LEU A 56 1.648 1.401 1.980 1.00 0.69 C ATOM 0 H LEU A 56 1.483 -2.477 4.810 1.00 0.43 H new ATOM 0 HA LEU A 56 3.583 -1.057 3.369 1.00 0.47 H new ATOM 0 HB2 LEU A 56 0.835 -0.552 4.413 1.00 0.43 H new ATOM 0 HB3 LEU A 56 1.878 0.856 4.357 1.00 0.43 H new ATOM 0 HG LEU A 56 2.299 -0.654 1.933 1.00 0.39 H new ATOM 0 HD11 LEU A 56 0.019 -0.528 0.968 1.00 1.01 H new ATOM 0 HD12 LEU A 56 0.065 -1.632 2.364 1.00 1.01 H new ATOM 0 HD13 LEU A 56 -0.617 0.002 2.543 1.00 1.01 H new ATOM 0 HD21 LEU A 56 1.509 1.463 0.901 1.00 0.69 H new ATOM 0 HD22 LEU A 56 0.883 1.996 2.479 1.00 0.69 H new ATOM 0 HD23 LEU A 56 2.634 1.785 2.242 1.00 0.69 H new ATOM 871 N ARG A 57 3.322 -0.820 6.631 1.00 0.44 N ATOM 872 CA ARG A 57 4.046 -0.322 7.831 1.00 0.44 C ATOM 873 C ARG A 57 5.497 -0.773 7.726 1.00 0.52 C ATOM 874 O ARG A 57 6.414 -0.017 7.973 1.00 0.58 O ATOM 875 CB ARG A 57 3.418 -0.909 9.099 1.00 0.29 C ATOM 876 CG ARG A 57 3.793 -0.042 10.306 1.00 0.60 C ATOM 877 CD ARG A 57 4.659 -0.850 11.276 1.00 1.39 C ATOM 878 NE ARG A 57 4.801 -0.096 12.557 1.00 1.61 N ATOM 879 CZ ARG A 57 5.248 -0.681 13.645 1.00 2.46 C ATOM 880 NH1 ARG A 57 5.609 -1.943 13.641 1.00 3.35 N ATOM 881 NH2 ARG A 57 5.339 0.007 14.751 1.00 2.69 N ATOM 0 H ARG A 57 2.534 -1.439 6.824 1.00 0.44 H new ATOM 0 HA ARG A 57 3.986 0.765 7.882 1.00 0.44 H new ATOM 0 HB2 ARG A 57 2.334 -0.954 8.993 1.00 0.29 H new ATOM 0 HB3 ARG A 57 3.766 -1.931 9.250 1.00 0.29 H new ATOM 0 HG2 ARG A 57 4.333 0.845 9.974 1.00 0.60 H new ATOM 0 HG3 ARG A 57 2.891 0.304 10.811 1.00 0.60 H new ATOM 0 HD2 ARG A 57 4.205 -1.823 11.462 1.00 1.39 H new ATOM 0 HD3 ARG A 57 5.640 -1.034 10.838 1.00 1.39 H new ATOM 0 HE ARG A 57 4.546 0.891 12.588 1.00 1.61 H new ATOM 0 HH11 ARG A 57 5.545 -2.489 12.782 1.00 3.35 H new ATOM 0 HH12 ARG A 57 5.953 -2.378 14.497 1.00 3.35 H new ATOM 0 HH21 ARG A 57 5.064 0.989 14.765 1.00 2.69 H new ATOM 0 HH22 ARG A 57 5.685 -0.438 15.601 1.00 2.69 H new ATOM 895 N GLN A 58 5.709 -2.001 7.339 1.00 0.55 N ATOM 896 CA GLN A 58 7.104 -2.503 7.189 1.00 0.66 C ATOM 897 C GLN A 58 7.745 -1.845 5.960 1.00 0.74 C ATOM 898 O GLN A 58 8.949 -1.721 5.864 1.00 0.79 O ATOM 899 CB GLN A 58 7.084 -4.022 7.006 1.00 0.66 C ATOM 900 CG GLN A 58 7.763 -4.689 8.202 1.00 0.68 C ATOM 901 CD GLN A 58 8.488 -5.950 7.737 1.00 0.95 C ATOM 902 OE1 GLN A 58 9.346 -5.890 6.878 1.00 2.07 O ATOM 903 NE2 GLN A 58 8.179 -7.099 8.270 1.00 0.46 N ATOM 0 H GLN A 58 4.978 -2.678 7.120 1.00 0.55 H new ATOM 0 HA GLN A 58 7.681 -2.256 8.080 1.00 0.66 H new ATOM 0 HB2 GLN A 58 6.057 -4.374 6.915 1.00 0.66 H new ATOM 0 HB3 GLN A 58 7.598 -4.295 6.084 1.00 0.66 H new ATOM 0 HG2 GLN A 58 8.470 -4.000 8.664 1.00 0.68 H new ATOM 0 HG3 GLN A 58 7.022 -4.941 8.961 1.00 0.68 H new ATOM 0 HE21 GLN A 58 7.459 -7.150 8.991 1.00 0.46 H new ATOM 0 HE22 GLN A 58 8.657 -7.947 7.966 1.00 0.46 H new ATOM 912 N PHE A 59 6.945 -1.423 5.017 1.00 0.77 N ATOM 913 CA PHE A 59 7.497 -0.773 3.794 1.00 0.87 C ATOM 914 C PHE A 59 8.280 0.489 4.177 1.00 0.75 C ATOM 915 O PHE A 59 9.424 0.658 3.804 1.00 0.66 O ATOM 916 CB PHE A 59 6.331 -0.385 2.878 1.00 1.06 C ATOM 917 CG PHE A 59 6.765 -0.416 1.430 1.00 0.72 C ATOM 918 CD1 PHE A 59 7.907 0.283 1.017 1.00 0.66 C ATOM 919 CD2 PHE A 59 6.017 -1.143 0.496 1.00 1.63 C ATOM 920 CE1 PHE A 59 8.299 0.252 -0.326 1.00 0.74 C ATOM 921 CE2 PHE A 59 6.410 -1.174 -0.847 1.00 1.70 C ATOM 922 CZ PHE A 59 7.552 -0.476 -1.258 1.00 0.93 C ATOM 0 H PHE A 59 5.928 -1.501 5.042 1.00 0.77 H new ATOM 0 HA PHE A 59 8.167 -1.465 3.284 1.00 0.87 H new ATOM 0 HB2 PHE A 59 5.498 -1.071 3.029 1.00 1.06 H new ATOM 0 HB3 PHE A 59 5.974 0.612 3.136 1.00 1.06 H new ATOM 0 HD1 PHE A 59 8.485 0.846 1.735 1.00 0.66 H new ATOM 0 HD2 PHE A 59 5.135 -1.681 0.812 1.00 1.63 H new ATOM 0 HE1 PHE A 59 9.180 0.791 -0.643 1.00 0.74 H new ATOM 0 HE2 PHE A 59 5.833 -1.736 -1.566 1.00 1.70 H new ATOM 0 HZ PHE A 59 7.856 -0.500 -2.294 1.00 0.93 H new ATOM 932 N TYR A 60 7.665 1.391 4.895 1.00 0.79 N ATOM 933 CA TYR A 60 8.368 2.655 5.273 1.00 0.73 C ATOM 934 C TYR A 60 9.091 2.522 6.620 1.00 0.63 C ATOM 935 O TYR A 60 9.829 3.402 7.013 1.00 0.63 O ATOM 936 CB TYR A 60 7.346 3.787 5.370 1.00 0.86 C ATOM 937 CG TYR A 60 6.949 3.978 6.814 1.00 0.62 C ATOM 938 CD1 TYR A 60 5.948 3.176 7.374 1.00 0.63 C ATOM 939 CD2 TYR A 60 7.582 4.955 7.592 1.00 0.57 C ATOM 940 CE1 TYR A 60 5.579 3.350 8.712 1.00 0.54 C ATOM 941 CE2 TYR A 60 7.213 5.130 8.931 1.00 0.48 C ATOM 942 CZ TYR A 60 6.211 4.327 9.491 1.00 0.43 C ATOM 943 OH TYR A 60 5.846 4.499 10.811 1.00 0.55 O ATOM 0 H TYR A 60 6.707 1.309 5.236 1.00 0.79 H new ATOM 0 HA TYR A 60 9.112 2.868 4.506 1.00 0.73 H new ATOM 0 HB2 TYR A 60 7.769 4.709 4.972 1.00 0.86 H new ATOM 0 HB3 TYR A 60 6.468 3.553 4.767 1.00 0.86 H new ATOM 0 HD1 TYR A 60 5.460 2.423 6.773 1.00 0.63 H new ATOM 0 HD2 TYR A 60 8.355 5.573 7.159 1.00 0.57 H new ATOM 0 HE1 TYR A 60 4.807 2.731 9.144 1.00 0.54 H new ATOM 0 HE2 TYR A 60 7.700 5.884 9.532 1.00 0.48 H new ATOM 0 HH TYR A 60 6.382 5.217 11.208 1.00 0.55 H new ATOM 953 N SER A 61 8.886 1.461 7.348 1.00 0.60 N ATOM 954 CA SER A 61 9.578 1.341 8.665 1.00 0.56 C ATOM 955 C SER A 61 10.913 0.606 8.501 1.00 0.46 C ATOM 956 O SER A 61 11.950 1.085 8.914 1.00 0.37 O ATOM 957 CB SER A 61 8.689 0.587 9.655 1.00 0.72 C ATOM 958 OG SER A 61 8.754 -0.807 9.392 1.00 1.45 O ATOM 0 H SER A 61 8.279 0.681 7.095 1.00 0.60 H new ATOM 0 HA SER A 61 9.773 2.342 9.049 1.00 0.56 H new ATOM 0 HB2 SER A 61 9.012 0.790 10.676 1.00 0.72 H new ATOM 0 HB3 SER A 61 7.659 0.935 9.572 1.00 0.72 H new ATOM 0 HG SER A 61 8.185 -1.287 10.029 1.00 1.45 H new ATOM 964 N HIS A 62 10.893 -0.562 7.921 1.00 0.50 N ATOM 965 CA HIS A 62 12.155 -1.338 7.752 1.00 0.49 C ATOM 966 C HIS A 62 12.812 -1.012 6.406 1.00 0.42 C ATOM 967 O HIS A 62 13.993 -0.735 6.336 1.00 0.40 O ATOM 968 CB HIS A 62 11.833 -2.833 7.814 1.00 0.66 C ATOM 969 CG HIS A 62 12.290 -3.390 9.134 1.00 0.67 C ATOM 970 ND1 HIS A 62 11.545 -4.322 9.843 1.00 1.86 N ATOM 971 CD2 HIS A 62 13.412 -3.156 9.890 1.00 0.87 C ATOM 972 CE1 HIS A 62 12.222 -4.610 10.970 1.00 1.54 C ATOM 973 NE2 HIS A 62 13.367 -3.928 11.047 1.00 0.72 N ATOM 0 H HIS A 62 10.055 -1.014 7.556 1.00 0.50 H new ATOM 0 HA HIS A 62 12.847 -1.069 8.550 1.00 0.49 H new ATOM 0 HB2 HIS A 62 10.761 -2.990 7.692 1.00 0.66 H new ATOM 0 HB3 HIS A 62 12.327 -3.357 6.996 1.00 0.66 H new ATOM 0 HD2 HIS A 62 14.209 -2.476 9.627 1.00 0.87 H new ATOM 0 HE1 HIS A 62 11.881 -5.308 11.720 1.00 1.54 H new ATOM 0 HE2 HIS A 62 14.061 -3.965 11.794 1.00 0.72 H new ATOM 981 N HIS A 63 12.067 -1.060 5.334 1.00 0.42 N ATOM 982 CA HIS A 63 12.660 -0.770 3.993 1.00 0.42 C ATOM 983 C HIS A 63 12.541 0.721 3.656 1.00 0.69 C ATOM 984 O HIS A 63 12.286 1.087 2.527 1.00 1.31 O ATOM 985 CB HIS A 63 11.925 -1.587 2.930 1.00 0.55 C ATOM 986 CG HIS A 63 11.762 -3.002 3.411 1.00 1.15 C ATOM 987 ND1 HIS A 63 12.846 -3.795 3.754 1.00 1.76 N ATOM 988 CD2 HIS A 63 10.649 -3.780 3.616 1.00 1.45 C ATOM 989 CE1 HIS A 63 12.366 -4.991 4.143 1.00 2.35 C ATOM 990 NE2 HIS A 63 11.033 -5.036 4.078 1.00 2.15 N ATOM 0 H HIS A 63 11.073 -1.287 5.328 1.00 0.42 H new ATOM 0 HA HIS A 63 13.716 -1.040 4.013 1.00 0.42 H new ATOM 0 HB2 HIS A 63 10.949 -1.146 2.727 1.00 0.55 H new ATOM 0 HB3 HIS A 63 12.483 -1.572 1.994 1.00 0.55 H new ATOM 0 HD2 HIS A 63 9.630 -3.465 3.445 1.00 1.45 H new ATOM 0 HE1 HIS A 63 12.984 -5.815 4.468 1.00 2.35 H new ATOM 0 HE2 HIS A 63 10.427 -5.821 4.316 1.00 2.15 H new ATOM 998 N GLU A 64 12.727 1.586 4.616 1.00 0.29 N ATOM 999 CA GLU A 64 12.628 3.045 4.329 1.00 0.60 C ATOM 1000 C GLU A 64 14.007 3.581 3.950 1.00 1.09 C ATOM 1001 O GLU A 64 14.140 4.449 3.111 1.00 1.58 O ATOM 1002 CB GLU A 64 12.106 3.774 5.573 1.00 0.20 C ATOM 1003 CG GLU A 64 13.116 4.828 6.041 1.00 0.34 C ATOM 1004 CD GLU A 64 12.561 5.555 7.267 1.00 0.29 C ATOM 1005 OE1 GLU A 64 11.357 5.748 7.323 1.00 0.77 O ATOM 1006 OE2 GLU A 64 13.349 5.908 8.129 1.00 1.28 O ATOM 0 H GLU A 64 12.943 1.346 5.584 1.00 0.29 H new ATOM 0 HA GLU A 64 11.939 3.212 3.501 1.00 0.60 H new ATOM 0 HB2 GLU A 64 11.152 4.251 5.349 1.00 0.20 H new ATOM 0 HB3 GLU A 64 11.924 3.056 6.373 1.00 0.20 H new ATOM 0 HG2 GLU A 64 14.066 4.354 6.285 1.00 0.34 H new ATOM 0 HG3 GLU A 64 13.312 5.541 5.240 1.00 0.34 H new ATOM 1013 N LYS A 65 15.036 3.078 4.573 1.00 1.07 N ATOM 1014 CA LYS A 65 16.406 3.565 4.261 1.00 1.64 C ATOM 1015 C LYS A 65 17.409 2.421 4.417 1.00 1.12 C ATOM 1016 O LYS A 65 18.538 2.622 4.820 1.00 1.59 O ATOM 1017 CB LYS A 65 16.768 4.696 5.225 1.00 2.41 C ATOM 1018 CG LYS A 65 17.669 