USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 982 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 12 TYR OH : rot 180:sc= 0.0819 USER MOD Set 1.2: A 53 TYR OH : rot 24:sc= 0.0815 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot -170:sc= 0 USER MOD Single : A 7 SER OG : rot -30:sc= 0.0633 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0816 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.021) USER MOD Single : A 25 THR OG1 : rot -119:sc= -0.0431 USER MOD Single : A 33 TYR OH : rot -17:sc= 0.0396 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -103:sc= 0.0407 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.179 (180deg=-0.792) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -162:sc= -0.082 (180deg=-1.23) USER MOD Single : A 75 THR OG1 : rot 34:sc= -1.44! USER MOD Single : A 77 SER OG : rot 61:sc= 0.386 USER MOD Single : A 79 THR OG1 : rot 107:sc= -2.1! USER MOD Single : A 80 LYS NZ :NH3+ -167:sc= -0.0318 (180deg=-0.271) USER MOD Single : A 85 HIS : no HE2:sc= -1.45 K(o=-1.5,f=-2.6!) USER MOD Single : A 87 ASN : amide:sc= -1.16 K(o=-1.2,f=-1.4e-05) USER MOD Single : A 88 ASN : amide:sc= 0.00897 K(o=0.009,f=-4.9!) USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= -0.0397 (180deg=-0.25) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 92 SER OG : rot 64:sc= 0.157 USER MOD Single : A 96 HIS : no HD1:sc=-0.00861 X(o=-0.0086,f=-0.0086) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0827 (180deg=-0.343) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0.0074) USER MOD Single : A 111 HIS : no HD1:sc= -0.835 K(o=-0.84,f=-2.1!) USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 MET CE :methyl -108:sc= -0.27 (180deg=-1.72) USER MOD Single : A 114 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.0063) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.38) USER MOD Single : A 117 CYS SG : rot -126:sc= -0.156 USER MOD Single : A 119 SER OG : rot -51:sc= 0.0941 USER MOD Single : A 122 CYS SG : rot 170:sc= -0.784 USER MOD Single : A 123 LYS NZ :NH3+ -172:sc= 0.276 (180deg=0.214) USER MOD Single : A 124 THR OG1 : rot 80:sc= 0.755 USER MOD Single : A 133 LYS NZ :NH3+ 167:sc= -0.0423 (180deg=-0.351) USER MOD Single : A 135 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 136 HIS : no HE2:sc= -0.0143 X(o=-0.014,f=-0.41) USER MOD Single : A 141 LYS NZ :NH3+ 139:sc= -0.0761 (180deg=-0.47) USER MOD Single : A 150 THR OG1 : rot -22:sc= -0.604 USER MOD Single : A 152 ASN : amide:sc= -0.531 K(o=-0.53,f=-3.5!) USER MOD Single : A 156 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.34!) USER MOD Single : A 158 SER OG : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 91 N SER A 7 14.187 7.798 -7.748 1.00 0.67 N ATOM 92 CA SER A 7 13.226 8.284 -8.730 1.00 0.69 C ATOM 93 C SER A 7 12.150 7.231 -8.998 1.00 0.58 C ATOM 94 O SER A 7 12.410 6.033 -8.891 1.00 0.54 O ATOM 95 CB SER A 7 13.938 8.644 -10.036 1.00 0.81 C ATOM 96 OG SER A 7 14.608 7.520 -10.579 1.00 1.60 O ATOM 0 HA SER A 7 12.748 9.177 -8.327 1.00 0.69 H new ATOM 0 HB2 SER A 7 13.213 9.022 -10.757 1.00 0.81 H new ATOM 0 HB3 SER A 7 14.654 9.445 -9.854 1.00 0.81 H new ATOM 0 HG SER A 7 14.888 6.924 -9.853 1.00 1.60 H new ATOM 102 N PRO A 8 10.925 7.666 -9.352 1.00 0.57 N ATOM 103 CA PRO A 8 9.814 6.748 -9.632 1.00 0.48 C ATOM 104 C PRO A 8 10.100 5.845 -10.826 1.00 0.47 C ATOM 105 O PRO A 8 10.444 6.317 -11.909 1.00 0.58 O ATOM 106 CB PRO A 8 8.635 7.677 -9.934 1.00 0.49 C ATOM 107 CG PRO A 8 9.251 8.985 -10.299 1.00 0.69 C ATOM 108 CD PRO A 8 10.524 9.077 -9.508 1.00 0.67 C ATOM 0 HA PRO A 8 9.630 6.072 -8.797 1.00 0.48 H new ATOM 0 HB2 PRO A 8 8.026 7.288 -10.750 1.00 0.49 H new ATOM 0 HB3 PRO A 8 7.981 7.778 -9.068 1.00 0.49 H new ATOM 0 HG2 PRO A 8 9.452 9.037 -11.369 1.00 0.69 H new ATOM 0 HG3 PRO A 8 8.582 9.812 -10.060 1.00 0.69 H new ATOM 0 HD2 PRO A 8 11.284 9.656 -10.033 1.00 0.67 H new ATOM 0 HD3 PRO A 8 10.365 9.560 -8.544 1.00 0.67 H new ATOM 116 N ILE A 9 9.956 4.540 -10.614 1.00 0.41 N ATOM 117 CA ILE A 9 10.196 3.559 -11.664 1.00 0.46 C ATOM 118 C ILE A 9 9.031 3.517 -12.646 1.00 0.45 C ATOM 119 O ILE A 9 9.216 3.660 -13.855 1.00 0.53 O ATOM 120 CB ILE A 9 10.401 2.148 -11.076 1.00 0.48 C ATOM 121 CG1 ILE A 9 11.343 2.197 -9.866 1.00 0.51 C ATOM 122 CG2 ILE A 9 10.940 1.201 -12.140 1.00 0.65 C ATOM 123 CD1 ILE A 9 12.725 2.732 -10.182 1.00 1.53 C ATOM 0 H ILE A 9 9.673 4.138 -9.720 1.00 0.41 H new ATOM 0 HA ILE A 9 11.103 3.865 -12.185 1.00 0.46 H new ATOM 0 HB ILE A 9 9.435 1.772 -10.739 1.00 0.48 H new ATOM 0 HG12 ILE A 9 10.892 2.819 -9.092 1.00 0.51 H new ATOM 0 HG13 ILE A 9 11.439 1.193 -9.452 1.00 0.51 H new ATOM 0 HG21 ILE A 9 11.079 0.210 -11.708 1.00 0.65 H new ATOM 0 HG22 ILE A 9 10.232 1.141 -12.966 1.00 0.65 H new ATOM 0 HG23 ILE A 9 11.896 1.574 -12.508 1.00 0.65 H new ATOM 0 HD11 ILE A 9 13.330 2.735 -9.275 1.00 1.53 H new ATOM 0 HD12 ILE A 9 13.198 2.098 -10.932 1.00 1.53 H new ATOM 0 HD13 ILE A 9 12.642 3.749 -10.566 1.00 1.53 H new ATOM 135 N THR A 10 7.830 3.314 -12.114 1.00 0.41 N ATOM 136 CA THR A 10 6.627 3.252 -12.937 1.00 0.42 C ATOM 137 C THR A 10 5.409 3.721 -12.154 1.00 0.31 C ATOM 138 O THR A 10 5.281 3.444 -10.964 1.00 0.28 O ATOM 139 CB THR A 10 6.372 1.825 -13.457 1.00 0.52 C ATOM 140 OG1 THR A 10 5.151 1.786 -14.204 1.00 0.54 O ATOM 141 CG2 THR A 10 6.298 0.832 -12.306 1.00 0.53 C ATOM 0 H THR A 10 7.664 3.189 -11.115 1.00 0.41 H new ATOM 0 HA THR A 10 6.789 3.914 -13.788 1.00 0.42 H new ATOM 0 HB THR A 10 7.204 1.546 -14.104 1.00 0.52 H new ATOM 0 HG1 THR A 10 4.997 0.876 -14.532 1.00 0.54 H new ATOM 0 HG21 THR A 10 6.117 -0.168 -12.699 1.00 0.53 H new ATOM 0 HG22 THR A 10 7.239 0.841 -11.756 1.00 0.53 H new ATOM 0 HG23 THR A 10 5.484 1.111 -11.637 1.00 0.53 H new ATOM 149 N GLU A 11 4.519 4.434 -12.833 1.00 0.34 N ATOM 150 CA GLU A 11 3.314 4.945 -12.199 1.00 0.27 C ATOM 151 C GLU A 11 2.089 4.697 -13.074 1.00 0.23 C ATOM 152 O GLU A 11 2.115 4.951 -14.279 1.00 0.32 O ATOM 153 CB GLU A 11 3.459 6.440 -11.918 1.00 0.35 C ATOM 154 CG GLU A 11 2.417 6.976 -10.957 1.00 1.07 C ATOM 155 CD GLU A 11 2.603 8.449 -10.656 1.00 1.05 C ATOM 156 OE1 GLU A 11 2.098 9.284 -11.435 1.00 1.46 O ATOM 157 OE2 GLU A 11 3.256 8.768 -9.640 1.00 0.76 O ATOM 0 H GLU A 11 4.610 4.670 -13.821 1.00 0.34 H new ATOM 0 HA GLU A 11 3.176 4.415 -11.257 1.00 0.27 H new ATOM 0 HB2 GLU A 11 4.451 6.631 -11.509 1.00 0.35 H new ATOM 0 HB3 GLU A 11 3.391 6.987 -12.858 1.00 0.35 H new ATOM 0 HG2 GLU A 11 1.424 6.818 -11.378 1.00 1.07 H new ATOM 0 HG3 GLU A 11 2.462 6.411 -10.026 1.00 1.07 H new ATOM 164 N TYR A 12 1.020 4.198 -12.462 1.00 0.33 N ATOM 165 CA TYR A 12 -0.213 3.915 -13.189 1.00 0.46 C ATOM 166 C TYR A 12 -1.389 3.768 -12.230 1.00 0.33 C ATOM 167 O TYR A 12 -1.201 3.595 -11.027 1.00 0.28 O ATOM 168 CB TYR A 12 -0.054 2.644 -14.028 1.00 0.67 C ATOM 169 CG TYR A 12 0.255 1.407 -13.214 1.00 0.46 C ATOM 170 CD1 TYR A 12 1.545 1.154 -12.765 1.00 0.71 C ATOM 171 CD2 TYR A 12 -0.742 0.494 -12.892 1.00 0.62 C ATOM 172 CE1 TYR A 12 1.833 0.026 -12.018 1.00 1.26 C ATOM 173 CE2 TYR A 12 -0.462 -0.635 -12.147 1.00 1.16 C ATOM 174 CZ TYR A 12 0.826 -0.870 -11.720 1.00 1.50 C ATOM 175 OH TYR A 12 1.111 -1.988 -10.971 1.00 2.11 O ATOM 0 H TYR A 12 0.982 3.981 -11.466 1.00 0.33 H new ATOM 0 HA TYR A 12 -0.417 4.755 -13.853 1.00 0.46 H new ATOM 0 HB2 TYR A 12 -0.971 2.476 -14.592 1.00 0.67 H new ATOM 0 HB3 TYR A 12 0.744 2.798 -14.755 1.00 0.67 H new ATOM 0 HD1 TYR A 12 2.336 1.850 -13.003 1.00 0.71 H new ATOM 0 HD2 TYR A 12 -1.753 0.670 -13.230 1.00 0.62 H new ATOM 0 HE1 TYR A 12 2.840 -0.153 -11.670 1.00 1.26 H new ATOM 0 HE2 TYR A 12 -1.250 -1.331 -11.900 1.00 1.16 H new ATOM 0 HH TYR A 12 0.295 -2.516 -10.848 1.00 2.11 H new ATOM 185 N LEU A 13 -2.601 3.837 -12.773 1.00 0.42 N ATOM 186 CA LEU A 13 -3.810 3.714 -11.963 1.00 0.35 C ATOM 187 C LEU A 13 -4.155 2.250 -11.716 1.00 0.29 C ATOM 188 O LEU A 13 -3.998 1.406 -12.597 1.00 0.35 O ATOM 189 CB LEU A 13 -4.989 4.413 -12.646 1.00 0.45 C ATOM 190 CG LEU A 13 -4.813 5.914 -12.887 1.00 0.59 C ATOM 191 CD1 LEU A 13 -5.997 6.468 -13.667 1.00 1.17 C ATOM 192 CD2 LEU A 13 -4.652 6.654 -11.567 1.00 0.93 C ATOM 0 H LEU A 13 -2.773 3.977 -13.769 1.00 0.42 H new ATOM 0 HA LEU A 13 -3.617 4.194 -11.004 1.00 0.35 H new ATOM 0 HB2 LEU A 13 -5.171 3.927 -13.605 1.00 0.45 H new ATOM 0 HB3 LEU A 13 -5.881 4.262 -12.038 1.00 0.45 H new ATOM 0 HG LEU A 13 -3.908 6.064 -13.476 1.00 0.59 H new ATOM 0 HD11 LEU A 13 -5.857 7.537 -13.830 1.00 1.17 H new ATOM 0 HD12 LEU A 13 -6.069 5.960 -14.629 1.00 1.17 H new ATOM 0 HD13 LEU A 13 -6.914 6.305 -13.101 1.00 1.17 H new ATOM 0 HD21 LEU A 13 -4.528 7.720 -11.760 1.00 0.93 H new ATOM 0 HD22 LEU A 13 -5.538 6.497 -10.952 1.00 0.93 H new ATOM 0 HD23 LEU A 13 -3.774 6.276 -11.043 1.00 0.93 H new ATOM 204 N ALA A 14 -4.631 1.960 -10.509 1.00 0.22 N ATOM 205 CA ALA A 14 -5.007 0.601 -10.139 1.00 0.20 C ATOM 206 C ALA A 14 -5.916 0.603 -8.915 1.00 0.20 C ATOM 207 O ALA A 14 -5.626 1.257 -7.914 1.00 0.32 O ATOM 208 CB ALA A 14 -3.765 -0.239 -9.874 1.00 0.30 C ATOM 0 H ALA A 14 -4.765 2.650 -9.770 1.00 0.22 H new ATOM 0 HA ALA A 14 -5.557 0.161 -10.971 1.00 0.20 H new ATOM 0 HB1 ALA A 14 -4.062 -1.251 -9.599 1.00 0.30 H new ATOM 0 HB2 ALA A 14 -3.150 -0.273 -10.773 1.00 0.30 H new ATOM 0 HB3 ALA A 14 -3.192 0.205 -9.060 1.00 0.30 H new ATOM 214 N SER A 15 -7.019 -0.132 -9.004 1.00 0.27 N ATOM 215 CA SER A 15 -7.970 -0.212 -7.903 1.00 0.32 C ATOM 216 C SER A 15 -7.665 -1.412 -7.012 1.00 0.30 C ATOM 217 O SER A 15 -7.533 -2.538 -7.492 1.00 0.29 O ATOM 218 CB SER A 15 -9.399 -0.307 -8.439 1.00 0.40 C ATOM 219 OG SER A 15 -9.534 -1.389 -9.343 1.00 1.30 O ATOM 0 H SER A 15 -7.276 -0.680 -9.825 1.00 0.27 H new ATOM 0 HA SER A 15 -7.876 0.695 -7.306 1.00 0.32 H new ATOM 0 HB2 SER A 15 -10.094 -0.434 -7.609 1.00 0.40 H new ATOM 0 HB3 SER A 15 -9.666 0.624 -8.939 1.00 0.40 H new ATOM 0 HG SER A 15 -10.457 -1.429 -9.670 1.00 1.30 H new ATOM 225 N LEU A 16 -7.555 -1.161 -5.712 1.00 0.31 N ATOM 226 CA LEU A 16 -7.266 -2.216 -4.750 1.00 0.30 C ATOM 227 C LEU A 16 -8.511 -3.043 -4.459 1.00 0.29 C ATOM 228 O LEU A 16 -9.602 -2.498 -4.292 1.00 0.37 O ATOM 229 CB LEU A 16 -6.731 -1.617 -3.446 1.00 0.34 C ATOM 230 CG LEU A 16 -5.335 -1.004 -3.541 1.00 0.35 C ATOM 231 CD1 LEU A 16 -5.204 0.176 -2.593 1.00 1.11 C ATOM 232 CD2 LEU A 16 -4.271 -2.047 -3.235 1.00 0.98 C ATOM 0 H LEU A 16 -7.662 -0.234 -5.300 1.00 0.31 H new ATOM 0 HA LEU A 16 -6.508 -2.867 -5.185 1.00 0.30 H new ATOM 0 HB2 LEU A 16 -7.426 -0.850 -3.105 1.00 0.34 H new ATOM 0 HB3 LEU A 16 -6.718 -2.397 -2.684 1.00 0.34 H new ATOM 0 HG LEU A 16 -5.188 -0.647 -4.560 1.00 0.35 H new ATOM 0 HD11 LEU A 16 -4.203 0.599 -2.675 1.00 1.11 H new ATOM 0 HD12 LEU A 16 -5.941 0.935 -2.853 1.00 1.11 H new ATOM 0 HD13 LEU A 16 -5.374 -0.159 -1.570 1.00 1.11 H new ATOM 0 HD21 LEU A 16 -3.283 -1.591 -3.308 1.00 0.98 H new ATOM 0 HD22 LEU A 16 -4.419 -2.433 -2.226 1.00 0.98 H new ATOM 0 HD23 LEU A 16 -4.347 -2.865 -3.951 1.00 0.98 H new ATOM 244 N SER A 17 -8.345 -4.358 -4.414 1.00 0.21 N ATOM 245 CA SER A 17 -9.458 -5.253 -4.133 1.00 0.21 C ATOM 246 C SER A 17 -9.007 -6.423 -3.265 1.00 0.19 C ATOM 247 O SER A 17 -8.035 -7.108 -3.583 1.00 0.22 O ATOM 248 CB SER A 17 -10.064 -5.771 -5.439 1.00 0.25 C ATOM 249 OG SER A 17 -10.550 -4.703 -6.233 1.00 0.98 O ATOM 0 H SER A 17 -7.453 -4.827 -4.568 1.00 0.21 H new ATOM 0 HA SER A 17 -10.217 -4.692 -3.588 1.00 0.21 H new ATOM 0 HB2 SER A 17 -9.312 -6.330 -5.996 1.00 0.25 H new ATOM 0 HB3 SER A 17 -10.877 -6.463 -5.218 1.00 0.25 H new ATOM 0 HG SER A 17 -10.931 -5.059 -7.063 1.00 0.98 H new ATOM 255 N THR A 18 -9.723 -6.643 -2.166 1.00 0.18 N ATOM 256 CA THR A 18 -9.405 -7.729 -1.250 1.00 0.19 C ATOM 257 C THR A 18 -9.572 -9.079 -1.933 1.00 0.21 C ATOM 258 O THR A 18 -10.272 -9.193 -2.940 1.00 0.31 O ATOM 259 CB THR A 18 -10.304 -7.684 -0.001 1.00 0.18 C ATOM 260 OG1 THR A 18 -11.658 -7.987 -0.360 1.00 0.23 O ATOM 261 CG2 THR A 18 -10.247 -6.313 0.656 1.00 0.18 C ATOM 0 H THR A 18 -10.528 -6.081 -1.890 1.00 0.18 H new ATOM 0 HA THR A 18 -8.366 -7.602 -0.946 1.00 0.19 H new ATOM 0 HB THR A 18 -9.940 -8.428 0.708 1.00 0.18 H new ATOM 0 HG1 THR A 18 -12.223 -7.958 0.440 1.00 0.23 H new ATOM 0 HG21 THR A 18 -10.890 -6.304 1.536 1.00 0.18 H new ATOM 0 HG22 THR A 18 -9.221 -6.094 0.953 1.00 0.18 H new ATOM 0 HG23 THR A 18 -10.589 -5.557 -0.050 1.00 0.18 H new ATOM 269 N TYR A 19 -8.926 -10.100 -1.380 1.00 0.21 N ATOM 270 CA TYR A 19 -8.996 -11.446 -1.937 1.00 0.23 C ATOM 271 C TYR A 19 -10.431 -11.969 -1.917 1.00 0.24 C ATOM 272 O TYR A 19 -10.742 -12.983 -2.543 1.00 0.29 O ATOM 273 CB TYR A 19 -8.081 -12.388 -1.152 1.00 0.28 C ATOM 274 CG TYR A 19 -7.957 -13.768 -1.758 1.00 0.33 C ATOM 275 CD1 TYR A 19 -7.232 -13.974 -2.924 1.00 0.39 C ATOM 276 CD2 TYR A 19 -8.566 -14.866 -1.162 1.00 0.36 C ATOM 277 CE1 TYR A 19 -7.116 -15.234 -3.479 1.00 0.45 C ATOM 278 CE2 TYR A 19 -8.454 -16.127 -1.710 1.00 0.42 C ATOM 279 CZ TYR A 19 -7.729 -16.307 -2.868 1.00 0.45 C ATOM 280 OH TYR A 19 -7.615 -17.564 -3.418 1.00 0.52 O ATOM 0 H TYR A 19 -8.347 -10.021 -0.544 1.00 0.21 H new ATOM 0 HA TYR A 19 -8.661 -11.406 -2.973 1.00 0.23 H new ATOM 0 HB2 TYR A 19 -7.089 -11.942 -1.083 1.00 0.28 H new ATOM 0 HB3 TYR A 19 -8.459 -12.482 -0.134 1.00 0.28 H new ATOM 0 HD1 TYR A 19 -6.751 -13.135 -3.405 1.00 0.39 H new ATOM 0 HD2 TYR A 19 -9.136 -14.730 -0.255 1.00 0.36 H new ATOM 0 HE1 TYR A 19 -6.548 -15.377 -4.386 1.00 0.45 H new ATOM 0 HE2 TYR A 19 -8.933 -16.970 -1.233 1.00 0.42 H new ATOM 0 HH TYR A 19 -8.104 -18.209 -2.865 1.00 0.52 H new ATOM 290 N ASN A 20 -11.302 -11.269 -1.196 1.00 0.22 N ATOM 291 CA ASN A 20 -12.704 -11.656 -1.099 1.00 0.27 C ATOM 292 C ASN A 20 -13.514 -11.047 -2.240 1.00 0.26 C ATOM 293 O ASN A 20 -14.739 -10.950 -2.165 1.00 0.30 O ATOM 294 CB ASN A 20 -13.285 -11.216 0.247 1.00 0.32 C ATOM 295 CG ASN A 20 -12.556 -11.838 1.421 1.00 1.21 C ATOM 296 OD1 ASN A 20 -12.035 -12.949 1.324 1.00 2.23 O ATOM 297 ND2 ASN A 20 -12.517 -11.125 