USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 869 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 126 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 130 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.2!) USER MOD Set 2.1: A 92 TYR OH : rot 166:sc= 1.22 USER MOD Set 2.2: A 113 GLN : amide:sc= -0.878 K(o=-0.19,f=0.62) USER MOD Set 2.3: A 118 ASN : amide:sc= -0.536 K(o=-0.19,f=0.62) USER MOD Set 3.1: A 14 ASN : amide:sc= -4.14! C(o=-4.1!,f=-5.6!) USER MOD Set 3.2: A 89 LYS NZ :NH3+ -174:sc=0.000307 (180deg=0) USER MOD Set 4.1: A 21 CYS SG : rot -46:sc= -2.91 USER MOD Set 4.2: A 23 GLN : amide:sc= -0.448 X(o=-3.4,f=-3.1) USER MOD Set 5.1: A 20 SER OG : rot 160:sc= -0.63 USER MOD Set 5.2: A 121 ASN : amide:sc= -0.155 K(o=-0.78,f=-2.8!) USER MOD Set 6.1: A 17 THR OG1 : rot 163:sc= 0.564 USER MOD Set 6.2: A 47 HIS : no HD1:sc= -2.54! K(o=-3.7!,f=-0.1) USER MOD Set 6.3: A 48 ASN : amide:sc= -1.71 K(o=-3.7,f=-0.1) USER MOD Single : A 7 SER OG : rot 96:sc= -1.81 USER MOD Single : A 8 TYR OH : rot -169:sc= 1.03 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -160:sc= -3.29! USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot -179:sc= -2.21! USER MOD Single : A 51 MET CE :methyl -158:sc= -1.14! (180deg=-3.56!) USER MOD Single : A 53 MET CE :methyl 168:sc= -0.888 (180deg=-0.95) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= -0.0632 (180deg=-0.0632) USER MOD Single : A 69 MET CE :methyl -129:sc= -4.74! (180deg=-11!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 79 CYS SG : rot -62:sc= -0.536 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 66:sc= 1.08 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-6.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.000487 USER MOD Single : A 94 CYS SG : rot 140:sc= -2.4! USER MOD Single : A 96 THR OG1 : rot 101:sc= -1.97 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 160:sc= 0 USER MOD Single : A 115 TYR OH : rot 165:sc= -1.7 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -176:sc= -1.92! USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -15.7! C(o=-16!,f=-15!) USER MOD Single : A 134 SER OG : rot 101:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 100 N VAL A 6 3.282 -8.352 -3.421 1.00 0.00 N ATOM 101 CA VAL A 6 2.750 -7.799 -2.183 1.00 0.00 C ATOM 102 C VAL A 6 2.795 -8.831 -1.060 1.00 0.00 C ATOM 103 O VAL A 6 2.529 -10.014 -1.273 1.00 0.00 O ATOM 104 CB VAL A 6 1.310 -7.283 -2.359 1.00 0.00 C ATOM 105 CG1 VAL A 6 0.740 -6.812 -1.035 1.00 0.00 C ATOM 106 CG2 VAL A 6 1.266 -6.165 -3.382 1.00 0.00 C ATOM 0 HA VAL A 6 3.384 -6.954 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 6 0.696 -8.108 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.278 -6.452 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.731 -7.641 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.356 -6.004 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.240 -5.813 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.898 -5.342 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.628 -6.535 -4.341 1.00 0.00 H new ATOM 116 N SER A 7 3.145 -8.369 0.137 1.00 0.00 N ATOM 117 CA SER A 7 3.240 -9.244 1.300 1.00 0.00 C ATOM 118 C SER A 7 1.866 -9.690 1.783 1.00 0.00 C ATOM 119 O SER A 7 1.582 -10.885 1.850 1.00 0.00 O ATOM 120 CB SER A 7 3.983 -8.535 2.437 1.00 0.00 C ATOM 121 OG SER A 7 4.688 -7.403 1.959 1.00 0.00 O ATOM 0 H SER A 7 3.368 -7.392 0.327 1.00 0.00 H new ATOM 0 HA SER A 7 3.796 -10.132 0.998 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.272 -8.227 3.204 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.679 -9.228 2.908 1.00 0.00 H new ATOM 0 HG SER A 7 4.142 -6.599 2.088 1.00 0.00 H new ATOM 127 N TYR A 8 1.020 -8.727 2.138 1.00 0.00 N ATOM 128 CA TYR A 8 -0.314 -9.041 2.630 1.00 0.00 C ATOM 129 C TYR A 8 -1.317 -7.951 2.278 1.00 0.00 C ATOM 130 O TYR A 8 -1.213 -6.824 2.751 1.00 0.00 O ATOM 131 CB TYR A 8 -0.278 -9.238 4.140 1.00 0.00 C ATOM 132 CG TYR A 8 0.939 -9.993 4.630 1.00 0.00 C ATOM 133 CD1 TYR A 8 0.951 -11.382 4.664 1.00 0.00 C ATOM 134 CD2 TYR A 8 2.074 -9.316 5.054 1.00 0.00 C ATOM 135 CE1 TYR A 8 2.061 -12.074 5.109 1.00 0.00 C ATOM 136 CE2 TYR A 8 3.189 -10.002 5.500 1.00 0.00 C ATOM 137 CZ TYR A 8 3.177 -11.380 5.525 1.00 0.00 C ATOM 138 OH TYR A 8 4.285 -12.066 5.967 1.00 0.00 O ATOM 0 H TYR A 8 1.234 -7.731 2.094 1.00 0.00 H new ATOM 0 HA TYR A 8 -0.637 -9.962 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.308 -8.262 4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -1.175 -9.775 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.079 -11.929 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.087 -8.236 5.035 1.00 0.00 H new ATOM 0 HE1 TYR A 8 2.054 -13.154 5.131 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.065 -9.461 5.827 1.00 0.00 H new ATOM 0 HH TYR A 8 4.913 -11.440 6.384 1.00 0.00 H new ATOM 148 N VAL A 9 -2.301 -8.295 1.460 1.00 0.00 N ATOM 149 CA VAL A 9 -3.323 -7.325 1.068 1.00 0.00 C ATOM 150 C VAL A 9 -4.653 -7.640 1.735 1.00 0.00 C ATOM 151 O VAL A 9 -5.444 -8.430 1.221 1.00 0.00 O ATOM 152 CB VAL A 9 -3.536 -7.267 -0.462 1.00 0.00 C ATOM 153 CG1 VAL A 9 -4.084 -5.906 -0.865 1.00 0.00 C ATOM 154 CG2 VAL A 9 -2.245 -7.569 -1.213 1.00 0.00 C ATOM 0 H VAL A 9 -2.417 -9.225 1.057 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.957 -6.353 1.399 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.263 -8.033 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.230 -5.878 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.038 -5.735 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.378 -5.129 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.429 -7.520 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.486 -6.836 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.896 -8.567 -0.950 1.00 0.00 H new ATOM 164 N GLU A 10 -4.892 -7.022 2.888 1.00 0.00 N ATOM 165 CA GLU A 10 -6.126 -7.247 3.631 1.00 0.00 C ATOM 166 C GLU A 10 -7.121 -6.114 3.425 1.00 0.00 C ATOM 167 O GLU A 10 -6.890 -4.982 3.859 1.00 0.00 O ATOM 168 CB GLU A 10 -5.823 -7.396 5.122 1.00 0.00 C ATOM 169 CG GLU A 10 -6.494 -8.602 5.762 1.00 0.00 C ATOM 170 CD GLU A 10 -7.017 -8.311 7.155 1.00 0.00 C ATOM 171 OE1 GLU A 10 -6.772 -7.198 7.664 1.00 0.00 O ATOM 172 OE2 GLU A 10 -7.673 -9.200 7.737 1.00 0.00 O ATOM 0 H GLU A 10 -4.249 -6.363 3.327 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.574 -8.166 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.745 -7.476 