5.706 4.512 1.00 3.29 C ATOM 1019 CD LYS A 65 18.908 5.994 5.363 1.00 3.38 C ATOM 1020 CE LYS A 65 20.160 5.558 4.601 1.00 4.36 C ATOM 1021 NZ LYS A 65 21.278 6.496 4.903 1.00 4.84 N ATOM 0 H LYS A 65 14.986 2.350 5.285 1.00 1.07 H new ATOM 0 HA LYS A 65 16.437 3.931 3.235 1.00 1.64 H new ATOM 0 HB2 LYS A 65 15.863 5.188 5.581 1.00 2.41 H new ATOM 0 HB3 LYS A 65 17.277 4.293 6.100 1.00 2.41 H new ATOM 0 HG2 LYS A 65 17.968 5.316 3.539 1.00 3.29 H new ATOM 0 HG3 LYS A 65 17.120 6.630 4.329 1.00 3.29 H new ATOM 0 HD2 LYS A 65 18.963 7.057 5.597 1.00 3.38 H new ATOM 0 HD3 LYS A 65 18.843 5.462 6.312 1.00 3.38 H new ATOM 0 HE2 LYS A 65 20.436 4.543 4.885 1.00 4.36 H new ATOM 0 HE3 LYS A 65 19.961 5.546 3.529 1.00 4.36 H new ATOM 0 HZ1 LYS A 65 22.130 6.199 4.385 1.00 4.84 H new ATOM 0 HZ2 LYS A 65 21.012 7.458 4.611 1.00 4.84 H new ATOM 0 HZ3 LYS A 65 21.473 6.486 5.924 1.00 4.84 H new ATOM 1035 N ASP A 66 17.008 1.220 4.103 1.00 0.40 N ATOM 1036 CA ASP A 66 17.941 0.067 4.233 1.00 0.37 C ATOM 1037 C ASP A 66 18.910 0.062 3.050 1.00 0.60 C ATOM 1038 O ASP A 66 18.888 0.942 2.214 1.00 0.58 O ATOM 1039 CB ASP A 66 17.142 -1.238 4.247 1.00 0.72 C ATOM 1040 CG ASP A 66 17.604 -2.107 5.418 1.00 1.19 C ATOM 1041 OD1 ASP A 66 18.754 -1.982 5.807 1.00 1.43 O ATOM 1042 OD2 ASP A 66 16.800 -2.884 5.906 1.00 1.81 O ATOM 0 H ASP A 66 16.075 0.988 3.762 1.00 0.40 H new ATOM 0 HA ASP A 66 18.503 0.156 5.163 1.00 0.37 H new ATOM 0 HB2 ASP A 66 16.077 -1.024 4.337 1.00 0.72 H new ATOM 0 HB3 ASP A 66 17.281 -1.772 3.307 1.00 0.72 H new ATOM 1047 N THR A 67 19.760 -0.923 2.973 1.00 1.12 N ATOM 1048 CA THR A 67 20.732 -0.980 1.844 1.00 1.49 C ATOM 1049 C THR A 67 20.055 -1.553 0.591 1.00 1.42 C ATOM 1050 O THR A 67 20.531 -1.374 -0.511 1.00 1.55 O ATOM 1051 CB THR A 67 21.915 -1.868 2.237 1.00 2.03 C ATOM 1052 OG1 THR A 67 21.439 -3.007 2.940 1.00 3.20 O ATOM 1053 CG2 THR A 67 22.873 -1.078 3.131 1.00 1.84 C ATOM 0 H THR A 67 19.825 -1.691 3.642 1.00 1.12 H new ATOM 0 HA THR A 67 21.085 0.028 1.626 1.00 1.49 H new ATOM 0 HB THR A 67 22.441 -2.190 1.339 1.00 2.03 H new ATOM 0 HG1 THR A 67 22.196 -3.577 3.190 1.00 3.20 H new ATOM 0 HG21 THR A 67 23.715 -1.711 3.411 1.00 1.84 H new ATOM 0 HG22 THR A 67 23.239 -0.205 2.590 1.00 1.84 H new ATOM 0 HG23 THR A 67 22.348 -0.754 4.030 1.00 1.84 H new ATOM 1061 N ARG A 68 18.954 -2.243 0.746 1.00 1.33 N ATOM 1062 CA ARG A 68 18.267 -2.822 -0.444 1.00 1.39 C ATOM 1063 C ARG A 68 17.744 -1.696 -1.342 1.00 1.04 C ATOM 1064 O ARG A 68 18.168 -1.546 -2.472 1.00 0.88 O ATOM 1065 CB ARG A 68 17.106 -3.703 0.020 1.00 1.53 C ATOM 1066 CG ARG A 68 17.641 -5.094 0.370 1.00 1.84 C ATOM 1067 CD ARG A 68 16.593 -5.868 1.168 1.00 2.83 C ATOM 1068 NE ARG A 68 17.206 -6.382 2.435 1.00 3.02 N ATOM 1069 CZ ARG A 68 18.328 -7.065 2.436 1.00 2.32 C ATOM 1070 NH1 ARG A 68 18.844 -7.534 1.325 1.00 1.43 N ATOM 1071 NH2 ARG A 68 18.902 -7.345 3.574 1.00 2.98 N ATOM 0 H ARG A 68 18.504 -2.429 1.642 1.00 1.33 H new ATOM 0 HA ARG A 68 18.973 -3.426 -1.013 1.00 1.39 H new ATOM 0 HB2 ARG A 68 16.620 -3.258 0.888 1.00 1.53 H new ATOM 0 HB3 ARG A 68 16.353 -3.776 -0.764 1.00 1.53 H new ATOM 0 HG2 ARG A 68 17.891 -5.637 -0.541 1.00 1.84 H new ATOM 0 HG3 ARG A 68 18.560 -5.005 0.950 1.00 1.84 H new ATOM 0 HD2 ARG A 68 15.746 -5.222 1.398 1.00 2.83 H new ATOM 0 HD3 ARG A 68 16.209 -6.698 0.575 1.00 2.83 H new ATOM 0 HE ARG A 68 16.739 -6.196 3.322 1.00 3.02 H new ATOM 0 HH11 ARG A 68 18.373 -7.371 0.435 1.00 1.43 H new ATOM 0 HH12 ARG A 68 19.717 -8.062 1.351 1.00 1.43 H new ATOM 0 HH21 ARG A 68 18.479 -7.034 4.449 1.00 2.98 H new ATOM 0 HH22 ARG A 68 19.774 -7.875 3.589 1.00 2.98 H new ATOM 1085 N CYS A 69 16.830 -0.899 -0.855 1.00 0.93 N ATOM 1086 CA CYS A 69 16.291 0.220 -1.689 1.00 0.59 C ATOM 1087 C CYS A 69 17.115 1.494 -1.452 1.00 0.85 C ATOM 1088 O CYS A 69 16.581 2.584 -1.404 1.00 1.70 O ATOM 1089 CB CYS A 69 14.829 0.480 -1.313 1.00 0.63 C ATOM 1090 SG CYS A 69 14.071 1.587 -2.531 1.00 0.70 S ATOM 0 H CYS A 69 16.433 -0.972 0.082 1.00 0.93 H new ATOM 0 HA CYS A 69 16.354 -0.056 -2.741 1.00 0.59 H new ATOM 0 HB2 CYS A 69 14.281 -0.461 -1.273 1.00 0.63 H new ATOM 0 HB3 CYS A 69 14.773 0.924 -0.319 1.00 0.63 H new ATOM 1095 N LEU A 70 18.410 1.372 -1.304 1.00 0.81 N ATOM 1096 CA LEU A 70 19.255 2.576 -1.071 1.00 1.02 C ATOM 1097 C LEU A 70 19.736 3.136 -2.413 1.00 0.54 C ATOM 1098 O LEU A 70 19.295 4.177 -2.856 1.00 0.85 O ATOM 1099 CB LEU A 70 20.462 2.193 -0.211 1.00 1.53 C ATOM 1100 CG LEU A 70 20.550 3.133 0.992 1.00 1.52 C ATOM 1101 CD1 LEU A 70 21.827 2.841 1.780 1.00 2.35 C ATOM 1102 CD2 LEU A 70 20.575 4.582 0.500 1.00 1.74 C ATOM 0 H LEU A 70 18.917 0.487 -1.335 1.00 0.81 H new ATOM 0 HA LEU A 70 18.668 3.336 -0.555 1.00 1.02 H new ATOM 0 HB2 LEU A 70 20.369 1.161 0.127 1.00 1.53 H new ATOM 0 HB3 LEU A 70 21.376 2.254 -0.801 1.00 1.53 H new ATOM 0 HG LEU A 70 19.685 2.979 1.637 1.00 1.52 H new ATOM 0 HD11 LEU A 70 21.887 3.512 2.637 1.00 2.35 H new ATOM 0 HD12 LEU A 70 21.811 1.808 2.128 1.00 2.35 H new ATOM 0 HD13 LEU A 70 22.694 2.994 1.137 1.00 2.35 H new ATOM 0 HD21 LEU A 70 20.638 5.255 1.355 1.00 1.74 H new ATOM 0 HD22 LEU A 70 21.441 4.732 -0.145 1.00 1.74 H new ATOM 0 HD23 LEU A 70 19.664 4.792 -0.061 1.00 1.74 H new ATOM 1114 N GLY A 71 20.639 2.452 -3.065 1.00 0.38 N ATOM 1115 CA GLY A 71 21.145 2.948 -4.378 1.00 0.45 C ATOM 1116 C GLY A 71 22.653 3.182 -4.290 1.00 0.35 C ATOM 1117 O GLY A 71 23.225 3.213 -3.219 1.00 0.27 O ATOM 0 H GLY A 71 21.047 1.573 -2.746 1.00 0.38 H new ATOM 0 HA2 GLY A 71 20.924 2.223 -5.162 1.00 0.45 H new ATOM 0 HA3 GLY A 71 20.638 3.874 -4.648 1.00 0.45 H new ATOM 1121 N ALA A 72 23.304 3.351 -5.409 1.00 0.92 N ATOM 1122 CA ALA A 72 24.774 3.587 -5.384 1.00 1.24 C ATOM 1123 C ALA A 72 25.053 5.075 -5.605 1.00 1.07 C ATOM 1124 O ALA A 72 25.984 5.629 -5.055 1.00 1.08 O ATOM 1125 CB ALA A 72 25.443 2.768 -6.491 1.00 1.44 C ATOM 0 H ALA A 72 22.882 3.336 -6.337 1.00 0.92 H new ATOM 0 HA ALA A 72 25.176 3.282 -4.418 1.00 1.24 H new ATOM 0 HB1 ALA A 72 26.519 2.941 -6.472 1.00 1.44 H new ATOM 0 HB2 ALA A 72 25.243 1.708 -6.331 1.00 1.44 H new ATOM 0 HB3 ALA A 72 25.044 3.070 -7.459 1.00 1.44 H new ATOM 1131 N THR A 73 24.252 5.731 -6.402 1.00 1.52 N ATOM 1132 CA THR A 73 24.474 7.184 -6.650 1.00 1.38 C ATOM 1133 C THR A 73 23.994 7.986 -5.437 1.00 1.41 C ATOM 1134 O THR A 73 23.360 7.458 -4.544 1.00 1.59 O ATOM 1135 CB THR A 73 23.693 7.621 -7.892 1.00 1.14 C ATOM 1136 OG1 THR A 73 22.376 7.091 -7.833 1.00 0.90 O ATOM 1137 CG2 THR A 73 24.396 7.106 -9.149 1.00 1.86 C ATOM 0 H THR A 73 23.455 5.324 -6.891 1.00 1.52 H new ATOM 0 HA THR A 73 25.537 7.365 -6.811 1.00 1.38 H new ATOM 0 HB THR A 73 23.646 8.709 -7.926 1.00 1.14 H new ATOM 0 HG1 THR A 73 21.875 7.371 -8.627 1.00 0.90 H new ATOM 0 HG21 THR A 73 23.838 7.418 -10.032 1.00 1.86 H new ATOM 0 HG22 THR A 73 25.406 7.514 -9.194 1.00 1.86 H new ATOM 0 HG23 THR A 73 24.446 6.018 -9.118 1.00 1.86 H new ATOM 1145 N ALA A 74 24.294 9.257 -5.396 1.00 1.32 N ATOM 1146 CA ALA A 74 23.860 10.090 -4.239 1.00 1.52 C ATOM 1147 C ALA A 74 22.449 10.626 -4.488 1.00 1.38 C ATOM 1148 O ALA A 74 21.685 10.840 -3.568 1.00 1.58 O ATOM 1149 CB ALA A 74 24.827 11.263 -4.066 1.00 1.69 C ATOM 0 H ALA A 74 24.821 9.754 -6.114 1.00 1.32 H new ATOM 0 HA ALA A 74 23.859 9.480 -3.336 1.00 1.52 H new ATOM 0 HB1 ALA A 74 24.511 11.873 -3.220 1.00 1.69 H new ATOM 0 HB2 ALA A 74 25.832 10.882 -3.883 1.00 1.69 H new ATOM 0 HB3 ALA A 74 24.828 11.870 -4.971 1.00 1.69 H new ATOM 1155 N GLN A 75 22.095 10.848 -5.725 1.00 1.10 N ATOM 1156 CA GLN A 75 20.733 11.371 -6.026 1.00 1.07 C ATOM 1157 C GLN A 75 19.690 10.300 -5.698 1.00 0.95 C ATOM 1158 O GLN A 75 18.577 10.599 -5.315 1.00 0.96 O ATOM 1159 CB GLN A 75 20.644 11.738 -7.509 1.00 0.92 C ATOM 1160 CG GLN A 75 21.037 13.206 -7.696 1.00 1.42 C ATOM 1161 CD GLN A 75 21.521 13.425 -9.130 1.00 1.57 C ATOM 1162 OE1 GLN A 75 20.747 13.347 -10.064 1.00 0.85 O ATOM 1163 NE2 GLN A 75 22.780 13.694 -9.347 1.00 2.77 N ATOM 0 H GLN A 75 22.690 10.690 -6.539 1.00 1.10 H new ATOM 0 HA GLN A 75 20.542 12.258 -5.422 1.00 1.07 H new ATOM 0 HB2 GLN A 75 21.304 11.097 -8.094 1.00 0.92 H new ATOM 0 HB3 GLN A 75 19.631 11.572 -7.876 1.00 0.92 H new ATOM 0 HG2 GLN A 75 20.184 13.852 -7.486 1.00 1.42 H new ATOM 0 HG3 GLN A 75 21.823 13.476 -6.990 1.00 1.42 H new ATOM 0 HE21 GLN A 75 23.430 13.760 -8.564 1.00 2.77 H new ATOM 0 HE22 GLN A 75 23.114 13.839 -10.300 1.00 2.77 H new ATOM 1172 N GLN A 76 20.043 9.052 -5.845 1.00 0.86 N ATOM 1173 CA GLN A 76 19.073 7.962 -5.541 