2.540 1.00 1.58 N ATOM 0 H ASN A 20 -11.060 -10.429 -0.670 1.00 0.22 H new ATOM 0 HA ASN A 20 -12.763 -12.742 -1.173 1.00 0.27 H new ATOM 0 HB2 ASN A 20 -13.233 -10.130 0.325 1.00 0.32 H new ATOM 0 HB3 ASN A 20 -14.339 -11.489 0.291 1.00 0.32 H new ATOM 0 HD21 ASN A 20 -12.042 -11.494 3.364 1.00 1.58 H new ATOM 0 HD22 ASN A 20 -12.962 -10.208 2.576 1.00 1.58 H new ATOM 304 N ASP A 21 -12.813 -10.637 -3.295 1.00 0.26 N ATOM 305 CA ASP A 21 -13.449 -10.037 -4.464 1.00 0.30 C ATOM 306 C ASP A 21 -14.226 -8.777 -4.089 1.00 0.31 C ATOM 307 O ASP A 21 -15.347 -8.566 -4.553 1.00 0.54 O ATOM 308 CB ASP A 21 -14.379 -11.046 -5.145 1.00 0.36 C ATOM 309 CG ASP A 21 -13.635 -12.266 -5.650 1.00 1.14 C ATOM 310 OD1 ASP A 21 -13.062 -12.195 -6.759 1.00 1.01 O ATOM 311 OD2 ASP A 21 -13.626 -13.294 -4.941 1.00 2.07 O ATOM 0 H ASP A 21 -11.798 -10.710 -3.363 1.00 0.26 H new ATOM 0 HA ASP A 21 -12.661 -9.754 -5.161 1.00 0.30 H new ATOM 0 HB2 ASP A 21 -15.150 -11.359 -4.440 1.00 0.36 H new ATOM 0 HB3 ASP A 21 -14.887 -10.562 -5.979 1.00 0.36 H new ATOM 316 N GLN A 22 -13.624 -7.944 -3.244 1.00 0.22 N ATOM 317 CA GLN A 22 -14.257 -6.701 -2.812 1.00 0.21 C ATOM 318 C GLN A 22 -13.347 -5.508 -3.092 1.00 0.20 C ATOM 319 O GLN A 22 -12.166 -5.527 -2.751 1.00 0.29 O ATOM 320 CB GLN A 22 -14.595 -6.759 -1.321 1.00 0.22 C ATOM 321 CG GLN A 22 -15.530 -7.900 -0.950 1.00 0.30 C ATOM 322 CD GLN A 22 -15.975 -7.850 0.501 1.00 0.37 C ATOM 323 OE1 GLN A 22 -16.220 -8.885 1.121 1.00 1.13 O ATOM 324 NE2 GLN A 22 -16.087 -6.644 1.048 1.00 1.17 N ATOM 0 H GLN A 22 -12.699 -8.107 -2.845 1.00 0.22 H new ATOM 0 HA GLN A 22 -15.181 -6.578 -3.378 1.00 0.21 H new ATOM 0 HB2 GLN A 22 -13.671 -6.859 -0.752 1.00 0.22 H new ATOM 0 HB3 GLN A 22 -15.052 -5.815 -1.024 1.00 0.22 H new ATOM 0 HG2 GLN A 22 -16.408 -7.868 -1.595 1.00 0.30 H new ATOM 0 HG3 GLN A 22 -15.029 -8.850 -1.139 1.00 0.30 H new ATOM 0 HE21 GLN A 22 -15.874 -5.812 0.497 1.00 1.17 H new ATOM 0 HE22 GLN A 22 -16.386 -6.550 2.019 1.00 1.17 H new ATOM 333 N SER A 23 -13.904 -4.475 -3.712 1.00 0.29 N ATOM 334 CA SER A 23 -13.136 -3.276 -4.040 1.00 0.31 C ATOM 335 C SER A 23 -13.070 -2.326 -2.849 1.00 0.26 C ATOM 336 O SER A 23 -14.013 -2.232 -2.062 1.00 0.23 O ATOM 337 CB SER A 23 -13.754 -2.560 -5.241 1.00 0.37 C ATOM 338 OG SER A 23 -13.749 -3.391 -6.390 1.00 1.17 O ATOM 0 H SER A 23 -14.882 -4.441 -3.998 1.00 0.29 H new ATOM 0 HA SER A 23 -12.122 -3.586 -4.292 1.00 0.31 H new ATOM 0 HB2 SER A 23 -14.777 -2.266 -5.006 1.00 0.37 H new ATOM 0 HB3 SER A 23 -13.199 -1.645 -5.448 1.00 0.37 H new ATOM 0 HG SER A 23 -14.001 -2.863 -7.176 1.00 1.17 H new ATOM 344 N ILE A 24 -11.947 -1.621 -2.723 1.00 0.28 N ATOM 345 CA ILE A 24 -11.755 -0.676 -1.632 1.00 0.26 C ATOM 346 C ILE A 24 -12.361 0.678 -1.981 1.00 0.26 C ATOM 347 O ILE A 24 -12.097 1.226 -3.052 1.00 0.45 O ATOM 348 CB ILE A 24 -10.259 -0.477 -1.311 1.00 0.29 C ATOM 349 CG1 ILE A 24 -9.529 -1.823 -1.257 1.00 0.32 C ATOM 350 CG2 ILE A 24 -10.092 0.280 0.001 1.00 0.31 C ATOM 351 CD1 ILE A 24 -9.942 -2.709 -0.103 1.00 0.31 C ATOM 0 H ILE A 24 -11.157 -1.689 -3.365 1.00 0.28 H new ATOM 0 HA ILE A 24 -12.254 -1.094 -0.758 1.00 0.26 H new ATOM 0 HB ILE A 24 -9.814 0.116 -2.110 1.00 0.29 H new ATOM 0 HG12 ILE A 24 -9.706 -2.357 -2.191 1.00 0.32 H new ATOM 0 HG13 ILE A 24 -8.457 -1.639 -1.193 1.00 0.32 H new ATOM 0 HG21 ILE A 24 -9.031 0.412 0.212 1.00 0.31 H new ATOM 0 HG22 ILE A 24 -10.570 1.256 -0.079 1.00 0.31 H new ATOM 0 HG23 ILE A 24 -10.555 -0.286 0.809 1.00 0.31 H new ATOM 0 HD11 ILE A 24 -9.378 -3.641 -0.140 1.00 0.31 H new ATOM 0 HD12 ILE A 24 -9.739 -2.198 0.838 1.00 0.31 H new ATOM 0 HD13 ILE A 24 -11.008 -2.927 -0.175 1.00 0.31 H new ATOM 363 N THR A 25 -13.175 1.213 -1.079 1.00 0.32 N ATOM 364 CA THR A 25 -13.811 2.506 -1.299 1.00 0.35 C ATOM 365 C THR A 25 -13.318 3.535 -0.287 1.00 0.38 C ATOM 366 O THR A 25 -13.583 3.420 0.910 1.00 0.46 O ATOM 367 CB THR A 25 -15.347 2.404 -1.210 1.00 0.40 C ATOM 368 OG1 THR A 25 -15.833 1.495 -2.204 1.00 0.40 O ATOM 369 CG2 THR A 25 -15.994 3.768 -1.406 1.00 0.44 C ATOM 0 H THR A 25 -13.410 0.772 -0.190 1.00 0.32 H new ATOM 0 HA THR A 25 -13.538 2.827 -2.304 1.00 0.35 H new ATOM 0 HB THR A 25 -15.608 2.035 -0.218 1.00 0.40 H new ATOM 0 HG1 THR A 25 -16.436 1.969 -2.814 1.00 0.40 H new ATOM 0 HG21 THR A 25 -17.077 3.670 -1.339 1.00 0.44 H new ATOM 0 HG22 THR A 25 -15.643 4.452 -0.633 1.00 0.44 H new ATOM 0 HG23 THR A 25 -15.725 4.161 -2.387 1.00 0.44 H new ATOM 377 N PHE A 26 -12.597 4.537 -0.778 1.00 0.37 N ATOM 378 CA PHE A 26 -12.067 5.587 0.082 1.00 0.40 C ATOM 379 C PHE A 26 -13.023 6.775 0.146 1.00 0.48 C ATOM 380 O PHE A 26 -12.951 7.688 -0.675 1.00 0.52 O ATOM 381 CB PHE A 26 -10.698 6.046 -0.423 1.00 0.39 C ATOM 382 CG PHE A 26 -9.625 5.008 -0.265 1.00 0.36 C ATOM 383 CD1 PHE A 26 -9.397 4.076 -1.265 1.00 0.38 C ATOM 384 CD2 PHE A 26 -8.844 4.966 0.878 1.00 0.37 C ATOM 385 CE1 PHE A 26 -8.410 3.119 -1.125 1.00 0.40 C ATOM 386 CE2 PHE A 26 -7.857 4.011 1.023 1.00 0.38 C ATOM 387 CZ PHE A 26 -7.640 3.086 0.031 1.00 0.39 C ATOM 0 H PHE A 26 -12.367 4.644 -1.766 1.00 0.37 H new ATOM 0 HA PHE A 26 -11.958 5.178 1.086 1.00 0.40 H new ATOM 0 HB2 PHE A 26 -10.779 6.316 -1.476 1.00 0.39 H new ATOM 0 HB3 PHE A 26 -10.404 6.947 0.116 1.00 0.39 H new ATOM 0 HD1 PHE A 26 -9.997 4.098 -2.163 1.00 0.38 H new ATOM 0 HD2 PHE A 26 -9.009 5.688 1.664 1.00 0.37 H new ATOM 0 HE1 PHE A 26 -8.238 2.399 -1.912 1.00 0.40 H new ATOM 0 HE2 PHE A 26 -7.254 3.991 1.919 1.00 0.38 H new ATOM 0 HZ PHE A 26 -6.873 2.335 0.149 1.00 0.39 H new ATOM 397 N ALA A 27 -13.916 6.751 1.130 1.00 0.53 N ATOM 398 CA ALA A 27 -14.877 7.832 1.309 1.00 0.62 C ATOM 399 C ALA A 27 -14.313 8.890 2.245 1.00 0.64 C ATOM 400 O ALA A 27 -14.522 8.838 3.458 1.00 0.65 O ATOM 401 CB ALA A 27 -16.192 7.292 1.850 1.00 0.65 C ATOM 0 H ALA A 27 -13.994 5.998 1.813 1.00 0.53 H new ATOM 0 HA ALA A 27 -15.066 8.291 0.339 1.00 0.62 H new ATOM 0 HB1 ALA A 27 -16.898 8.113 1.977 1.00 0.65 H new ATOM 0 HB2 ALA A 27 -16.603 6.566 1.149 1.00 0.65 H new ATOM 0 HB3 ALA A 27 -16.019 6.810 2.812 1.00 0.65 H new ATOM 479 N TYR A 33 -12.119 11.538 6.814 1.00 0.57 N ATOM 480 CA TYR A 33 -11.388 10.432 6.206 1.00 0.50 C ATOM 481 C TYR A 33 -11.975 9.094 6.642 1.00 0.46 C ATOM 482 O TYR A 33 -11.660 8.588 7.719 1.00 0.59 O ATOM 483 CB TYR A 33 -9.904 10.495 6.577 1.00 0.53 C ATOM 484 CG TYR A 33 -9.192 11.708 6.029 1.00 0.60 C ATOM 485 CD1 TYR A 33 -8.804 11.769 4.696 1.00 0.58 C ATOM 486 CD2 TYR A 33 -8.907 12.795 6.844 1.00 0.72 C ATOM 487 CE1 TYR A 33 -8.153 12.878 4.192 1.00 0.67 C ATOM 488 CE2 TYR A 33 -8.256 13.910 6.348 1.00 0.80 C ATOM 489 CZ TYR A 33 -7.878 13.940 5.016 1.00 0.76 C ATOM 490 OH TYR A 33 -7.233 15.051 4.523 1.00 0.86 O ATOM 0 HA TYR A 33 -11.483 10.521 5.124 1.00 0.50 H new ATOM 0 HB2 TYR A 33 -9.810 10.489 7.663 1.00 0.53 H new ATOM 0 HB3 TYR A 33 -9.408 9.597 6.209 1.00 0.53 H new ATOM 0 HD1 TYR A 33 -9.015 10.935 4.043 1.00 0.58 H new ATOM 0 HD2 TYR A 33 -9.199 12.770 7.884 1.00 0.72 H new ATOM 0 HE1 TYR A 33 -7.861 12.909 3.153 1.00 0.67 H new ATOM 0 HE2 TYR A 33 -8.044 14.750 6.994 1.00 0.80 H new ATOM 0 HH TYR A 33 -6.804 14.829 3.670 1.00 0.86 H new ATOM 500 N GLU A 34 -12.831 8.528 5.799 1.00 0.46 N ATOM 501 CA GLU A 34 -13.466 7.250 6.098 1.00 0.42 C ATOM 502 C GLU A 34 -13.109 6.206 5.045 1.00 0.39 C ATOM 503 O GLU A 34 -13.180 6.470 3.844 1.00 0.46 O ATOM 504 CB GLU A 34 -14.985 7.418 6.175 1.00 0.50 C ATOM 505 CG GLU A 34 -15.433 8.434 7.215 1.00 0.55 C ATOM 506 CD GLU A 34 -15.032 8.041 8.623 1.00 1.50 C ATOM 507 OE1 GLU A 34 -15.758 7.236 9.245 1.00 1.48 O ATOM 508 OE2 GLU A 34 -13.992 8.539 9.105 1.00 2.46 O ATOM 0 H GLU A 34 -13.101 8.934 4.903 1.00 0.46 H new ATOM 0 HA GLU A 34 -13.097 6.905 7.064 1.00 0.42 H new ATOM 0 HB2 GLU A 34 -15.359 7.722 5.197 1.00 0.50 H new ATOM 0 HB3 GLU A 34 -15.438 6.453 6.403 1.00 0.50 H new ATOM 0 HG2 GLU A 34 -15.003 9.407 6.977 1.00 0.55 H new ATOM 0 HG3 GLU A 34 -16.516 8.544 7.167 1.00 0.55 H new ATOM 515 N ILE A 35 -12.726 5.019 5.503 1.00 0.34 N ATOM 516 CA ILE A 35 -12.354 3.934 4.602 1.00 0.32 C ATOM 517 C ILE A 35 -13.242 2.714 4.811 1.00 0.26 C ATOM 518 O ILE A 35 -13.366 2.206 5.926 1.00 0.32 O ATOM 519 CB ILE A 35 -10.881 3.527 4.800 1.00 0.39 C ATOM 520 CG1 ILE A 35 -9.968 4.742 4.617 1.00 0.46 C ATOM 521 CG2 ILE A 35 -10.502 2.417 3.828 1.00 0.44 C ATOM 522 CD1 ILE A 35 -8.511 4.460 4.913 1.00 0.54 C ATOM 0 H ILE A 35 -12.665 4.784 6.494 1.00 0.34 H new ATOM 0 HA ILE A 35 -12.490 4.303 3.586 1.00 0.32 H new ATOM 0 HB ILE A 35 -10.754 3.150 5.815 1.00 0.39 H new ATOM 0 HG12 ILE A 35 -10.058 5.102 3.592 1.00 0.46 H new ATOM 0 HG13 ILE A 35 -10.313 5.545 5.268 1.00 0.46 H new ATOM 0 HG21 ILE A 35 -9.459 2.141 3.980 1.00 0.44 H new ATOM 0 HG22 ILE A 35 -11.137 1.548 4.002 1.00 0.44 H new ATOM 0 HG23 ILE A 35 -10.639 2.767 2.805 1.00 0.44 H new ATOM 0 HD11 ILE A 35 -7.927 5.368 4.761 1.00 0.54 H new ATOM 0 HD12 ILE A 35 -8.407 4.130 5.947 1.00 0.54 H new ATOM 0 HD13 ILE A 35 -8.148 3.679 4.244 1.00 0.54 H new ATOM 534 N TYR A 36 -13.860 2.247 3.729 1.00 0.21 N ATOM 535 CA TYR A 36 -14.738 1.084 3.787 1.00 0.21 C ATOM 536 C TYR A 36 -14.599 0.234 2.526 1.00 0.23 C ATOM 537 O TYR A 36 -14.481 0.762 1.420 1.00 0.48 O ATOM 538 CB TYR A 36 -16.194 1.522 3.960 1.00 0.29 C ATOM 539 CG TYR A 36 -16.492 2.143 5.307 1.00 1.07 C ATOM 540 CD1 TYR A 36 -16.786 1.348 6.408 1.00 2.26 C ATOM 541 CD2 TYR A 36 -16.479 3.521 5.477 1.00 0.96 C ATOM 542 CE1 TYR A 36 -17.061 1.910 7.640 1.00 3.30 C ATOM 543 CE2 TYR A 36 -16.751 4.091 6.706 1.00 1.97 C ATOM 544 CZ TYR A 36 -17.042 3.281 7.785 1.00 3.14 C ATOM 545 OH TYR A 36 -17.316 3.845 9.009 1.00 4.17 O ATOM 0 H TYR A 36 -13.768 2.658 2.800 1.00 0.21 H new ATOM 0 HA TYR A 36 -14.443 0.482 4.646 1.00 0.21 H new ATOM 0 HB2 TYR A 36 -16.443 2.239 3.177 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -16.842 0.657 3.818 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -16.800 0.274 6.299 1.00 2.26 H new ATOM 0 HD2 TYR A 36 -16.253 4.158 4.635 1.00 0.96 H new ATOM 0 HE1 TYR A 36 -17.290 1.278 8.486 1.00 3.30 H new ATOM 0 HE2 TYR A 36 -16.736 5.165 6.822 1.00 1.97 H new ATOM 0 HH TYR A 36 -17.260 4.821 8.940 1.00 4.17 H new ATOM 555 N VAL A 37 -14.613 -1.084 2.705 1.00 0.19 N ATOM 556 CA VAL A 37 -14.496 -2.012 1.586 1.00 0.17 C ATOM 557 C VAL A 37 -15.872 -2.492 1.137 1.00 0.18 C ATOM 558 O VAL A 37 -16.621 -3.074 1.922 1.00 0.27 O ATOM 559 CB VAL A 37 -13.635 -3.235 1.960 1.00 0.21 C ATOM 560 CG1 VAL A 37 -13.492 -4.178 0.774 1.00 0.24 C ATOM 561 CG2 VAL A 37 -12.269 -2.795 2.463 1.00 0.24 C ATOM 0 H VAL A 37 -14.704 -1.533 3.616 1.00 0.19 H new ATOM 0 HA VAL A 37 -14.013 -1.474 0.770 1.00 0.17 H new ATOM 0 HB VAL A 37 -14.139 -3.773 2.763 1.00 0.21 H new ATOM 0 HG11 VAL A 37 -12.881 -5.034 1.061 1.00 0.24 H new ATOM 0 HG12 VAL A 37 -14.478 -4.524 0.464 1.00 0.24 H new ATOM 0 HG13 VAL A 37 -13.015 -3.652 -0.053 1.00 0.24 H new ATOM 0 HG21 VAL A 37 -11.677 -3.673 2.722 1.00 0.24 H new ATOM 0 HG22 VAL A 37 -11.759 -2.230 1.683 1.00 0.24 H new ATOM 0 HG23 VAL A 37 -12.391 -2.167 3.345 1.00 0.24 H new ATOM 571 N GLU A 38 -16.201 -2.245 -0.127 1.00 0.24 N ATOM 572 CA GLU A 38 -17.490 -2.652 -0.674 1.00 0.27 C ATOM 573 C GLU A 38 -17.330 -3.809 -1.656 1.00 0.31 C ATOM 574 O GLU A 38 -16.296 -3.945 -2.309 1.00 0.39 O ATOM 575 CB GLU A 38 -18.170 -1.470 -1.367 1.00 0.29 C ATOM 576 CG GLU A 38 -18.375 -0.270 -0.458 1.00 0.33 C ATOM 577 CD GLU A 38 -19.152 0.844 -1.133 1.00 1.05 C ATOM 578 OE1 GLU A 38 -18.517 1.704 -1.779 1.00 2.07 O ATOM 579 OE2 GLU A 38 -20.396 0.856 -1.015 1.00 0.89 O ATOM 0 H GLU A 38 -15.593 -1.765 -0.791 1.00 0.24 H new ATOM 0 HA GLU A 38 -18.114 -2.989 0.154 1.00 0.27 H new ATOM 0 HB2 GLU A 38 -17.569 -1.167 -2.225 1.00 0.29 H new ATOM 0 HB3 GLU A 38 -19.137 -1.793 -1.753 1.00 0.29 H new ATOM 0 HG2 GLU A 38 -18.905 -0.585 0.441 1.00 0.33 H new ATOM 0 HG3 GLU A 38 -17.405 0.110 -0.139 1.00 0.33 H new ATOM 586 N ASP A 39 -18.366 -4.639 -1.754 1.00 0.35 N ATOM 587 CA ASP A 39 -18.348 -5.786 -2.658 1.00 0.43 C ATOM 588 C ASP A 39 -19.127 -5.487 -3.935 1.00 0.47 C ATOM 589 O ASP A 39 -20.277 -5.048 -3.886 1.00 0.61 O ATOM 590 CB ASP A 39 -18.938 -7.015 -1.964 1.00 0.52 C ATOM 591 CG ASP A 39 -18.997 -8.223 -2.878 1.00 1.42 C ATOM 592 OD1 ASP A 39 -17.990 -8.958 -2.956 1.00 1.91 O ATOM 593 OD2 ASP A 39 -20.051 -8.434 -3.516 1.00 2.20 O ATOM 0 H ASP A 39 -19.228 -4.539 -1.218 1.00 0.35 H new ATOM 0 HA ASP A 39 -17.311 -5.989 -2.927 1.00 0.43 H new ATOM 0 HB2 ASP A 39 -18.338 -7.256 -1.086 1.00 0.52 H new ATOM 0 HB3 ASP A 39 -19.942 -6.782 -1.610 1.00 0.52 H new ATOM 598 N LEU A 40 -18.493 -5.730 -5.079 1.00 0.46 N ATOM 599 CA LEU A 40 -19.127 -5.487 -6.372 1.00 0.53 C ATOM 600 C LEU A 40 -20.274 -6.467 -6.609 1.00 0.57 C ATOM 601 O LEU A 40 -20.117 -7.676 -6.438 1.00 0.62 O ATOM 602 CB LEU A 40 -18.097 -5.604 -7.501 1.00 0.62 C ATOM 603 CG LEU A 40 -16.986 -4.551 -7.486 1.00 0.86 C ATOM 604 CD1 LEU A 40 -15.985 -4.812 -8.600 1.00 1.05 C ATOM 605 CD2 LEU A 40 -17.572 -3.153 -7.619 1.00 1.02 C ATOM 0 H LEU A 40 -17.542 -6.094 -5.137 1.00 0.46 H new ATOM 0 HA LEU A 40 -19.533 -4.475 -6.365 1.00 0.53 H new ATOM 0 HB2 LEU A 40 -17.639 -6.592 -7.452 1.00 0.62 H new ATOM 0 HB3 LEU A 40 -18.620 -5.543 -8.455 1.00 0.62 H new ATOM 0 HG LEU A 40 -16.465 -4.619 -6.531 1.00 0.86 H new ATOM 0 HD11 LEU A 40 -15.203 -4.053 -8.572 1.00 1.05 H new ATOM 0 HD12 LEU A 40 -15.539 -5.797 -8.465 1.00 1.05 H new ATOM 0 HD13 LEU A 40 -16.494 -4.773 -9.563 1.00 1.05 H new ATOM 0 HD21 LEU A 40 -16.767 -2.418 -7.606 1.00 1.02 H new ATOM 0 HD22 LEU A 40 -18.119 -3.076 -8.559 1.00 1.02 H new ATOM 0 HD23 LEU A 40 -18.250 -2.962 -6.787 1.00 1.02 H new ATOM 732 N ASP A 47 -13.584 3.352 -6.809 1.00 0.48 N ATOM 733 CA ASP A 47 -12.488 4.315 -6.814 1.00 0.44 C ATOM 734 C ASP A 47 -11.160 3.646 -7.156 1.00 0.39 C ATOM 735 O ASP A 47 -10.879 2.534 -6.711 1.00 0.42 O ATOM 736 CB ASP A 47 -12.384 4.996 -5.448 1.00 0.45 C ATOM 737 CG ASP A 47 -13.668 5.698 -5.053 1.00 1.22 C ATOM 738 OD1 ASP A 47 -14.527 5.049 -4.417 1.00 2.20 O ATOM 739 OD2 ASP A 47 -13.817 6.894 -5.378 1.00 1.14 O ATOM 0 HA ASP A 47 -12.701 5.060 -7.580 1.00 0.44 H new ATOM 0 HB2 ASP A 47 -12.133 4.252 -4.692 1.00 0.45 H new ATOM 0 HB3 ASP A 47 -11.569 5.719 -5.467 1.00 0.45 H new ATOM 744 N LYS A 48 -10.346 4.337 -7.950 1.00 0.37 N ATOM 745 CA LYS A 48 -9.041 3.824 -8.349 1.00 0.34 C ATOM 746 C LYS A 48 -7.939 4.438 -7.494 1.00 0.30 C ATOM 747 O LYS A 48 -8.141 5.475 -6.861 1.00 0.39 O ATOM 748 CB LYS A 48 -8.781 4.119 -9.829 1.00 0.41 C ATOM 749 CG LYS A 48 -9.365 3.079 -10.776 1.00 0.46 C ATOM 750 CD LYS A 48 -10.871 2.948 -10.613 1.00 0.64 C ATOM 751 CE LYS A 48 -11.453 1.940 -11.590 1.00 0.82 C ATOM 752 NZ LYS A 48 -12.899 1.694 -11.337 1.00 1.35 N ATOM 0 H LYS A 48 -10.570 5.257 -8.330 1.00 0.37 H new ATOM 0 HA LYS A 48 -9.038 2.744 -8.199 1.00 0.34 H new ATOM 0 HB2 LYS A 48 -9.199 5.095 -10.074 1.00 0.41 H new ATOM 0 HB3 LYS A 48 -7.705 4.183 -9.993 1.00 0.41 H new ATOM 0 HG2 LYS A 48 -9.134 3.354 -11.805 1.00 0.46 H new ATOM 0 HG3 LYS A 48 -8.894 2.114 -10.590 1.00 0.46 H new ATOM 0 HD2 LYS A 48 -11.102 2.642 -9.593 1.00 0.64 H new ATOM 0 HD3 LYS A 48 -11.340 3.919 -10.768 1.00 0.64 H new ATOM 0 HE2 LYS A 48 -11.319 2.303 -12.609 1.00 0.82 H new ATOM 0 HE3 LYS A 48 -10.906 1.001 -11.512 1.00 0.82 H new ATOM 0 HZ1 LYS A 48 -13.259 1.001 -12.024 1.00 1.35 H new ATOM 0 HZ2 LYS A 48 -13.025 1.324 -10.373 1.00 1.35 H new ATOM 0 HZ3 LYS A 48 -13.425 2.585 -11.437 1.00 1.35 H new ATOM 766 N VAL A 49 -6.774 3.798 -7.475 1.00 0.29 N ATOM 767 CA VAL A 49 -5.650 4.291 -6.686 1.00 0.27 C ATOM 768 C VAL A 49 -4.379 4.381 -7.523 1.00 0.23 C ATOM 769 O VAL A 49 -3.954 3.402 -8.135 1.00 0.28 O ATOM 770 CB VAL A 49 -5.378 3.392 -5.465 1.00 0.31 C ATOM 771 CG1 VAL A 49 -4.305 4.006 -4.578 1.00 0.61 C ATOM 772 CG2 VAL A 49 -6.658 3.155 -4.677 1.00 0.87 C ATOM 0 H VAL A 49 -6.584 2.941 -7.994 1.00 0.29 H new ATOM 0 HA VAL A 49 -5.927 5.288 -6.343 1.00 0.27 H new ATOM 0 HB VAL A 49 -5.016 2.428 -5.822 1.00 0.31 H new ATOM 0 HG11 VAL A 49 -4.126 3.357 -3.721 1.00 0.61 H new ATOM 0 HG12 VAL A 49 -3.382 4.117 -5.147 1.00 0.61 H new ATOM 0 HG13 VAL A 49 -4.637 4.984 -4.230 1.00 0.61 H new ATOM 0 HG21 VAL A 49 -6.444 2.518 -3.819 1.00 0.87 H new ATOM 0 HG22 VAL A 49 -7.054 4.110 -4.331 1.00 0.87 H new ATOM 0 HG23 VAL A 49 -7.394 2.668 -5.316 1.00 0.87 H new ATOM 782 N LEU A 50 -3.777 5.566 -7.541 1.00 0.21 N ATOM 783 CA LEU A 50 -2.546 5.789 -8.288 1.00 0.21 C ATOM 784 C LEU A 50 -1.368 5.144 -7.564 1.00 0.20 C ATOM 785 O LEU A 50 -1.021 5.543 -6.451 1.00 0.26 O ATOM 786 CB LEU A 50 -2.297 7.289 -8.467 1.00 0.24 C ATOM 787 CG LEU A 50 -1.042 7.652 -9.264 1.00 0.29 C ATOM 788 CD1 LEU A 50 -1.170 7.187 -10.706 1.00 0.31 C ATOM 789 CD2 LEU A 50 -0.789 9.150 -9.204 1.00 0.35 C ATOM 0 H LEU A 50 -4.123 6.388 -7.045 1.00 0.21 H new ATOM 0 HA LEU A 50 -2.648 5.332 -9.272 1.00 0.21 H new ATOM 0 HB2 LEU A 50 -3.162 7.728 -8.964 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -2.228 7.749 -7.481 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.190 7.141 -8.816 1.00 0.29 H new ATOM 0 HD11 LEU A 50 -0.268 7.454 -11.256 1.00 0.31 H new ATOM 0 HD12 LEU A 50 -1.302 6.105 -10.729 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -2.032 7.668 -11.168 1.00 0.31 H new ATOM 0 HD21 LEU A 50 0.107 9.391 -9.776 1.00 0.35 H new ATOM 0 HD22 LEU A 50 -1.642 9.680 -9.626 1.00 0.35 H new ATOM 0 HD23 LEU A 50 -0.650 9.454 -8.167 1.00 0.35 H new ATOM 801 N LEU A 51 -0.761 4.148 -8.198 1.00 0.20 N ATOM 802 CA LEU A 51 0.367 3.443 -7.603 1.00 0.22 C ATOM 803 C LEU A 51 1.670 3.728 -8.339 1.00 0.23 C ATOM 804 O LEU A 51 1.712 3.762 -9.571 1.00 0.37 O ATOM 805 CB LEU A 51 0.102 1.940 -7.579 1.00 0.24 C ATOM 806 CG LEU A 51 -0.563 1.438 -6.300 1.00 0.58 C ATOM 807 CD1 LEU A 51 -2.000 1.920 -6.212 1.00 0.98 C ATOM 808 CD2 LEU A 51 -0.500 -0.080 -6.211 1.00 1.50 C ATOM 0 H LEU A 51 -1.030 3.811 -9.122 1.00 0.20 H new ATOM 0 HA LEU A 51 0.475 3.809 -6.582 1.00 0.22 H new ATOM 0 HB2 LEU A 51 -0.530 1.681 -8.429 1.00 0.24 H new ATOM 0 HB3 LEU A 51 1.047 1.414 -7.713 1.00 0.24 H new ATOM 0 HG LEU A 51 -0.013 1.850 -5.454 1.00 0.58 H new ATOM 0 HD11 LEU A 51 -2.452 1.549 -5.292 1.00 0.98 H new ATOM 0 HD12 LEU A 51 -2.019 3.010 -6.212 1.00 0.98 H new ATOM 0 HD13 LEU A 51 -2.562 1.547 -7.068 1.00 0.98 H new ATOM 0 HD21 LEU A 51 -0.981 -0.411 -5.290 1.00 1.50 H new ATOM 0 HD22 LEU A 51 -1.015 -0.516 -7.067 1.00 1.50 H new ATOM 0 HD23 LEU A 51 0.541 -0.402 -6.212 1.00 1.50 H new ATOM 820 N SER A 52 2.733 3.932 -7.564 1.00 0.17 N ATOM 821 CA SER A 52 4.055 4.196 -8.124 1.00 0.18 C ATOM 822 C SER A 52 5.106 3.322 -7.441 1.00 0.20 C ATOM 823 O SER A 52 5.138 3.222 -6.216 1.00 0.28 O ATOM 824 CB SER A 52 4.418 5.674 -7.971 1.00 0.18 C ATOM 825 OG SER A 52 5.648 5.965 -8.611 1.00 1.18 O ATOM 0 H SER A 52 2.704 3.919 -6.545 1.00 0.17 H new ATOM 0 HA SER A 52 4.033 3.952 -9.186 1.00 0.18 H new ATOM 0 HB2 SER A 52 3.628 6.292 -8.397 1.00 0.18 H new ATOM 0 HB3 SER A 52 4.486 5.928 -6.913 1.00 0.18 H new ATOM 0 HG SER A 52 6.356 6.044 -7.938 1.00 1.18 H new ATOM 831 N TYR A 53 5.966 2.699 -8.237 1.00 0.19 N ATOM 832 CA TYR A 53 7.003 1.819 -7.704 1.00 0.21 C ATOM 833 C TYR A 53 8.332 2.550 -7.540 1.00 0.20 C ATOM 834 O TYR A 53 8.599 3.539 -8.222 1.00 0.21 O ATOM 835 CB TYR A 53 7.186 0.605 -8.616 1.00 0.25 C ATOM 836 CG TYR A 53 6.024 -0.363 -8.582 1.00 0.36 C ATOM 837 CD1 TYR A 53 4.805 -0.039 -9.165 1.00 0.52 C ATOM 838 CD2 TYR A 53 6.147 -1.601 -7.964 1.00 0.52 C ATOM 839 CE1 TYR A 53 3.742 -0.922 -9.133 1.00 0.65 C ATOM 840 CE2 TYR A 53 5.089 -2.488 -7.928 1.00 0.64 C ATOM 841 CZ TYR A 53 3.890 -2.145 -8.513 1.00 0.66 C ATOM 842 OH TYR A 53 2.834 -3.027 -8.478 1.00 0.82 O ATOM 0 H TYR A 53 5.967 2.785 -9.253 1.00 0.19 H new ATOM 0 HA TYR A 53 6.679 1.487 -6.718 1.00 0.21 H new ATOM 0 HB2 TYR A 53 7.330 0.950 -9.640 1.00 0.25 H new ATOM 0 HB3 TYR A 53 8.095 0.078 -8.326 1.00 0.25 H new ATOM 0 HD1 TYR A 53 4.686 0.918 -9.651 1.00 0.52 H new ATOM 0 HD2 TYR A 53 7.085 -1.874 -7.504 1.00 0.52 H new ATOM 0 HE1 TYR A 53 2.801 -0.656 -9.591 1.00 0.65 H new ATOM 0 HE2 TYR A 53 5.201 -3.447 -7.443 1.00 0.64 H new ATOM 0 HH TYR A 53 2.218 -2.830 -9.215 1.00 0.82 H new ATOM 852 N TYR A 54 9.160 2.049 -6.624 1.00 0.21 N ATOM 853 CA TYR A 54 10.469 2.641 -6.359 1.00 0.22 C ATOM 854 C TYR A 54 11.508 1.554 -6.093 1.00 0.25 C ATOM 855 O TYR A 54 11.174 0.467 -5.623 1.00 0.31 O ATOM 856 CB TYR A 54 10.394 3.591 -5.162 1.00 0.22 C ATOM 857 CG TYR A 54 9.629 4.866 -5.446 1.00 0.23 C ATOM 858 CD1 TYR A 54 8.247 4.907 -5.320 1.00 0.22 C ATOM 859 CD2 TYR A 54 10.288 6.024 -5.837 1.00 0.31 C ATOM 860 CE1 TYR A 54 7.543 6.066 -5.577 1.00 0.25 C ATOM 861 CE2 TYR A 54 9.591 7.189 -6.093 1.00 0.35 C ATOM 862 CZ TYR A 54 8.229 7.209 -5.974 1.00 0.30 C ATOM 863 OH TYR A 54 7.520 8.364 -6.218 1.00 0.35 O ATOM 0 H TYR A 54 8.946 1.232 -6.052 1.00 0.21 H new ATOM 0 HA TYR A 54 10.770 3.206 -7.241 1.00 0.22 H new ATOM 0 HB2 TYR A 54 9.923 3.073 -4.327 1.00 0.22 H new ATOM 0 HB3 TYR A 54 11.406 3.847 -4.848 1.00 0.22 H new ATOM 0 HD1 TYR A 54 7.714 4.018 -5.016 1.00 0.22 H new ATOM 0 HD2 TYR A 54 11.363 6.014 -5.943 1.00 0.31 H new ATOM 0 HE1 TYR A 54 6.468 6.085 -5.471 1.00 0.25 H new ATOM 0 HE2 TYR A 54 10.121 8.083 -6.387 1.00 0.35 H new ATOM 0 HH TYR A 54 8.137 9.076 -6.486 1.00 0.35 H new ATOM 873 N GLU A 55 12.767 1.854 -6.399 1.00 0.26 N ATOM 874 CA GLU A 55 13.852 0.899 -6.189 1.00 0.30 C ATOM 875 C GLU A 55 14.677 1.263 -4.959 1.00 0.33 C ATOM 876 O GLU A 55 14.969 2.434 -4.717 1.00 0.53 O ATOM 877 CB GLU A 55 14.756 0.833 -7.420 1.00 0.44 C ATOM 878 CG GLU A 55 14.202 -0.031 -8.540 1.00 1.14 C ATOM 879 CD GLU A 55 15.146 -0.130 -9.724 1.00 1.52 C ATOM 880 OE1 GLU A 55 16.015 -1.026 -9.717 1.00 2.05 O ATOM 881 OE2 GLU A 55 15.014 0.689 -10.657 1.00 1.73 O ATOM 0 H GLU A 55 13.061 2.748 -6.792 1.00 0.26 H new ATOM 0 HA GLU A 55 13.403 -0.080 -6.025 1.00 0.30 H new ATOM 0 HB2 GLU A 55 14.915 1.843 -7.797 1.00 0.44 H new ATOM 0 HB3 GLU A 55 15.731 0.446 -7.123 1.00 0.44 H new ATOM 0 HG2 GLU A 55 14.001 -1.031 -8.156 1.00 1.14 H new ATOM 0 HG3 GLU A 55 13.249 0.380 -8.873 1.00 1.14 H new ATOM 888 N SER A 56 15.050 0.247 -4.187 1.00 0.45 N ATOM 889 CA SER A 56 15.844 0.450 -2.981 1.00 0.57 C ATOM 890 C SER A 56 16.926 -0.619 -2.862 1.00 0.83 C ATOM 891 O SER A 56 16.636 -1.779 -2.569 1.00 1.21 O ATOM 892 CB SER A 56 14.946 0.423 -1.743 1.00 0.71 C ATOM 893 OG SER A 56 15.705 0.607 -0.560 1.00 1.19 O ATOM 0 H SER A 56 14.814 -0.727 -4.376 1.00 0.45 H new ATOM 0 HA SER A 56 16.325 1.426 -3.050 1.00 0.57 H new ATOM 0 HB2 SER A 56 14.191 1.205 -1.820 1.00 0.71 H new ATOM 0 HB3 SER A 56 14.416 -0.528 -1.695 1.00 0.71 H new ATOM 0 HG SER A 56 15.109 0.587 0.218 1.00 1.19 H new ATOM 1060 N LYS A 70 16.192 -7.577 -5.208 1.00 0.67 N ATOM 1061 CA LYS A 70 16.003 -6.386 -4.389 1.00 0.60 C ATOM 1062 C LYS A 70 14.519 -6.086 -4.209 1.00 0.51 C ATOM 1063 O LYS A 70 13.727 -6.235 -5.141 1.00 0.50 O ATOM 1064 CB LYS A 70 16.710 -5.186 -5.020 1.00 0.66 C ATOM 1065 CG LYS A 70 18.216 -5.365 -5.167 1.00 0.76 C ATOM 1066 CD LYS A 70 18.969 -4.908 -3.923 1.00 1.25 C ATOM 1067 CE LYS A 70 18.873 -5.922 -2.794 1.00 1.58 C ATOM 1068 NZ LYS A 70 19.360 -7.265 -3.211 1.00 2.43 N ATOM 0 HA LYS A 70 16.440 -6.574 -3.408 1.00 0.60 H new ATOM 0 HB2 LYS A 70 16.278 -4.998 -6.003 1.00 0.66 H new ATOM 0 HB3 LYS A 70 16.516 -4.302 -4.413 1.00 0.66 H new ATOM 0 HG2 LYS A 70 18.439 -6.414 -5.361 1.00 0.76 H new ATOM 0 HG3 LYS A 70 18.566 -4.800 -6.031 1.00 0.76 H new ATOM 0 HD2 LYS A 70 20.017 -4.743 -4.174 1.00 1.25 H new ATOM 0 HD3 LYS A 70 18.567 -3.952 -3.587 1.00 1.25 H new ATOM 0 HE2 LYS A 70 19.456 -5.573 -1.942 1.00 1.58 H new ATOM 0 HE3 LYS A 70 17.838 -5.998 -2.462 1.00 1.58 H new ATOM 0 HZ1 LYS A 70 19.615 -7.819 -2.368 1.00 2.43 H new ATOM 0 HZ2 LYS A 70 18.610 -7.759 -3.736 1.00 2.43 H new ATOM 0 HZ3 LYS A 70 20.196 -7.157 -3.821 1.00 2.43 H new ATOM 1082 N MET A 71 14.149 -5.661 -3.006 1.00 0.45 N ATOM 1083 CA MET A 71 12.758 -5.346 -2.699 1.00 0.36 C ATOM 1084 C MET A 71 12.332 -4.035 -3.354 1.00 0.33 C ATOM 1085 O MET A 71 13.042 -3.031 -3.278 1.00 0.36 O ATOM 1086 CB MET A 71 12.553 -5.270 -1.184 1.00 0.35 C ATOM 1087 CG MET A 71 13.395 -4.203 -0.503 1.00 0.39 C ATOM 1088 SD MET A 71 13.235 -4.235 1.293 1.00 0.40 S ATOM 1089 CE MET A 71 14.272 -2.850 1.751 1.00 0.47 C ATOM 0 H MET A 71 14.793 -5.526 -2.227 1.00 0.45 H new ATOM 0 HA MET A 71 12.135 -6.144 -3.103 1.00 0.36 H new ATOM 0 HB2 MET A 71 11.500 -5.075 -0.979 1.00 0.35 H new ATOM 0 HB3 MET A 71 12.789 -6.240 -0.746 1.00 0.35 H new ATOM 0 HG2 MET A 71 14.441 -4.344 -0.773 1.00 0.39 H new ATOM 0 HG3 MET A 71 13.099 -3.221 -0.873 1.00 0.39 H new ATOM 0 HE1 MET A 71 14.275 -2.741 2.835 1.00 0.47 H new ATOM 0 HE2 MET A 71 15.289 -3.026 1.401 1.00 0.47 H new ATOM 0 HE3 MET A 71 13.884 -1.939 1.296 1.00 0.47 H new ATOM 1099 N LEU A 72 11.169 -4.055 -3.999 1.00 0.30 N ATOM 1100 CA LEU A 72 10.642 -2.871 -4.667 1.00 0.29 C ATOM 1101 C LEU A 72 9.572 -2.197 -3.815 1.00 0.28 C ATOM 1102 O LEU A 72 8.626 -2.842 -3.365 1.00 0.33 O ATOM 1103 CB LEU A 72 10.055 -3.248 -6.030 1.00 0.29 C ATOM 1104 CG LEU A 72 11.051 -3.837 -7.031 1.00 0.32 C ATOM 1105 CD1 LEU A 72 10.324 -4.338 -8.270 1.00 0.34 C ATOM 1106 CD2 LEU A 72 12.102 -2.804 -7.413 1.00 0.34 C ATOM 0 H LEU A 72 10.573 -4.880 -4.073 1.00 0.30 H new ATOM 0 HA LEU A 72 11.465 -2.170 -4.811 1.00 0.29 H new ATOM 0 HB2 LEU A 72 9.252 -3.969 -5.875 1.00 0.29 H new ATOM 0 HB3 LEU A 72 9.604 -2.359 -6.471 1.00 0.29 H new ATOM 0 HG LEU A 72 11.555 -4.680 -6.559 1.00 0.32 H new ATOM 0 HD11 LEU A 72 11.046 -4.754 -8.972 1.00 0.34 H new ATOM 0 HD12 LEU A 72 9.609 -5.110 -7.985 1.00 0.34 H new ATOM 0 HD13 LEU A 72 9.795 -3.510 -8.741 1.00 0.34 H new ATOM 0 HD21 LEU A 72 12.801 -3.242 -8.125 1.00 0.34 H new ATOM 0 HD22 LEU A 72 11.615 -1.940 -7.866 1.00 0.34 H new ATOM 0 HD23 LEU A 72 12.643 -2.489 -6.521 1.00 0.34 H new ATOM 1118 N MET A 73 9.731 -0.896 -3.596 1.00 0.26 N ATOM 1119 CA MET A 73 8.776 -0.132 -2.802 1.00 0.26 C ATOM 1120 C MET A 73 7.596 0.311 -3.660 1.00 0.21 C ATOM 1121 O MET A 73 7.650 0.238 -4.888 1.00 0.20 O ATOM 1122 CB MET A 73 9.459 1.085 -2.175 1.00 0.30 C ATOM 1123 CG MET A 73 10.614 0.722 -1.255 1.00 0.36 C ATOM 1124 SD MET A 73 11.342 2.159 -0.444 1.00 1.17 S ATOM 1125 CE MET A 73 11.912 3.100 -1.858 1.00 0.80 C ATOM 0 H MET A 73 10.512 -0.349 -3.957 1.00 0.26 H new ATOM 0 HA MET A 73 8.402 -0.774 -2.005 1.00 0.26 H new ATOM 0 HB2 MET A 73 9.827 1.735 -2.969 1.00 0.30 H new ATOM 0 HB3 MET A 73 8.721 1.656 -1.612 1.00 0.30 H new ATOM 0 HG2 MET A 73 10.262 0.022 -0.497 1.00 0.36 H new ATOM 0 HG3 MET A 73 11.383 0.207 -1.831 1.00 0.36 H new ATOM 0 HE1 MET A 73 12.649 3.835 -1.533 1.00 0.80 H new ATOM 0 HE2 MET A 73 12.367 2.426 -2.584 1.00 0.80 H new ATOM 0 HE3 MET A 73 11.067 3.612 -2.318 1.00 0.80 H new ATOM 1135 N VAL A 74 6.534 0.772 -3.008 1.00 0.20 N ATOM 1136 CA VAL A 74 5.341 1.217 -3.718 1.00 0.16 C ATOM 1137 C VAL A 74 4.619 2.320 -2.955 1.00 0.17 C ATOM 1138 O VAL A 74 4.632 2.354 -1.724 1.00 0.24 O ATOM 1139 CB VAL A 74 4.356 0.050 -3.949 1.00 0.18 C ATOM 1140 CG1 VAL A 74 3.826 -0.479 -2.627 1.00 0.26 C ATOM 1141 CG2 VAL A 74 3.210 0.483 -4.847 1.00 0.14 C ATOM 0 H VAL A 74 6.475 0.847 -1.992 1.00 0.20 H new ATOM 0 HA VAL A 74 5.678 1.603 -4.680 1.00 0.16 H new ATOM 0 HB VAL A 74 4.897 -0.755 -4.447 1.00 0.18 H new ATOM 0 HG11 VAL A 74 3.134 -1.300 -2.815 1.00 0.26 H new ATOM 0 HG12 VAL A 74 4.657 -0.836 -2.019 1.00 0.26 H new ATOM 0 HG13 VAL A 74 3.306 0.320 -2.098 1.00 0.26 H new ATOM 0 HG21 VAL A 74 2.528 -0.354 -4.996 1.00 0.14 H new ATOM 0 HG22 VAL A 74 2.673 1.309 -4.380 1.00 0.14 H new ATOM 0 HG23 VAL A 74 3.605 0.806 -5.810 1.00 0.14 H new ATOM 1151 N THR A 75 3.995 3.225 -3.700 1.00 0.12 N ATOM 1152 CA THR A 75 3.241 4.319 -3.110 1.00 0.12 C ATOM 1153 C THR A 75 1.799 4.267 -3.591 1.00 0.11 C ATOM 1154 O THR A 75 1.543 4.116 -4.790 1.00 