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.145 -6.493 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.319 -8.931 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.782 -9.426 5.811 1.00 0.00 H new ATOM 179 N VAL A 11 -8.246 -6.429 2.797 1.00 0.00 N ATOM 180 CA VAL A 11 -9.290 -5.441 2.576 1.00 0.00 C ATOM 181 C VAL A 11 -10.120 -5.315 3.843 1.00 0.00 C ATOM 182 O VAL A 11 -10.077 -6.198 4.697 1.00 0.00 O ATOM 183 CB VAL A 11 -10.201 -5.828 1.397 1.00 0.00 C ATOM 184 CG1 VAL A 11 -11.255 -4.761 1.151 1.00 0.00 C ATOM 185 CG2 VAL A 11 -9.376 -6.067 0.145 1.00 0.00 C ATOM 0 H VAL A 11 -8.457 -7.358 2.433 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.819 -4.490 2.329 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.715 -6.754 1.654 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.885 -5.059 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.869 -4.644 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.767 -3.814 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.036 -6.340 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.832 -5.158 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -8.667 -6.875 0.325 1.00 0.00 H new ATOM 195 N ILE A 12 -10.858 -4.223 3.980 1.00 0.00 N ATOM 196 CA ILE A 12 -11.665 -4.016 5.175 1.00 0.00 C ATOM 197 C ILE A 12 -13.003 -3.367 4.855 1.00 0.00 C ATOM 198 O ILE A 12 -13.057 -2.270 4.314 1.00 0.00 O ATOM 199 CB ILE A 12 -10.910 -3.137 6.191 1.00 0.00 C ATOM 200 CG1 ILE A 12 -9.753 -3.919 6.818 1.00 0.00 C ATOM 201 CG2 ILE A 12 -11.848 -2.622 7.266 1.00 0.00 C ATOM 202 CD1 ILE A 12 -8.392 -3.376 6.458 1.00 0.00 C ATOM 0 H ILE A 12 -10.915 -3.475 3.289 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.854 -5.001 5.603 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.502 -2.278 5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.864 -3.909 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.815 -4.960 6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.290 -2.005 7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.636 -2.026 6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.292 -3.465 7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.621 -3.979 6.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.260 -3.412 5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.310 -2.344 6.800 1.00 0.00 H new ATOM 214 N LYS A 13 -14.088 -4.048 5.204 1.00 0.00 N ATOM 215 CA LYS A 13 -15.424 -3.515 4.957 1.00 0.00 C ATOM 216 C LYS A 13 -16.095 -3.049 6.250 1.00 0.00 C ATOM 217 O LYS A 13 -16.686 -3.846 6.973 1.00 0.00 O ATOM 218 CB LYS A 13 -16.308 -4.560 4.271 1.00 0.00 C ATOM 219 CG LYS A 13 -17.740 -4.104 4.048 1.00 0.00 C ATOM 220 CD LYS A 13 -18.371 -4.810 2.860 1.00 0.00 C ATOM 221 CE LYS A 13 -19.214 -3.855 2.027 1.00 0.00 C ATOM 222 NZ LYS A 13 -19.751 -4.510 0.803 1.00 0.00 N ATOM 0 H LYS A 13 -14.071 -4.963 5.655 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.307 -2.653 4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.866 -4.821 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.316 -5.468 4.875 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.329 -4.300 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.758 -3.027 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.590 -5.245 2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.993 -5.633 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.041 -3.480 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.611 -2.993 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.319 -3.826 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.962 -4.845 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.348 -5.317 1.075 1.00 0.00 H new ATOM 236 N ASN A 14 -16.018 -1.747 6.522 1.00 0.00 N ATOM 237 CA ASN A 14 -16.641 -1.171 7.715 1.00 0.00 C ATOM 238 C ASN A 14 -15.927 -1.597 8.996 1.00 0.00 C ATOM 239 O ASN A 14 -16.567 -1.828 10.022 1.00 0.00 O ATOM 240 CB ASN A 14 -18.114 -1.579 7.790 1.00 0.00 C ATOM 241 CG ASN A 14 -18.965 -0.550 8.508 1.00 0.00 C ATOM 242 OD1 ASN A 14 -18.449 0.323 9.204 1.00 0.00 O ATOM 243 ND2 ASN A 14 -20.279 -0.650 8.339 1.00 0.00 N ATOM 0 H ASN A 14 -15.531 -1.071 5.934 1.00 0.00 H new ATOM 0 HA ASN A 14 -16.561 -0.087 7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -18.499 -1.724 6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -18.197 -2.537 8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -20.904 0.014 8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -20.663 -1.391 7.752 1.00 0.00 H new ATOM 250 N GLY A 15 -14.603 -1.693 8.940 1.00 0.00 N ATOM 251 CA GLY A 15 -13.847 -2.084 10.112 1.00 0.00 C ATOM 252 C GLY A 15 -13.770 -3.586 10.283 1.00 0.00 C ATOM 253 O GLY A 15 -13.460 -4.078 11.369 1.00 0.00 O ATOM 0 H GLY A 15 -14.043 -1.508 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.838 -1.678 10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.305 -1.645 10.998 1.00 0.00 H new ATOM 257 N GLU A 16 -14.036 -4.317 9.209 1.00 0.00 N ATOM 258 CA GLU A 16 -13.977 -5.770 9.245 1.00 0.00 C ATOM 259 C GLU A 16 -13.465 -6.297 7.915 1.00 0.00 C ATOM 260 O GLU A 16 -14.060 -6.053 6.865 1.00 0.00 O ATOM 261 CB GLU A 16 -15.346 -6.371 9.575 1.00 0.00 C ATOM 262 CG GLU A 16 -16.468 -5.883 8.676 1.00 0.00 C ATOM 263 CD GLU A 16 -17.716 -6.737 8.787 1.00 0.00 C ATOM 264 OE1 GLU A 16 -18.762 -6.204 9.213 1.00 0.00 O ATOM 265 OE2 GLU A 16 -17.647 -7.936 8.445 1.00 0.00 O ATOM 0 H GLU A 16 -14.295 -3.927 8.303 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.288 -6.069 10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -15.282 -7.457 9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -15.595 -6.135 10.610 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.713 -4.853 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.125 -5.880 7.641 1.00 0.00 H new ATOM 272 N THR A 17 -12.341 -6.993 7.965 1.00 0.00 N ATOM 273 CA THR A 17 -11.720 -7.526 6.763 1.00 0.00 C ATOM 274 C THR A 17 -12.705 -8.299 5.890 1.00 0.00 C ATOM 275 O THR A 17 -13.416 -9.186 6.361 1.00 0.00 O ATOM 276 CB THR A 17 -10.544 -8.431 7.131 1.00 0.00 C ATOM 277 OG1 THR A 17 -9.690 -7.791 8.061 1.00 0.00 O ATOM 278 CG2 THR A 17 -9.707 -8.830 5.935 1.00 0.00 C ATOM 0 H THR A 17 -11.839 -7.203 8.828 1.00 0.00 H new ATOM 0 HA THR A 17 -11.366 -6.672 6.185 1.00 0.00 H new ATOM 0 HB THR A 17 -10.989 -9.328 7.561 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.108 -8.457 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.889 -9.472 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.328 -9.370 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.301 -7.937 5.461 1.00 0.00 H new ATOM 286 N ILE A 18 -12.707 -7.969 4.600 1.00 0.00 N ATOM 287 CA ILE A 18 -13.564 -8.642 3.628 1.00 0.00 C ATOM 288 C ILE A 18 -12.723 -9.595 2.799 1.00 0.00 C ATOM 289 O ILE A 18 -13.130 -10.716 2.494 1.00 0.00 O ATOM 290 CB ILE A 18 -14.263 -7.663 2.648 1.00 0.00 C ATOM 291 CG1 ILE A 18 -13.807 -6.219 2.866 1.00 0.00 C ATOM 292 CG2 ILE A 18 -15.772 -7.768 2.771 1.00 0.00 C ATOM 293 CD1 ILE A 18 -14.199 -5.296 1.731 1.00 0.00 C ATOM 0 H ILE A 18 -12.121 -7.235 4.203 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.335 -9.160 4.200 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.973 -7.951 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -14.236 -5.845 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -12.724 -6.200 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.243 -7.073 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -16.086 -8.785 2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -16.072 -7.521 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -13.847 -4.287 1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -13.748 -5.648 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -15.284 -5.288 1.627 1.00 0.00 H new ATOM 305 N SER A 19 -11.544 -9.115 2.436 1.00 0.00 N ATOM 306 CA SER A 19 -10.608 -9.889 1.625 1.00 0.00 C ATOM 307 C SER A 19 -9.233 -9.952 2.284 1.00 0.00 C ATOM 308 O SER A 19 -9.001 -9.324 3.318 1.00 0.00 O ATOM 309 CB SER A 19 -10.491 -9.271 0.231 1.00 0.00 C ATOM 310 OG SER A 19 -11.247 -8.079 0.140 1.00 0.00 O ATOM 0 H SER A 19 -11.208 -8.186 2.691 1.00 0.00 H new ATOM 0 HA SER A 19 -10.991 -10.906 1.539 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.445 -9.060 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.838 -9.984 -0.517 1.00 0.00 H new ATOM 0 HG SER A 19 -11.424 -7.875 -0.802 1.00 0.00 H new ATOM 316 N SER A 20 -8.321 -10.710 1.678 1.00 0.00 N ATOM 317 CA SER A 20 -6.973 -10.850 2.215 1.00 0.00 C ATOM 318 C SER A 20 -6.048 -11.568 1.235 1.00 0.00 C ATOM 319 O SER A 20 -6.408 -12.595 0.660 1.00 0.00 O ATOM 320 CB SER A 20 -7.009 -11.610 3.542 1.00 0.00 C ATOM 321 OG SER A 20 -7.081 -13.008 3.328 1.00 0.00 O ATOM 0 H SER A 20 -8.492 -11.233 0.819 1.00 0.00 H new ATOM 0 HA SER A 20 -6.579 -9.847 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.118 -11.374 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.868 -11.284 4.128 1.00 0.00 H new ATOM 0 HG SER A 20 -6.785 -13.478 4.135 1.00 0.00 H new ATOM 327 N CYS A 21 -4.847 -11.023 1.065 1.00 0.00 N ATOM 328 CA CYS A 21 -3.849 -11.608 0.173 1.00 0.00 C ATOM 329 C CYS A 21 -2.574 -11.906 0.952 1.00 0.00 C ATOM 330 O CYS A 21 -1.553 -11.246 0.770 1.00 0.00 O ATOM 331 CB CYS A 21 -3.545 -10.653 -0.985 1.00 0.00 C ATOM 332 SG CYS A 21 -2.188 -11.182 -2.059 1.00 0.00 S ATOM 0 H CYS A 21 -4.539 -10.172 1.536 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.244 -12.537 -0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.445 -10.537 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.306 -9.671 -0.576 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.187 -11.577 -1.330 1.00 0.00 H new ATOM 338 N PHE A 22 -2.647 -12.896 1.833 1.00 0.00 N ATOM 339 CA PHE A 22 -1.507 -13.267 2.658 1.00 0.00 C ATOM 340 C PHE A 22 -0.908 -14.581 2.186 1.00 0.00 C ATOM 341 O PHE A 22 -1.289 -15.655 2.652 1.00 0.00 O ATOM 342 CB PHE A 22 -1.933 -13.359 4.125 1.00 0.00 C ATOM 343 CG PHE A 22 -2.428 -12.049 4.667 1.00 0.00 C ATOM 344 CD1 PHE A 22 -1.887 -11.500 5.822 1.00 0.00 C ATOM 345 CD2 PHE A 22 -3.424 -11.349 4.001 1.00 0.00 C ATOM 346 CE1 PHE A 22 -2.334 -10.277 6.292 1.00 0.00 C ATOM 347 CE2 PHE A 22 -3.872 -10.135 4.472 1.00 0.00 C ATOM 348 CZ PHE A 22 -3.323 -9.599 5.614 1.00 0.00 C ATOM 0 H PHE A 22 -3.484 -13.456 1.994 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.741 -12.498 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.718 -14.109 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.088 -13.700 4.724 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.113 -12.030 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.854 -11.762 3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.908 -9.855 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.652 -9.605 3.946 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.669 -8.644 5.980 1.00 0.00 H new ATOM 358 N GLN A 23 0.028 -14.485 1.251 1.00 0.00 N ATOM 359 CA GLN A 23 0.675 -15.673 0.705 1.00 0.00 C ATOM 360 C GLN A 23 2.197 -15.561 0.770 1.00 0.00 C ATOM 361 O GLN A 23 2.760 -14.500 0.504 1.00 0.00 O ATOM 362 CB GLN A 23 0.232 -15.898 -0.741 1.00 0.00 C ATOM 363 CG GLN A 23 -1.278 -15.925 -0.916 1.00 0.00 C ATOM 364 CD GLN A 23 -1.698 -15.847 -2.370 1.00 0.00 C ATOM 365 OE1 GLN A 23 -1.692 -16.850 -3.086 1.00 0.00 O ATOM 366 NE2 GLN A 23 -2.065 -14.652 -2.817 1.00 0.00 N ATOM 0 H GLN A 23 0.355 -13.603 0.856 1.00 0.00 H new ATOM 0 HA GLN A 23 0.372 -16.525 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.648 -15.109 -1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.648 -16.840 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.675 -16.840 -0.476 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.718 -15.091 -0.369 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -2.055 -13.848 -2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -2.357 -14.538 -3.788 1.00 0.00 H new ATOM 587 N ASN A 38 9.863 -13.871 8.782 1.00 0.00 N ATOM 588 CA ASN A 38 8.668 -13.041 8.692 1.00 0.00 C ATOM 589 C ASN A 38 7.515 -13.808 8.052 1.00 0.00 C ATOM 590 O ASN A 38 6.677 -13.225 7.364 1.00 0.00 O ATOM 591 CB ASN A 38 8.962 -11.773 7.887 1.00 0.00 C ATOM 592 CG ASN A 38 10.055 -10.929 8.513 1.00 0.00 C ATOM 593 OD1 ASN A 38 9.904 -10.422 9.624 1.00 0.00 O ATOM 594 ND2 ASN A 38 11.164 -10.776 7.801 1.00 0.00 N ATOM 0 HA ASN A 38 8.375 -12.762 9.704 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.256 -12.049 6.874 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.051 -11.180 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.935 -10.220 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.246 -11.215 6.884 1.00 0.00 H new ATOM 601 N GLU A 39 7.477 -15.117 8.283 1.00 0.00 N ATOM 602 CA GLU A 39 6.422 -15.956 7.728 1.00 0.00 C ATOM 603 C GLU A 39 5.745 -16.780 8.821 1.00 0.00 C ATOM 604 O GLU A 39 5.225 -17.865 8.564 1.00 0.00 O ATOM 605 CB GLU A 39 6.984 -16.876 6.644 1.00 0.00 C ATOM 606 CG GLU A 39 5.913 -17.588 5.835 1.00 0.00 C ATOM 607 CD GLU