1.00 0.78 C ATOM 1174 C GLN A 76 18.637 8.045 -4.075 1.00 0.79 C ATOM 1175 O GLN A 76 17.562 7.608 -3.714 1.00 0.78 O ATOM 1176 CB GLN A 76 19.737 6.607 -5.793 1.00 0.77 C ATOM 1177 CG GLN A 76 19.003 5.881 -6.922 1.00 0.61 C ATOM 1178 CD GLN A 76 19.944 4.866 -7.573 1.00 1.61 C ATOM 1179 OE1 GLN A 76 20.355 3.911 -6.944 1.00 2.33 O ATOM 1180 NE2 GLN A 76 20.305 5.034 -8.816 1.00 2.34 N ATOM 0 H GLN A 76 20.961 8.740 -6.162 1.00 0.86 H new ATOM 0 HA GLN A 76 18.199 8.071 -6.183 1.00 0.78 H new ATOM 0 HB2 GLN A 76 20.785 6.747 -6.058 1.00 0.77 H new ATOM 0 HB3 GLN A 76 19.715 6.005 -4.885 1.00 0.77 H new ATOM 0 HG2 GLN A 76 18.121 5.375 -6.530 1.00 0.61 H new ATOM 0 HG3 GLN A 76 18.655 6.599 -7.665 1.00 0.61 H new ATOM 0 HE21 GLN A 76 19.960 5.836 -9.343 1.00 2.34 H new ATOM 0 HE22 GLN A 76 20.932 4.363 -9.260 1.00 2.34 H new ATOM 1189 N PHE A 77 19.462 8.595 -3.225 1.00 0.84 N ATOM 1190 CA PHE A 77 19.091 8.695 -1.786 1.00 0.89 C ATOM 1191 C PHE A 77 17.924 9.670 -1.612 1.00 0.88 C ATOM 1192 O PHE A 77 16.904 9.336 -1.042 1.00 0.88 O ATOM 1193 CB PHE A 77 20.294 9.198 -0.987 1.00 1.02 C ATOM 1194 CG PHE A 77 19.809 9.973 0.214 1.00 0.56 C ATOM 1195 CD1 PHE A 77 19.382 9.294 1.362 1.00 1.90 C ATOM 1196 CD2 PHE A 77 19.785 11.372 0.181 1.00 1.51 C ATOM 1197 CE1 PHE A 77 18.931 10.013 2.474 1.00 2.81 C ATOM 1198 CE2 PHE A 77 19.334 12.092 1.294 1.00 2.58 C ATOM 1199 CZ PHE A 77 18.907 11.412 2.441 1.00 3.00 C ATOM 0 H PHE A 77 20.376 8.979 -3.466 1.00 0.84 H new ATOM 0 HA PHE A 77 18.792 7.711 -1.425 1.00 0.89 H new ATOM 0 HB2 PHE A 77 20.909 8.357 -0.667 1.00 1.02 H new ATOM 0 HB3 PHE A 77 20.922 9.832 -1.614 1.00 1.02 H new ATOM 0 HD1 PHE A 77 19.401 8.214 1.389 1.00 1.90 H new ATOM 0 HD2 PHE A 77 20.115 11.897 -0.704 1.00 1.51 H new ATOM 0 HE1 PHE A 77 18.601 9.488 3.358 1.00 2.81 H new ATOM 0 HE2 PHE A 77 19.316 13.172 1.268 1.00 2.58 H new ATOM 0 HZ PHE A 77 18.559 11.967 3.300 1.00 3.00 H new ATOM 1209 N HIS A 78 18.067 10.876 -2.091 1.00 0.97 N ATOM 1210 CA HIS A 78 16.967 11.872 -1.943 1.00 1.00 C ATOM 1211 C HIS A 78 15.676 11.316 -2.550 1.00 0.88 C ATOM 1212 O HIS A 78 14.614 11.413 -1.969 1.00 0.91 O ATOM 1213 CB HIS A 78 17.353 13.166 -2.665 1.00 1.09 C ATOM 1214 CG HIS A 78 16.693 14.337 -1.987 1.00 1.60 C ATOM 1215 ND1 HIS A 78 15.671 14.181 -1.063 1.00 2.63 N ATOM 1216 CD2 HIS A 78 16.901 15.691 -2.090 1.00 1.70 C ATOM 1217 CE1 HIS A 78 15.307 15.409 -0.650 1.00 2.87 C ATOM 1218 NE2 HIS A 78 16.025 16.365 -1.244 1.00 2.26 N ATOM 0 H HIS A 78 18.897 11.215 -2.578 1.00 0.97 H new ATOM 0 HA HIS A 78 16.807 12.076 -0.884 1.00 1.00 H new ATOM 0 HB2 HIS A 78 18.436 13.290 -2.656 1.00 1.09 H new ATOM 0 HB3 HIS A 78 17.046 13.117 -3.710 1.00 1.09 H new ATOM 0 HD2 HIS A 78 17.633 16.161 -2.730 1.00 1.70 H new ATOM 0 HE1 HIS A 78 14.528 15.598 0.074 1.00 2.87 H new ATOM 0 HE2 HIS A 78 15.948 17.373 -1.107 1.00 2.26 H new ATOM 1226 N ARG A 79 15.759 10.740 -3.716 1.00 0.77 N ATOM 1227 CA ARG A 79 14.534 10.184 -4.362 1.00 0.69 C ATOM 1228 C ARG A 79 13.877 9.170 -3.425 1.00 0.53 C ATOM 1229 O ARG A 79 12.671 9.124 -3.293 1.00 0.52 O ATOM 1230 CB ARG A 79 14.917 9.489 -5.672 1.00 0.74 C ATOM 1231 CG ARG A 79 14.367 10.281 -6.864 1.00 0.53 C ATOM 1232 CD ARG A 79 13.642 9.333 -7.823 1.00 0.90 C ATOM 1233 NE ARG A 79 14.552 8.957 -8.956 1.00 1.94 N ATOM 1234 CZ ARG A 79 15.145 9.861 -9.702 1.00 2.09 C ATOM 1235 NH1 ARG A 79 14.815 11.128 -9.633 1.00 1.53 N ATOM 1236 NH2 ARG A 79 16.037 9.482 -10.577 1.00 3.24 N ATOM 0 H ARG A 79 16.620 10.629 -4.251 1.00 0.77 H new ATOM 0 HA ARG A 79 13.836 10.995 -4.569 1.00 0.69 H new ATOM 0 HB2 ARG A 79 16.001 9.408 -5.747 1.00 0.74 H new ATOM 0 HB3 ARG A 79 14.520 8.474 -5.685 1.00 0.74 H new ATOM 0 HG2 ARG A 79 13.682 11.054 -6.515 1.00 0.53 H new ATOM 0 HG3 ARG A 79 15.181 10.787 -7.383 1.00 0.53 H new ATOM 0 HD2 ARG A 79 13.322 8.438 -7.290 1.00 0.90 H new ATOM 0 HD3 ARG A 79 12.743 9.812 -8.211 1.00 0.90 H new ATOM 0 HE ARG A 79 14.715 7.969 -9.153 1.00 1.94 H new ATOM 0 HH11 ARG A 79 14.083 11.430 -8.990 1.00 1.53 H new ATOM 0 HH12 ARG A 79 15.290 11.812 -10.223 1.00 1.53 H new ATOM 0 HH21 ARG A 79 16.267 8.493 -10.676 1.00 3.24 H new ATOM 0 HH22 ARG A 79 16.504 10.175 -11.162 1.00 3.24 H new ATOM 1250 N HIS A 80 14.659 8.354 -2.776 1.00 0.58 N ATOM 1251 CA HIS A 80 14.075 7.344 -1.851 1.00 0.48 C ATOM 1252 C HIS A 80 13.309 8.059 -0.735 1.00 0.42 C ATOM 1253 O HIS A 80 12.263 7.618 -0.298 1.00 0.38 O ATOM 1254 CB HIS A 80 15.199 6.502 -1.242 1.00 0.50 C ATOM 1255 CG HIS A 80 14.613 5.314 -0.527 1.00 0.52 C ATOM 1256 ND1 HIS A 80 13.258 5.023 -0.557 1.00 0.47 N ATOM 1257 CD2 HIS A 80 15.189 4.333 0.241 1.00 1.03 C ATOM 1258 CE1 HIS A 80 13.066 3.907 0.169 1.00 0.63 C ATOM 1259 NE2 HIS A 80 14.211 3.444 0.679 1.00 0.88 N ATOM 0 H HIS A 80 15.677 8.343 -2.846 1.00 0.58 H new ATOM 0 HA HIS A 80 13.393 6.696 -2.402 1.00 0.48 H new ATOM 0 HB2 HIS A 80 15.881 6.168 -2.024 1.00 0.50 H new ATOM 0 HB3 HIS A 80 15.783 7.105 -0.547 1.00 0.50 H new ATOM 0 HD2 HIS A 80 16.242 4.261 0.471 1.00 1.03 H new ATOM 0 HE1 HIS A 80 12.103 3.442 0.321 1.00 0.63 H new ATOM 0 HE2 HIS A 80 14.341 2.618 1.263 1.00 0.88 H new ATOM 1267 N LYS A 81 13.824 9.162 -0.268 1.00 0.45 N ATOM 1268 CA LYS A 81 13.134 9.908 0.821 1.00 0.39 C ATOM 1269 C LYS A 81 11.692 10.209 0.412 1.00 0.44 C ATOM 1270 O LYS A 81 10.779 10.126 1.210 1.00 0.55 O ATOM 1271 CB LYS A 81 13.872 11.222 1.081 1.00 0.37 C ATOM 1272 CG LYS A 81 14.247 11.311 2.560 1.00 0.68 C ATOM 1273 CD LYS A 81 14.040 12.744 3.055 1.00 0.36 C ATOM 1274 CE LYS A 81 15.341 13.532 2.900 1.00 1.04 C ATOM 1275 NZ LYS A 81 15.423 14.569 3.967 1.00 1.12 N ATOM 0 H LYS A 81 14.695 9.580 -0.594 1.00 0.45 H new ATOM 0 HA LYS A 81 13.131 9.301 1.727 1.00 0.39 H new ATOM 0 HB2 LYS A 81 14.769 11.276 0.463 1.00 0.37 H new ATOM 0 HB3 LYS A 81 13.242 12.067 0.803 1.00 0.37 H new ATOM 0 HG2 LYS A 81 13.636 10.622 3.143 1.00 0.68 H new ATOM 0 HG3 LYS A 81 15.286 11.013 2.701 1.00 0.68 H new ATOM 0 HD2 LYS A 81 13.242 13.224 2.488 1.00 0.36 H new ATOM 0 HD3 LYS A 81 13.729 12.737 4.100 1.00 0.36 H new ATOM 0 HE2 LYS A 81 16.196 12.859 2.965 1.00 1.04 H new ATOM 0 HE3 LYS A 81 15.379 14.002 1.917 1.00 1.04 H new ATOM 0 HZ1 LYS A 81 16.308 15.106 3.862 1.00 1.12 H new ATOM 0 HZ2 LYS A 81 14.613 15.217 3.885 1.00 1.12 H new ATOM 0 HZ3 LYS A 81 15.405 14.109 4.900 1.00 1.12 H new ATOM 1289 N GLN A 82 11.480 10.561 -0.823 1.00 0.41 N ATOM 1290 CA GLN A 82 10.097 10.874 -1.283 1.00 0.47 C ATOM 1291 C GLN A 82 9.201 9.648 -1.093 1.00 0.32 C ATOM 1292 O GLN A 82 8.095 9.746 -0.596 1.00 0.31 O ATOM 1293 CB GLN A 82 10.132 11.263 -2.761 1.00 0.67 C ATOM 1294 CG GLN A 82 10.213 12.786 -2.884 1.00 0.64 C ATOM 1295 CD GLN A 82 9.743 13.211 -4.276 1.00 1.27 C ATOM 1296 OE1 GLN A 82 10.490 13.137 -5.231 1.00 2.46 O ATOM 1297 NE2 GLN A 82 8.527 13.654 -4.433 1.00 0.76 N ATOM 0 H GLN A 82 12.204 10.646 -1.536 1.00 0.41 H new ATOM 0 HA GLN A 82 9.697 11.702 -0.698 1.00 0.47 H new ATOM 0 HB2 GLN A 82 10.990 10.802 -3.250 1.00 0.67 H new ATOM 0 HB3 GLN A 82 9.240 10.893 -3.267 1.00 0.67 H new ATOM 0 HG2 GLN A 82 9.594 13.257 -2.120 1.00 0.64 H new ATOM 0 HG3 GLN A 82 11.236 13.121 -2.716 1.00 0.64 H new ATOM 0 HE21 GLN A 82 7.899 13.716 -3.631 1.00 0.76 H new ATOM 0 HE22 GLN A 82 8.203 13.938 -5.358 1.00 0.76 H new ATOM 1306 N LEU A 83 9.666 8.494 -1.486 1.00 0.31 N ATOM 1307 CA LEU A 83 8.839 7.264 -1.329 1.00 0.20 C ATOM 1308 C LEU A 83 8.450 7.088 0.141 1.00 0.10 C ATOM 1309 O LEU A 83 7.372 6.625 0.457 1.00 0.14 O ATOM 1310 CB LEU A 83 9.645 6.047 -1.787 1.00 0.30 C ATOM 1311 CG LEU A 83 8.739 4.815 -1.823 1.00 0.34 C ATOM 1312 CD1 LEU A 83 8.560 4.355 -3.271 1.00 0.42 C ATOM 1313 CD2 LEU A 83 9.378 3.687 -1.009 1.00 0.46 C ATOM 0 H LEU A 83 10.583 8.350 -1.909 1.00 0.31 H new ATOM 0 HA LEU A 83 7.937 7.357 -1.934 1.00 0.20 H new ATOM 0 HB2 LEU A 83 10.068 6.229 -2.775 1.00 0.30 H new ATOM 0 HB3 LEU A 83 10.481 5.876 -1.109 1.00 0.30 H new ATOM 0 HG LEU A 83 7.768 5.068 -1.397 1.00 0.34 H new ATOM 0 HD11 LEU A 83 7.914 3.477 -3.297 1.00 0.42 H new ATOM 0 HD12 LEU A 83 8.106 5.156 -3.854 1.00 0.42 H new ATOM 0 HD13 LEU A 83 9.532 4.103 -3.696 1.00 0.42 H new ATOM 0 HD21 LEU A 83 8.732 2.809 -1.035 1.00 0.46 H new ATOM 0 HD22 LEU A 83 10.349 3.436 -1.435 1.00 0.46 H new ATOM 0 HD23 LEU A 83 9.508 4.012 0.023 1.00 0.46 H new ATOM 1325 N ILE A 84 9.323 7.447 1.042 1.00 0.20 N ATOM 1326 CA ILE A 84 9.008 7.291 2.491 1.00 0.38 C ATOM 1327 C ILE A 84 7.804 8.160 2.866 1.00 0.35 C ATOM 1328 O ILE A 84 6.943 7.749 3.615 1.00 