0.11 O ATOM 1155 CB THR A 75 3.849 5.690 -3.464 1.00 0.16 C ATOM 1156 OG1 THR A 75 3.818 5.890 -4.882 1.00 0.18 O ATOM 1157 CG2 THR A 75 5.283 5.792 -2.963 1.00 0.18 C ATOM 0 H THR A 75 3.998 3.220 -4.720 1.00 0.12 H new ATOM 0 HA THR A 75 3.281 4.202 -2.027 1.00 0.12 H new ATOM 0 HB THR A 75 3.254 6.463 -2.976 1.00 0.16 H new ATOM 0 HG1 THR A 75 3.015 5.469 -5.254 1.00 0.18 H new ATOM 0 HG21 THR A 75 5.691 6.768 -3.225 1.00 0.18 H new ATOM 0 HG22 THR A 75 5.300 5.670 -1.880 1.00 0.18 H new ATOM 0 HG23 THR A 75 5.886 5.011 -3.425 1.00 0.18 H new ATOM 1165 N LEU A 76 0.864 4.392 -2.653 1.00 0.12 N ATOM 1166 CA LEU A 76 -0.559 4.338 -2.973 1.00 0.14 C ATOM 1167 C LEU A 76 -1.219 5.697 -2.755 1.00 0.14 C ATOM 1168 O LEU A 76 -1.128 6.274 -1.672 1.00 0.18 O ATOM 1169 CB LEU A 76 -1.246 3.273 -2.107 1.00 0.18 C ATOM 1170 CG LEU A 76 -0.390 2.042 -1.775 1.00 0.16 C ATOM 1171 CD1 LEU A 76 -1.178 1.036 -0.955 1.00 0.21 C ATOM 1172 CD2 LEU A 76 0.121 1.383 -3.039 1.00 0.16 C ATOM 0 H LEU A 76 1.067 4.532 -1.663 1.00 0.12 H new ATOM 0 HA LEU A 76 -0.667 4.073 -4.025 1.00 0.14 H new ATOM 0 HB2 LEU A 76 -1.562 3.737 -1.173 1.00 0.18 H new ATOM 0 HB3 LEU A 76 -2.149 2.940 -2.619 1.00 0.18 H new ATOM 0 HG LEU A 76 0.462 2.383 -1.186 1.00 0.16 H new ATOM 0 HD11 LEU A 76 -0.548 0.174 -0.734 1.00 0.21 H new ATOM 0 HD12 LEU A 76 -1.500 1.499 -0.022 1.00 0.21 H new ATOM 0 HD13 LEU A 76 -2.052 0.711 -1.520 1.00 0.21 H new ATOM 0 HD21 LEU A 76 0.725 0.514 -2.778 1.00 0.16 H new ATOM 0 HD22 LEU A 76 -0.723 1.068 -3.652 1.00 0.16 H new ATOM 0 HD23 LEU A 76 0.730 2.093 -3.599 1.00 0.16 H new ATOM 1184 N SER A 77 -1.884 6.206 -3.791 1.00 0.20 N ATOM 1185 CA SER A 77 -2.559 7.498 -3.708 1.00 0.23 C ATOM 1186 C SER A 77 -3.930 7.448 -4.383 1.00 0.23 C ATOM 1187 O SER A 77 -4.037 7.647 -5.592 1.00 0.19 O ATOM 1188 CB SER A 77 -1.704 8.584 -4.360 1.00 0.26 C ATOM 1189 OG SER A 77 -2.342 9.849 -4.288 1.00 0.29 O ATOM 0 H SER A 77 -1.969 5.743 -4.696 1.00 0.20 H new ATOM 0 HA SER A 77 -2.702 7.734 -2.653 1.00 0.23 H new ATOM 0 HB2 SER A 77 -0.734 8.634 -3.865 1.00 0.26 H new ATOM 0 HB3 SER A 77 -1.517 8.327 -5.402 1.00 0.26 H new ATOM 0 HG SER A 77 -2.476 10.095 -3.349 1.00 0.29 H new ATOM 1195 N PRO A 78 -5.004 7.185 -3.609 1.00 0.30 N ATOM 1196 CA PRO A 78 -6.365 7.116 -4.151 1.00 0.33 C ATOM 1197 C PRO A 78 -6.902 8.489 -4.537 1.00 0.34 C ATOM 1198 O PRO A 78 -7.967 8.602 -5.146 1.00 0.41 O ATOM 1199 CB PRO A 78 -7.176 6.529 -2.994 1.00 0.39 C ATOM 1200 CG PRO A 78 -6.431 6.936 -1.772 1.00 0.41 C ATOM 1201 CD PRO A 78 -4.977 6.933 -2.156 1.00 0.37 C ATOM 0 HA PRO A 78 -6.413 6.525 -5.065 1.00 0.33 H new ATOM 0 HB2 PRO A 78 -8.194 6.918 -2.986 1.00 0.39 H new ATOM 0 HB3 PRO A 78 -7.250 5.444 -3.071 1.00 0.39 H new ATOM 0 HG2 PRO A 78 -6.744 7.924 -1.435 1.00 0.41 H new ATOM 0 HG3 PRO A 78 -6.620 6.244 -0.951 1.00 0.41 H new ATOM 0 HD2 PRO A 78 -4.420 7.705 -1.625 1.00 0.37 H new ATOM 0 HD3 PRO A 78 -4.502 5.980 -1.923 1.00 0.37 H new ATOM 1209 N THR A 79 -6.159 9.531 -4.176 1.00 0.34 N ATOM 1210 CA THR A 79 -6.557 10.900 -4.483 1.00 0.37 C ATOM 1211 C THR A 79 -5.477 11.612 -5.292 1.00 0.36 C ATOM 1212 O THR A 79 -4.662 10.969 -5.953 1.00 0.32 O ATOM 1213 CB THR A 79 -6.833 11.701 -3.199 1.00 0.44 C ATOM 1214 OG1 THR A 79 -5.636 11.801 -2.422 1.00 0.52 O ATOM 1215 CG2 THR A 79 -7.927 11.044 -2.373 1.00 0.51 C ATOM 0 H THR A 79 -5.277 9.453 -3.670 1.00 0.34 H new ATOM 0 HA THR A 79 -7.473 10.844 -5.071 1.00 0.37 H new ATOM 0 HB THR A 79 -7.168 12.698 -3.483 1.00 0.44 H new ATOM 0 HG1 THR A 79 -5.284 12.714 -2.480 1.00 0.52 H new ATOM 0 HG21 THR A 79 -8.103 11.630 -1.471 1.00 0.51 H new ATOM 0 HG22 THR A 79 -8.845 10.995 -2.959 1.00 0.51 H new ATOM 0 HG23 THR A 79 -7.618 10.036 -2.097 1.00 0.51 H new ATOM 1223 N LYS A 80 -5.476 12.942 -5.236 1.00 0.41 N ATOM 1224 CA LYS A 80 -4.497 13.733 -5.972 1.00 0.43 C ATOM 1225 C LYS A 80 -3.150 13.775 -5.248 1.00 0.43 C ATOM 1226 O LYS A 80 -2.225 13.043 -5.600 1.00 0.47 O ATOM 1227 CB LYS A 80 -5.018 15.156 -6.191 1.00 0.46 C ATOM 1228 CG LYS A 80 -6.478 15.217 -6.618 1.00 0.44 C ATOM 1229 CD LYS A 80 -6.725 14.431 -7.895 1.00 0.43 C ATOM 1230 CE LYS A 80 -8.179 14.519 -8.327 1.00 1.19 C ATOM 1231 NZ LYS A 80 -9.104 14.018 -7.275 1.00 2.08 N ATOM 0 H LYS A 80 -6.140 13.491 -4.690 1.00 0.41 H new ATOM 0 HA LYS A 80 -4.345 13.253 -6.939 1.00 0.43 H new ATOM 0 HB2 LYS A 80 -4.895 15.724 -5.269 1.00 0.46 H new ATOM 0 HB3 LYS A 80 -4.406 15.644 -6.950 1.00 0.46 H new ATOM 0 HG2 LYS A 80 -7.107 14.822 -5.820 1.00 0.44 H new ATOM 0 HG3 LYS A 80 -6.770 16.256 -6.769 1.00 0.44 H new ATOM 0 HD2 LYS A 80 -6.084 14.813 -8.689 1.00 0.43 H new ATOM 0 HD3 LYS A 80 -6.452 13.387 -7.740 1.00 0.43 H new ATOM 0 HE2 LYS A 80 -8.425 15.554 -8.563 1.00 1.19 H new ATOM 0 HE3 LYS A 80 -8.322 13.941 -9.240 1.00 1.19 H new ATOM 0 HZ1 LYS A 80 -10.053 13.888 -7.680 1.00 2.08 H new ATOM 0 HZ2 LYS A 80 -8.755 13.109 -6.911 1.00 2.08 H new ATOM 0 HZ3 LYS A 80 -9.151 14.707 -6.498 1.00 2.08 H new ATOM 1245 N ASP A 81 -3.047 14.635 -4.236 1.00 0.41 N ATOM 1246 CA ASP A 81 -1.806 14.785 -3.481 1.00 0.43 C ATOM 1247 C ASP A 81 -1.750 13.858 -2.268 1.00 0.43 C ATOM 1248 O ASP A 81 -0.721 13.242 -2.003 1.00 0.61 O ATOM 1249 CB ASP A 81 -1.642 16.236 -3.026 1.00 0.42 C ATOM 1250 CG ASP A 81 -1.553 17.199 -4.192 1.00 0.44 C ATOM 1251 OD1 ASP A 81 -2.613 17.640 -4.682 1.00 0.44 O ATOM 1252 OD2 ASP A 81 -0.420 17.515 -4.616 1.00 0.48 O ATOM 0 H ASP A 81 -3.807 15.237 -3.921 1.00 0.41 H new ATOM 0 HA ASP A 81 -0.988 14.508 -4.146 1.00 0.43 H new ATOM 0 HB2 ASP A 81 -2.485 16.513 -2.393 1.00 0.42 H new ATOM 0 HB3 ASP A 81 -0.743 16.324 -2.416 1.00 0.42 H new ATOM 1257 N PHE A 82 -2.856 13.767 -1.533 1.00 0.31 N ATOM 1258 CA PHE A 82 -2.916 12.934 -0.331 1.00 0.30 C ATOM 1259 C PHE A 82 -2.371 11.528 -0.581 1.00 0.27 C ATOM 1260 O PHE A 82 -2.852 10.809 -1.457 1.00 0.32 O ATOM 1261 CB PHE A 82 -4.354 12.847 0.185 1.00 0.31 C ATOM 1262 CG PHE A 82 -4.993 14.186 0.417 1.00 0.34 C ATOM 1263 CD1 PHE A 82 -4.800 14.864 1.610 1.00 0.34 C ATOM 1264 CD2 PHE A 82 -5.787 14.764 -0.559 1.00 0.43 C ATOM 1265 CE1 PHE A 82 -5.389 16.096 1.824 1.00 0.39 C ATOM 1266 CE2 PHE A 82 -6.379 15.997 -0.350 1.00 0.47 C ATOM 1267 CZ PHE A 82 -6.181 16.661 0.844 1.00 0.44 C ATOM 0 H PHE A 82 -3.723 14.259 -1.747 1.00 0.31 H new ATOM 0 HA PHE A 82 -2.286 13.408 0.422 1.00 0.30 H new ATOM 0 HB2 PHE A 82 -4.955 12.287 -0.531 1.00 0.31 H new ATOM 0 HB3 PHE A 82 -4.363 12.283 1.118 1.00 0.31 H new ATOM 0 HD1 PHE A 82 -4.183 14.425 2.380 1.00 0.34 H new ATOM 0 HD2 PHE A 82 -5.946 14.247 -1.494 1.00 0.43 H new ATOM 0 HE1 PHE A 82 -5.230 16.616 2.757 1.00 0.39 H new ATOM 0 HE2 PHE A 82 -6.995 16.439 -1.119 1.00 0.47 H new ATOM 0 HZ PHE A 82 -6.645 17.622 1.012 1.00 0.44 H new ATOM 1277 N TRP A 83 -1.358 11.152 0.198 1.00 0.22 N ATOM 1278 CA TRP A 83 -0.739 9.832 0.083 1.00 0.20 C ATOM 1279 C TRP A 83 -1.068 8.976 1.301 1.00 0.19 C ATOM 1280 O TRP A 83 -1.584 9.474 2.304 1.00 0.22 O ATOM 1281 CB TRP A 83 0.780 9.963 -0.051 1.00 0.21 C ATOM 1282 CG TRP A 83 1.232 10.405 -1.410 1.00 0.22 C ATOM 1283 CD1 TRP A 83 1.216 9.667 -2.558 1.00 0.25 C ATOM 1284 CD2 TRP A 83 1.775 11.683 -1.761 1.00 0.27 C ATOM 1285 NE1 TRP A 83 1.708 10.410 -3.602 1.00 0.31 N ATOM 1286 CE2 TRP A 83 2.059 11.650 -3.140 1.00 0.32 C ATOM 1287 CE3 TRP A 83 2.045 12.851 -1.044 1.00 0.31 C ATOM 1288 CZ2 TRP A 83 2.601 12.741 -3.814 1.00 0.39 C ATOM 1289 CZ3 TRP A 83 2.582 13.934 -1.715 1.00 0.38 C ATOM 1290 CH2 TRP A 83 2.854 13.872 -3.087 1.00 0.41 C ATOM 0 H TRP A 83 -0.947 11.745 0.919 1.00 0.22 H new ATOM 0 HA TRP A 83 -1.138 9.350 -0.809 1.00 0.20 H new ATOM 0 HB2 TRP A 83 1.141 10.675 0.691 1.00 0.21 H new ATOM 0 HB3 TRP A 83 1.240 9.002 0.180 1.00 0.21 H new ATOM 0 HD1 TRP A 83 0.867 8.648 -2.634 1.00 0.25 H new ATOM 0 HE1 TRP A 83 1.798 10.090 -4.566 1.00 0.31 H new ATOM 0 HE3 TRP A 83 1.838 12.907 0.015 1.00 0.31 H new ATOM 0 HZ2 TRP A 83 2.814 12.696 -4.872 1.00 0.39 H new ATOM 0 HZ3 TRP A 83 2.795 14.843 -1.172 1.00 0.38 H new ATOM 0 HH2 TRP A 83 3.273 14.736 -3.582 1.00 0.41 H new ATOM 1301 N LEU A 84 -0.767 7.681 1.209 1.00 0.16 N ATOM 1302 CA LEU A 84 -1.022 6.755 2.307 1.00 0.17 C ATOM 1303 C LEU A 84 0.119 6.785 3.318 1.00 0.17 C ATOM 1304 O LEU A 84 1.291 6.702 2.949 1.00 0.24 O ATOM 1305 CB LEU A 84 -1.208 5.330 1.778 1.00 0.19 C ATOM 1306 CG LEU A 84 -2.662 4.886 1.604 1.00 0.14 C ATOM 1307 CD1 LEU A 84 -3.351 5.717 0.535 1.00 0.22 C ATOM 1308 CD2 LEU A 84 -2.728 3.406 1.257 1.00 0.16 C ATOM 0 H LEU A 84 -0.347 7.251 0.385 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.939 7.071 2.805 1.00 0.17 H new ATOM 0 HB2 LEU A 84 -0.702 5.247 0.816 1.00 0.19 H new ATOM 0 HB3 LEU A 84 -0.712 4.639 2.460 1.00 0.19 H new ATOM 0 HG LEU A 84 -3.185 5.042 2.548 1.00 0.14 H new ATOM 0 HD11 LEU A 84 -4.384 5.386 0.426 1.00 0.22 H new ATOM 0 HD12 LEU A 84 -3.335 6.768 0.825 1.00 0.22 H new ATOM 0 HD13 LEU A 84 -2.829 5.594 -0.414 1.00 0.22 H new ATOM 0 HD21 LEU A 84 -3.769 3.107 1.137 1.00 0.16 H new ATOM 0 HD22 LEU A 84 -2.189 3.226 0.327 1.00 0.16 H new ATOM 0 HD23 LEU A 84 -2.273 2.824 2.058 1.00 0.16 H new ATOM 1320 N HIS A 85 -0.233 6.903 4.594 1.00 0.23 N ATOM 1321 CA HIS A 85 0.758 6.942 5.661 1.00 0.24 C ATOM 1322 C HIS A 85 0.347 6.039 6.817 1.00 0.27 C ATOM 1323 O HIS A 85 -0.725 6.205 7.400 1.00 0.36 O ATOM 1324 CB HIS A 85 0.949 8.377 6.161 1.00 0.24 C ATOM 1325 CG HIS A 85 1.570 9.284 5.145 1.00 0.23 C ATOM 1326 ND1 HIS A 85 0.836 9.982 4.210 1.00 0.29 N ATOM 1327 CD2 HIS A 85 2.865 9.604 4.921 1.00 0.33 C ATOM 1328 CE1 HIS A 85 1.652 10.692 3.453 1.00 0.29 C ATOM 1329 NE2 HIS A 85 2.890 10.481 3.864 1.00 0.30 N ATOM 0 H HIS A 85 -1.199 6.973 4.914 1.00 0.23 H new ATOM 0 HA HIS A 85 1.703 6.579 5.257 1.00 0.24 H new ATOM 0 HB2 HIS A 85 -0.019 8.783 6.456 1.00 0.24 H new ATOM 0 HB3 HIS A 85 1.574 8.362 7.054 1.00 0.24 H new ATOM 0 HD1 HIS A 85 -0.179 9.954 4.117 1.00 0.29 H new ATOM 0 HD2 HIS A 85 3.720 9.238 5.471 1.00 0.33 H new ATOM 0 HE1 HIS A 85 1.358 11.335 2.637 1.00 0.29 H new ATOM 1338 N ALA A 86 1.209 5.081 7.143 1.00 0.27 N ATOM 1339 CA ALA A 86 0.942 4.149 8.229 1.00 0.31 C ATOM 1340 C ALA A 86 1.283 4.772 9.577 1.00 0.29 C ATOM 1341 O ALA A 86 2.302 5.447 9.718 1.00 0.47 O ATOM 1342 CB ALA A 86 1.726 2.863 8.025 1.00 0.47 C ATOM 0 H ALA A 86 2.099 4.931 6.669 1.00 0.27 H new ATOM 0 HA ALA A 86 -0.123 3.915 8.224 1.00 0.31 H new ATOM 0 HB1 ALA A 86 1.517 2.175 8.844 1.00 0.47 H new ATOM 0 HB2 ALA A 86 1.432 2.403 7.081 1.00 0.47 H new ATOM 0 HB3 ALA A 86 2.793 3.087 8.003 1.00 0.47 H new ATOM 1348 N ASN A 87 0.422 4.545 10.562 1.00 0.33 N ATOM 1349 CA ASN A 87 0.633 5.085 11.899 1.00 0.43 C ATOM 1350 C ASN A 87 0.796 3.968 12.922 1.00 0.46 C ATOM 1351 O ASN A 87 -0.104 3.149 13.111 1.00 0.53 O ATOM 1352 CB ASN A 87 -0.537 5.990 12.295 1.00 0.56 C ATOM 1353 CG ASN A 87 -0.673 7.197 11.386 1.00 1.09 C ATOM 1354 OD1 ASN A 87 -1.777 7.683 11.142 1.00 1.83 O ATOM 1355 ND2 ASN A 87 0.454 7.692 10.882 1.00 1.83 N ATOM 0 H ASN A 87 -0.428 3.991 10.460 1.00 0.33 H new ATOM 0 HA ASN A 87 1.551 5.672 11.884 1.00 0.43 H new ATOM 0 HB2 ASN A 87 -1.462 5.414 12.269 1.00 0.56 H new ATOM 0 HB3 ASN A 87 -0.400 6.327 13.322 1.00 0.56 H new ATOM 0 HD21 ASN A 87 0.424 8.505 10.267 1.00 1.83 H new ATOM 0 HD22 ASN A 87 1.348 7.258 11.110 1.00 1.83 H new ATOM 1362 N ASN A 88 1.952 3.941 13.578 1.00 0.49 N ATOM 1363 CA ASN A 88 2.237 2.924 14.584 1.00 0.56 C ATOM 1364 C ASN A 88 1.527 3.244 15.896 1.00 0.60 C ATOM 1365 O ASN A 88 1.718 2.557 16.900 1.00 0.73 O ATOM 1366 CB ASN A 88 3.744 2.821 14.820 1.00 0.65 C ATOM 1367 CG ASN A 88 4.338 4.112 15.350 1.00 1.56 C ATOM 1368 OD1 ASN A 88 3.852 5.203 15.049 1.00 2.56 O ATOM 1369 ND2 ASN A 88 5.395 3.995 16.145 1.00 1.79 N ATOM 0 H ASN A 88 2.706 4.612 13.431 1.00 0.49 H new ATOM 0 HA ASN A 88 1.867 1.968 14.214 1.00 0.56 H new ATOM 0 HB2 ASN A 88 3.944 2.016 15.527 1.00 0.65 H new ATOM 0 HB3 ASN A 88 4.238 2.554 13.885 1.00 0.65 H new ATOM 0 HD21 ASN A 88 5.837 4.829 16.532 1.00 1.79 H new ATOM 0 HD22 ASN A 88 5.765 3.071 16.369 1.00 1.79 H new ATOM 1376 N LYS A 89 0.708 4.291 15.880 1.00 0.56 N ATOM 1377 CA LYS A 89 -0.031 4.707 17.067 1.00 0.63 C ATOM 1378 C LYS A 89 -1.236 3.803 17.307 1.00 0.61 C ATOM 1379 O LYS A 89 -1.418 3.275 18.404 1.00 0.77 O ATOM 1380 CB LYS A 89 -0.486 6.159 16.923 1.00 0.72 C ATOM 1381 CG LYS A 89 -1.230 6.693 18.137 1.00 1.41 C ATOM 1382 CD LYS A 89 -0.321 6.790 19.352 1.00 1.89 C ATOM 1383 CE LYS A 89 -1.079 7.278 20.576 1.00 2.63 C ATOM 1384 NZ LYS A 89 -1.685 8.620 20.356 1.00 3.20 N ATOM 0 H LYS A 89 0.539 4.868 15.056 1.00 0.56 H new ATOM 0 HA LYS A 89 0.634 4.624 17.926 1.00 0.63 H new ATOM 0 HB2 LYS A 89 0.386 6.786 16.738 1.00 0.72 H new ATOM 0 HB3 LYS A 89 -1.130 6.243 16.048 1.00 0.72 H new ATOM 0 HG2 LYS A 89 -1.640 7.677 17.909 1.00 1.41 H new ATOM 0 HG3 LYS A 89 -2.073 6.041 18.364 1.00 1.41 H new ATOM 0 HD2 LYS A 89 0.117 5.814 19.559 1.00 1.89 H new ATOM 0 HD3 LYS A 89 0.503 7.470 19.138 1.00 1.89 H new ATOM 0 HE2 LYS A 89 -1.862 6.563 20.827 1.00 2.63 H new ATOM 0 HE3 LYS A 89 -0.402 7.321 21.429 1.00 2.63 H new ATOM 0 HZ1 LYS A 89 -2.015 9.005 21.264 1.00 3.20 H new ATOM 0 HZ2 LYS A 89 -0.974 9.259 19.947 1.00 3.20 H new ATOM 0 HZ3 LYS A 89 -2.490 8.535 19.703 1.00 3.20 H new ATOM 1398 N GLU A 90 -2.057 3.629 16.275 1.00 0.52 N ATOM 1399 CA GLU A 90 -3.248 2.792 16.379 1.00 0.55 C ATOM 1400 C GLU A 90 -3.248 1.696 15.317 1.00 0.41 C ATOM 1401 O GLU A 90 -4.283 1.088 15.038 1.00 0.42 O ATOM 1402 CB GLU A 90 -4.511 3.648 16.247 1.00 0.72 C ATOM 1403 CG GLU A 90 -4.685 4.653 17.373 1.00 0.91 C ATOM 1404 CD GLU A 90 -5.939 5.492 17.221 1.00 1.03 C ATOM 1405 OE1 GLU A 90 -7.013 5.042 17.671 1.00 1.04 O ATOM 1406 OE2 GLU A 90 -5.847 6.599 16.649 1.00 1.61 O ATOM 0 H GLU A 90 -1.920 4.056 15.359 1.00 0.52 H new ATOM 0 HA GLU A 90 -3.238 2.316 17.359 1.00 0.55 H new ATOM 0 HB2 GLU A 90 -4.481 4.181 15.297 1.00 0.72 H new ATOM 0 HB3 GLU A 90 -5.382 2.993 16.218 1.00 0.72 H new ATOM 0 HG2 