A 39 6.084 -19.095 5.832 1.00 0.00 C ATOM 608 OE1 GLU A 39 6.365 -19.658 4.754 1.00 0.00 O ATOM 609 OE2 GLU A 39 5.937 -19.712 6.910 1.00 0.00 O ATOM 0 H GLU A 39 8.162 -15.618 8.849 1.00 0.00 H new ATOM 0 HA GLU A 39 5.673 -15.302 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.608 -16.290 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.630 -17.620 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.932 -17.339 6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.936 -17.222 4.808 1.00 0.00 H new ATOM 616 N GLN A 40 5.744 -16.244 10.035 1.00 0.00 N ATOM 617 CA GLN A 40 5.120 -16.910 11.173 1.00 0.00 C ATOM 618 C GLN A 40 3.868 -16.150 11.596 1.00 0.00 C ATOM 619 O GLN A 40 2.848 -16.744 11.946 1.00 0.00 O ATOM 620 CB GLN A 40 6.102 -17.002 12.344 1.00 0.00 C ATOM 621 CG GLN A 40 7.107 -18.136 12.203 1.00 0.00 C ATOM 622 CD GLN A 40 8.140 -18.138 13.315 1.00 0.00 C ATOM 623 OE1 GLN A 40 7.847 -18.517 14.449 1.00 0.00 O ATOM 624 NE2 GLN A 40 9.357 -17.714 12.993 1.00 0.00 N ATOM 0 H GLN A 40 6.171 -15.345 10.258 1.00 0.00 H new ATOM 0 HA GLN A 40 4.840 -17.921 10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.640 -16.058 12.432 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.541 -17.136 13.269 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.577 -19.089 12.202 1.00 0.00 H new ATOM 0 HG3 GLN A 40 7.613 -18.051 11.241 1.00 0.00 H new ATOM 0 HE21 GLN A 40 9.555 -17.409 12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.093 -17.694 13.699 1.00 0.00 H new ATOM 633 N ILE A 41 3.958 -14.826 11.534 1.00 0.00 N ATOM 634 CA ILE A 41 2.849 -13.946 11.883 1.00 0.00 C ATOM 635 C ILE A 41 1.573 -14.360 11.137 1.00 0.00 C ATOM 636 O ILE A 41 1.626 -14.763 9.976 1.00 0.00 O ATOM 637 CB ILE A 41 3.222 -12.484 11.549 1.00 0.00 C ATOM 638 CG1 ILE A 41 3.720 -11.767 12.805 1.00 0.00 C ATOM 639 CG2 ILE A 41 2.056 -11.736 10.925 1.00 0.00 C ATOM 640 CD1 ILE A 41 4.293 -10.394 12.532 1.00 0.00 C ATOM 0 H ILE A 41 4.801 -14.333 11.241 1.00 0.00 H new ATOM 0 HA ILE A 41 2.655 -14.029 12.952 1.00 0.00 H new ATOM 0 HB ILE A 41 4.025 -12.502 10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.895 -11.673 13.511 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.482 -12.381 13.285 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.357 -10.712 10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.757 -12.233 10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.217 -11.726 11.620 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.626 -9.946 13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.139 -10.482 11.851 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.527 -9.764 12.080 1.00 0.00 H new ATOM 652 N THR A 42 0.435 -14.260 11.818 1.00 0.00 N ATOM 653 CA THR A 42 -0.852 -14.626 11.229 1.00 0.00 C ATOM 654 C THR A 42 -1.567 -13.394 10.685 1.00 0.00 C ATOM 655 O THR A 42 -1.376 -12.290 11.191 1.00 0.00 O ATOM 656 CB THR A 42 -1.748 -15.300 12.280 1.00 0.00 C ATOM 657 OG1 THR A 42 -3.063 -15.464 11.790 1.00 0.00 O ATOM 658 CG2 THR A 42 -1.841 -14.525 13.576 1.00 0.00 C ATOM 0 H THR A 42 0.377 -13.928 12.781 1.00 0.00 H new ATOM 0 HA THR A 42 -0.660 -15.320 10.411 1.00 0.00 H new ATOM 0 HB THR A 42 -1.276 -16.262 12.481 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.620 -15.882 12.480 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.489 -15.057 14.273 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.847 -14.423 14.011 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.255 -13.536 13.380 1.00 0.00 H new ATOM 666 N PRO A 43 -2.428 -13.562 9.658 1.00 0.00 N ATOM 667 CA PRO A 43 -3.184 -12.443 9.091 1.00 0.00 C ATOM 668 C PRO A 43 -3.805 -11.598 10.197 1.00 0.00 C ATOM 669 O PRO A 43 -3.985 -10.391 10.053 1.00 0.00 O ATOM 670 CB PRO A 43 -4.263 -13.137 8.260 1.00 0.00 C ATOM 671 CG PRO A 43 -3.650 -14.435 7.859 1.00 0.00 C ATOM 672 CD PRO A 43 -2.748 -14.842 8.997 1.00 0.00 C ATOM 0 HA PRO A 43 -2.569 -11.760 8.505 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.173 -13.291 8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.537 -12.542 7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.417 -15.189 7.681 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.085 -14.329 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.247 -15.531 9.678 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.850 -15.344 8.637 1.00 0.00 H new ATOM 680 N VAL A 44 -4.091 -12.260 11.315 1.00 0.00 N ATOM 681 CA VAL A 44 -4.654 -11.623 12.497 1.00 0.00 C ATOM 682 C VAL A 44 -3.737 -10.524 12.997 1.00 0.00 C ATOM 683 O VAL A 44 -4.188 -9.463 13.410 1.00 0.00 O ATOM 684 CB VAL A 44 -4.805 -12.655 13.613 1.00 0.00 C ATOM 685 CG1 VAL A 44 -5.416 -12.049 14.858 1.00 0.00 C ATOM 686 CG2 VAL A 44 -5.599 -13.858 13.138 1.00 0.00 C ATOM 0 H VAL A 44 -3.936 -13.262 11.425 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.622 -11.202 12.227 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.805 -12.997 13.880 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.507 -12.815 15.628 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.778 -11.243 15.221 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.404 -11.652 14.623 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.692 -14.577 13.952 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.592 -13.537 12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.085 -14.325 12.298 1.00 0.00 H new ATOM 696 N ILE A 45 -2.440 -10.797 12.958 1.00 0.00 N ATOM 697 CA ILE A 45 -1.441 -9.839 13.401 1.00 0.00 C ATOM 698 C ILE A 45 -1.579 -8.552 12.615 1.00 0.00 C ATOM 699 O ILE A 45 -1.603 -7.458 13.178 1.00 0.00 O ATOM 700 CB ILE A 45 -0.018 -10.394 13.226 1.00 0.00 C ATOM 701 CG1 ILE A 45 0.081 -11.810 13.787 1.00 0.00 C ATOM 702 CG2 ILE A 45 1.011 -9.488 13.883 1.00 0.00 C ATOM 703 CD1 ILE A 45 -0.153 -11.897 15.273 1.00 0.00 C ATOM 0 H ILE A 45 -2.055 -11.680 12.622 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.607 -9.646 14.461 1.00 0.00 H new ATOM 0 HB ILE A 45 0.197 -10.428 12.158 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.645 -12.444 13.277 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.069 -12.211 13.561 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.007 -9.907 13.742 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.966 -8.498 13.429 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.798 -9.409 14.949 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.066 -12.935 15.595 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.589 -11.292 15.794 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.152 -11.528 15.506 1.00 0.00 H new ATOM 715 N PHE A 46 -1.708 -8.700 11.307 1.00 0.00 N ATOM 716 CA PHE A 46 -1.888 -7.563 10.433 1.00 0.00 C ATOM 717 C PHE A 46 -3.313 -7.052 10.563 1.00 0.00 C ATOM 718 O PHE A 46 -3.555 -5.847 10.560 1.00 0.00 O ATOM 719 CB PHE A 46 -1.618 -7.948 8.982 1.00 0.00 C ATOM 720 CG PHE A 46 -0.277 -8.585 8.757 1.00 0.00 C ATOM 721 CD1 PHE A 46 -0.162 -9.957 8.616 1.00 0.00 C ATOM 722 CD2 PHE A 46 0.863 -7.807 8.672 1.00 0.00 C ATOM 723 CE1 PHE A 46 1.064 -10.541 8.387 1.00 0.00 C ATOM 724 CE2 PHE A 46 2.095 -8.388 8.449 1.00 0.00 C ATOM 725 CZ PHE A 46 2.195 -9.757 8.307 1.00 0.00 C ATOM 0 H PHE A 46 -1.691 -9.601 10.830 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.183 -6.784 10.722 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.395 -8.635 8.649 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.694 -7.056 8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.044 -10.577 8.686 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.789 -6.735 8.781 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.139 -11.612 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.980 -7.772 8.386 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.158 -10.214 8.133 1.00 0.00 H new ATOM 735 N HIS A 47 -4.252 -7.987 10.691 1.00 0.00 N ATOM 736 CA HIS A 47 -5.657 -7.636 10.825 1.00 0.00 C ATOM 737 C HIS A 47 -5.880 -6.844 12.106 1.00 0.00 C ATOM 738 O HIS A 47 -6.761 -5.990 12.175 1.00 0.00 O ATOM 739 CB HIS A 47 -6.524 -8.909 10.787 1.00 0.00 C ATOM 740 CG HIS A 47 -7.616 -8.959 11.813 1.00 0.00 C ATOM 741 ND1 HIS A 47 -8.952 -9.069 11.493 1.00 0.00 N ATOM 742 CD2 HIS A 47 -7.555 -8.923 13.161 1.00 0.00 C ATOM 743 CE1 HIS A 47 -9.668 -9.096 12.605 1.00 0.00 C ATOM 744 NE2 HIS A 47 -8.842 -9.011 13.632 1.00 0.00 N ATOM 0 H HIS A 47 -4.063 -8.989 10.704 1.00 0.00 H new ATOM 0 HA HIS A 47 -5.954 -7.004 9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.971 -8.997 9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -5.877 -9.776 10.923 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.659 -8.840 13.759 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.744 -9.174 12.663 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -9.115 -9.011 14.615 1.00 0.00 H new ATOM 753 N ASN A 48 -5.059 -7.118 13.113 1.00 0.00 N ATOM 754 CA ASN A 48 -5.160 -6.418 14.383 1.00 0.00 C ATOM 755 C ASN A 48 -4.328 -5.151 14.327 1.00 0.00 C ATOM 756 O ASN A 48 -4.641 -4.161 14.979 1.00 0.00 O ATOM 757 CB ASN A 48 -4.701 -7.309 15.541 1.00 0.00 C ATOM 758 CG ASN A 48 -5.867 -7.899 16.312 1.00 0.00 C ATOM 759 OD1 ASN A 48 -6.472 -7.231 17.151 1.00 0.00 O ATOM 760 ND2 ASN A 48 -6.186 -9.155 16.030 1.00 0.00 N ATOM 0 H ASN A 48 -4.319 -7.818 13.073 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.204 -6.159 14.559 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.081 -8.116 15.151 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.077 -6.727 16.219 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.961 -9.606 16.516 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.656 -9.670 15.327 1.00 0.00 H new ATOM 767 N LEU A 49 -3.284 -5.179 13.507 1.00 0.00 N ATOM 768 CA LEU A 49 -2.439 -4.013 13.319 1.00 0.00 C ATOM 769 C LEU A 49 -3.288 -2.937 12.687 1.00 0.00 C ATOM 770 O LEU A 49 -3.532 -1.878 13.257 1.00 0.00 O ATOM 771 CB LEU A 49 -1.278 -4.359 12.389 1.00 0.00 C ATOM 772 CG LEU A 49 0.030 -4.696 13.087 1.00 0.00 C ATOM 773 CD1 LEU A 49 1.158 -4.770 12.073 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.324 -3.661 14.154 1.00 0.00 C ATOM 0 H LEU A 49 -3.005 -5.996 12.964 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.031 -3.677 14.272 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.570 -5.207 11.769 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.107 -3.517 11.718 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.057 -5.670 13.568 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.090 -5.012 12.583 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.936 -5.543 11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.259 -3.808 11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.262 -3.907 14.651 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.405 -2.676 13.693 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.483 -3.654 14.886 1.00 0.00 H new ATOM 786 N ILE A 50 -3.771 -3.274 11.509 1.00 0.00 N ATOM 787 CA ILE A 50 -4.657 -2.415 10.741 1.00 0.00 C ATOM 788 C ILE A 50 -5.791 -1.910 11.627 1.00 0.00 C ATOM 789 O ILE A 50 -5.970 -0.713 11.831 1.00 0.00 O ATOM 790 CB ILE A 50 -5.303 -3.207 9.586 1.00 0.00 C ATOM 791 CG1 ILE A 50 -4.260 -3.926 8.743 1.00 0.00 C ATOM 792 CG2 ILE A 50 -6.166 -2.312 8.712 1.00 0.00 C ATOM 793 CD1 ILE A 50 -4.746 -5.278 8.272 1.00 0.00 C ATOM 0 H ILE A 50 -3.559 -4.160 11.051 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.064 -1.586 10.355 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.945 -3.961 10.041 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.005 -3.311 7.880 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.347 -4.052 9.325 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.606 -2.903 7.908 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.960 -1.871 9.315 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.552 -1.519 8.285 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.970 -5.756 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.975 -5.903 9.135 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.644 -5.151 7.667 1.00 0.00 H new ATOM 805 N MET A 51 -6.557 -2.870 12.124 1.00 0.00 N ATOM 806 CA MET A 51 -7.711 -2.623 12.973 1.00 0.00 C ATOM 807 C MET A 51 -7.370 -1.827 14.239 1.00 0.00 C ATOM 808 O MET A 51 -8.141 -0.965 14.659 1.00 0.00 O ATOM 809 CB MET A 51 -8.318 -3.976 13.348 1.00 0.00 C ATOM 810 CG MET A 51 -9.768 -3.899 13.798 1.00 0.00 C ATOM 811 SD MET A 51 -10.776 -5.253 13.156 1.00 0.00 S ATOM 812 CE MET A 51 -10.098 -5.437 11.507 1.00 0.00 C ATOM 0 H MET A 51 -6.390 -3.860 11.945 1.00 0.00 H new ATOM 0 HA MET A 51 -8.420 -2.010 12.416 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.250 -4.644 12.489 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.724 -4.421 14.146 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.806 -3.909 14.887 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.194 -2.950 13.473 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.829 -5.929 10.866 