0.36 O ATOM 1329 CB ILE A 84 10.219 7.715 3.323 1.00 0.59 C ATOM 1330 CG1 ILE A 84 11.477 7.039 2.773 1.00 0.73 C ATOM 1331 CG2 ILE A 84 10.012 7.295 4.779 1.00 0.65 C ATOM 1332 CD1 ILE A 84 11.158 5.592 2.392 1.00 0.68 C ATOM 0 H ILE A 84 10.241 7.842 0.838 1.00 0.20 H new ATOM 0 HA ILE A 84 8.769 6.247 2.692 1.00 0.38 H new ATOM 0 HB ILE A 84 10.334 8.798 3.270 1.00 0.59 H new ATOM 0 HG12 ILE A 84 11.843 7.583 1.902 1.00 0.73 H new ATOM 0 HG13 ILE A 84 12.271 7.062 3.520 1.00 0.73 H new ATOM 0 HG21 ILE A 84 10.876 7.598 5.371 1.00 0.65 H new ATOM 0 HG22 ILE A 84 9.116 7.775 5.172 1.00 0.65 H new ATOM 0 HG23 ILE A 84 9.897 6.212 4.833 1.00 0.65 H new ATOM 0 HD11 ILE A 84 12.055 5.113 2.001 1.00 0.68 H new ATOM 0 HD12 ILE A 84 10.813 5.051 3.273 1.00 0.68 H new ATOM 0 HD13 ILE A 84 10.378 5.580 1.630 1.00 0.68 H new ATOM 1344 N ARG A 85 7.739 9.361 2.359 1.00 0.38 N ATOM 1345 CA ARG A 85 6.591 10.250 2.702 1.00 0.46 C ATOM 1346 C ARG A 85 5.285 9.637 2.188 1.00 0.34 C ATOM 1347 O ARG A 85 4.354 9.410 2.938 1.00 0.27 O ATOM 1348 CB ARG A 85 6.797 11.622 2.057 1.00 0.62 C ATOM 1349 CG ARG A 85 7.827 12.416 2.862 1.00 0.87 C ATOM 1350 CD ARG A 85 7.667 13.907 2.561 1.00 0.97 C ATOM 1351 NE ARG A 85 7.320 14.632 3.816 1.00 0.84 N ATOM 1352 CZ ARG A 85 7.402 15.940 3.887 1.00 1.36 C ATOM 1353 NH1 ARG A 85 7.785 16.657 2.857 1.00 1.81 N ATOM 1354 NH2 ARG A 85 7.094 16.539 5.004 1.00 1.63 N ATOM 0 H ARG A 85 8.428 9.765 1.724 1.00 0.38 H new ATOM 0 HA ARG A 85 6.535 10.359 3.785 1.00 0.46 H new ATOM 0 HB2 ARG A 85 7.137 11.504 1.028 1.00 0.62 H new ATOM 0 HB3 ARG A 85 5.852 12.164 2.021 1.00 0.62 H new ATOM 0 HG2 ARG A 85 7.692 12.232 3.928 1.00 0.87 H new ATOM 0 HG3 ARG A 85 8.835 12.088 2.607 1.00 0.87 H new ATOM 0 HD2 ARG A 85 8.591 14.306 2.142 1.00 0.97 H new ATOM 0 HD3 ARG A 85 6.887 14.057 1.814 1.00 0.97 H new ATOM 0 HE ARG A 85 7.014 14.103 4.633 1.00 0.84 H new ATOM 0 HH11 ARG A 85 8.026 16.199 1.978 1.00 1.81 H new ATOM 0 HH12 ARG A 85 7.841 17.672 2.935 1.00 1.81 H new ATOM 0 HH21 ARG A 85 6.793 15.991 5.810 1.00 1.63 H new ATOM 0 HH22 ARG A 85 7.154 17.555 5.071 1.00 1.63 H new ATOM 1368 N PHE A 86 5.208 9.377 0.915 1.00 0.39 N ATOM 1369 CA PHE A 86 3.962 8.785 0.347 1.00 0.30 C ATOM 1370 C PHE A 86 3.590 7.509 1.110 1.00 0.24 C ATOM 1371 O PHE A 86 2.440 7.120 1.160 1.00 0.48 O ATOM 1372 CB PHE A 86 4.190 8.444 -1.127 1.00 0.30 C ATOM 1373 CG PHE A 86 3.509 9.472 -1.997 1.00 0.35 C ATOM 1374 CD1 PHE A 86 4.003 10.781 -2.052 1.00 0.46 C ATOM 1375 CD2 PHE A 86 2.387 9.115 -2.752 1.00 0.79 C ATOM 1376 CE1 PHE A 86 3.373 11.733 -2.861 1.00 0.59 C ATOM 1377 CE2 PHE A 86 1.756 10.067 -3.562 1.00 0.83 C ATOM 1378 CZ PHE A 86 2.250 11.376 -3.617 1.00 0.58 C ATOM 0 H PHE A 86 5.954 9.548 0.240 1.00 0.39 H new ATOM 0 HA PHE A 86 3.150 9.506 0.440 1.00 0.30 H new ATOM 0 HB2 PHE A 86 5.258 8.420 -1.344 1.00 0.30 H new ATOM 0 HB3 PHE A 86 3.798 7.451 -1.346 1.00 0.30 H new ATOM 0 HD1 PHE A 86 4.870 11.056 -1.470 1.00 0.46 H new ATOM 0 HD2 PHE A 86 2.007 8.105 -2.710 1.00 0.79 H new ATOM 0 HE1 PHE A 86 3.753 12.743 -2.902 1.00 0.59 H new ATOM 0 HE2 PHE A 86 0.889 9.792 -4.144 1.00 0.83 H new ATOM 0 HZ PHE A 86 1.765 12.110 -4.243 1.00 0.58 H new ATOM 1388 N LEU A 87 4.553 6.847 1.694 1.00 0.26 N ATOM 1389 CA LEU A 87 4.254 5.590 2.440 1.00 0.36 C ATOM 1390 C LEU A 87 3.611 5.918 3.793 1.00 0.29 C ATOM 1391 O LEU A 87 2.732 5.221 4.258 1.00 0.32 O ATOM 1392 CB LEU A 87 5.559 4.821 2.669 1.00 0.56 C ATOM 1393 CG LEU A 87 5.290 3.315 2.611 1.00 0.33 C ATOM 1394 CD1 LEU A 87 4.107 2.970 3.517 1.00 1.50 C ATOM 1395 CD2 LEU A 87 4.966 2.907 1.171 1.00 1.23 C ATOM 0 H LEU A 87 5.535 7.123 1.687 1.00 0.26 H new ATOM 0 HA LEU A 87 3.561 4.983 1.858 1.00 0.36 H new ATOM 0 HB2 LEU A 87 6.293 5.098 1.912 1.00 0.56 H new ATOM 0 HB3 LEU A 87 5.984 5.087 3.637 1.00 0.56 H new ATOM 0 HG LEU A 87 6.175 2.777 2.950 1.00 0.33 H new ATOM 0 HD11 LEU A 87 3.917 1.898 3.475 1.00 1.50 H new ATOM 0 HD12 LEU A 87 4.338 3.257 4.543 1.00 1.50 H new ATOM 0 HD13 LEU A 87 3.222 3.509 3.180 1.00 1.50 H new ATOM 0 HD21 LEU A 87 4.775 1.835 1.131 1.00 1.23 H new ATOM 0 HD22 LEU A 87 4.082 3.446 0.830 1.00 1.23 H new ATOM 0 HD23 LEU A 87 5.810 3.149 0.525 1.00 1.23 H new ATOM 1407 N LYS A 88 4.050 6.966 4.433 1.00 0.33 N ATOM 1408 CA LYS A 88 3.473 7.328 5.760 1.00 0.33 C ATOM 1409 C LYS A 88 1.996 7.708 5.611 1.00 0.21 C ATOM 1410 O LYS A 88 1.163 7.310 6.402 1.00 0.15 O ATOM 1411 CB LYS A 88 4.245 8.514 6.344 1.00 0.47 C ATOM 1412 CG LYS A 88 5.681 8.087 6.654 1.00 0.55 C ATOM 1413 CD LYS A 88 6.388 9.192 7.445 1.00 0.74 C ATOM 1414 CE LYS A 88 7.500 8.581 8.299 1.00 0.87 C ATOM 1415 NZ LYS A 88 7.023 8.424 9.703 1.00 1.38 N ATOM 0 H LYS A 88 4.784 7.589 4.095 1.00 0.33 H new ATOM 0 HA LYS A 88 3.553 6.469 6.427 1.00 0.33 H new ATOM 0 HB2 LYS A 88 4.246 9.344 5.638 1.00 0.47 H new ATOM 0 HB3 LYS A 88 3.756 8.868 7.251 1.00 0.47 H new ATOM 0 HG2 LYS A 88 5.679 7.160 7.227 1.00 0.55 H new ATOM 0 HG3 LYS A 88 6.220 7.888 5.728 1.00 0.55 H new ATOM 0 HD2 LYS A 88 6.805 9.932 6.762 1.00 0.74 H new ATOM 0 HD3 LYS A 88 5.672 9.713 8.081 1.00 0.74 H new ATOM 0 HE2 LYS A 88 7.793 7.613 7.893 1.00 0.87 H new ATOM 0 HE3 LYS A 88 8.384 9.218 8.274 1.00 0.87 H new ATOM 0 HZ1 LYS A 88 7.835 8.458 10.351 1.00 1.38 H new ATOM 0 HZ2 LYS A 88 6.364 9.194 9.934 1.00 1.38 H new ATOM 0 HZ3 LYS A 88 6.537 7.510 9.804 1.00 1.38 H new ATOM 1429 N ARG A 89 1.663 8.482 4.616 1.00 0.23 N ATOM 1430 CA ARG A 89 0.241 8.892 4.436 1.00 0.21 C ATOM 1431 C ARG A 89 -0.602 7.693 3.988 1.00 0.28 C ATOM 1432 O ARG A 89 -1.615 7.379 4.579 1.00 0.36 O ATOM 1433 CB ARG A 89 0.159 9.993 3.377 1.00 0.27 C ATOM 1434 CG ARG A 89 1.202 11.073 3.679 1.00 1.66 C ATOM 1435 CD ARG A 89 0.616 12.451 3.364 1.00 1.59 C ATOM 1436 NE ARG A 89 0.558 12.641 1.886 1.00 1.53 N ATOM 1437 CZ ARG A 89 -0.163 13.602 1.356 1.00 1.08 C ATOM 1438 NH1 ARG A 89 -0.852 14.430 2.105 1.00 1.08 N ATOM 1439 NH2 ARG A 89 -0.195 13.739 0.058 1.00 1.28 N ATOM 0 H ARG A 89 2.313 8.848 3.920 1.00 0.23 H new ATOM 0 HA ARG A 89 -0.144 9.263 5.386 1.00 0.21 H new ATOM 0 HB2 ARG A 89 0.332 9.573 2.386 1.00 0.27 H new ATOM 0 HB3 ARG A 89 -0.840 10.430 3.368 1.00 0.27 H new ATOM 0 HG2 ARG A 89 1.500 11.023 4.726 1.00 1.66 H new ATOM 0 HG3 ARG A 89 2.100 10.903 3.084 1.00 1.66 H new ATOM 0 HD2 ARG A 89 -0.382 12.540 3.792 1.00 1.59 H new ATOM 0 HD3 ARG A 89 1.228 13.231 3.818 1.00 1.59 H new ATOM 0 HE ARG A 89 1.086 12.015 1.278 1.00 1.53 H new ATOM 0 HH11 ARG A 89 -0.834 14.334 3.120 1.00 1.08 H new ATOM 0 HH12 ARG A 89 -1.405 15.169 1.672 1.00 1.08 H new ATOM 0 HH21 ARG A 89 0.337 13.102 -0.535 1.00 1.28 H new ATOM 0 HH22 ARG A 89 -0.752 14.483 -0.363 1.00 1.28 H new ATOM 1453 N LEU A 90 -0.196 7.031 2.944 1.00 0.45 N ATOM 1454 CA LEU A 90 -0.977 5.860 2.447 1.00 0.60 C ATOM 1455 C LEU A 90 -1.084 4.781 3.533 1.00 0.63 C ATOM 1456 O LEU A 90 -1.949 3.928 3.484 1.00 0.70 O ATOM 1457 CB LEU A 90 -0.276 5.269 1.222 1.00 0.67 C ATOM 1458 CG LEU A 90 -1.298 4.535 0.353 1.00 0.72 C ATOM 1459 CD1 LEU A 90 -1.495 5.292 -0.960 1.00 1.43 C ATOM 1460 CD2 LEU A 90 -0.792 3.123 0.051 1.00 0.83 C ATOM 0 H LEU A 90 0.645 7.248 2.410 1.00 0.45 H new ATOM 0 HA LEU A 90 -1.980 6.195 2.183 1.00 0.60 H new ATOM 0 HB2 LEU A 90 0.204 6.061 0.647 1.00 0.67 H new ATOM 0 HB3 LEU A 90 0.510 4.582 1.536 1.00 0.67 H new ATOM 0 HG LEU A 90 -2.247 4.478 0.886 1.00 0.72 H new ATOM 0 HD11 LEU A 90 -2.224 4.767 -1.577 1.00 1.43 H new ATOM 0 HD12 LEU A 90 -1.857 6.298 -0.749 1.00 1.43 H new ATOM 0 HD13 LEU A 90 -0.545 5.352 -1.492 1.00 1.43 H new ATOM 0 HD21 LEU A 90 -1.521 2.600 -0.568 1.00 0.83 H new ATOM 0 HD22 LEU A 90 0.159 3.183 -0.479 1.00 0.83 H new ATOM 0 HD23 LEU A 90 -0.653 2.579 0.985 1.00 0.83 H new ATOM 1472 N ASP A 91 -0.210 4.794 4.504 1.00 0.59 N ATOM 1473 CA ASP A 91 -0.267 3.749 5.566 1.00 0.65 C ATOM 1474 C ASP A 91 -1.477 3.976 6.477 1.00 0.62 C ATOM 1475 O ASP A 91 -2.409 3.197 6.492 1.00 0.92 O ATOM 1476 CB ASP A 91 1.012 3.809 6.402 1.00 0.67 C ATOM 1477 CG ASP A 91 0.750 3.198 7.780 1.00 0.46 C ATOM 1478 OD1 ASP A 91 0.623 1.988 7.855 1.00 1.02 O ATOM 1479 OD2 ASP A 91 0.680 3.953 8.736 1.00 1.33 O ATOM 0 H ASP A 91 0.538 5.480 4.607 1.00 0.59 H new ATOM 0 HA ASP A 91 -0.360 2.771 5.093 1.00 0.65 H new ATOM 0 HB2 ASP A 91 1.814 3.268 5.899 1.00 0.67 H new ATOM 0 HB3 ASP A 91 1.342 4.842 6.507 1.00 0.67 H new ATOM 1484 N ARG A 92 -1.460 5.026 7.249 1.00 0.45 N ATOM 1485 CA ARG A 92 -2.598 5.295 8.178 1.00 0.45 C ATOM 1486 C ARG A 92 -3.891 5.553 7.392 1.00 0.41 C ATOM 1487 