GLU A 90 -4.721 4.123 18.325 1.00 0.91 H new ATOM 0 HG3 GLU A 90 -3.815 5.309 17.406 1.00 0.91 H new ATOM 1413 N HIS A 91 -2.078 1.450 14.729 1.00 0.33 N ATOM 1414 CA HIS A 91 -1.933 0.427 13.696 1.00 0.29 C ATOM 1415 C HIS A 91 -2.925 0.652 12.560 1.00 0.29 C ATOM 1416 O HIS A 91 -3.594 -0.281 12.113 1.00 0.34 O ATOM 1417 CB HIS A 91 -2.128 -0.968 14.294 1.00 0.38 C ATOM 1418 CG HIS A 91 -1.118 -1.321 15.341 1.00 0.49 C ATOM 1419 ND1 HIS A 91 -1.380 -1.255 16.694 1.00 1.11 N ATOM 1420 CD2 HIS A 91 0.162 -1.747 15.227 1.00 1.24 C ATOM 1421 CE1 HIS A 91 -0.304 -1.624 17.365 1.00 0.91 C ATOM 1422 NE2 HIS A 91 0.645 -1.927 16.500 1.00 0.95 N ATOM 0 H HIS A 91 -1.215 1.947 14.951 1.00 0.33 H new ATOM 0 HA HIS A 91 -0.924 0.500 13.290 1.00 0.29 H new ATOM 0 HB2 HIS A 91 -3.126 -1.031 14.728 1.00 0.38 H new ATOM 0 HB3 HIS A 91 -2.082 -1.706 13.494 1.00 0.38 H new ATOM 0 HD2 HIS A 91 0.702 -1.914 14.307 1.00 1.24 H new ATOM 0 HE1 HIS A 91 -0.216 -1.670 18.440 1.00 0.91 H new ATOM 0 HE2 HIS A 91 1.585 -2.244 16.738 1.00 0.95 H new ATOM 1431 N SER A 92 -3.014 1.893 12.095 1.00 0.34 N ATOM 1432 CA SER A 92 -3.930 2.240 11.014 1.00 0.44 C ATOM 1433 C SER A 92 -3.266 3.186 10.018 1.00 0.35 C ATOM 1434 O SER A 92 -2.383 3.964 10.378 1.00 0.30 O ATOM 1435 CB SER A 92 -5.196 2.886 11.580 1.00 0.61 C ATOM 1436 OG SER A 92 -5.860 2.008 12.475 1.00 1.33 O ATOM 0 H SER A 92 -2.464 2.675 12.449 1.00 0.34 H new ATOM 0 HA SER A 92 -4.199 1.322 10.491 1.00 0.44 H new ATOM 0 HB2 SER A 92 -4.937 3.810 12.097 1.00 0.61 H new ATOM 0 HB3 SER A 92 -5.867 3.155 10.764 1.00 0.61 H new ATOM 0 HG SER A 92 -5.285 1.834 13.250 1.00 1.33 H new ATOM 1442 N VAL A 93 -3.699 3.109 8.762 1.00 0.38 N ATOM 1443 CA VAL A 93 -3.150 3.957 7.710 1.00 0.33 C ATOM 1444 C VAL A 93 -4.140 5.052 7.325 1.00 0.29 C ATOM 1445 O VAL A 93 -5.305 4.779 7.034 1.00 0.31 O ATOM 1446 CB VAL A 93 -2.782 3.133 6.461 1.00 0.40 C ATOM 1447 CG1 VAL A 93 -3.986 2.358 5.951 1.00 0.84 C ATOM 1448 CG2 VAL A 93 -2.217 4.033 5.371 1.00 1.20 C ATOM 0 H VAL A 93 -4.428 2.468 8.449 1.00 0.38 H new ATOM 0 HA VAL A 93 -2.243 4.416 8.104 1.00 0.33 H new ATOM 0 HB VAL A 93 -2.012 2.414 6.742 1.00 0.40 H new ATOM 0 HG11 VAL A 93 -3.702 1.784 5.069 1.00 0.84 H new ATOM 0 HG12 VAL A 93 -4.338 1.679 6.728 1.00 0.84 H new ATOM 0 HG13 VAL A 93 -4.783 3.054 5.690 1.00 0.84 H new ATOM 0 HG21 VAL A 93 -1.964 3.432 4.498 1.00 1.20 H new ATOM 0 HG22 VAL A 93 -2.961 4.780 5.094 1.00 1.20 H new ATOM 0 HG23 VAL A 93 -1.321 4.533 5.740 1.00 1.20 H new ATOM 1458 N GLU A 94 -3.669 6.296 7.323 1.00 0.30 N ATOM 1459 CA GLU A 94 -4.513 7.437 6.978 1.00 0.31 C ATOM 1460 C GLU A 94 -3.917 8.227 5.818 1.00 0.27 C ATOM 1461 O GLU A 94 -2.781 7.985 5.410 1.00 0.29 O ATOM 1462 CB GLU A 94 -4.691 8.347 8.196 1.00 0.39 C ATOM 1463 CG GLU A 94 -5.408 7.678 9.359 1.00 0.67 C ATOM 1464 CD GLU A 94 -6.808 7.221 8.999 1.00 1.47 C ATOM 1465 OE1 GLU A 94 -7.722 8.072 8.969 1.00 1.54 O ATOM 1466 OE2 GLU A 94 -6.990 6.011 8.747 1.00 2.41 O ATOM 0 H GLU A 94 -2.707 6.540 7.557 1.00 0.30 H new ATOM 0 HA GLU A 94 -5.487 7.058 6.668 1.00 0.31 H new ATOM 0 HB2 GLU A 94 -3.711 8.686 8.531 1.00 0.39 H new ATOM 0 HB3 GLU A 94 -5.250 9.234 7.897 1.00 0.39 H new ATOM 0 HG2 GLU A 94 -4.825 6.820 9.694 1.00 0.67 H new ATOM 0 HG3 GLU A 94 -5.462 8.374 10.196 1.00 0.67 H new ATOM 1473 N LEU A 95 -4.691 9.171 5.289 1.00 0.31 N ATOM 1474 CA LEU A 95 -4.237 9.992 4.172 1.00 0.32 C ATOM 1475 C LEU A 95 -3.636 11.305 4.667 1.00 0.29 C ATOM 1476 O LEU A 95 -4.244 12.012 5.471 1.00 0.37 O ATOM 1477 CB LEU A 95 -5.396 10.286 3.213 1.00 0.44 C ATOM 1478 CG LEU A 95 -6.065 9.057 2.596 1.00 0.50 C ATOM 1479 CD1 LEU A 95 -7.147 8.516 3.517 1.00 1.11 C ATOM 1480 CD2 LEU A 95 -6.647 9.399 1.233 1.00 0.62 C ATOM 0 H LEU A 95 -5.633 9.386 5.615 1.00 0.31 H new ATOM 0 HA LEU A 95 -3.467 9.433 3.641 1.00 0.32 H new ATOM 0 HB2 LEU A 95 -6.152 10.860 3.749 1.00 0.44 H new ATOM 0 HB3 LEU A 95 -5.027 10.920 2.407 1.00 0.44 H new ATOM 0 HG LEU A 95 -5.309 8.283 2.466 1.00 0.50 H new ATOM 0 HD11 LEU A 95 -7.611 7.642 3.060 1.00 1.11 H new ATOM 0 HD12 LEU A 95 -6.704 8.234 4.472 1.00 1.11 H new ATOM 0 HD13 LEU A 95 -7.903 9.284 3.680 1.00 1.11 H new ATOM 0 HD21 LEU A 95 -7.120 8.514 0.807 1.00 0.62 H new ATOM 0 HD22 LEU A 95 -7.389 10.190 1.342 1.00 0.62 H new ATOM 0 HD23 LEU A 95 -5.850 9.739 0.572 1.00 0.62 H new ATOM 1492 N HIS A 96 -2.439 11.623 4.182 1.00 0.25 N ATOM 1493 CA HIS A 96 -1.757 12.851 4.574 1.00 0.30 C ATOM 1494 C HIS A 96 -1.033 13.476 3.384 1.00 0.25 C ATOM 1495 O HIS A 96 -0.483 12.770 2.540 1.00 0.22 O ATOM 1496 CB HIS A 96 -0.760 12.574 5.702 1.00 0.39 C ATOM 1497 CG HIS A 96 -1.410 12.264 7.016 1.00 0.73 C ATOM 1498 ND1 HIS A 96 -1.729 13.234 7.945 1.00 1.24 N ATOM 1499 CD2 HIS A 96 -1.800 11.086 7.558 1.00 1.11 C ATOM 1500 CE1 HIS A 96 -2.287 12.666 9.000 1.00 1.64 C ATOM 1501 NE2 HIS A 96 -2.342 11.363 8.789 1.00 1.57 N ATOM 0 H HIS A 96 -1.922 11.047 3.517 1.00 0.25 H new ATOM 0 HA HIS A 96 -2.510 13.554 4.930 1.00 0.30 H new ATOM 0 HB2 HIS A 96 -0.123 11.737 5.415 1.00 0.39 H new ATOM 0 HB3 HIS A 96 -0.111 13.441 5.823 1.00 0.39 H new ATOM 0 HD2 HIS A 96 -1.703 10.110 7.106 1.00 1.11 H new ATOM 0 HE1 HIS A 96 -2.638 13.179 9.883 1.00 1.64 H new ATOM 0 HE2 HIS A 96 -2.725 10.674 9.436 1.00 1.57 H new ATOM 1510 N LYS A 97 -1.042 14.804 3.325 1.00 0.32 N ATOM 1511 CA LYS A 97 -0.387 15.525 2.240 1.00 0.32 C ATOM 1512 C LYS A 97 0.862 16.242 2.742 1.00 0.34 C ATOM 1513 O LYS A 97 0.774 17.297 3.371 1.00 0.50 O ATOM 1514 CB LYS A 97 -1.353 16.530 1.612 1.00 0.39 C ATOM 1515 CG LYS A 97 -0.726 17.377 0.516 1.00 0.42 C ATOM 1516 CD LYS A 97 -1.739 18.325 -0.106 1.00 0.53 C ATOM 1517 CE LYS A 97 -1.090 19.241 -1.130 1.00 1.29 C ATOM 1518 NZ LYS A 97 -2.088 20.117 -1.803 1.00 2.10 N ATOM 0 H LYS A 97 -1.496 15.402 4.016 1.00 0.32 H new ATOM 0 HA LYS A 97 -0.087 14.801 1.482 1.00 0.32 H new ATOM 0 HB2 LYS A 97 -2.206 15.992 1.200 1.00 0.39 H new ATOM 0 HB3 LYS A 97 -1.737 17.187 2.392 1.00 0.39 H new ATOM 0 HG2 LYS A 97 0.104 17.950 0.928 1.00 0.42 H new ATOM 0 HG3 LYS A 97 -0.313 16.727 -0.256 1.00 0.42 H new ATOM 0 HD2 LYS A 97 -2.532 17.749 -0.583 1.00 0.53 H new ATOM 0 HD3 LYS A 97 -2.206 18.924 0.676 1.00 0.53 H new ATOM 0 HE2 LYS A 97 -0.337 19.858 -0.639 1.00 1.29 H new ATOM 0 HE3 LYS A 97 -0.572 18.640 -1.877 1.00 1.29 H new ATOM 0 HZ1 LYS A 97 -1.605 20.726 -2.494 1.00 2.10 H new ATOM 0 HZ2 LYS A 97 -2.792 19.529 -2.293 1.00 2.10 H new ATOM 0 HZ3 LYS A 97 -2.565 20.709 -1.093 1.00 2.10 H new ATOM 1532 N CYS A 98 2.025 15.663 2.458 1.00 0.37 N ATOM 1533 CA CYS A 98 3.294 16.246 2.880 1.00 0.43 C ATOM 1534 C CYS A 98 4.034 16.863 1.698 1.00 0.40 C ATOM 1535 O CYS A 98 3.544 16.846 0.569 1.00 0.37 O ATOM 1536 CB CYS A 98 4.168 15.183 3.548 1.00 0.49 C ATOM 1537 SG CYS A 98 3.423 14.428 5.012 1.00 1.10 S ATOM 0 H CYS A 98 2.115 14.790 1.937 1.00 0.37 H new ATOM 0 HA CYS A 98 3.080 17.037 3.599 1.00 0.43 H new ATOM 0 HB2 CYS A 98 4.389 14.401 2.822 1.00 0.49 H new ATOM 0 HB3 CYS A 98 5.119 15.635 3.830 1.00 0.49 H new ATOM 0 HG CYS A 98 4.236 13.541 5.504 1.00 1.10 H new ATOM 1543 N GLU A 99 5.218 17.407 1.965 1.00 0.46 N ATOM 1544 CA GLU A 99 6.029 18.032 0.926 1.00 0.47 C ATOM 1545 C GLU A 99 6.513 16.999 -0.089 1.00 0.42 C ATOM 1546 O GLU A 99 6.275 15.800 0.069 1.00 0.38 O ATOM 1547 CB GLU A 99 7.225 18.755 1.546 1.00 0.53 C ATOM 1548 CG GLU A 99 6.836 19.802 2.579 1.00 1.09 C ATOM 1549 CD GLU A 99 5.935 20.878 2.009 1.00 1.85 C ATOM 1550 OE1 GLU A 99 6.464 21.873 1.468 1.00 2.07 O ATOM 1551 OE2 GLU A 99 4.697 20.727 2.103 1.00 2.55 O ATOM 0 H GLU A 99 5.637 17.427 2.895 1.00 0.46 H new ATOM 0 HA GLU A 99 5.405 18.758 0.405 1.00 0.47 H new ATOM 0 HB2 GLU A 99 7.880 18.020 2.015 1.00 0.53 H new ATOM 0 HB3 GLU A 99 7.800 19.235 0.754 1.00 0.53 H new ATOM 0 HG2 GLU A 99 6.330 19.314 3.412 1.00 1.09 H new ATOM 0 HG3 GLU A 99 7.738 20.264 2.980 1.00 1.09 H new ATOM 1558 N LYS A 100 7.186 17.474 -1.133 1.00 0.45 N ATOM 1559 CA LYS A 100 7.710 16.598 -2.180 1.00 0.46 C ATOM 1560 C LYS A 100 8.519 15.434 -1.595 1.00 0.45 C ATOM 1561 O LYS A 100 8.248 14.277 -1.913 1.00 0.45 O ATOM 1562 CB LYS A 100 8.564 17.402 -3.169 1.00 0.52 C ATOM 1563 CG LYS A 100 9.420 16.544 -4.094 1.00 0.56 C ATOM 1564 CD LYS A 100 8.582 15.565 -4.904 1.00 0.60 C ATOM 1565 CE LYS A 100 7.648 16.286 -5.866 1.00 0.96 C ATOM 1566 NZ LYS A 100 8.393 17.165 -6.810 1.00 1.77 N ATOM 0 H LYS A 100 7.383 18.464 -1.278 1.00 0.45 H new ATOM 0 HA LYS A 100 6.859 16.171 -2.711 1.00 0.46 H new ATOM 0 HB2 LYS A 100 7.908 18.027 -3.775 1.00 0.52 H new ATOM 0 HB3 LYS A 100 9.215 18.073 -2.608 1.00 0.52 H new ATOM 0 HG2 LYS A 100 9.979 17.189 -4.772 1.00 0.56 H new ATOM 0 HG3 LYS A 100 10.151 15.992 -3.503 1.00 0.56 H new ATOM 0 HD2 LYS A 100 9.239 14.900 -5.464 1.00 0.60 H new ATOM 0 HD3 LYS A 100 7.997 14.940 -4.228 1.00 0.60 H new ATOM 0 HE2 LYS A 100 7.072 15.553 -6.431 1.00 0.96 H new ATOM 0 HE3 LYS A 100 6.934 16.884 -5.299 1.00 0.96 H new ATOM 0 HZ1 LYS A 100 7.770 17.436 -7.597 1.00 1.77 H new ATOM 0 HZ2 LYS A 100 8.711 18.020 -6.311 1.00 1.77 H new ATOM 0 HZ3 LYS A 100 9.219 16.654 -7.182 1.00 1.77 H new ATOM 1580 N PRO A 101 9.523 15.712 -0.733 1.00 0.46 N ATOM 1581 CA PRO A 101 10.348 14.656 -0.131 1.00 0.48 C ATOM 1582 C PRO A 101 9.525 13.689 0.713 1.00 0.42 C ATOM 1583 O PRO A 101 9.361 13.885 1.917 1.00 0.45 O ATOM 1584 CB PRO A 101 11.344 15.422 0.749 1.00 0.55 C ATOM 1585 CG PRO A 101 10.716 16.755 0.972 1.00 0.64 C ATOM 1586 CD PRO A 101 9.935 17.052 -0.273 1.00 0.48 C ATOM 0 HA PRO A 101 10.827 14.038 -0.891 1.00 0.48 H new ATOM 0 HB2 PRO A 101 11.516 14.904 1.693 1.00 0.55 H new ATOM 0 HB3 PRO A 101 12.312 15.519 0.257 1.00 0.55 H new ATOM 0 HG2 PRO A 101 10.066 16.740 1.847 1.00 0.64 H new ATOM 0 HG3 PRO A 101 11.473 17.519 1.150 1.00 0.64 H new ATOM 0 HD2 PRO A 101 9.076 17.690 -0.068 1.00 0.48 H new ATOM 0 HD3 PRO A 101 10.543 17.565 -1.018 1.00 0.48 H new ATOM 1594 N LEU A 102 9.007 12.646 0.072 1.00 0.40 N ATOM 1595 CA LEU A 102 8.199 11.645 0.760 1.00 0.36 C ATOM 1596 C LEU A 102 9.042 10.865 1.772 1.00 0.37 C ATOM 1597 O LEU A 102 10.152 10.437 1.456 1.00 0.45 O ATOM 1598 CB LEU A 102 7.579 10.681 -0.254 1.00 0.38 C ATOM 1599 CG LEU A 102 6.717 11.340 -1.334 1.00 0.41 C ATOM 1600 CD1 LEU A 102 6.280 10.313 -2.368 1.00 0.50 C ATOM 1601 CD2 LEU A 102 5.505 12.016 -0.710 1.00 0.45 C ATOM 0 H LEU A 102 9.133 12.472 -0.925 1.00 0.40 H new ATOM 0 HA LEU A 102 7.404 12.161 1.298 1.00 0.36 H new ATOM 0 HB2 LEU A 102 8.380 10.125 -0.740 1.00 0.38 H new ATOM 0 HB3 LEU A 102 6.968 9.956 0.284 1.00 0.38 H new ATOM 0 HG LEU A 102 7.316 12.100 -1.835 1.00 0.41 H new ATOM 0 HD11 LEU A 102 5.668 10.799 -3.128 1.00 0.50 H new ATOM 0 HD12 LEU A 102 7.160 9.872 -2.838 1.00 0.50 H new ATOM 0 HD13 LEU A 102 5.699 9.530 -1.880 1.00 0.50 H new ATOM 0 HD21 LEU A 102 4.904 12.479 -1.492 1.00 0.45 H new ATOM 0 HD22 LEU A 102 4.905 11.274 -0.183 1.00 0.45 H new ATOM 0 HD23 LEU A 102 5.836 12.780 -0.007 1.00 0.45 H new ATOM 1613 N PRO A 103 8.527 10.669 3.003 1.00 0.37 N ATOM 1614 CA PRO A 103 9.248 9.938 4.047 1.00 0.40 C ATOM 1615 C PRO A 103 9.153 8.424 3.875 1.00 0.35 C ATOM 1616 O PRO A 103 8.446 7.937 2.992 1.00 0.30 O ATOM 1617 CB PRO A 103 8.534 10.375 5.323 1.00 0.47 C ATOM 1618 CG PRO A 103 7.131 10.639 4.896 1.00 0.46 C ATOM 1619 CD PRO A 103 7.207 11.140 3.477 1.00 0.42 C ATOM 0 HA PRO A 103 10.316 10.153 4.036 1.00 0.40 H new ATOM 0 HB2 PRO A 103 8.577 9.599 6.087 1.00 0.47 H new ATOM 0 HB3 PRO A 103 8.993 11.267 5.749 1.00 0.47 H new ATOM 0 HG2 PRO A 103 6.529 9.732 4.956 1.00 0.46 H new ATOM 0 HG3 PRO A 103 6.660 11.378 5.544 1.00 0.46 H new ATOM 0 HD2 PRO A 103 6.397 10.738 2.868 1.00 0.42 H new ATOM 0 HD3 PRO A 103 7.131 12.226 3.432 1.00 0.42 H new ATOM 1627 N ASP A 104 9.864 7.687 4.722 1.00 0.40 N ATOM 1628 CA ASP A 104 9.858 6.229 4.660 1.00 0.41 C ATOM 1629 C ASP A 104 8.446 5.680 4.844 1.00 0.41 C ATOM 1630 O ASP A 104 8.066 4.691 4.218 1.00 0.54 O ATOM 1631 CB ASP A 104 10.788 5.646 5.727 1.00 0.52 C ATOM 1632 CG ASP A 104 12.226 6.094 5.550 1.00 1.05 C ATOM 1633 OD1 ASP A 104 12.958 5.444 4.778 1.00 1.57 O ATOM 1634 OD2 ASP A 104 12.616 7.097 6.185 1.00 1.45 O ATOM 0 H ASP A 104 10.452 8.075 5.460 1.00 0.40 H new ATOM 0 HA ASP A 104 10.217 5.933 3.674 1.00 0.41 H new ATOM 0 HB2 ASP A 104 10.436 5.946 6.714 1.00 0.52 H new ATOM 0 HB3 ASP A 104 10.742 4.558 5.689 1.00 0.52 H new ATOM 1639 N GLN A 105 7.672 6.334 5.707 1.00 0.36 N ATOM 1640 CA GLN A 105 6.300 5.915 5.975 1.00 0.39 C ATOM 1641 C GLN A 105 5.452 5.972 4.709 1.00 0.34 C ATOM 1642 O GLN A 105 4.392 5.349 4.633 1.00 0.42 O ATOM 1643 CB GLN A 105 5.678 6.799 7.059 1.00 0.48 C ATOM 1644 CG GLN A 105 6.343 6.655 8.419 1.00 0.67 C ATOM 1645 CD GLN A 105 5.818 7.652 9.433 1.00 0.83 C ATOM 1646 OE1 GLN A 105 4.852 7.378 10.145 1.00 1.41 O ATOM 1647 NE2 GLN A 105 6.451 8.817 9.504 1.00 1.65 N ATOM 0 H GLN A 105 7.972 7.156 6.232 1.00 0.36 H new ATOM 0 HA GLN A 105 6.326 4.883 6.325 1.00 0.39 H new ATOM 0 HB2 GLN A 105 5.736 7.841 6.744 1.00 0.48 H new ATOM 0 HB3 GLN A 105 4.620 6.553 7.153 1.00 0.48 H new ATOM 0 HG2 GLN A 105 6.182 5.644 8.793 1.00 0.67 H new ATOM 0 HG3 GLN A 105 7.419 6.787 8.309 1.00 0.67 H new ATOM 0 HE21 GLN A 105 7.248 9.002 8.895 1.00 1.65 H new ATOM 0 HE22 GLN A 105 6.141 9.526 10.168 1.00 1.65 H new ATOM 1656 N ALA A 106 5.924 6.724 3.719 1.00 0.31 N ATOM 1657 CA ALA A 106 5.209 6.863 2.457 1.00 0.30 C ATOM 1658 C ALA A 106 5.513 5.698 1.523 1.00 0.31 C ATOM 1659 O ALA A 106 4.683 5.318 0.697 1.00 0.62 O ATOM 1660 CB ALA A 106 5.566 8.183 1.791 1.00 0.31 C ATOM 0 H ALA A 106 6.799 7.246 3.768 1.00 0.31 H new ATOM 0 HA ALA A 106 4.140 6.854 2.670 1.00 0.30 H new ATOM 0 HB1 ALA A 106 5.025 8.273 0.849 1.00 0.31 H new ATOM 0 HB2 ALA A 106 5.291 9.008 2.448 1.00 0.31 H new ATOM 0 HB3 ALA A 106 6.638 8.215 1.598 1.00 0.31 H new ATOM 1666 N PHE A 107 6.710 5.137 1.658 1.00 0.21 N ATOM 1667 CA PHE A 107 7.128 4.016 0.824 1.00 0.19 C ATOM 1668 C PHE A 107 6.823 2.684 