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.861 -4.454 11.099 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.191 -6.040 11.552 1.00 0.00 H new ATOM 822 N ASP A 52 -6.240 -2.142 14.863 1.00 0.00 N ATOM 823 CA ASP A 52 -5.838 -1.473 16.104 1.00 0.00 C ATOM 824 C ASP A 52 -4.963 -0.237 15.875 1.00 0.00 C ATOM 825 O ASP A 52 -4.765 0.560 16.795 1.00 0.00 O ATOM 826 CB ASP A 52 -5.101 -2.457 17.015 1.00 0.00 C ATOM 827 CG ASP A 52 -5.201 -2.076 18.479 1.00 0.00 C ATOM 828 OD1 ASP A 52 -5.041 -0.878 18.794 1.00 0.00 O ATOM 829 OD2 ASP A 52 -5.438 -2.976 19.313 1.00 0.00 O ATOM 0 H ASP A 52 -5.586 -2.853 14.535 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.757 -1.128 16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.512 -3.456 16.874 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.051 -2.500 16.725 1.00 0.00 H new ATOM 834 N MET A 53 -4.415 -0.078 14.676 1.00 0.00 N ATOM 835 CA MET A 53 -3.542 1.063 14.393 1.00 0.00 C ATOM 836 C MET A 53 -4.023 1.879 13.195 1.00 0.00 C ATOM 837 O MET A 53 -4.237 3.087 13.302 1.00 0.00 O ATOM 838 CB MET A 53 -2.113 0.581 14.141 1.00 0.00 C ATOM 839 CG MET A 53 -1.450 -0.030 15.364 1.00 0.00 C ATOM 840 SD MET A 53 -0.986 1.205 16.592 1.00 0.00 S ATOM 841 CE MET A 53 0.511 1.863 15.860 1.00 0.00 C ATOM 0 H MET A 53 -4.555 -0.714 13.891 1.00 0.00 H new ATOM 0 HA MET A 53 -3.569 1.712 15.269 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.124 -0.156 13.338 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.511 1.421 13.794 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.129 -0.751 15.818 1.00 0.00 H new ATOM 0 HG3 MET A 53 -0.562 -0.580 15.054 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.802 2.774 16.383 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.310 1.126 15.942 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.333 2.090 14.809 1.00 0.00 H new ATOM 851 N VAL A 54 -4.171 1.217 12.058 1.00 0.00 N ATOM 852 CA VAL A 54 -4.604 1.881 10.832 1.00 0.00 C ATOM 853 C VAL A 54 -6.025 2.434 10.944 1.00 0.00 C ATOM 854 O VAL A 54 -6.250 3.631 10.774 1.00 0.00 O ATOM 855 CB VAL A 54 -4.536 0.915 9.634 1.00 0.00 C ATOM 856 CG1 VAL A 54 -5.140 1.542 8.387 1.00 0.00 C ATOM 857 CG2 VAL A 54 -3.099 0.484 9.380 1.00 0.00 C ATOM 0 H VAL A 54 -3.998 0.217 11.956 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.921 2.716 10.675 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.124 0.031 9.879 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.078 0.837 7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.185 1.790 8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.591 2.449 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.069 -0.198 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.489 1.361 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.709 -0.020 10.264 1.00 0.00 H new ATOM 867 N LEU A 55 -6.979 1.547 11.193 1.00 0.00 N ATOM 868 CA LEU A 55 -8.383 1.930 11.288 1.00 0.00 C ATOM 869 C LEU A 55 -8.610 3.086 12.259 1.00 0.00 C ATOM 870 O LEU A 55 -9.258 4.074 11.911 1.00 0.00 O ATOM 871 CB LEU A 55 -9.226 0.723 11.674 1.00 0.00 C ATOM 872 CG LEU A 55 -9.508 -0.249 10.527 1.00 0.00 C ATOM 873 CD1 LEU A 55 -10.844 0.056 9.883 1.00 0.00 C ATOM 874 CD2 LEU A 55 -8.398 -0.214 9.483 1.00 0.00 C ATOM 0 H LEU A 55 -6.806 0.552 11.334 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.693 2.286 10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.719 0.183 12.474 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.176 1.074 12.078 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.543 -1.254 10.948 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.025 -0.647 9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.636 -0.037 10.626 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.834 1.072 9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.630 -0.916 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.317 0.792 9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.452 -0.493 9.948 1.00 0.00 H new ATOM 886 N PRO A 56 -8.080 2.995 13.490 1.00 0.00 N ATOM 887 CA PRO A 56 -8.235 4.053 14.491 1.00 0.00 C ATOM 888 C PRO A 56 -7.592 5.370 14.058 1.00 0.00 C ATOM 889 O PRO A 56 -7.681 6.370 14.771 1.00 0.00 O ATOM 890 CB PRO A 56 -7.523 3.497 15.731 1.00 0.00 C ATOM 891 CG PRO A 56 -7.413 2.031 15.492 1.00 0.00 C ATOM 892 CD PRO A 56 -7.292 1.867 14.005 1.00 0.00 C ATOM 0 HA PRO A 56 -9.286 4.289 14.659 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.540 3.950 15.857 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.090 3.707 16.638 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.545 1.616 16.003 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.289 1.506 15.873 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.254 1.914 13.676 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.689 0.909 13.670 1.00 0.00 H new ATOM 900 N LYS A 57 -6.952 5.376 12.887 1.00 0.00 N ATOM 901 CA LYS A 57 -6.311 6.584 12.382 1.00 0.00 C ATOM 902 C LYS A 57 -6.387 6.626 10.863 1.00 0.00 C ATOM 903 O LYS A 57 -5.584 7.288 10.206 1.00 0.00 O ATOM 904 CB LYS A 57 -4.854 6.648 12.839 1.00 0.00 C ATOM 905 CG LYS A 57 -4.289 8.059 12.873 1.00 0.00 C ATOM 906 CD LYS A 57 -4.966 8.905 13.942 1.00 0.00 C ATOM 907 CE LYS A 57 -4.090 9.058 15.174 1.00 0.00 C ATOM 908 NZ LYS A 57 -4.760 8.545 16.401 1.00 0.00 N ATOM 0 H LYS A 57 -6.866 4.563 12.277 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.839 7.449 12.784 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.774 6.209 13.834 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.245 6.038 12.172 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.217 8.018 13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.421 8.529 11.898 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.197 9.889 13.535 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.914 8.446 14.224 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.153 8.522 15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.838 10.109 15.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.129 8.668 17.