O ARG A 92 -4.974 5.476 7.936 1.00 0.38 O ATOM 1488 CB ARG A 92 -2.270 6.523 9.033 1.00 0.48 C ATOM 1489 CG ARG A 92 -3.484 6.899 9.886 1.00 1.02 C ATOM 1490 CD ARG A 92 -3.132 8.088 10.782 1.00 2.09 C ATOM 1491 NE ARG A 92 -3.868 9.299 10.314 1.00 3.50 N ATOM 1492 CZ ARG A 92 -3.966 10.366 11.072 1.00 4.34 C ATOM 1493 NH1 ARG A 92 -3.409 10.412 12.259 1.00 4.27 N ATOM 1494 NH2 ARG A 92 -4.627 11.403 10.635 1.00 5.60 N ATOM 0 H ARG A 92 -0.706 5.713 7.278 1.00 0.45 H new ATOM 0 HA ARG A 92 -2.746 4.423 8.814 1.00 0.45 H new ATOM 0 HB2 ARG A 92 -1.414 6.313 9.674 1.00 0.48 H new ATOM 0 HB3 ARG A 92 -1.991 7.360 8.393 1.00 0.48 H new ATOM 0 HG2 ARG A 92 -4.328 7.151 9.244 1.00 1.02 H new ATOM 0 HG3 ARG A 92 -3.790 6.049 10.496 1.00 1.02 H new ATOM 0 HD2 ARG A 92 -3.394 7.867 11.817 1.00 2.09 H new ATOM 0 HD3 ARG A 92 -2.058 8.270 10.757 1.00 2.09 H new ATOM 0 HE ARG A 92 -4.302 9.297 9.391 1.00 3.50 H new ATOM 0 HH11 ARG A 92 -2.887 9.608 12.609 1.00 4.27 H new ATOM 0 HH12 ARG A 92 -3.498 11.251 12.832 1.00 4.27 H new ATOM 0 HH21 ARG A 92 -5.061 11.379 9.712 1.00 5.60 H new ATOM 0 HH22 ARG A 92 -4.709 12.237 11.216 1.00 5.60 H new ATOM 1508 N ASN A 93 -3.800 5.870 6.129 1.00 0.45 N ATOM 1509 CA ASN A 93 -5.039 6.143 5.345 1.00 0.43 C ATOM 1510 C ASN A 93 -5.664 4.831 4.866 1.00 0.43 C ATOM 1511 O ASN A 93 -6.865 4.731 4.705 1.00 0.41 O ATOM 1512 CB ASN A 93 -4.694 7.014 4.135 1.00 0.46 C ATOM 1513 CG ASN A 93 -4.456 8.453 4.595 1.00 0.62 C ATOM 1514 OD1 ASN A 93 -3.440 9.043 4.285 1.00 1.63 O ATOM 1515 ND2 ASN A 93 -5.358 9.048 5.326 1.00 0.71 N ATOM 0 H ASN A 93 -2.927 5.952 5.608 1.00 0.45 H new ATOM 0 HA ASN A 93 -5.754 6.663 5.983 1.00 0.43 H new ATOM 0 HB2 ASN A 93 -3.804 6.628 3.637 1.00 0.46 H new ATOM 0 HB3 ASN A 93 -5.505 6.983 3.408 1.00 0.46 H new ATOM 0 HD21 ASN A 93 -5.210 10.008 5.637 1.00 0.71 H new ATOM 0 HD22 ASN A 93 -6.211 8.553 5.586 1.00 0.71 H new ATOM 1522 N LEU A 94 -4.868 3.828 4.626 1.00 0.48 N ATOM 1523 CA LEU A 94 -5.429 2.533 4.147 1.00 0.51 C ATOM 1524 C LEU A 94 -6.277 1.886 5.246 1.00 0.41 C ATOM 1525 O LEU A 94 -7.460 1.664 5.079 1.00 0.34 O ATOM 1526 CB LEU A 94 -4.281 1.591 3.776 1.00 0.62 C ATOM 1527 CG LEU A 94 -4.327 1.300 2.276 1.00 0.50 C ATOM 1528 CD1 LEU A 94 -3.660 2.448 1.513 1.00 1.22 C ATOM 1529 CD2 LEU A 94 -3.581 -0.005 1.987 1.00 0.79 C ATOM 0 H LEU A 94 -3.855 3.848 4.740 1.00 0.48 H new ATOM 0 HA LEU A 94 -6.056 2.718 3.275 1.00 0.51 H new ATOM 0 HB2 LEU A 94 -3.325 2.043 4.041 1.00 0.62 H new ATOM 0 HB3 LEU A 94 -4.361 0.662 4.340 1.00 0.62 H new ATOM 0 HG LEU A 94 -5.365 1.205 1.956 1.00 0.50 H new ATOM 0 HD11 LEU A 94 -3.692 2.241 0.443 1.00 1.22 H new ATOM 0 HD12 LEU A 94 -4.190 3.378 1.719 1.00 1.22 H new ATOM 0 HD13 LEU A 94 -2.622 2.543 1.833 1.00 1.22 H new ATOM 0 HD21 LEU A 94 -3.613 -0.213 0.918 1.00 0.79 H new ATOM 0 HD22 LEU A 94 -2.543 0.091 2.307 1.00 0.79 H new ATOM 0 HD23 LEU A 94 -4.054 -0.823 2.530 1.00 0.79 H new ATOM 1541 N TRP A 95 -5.680 1.572 6.361 1.00 0.42 N ATOM 1542 CA TRP A 95 -6.450 0.925 7.464 1.00 0.36 C ATOM 1543 C TRP A 95 -7.187 1.978 8.295 1.00 0.24 C ATOM 1544 O TRP A 95 -8.137 1.669 8.985 1.00 0.24 O ATOM 1545 CB TRP A 95 -5.486 0.169 8.369 1.00 0.47 C ATOM 1546 CG TRP A 95 -4.964 1.097 9.413 1.00 0.51 C ATOM 1547 CD1 TRP A 95 -3.958 1.973 9.224 1.00 1.39 C ATOM 1548 CD2 TRP A 95 -5.401 1.262 10.791 1.00 0.76 C ATOM 1549 NE1 TRP A 95 -3.741 2.668 10.401 1.00 1.87 N ATOM 1550 CE2 TRP A 95 -4.607 2.264 11.398 1.00 1.43 C ATOM 1551 CE3 TRP A 95 -6.396 0.643 11.567 1.00 1.21 C ATOM 1552 CZ2 TRP A 95 -4.796 2.641 12.728 1.00 1.80 C ATOM 1553 CZ3 TRP A 95 -6.590 1.020 12.907 1.00 1.63 C ATOM 1554 CH2 TRP A 95 -5.791 2.015 13.486 1.00 1.72 C ATOM 0 H TRP A 95 -4.693 1.734 6.558 1.00 0.42 H new ATOM 0 HA TRP A 95 -7.179 0.242 7.029 1.00 0.36 H new ATOM 0 HB2 TRP A 95 -5.993 -0.675 8.836 1.00 0.47 H new ATOM 0 HB3 TRP A 95 -4.662 -0.239 7.783 1.00 0.47 H new ATOM 0 HD1 TRP A 95 -3.410 2.111 8.304 1.00 1.39 H new ATOM 0 HE1 TRP A 95 -3.029 3.389 10.518 1.00 1.87 H new ATOM 0 HE3 TRP A 95 -7.015 -0.127 11.131 1.00 1.21 H new ATOM 0 HZ2 TRP A 95 -4.179 3.410 13.169 1.00 1.80 H new ATOM 0 HZ3 TRP A 95 -7.359 0.540 13.494 1.00 1.63 H new ATOM 0 HH2 TRP A 95 -5.943 2.298 14.517 1.00 1.72 H new ATOM 1565 N GLY A 96 -6.743 3.207 8.251 1.00 0.28 N ATOM 1566 CA GLY A 96 -7.411 4.288 9.046 1.00 0.34 C ATOM 1567 C GLY A 96 -8.926 4.232 8.831 1.00 0.33 C ATOM 1568 O GLY A 96 -9.702 4.420 9.747 1.00 0.42 O ATOM 0 H GLY A 96 -5.943 3.513 7.697 1.00 0.28 H new ATOM 0 HA2 GLY A 96 -7.180 4.168 10.105 1.00 0.34 H new ATOM 0 HA3 GLY A 96 -7.028 5.263 8.745 1.00 0.34 H new ATOM 1572 N LEU A 97 -9.349 3.956 7.629 1.00 0.26 N ATOM 1573 CA LEU A 97 -10.811 3.866 7.351 1.00 0.31 C ATOM 1574 C LEU A 97 -11.276 2.423 7.583 1.00 0.17 C ATOM 1575 O LEU A 97 -12.426 2.171 7.881 1.00 0.10 O ATOM 1576 CB LEU A 97 -11.078 4.261 5.897 1.00 0.46 C ATOM 1577 CG LEU A 97 -12.584 4.248 5.626 1.00 0.82 C ATOM 1578 CD1 LEU A 97 -13.089 5.682 5.479 1.00 1.43 C ATOM 1579 CD2 LEU A 97 -12.858 3.475 4.334 1.00 0.92 C ATOM 0 H LEU A 97 -8.744 3.788 6.825 1.00 0.26 H new ATOM 0 HA LEU A 97 -11.355 4.539 8.014 1.00 0.31 H new ATOM 0 HB2 LEU A 97 -10.672 5.253 5.699 1.00 0.46 H new ATOM 0 HB3 LEU A 97 -10.572 3.569 5.224 1.00 0.46 H new ATOM 0 HG LEU A 97 -13.100 3.767 6.457 1.00 0.82 H new ATOM 0 HD11 LEU A 97 -14.162 5.672 5.286 1.00 1.43 H new ATOM 0 HD12 LEU A 97 -12.891 6.234 6.398 1.00 1.43 H new ATOM 0 HD13 LEU A 97 -12.575 6.165 4.648 1.00 1.43 H new ATOM 0 HD21 LEU A 97 -13.930 3.463 4.137 1.00 0.92 H new ATOM 0 HD22 LEU A 97 -12.342 3.958 3.504 1.00 0.92 H new ATOM 0 HD23 LEU A 97 -12.497 2.452 4.439 1.00 0.92 H new ATOM 1591 N ALA A 98 -10.384 1.475 7.446 1.00 0.16 N ATOM 1592 CA ALA A 98 -10.760 0.048 7.654 1.00 0.19 C ATOM 1593 C ALA A 98 -11.436 -0.118 9.016 1.00 0.22 C ATOM 1594 O ALA A 98 -12.530 -0.636 9.118 1.00 0.39 O ATOM 1595 CB ALA A 98 -9.495 -0.814 7.605 1.00 0.20 C ATOM 0 H ALA A 98 -9.407 1.631 7.198 1.00 0.16 H new ATOM 0 HA ALA A 98 -11.452 -0.263 6.872 1.00 0.19 H new ATOM 0 HB1 ALA A 98 -9.761 -1.860 7.756 1.00 0.20 H new ATOM 0 HB2 ALA A 98 -9.014 -0.699 6.634 1.00 0.20 H new ATOM 0 HB3 ALA A 98 -8.808 -0.497 8.390 1.00 0.20 H new ATOM 1601 N GLY A 99 -10.792 0.313 10.063 1.00 0.22 N ATOM 1602 CA GLY A 99 -11.393 0.178 11.421 1.00 0.43 C ATOM 1603 C GLY A 99 -10.919 -1.130 12.061 1.00 0.38 C ATOM 1604 O GLY A 99 -11.639 -1.768 12.803 1.00 0.54 O ATOM 0 H GLY A 99 -9.873 0.754 10.038 1.00 0.22 H new ATOM 0 HA2 GLY A 99 -11.105 1.025 12.044 1.00 0.43 H new ATOM 0 HA3 GLY A 99 -12.481 0.188 11.352 1.00 0.43 H new ATOM 1608 N LEU A 100 -9.710 -1.534 11.774 1.00 0.45 N ATOM 1609 CA LEU A 100 -9.183 -2.800 12.358 1.00 0.53 C ATOM 1610 C LEU A 100 -7.697 -2.624 12.685 1.00 1.07 C ATOM 1611 O LEU A 100 -6.842 -2.803 11.841 1.00 1.98 O ATOM 1612 CB LEU A 100 -9.350 -3.935 11.346 1.00 0.95 C ATOM 1613 CG LEU A 100 -10.404 -4.920 11.850 1.00 1.04 C ATOM 1614 CD1 LEU A 100 -10.914 -5.766 10.682 1.00 1.68 C ATOM 1615 CD2 LEU A 100 -9.782 -5.836 12.907 1.00 1.67 C ATOM 0 H LEU A 100 -9.064 -1.040 11.159 1.00 0.45 H new ATOM 0 HA LEU A 100 -9.733 -3.041 13.268 1.00 0.53 H new ATOM 0 HB2 LEU A 100 -9.648 -3.532 10.378 1.00 0.95 H new ATOM 0 HB3 LEU A 100 -8.399 -4.448 11.199 1.00 0.95 H new ATOM 0 HG LEU A 100 -11.235 -4.368 12.289 1.00 1.04 H new ATOM 0 HD11 LEU A 100 -11.666 -6.468 11.042 1.00 1.68 H new ATOM 0 HD12 LEU A 100 -11.357 -5.116 9.928 1.00 1.68 H new ATOM 0 HD13 LEU A 100 -10.083 -6.318 10.242 1.00 1.68 H new ATOM 0 HD21 LEU A 100 -10.533 -6.539 13.267 1.00 1.67 H new ATOM 0 HD22 LEU A 100 -8.951 -6.387 12.467 1.00 1.67 H new ATOM 0 HD23 LEU A 100 -9.418 -5.235 13.741 1.00 1.67 H new ATOM 1627 N ASN A 101 -7.383 -2.270 13.900 1.00 1.24 N ATOM 1628 CA ASN A 101 -5.953 -2.078 14.277 1.00 1.91 C ATOM 1629 C ASN A 101 -5.221 -3.420 14.235 1.00 1.48 C ATOM 1630 O ASN A 101 -4.046 -3.488 13.933 1.00 1.91 O ATOM 1631 CB ASN A 101 -5.874 -1.499 15.691 1.00 2.69 C ATOM 1632 CG ASN A 101 -5.889 -2.638 16.713 1.00 1.83 C ATOM 1633 OD1 ASN A 101 -6.845 -3.385 16.796 1.00 0.98 O ATOM 1634 ND2 ASN A 101 -4.862 -2.807 17.501 1.00 2.47 N ATOM 0 H ASN A 101 -8.055 -2.105 14.650 1.00 1.24 H new ATOM 0 HA ASN A 101 -5.484 -1.391 13.573 1.00 1.91 H new ATOM 0 HB2 ASN A 101 -4.965 -0.908 15.803 1.00 2.69 H new ATOM 0 HB3 ASN A 101 -6.714 -0.827 15.867 1.00 2.69 H new ATOM 0 HD21 ASN A 101 -4.863 -3.564 18.184 1.00 2.47 H new ATOM 0 HD22 ASN A 101 -4.059 -2.182 17.433 1.00 2.47 H new ATOM 1641 N SER A 102 -5.902 -4.489 14.543 1.00 0.86 N ATOM 1642 CA SER A 102 -5.239 -5.824 14.529 1.00 0.38 C ATOM 1643 C SER A 102 -5.372 -6.462 13.142 1.00 0.54 C ATOM 1644 O SER A 102 -6.457 -6.590 12.610 1.00 0.67 O ATOM 1645 CB SER A 102 -5.901 -6.726 15.570 1.00 0.31 C ATOM 1646 OG SER A 102 -4.898 -7.327 16.377 1.00 0.54 O ATOM 0 H SER A 102 -6.888 -4.496 14.804 1.00 0.86 H new ATOM 0 HA SER A 102 -4.182 -5.702 14.764 1.00 0.38 H new ATOM 0 HB2 SER A 102 -6.583 -6.145 16.190 1.00 0.31 H new ATOM 0 HB3 SER A 102 -6.496 -7.495 15.076 1.00 0.31 H new ATOM 0 HG SER A 102 -5.320 -7.905 17.047 1.00 0.54 H new ATOM 1652 N CYS A 103 -4.275 -6.872 12.561 1.00 0.61 N ATOM 1653 CA CYS A 103 -4.327 -7.514 11.217 1.00 0.76 C ATOM 1654 C CYS A 103 -3.077 -8.376 11.034 1.00 0.89 C ATOM 1655 O CYS A 103 -2.239 -8.081 10.206 1.00 0.94 O ATOM 1656 CB CYS A 103 -4.360 -6.434 10.135 1.00 0.83 C ATOM 1657 SG CYS A 103 -6.075 -5.981 9.781 1.00 0.25 S ATOM 0 H CYS A 103 -3.341 -6.789 12.963 1.00 0.61 H new ATOM 0 HA CYS A 103 -5.222 -8.132 11.137 1.00 0.76 H new ATOM 0 HB2 CYS A 103 -3.803 -5.557 10.465 1.00 0.83 H new ATOM 0 HB3 CYS A 103 -3.875 -6.798 9.229 1.00 0.83 H new ATOM 1662 N PRO A 104 -2.988 -9.410 11.831 1.00 1.03 N ATOM 1663 CA PRO A 104 -1.842 -10.336 11.800 1.00 1.21 C ATOM 1664 C PRO A 104 -1.709 -11.001 10.428 1.00 1.02 C ATOM 1665 O PRO A 104 -2.217 -12.082 10.201 1.00 1.14 O ATOM 1666 CB PRO A 104 -2.158 -11.386 12.875 1.00 1.49 C ATOM 1667 CG PRO A 104 -3.539 -11.034 13.486 1.00 1.41 C ATOM 1668 CD PRO A 104 -4.027 -9.737 12.822 1.00 1.11 C ATOM 0 HA PRO A 104 -0.899 -9.821 11.984 1.00 1.21 H new ATOM 0 HB2 PRO A 104 -2.176 -12.385 12.440 1.00 1.49 H new ATOM 0 HB3 PRO A 104 -1.388 -11.388 13.646 1.00 1.49 H new ATOM 0 HG2 PRO A 104 -4.250 -11.842 13.315 1.00 1.41 H new ATOM 0 HG3 PRO A 104 -3.458 -10.904 14.565 1.00 1.41 H new ATOM 0 HD2 PRO A 104 -4.998 -9.877 12.346 1.00 1.11 H new ATOM 0 HD3 PRO A 104 -4.142 -8.937 13.553 1.00 1.11 H new ATOM 1676 N VAL A 105 -1.018 -10.376 9.515 1.00 0.87 N ATOM 1677 CA VAL A 105 -0.845 -10.994 8.170 1.00 0.70 C ATOM 1678 C VAL A 105 0.028 -12.241 8.314 1.00 0.80 C ATOM 1679 O VAL A 105 1.112 -12.188 8.861 1.00 0.87 O ATOM 1680 CB VAL A 105 -0.177 -9.993 7.217 1.00 0.77 C ATOM 1681 CG1 VAL A 105 0.978 -10.667 6.471 1.00 1.89 C ATOM 1682 CG2 VAL A 105 -1.210 -9.498 6.203 1.00 1.34 C ATOM 0 H VAL A 105 -0.568 -9.469 9.641 1.00 0.87 H new ATOM 0 HA VAL A 105 -1.817 -11.268 7.760 1.00 0.70 H new ATOM 0 HB VAL A 105 0.212 -9.154 7.794 1.00 0.77 H new ATOM 0 HG11 VAL A 105 1.445 -9.948 5.798 1.00 1.89 H new ATOM 0 HG12 VAL A 105 1.716 -11.024 7.189 1.00 1.89 H new ATOM 0 HG13 VAL A 105 0.596 -11.509 5.894 1.00 1.89 H new ATOM 0 HG21 VAL A 105 -0.741 -8.787 5.523 1.00 1.34 H new ATOM 0 HG22 VAL A 105 -1.595 -10.344 5.634 1.00 1.34 H new ATOM 0 HG23 VAL A 105 -2.031 -9.010 6.729 1.00 1.34 H new ATOM 1692 N LYS A 106 -0.433 -13.367 7.839 1.00 0.94 N ATOM 1693 CA LYS A 106 0.383 -14.609 7.965 1.00 1.05 C ATOM 1694 C LYS A 106 -0.310 -15.765 7.238 1.00 0.69 C ATOM 1695 O LYS A 106 -0.288 -16.893 7.688 1.00 1.22 O ATOM 1696 CB LYS A 106 0.538 -14.964 9.445 1.00 1.59 C ATOM 1697 CG LYS A 106 2.014 -15.216 9.761 1.00 2.28 C ATOM 1698 CD LYS A 106 2.241 -15.087 11.271 1.00 2.69 C ATOM 1699 CE LYS A 106 1.508 -16.217 11.997 1.00 2.07 C ATOM 1700 NZ LYS A 106 0.362 -15.653 12.766 1.00 2.22 N ATOM 0 H LYS A 106 -1.333 -13.480 7.372 1.00 0.94 H new ATOM 0 HA LYS A 106 1.363 -14.441 7.519 1.00 1.05 H new ATOM 0 HB2 LYS A 106 0.156 -14.153 10.066 1.00 1.59 H new ATOM 0 HB3 LYS A 106 -0.051 -15.850 9.680 1.00 1.59 H new ATOM 0 HG2 LYS A 106 2.305 -16.210 9.422 1.00 2.28 H new ATOM 0 HG3 LYS A 106 2.639 -14.501 9.226 1.00 2.28 H new ATOM 0 HD2 LYS A 106 3.307 -15.129 11.494 1.00 2.69 H new ATOM 0 HD3 LYS A 106 1.880 -14.120 11.622 1.00 2.69 H new ATOM 0 HE2 LYS A 106 1.150 -16.953 11.278 1.00 2.07 H new ATOM 0 HE3 LYS A 106 2.192 -16.735 12.670 1.00 2.07 H new ATOM 0 HZ1 LYS A 106 -0.136 -16.421 13.260 1.00 2.22 H new ATOM 0 HZ2 LYS A 106 0.716 -14.966 13.462 1.00 2.22 H new ATOM 0 HZ3 LYS A 106 -0.294 -15.178 12.113 1.00 2.22 H new ATOM 1714 N GLU A 107 -0.915 -15.500 6.113 1.00 0.41 N ATOM 1715 CA GLU A 107 -1.596 -16.594 5.362 1.00 0.35 C ATOM 1716 C GLU A 107 -1.303 -16.444 3.880 1.00 0.55 C ATOM 1717 O GLU A 107 -2.182 -16.222 3.072 1.00 0.95 O ATOM 1718 CB GLU A 107 -3.107 -16.539 5.609 1.00 0.72 C ATOM 1719 CG GLU A 107 -3.570 -15.081 5.651 1.00 1.45 C ATOM 1720 CD GLU A 107 -5.024 -14.995 5.181 1.00 1.73 C ATOM 1721 OE1 GLU A 107 -5.286 -15.385 4.055 1.00 1.74 O ATOM 1722 OE2 GLU A 107 -5.850 -14.540 5.955 1.00 2.73 O ATOM 0 H GLU A 107 -0.968 -14.577 5.682 1.00 0.41 H new ATOM 0 HA GLU A 107 -1.222 -17.558 5.708 1.00 0.35 H new ATOM 0 HB2 GLU A 107 -3.634 -17.075 4.820 1.00 0.72 H new ATOM 0 HB3 GLU A 107 -3.350 -17.035 6.549 1.00 0.72 H new ATOM 0 HG2 GLU A 107 -3.480 -14.688 6.664 1.00 1.45 H new ATOM 0 HG3 GLU A 107 -2.933 -14.467 5.014 1.00 1.45 H new ATOM 1729 N ALA A 108 -0.062 -16.576 3.525 1.00 0.55 N ATOM 1730 CA ALA A 108 0.320 -16.456 2.104 1.00 0.80 C ATOM 1731 C ALA A 108 1.808 -16.751 1.960 1.00 0.72 C ATOM 1732 O ALA A 108 2.507 -16.996 2.923 1.00 0.84 O ATOM 1733 CB ALA A 108 0.032 -15.039 1.612 1.00 0.96 C ATOM 0 H ALA A 108 0.709 -16.764 4.166 1.00 0.55 H new ATOM 0 HA ALA A 108 -0.256 -17.166 1.510 1.00 0.80 H new ATOM 0 HB1 ALA A 108 0.315 -14.954 0.563 1.00 0.96 H new ATOM 0 HB2 ALA A 108 -1.031 -14.826 1.719 1.00 0.96 H new ATOM 0 HB3 ALA A 108 0.607 -14.325 2.202 1.00 0.96 H new ATOM 1739 N ASP A 109 2.290 -16.715 0.761 1.00 0.66 N ATOM 1740 CA ASP A 109 3.735 -16.975 0.521 1.00 0.73 C ATOM 1741 C ASP A 109 4.447 -15.639 0.312 1.00 0.70 C ATOM 1742 O ASP A 109 3.884 -14.588 0.540 1.00 0.96 O ATOM 1743 CB ASP A 109 3.903 -17.846 -0.726 1.00 0.90 C ATOM 1744 CG ASP A 109 4.246 -19.277 -0.308 1.00 0.88 C ATOM 1745 OD1 ASP A 109 5.206 -19.443 0.429 1.00 1.10 O ATOM 1746 OD2 ASP A 109 3.545 -20.181 -0.729 1.00 1.28 O ATOM 0 H ASP A 109 1.743 -16.515 -0.077 1.00 0.66 H new ATOM 0 HA ASP A 109 4.164 -17.495 1.378 1.00 0.73 H new ATOM 0 HB2 ASP A 109 2.985 -17.838 -1.314 1.00 0.90 H new ATOM 0 HB3 ASP A 109 4.692 -17.442 -1.361 1.00 0.90 H new ATOM 1751 N GLN A 110 5.677 -15.661 -0.119 1.00 0.56 N ATOM 1752 CA GLN A 110 6.400 -14.374 -0.332 1.00 0.57 C ATOM 1753 C GLN A 110 6.424 -14.021 -1.824 1.00 0.54 C ATOM 1754 O GLN A 110 7.272 -14.465 -2.573 1.00 0.59 O ATOM 1755 CB GLN A 110 7.834 -14.465 0.211 1.00 0.71 C ATOM 1756 CG GLN A 110 8.617 -15.564 -0.510 1.00 1.55 C ATOM 1757 CD GLN A 110 9.664 -16.150 0.440 1.00 1.89 C ATOM 1758 OE1 GLN A 110 9.363 -16.463 1.575 1.00 1.14 O ATOM 1759 NE2 GLN A 110 10.890 -16.311 0.021 1.00 3.27 N ATOM 0 H GLN A 110 6.210 -16.505 -0.332 1.00 0.56 H new ATOM 0 HA GLN A 110 5.873 -13.588 0.209 1.00 0.57 H new ATOM 0 HB2 GLN A 110 8.339 -13.508 0.081 1.00 0.71 H new ATOM 0 HB3 GLN A 110 7.811 -14.671 1.281 1.00 0.71 H new ATOM 0 HG2 GLN A 110 7.938 -16.347 -0.848 1.00 1.55 H new ATOM 0 HG3 GLN A 110 9.102 -15.158 -1.397 1.00 1.55 H new ATOM 0 HE21 GLN A 110 11.142 -16.048 -0.932 1.00 3.27 H new ATOM 0 HE22 GLN A 110 11.596 -16.700 0.646 1.00 3.27 H new ATOM 1768 N SER A 111 5.502 -13.210 -2.258 1.00 0.61 N ATOM 1769 CA SER A 111 5.475 -12.809 -3.690 1.00 0.64 C ATOM 1770 C SER A 111 6.285 -11.522 -3.848 1.00 0.55 C ATOM 1771 O SER A 111 6.177 -10.617 -3.046 1.00 0.88 O ATOM 1772 CB SER A 111 4.031 -12.565 -4.126 1.00 0.84 C ATOM 1773 OG SER A 111 3.543 -11.390 -3.493 1.00 0.68 O ATOM 0 H SER A 111 4.764 -12.807 -1.681 1.00 0.61 H new ATOM 0 HA SER A 111 5.903 -13.598 -4.309 1.00 0.64 H new ATOM 0 HB2 SER A 111 3.979 -12.457 -5.209 1.00 0.84 H new ATOM 0 HB3 SER A 111 3.409 -13.420 -3.861 1.00 0.84 H new ATOM 0 HG SER A 111 2.617 -11.229 -3.771 1.00 0.68 H new ATOM 1779 N THR A 112 7.101 -11.437 -4.863 1.00 0.71 N ATOM 1780 CA THR A 112 7.931 -10.211 -5.058 1.00 0.64 C ATOM 1781 C THR A 112 7.043 -8.962 -5.009 1.00 0.59 C ATOM 1782 O THR A 112 5.900 -8.979 -5.420 1.00 0.59 O ATOM 1783 CB THR A 112 8.649 -10.297 -6.405 1.00 0.80 C ATOM 1784 OG1 THR A 112 7.692 -10.398 -7.452 1.00 0.93 O ATOM 1785 CG2 THR A 112 9.552 -11.532 -6.411 1.00 0.88 C ATOM 0 H THR A 112 7.230 -12.164 -5.567 1.00 0.71 H new ATOM 0 HA THR A 112 8.670 -10.141 -4.260 1.00 0.64 H new ATOM 0 HB THR A 112 9.251 -9.401 -6.559 1.00 0.80 H new ATOM 0 HG1 THR A 112 8.155 -10.451 -8.314 1.00 0.93 H new ATOM 0 HG21 THR A 112 10.068 -11.601 -7.369 1.00 0.88 H new ATOM 0 HG22 THR A 112 10.285 -11.450 -5.609 1.00 0.88 H new ATOM 0 HG23 