1.500 1.00 0.18 C ATOM 1669 O PHE A 107 7.211 2.456 2.646 1.00 0.24 O ATOM 1670 CB PHE A 107 8.625 4.110 0.518 1.00 0.23 C ATOM 1671 CG PHE A 107 9.013 5.353 -0.230 1.00 0.19 C ATOM 1672 CD1 PHE A 107 8.817 5.442 -1.600 1.00 0.22 C ATOM 1673 CD2 PHE A 107 9.574 6.432 0.434 1.00 0.26 C ATOM 1674 CE1 PHE A 107 9.175 6.583 -2.292 1.00 0.22 C ATOM 1675 CE2 PHE A 107 9.935 7.576 -0.253 1.00 0.27 C ATOM 1676 CZ PHE A 107 9.734 7.652 -1.618 1.00 0.21 C ATOM 0 H PHE A 107 7.408 5.440 2.337 1.00 0.21 H new ATOM 0 HA PHE A 107 6.566 4.066 -0.109 1.00 0.19 H new ATOM 0 HB2 PHE A 107 9.181 4.072 1.455 1.00 0.23 H new ATOM 0 HB3 PHE A 107 8.923 3.238 -0.065 1.00 0.23 H new ATOM 0 HD1 PHE A 107 8.380 4.610 -2.132 1.00 0.22 H new ATOM 0 HD2 PHE A 107 9.731 6.379 1.501 1.00 0.26 H new ATOM 0 HE1 PHE A 107 9.018 6.639 -3.359 1.00 0.22 H new ATOM 0 HE2 PHE A 107 10.373 8.409 0.276 1.00 0.27 H new ATOM 0 HZ PHE A 107 10.013 8.545 -2.157 1.00 0.21 H new ATOM 1686 N PHE A 108 6.124 1.808 0.783 1.00 0.16 N ATOM 1687 CA PHE A 108 5.769 0.494 1.310 1.00 0.17 C ATOM 1688 C PHE A 108 6.434 -0.612 0.497 1.00 0.18 C ATOM 1689 O PHE A 108 6.363 -0.620 -0.731 1.00 0.27 O ATOM 1690 CB PHE A 108 4.251 0.308 1.295 1.00 0.17 C ATOM 1691 CG PHE A 108 3.513 1.319 2.123 1.00 0.20 C ATOM 1692 CD1 PHE A 108 3.373 1.144 3.491 1.00 0.26 C ATOM 1693 CD2 PHE A 108 2.963 2.446 1.535 1.00 0.27 C ATOM 1694 CE1 PHE A 108 2.695 2.074 4.257 1.00 0.30 C ATOM 1695 CE2 PHE A 108 2.285 3.380 2.296 1.00 0.32 C ATOM 1696 CZ PHE A 108 2.144 3.188 3.657 1.00 0.32 C ATOM 0 H PHE A 108 5.792 1.985 -0.165 1.00 0.16 H new ATOM 0 HA PHE A 108 6.125 0.433 2.338 1.00 0.17 H new ATOM 0 HB2 PHE A 108 3.897 0.365 0.266 1.00 0.17 H new ATOM 0 HB3 PHE A 108 4.012 -0.691 1.659 1.00 0.17 H new ATOM 0 HD1 PHE A 108 3.798 0.271 3.964 1.00 0.26 H new ATOM 0 HD2 PHE A 108 3.065 2.597 0.470 1.00 0.27 H new ATOM 0 HE1 PHE A 108 2.597 1.929 5.323 1.00 0.30 H new ATOM 0 HE2 PHE A 108 1.866 4.258 1.827 1.00 0.32 H new ATOM 0 HZ PHE A 108 1.603 3.909 4.251 1.00 0.32 H new ATOM 1706 N VAL A 109 7.080 -1.547 1.185 1.00 0.17 N ATOM 1707 CA VAL A 109 7.752 -2.650 0.512 1.00 0.18 C ATOM 1708 C VAL A 109 6.749 -3.718 0.088 1.00 0.20 C ATOM 1709 O VAL A 109 6.313 -4.533 0.898 1.00 0.22 O ATOM 1710 CB VAL A 109 8.827 -3.289 1.412 1.00 0.21 C ATOM 1711 CG1 VAL A 109 9.561 -4.394 0.674 1.00 0.23 C ATOM 1712 CG2 VAL A 109 9.810 -2.237 1.896 1.00 0.21 C ATOM 0 H VAL A 109 7.152 -1.563 2.202 1.00 0.17 H new ATOM 0 HA VAL A 109 8.237 -2.238 -0.373 1.00 0.18 H new ATOM 0 HB VAL A 109 8.329 -3.726 2.277 1.00 0.21 H new ATOM 0 HG11 VAL A 109 10.315 -4.830 1.329 1.00 0.23 H new ATOM 0 HG12 VAL A 109 8.851 -5.165 0.374 1.00 0.23 H new ATOM 0 HG13 VAL A 109 10.045 -3.981 -0.211 1.00 0.23 H new ATOM 0 HG21 VAL A 109 10.562 -2.706 2.530 1.00 0.21 H new ATOM 0 HG22 VAL A 109 10.297 -1.772 1.039 1.00 0.21 H new ATOM 0 HG23 VAL A 109 9.277 -1.476 2.467 1.00 0.21 H new ATOM 1722 N LEU A 110 6.392 -3.705 -1.192 1.00 0.24 N ATOM 1723 CA LEU A 110 5.431 -4.659 -1.733 1.00 0.27 C ATOM 1724 C LEU A 110 6.028 -6.060 -1.829 1.00 0.25 C ATOM 1725 O LEU A 110 7.184 -6.230 -2.221 1.00 0.30 O ATOM 1726 CB LEU A 110 4.950 -4.200 -3.111 1.00 0.35 C ATOM 1727 CG LEU A 110 3.848 -5.059 -3.731 1.00 0.48 C ATOM 1728 CD1 LEU A 110 2.871 -4.189 -4.504 1.00 0.89 C ATOM 1729 CD2 LEU A 110 4.446 -6.123 -4.641 1.00 1.01 C ATOM 0 H LEU A 110 6.755 -3.042 -1.876 1.00 0.24 H new ATOM 0 HA LEU A 110 4.583 -4.701 -1.050 1.00 0.27 H new ATOM 0 HB2 LEU A 110 4.588 -3.175 -3.030 1.00 0.35 H new ATOM 0 HB3 LEU A 110 5.803 -4.184 -3.790 1.00 0.35 H new ATOM 0 HG LEU A 110 3.308 -5.559 -2.927 1.00 0.48 H new ATOM 0 HD11 LEU A 110 2.092 -4.815 -4.940 1.00 0.89 H new ATOM 0 HD12 LEU A 110 2.418 -3.463 -3.829 1.00 0.89 H new ATOM 0 HD13 LEU A 110 3.401 -3.664 -5.299 1.00 0.89 H new ATOM 0 HD21 LEU A 110 3.646 -6.724 -5.073 1.00 1.01 H new ATOM 0 HD22 LEU A 110 5.011 -5.643 -5.440 1.00 1.01 H new ATOM 0 HD23 LEU A 110 5.110 -6.765 -4.063 1.00 1.01 H new ATOM 1741 N HIS A 111 5.229 -7.060 -1.467 1.00 0.24 N ATOM 1742 CA HIS A 111 5.664 -8.452 -1.515 1.00 0.26 C ATOM 1743 C HIS A 111 4.601 -9.330 -2.173 1.00 0.25 C ATOM 1744 O HIS A 111 3.411 -9.198 -1.885 1.00 0.26 O ATOM 1745 CB HIS A 111 5.963 -8.972 -0.108 1.00 0.27 C ATOM 1746 CG HIS A 111 7.208 -8.399 0.496 1.00 0.32 C ATOM 1747 ND1 HIS A 111 8.467 -8.900 0.240 1.00 0.55 N ATOM 1748 CD2 HIS A 111 7.384 -7.368 1.354 1.00 0.26 C ATOM 1749 CE1 HIS A 111 9.363 -8.203 0.916 1.00 0.55 C ATOM 1750 NE2 HIS A 111 8.731 -7.268 1.600 1.00 0.36 N ATOM 0 H HIS A 111 4.273 -6.931 -1.136 1.00 0.24 H new ATOM 0 HA HIS A 111 6.576 -8.497 -2.111 1.00 0.26 H new ATOM 0 HB2 HIS A 111 5.117 -8.744 0.541 1.00 0.27 H new ATOM 0 HB3 HIS A 111 6.054 -10.058 -0.144 1.00 0.27 H new ATOM 0 HD2 HIS A 111 6.609 -6.740 1.768 1.00 0.26 H new ATOM 0 HE1 HIS A 111 10.430 -8.370 0.910 1.00 0.55 H new ATOM 0 HE2 HIS A 111 9.172 -6.582 2.212 1.00 0.36 H new ATOM 1759 N ASN A 112 5.038 -10.223 -3.056 1.00 0.29 N ATOM 1760 CA ASN A 112 4.125 -11.125 -3.749 1.00 0.30 C ATOM 1761 C ASN A 112 3.895 -12.392 -2.933 1.00 0.29 C ATOM 1762 O ASN A 112 4.844 -13.061 -2.528 1.00 0.44 O ATOM 1763 CB ASN A 112 4.679 -11.486 -5.129 1.00 0.46 C ATOM 1764 CG ASN A 112 4.915 -10.265 -5.994 1.00 1.42 C ATOM 1765 OD1 ASN A 112 6.000 -9.683 -5.982 1.00 2.14 O ATOM 1766 ND2 ASN A 112 3.898 -9.869 -6.750 1.00 2.13 N ATOM 0 H ASN A 112 6.019 -10.341 -3.308 1.00 0.29 H new ATOM 0 HA ASN A 112 3.170 -10.613 -3.873 1.00 0.30 H new ATOM 0 HB2 ASN A 112 5.616 -12.030 -5.010 1.00 0.46 H new ATOM 0 HB3 ASN A 112 3.983 -12.156 -5.633 1.00 0.46 H new ATOM 0 HD21 ASN A 112 3.998 -9.052 -7.353 1.00 2.13 H new ATOM 0 HD22 ASN A 112 3.016 -10.382 -6.728 1.00 2.13 H new ATOM 1773 N MET A 113 2.627 -12.716 -2.693 1.00 0.28 N ATOM 1774 CA MET A 113 2.277 -13.901 -1.918 1.00 0.36 C ATOM 1775 C MET A 113 1.666 -14.983 -2.806 1.00 0.40 C ATOM 1776 O MET A 113 1.931 -16.172 -2.620 1.00 0.46 O ATOM 1777 CB MET A 113 1.303 -13.534 -0.798 1.00 0.43 C ATOM 1778 CG MET A 113 1.860 -12.519 0.187 1.00 0.47 C ATOM 1779 SD MET A 113 0.798 -12.287 1.625 1.00 0.89 S ATOM 1780 CE MET A 113 0.841 -13.926 2.346 1.00 0.58 C ATOM 0 H MET A 113 1.827 -12.176 -3.023 1.00 0.28 H new ATOM 0 HA MET A 113 3.194 -14.297 -1.481 1.00 0.36 H new ATOM 0 HB2 MET A 113 0.389 -13.136 -1.239 1.00 0.43 H new ATOM 0 HB3 MET A 113 1.027 -14.439 -0.257 1.00 0.43 H new ATOM 0 HG2 MET A 113 2.846 -12.844 0.518 1.00 0.47 H new ATOM 0 HG3 MET A 113 1.993 -11.563 -0.319 1.00 0.47 H new ATOM 0 HE1 MET A 113 -0.120 -14.416 2.192 1.00 0.58 H new ATOM 0 HE2 MET A 113 1.628 -14.512 1.871 1.00 0.58 H new ATOM 0 HE3 MET A 113 1.042 -13.848 3.415 1.00 0.58 H new ATOM 1790 N HIS A 114 0.849 -14.566 -3.769 1.00 0.45 N ATOM 1791 CA HIS A 114 0.203 -15.506 -4.681 1.00 0.51 C ATOM 1792 C HIS A 114 0.376 -15.075 -6.134 1.00 0.47 C ATOM 1793 O HIS A 114 1.234 -14.251 -6.452 1.00 0.46 O ATOM 1794 CB HIS A 114 -1.284 -15.631 -4.347 1.00 0.54 C ATOM 1795 CG HIS A 114 -1.546 -16.151 -2.967 1.00 0.67 C ATOM 1796 ND1 HIS A 114 -1.893 -17.459 -2.709 1.00 0.94 N ATOM 1797 CD2 HIS A 114 -1.513 -15.529 -1.764 1.00 1.39 C ATOM 1798 CE1 HIS A 114 -2.062 -17.620 -1.408 1.00 1.40 C ATOM 1799 NE2 HIS A 114 -1.837 -16.464 -0.812 1.00 1.75 N ATOM 0 H HIS A 114 0.619 -13.587 -3.938 1.00 0.45 H new ATOM 0 HA HIS A 114 0.682 -16.477 -4.555 1.00 0.51 H new ATOM 0 HB2 HIS A 114 -1.755 -14.654 -4.454 1.00 0.54 H new ATOM 0 HB3 HIS A 114 -1.756 -16.294 -5.072 1.00 0.54 H new ATOM 0 HD2 HIS A 114 -1.276 -14.490 -1.587 1.00 1.39 H new ATOM 0 HE1 HIS A 114 -2.337 -18.541 -0.916 1.00 1.40 H new ATOM 0 HE2 HIS A 114 -1.894 -16.293 0.192 1.00 1.75 H new ATOM 1808 N SER A 115 -0.445 -15.645 -7.012 1.00 0.49 N ATOM 1809 CA SER A 115 -0.390 -15.336 -8.436 1.00 0.54 C ATOM 1810 C SER A 115 -0.599 -13.847 -8.698 1.00 0.50 C ATOM 1811 O SER A 115 0.251 -13.194 -9.305 1.00 0.56 O ATOM 1812 CB SER A 115 -1.444 -16.146 -9.192 1.00 0.59 C ATOM 1813 OG SER A 115 -1.207 -17.538 -9.065 1.00 1.50 O ATOM 0 H SER A 115 -1.160 -16.327 -6.759 1.00 0.49 H new ATOM 0 HA SER A 115 0.604 -15.605 -8.793 1.00 0.54 H new ATOM 0 HB2 SER A 115 -2.436 -15.906 -8.808 1.00 0.59 H new ATOM 0 HB3 SER A 115 -1.434 -15.867 -10.246 1.00 0.59 H new ATOM 0 HG SER A 115 -1.896 -18.033 -9.556 1.00 1.50 H new ATOM 1819 N ASN A 116 -1.728 -13.317 -8.241 1.00 0.45 N ATOM 1820 CA ASN A 116 -2.043 -11.906 -8.442 1.00 0.50 C ATOM 1821 C ASN A 116 -2.149 -11.164 -7.112 1.00 0.44 C ATOM 1822 O ASN A 116 -2.194 -9.934 -7.079 1.00 0.66 O ATOM 1823 CB ASN A 116 -3.349 -11.764 -9.229 1.00 0.61 C ATOM 1824 CG ASN A 116 -3.664 -10.323 -9.578 1.00 1.08 C ATOM 1825 OD1 ASN A 116 -4.335 -9.621 -8.821 1.00 1.93 O ATOM 1826 ND2 ASN A 116 -3.179 -9.875 -10.730 1.00 1.68 N ATOM 0 H ASN A 116 -2.439 -13.841 -7.730 1.00 0.45 H new ATOM 0 HA ASN A 116 -1.229 -11.459 -9.012 1.00 0.50 H new ATOM 0 HB2 ASN A 116 -3.282 -12.350 -10.146 1.00 0.61 H new ATOM 0 HB3 ASN A 116 -4.169 -12.180 -8.644 1.00 0.61 H new ATOM 0 HD21 ASN A 116 -3.358 -8.913 -11.019 1.00 1.68 H new ATOM 0 HD22 ASN A 116 -2.628 -10.493 -11.326 1.00 1.68 H new ATOM 1833 N CYS A 117 -2.188 -11.916 -6.016 1.00 0.32 N ATOM 1834 CA CYS A 117 -2.292 -11.321 -4.688 1.00 0.32 C ATOM 1835 C CYS A 117 -0.980 -10.658 -4.282 1.00 0.28 C ATOM 1836 O CYS A 117 0.100 -11.207 -4.505 1.00 0.34 O ATOM 1837 CB CYS A 117 -2.677 -12.385 -3.659 1.00 0.43 C ATOM 1838 SG CYS A 117 -4.142 -13.344 -4.104 1.00 0.97 S ATOM 0 H CYS A 117 -2.149 -12.935 -6.021 1.00 0.32 H new ATOM 0 HA CYS A 117 -3.069 -10.557 -4.721 1.00 0.32 H new ATOM 0 HB2 CYS A 117 -1.837 -13.066 -3.525 1.00 0.43 H new ATOM 0 HB3 CYS A 117 -2.851 -11.900 -2.698 1.00 0.43 H new ATOM 0 HG CYS A 117 -5.006 -13.292 -3.134 1.00 0.97 H new ATOM 1844 N VAL A 118 -1.078 -9.472 -3.688 1.00 0.25 N ATOM 1845 CA VAL A 118 0.103 -8.735 -3.250 1.00 0.27 C ATOM 1846 C VAL A 118 -0.080 -8.186 -1.837 1.00 0.24 C ATOM 1847 O VAL A 118 -1.199 -8.110 -1.330 1.00 0.28 O ATOM 1848 CB VAL A 118 0.429 -7.567 -4.202 1.00 0.37 C ATOM 1849 CG1 VAL A 118 0.800 -8.086 -5.582 1.00 0.46 C ATOM 1850 CG2 VAL A 118 -0.744 -6.602 -4.288 1.00 0.41 C ATOM 0 H VAL A 118 -1.963 -9.001 -3.499 1.00 0.25 H new ATOM 0 HA VAL A 118 0.932 -9.442 -3.259 1.00 0.27 H new ATOM 0 HB VAL A 118 1.286 -7.028 -3.799 1.00 0.37 H new ATOM 0 HG11 VAL A 118 1.026 -7.246 -6.238 1.00 0.46 H new ATOM 0 HG12 VAL A 118 1.675 -8.732 -5.505 1.00 0.46 H new ATOM 0 HG13 VAL A 118 -0.035 -8.653 -5.994 1.00 0.46 H new ATOM 0 HG21 VAL A 118 -0.494 -5.785 -4.965 1.00 0.41 H new ATOM 0 HG22 VAL A 118 -1.621 -7.128 -4.663 1.00 0.41 H new ATOM 0 HG23 VAL A 118 -0.958 -6.200 -3.298 1.00 0.41 H new ATOM 1860 N SER A 119 1.030 -7.810 -1.208 1.00 0.24 N ATOM 1861 CA SER A 119 0.997 -7.266 0.146 1.00 0.23 C ATOM 1862 C SER A 119 1.829 -5.990 0.235 1.00 0.21 C ATOM 1863 O SER A 119 2.717 -5.760 -0.586 1.00 0.30 O ATOM 1864 CB SER A 119 1.520 -8.300 1.145 1.00 0.29 C ATOM 1865 OG SER A 119 2.860 -8.658 0.855 1.00 1.09 O ATOM 0 H SER A 119 1.963 -7.872 -1.614 1.00 0.24 H new ATOM 0 HA SER A 119 -0.037 -7.025 0.392 1.00 0.23 H new ATOM 0 HB2 SER A 119 1.459 -7.897 2.156 1.00 0.29 H new ATOM 0 HB3 SER A 119 0.889 -9.188 1.117 1.00 0.29 H new ATOM 0 HG SER A 119 2.936 -8.903 -0.091 1.00 1.09 H new ATOM 1871 N PHE A 120 1.538 -5.165 1.237 1.00 0.20 N ATOM 1872 CA PHE A 120 2.260 -3.910 1.428 1.00 0.18 C ATOM 1873 C PHE A 120 2.933 -3.872 2.796 1.00 0.18 C ATOM 1874 O PHE A 120 2.312 -3.504 3.793 1.00 0.27 O ATOM 1875 CB PHE A 120 1.302 -2.728 1.285 1.00 0.21 C ATOM 1876 CG PHE A 120 0.541 -2.728 -0.010 1.00 0.24 C ATOM 1877 CD1 PHE A 120 1.052 -2.088 -1.129 1.00 0.40 C ATOM 1878 CD2 PHE A 120 -0.683 -3.366 -0.107 1.00 0.28 C ATOM 1879 CE1 PHE A 120 0.352 -2.086 -2.321 1.00 0.45 C ATOM 1880 CE2 PHE A 120 -1.388 -3.368 -1.296 1.00 0.32 C ATOM 1881 CZ PHE A 120 -0.865 -2.734 -2.408 1.00 0.35 C ATOM 0 H PHE A 120 0.809 -5.342 1.928 1.00 0.20 H new ATOM 0 HA PHE A 120 3.033 -3.841 0.663 1.00 0.18 H new ATOM 0 HB2 PHE A 120 0.594 -2.742 2.114 1.00 0.21 H new ATOM 0 HB3 PHE A 120 1.868 -1.800 1.365 1.00 0.21 H new ATOM 0 HD1 PHE A 120 2.006 -1.586 -1.069 1.00 0.40 H new ATOM 0 HD2 PHE A 120 -1.093 -3.869 0.757 1.00 0.28 H new ATOM 0 HE1 PHE A 120 0.756 -1.578 -3.184 1.00 0.45 H new ATOM 0 HE2 PHE A 120 -2.346 -3.864 -1.356 1.00 0.32 H new ATOM 0 HZ PHE A 120 -1.407 -2.745 -3.342 1.00 0.35 H new ATOM 1891 N GLU A 121 4.208 -4.243 2.835 1.00 0.19 N ATOM 1892 CA GLU A 121 4.967 -4.257 4.083 1.00 0.19 C ATOM 1893 C GLU A 121 5.413 -2.849 4.473 1.00 0.19 C ATOM 1894 O GLU A 121 5.809 -2.055 3.619 1.00 0.19 O ATOM 1895 CB GLU A 121 6.186 -5.173 3.948 1.00 0.23 C ATOM 1896 CG GLU A 121 7.022 -5.269 5.214 1.00 0.29 C ATOM 1897 CD GLU A 121 8.211 -6.193 5.058 1.00 0.33 C ATOM 1898 OE1 GLU A 121 8.063 -7.404 5.328 1.00 0.45 O ATOM 1899 OE2 GLU A 121 9.292 -5.708 4.665 1.00 0.35 O ATOM 0 H GLU A 121 4.740 -4.539 2.016 1.00 0.19 H new ATOM 0 HA GLU A 121 4.316 -4.638 4.870 1.00 0.19 H new ATOM 0 HB2 GLU A 121 5.850 -6.172 3.669 1.00 0.23 H new ATOM 0 HB3 GLU A 121 6.814 -4.809 3.135 1.00 0.23 H new ATOM 0 HG2 GLU A 121 7.373 -4.275 5.489 1.00 0.29 H new ATOM 0 HG3 GLU A 121 6.396 -5.624 6.032 1.00 0.29 H new ATOM 1906 N CYS A 122 5.349 -2.550 5.770 1.00 0.22 N ATOM 1907 CA CYS A 122 5.747 -1.240 6.273 1.00 0.24 C ATOM 1908 C CYS A 122 7.266 -1.112 6.308 1.00 0.27 C ATOM 1909 O CYS A 122 7.952 -1.920 6.934 1.00 0.26 O ATOM 1910 CB CYS A 122 5.174 -1.013 7.673 1.00 0.27 C ATOM 1911 SG CYS A 122 3.370 -1.083 7.754 1.00 0.31 S ATOM 0 H CYS A 122 5.026 -3.197 6.489 1.00 0.22 H new ATOM 0 HA CYS A 122 5.350 -0.482 5.598 1.00 0.24 H new ATOM 0 HB2 CYS A 122 5.586 -1.763 8.348 1.00 0.27 H new ATOM 0 HB3 CYS A 122 5.506 -0.040 8.036 1.00 0.27 H new ATOM 0 HG CYS A 122 2.992 -1.094 8.998 1.00 0.31 H new ATOM 1917 N LYS A 123 7.782 -0.091 5.631 1.00 0.34 N ATOM 1918 CA LYS A 123 9.219 0.147 5.578 1.00 0.41 C ATOM 1919 C LYS A 123 9.755 0.537 6.952 1.00 0.43 C ATOM 1920 O LYS A 123 10.944 0.387 7.231 1.00 