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.642 9.073 16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.978 7.535 16.281 1.00 0.00 H new ATOM 922 N VAL A 58 -7.361 5.911 10.312 1.00 0.00 N ATOM 923 CA VAL A 58 -7.551 5.858 8.874 1.00 0.00 C ATOM 924 C VAL A 58 -8.255 7.108 8.373 1.00 0.00 C ATOM 925 O VAL A 58 -8.842 7.860 9.150 1.00 0.00 O ATOM 926 CB VAL A 58 -8.372 4.614 8.465 1.00 0.00 C ATOM 927 CG1 VAL A 58 -9.857 4.835 8.709 1.00 0.00 C ATOM 928 CG2 VAL A 58 -8.125 4.253 7.008 1.00 0.00 C ATOM 0 H VAL A 58 -8.032 5.359 10.845 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.562 5.796 8.420 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.042 3.782 9.087 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.411 3.944 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.026 5.032 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.199 5.687 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.714 3.374 6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.416 5.089 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.067 4.037 6.861 1.00 0.00 H new ATOM 938 N VAL A 59 -8.202 7.310 7.072 1.00 0.00 N ATOM 939 CA VAL A 59 -8.841 8.451 6.452 1.00 0.00 C ATOM 940 C VAL A 59 -9.331 8.079 5.064 1.00 0.00 C ATOM 941 O VAL A 59 -8.714 7.259 4.382 1.00 0.00 O ATOM 942 CB VAL A 59 -7.884 9.652 6.349 1.00 0.00 C ATOM 943 CG1 VAL A 59 -7.507 10.157 7.734 1.00 0.00 C ATOM 944 CG2 VAL A 59 -6.642 9.280 5.552 1.00 0.00 C ATOM 0 H VAL A 59 -7.719 6.693 6.420 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.683 8.739 7.081 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.397 10.457 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.830 11.006 7.640 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.407 10.467 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.014 9.360 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.978 10.142 5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.125 8.458 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.933 8.973 4.547 1.00 0.00 H new ATOM 1052 N VAL A 66 -4.161 4.969 -0.718 1.00 0.00 N ATOM 1053 CA VAL A 66 -3.123 4.029 -0.293 1.00 0.00 C ATOM 1054 C VAL A 66 -2.060 4.739 0.541 1.00 0.00 C ATOM 1055 O VAL A 66 -0.863 4.618 0.278 1.00 0.00 O ATOM 1056 CB VAL A 66 -2.440 3.370 -1.504 1.00 0.00 C ATOM 1057 CG1 VAL A 66 -1.678 2.121 -1.088 1.00 0.00 C ATOM 1058 CG2 VAL A 66 -3.459 3.052 -2.589 1.00 0.00 C ATOM 0 HA VAL A 66 -3.610 3.261 0.308 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.719 4.078 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.205 1.675 -1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.913 2.387 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.369 1.404 -0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.955 2.587 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.210 2.368 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.942 3.973 -2.915 1.00 0.00 H new ATOM 1068 N THR A 67 -2.506 5.493 1.541 1.00 0.00 N ATOM 1069 CA THR A 67 -1.594 6.237 2.401 1.00 0.00 C ATOM 1070 C THR A 67 -0.935 5.328 3.434 1.00 0.00 C ATOM 1071 O THR A 67 -1.610 4.584 4.144 1.00 0.00 O ATOM 1072 CB THR A 67 -2.338 7.368 3.103 1.00 0.00 C ATOM 1073 OG1 THR A 67 -2.914 8.253 2.158 1.00 0.00 O ATOM 1074 CG2 THR A 67 -1.458 8.188 4.024 1.00 0.00 C ATOM 0 H THR A 67 -3.492 5.604 1.775 1.00 0.00 H new ATOM 0 HA THR A 67 -0.810 6.657 1.771 1.00 0.00 H new ATOM 0 HB THR A 67 -3.104 6.877 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.388 8.970 2.628 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.052 8.974 4.490 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.040 7.543 4.797 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.648 8.637 3.449 1.00 0.00 H new ATOM 1082 N LYS A 68 0.390 5.406 3.519 1.00 0.00 N ATOM 1083 CA LYS A 68 1.143 4.600 4.473 1.00 0.00 C ATOM 1084 C LYS A 68 1.071 5.222 5.862 1.00 0.00 C ATOM 1085 O LYS A 68 1.297 6.420 6.028 1.00 0.00 O ATOM 1086 CB LYS A 68 2.601 4.467 4.034 1.00 0.00 C ATOM 1087 CG LYS A 68 3.239 3.144 4.430 1.00 0.00 C ATOM 1088 CD LYS A 68 4.753 3.196 4.304 1.00 0.00 C ATOM 1089 CE LYS A 68 5.426 2.224 5.259 1.00 0.00 C ATOM 1090 NZ LYS A 68 5.651 2.832 6.602 1.00 0.00 N ATOM 0 H LYS A 68 0.963 6.019 2.939 1.00 0.00 H new ATOM 0 HA LYS A 68 0.699 3.605 4.507 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.657 4.578 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.178 5.283 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.966 2.900 5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.847 2.347 3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.042 2.960 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.101 4.208 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.809 1.331 5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.380 1.905 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.112 2.138 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.260 3.669 6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.738 3.113 7.013 1.00 0.00 H new ATOM 1104 N MET A 69 0.749 4.402 6.858 1.00 0.00 N ATOM 1105 CA MET A 69 0.643 4.881 8.231 1.00 0.00 C ATOM 1106 C MET A 69 1.942 5.539 8.687 1.00 0.00 C ATOM 1107 O MET A 69 1.932 6.444 9.520 1.00 0.00 O ATOM 1108 CB MET A 69 0.286 3.731 9.171 1.00 0.00 C ATOM 1109 CG MET A 69 0.125 4.163 10.618 1.00 0.00 C ATOM 1110 SD MET A 69 -1.100 5.469 10.820 1.00 0.00 S ATOM 1111 CE MET A 69 -2.488 4.527 11.445 1.00 0.00 C ATOM 0 H MET A 69 0.558 3.407 6.740 1.00 0.00 H new ATOM 0 HA MET A 69 -0.150 5.628 8.263 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.641 3.269 8.832 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.062 2.968 9.111 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.165 3.302 11.220 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.086 4.509 10.999 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.377 4.754 10.856 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.267 3.462 11.373 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.667 4.790 12.487 1.00 0.00 H new ATOM 1121 N SER A 70 3.059 5.075 8.137 1.00 0.00 N ATOM 1122 CA SER A 70 4.368 5.615 8.488 1.00 0.00 C ATOM 1123 C SER A 70 4.610 5.519 9.991 1.00 0.00 C ATOM 1124 O SER A 70 5.339 6.324 10.568 1.00 0.00 O ATOM 1125 CB SER A 70 4.484 7.070 8.031 1.00 0.00 C ATOM 1126 OG SER A 70 4.903 7.149 6.681 1.00 0.00 O ATOM 0 H SER A 70 3.084 4.325 7.446 1.00 0.00 H new ATOM 0 HA SER A 70 5.127 5.022 7.978 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.521 7.568 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.194 7.598 8.667 1.00 0.00 H new ATOM 0 HG SER A 70 4.968 8.089 6.413 1.00 0.00 H new ATOM 1132 N MET A 71 3.991 4.524 10.613 1.00 0.00 N ATOM 1133 CA MET A 71 4.135 4.308 12.051 1.00 0.00 C ATOM 1134 C MET A 71 4.973 3.064 12.337 1.00 0.00 C ATOM 1135 O MET A 71 5.370 2.825 13.479 1.00 0.00 O ATOM 1136 CB MET A 71 2.756 4.174 