THR A 112 8.947 -12.426 -6.260 1.00 0.88 H new ATOM 1793 N LEU A 113 7.561 -7.882 -4.485 1.00 0.55 N ATOM 1794 CA LEU A 113 6.755 -6.630 -4.375 1.00 0.51 C ATOM 1795 C LEU A 113 6.215 -6.207 -5.746 1.00 0.44 C ATOM 1796 O LEU A 113 5.271 -5.454 -5.835 1.00 0.39 O ATOM 1797 CB LEU A 113 7.625 -5.505 -3.807 1.00 0.58 C ATOM 1798 CG LEU A 113 6.749 -4.541 -2.999 1.00 0.32 C ATOM 1799 CD1 LEU A 113 7.521 -4.046 -1.775 1.00 1.51 C ATOM 1800 CD2 LEU A 113 6.366 -3.341 -3.871 1.00 1.14 C ATOM 0 H LEU A 113 8.513 -7.813 -4.126 1.00 0.55 H new ATOM 0 HA LEU A 113 5.913 -6.822 -3.710 1.00 0.51 H new ATOM 0 HB2 LEU A 113 8.408 -5.921 -3.173 1.00 0.58 H new ATOM 0 HB3 LEU A 113 8.122 -4.970 -4.617 1.00 0.58 H new ATOM 0 HG LEU A 113 5.848 -5.062 -2.676 1.00 0.32 H new ATOM 0 HD11 LEU A 113 6.895 -3.361 -1.203 1.00 1.51 H new ATOM 0 HD12 LEU A 113 7.795 -4.896 -1.150 1.00 1.51 H new ATOM 0 HD13 LEU A 113 8.424 -3.528 -2.099 1.00 1.51 H new ATOM 0 HD21 LEU A 113 5.743 -2.657 -3.295 1.00 1.14 H new ATOM 0 HD22 LEU A 113 7.269 -2.824 -4.195 1.00 1.14 H new ATOM 0 HD23 LEU A 113 5.813 -3.687 -4.744 1.00 1.14 H new ATOM 1812 N GLU A 114 6.799 -6.664 -6.816 1.00 0.44 N ATOM 1813 CA GLU A 114 6.292 -6.257 -8.158 1.00 0.40 C ATOM 1814 C GLU A 114 4.807 -6.618 -8.285 1.00 0.24 C ATOM 1815 O GLU A 114 3.965 -5.769 -8.515 1.00 0.20 O ATOM 1816 CB GLU A 114 7.092 -6.977 -9.244 1.00 0.42 C ATOM 1817 CG GLU A 114 7.246 -6.061 -10.459 1.00 1.15 C ATOM 1818 CD GLU A 114 7.808 -6.860 -11.637 1.00 1.41 C ATOM 1819 OE1 GLU A 114 8.491 -7.841 -11.391 1.00 1.18 O ATOM 1820 OE2 GLU A 114 7.546 -6.477 -12.766 1.00 2.56 O ATOM 0 H GLU A 114 7.599 -7.297 -6.823 1.00 0.44 H new ATOM 0 HA GLU A 114 6.408 -5.180 -8.276 1.00 0.40 H new ATOM 0 HB2 GLU A 114 8.073 -7.258 -8.861 1.00 0.42 H new ATOM 0 HB3 GLU A 114 6.586 -7.898 -9.532 1.00 0.42 H new ATOM 0 HG2 GLU A 114 6.281 -5.630 -10.726 1.00 1.15 H new ATOM 0 HG3 GLU A 114 7.911 -5.231 -10.219 1.00 1.15 H new ATOM 1827 N ASN A 115 4.481 -7.871 -8.145 1.00 0.17 N ATOM 1828 CA ASN A 115 3.056 -8.293 -8.267 1.00 0.09 C ATOM 1829 C ASN A 115 2.255 -7.863 -7.032 1.00 0.28 C ATOM 1830 O ASN A 115 1.042 -7.877 -7.043 1.00 0.44 O ATOM 1831 CB ASN A 115 2.985 -9.815 -8.414 1.00 0.06 C ATOM 1832 CG ASN A 115 1.617 -10.212 -8.969 1.00 0.92 C ATOM 1833 OD1 ASN A 115 0.761 -9.372 -9.165 1.00 1.96 O ATOM 1834 ND2 ASN A 115 1.371 -11.467 -9.232 1.00 1.10 N ATOM 0 H ASN A 115 5.140 -8.624 -7.951 1.00 0.17 H new ATOM 0 HA ASN A 115 2.626 -7.814 -9.147 1.00 0.09 H new ATOM 0 HB2 ASN A 115 3.774 -10.164 -9.080 1.00 0.06 H new ATOM 0 HB3 ASN A 115 3.149 -10.292 -7.448 1.00 0.06 H new ATOM 0 HD21 ASN A 115 0.461 -11.742 -9.602 1.00 1.10 H new ATOM 0 HD22 ASN A 115 2.089 -12.173 -9.068 1.00 1.10 H new ATOM 1841 N PHE A 116 2.907 -7.476 -5.969 1.00 0.40 N ATOM 1842 CA PHE A 116 2.150 -7.046 -4.760 1.00 0.54 C ATOM 1843 C PHE A 116 1.536 -5.671 -5.031 1.00 0.44 C ATOM 1844 O PHE A 116 0.331 -5.523 -5.128 1.00 0.38 O ATOM 1845 CB PHE A 116 3.103 -6.957 -3.567 1.00 0.71 C ATOM 1846 CG PHE A 116 2.426 -6.230 -2.432 1.00 0.78 C ATOM 1847 CD1 PHE A 116 1.312 -6.796 -1.800 1.00 0.77 C ATOM 1848 CD2 PHE A 116 2.912 -4.986 -2.012 1.00 0.86 C ATOM 1849 CE1 PHE A 116 0.684 -6.118 -0.748 1.00 0.84 C ATOM 1850 CE2 PHE A 116 2.285 -4.308 -0.960 1.00 0.93 C ATOM 1851 CZ PHE A 116 1.171 -4.874 -0.328 1.00 0.92 C ATOM 0 H PHE A 116 3.923 -7.439 -5.886 1.00 0.40 H new ATOM 0 HA PHE A 116 1.363 -7.766 -4.535 1.00 0.54 H new ATOM 0 HB2 PHE A 116 3.397 -7.957 -3.248 1.00 0.71 H new ATOM 0 HB3 PHE A 116 4.015 -6.434 -3.855 1.00 0.71 H new ATOM 0 HD1 PHE A 116 0.937 -7.756 -2.124 1.00 0.77 H new ATOM 0 HD2 PHE A 116 3.771 -4.549 -2.500 1.00 0.86 H new ATOM 0 HE1 PHE A 116 -0.175 -6.554 -0.261 1.00 0.84 H new ATOM 0 HE2 PHE A 116 2.660 -3.349 -0.636 1.00 0.93 H new ATOM 0 HZ PHE A 116 0.687 -4.351 0.484 1.00 0.92 H new ATOM 1861 N LEU A 117 2.357 -4.670 -5.175 1.00 0.47 N ATOM 1862 CA LEU A 117 1.828 -3.310 -5.460 1.00 0.41 C ATOM 1863 C LEU A 117 0.951 -3.379 -6.711 1.00 0.39 C ATOM 1864 O LEU A 117 0.017 -2.620 -6.867 1.00 0.36 O ATOM 1865 CB LEU A 117 2.990 -2.342 -5.698 1.00 0.39 C ATOM 1866 CG LEU A 117 2.829 -1.110 -4.802 1.00 0.61 C ATOM 1867 CD1 LEU A 117 1.428 -0.521 -4.982 1.00 2.00 C ATOM 1868 CD2 LEU A 117 3.026 -1.512 -3.340 1.00 1.26 C ATOM 0 H LEU A 117 3.373 -4.736 -5.107 1.00 0.47 H new ATOM 0 HA LEU A 117 1.241 -2.955 -4.613 1.00 0.41 H new ATOM 0 HB2 LEU A 117 3.937 -2.837 -5.485 1.00 0.39 H new ATOM 0 HB3 LEU A 117 3.016 -2.041 -6.745 1.00 0.39 H new ATOM 0 HG LEU A 117 3.574 -0.364 -5.079 1.00 0.61 H new ATOM 0 HD11 LEU A 117 1.317 0.355 -4.343 1.00 2.00 H new ATOM 0 HD12 LEU A 117 1.286 -0.231 -6.023 1.00 2.00 H new ATOM 0 HD13 LEU A 117 0.682 -1.267 -4.708 1.00 2.00 H new ATOM 0 HD21 LEU A 117 2.911 -0.635 -2.703 1.00 1.26 H new ATOM 0 HD22 LEU A 117 2.282 -2.260 -3.065 1.00 1.26 H new ATOM 0 HD23 LEU A 117 4.025 -1.928 -3.208 1.00 1.26 H new ATOM 1880 N GLU A 118 1.238 -4.294 -7.601 1.00 0.40 N ATOM 1881 CA GLU A 118 0.411 -4.423 -8.833 1.00 0.40 C ATOM 1882 C GLU A 118 -1.033 -4.746 -8.432 1.00 0.46 C ATOM 1883 O GLU A 118 -1.971 -4.097 -8.854 1.00 0.44 O ATOM 1884 CB GLU A 118 0.974 -5.556 -9.697 1.00 0.44 C ATOM 1885 CG GLU A 118 0.221 -5.620 -11.026 1.00 0.35 C ATOM 1886 CD GLU A 118 0.747 -6.795 -11.854 1.00 1.12 C ATOM 1887 OE1 GLU A 118 1.694 -6.594 -12.597 1.00 1.22 O ATOM 1888 OE2 GLU A 118 0.195 -7.875 -11.729 1.00 2.36 O ATOM 0 H GLU A 118 2.010 -4.956 -7.526 1.00 0.40 H new ATOM 0 HA GLU A 118 0.432 -3.492 -9.399 1.00 0.40 H new ATOM 0 HB2 GLU A 118 2.036 -5.393 -9.878 1.00 0.44 H new ATOM 0 HB3 GLU A 118 0.882 -6.506 -9.171 1.00 0.44 H new ATOM 0 HG2 GLU A 118 -0.847 -5.738 -10.846 1.00 0.35 H new ATOM 0 HG3 GLU A 118 0.351 -4.687 -11.575 1.00 0.35 H new ATOM 1895 N ARG A 119 -1.211 -5.742 -7.610 1.00 0.53 N ATOM 1896 CA ARG A 119 -2.584 -6.116 -7.164 1.00 0.59 C ATOM 1897 C ARG A 119 -3.180 -4.993 -6.307 1.00 0.54 C ATOM 1898 O ARG A 119 -4.369 -4.953 -6.080 1.00 0.60 O ATOM 1899 CB ARG A 119 -2.514 -7.403 -6.337 1.00 0.68 C ATOM 1900 CG ARG A 119 -2.283 -8.597 -7.266 1.00 0.52 C ATOM 1901 CD ARG A 119 -3.522 -8.817 -8.135 1.00 0.48 C ATOM 1902 NE ARG A 119 -3.301 -8.211 -9.480 1.00 1.66 N ATOM 1903 CZ ARG A 119 -4.081 -8.512 -10.494 1.00 2.22 C ATOM 1904 NH1 ARG A 119 -5.078 -9.353 -10.360 1.00 1.72 N ATOM 1905 NH2 ARG A 119 -3.859 -7.962 -11.657 1.00 3.44 N ATOM 0 H ARG A 119 -0.461 -6.317 -7.225 1.00 0.53 H new ATOM 0 HA ARG A 119 -3.216 -6.272 -8.039 1.00 0.59 H new ATOM 0 HB2 ARG A 119 -1.707 -7.335 -5.607 1.00 0.68 H new ATOM 0 HB3 ARG A 119 -3.439 -7.538 -5.777 1.00 0.68 H new ATOM 0 HG2 ARG A 119 -1.412 -8.418 -7.896 1.00 0.52 H new ATOM 0 HG3 ARG A 119 -2.074 -9.492 -6.680 1.00 0.52 H new ATOM 0 HD2 ARG A 119 -3.725 -9.883 -8.234 1.00 0.48 H new ATOM 0 HD3 ARG A 119 -4.395 -8.369 -7.662 1.00 0.48 H new ATOM 0 HE ARG A 119 -2.533 -7.553 -9.615 1.00 1.66 H new ATOM 0 HH11 ARG A 119 -5.260 -9.788 -9.455 1.00 1.72 H new ATOM 0 HH12 ARG A 119 -5.671 -9.573 -11.160 1.00 1.72 H new ATOM 0 HH21 ARG A 119 -3.086 -7.306 -11.772 1.00 3.44 H new ATOM 0 HH22 ARG A 119 -4.458 -8.188 -12.451 1.00 3.44 H new ATOM 1919 N LEU A 120 -2.377 -4.080 -5.826 1.00 0.44 N ATOM 1920 CA LEU A 120 -2.937 -2.973 -4.998 1.00 0.39 C ATOM 1921 C LEU A 120 -3.613 -1.954 -5.919 1.00 0.31 C ATOM 1922 O LEU A 120 -4.704 -1.485 -5.661 1.00 0.30 O ATOM 1923 CB LEU A 120 -1.807 -2.292 -4.222 1.00 0.38 C ATOM 1924 CG LEU A 120 -2.072 -2.408 -2.720 1.00 0.43 C ATOM 1925 CD1 LEU A 120 -0.985 -1.653 -1.950 1.00 0.98 C ATOM 1926 CD2 LEU A 120 -3.441 -1.804 -2.393 1.00 0.45 C ATOM 0 H LEU A 120 -1.367 -4.053 -5.969 1.00 0.44 H new ATOM 0 HA LEU A 120 -3.666 -3.373 -4.293 1.00 0.39 H new ATOM 0 HB2 LEU A 120 -0.852 -2.755 -4.470 1.00 0.38 H new ATOM 0 HB3 LEU A 120 -1.736 -1.243 -4.509 1.00 0.38 H new ATOM 0 HG LEU A 120 -2.060 -3.459 -2.430 1.00 0.43 H new ATOM 0 HD11 LEU A 120 -1.173 -1.735 -0.880 1.00 0.98 H new ATOM 0 HD12 LEU A 120 -0.010 -2.083 -2.181 1.00 0.98 H new ATOM 0 HD13 LEU A 120 -0.996 -0.603 -2.241 1.00 0.98 H new ATOM 0 HD21 LEU A 120 -3.629 -1.887 -1.323 1.00 0.45 H new ATOM 0 HD22 LEU A 120 -3.454 -0.753 -2.683 1.00 0.45 H new ATOM 0 HD23 LEU A 120 -4.216 -2.341 -2.940 1.00 0.45 H new ATOM 1938 N LYS A 121 -2.967 -1.619 -7.000 1.00 0.28 N ATOM 1939 CA LYS A 121 -3.542 -0.641 -7.968 1.00 0.23 C ATOM 1940 C LYS A 121 -4.788 -1.235 -8.622 1.00 0.27 C ATOM 1941 O LYS A 121 -5.698 -0.531 -9.014 1.00 0.26 O ATOM 1942 CB LYS A 121 -2.507 -0.379 -9.060 1.00 0.26 C ATOM 