0.48 O ATOM 1921 CB LYS A 123 9.538 1.245 4.563 1.00 0.48 C ATOM 1922 CG LYS A 123 11.019 1.362 4.240 1.00 0.65 C ATOM 1923 CD LYS A 123 11.283 2.483 3.246 1.00 0.67 C ATOM 1924 CE LYS A 123 12.734 2.496 2.796 1.00 0.69 C ATOM 1925 NZ LYS A 123 13.674 2.600 3.945 1.00 1.39 N ATOM 0 H LYS A 123 7.224 0.586 5.110 1.00 0.34 H new ATOM 0 HA LYS A 123 9.705 -0.778 5.266 1.00 0.41 H new ATOM 0 HB2 LYS A 123 8.988 1.049 3.643 1.00 0.48 H new ATOM 0 HB3 LYS A 123 9.182 2.200 4.949 1.00 0.48 H new ATOM 0 HG2 LYS A 123 11.579 1.547 5.156 1.00 0.65 H new ATOM 0 HG3 LYS A 123 11.379 0.418 3.831 1.00 0.65 H new ATOM 0 HD2 LYS A 123 10.633 2.363 2.379 1.00 0.67 H new ATOM 0 HD3 LYS A 123 11.033 3.441 3.702 1.00 0.67 H new ATOM 0 HE2 LYS A 123 12.947 1.586 2.234 1.00 0.69 H new ATOM 0 HE3 LYS A 123 12.896 3.334 2.118 1.00 0.69 H new ATOM 0 HZ1 LYS A 123 14.641 2.742 3.590 1.00 1.39 H new ATOM 0 HZ2 LYS A 123 13.403 3.406 4.543 1.00 1.39 H new ATOM 0 HZ3 LYS A 123 13.636 1.725 4.505 1.00 1.39 H new ATOM 1939 N THR A 124 8.868 1.042 7.804 1.00 0.43 N ATOM 1940 CA THR A 124 9.247 1.451 9.151 1.00 0.49 C ATOM 1941 C THR A 124 9.170 0.276 10.120 1.00 0.44 C ATOM 1942 O THR A 124 9.837 0.267 11.156 1.00 0.50 O ATOM 1943 CB THR A 124 8.346 2.589 9.668 1.00 0.59 C ATOM 1944 OG1 THR A 124 6.972 2.195 9.601 1.00 1.19 O ATOM 1945 CG2 THR A 124 8.558 3.857 8.853 1.00 0.88 C ATOM 0 H THR A 124 7.881 1.178 7.585 1.00 0.43 H new ATOM 0 HA THR A 124 10.275 1.810 9.097 1.00 0.49 H new ATOM 0 HB THR A 124 8.613 2.793 10.705 1.00 0.59 H new ATOM 0 HG1 THR A 124 6.757 1.625 10.369 1.00 1.19 H new ATOM 0 HG21 THR A 124 7.912 4.647 9.235 1.00 0.88 H new ATOM 0 HG22 THR A 124 9.599 4.170 8.931 1.00 0.88 H new ATOM 0 HG23 THR A 124 8.315 3.663 7.808 1.00 0.88 H new ATOM 1953 N ASP A 125 8.355 -0.715 9.773 1.00 0.39 N ATOM 1954 CA ASP A 125 8.187 -1.900 10.607 1.00 0.42 C ATOM 1955 C ASP A 125 8.175 -3.167 9.752 1.00 0.35 C ATOM 1956 O ASP A 125 7.165 -3.488 9.127 1.00 0.36 O ATOM 1957 CB ASP A 125 6.887 -1.802 11.409 1.00 0.52 C ATOM 1958 CG ASP A 125 6.880 -0.617 12.355 1.00 0.64 C ATOM 1959 OD1 ASP A 125 6.541 0.498 11.906 1.00 0.65 O ATOM 1960 OD2 ASP A 125 7.214 -0.804 13.544 1.00 0.78 O ATOM 0 H ASP A 125 7.799 -0.721 8.918 1.00 0.39 H new ATOM 0 HA ASP A 125 9.030 -1.954 11.296 1.00 0.42 H new ATOM 0 HB2 ASP A 125 6.045 -1.720 10.722 1.00 0.52 H new ATOM 0 HB3 ASP A 125 6.745 -2.720 11.979 1.00 0.52 H new ATOM 1965 N PRO A 126 9.300 -3.905 9.702 1.00 0.43 N ATOM 1966 CA PRO A 126 9.393 -5.139 8.914 1.00 0.46 C ATOM 1967 C PRO A 126 8.567 -6.273 9.513 1.00 0.45 C ATOM 1968 O PRO A 126 8.639 -6.537 10.714 1.00 0.56 O ATOM 1969 CB PRO A 126 10.883 -5.480 8.961 1.00 0.62 C ATOM 1970 CG PRO A 126 11.378 -4.851 10.216 1.00 0.89 C ATOM 1971 CD PRO A 126 10.563 -3.601 10.402 1.00 0.60 C ATOM 0 HA PRO A 126 9.005 -5.007 7.904 1.00 0.46 H new ATOM 0 HB2 PRO A 126 11.042 -6.558 8.970 1.00 0.62 H new ATOM 0 HB3 PRO A 126 11.406 -5.088 8.089 1.00 0.62 H new ATOM 0 HG2 PRO A 126 11.258 -5.525 11.064 1.00 0.89 H new ATOM 0 HG3 PRO A 126 12.440 -4.617 10.143 1.00 0.89 H new ATOM 0 HD2 PRO A 126 10.395 -3.385 11.457 1.00 0.60 H new ATOM 0 HD3 PRO A 126 11.060 -2.731 9.973 1.00 0.60 H new ATOM 1979 N GLY A 127 7.784 -6.941 8.671 1.00 0.40 N ATOM 1980 CA GLY A 127 6.961 -8.043 9.139 1.00 0.43 C ATOM 1981 C GLY A 127 5.474 -7.734 9.104 1.00 0.44 C ATOM 1982 O GLY A 127 4.651 -8.648 9.056 1.00 0.65 O ATOM 0 H GLY A 127 7.704 -6.740 7.674 1.00 0.40 H new ATOM 0 HA2 GLY A 127 7.158 -8.922 8.525 1.00 0.43 H new ATOM 0 HA3 GLY A 127 7.249 -8.296 10.159 1.00 0.43 H new ATOM 1986 N VAL A 128 5.126 -6.450 9.131 1.00 0.28 N ATOM 1987 CA VAL A 128 3.723 -6.045 9.104 1.00 0.32 C ATOM 1988 C VAL A 128 3.318 -5.541 7.725 1.00 0.21 C ATOM 1989 O VAL A 128 4.077 -4.838 7.060 1.00 0.16 O ATOM 1990 CB VAL A 128 3.424 -4.954 10.154 1.00 0.42 C ATOM 1991 CG1 VAL A 128 4.336 -3.760 9.974 1.00 0.93 C ATOM 1992 CG2 VAL A 128 1.963 -4.532 10.097 1.00 1.27 C ATOM 0 H VAL A 128 5.790 -5.677 9.171 1.00 0.28 H new ATOM 0 HA VAL A 128 3.138 -6.933 9.345 1.00 0.32 H new ATOM 0 HB VAL A 128 3.617 -5.378 11.140 1.00 0.42 H new ATOM 0 HG11 VAL A 128 4.103 -3.007 10.727 1.00 0.93 H new ATOM 0 HG12 VAL A 128 5.374 -4.075 10.085 1.00 0.93 H new ATOM 0 HG13 VAL A 128 4.189 -3.337 8.980 1.00 0.93 H new ATOM 0 HG21 VAL A 128 1.777 -3.762 10.846 1.00 1.27 H new ATOM 0 HG22 VAL A 128 1.737 -4.137 9.107 1.00 1.27 H new ATOM 0 HG23 VAL A 128 1.327 -5.394 10.297 1.00 1.27 H new ATOM 2002 N PHE A 129 2.111 -5.909 7.303 1.00 0.23 N ATOM 2003 CA PHE A 129 1.596 -5.501 6.000 1.00 0.19 C ATOM 2004 C PHE A 129 0.197 -4.907 6.133 1.00 0.16 C ATOM 2005 O PHE A 129 -0.560 -5.275 7.033 1.00 0.18 O ATOM 2006 CB PHE A 129 1.554 -6.696 5.041 1.00 0.29 C ATOM 2007 CG PHE A 129 2.552 -7.774 5.360 1.00 0.26 C ATOM 2008 CD1 PHE A 129 3.823 -7.750 4.810 1.00 0.30 C ATOM 2009 CD2 PHE A 129 2.212 -8.818 6.207 1.00 0.49 C ATOM 2010 CE1 PHE A 129 4.738 -8.745 5.099 1.00 0.38 C ATOM 2011 CE2 PHE A 129 3.122 -9.816 6.501 1.00 0.58 C ATOM 2012 CZ PHE A 129 4.386 -9.779 5.946 1.00 0.46 C ATOM 0 H PHE A 129 1.471 -6.489 7.845 1.00 0.23 H new ATOM 0 HA PHE A 129 2.267 -4.741 5.598 1.00 0.19 H new ATOM 0 HB2 PHE A 129 0.553 -7.126 5.057 1.00 0.29 H new ATOM 0 HB3 PHE A 129 1.731 -6.340 4.026 1.00 0.29 H new ATOM 0 HD1 PHE A 129 4.102 -6.944 4.147 1.00 0.30 H new ATOM 0 HD2 PHE A 129 1.224 -8.852 6.642 1.00 0.49 H new ATOM 0 HE1 PHE A 129 5.726 -8.715 4.664 1.00 0.38 H new ATOM 0 HE2 PHE A 129 2.845 -10.623 7.163 1.00 0.58 H new ATOM 0 HZ PHE A 129 5.099 -10.558 6.174 1.00 0.46 H new ATOM 2022 N ILE A 130 -0.140 -3.984 5.236 1.00 0.16 N ATOM 2023 CA ILE A 130 -1.454 -3.356 5.249 1.00 0.16 C ATOM 2024 C ILE A 130 -2.526 -4.383 4.913 1.00 0.18 C ATOM 2025 O ILE A 130 -2.325 -5.237 4.050 1.00 0.26 O ATOM 2026 CB ILE A 130 -1.537 -2.196 4.237 1.00 0.19 C ATOM 2027 CG1 ILE A 130 -0.375 -1.222 4.448 1.00 0.21 C ATOM 2028 CG2 ILE A 130 -2.873 -1.479 4.368 1.00 0.25 C ATOM 2029 CD1 ILE A 130 -0.309 -0.119 3.411 1.00 0.25 C ATOM 0 H ILE A 130 0.478 -3.656 4.494 1.00 0.16 H new ATOM 0 HA ILE A 130 -1.617 -2.957 6.250 1.00 0.16 H new ATOM 0 HB ILE A 130 -1.463 -2.603 3.228 1.00 0.19 H new ATOM 0 HG12 ILE A 130 -0.464 -0.773 5.437 1.00 0.21 H new ATOM 0 HG13 ILE A 130 0.562 -1.779 4.433 1.00 0.21 H new ATOM 0 HG21 ILE A 130 -2.920 -0.662 3.648 1.00 0.25 H new ATOM 0 HG22 ILE A 130 -3.683 -2.181 4.173 1.00 0.25 H new ATOM 0 HG23 ILE A 130 -2.974 -1.080 5.377 1.00 0.25 H new ATOM 0 HD11 ILE A 130 0.539 0.532 3.625 1.00 0.25 H new ATOM 0 HD12 ILE A 130 -0.189 -0.558 2.420 1.00 0.25 H new ATOM 0 HD13 ILE A 130 -1.230 0.464 3.440 1.00 0.25 H new ATOM 2041 N GLY A 131 -3.663 -4.300 5.594 1.00 0.19 N ATOM 2042 CA GLY A 131 -4.735 -5.243 5.342 1.00 0.20 C ATOM 2043 C GLY A 131 -6.053 -4.809 5.947 1.00 0.16 C ATOM 2044 O GLY A 131 -6.088 -3.980 6.855 1.00 0.19 O ATOM 0 H GLY A 131 -3.861 -3.602 6.311 1.00 0.19 H new ATOM 0 HA2 GLY A 131 -4.858 -5.367 4.266 1.00 0.20 H new ATOM 0 HA3 GLY A 131 -4.458 -6.217 5.746 1.00 0.20 H new ATOM 2048 N VAL A 132 -7.139 -5.379 5.439 1.00 0.18 N ATOM 2049 CA VAL A 132 -8.474 -5.061 5.925 1.00 0.16 C ATOM 2050 C VAL A 132 -8.755 -5.767 7.247 1.00 0.17 C ATOM 2051 O VAL A 132 -8.908 -6.988 7.291 1.00 0.22 O ATOM 2052 CB VAL A 132 -9.549 -5.457 4.897 1.00 0.17 C ATOM 2053 CG1 VAL A 132 -10.940 -5.144 5.421 1.00 0.18 C ATOM 2054 CG2 VAL A 132 -9.299 -4.752 3.573 1.00 0.22 C ATOM 0 H VAL A 132 -7.119 -6.067 4.687 1.00 0.18 H new ATOM 0 HA VAL A 132 -8.513 -3.983 6.080 1.00 0.16 H new ATOM 0 HB VAL A 132 -9.488 -6.533 4.732 1.00 0.17 H new ATOM 0 HG11 VAL A 132 -11.683 -5.433 4.677 1.00 0.18 H new ATOM 0 HG12 VAL A 132 -11.115 -5.699 6.343 1.00 0.18 H new ATOM 0 HG13 VAL A 132 -11.022 -4.075 5.620 1.00 0.18 H new ATOM 0 HG21 VAL A 132 -10.067 -5.042 2.856 1.00 0.22 H new ATOM 0 HG22 VAL A 132 -9.332 -3.673 3.724 1.00 0.22 H new ATOM 0 HG23 VAL A 132 -8.319 -5.035 3.189 1.00 0.22 H new ATOM 2064 N LYS A 133 -8.821 -4.987 8.323 1.00 0.17 N ATOM 2065 CA LYS A 133 -9.082 -5.534 9.649 1.00 0.21 C ATOM 2066 C LYS A 133 -10.554 -5.907 9.797 1.00 0.22 C ATOM 2067 O LYS A 133 -10.946 -7.040 9.519 1.00 0.24 O ATOM 2068 CB LYS A 133 -8.680 -4.523 10.726 1.00 0.29 C ATOM 2069 CG LYS A 133 -8.707 -5.088 12.137 1.00 0.35 C ATOM 2070 CD LYS A 133 -7.586 -6.090 12.357 1.00 1.17 C ATOM 2071 CE LYS A 133 -7.593 -6.631 13.774 1.00 1.20 C ATOM 2072 NZ LYS A 133 -8.927 -7.167 14.159 1.00 2.26 N ATOM 0 H LYS A 133 -8.697 -3.975 8.301 1.00 0.17 H new ATOM 0 HA LYS A 133 -8.485 -6.437 9.773 1.00 0.21 H new ATOM 0 HB2 LYS A 133 -7.677 -4.156 10.510 1.00 0.29 H new ATOM 0 HB3 LYS A 133 -9.351 -3.665 10.675 1.00 0.29 H new ATOM 0 HG2 LYS A 133 -8.616 -4.275 12.857 1.00 0.35 H new ATOM 0 HG3 LYS A 133 -9.668 -5.570 12.319 1.00 0.35 H new ATOM 0 HD2 LYS A 133 -7.690 -6.914 11.651 1.00 1.17 H new ATOM 0 HD3 LYS A 133 -6.627 -5.615 12.153 1.00 1.17 H new ATOM 0 HE2 LYS A 133 -6.846 -7.419 13.865 1.00 1.20 H new ATOM 0 HE3 LYS A 133 -7.307 -5.839 14.466 1.00 1.20 H new ATOM 0 HZ1 LYS A 133 -8.839 -7.719 15.036 1.00 2.26 H new ATOM 0 HZ2 LYS A 133 -9.587 -6.378 14.311 1.00 2.26 H new ATOM 0 HZ3 LYS A 133 -9.288 -7.779 13.399 1.00 2.26 H new ATOM 2086 N ASP A 134 -11.365 -4.948 10.235 1.00 0.26 N ATOM 2087 CA ASP A 134 -12.794 -5.175 10.409 1.00 0.31 C ATOM 2088 C ASP A 134 -13.539 -4.882 9.111 1.00 0.28 C ATOM 2089 O ASP A 134 -14.234 -5.743 8.571 1.00 0.30 O ATOM 2090 CB ASP A 134 -13.335 -4.299 11.540 1.00 0.39 C ATOM 2091 CG ASP A 134 -14.789 -4.588 11.854 1.00 1.40 C ATOM 2092 OD1 ASP A 134 -15.124 -5.769 12.084 1.00 1.76 O ATOM 2093 OD2 ASP A 134 -15.594 -3.633 11.871 1.00 2.23 O ATOM 0 H ASP A 134 -11.056 -4.006 10.476 1.00 0.26 H new ATOM 0 HA ASP A 134 -12.951 -6.221 10.672 1.00 0.31 H new ATOM 0 HB2 ASP A 134 -12.735 -4.457 12.436 1.00 0.39 H new ATOM 0 HB3 ASP A 134 -13.228 -3.250 11.265 1.00 0.39 H new ATOM 2098 N ASN A 135 -13.381 -3.656 8.615 1.00 0.27 N ATOM 2099 CA ASN A 135 -14.023 -3.234 7.375 1.00 0.27 C ATOM 2100 C ASN A 135 -13.215 -2.125 6.708 1.00 0.23 C ATOM 2101 O ASN A 135 -13.676 -1.488 5.761 1.00 0.26 O ATOM 2102 CB ASN A 135 -15.450 -2.742 7.640 1.00 0.35 C ATOM 2103 CG ASN A 135 -16.347 -3.829 8.197 1.00 1.25 C ATOM 2104 OD1 ASN A 135 -16.449 -4.004 9.410 1.00 2.08 O ATOM 2105 ND2 ASN A 135 -17.005 -4.567 7.311 1.00 1.98 N ATOM 0 H ASN A 135 -12.810 -2.935 9.057 1.00 0.27 H new ATOM 0 HA ASN A 135 -14.067 -4.096 6.709 1.00 0.27 H new ATOM 0 HB2 ASN A 135 -15.418 -1.908 8.341 1.00 0.35 H new ATOM 0 HB3 ASN A 135 -15.878 -2.363 6.712 1.00 0.35 H new ATOM 0 HD21 ASN A 135 -17.624 -5.313 7.628 1.00 1.98 H new ATOM 0 HD22 ASN A 135 -16.891 -4.388 6.313 1.00 1.98 H new ATOM 2112 N HIS A 136 -12.003 -1.905 7.211 1.00 0.19 N ATOM 2113 CA HIS A 136 -11.124 -0.873 6.675 1.00 0.21 C ATOM 2114 C HIS A 136 -9.669 -1.329 6.712 1.00 0.19 C ATOM 2115 O HIS A 136 -9.367 -2.422 7.187 1.00 0.17 O ATOM 2116 CB HIS A 136 -11.286 0.428 7.464 1.00 0.28 C ATOM 2117 CG HIS A 136 -10.934 0.298 8.914 1.00 0.35 C ATOM 2118 ND1 HIS A 136 -9.779 0.819 9.460 1.00 1.34 N ATOM 2119 CD2 HIS A 136 -11.595 -0.294 9.937 1.00 0.89 C ATOM 2120 CE1 HIS A 136 -9.745 0.553 10.753 1.00 1.15 C ATOM 2121 NE2 HIS A 136 -10.835 -0.121 11.067 1.00 0.49 N ATOM 0 H HIS A 136 -11.608 -2.430 7.991 1.00 0.19 H new ATOM 0 HA HIS A 136 -11.404 -0.694 5.637 1.00 0.21 H new ATOM 0 HB2 HIS A 136 -10.658 1.197 7.014 1.00 0.28 H new ATOM 0 HB3 HIS A 136 -12.318 0.769 7.378 1.00 0.28 H new ATOM 0 HD1 HIS A 136 -9.062 1.330 8.945 1.00 1.34 H new ATOM 0 HD2 HIS A 136 -12.544 -0.807 9.875 1.00 0.89 H new ATOM 0 HE1 HIS A 136 -8.959 0.838 11.437 1.00 1.15 H new ATOM 2130 N LEU A 137 -8.774 -0.480 6.219 1.00 0.21 N ATOM 2131 CA LEU A 137 -7.350 -0.803 6.187 1.00 0.22 C ATOM 2132 C LEU A 137 -6.718 -0.655 7.568 1.00 0.25 C ATOM 2133 O LEU A 137 -7.146 0.171 8.376 1.00 0.38 O ATOM 2134 CB LEU A 137 -6.623 0.093 5.183 1.00 0.27 C ATOM 2135 CG LEU A 137 -7.014 -0.122 3.720 1.00 0.27 C ATOM 2136 CD1 LEU A 137 -6.365 0.931 2.834 1.00 0.32 C ATOM 2137 CD2 LEU A 137 -6.617 -1.519 3.264 1.00 0.27 C ATOM 0 H LEU A 137 -9.008 0.436 5.836 1.00 0.21 H new ATOM 0 HA LEU A 137 -7.252 -1.843 5.876 1.00 0.22 H new ATOM 0 HB2 LEU A 137 -6.813 1.134 5.445 1.00 0.27 H new ATOM 0 HB3 LEU A 137 -5.550 -0.070 5.284 1.00 0.27 H new ATOM 0 HG LEU A 137 -8.096 -0.024 3.634 1.00 0.27 H new ATOM 0 HD11 LEU A 137 -6.654 0.762 1.797 1.00 0.32 H new ATOM 0 HD12 LEU A 137 -6.694 1.922 3.146 1.00 0.32 H new ATOM 0 HD13 LEU A 137 -5.281 0.864 2.924 1.00 0.32 H new ATOM 0 HD21 LEU A 137 -6.902 -1.656 2.221 1.00 0.27 H new ATOM 0 HD22 LEU A 137 -5.539 -1.642 3.365 1.00 0.27 H new ATOM 0 HD23 LEU A 137 -7.126 -2.261 3.880 1.00 0.27 H new ATOM 2149 N ALA A 138 -5.697 -1.467 7.825 1.00 0.20 N ATOM 2150 CA ALA A 138 -4.991 -1.440 9.101 1.00 0.21 C ATOM 2151 C ALA A 138 -3.689 -2.229 9.013 1.00 0.22 C ATOM 2152 O ALA A 138 -3.577 -3.173 8.230 1.00 0.30 O ATOM 2153 CB ALA A 138 -5.875 -1.997 10.207 1.00 0.20 C ATOM 0 H ALA A 138 -5.339 -2.155 7.163 1.00 0.20 H new ATOM 0 HA ALA A 138 -4.748 -0.404 9.337 1.00 0.21 H new ATOM 0 HB1 ALA A 138 -5.334 -1.970 11.153 1.00 0.20 H new ATOM 0 HB2 ALA A 138 -6.779 -1.394 10.289 1.00 0.20 H new ATOM 0 HB3 ALA A 138 -6.146 -3.027 9.973 1.00 0.20 H new ATOM 2159 N LEU A 139 -2.707 -1.839 9.820 1.00 0.19 N ATOM 2160 CA LEU A 139 -1.414 -2.515 9.830 1.00 0.21 C ATOM 2161 C LEU A 139 -1.534 -3.904 10.446 1.00 0.22 C ATOM 2162 O LEU A 139 -1.500 -4.057 11.667 1.00 0.28 O ATOM 2163 CB LEU A 139 -0.379 -1.690 10.605 1.00 0.23 C ATOM 2164 CG LEU A 139 0.222 -0.503 9.844 1.00 0.30 C ATOM 2165 CD1 LEU A 139 -0.863 0.474 9.411 1.00 0.62 C ATOM 2166 CD2 LEU A 139 1.260 0.203 10.704 1.00 0.82 C ATOM 0 H LEU A 139 -2.782 -1.060 10.474 1.00 0.19 H new ATOM 0 HA LEU A 139 -1.082 -2.618 8.797 1.00 0.21 H new ATOM 0 HB2 LEU A 139 -0.846 -1.316 11.516 1.00 0.23 H new ATOM 0 HB3 LEU A 139 0.432 -2.351 10.911 1.00 0.23 H new ATOM 0 HG LEU A 139 0.709 -0.885 8.947 1.00 0.30 H new ATOM 0 HD11 LEU A 139 -0.409 1.307 8.873 1.00 0.62 H new ATOM 0 HD12 LEU A 139 -1.572 -0.036 8.759 1.00 0.62 H new ATOM 0 HD13 LEU A 139 -1.385 0.851 10.290 1.00 0.62 H new ATOM 0 HD21 LEU A 139 1.679 1.044 10.152 1.00 0.82 H new ATOM 0 HD22 LEU A 139 0.789 0.567 11.617 1.00 0.82 H new ATOM 0 HD23 LEU A 139 2.056 -0.496 10.960 1.00 0.82 H new ATOM 2178 N ILE A 140 -1.675 -4.912 9.593 1.00 0.18 N ATOM 2179 CA ILE A 140 -1.800 -6.289 10.052 1.00 0.19 C ATOM 2180 C ILE A 140 -0.480 -7.032 9.893 1.00 0.25 C ATOM 2181 O ILE A 140 -0.046 -7.320 8.776 1.00 0.31 O ATOM 2182 CB ILE A 140 -2.900 -7.042 9.281 1.00 0.19 C ATOM 2183 CG1 ILE A 140 -4.195 -6.225 9.274 1.00 0.33 C ATOM 2184 CG2 ILE A 140 -3.135 -8.416 9.894 1.00 0.21 C ATOM 2185 CD1 ILE A 140 -5.309 -6.849 8.461 1.00 0.44 C ATOM 0 H ILE A 140 -1.706 -4.801 8.580 1.00 0.18 H new ATOM 0 HA ILE A 140 -2.073 -6.253 11.107 1.00 0.19 H new ATOM 0 HB ILE A 140 -2.572 -7.180 8.251 1.00 0.19 H new ATOM 0 HG12 ILE A 140 -4.537 -6.095 10.301 1.00 0.33 H new ATOM 0 HG13 ILE A 140 -3.984 -5.231 8.880 1.00 0.33 H new ATOM 0 HG21 ILE A 140 -3.915 -8.934 9.337 1.00 0.21 H new ATOM 0 HG22 ILE A 140 -2.213 -8.996 9.852 1.00 0.21 H new ATOM 0 HG23 ILE A 140 -3.445 -8.303 10.933 1.00 0.21 H new ATOM 0 HD11 ILE A 140 -6.192 -6.212 8.505 1.00 0.44 H new ATOM 0 HD12 ILE A 140 -4.988 -6.954 7.425 1.00 0.44 H new ATOM 0 HD13 ILE A 140 -5.550 -7.831 8.867 1.00 0.44 H new ATOM 2197 N LYS A 141 0.158 -7.336 11.017 1.00 0.35 N ATOM 2198 CA LYS A 141 1.434 -8.042 11.007 1.00 0.44 C ATOM 2199 C LYS A 141 1.227 -9.545 11.146 1.00 0.32 C ATOM 2200 O LYS A 141 0.837 -10.036 12.205 1.00 0.50 O ATOM 2201 CB LYS A 141 2.342 -7.522 12.126 1.00 0.70 C ATOM 2202 CG LYS A 141 3.597 -8.352 12.333 1.00 0.79 C ATOM 2203 CD LYS A 141 4.499 -7.752 13.400 1.00 0.98 C ATOM 2204 CE LYS A 141 3.844 -7.792 14.771 1.00 1.45 C ATOM 2205 NZ LYS A 141 3.454 -9.177 15.160 1.00 2.04 N ATOM 0 H LYS A 141 -0.188 -7.104 11.948 1.00 0.35 H new ATOM 0 HA LYS A 141 1.918 -7.853 10.049 1.00 0.44 H new ATOM 0 HB2 LYS A 141 2.630 -6.495 11.900 1.00 0.70 H new ATOM 0 HB3 LYS A 141 1.777 -7.497 13.058 1.00 0.70 H new ATOM 0 HG2 LYS A 141 3.319 -9.366 12.620 1.00 0.79 H new ATOM 0 HG3 LYS A 141 4.144 -8.425 11.393 1.00 0.79 H new ATOM 0 HD2 LYS A 141 5.442 -8.298 13.430 1.00 0.98 H new ATOM 0 HD3 LYS A 141 4.736 -6.721 13.139 1.00 0.98 H new ATOM 0 HE2 LYS A 141 4.531 -7.386 15.514 1.00 1.45 H new ATOM 0 HE3 LYS A 141 2.961 -7.153 14.770 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 3.673 -9.330 16.165 1.00 2.04 H new ATOM 0 HZ2 LYS A 141 2.434 -9.307 15.005 1.00 2.04 H new ATOM 0 HZ3 LYS A 141 3.982 -9.862 14.582 1.00 2.04 H new ATOM 2219 N VAL A 142 1.493 -10.269 10.063 1.00 0.35 N ATOM 2220 CA VAL A 142 1.337 -11.717 10.048 1.00 0.41 C ATOM 2221 C VAL A 142 2.688 -12.412 9.913 1.00 0.49 C ATOM 2222 O VAL A 142 3.485 -12.078 9.036 1.00 0.70 O ATOM 2223 CB VAL A 142 0.418 -12.166 8.895 1.00 0.56 C ATOM 2224 CG1 VAL A 142 0.283 -13.681 8.868 1.00 0.92 C ATOM 2225 CG2 VAL A 142 -0.947 -11.504 9.013 1.00 0.81 C ATOM 0 H VAL A 142 1.819 -9.873 9.181 1.00 0.35 H new ATOM 0 HA VAL A 142 0.882 -12.001 10.997 1.00 0.41 H new ATOM 0 HB VAL A 142 0.871 -11.852 7.955 1.00 0.56 H new ATOM 0 HG11 VAL A 142 -0.370 -13.973 8.046 1.00 0.92 H new ATOM 0 HG12 VAL A 142 1.266 -14.131 8.729 1.00 0.92 H new ATOM 0 HG13 VAL A 142 -0.143 -14.025 9.810 1.00 0.92 H new ATOM 0 HG21 VAL A 142 -1.583 -11.832 8.191 1.00 0.81 H new ATOM 0 HG22 VAL A 142 -1.406 -11.784 9.961 1.00 0.81 H new ATOM 0 HG23 VAL A 142 -0.831 -10.421 8.972 1.00 0.81 H new ATOM 2328 N THR A 150 -4.231 -15.960 5.487 1.00 0.52 N ATOM 2329 CA THR A 150 -4.988 -14.753 5.797 1.00 0.47 C ATOM 2330 C THR A 150 -5.259 -13.933 4.541 1.00 0.37 C ATOM 2331 O THR A 150 -4.351 -13.331 3.968 1.00 0.35 O ATOM 2332 CB THR A 150 -4.249 -13.873 6.823 1.00 0.52 C ATOM 2333 OG1 THR A 150 -2.902 -13.646 6.395 1.00 0.83 O ATOM 2334 CG2 THR A 150 -4.245 -14.531 8.195 1.00 1.06 C ATOM 0 HA THR A 150 -5.936 -15.078 6.225 1.00 0.47 H new ATOM 0 HB THR A 150 -4.772 -12.920 6.894 1.00 0.52 H new ATOM 0 HG1 THR A 150 -2.633 -14.353 5.772 1.00 0.83 H new ATOM 0 HG21 THR A 150 -3.718 -13.892 8.903 1.00 1.06 H new ATOM 0 HG22 THR A 150 -5.271 -14.677 8.532 1.00 1.06 H new ATOM 0 HG23 THR A 150 -3.743 -15.497 8.134 1.00 1.06 H new ATOM 2342 N GLU A 151 -6.520 -13.919 4.117 1.00 0.38 N ATOM 2343 CA GLU A 151 -6.928 -13.177 2.929 1.00 0.34 C ATOM 2344 C GLU A 151 -6.776 -11.673 3.143 1.00 0.28 C ATOM 2345 O GLU A 151 -6.757 -10.898 2.186 1.00 0.28 O ATOM 2346 CB GLU A 151 -8.379 -13.508 2.577 1.00 0.46 C ATOM 2347 CG GLU A 151 -8.654 -14.999 2.454 1.00 1.22 C ATOM 2348 CD GLU A 151 -10.127 -15.307 2.273 1.00 1.34 C ATOM 2349 OE1 GLU A 151 -10.889 -15.168 3.251 1.00 1.46 O ATOM 2350 OE2 GLU A 151 -10.520 -15.685 1.148 1.00 1.95 O ATOM 0 H GLU A 151 -7.280 -14.416 4.582 1.00 0.38 H new ATOM 0 HA GLU A 151 -6.280 -13.473 2.104 1.00 0.34 H new ATOM 0 HB2 GLU A 151 -9.034 -13.089 3.341 1.00 0.46 H new ATOM 0 HB3 GLU A 151 -8.635 -13.021 1.636 1.00 0.46 H new ATOM 0 HG2 GLU A 151 -8.096 -15.399 1.607 1.00 1.22 H new ATOM 0 HG3 GLU A 151 -8.287 -15.507 3.346 1.00 1.22 H new ATOM 2357 N ASN A 152 -6.671 -11.270 4.405 1.00 0.27 N ATOM 2358 CA ASN A 152 -6.532 -9.860 4.756 1.00 0.28 C ATOM 2359 C ASN A 152 -5.289 -9.240 4.123 1.00 0.29 C ATOM 2360 O ASN A 152 -5.357 -8.165 3.528 1.00 0.32 O ATOM 2361 CB ASN A 152 -6.477 -9.700 6.276 1.00 0.37 C ATOM 2362 CG ASN A 152 -7.758 -10.150 6.954 1.00 0.53 C ATOM 2363 OD1 ASN A 152 -8.459 -11.034 6.460 1.00 1.30 O ATOM 2364 ND2 ASN A 152 -8.068 -9.543 8.092 1.00 1.29 N ATOM 0 H ASN A 152 -6.680 -11.902 5.205 1.00 0.27 H new ATOM 0 HA ASN A 152 -7.403 -9.335 4.365 1.00 0.28 H new ATOM 0 HB2 ASN A 152 -5.640 -10.277 6.669 1.00 0.37 H new ATOM 0 HB3 ASN A 152 -6.287 -8.655 6.522 1.00 0.37 H new ATOM 0 HD21 ASN A 152 -8.917 -9.804 8.594 1.00 1.29 H new ATOM 0 HD22 ASN A 152 -7.458 -8.816 8.465 1.00 1.29 H new ATOM 2371 N ILE A 153 -4.155 -9.923 4.255 1.00 0.31 N ATOM 2372 CA ILE A 153 -2.897 -9.426 3.704 1.00 0.37 C ATOM 2373 C ILE A 153 -2.759 -9.759 2.220 1.00 0.38 C ATOM 2374 O ILE A 153 -1.647 -9.907 1.708 1.00 0.71 O ATOM 2375 CB ILE A 153 -1.687 -9.999 4.466 1.00 0.42 C ATOM 2376 CG1 ILE A 153 -1.739 -11.529 4.473 1.00 0.40 C ATOM 2377 CG2 ILE A 153 -1.656 -9.453 5.887 1.00 0.48 C ATOM 2378 CD1 ILE A 153 -0.514 -12.176 5.084 1.00 0.48 C ATOM 0 H ILE A 153 -4.081 -10.819 4.737 1.00 0.31 H new ATOM 0 HA ILE A 153 -2.914 -8.342 3.820 1.00 0.37 H new ATOM 0 HB ILE A 153 -0.773 -9.691 3.959 1.00 0.42 H new ATOM 0 HG12 ILE A 153 -2.622 -11.851 5.024 1.00 0.40 H new ATOM 0 HG13 ILE A 153 -1.855 -11.885 3.449 1.00 0.40 H new ATOM 0 HG21 ILE A 153 -0.797 -9.865 6.416 1.00 0.48 H new ATOM 0 HG22 ILE A 153 -1.577 -8.366 5.858 1.00 0.48 H new ATOM 0 HG23 ILE A 153 -2.572 -9.737 6.406 1.00 0.48 H new ATOM 0 HD11 ILE A 153 -0.622 -13.260 5.054 1.00 0.48 H new ATOM 0 HD12 ILE A 153 0.372 -11.884 4.519 1.00 0.48 H new ATOM 0 HD13 ILE A 153 -0.408 -11.850 6.119 1.00 0.48 H new ATOM 2390 N LEU A 154 -3.890 -9.876 1.533 1.00 0.24 N ATOM 2391 CA LEU A 154 -3.894 -10.183 0.108 1.00 0.22 C ATOM 2392 C LEU A 154 -4.721 -9.156 -0.659 1.00 0.20 C ATOM 2393 O LEU A 154 -5.925 -9.023 -0.434 1.00 0.28 O ATOM 2394 CB LEU A 154 -4.447 -11.590 -0.134 1.00 0.23 C ATOM 2395 CG LEU A 154 -3.694 -12.715 0.581 1.00 0.28 C ATOM 2396 CD1 LEU A 154 -4.351 -14.058 0.298 1.00 0.30 C ATOM 2397 CD2 LEU A 154 -2.232 -12.738 0.157 1.00 0.35 C ATOM 0 H LEU A 154 -4.818 -9.763 1.941 1.00 0.24 H new ATOM 0 HA LEU A 154 -2.866 -10.143 -0.253 1.00 0.22 H new ATOM 0 HB2 LEU A 154 -5.490 -11.613 0.183 1.00 0.23 H new ATOM 0 HB3 LEU A 154 -4.435 -11.789 -1.206 1.00 0.23 H new ATOM 0 HG LEU A 154 -3.736 -12.527 1.654 1.00 0.28 H new ATOM 0 HD11 LEU A 154 -3.803 -14.847 0.814 1.00 0.30 H new ATOM 0 HD12 LEU A 154 -5.382 -14.041 0.652 1.00 0.30 H new ATOM 0 HD13 LEU A 154 -4.339 -14.250 -0.775 1.00 0.30 H new ATOM 0 HD21 LEU A 154 -1.715 -13.545 0.677 1.00 0.35 H new ATOM 0 HD22 LEU A 154 -2.168 -12.900 -0.919 1.00 0.35 H new ATOM 0 HD23 LEU A 154 -1.765 -11.786 0.409 1.00 0.35 H new ATOM 2409 N PHE A 155 -4.069 -8.430 -1.564 1.00 0.17 N ATOM 2410 CA PHE A 155 -4.748 -7.409 -2.355 1.00 0.18 C ATOM 2411 C PHE A 155 -4.631 -7.688 -3.848 1.00 0.17 C ATOM 2412 O PHE A 155 -3.748 -8.424 -4.289 1.00 0.20 O ATOM 2413 CB PHE A 155 -4.172 -6.026 -2.047 1.00 0.22 C ATOM 2414 CG PHE A 155 -4.588 -5.484 -0.711 1.00 0.24 C ATOM 2415 CD1 PHE A 155 -3.962 -5.914 0.448 1.00 0.43 C ATOM 2416 CD2 PHE A 155 -5.601 -4.546 -0.615 1.00 0.37 C ATOM 2417 CE1 PHE A 155 -4.341 -5.416 1.681 1.00 0.52 C ATOM 2418 CE2 PHE A 155 -5.984 -4.045 0.614 1.00 0.42 C ATOM 2419 CZ PHE A 155 -5.361 -4.481 1.761 1.00 0.42 C ATOM 0 H PHE A 155 -3.074 -8.530 -1.767 1.00 0.17 H new ATOM 0 HA PHE A 155 -5.803 -7.434 -2.083 1.00 0.18 H new ATOM 0 HB2 PHE A 155 -3.084 -6.078 -2.085 1.00 0.22 H new ATOM 0 HB3 PHE A 155 -4.485 -5.330 -2.825 1.00 0.22 H new ATOM 0 HD1 PHE A 155 -3.170 -6.646 0.388 1.00 0.43 H new ATOM 0 HD2 PHE A 155 -6.097 -4.202 -1.510 1.00 0.37 H new ATOM 0 HE1 PHE A 155 -3.844 -5.754 2.578 1.00 0.52 H new ATOM 0 HE2 PHE A 155 -6.773 -3.310 0.675 1.00 0.42 H new ATOM 0 HZ PHE A 155 -5.667 -4.095 2.722 1.00 0.42 H new ATOM 2429 N LYS A 156 -5.535 -7.086 -4.615 1.00 0.18 N ATOM 2430 CA LYS A 156 -5.550 -7.243 -6.064 1.00 0.21 C ATOM 2431 C LYS A 156 -5.638 -5.876 -6.736 1.00 0.22 C ATOM 2432 O LYS A 156 -6.425 -5.023 -6.321 1.00 0.28 O ATOM 2433 CB LYS A 156 -6.732 -8.113 -6.496 1.00 0.24 C ATOM 2434 CG LYS A 156 -6.732 -9.501 -5.876 1.00 0.27 C ATOM 2435 CD LYS A 156 -7.890 -10.344 -6.392 1.00 0.40 C ATOM 2436 CE LYS A 156 -9.232 -9.794 -5.934 1.00 0.93 C ATOM 2437 NZ LYS A 156 -10.370 -10.609 -6.444 1.00 1.38 N ATOM 0 H LYS A 156 -6.272 -6.481 -4.253 1.00 0.18 H new ATOM 0 HA LYS A 156 -4.626 -7.733 -6.370 1.00 0.21 H new ATOM 0 HB2 LYS A 156 -7.660 -7.607 -6.230 1.00 0.24 H new ATOM 0 HB3 LYS A 156 -6.722 -8.210 -7.582 1.00 0.24 H new ATOM 0 HG2 LYS A 156 -5.789 -10.000 -6.100 1.00 0.27 H new ATOM 0 HG3 LYS A 156 -6.798 -9.416 -4.791 1.00 0.27 H new ATOM 0 HD2 LYS A 156 -7.861 -10.374 -7.481 1.00 0.40 H new ATOM 0 HD3 LYS A 156 -7.778 -11.370 -6.042 1.00 0.40 H new ATOM 0 HE2 LYS A 156 -9.262 -9.770 -4.845 1.00 0.93 H new ATOM 0 HE3 LYS A 156 -9.339 -8.765 -6.278 1.00 0.93 H new ATOM 0 HZ1 LYS A 156 -11.153 -9.981 -6.715 1.00 1.38 H new ATOM 0 HZ2 LYS A 156 -10.061 -11.156 -7.273 1.00 1.38 H new ATOM 0 HZ3 LYS A 156 -10.691 -11.261 -5.700 1.00 1.38 H new ATOM 2451 N LEU A 157 -4.826 -5.672 -7.768 1.00 0.25 N ATOM 2452 CA LEU A 157 -4.813 -4.401 -8.487 1.00 0.29 C ATOM 2453 C LEU A 157 -5.388 -4.555 -9.891 1.00 0.32 C ATOM 2454 O LEU A 157 -4.871 -5.319 -10.705 1.00 0.53 O ATOM 2455 CB LEU A 157 -3.387 -3.852 -8.567 1.00 0.39 C ATOM 2456 CG LEU A 157 -2.746 -3.513 -7.219 1.00 0.48 C ATOM 2457 CD1 LEU A 157 -1.266 -3.215 -7.397 1.00 0.58 C ATOM 2458 CD2 LEU A 157 -3.452 -2.331 -6.571 1.00 0.51 C ATOM 0 H LEU A 157 -4.170 -6.367 -8.125 1.00 0.25 H new ATOM 0 HA LEU A 157 -5.439 -3.699 -7.936 1.00 0.29 H new ATOM 0 HB2 LEU A 157 -2.760 -4.584 -9.076 1.00 0.39 H new ATOM 0 HB3 LEU A 157 -3.394 -2.954 -9.185 1.00 0.39 H new ATOM 0 HG LEU A 157 -2.850 -4.376 -6.562 1.00 0.48 H new ATOM 0 HD11 LEU A 157 -0.824 -2.976 -6.430 1.00 0.58 H new ATOM 0 HD12 LEU A 157 -0.767 -4.088 -7.818 1.00 0.58 H new ATOM 0 HD13 LEU A 157 -1.144 -2.367 -8.071 1.00 0.58 H new ATOM 0 HD21 LEU A 157 -2.981 -2.106 -5.614 1.00 0.51 H new ATOM 0 HD22 LEU A 157 -3.380 -1.461 -7.224 1.00 0.51 H new ATOM 0 HD23 LEU A 157 -4.501 -2.578 -6.410 1.00 0.51 H new ATOM 2470 N SER A 158 -6.462 -3.821 -10.165 1.00 0.41 N ATOM 2471 CA SER A 158 -7.110 -3.865 -11.466 1.00 0.48 C ATOM 2472 C SER A 158 -6.933 -2.543 -12.207 1.00 0.50 C ATOM 2473 O SER A 158 -7.462 -1.513 -11.789 1.00 0.69 O ATOM 2474 CB SER A 158 -8.597 -4.174 -11.302 1.00 0.57 C ATOM 2475 OG SER A 158 -8.793 -5.482 -10.797 1.00 1.47 O ATOM 0 H SER A 158 -6.902 -3.187 -9.498 1.00 0.41 H new ATOM 0 HA SER A 158 -6.642 -4.655 -12.053 1.00 0.48 H new ATOM 0 HB2 SER A 158 -9.050 -3.448 -10.627 1.00 0.57 H new ATOM 0 HB3 SER A 158 -9.101 -4.073 -12.263 1.00 0.57 H new ATOM 0 HG SER A 158 -9.753 -5.655 -10.700 1.00 1.47 H new ATOM 2481 N GLU A 159 -6.185 -2.581 -13.304 1.00 0.58 N ATOM 2482 CA GLU A 159 -5.939 -1.386 -14.104 1.00 0.66 C ATOM 2483 C GLU A 159 -6.850 -1.352 -15.328 1.00 0.60 C ATOM 2484 O GLU A 159 -6.489 -1.840 -16.400 1.00 0.73 O ATOM 2485 CB GLU A 159 -4.470 -1.318 -14.531 1.00 0.94 C ATOM 2486 CG GLU A 159 -3.933 -2.621 -15.104 1.00 1.13 C ATOM 2487 CD GLU A 159 -2.496 -2.502 -15.572 1.00 1.69 C ATOM 2488 OE1 GLU A 159 -1.583 -2.736 -14.752 1.00 2.11 O ATOM 2489 OE2 GLU A 159 -2.282 -2.175 -16.758 1.00 2.23 O ATOM 0 H GLU A 159 -5.738 -3.426 -13.660 1.00 0.58 H new ATOM 0 HA GLU A 159 -6.163 -0.515 -13.488 1.00 0.66 H new ATOM 0 HB2 GLU A 159 -4.354 -0.530 -15.276 1.00 0.94 H new ATOM 0 HB3 GLU A 159 -3.864 -1.034 -13.670 1.00 0.94 H new ATOM 0 HG2 GLU A 159 -4.001 -3.402 -14.347 1.00 1.13 H new ATOM 0 HG3 GLU A 159 -4.559 -2.932 -15.940 1.00 1.13 H new ATOM 2496 N THR A 160 -8.034 -0.772 -15.161 1.00 0.57 N ATOM 2497 CA THR A 160 -8.999 -0.673 -16.250 1.00 0.69 C ATOM 2498 C THR A 160 -9.989 0.466 -16.015 1.00 1.35 C ATOM 2499 O THR A 160 -9.752 1.572 -16.546 1.00 1.89 O ATOM 2500 CB THR A 160 -9.771 -1.995 -16.438 1.00 1.14 C ATOM 2501 OG1 THR A 160 -10.918 -1.780 -17.267 1.00 1.94 O ATOM 2502 CG2 THR A 160 -10.204 -2.575 -15.097 1.00 1.98 C ATOM 2503 OXT THR A 160 -10.991 0.246 -15.304 1.00 2.15 O ATOM 0 H THR A 160 -8.349 -0.363 -14.281 1.00 0.57 H new ATOM 0 HA THR A 160 -8.432 -0.464 -17.157 1.00 0.69 H new ATOM 0 HB THR A 160 -9.104 -2.710 -16.920 1.00 1.14 H new ATOM 0 HG1 THR A 160 -11.401 -2.625 -17.382 1.00 1.94 H new ATOM 0 HG21 THR A 160 -10.746 -3.506 -15.261 1.00 1.98 H new ATOM 0 HG22 THR A 160 -9.324 -2.770 -14.484 1.00 1.98 H new ATOM 0 HG23 THR A 160 -10.852 -1.864 -14.585 1.00 1.98 H new