1943 CG LYS A 121 -2.759 0.981 -9.712 1.00 0.14 C ATOM 1944 CD LYS A 121 -1.632 1.278 -10.707 1.00 0.92 C ATOM 1945 CE LYS A 121 -1.429 0.066 -11.619 1.00 1.52 C ATOM 1946 NZ LYS A 121 -0.520 0.431 -12.742 1.00 1.98 N ATOM 0 H LYS A 121 -2.051 -1.986 -7.259 1.00 0.28 H new ATOM 0 HA LYS A 121 -3.803 0.280 -7.447 1.00 0.23 H new ATOM 0 HB2 LYS A 121 -1.504 -0.406 -8.634 1.00 0.26 H new ATOM 0 HB3 LYS A 121 -2.555 -1.166 -9.813 1.00 0.26 H new ATOM 0 HG2 LYS A 121 -3.721 0.980 -10.224 1.00 0.14 H new ATOM 0 HG3 LYS A 121 -2.803 1.760 -8.951 1.00 0.14 H new ATOM 0 HD2 LYS A 121 -1.879 2.158 -11.302 1.00 0.92 H new ATOM 0 HD3 LYS A 121 -0.709 1.504 -10.172 1.00 0.92 H new ATOM 0 HE2 LYS A 121 -1.006 -0.763 -11.051 1.00 1.52 H new ATOM 0 HE3 LYS A 121 -2.389 -0.272 -12.010 1.00 1.52 H new ATOM 0 HZ1 LYS A 121 -0.771 -0.123 -13.586 1.00 1.98 H new ATOM 0 HZ2 LYS A 121 -0.617 1.445 -12.952 1.00 1.98 H new ATOM 0 HZ3 LYS A 121 0.463 0.226 -12.473 1.00 1.98 H new ATOM 1960 N THR A 122 -4.816 -2.528 -8.765 1.00 0.59 N ATOM 1961 CA THR A 122 -5.981 -3.187 -9.425 1.00 0.64 C ATOM 1962 C THR A 122 -7.178 -3.248 -8.471 1.00 0.66 C ATOM 1963 O THR A 122 -8.286 -2.906 -8.828 1.00 0.66 O ATOM 1964 CB THR A 122 -5.591 -4.607 -9.866 1.00 0.66 C ATOM 1965 OG1 THR A 122 -4.256 -4.898 -9.476 1.00 0.57 O ATOM 1966 CG2 THR A 122 -5.698 -4.701 -11.386 1.00 0.66 C ATOM 0 H THR A 122 -4.081 -3.162 -8.453 1.00 0.59 H new ATOM 0 HA THR A 122 -6.265 -2.601 -10.299 1.00 0.64 H new ATOM 0 HB THR A 122 -6.262 -5.324 -9.393 1.00 0.66 H new ATOM 0 HG1 THR A 122 -3.644 -4.263 -9.904 1.00 0.57 H new ATOM 0 HG21 THR A 122 -5.423 -5.705 -11.709 1.00 0.66 H new ATOM 0 HG22 THR A 122 -6.722 -4.489 -11.692 1.00 0.66 H new ATOM 0 HG23 THR A 122 -5.025 -3.976 -11.844 1.00 0.66 H new ATOM 1974 N ILE A 123 -6.964 -3.689 -7.269 1.00 0.67 N ATOM 1975 CA ILE A 123 -8.083 -3.787 -6.286 1.00 0.68 C ATOM 1976 C ILE A 123 -8.680 -2.402 -6.024 1.00 0.60 C ATOM 1977 O ILE A 123 -9.853 -2.267 -5.739 1.00 0.69 O ATOM 1978 CB ILE A 123 -7.546 -4.343 -4.969 1.00 0.70 C ATOM 1979 CG1 ILE A 123 -7.156 -5.816 -5.146 1.00 0.78 C ATOM 1980 CG2 ILE A 123 -8.622 -4.222 -3.888 1.00 0.72 C ATOM 1981 CD1 ILE A 123 -8.380 -6.634 -5.565 1.00 0.67 C ATOM 0 H ILE A 123 -6.055 -3.990 -6.917 1.00 0.67 H new ATOM 0 HA ILE A 123 -8.853 -4.443 -6.692 1.00 0.68 H new ATOM 0 HB ILE A 123 -6.665 -3.774 -4.671 1.00 0.70 H new ATOM 0 HG12 ILE A 123 -6.373 -5.906 -5.899 1.00 0.78 H new ATOM 0 HG13 ILE A 123 -6.748 -6.207 -4.214 1.00 0.78 H new ATOM 0 HG21 ILE A 123 -8.239 -4.619 -2.948 1.00 0.72 H new ATOM 0 HG22 ILE A 123 -8.890 -3.174 -3.757 1.00 0.72 H new ATOM 0 HG23 ILE A 123 -9.504 -4.787 -4.188 1.00 0.72 H new ATOM 0 HD11 ILE A 123 -8.095 -7.679 -5.689 1.00 0.67 H new ATOM 0 HD12 ILE A 123 -9.150 -6.557 -4.797 1.00 0.67 H new ATOM 0 HD13 ILE A 123 -8.769 -6.250 -6.508 1.00 0.67 H new ATOM 1993 N MET A 124 -7.880 -1.378 -6.091 1.00 0.43 N ATOM 1994 CA MET A 124 -8.400 -0.005 -5.818 1.00 0.35 C ATOM 1995 C MET A 124 -9.240 0.509 -6.991 1.00 0.36 C ATOM 1996 O MET A 124 -10.351 0.951 -6.816 1.00 0.41 O ATOM 1997 CB MET A 124 -7.230 0.952 -5.596 1.00 0.27 C ATOM 1998 CG MET A 124 -6.314 0.417 -4.498 1.00 0.55 C ATOM 1999 SD MET A 124 -6.649 1.298 -2.955 1.00 0.33 S ATOM 2000 CE MET A 124 -5.795 2.831 -3.396 1.00 0.62 C ATOM 0 H MET A 124 -6.888 -1.429 -6.323 1.00 0.43 H new ATOM 0 HA MET A 124 -9.027 -0.052 -4.928 1.00 0.35 H new ATOM 0 HB2 MET A 124 -6.668 1.072 -6.522 1.00 0.27 H new ATOM 0 HB3 MET A 124 -7.604 1.938 -5.320 1.00 0.27 H new ATOM 0 HG2 MET A 124 -6.477 -0.652 -4.362 1.00 0.55 H new ATOM 0 HG3 MET A 124 -5.270 0.547 -4.784 1.00 0.55 H new ATOM 0 HE1 MET A 124 -4.909 2.946 -2.772 1.00 0.62 H new ATOM 0 HE2 MET A 124 -5.498 2.794 -4.444 1.00 0.62 H new ATOM 0 HE3 MET A 124 -6.463 3.678 -3.238 1.00 0.62 H new ATOM 2010 N ARG A 125 -8.708 0.491 -8.176 1.00 0.32 N ATOM 2011 CA ARG A 125 -9.470 1.023 -9.347 1.00 0.34 C ATOM 2012 C ARG A 125 -10.710 0.170 -9.647 1.00 0.38 C ATOM 2013 O ARG A 125 -11.638 0.627 -10.283 1.00 0.32 O ATOM 2014 CB ARG A 125 -8.563 1.024 -10.582 1.00 0.40 C ATOM 2015 CG ARG A 125 -7.272 1.792 -10.282 1.00 2.12 C ATOM 2016 CD ARG A 125 -7.397 3.227 -10.794 1.00 2.00 C ATOM 2017 NE ARG A 125 -6.044 3.736 -11.173 1.00 3.17 N ATOM 2018 CZ ARG A 125 -5.907 4.840 -11.871 1.00 3.41 C ATOM 2019 NH1 ARG A 125 -6.950 5.535 -12.258 1.00 3.07 N ATOM 2020 NH2 ARG A 125 -4.710 5.254 -12.187 1.00 4.44 N ATOM 0 H ARG A 125 -7.778 0.132 -8.391 1.00 0.32 H new ATOM 0 HA ARG A 125 -9.796 2.034 -9.105 1.00 0.34 H new ATOM 0 HB2 ARG A 125 -8.328 -0.000 -10.872 1.00 0.40 H new ATOM 0 HB3 ARG A 125 -9.082 1.482 -11.424 1.00 0.40 H new ATOM 0 HG2 ARG A 125 -7.079 1.794 -9.209 1.00 2.12 H new ATOM 0 HG3 ARG A 125 -6.425 1.298 -10.758 1.00 2.12 H new ATOM 0 HD2 ARG A 125 -8.065 3.261 -11.654 1.00 2.00 H new ATOM 0 HD3 ARG A 125 -7.835 3.863 -10.025 1.00 2.00 H new ATOM 0 HE ARG A 125 -5.214 3.218 -10.885 1.00 3.17 H new ATOM 0 HH11 ARG A 125 -7.890 5.221 -12.017 1.00 3.07 H new ATOM 0 HH12 ARG A 125 -6.821 6.390 -12.799 1.00 3.07 H new ATOM 0 HH21 ARG A 125 -3.892 4.721 -11.892 1.00 4.44 H new ATOM 0 HH22 ARG A 125 -4.593 6.110 -12.729 1.00 4.44 H new ATOM 2034 N GLU A 126 -10.731 -1.067 -9.236 1.00 0.61 N ATOM 2035 CA GLU A 126 -11.911 -1.926 -9.554 1.00 0.67 C ATOM 2036 C GLU A 126 -12.976 -1.871 -8.446 1.00 0.70 C ATOM 2037 O GLU A 126 -14.159 -1.912 -8.721 1.00 0.76 O ATOM 2038 CB GLU A 126 -11.442 -3.369 -9.745 1.00 0.71 C ATOM 2039 CG GLU A 126 -10.740 -3.494 -11.099 1.00 1.22 C ATOM 2040 CD GLU A 126 -9.981 -4.821 -11.165 1.00 1.84 C ATOM 2041 OE1 GLU A 126 -10.579 -5.802 -11.576 1.00 1.32 O ATOM 2042 OE2 GLU A 126 -8.816 -4.833 -10.804 1.00 3.05 O ATOM 0 H GLU A 126 -9.991 -1.519 -8.699 1.00 0.61 H new ATOM 0 HA GLU A 126 -12.368 -1.549 -10.469 1.00 0.67 H new ATOM 0 HB2 GLU A 126 -10.762 -3.653 -8.942 1.00 0.71 H new ATOM 0 HB3 GLU A 126 -12.292 -4.050 -9.698 1.00 0.71 H new ATOM 0 HG2 GLU A 126 -11.472 -3.442 -11.905 1.00 1.22 H new ATOM 0 HG3 GLU A 126 -10.050 -2.662 -11.240 1.00 1.22 H new ATOM 2049 N LYS A 127 -12.581 -1.812 -7.204 1.00 0.69 N ATOM 2050 CA LYS A 127 -13.596 -1.795 -6.103 1.00 0.75 C ATOM 2051 C LYS A 127 -14.005 -0.362 -5.741 1.00 0.64 C ATOM 2052 O LYS A 127 -15.171 -0.068 -5.565 1.00 0.45 O ATOM 2053 CB LYS A 127 -13.007 -2.476 -4.867 1.00 0.86 C ATOM 2054 CG LYS A 127 -12.990 -3.992 -5.075 1.00 0.95 C ATOM 2055 CD LYS A 127 -12.765 -4.687 -3.730 1.00 1.85 C ATOM 2056 CE LYS A 127 -14.107 -5.157 -3.163 1.00 1.76 C ATOM 2057 NZ LYS A 127 -13.994 -6.581 -2.739 1.00 2.20 N ATOM 0 H LYS A 127 -11.608 -1.775 -6.901 1.00 0.69 H new ATOM 0 HA LYS A 127 -14.483 -2.327 -6.447 1.00 0.75 H new ATOM 0 HB2 LYS A 127 -11.995 -2.112 -4.686 1.00 0.86 H new ATOM 0 HB3 LYS A 127 -13.598 -2.226 -3.986 1.00 0.86 H new ATOM 0 HG2 LYS A 127 -13.932 -4.321 -5.514 1.00 0.95 H new ATOM 0 HG3 LYS A 127 -12.200 -4.265 -5.775 1.00 0.95 H new ATOM 0 HD2 LYS A 127 -12.095 -5.537 -3.856 1.00 1.85 H new ATOM 0 HD3 LYS A 127 -12.284 -4.002 -3.032 1.00 1.85 H new ATOM 0 HE2 LYS A 127 -14.394 -4.535 -2.315 1.00 1.76 H new ATOM 0 HE3 LYS A 127 -14.889 -5.051 -3.915 1.00 1.76 H new ATOM 0 HZ1 LYS A 127 -14.942 -7.006 -2.693 1.00 2.20 H new ATOM 0 HZ2 LYS A 127 -13.413 -7.103 -3.426 1.00 2.20 H new ATOM 0 HZ3 LYS A 127 -13.547 -6.630 -1.801 1.00 2.20 H new ATOM 2071 N TYR A 128 -13.060 0.527 -5.600 1.00 0.79 N ATOM 2072 CA TYR A 128 -13.399 1.935 -5.219 1.00 0.69 C ATOM 2073 C TYR A 128 -14.261 2.613 -6.296 1.00 0.60 C ATOM 2074 O TYR A 128 -14.818 3.669 -6.069 1.00 0.70 O ATOM 2075 CB TYR A 128 -12.098 2.723 -4.997 1.00 0.54 C ATOM 2076 CG TYR A 128 -11.973 3.859 -5.992 1.00 1.62 C ATOM 2077 CD1 TYR A 128 -11.679 3.596 -7.340 1.00 2.74 C ATOM 2078 CD2 TYR A 128 -12.129 5.182 -5.558 1.00 2.87 C ATOM 2079 CE1 TYR A 128 -11.547 4.654 -8.247 1.00 4.41 C ATOM 2080 CE2 TYR A 128 -11.993 6.239 -6.468 1.00 4.46 C ATOM 2081 CZ TYR A 128 -11.704 5.975 -7.812 1.00 5.12 C ATOM 2082 OH TYR A 128 -11.568 7.017 -8.708 1.00 6.85 O ATOM 0 H TYR A 128 -12.066 0.342 -5.732 1.00 0.79 H new ATOM 0 HA TYR A 128 -13.981 1.920 -4.297 1.00 0.69 H new ATOM 0 HB2 TYR A 128 -12.078 3.120 -3.982 1.00 0.54 H new ATOM 0 HB3 TYR A 128 -11.243 2.054 -5.094 1.00 0.54 H new ATOM 0 HD1 TYR A 128 -11.555 2.577 -7.677 1.00 2.74 H new ATOM 0 HD2 TYR A 128 -12.354 5.387 -4.522 1.00 2.87 H new ATOM 0 HE1 TYR A 128 -11.324 4.451 -9.284 1.00 4.41 H new ATOM 0 HE2 TYR A 128 -12.111 7.259 -6.132 1.00 4.46 H new ATOM 0 HH TYR A 128 -11.709 7.868 -8.244 1.00 6.85 H new