12.704 1.00 0.00 C ATOM 1137 CG MET A 71 2.805 3.803 14.179 1.00 0.00 C ATOM 1138 SD MET A 71 3.714 5.007 15.167 1.00 0.00 S ATOM 1139 CE MET A 71 2.400 6.134 15.624 1.00 0.00 C ATOM 0 H MET A 71 3.383 3.852 10.145 1.00 0.00 H new ATOM 0 HA MET A 71 4.650 5.170 12.475 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.220 5.117 12.594 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.183 3.417 12.168 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.788 3.717 14.562 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.270 2.823 14.288 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.807 6.936 16.239 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.954 6.557 14.724 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.638 5.595 16.187 1.00 0.00 H new ATOM 1149 N ASN A 72 5.238 2.271 11.301 1.00 0.00 N ATOM 1150 CA ASN A 72 6.023 1.053 11.456 1.00 0.00 C ATOM 1151 C ASN A 72 5.300 0.066 12.366 1.00 0.00 C ATOM 1152 O ASN A 72 5.819 -0.335 13.406 1.00 0.00 O ATOM 1153 CB ASN A 72 7.406 1.381 12.024 1.00 0.00 C ATOM 1154 CG ASN A 72 8.500 0.524 11.417 1.00 0.00 C ATOM 1155 OD1 ASN A 72 9.569 1.019 11.065 1.00 0.00 O ATOM 1156 ND2 ASN A 72 8.235 -0.772 11.289 1.00 0.00 N ATOM 0 H ASN A 72 4.921 2.451 10.348 1.00 0.00 H new ATOM 0 HA ASN A 72 6.147 0.594 10.475 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.630 2.432 11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.395 1.239 13.105 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.932 -1.398 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.334 -1.141 11.594 1.00 0.00 H new ATOM 1163 N LEU A 73 4.091 -0.319 11.963 1.00 0.00 N ATOM 1164 CA LEU A 73 3.290 -1.258 12.737 1.00 0.00 C ATOM 1165 C LEU A 73 4.021 -2.582 12.903 1.00 0.00 C ATOM 1166 O LEU A 73 4.145 -3.105 14.011 1.00 0.00 O ATOM 1167 CB LEU A 73 1.944 -1.486 12.053 1.00 0.00 C ATOM 1168 CG LEU A 73 0.947 -0.335 12.186 1.00 0.00 C ATOM 1169 CD1 LEU A 73 1.438 0.889 11.431 1.00 0.00 C ATOM 1170 CD2 LEU A 73 -0.419 -0.760 11.677 1.00 0.00 C ATOM 0 H LEU A 73 3.647 0.006 11.104 1.00 0.00 H new ATOM 0 HA LEU A 73 3.121 -0.832 13.726 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.119 -1.674 10.994 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.492 -2.388 12.466 1.00 0.00 H new ATOM 0 HG LEU A 73 0.860 -0.074 13.241 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.714 1.697 11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.399 1.206 11.837 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.554 0.643 10.375 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.119 0.069 11.778 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.344 -1.046 10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.776 -1.609 12.260 1.00 0.00 H new ATOM 1182 N ILE A 74 4.502 -3.114 11.790 1.00 0.00 N ATOM 1183 CA ILE A 74 5.225 -4.377 11.791 1.00 0.00 C ATOM 1184 C ILE A 74 6.555 -4.236 11.058 1.00 0.00 C ATOM 1185 O ILE A 74 6.710 -3.374 10.192 1.00 0.00 O ATOM 1186 CB ILE A 74 4.378 -5.506 11.147 1.00 0.00 C ATOM 1187 CG1 ILE A 74 3.863 -6.464 12.223 1.00 0.00 C ATOM 1188 CG2 ILE A 74 5.169 -6.272 10.092 1.00 0.00 C ATOM 1189 CD1 ILE A 74 3.128 -7.663 11.663 1.00 0.00 C ATOM 0 H ILE A 74 4.404 -2.688 10.869 1.00 0.00 H new ATOM 0 HA ILE A 74 5.423 -4.646 12.829 1.00 0.00 H new ATOM 0 HB ILE A 74 3.528 -5.038 10.649 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.705 -6.811 12.822 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.197 -5.921 12.894 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.542 -7.054 9.664 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.483 -5.587 9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.048 -6.723 10.553 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.791 -8.299 12.482 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.266 -7.325 11.088 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.797 -8.230 11.015 1.00 0.00 H new ATOM 1201 N ASP A 75 7.506 -5.093 11.403 1.00 0.00 N ATOM 1202 CA ASP A 75 8.815 -5.068 10.770 1.00 0.00 C ATOM 1203 C ASP A 75 8.882 -6.092 9.646 1.00 0.00 C ATOM 1204 O ASP A 75 8.357 -7.199 9.766 1.00 0.00 O ATOM 1205 CB ASP A 75 9.910 -5.345 11.798 1.00 0.00 C ATOM 1206 CG ASP A 75 11.281 -4.919 11.311 1.00 0.00 C ATOM 1207 OD1 ASP A 75 11.854 -5.625 10.456 1.00 0.00 O ATOM 1208 OD2 ASP A 75 11.782 -3.877 11.786 1.00 0.00 O ATOM 0 H ASP A 75 7.395 -5.813 12.117 1.00 0.00 H new ATOM 0 HA ASP A 75 8.974 -4.075 10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.677 -4.819 12.724 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.925 -6.410 12.031 1.00 0.00 H new ATOM 1213 N GLY A 76 9.526 -5.710 8.553 1.00 0.00 N ATOM 1214 CA GLY A 76 9.647 -6.599 7.417 1.00 0.00 C ATOM 1215 C GLY A 76 8.795 -6.156 6.244 1.00 0.00 C ATOM 1216 O GLY A 76 9.166 -6.367 5.089 1.00 0.00 O ATOM 0 H GLY A 76 9.968 -4.798 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.691 -6.648 7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.356 -7.606 7.715 1.00 0.00 H new ATOM 1220 N PHE A 77 7.651 -5.539 6.535 1.00 0.00 N ATOM 1221 CA PHE A 77 6.755 -5.072 5.479 1.00 0.00 C ATOM 1222 C PHE A 77 6.275 -3.645 5.750 1.00 0.00 C ATOM 1223 O PHE A 77 6.452 -3.117 6.847 1.00 0.00 O ATOM 1224 CB PHE A 77 5.549 -6.012 5.335 1.00 0.00 C ATOM 1225 CG PHE A 77 5.694 -7.321 6.063 1.00 0.00 C ATOM 1226 CD1 PHE A 77 5.090 -7.507 7.293 1.00 0.00 C ATOM 1227 CD2 PHE A 77 6.427 -8.360 5.516 1.00 0.00 C ATOM 1228 CE1 PHE A 77 5.211 -8.709 7.967 1.00 0.00 C ATOM 1229 CE2 PHE A 77 6.554 -9.564 6.184 1.00 0.00 C ATOM 1230 CZ PHE A 77 5.945 -9.739 7.413 1.00 0.00 C ATOM 0 H PHE A 77 7.325 -5.352 7.483 1.00 0.00 H new ATOM 0 HA PHE A 77 7.318 -5.073 4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.659 -5.501 5.703 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.385 -6.214 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.517 -6.704 7.733 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.905 -8.229 4.557 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.732 -8.842 8.926 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.128 -10.367 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.043 -10.678 7.938 1.00 0.00 H new ATOM 1240 N ASP A 78 5.660 -3.033 4.739 1.00 0.00 N ATOM 1241 CA ASP A 78 5.144 -1.672 4.859 1.00 0.00 C ATOM 1242 C ASP A 78 3.616 -1.684 4.905 1.00 0.00 C ATOM 1243 O ASP A 78 2.983 -2.530 4.275 1.00 0.00 O ATOM 1244 CB ASP A 78 5.630 -0.810 3.691 1.00 0.00 C ATOM 1245 CG ASP A 78 7.080 -0.396 3.843 1.00 0.00 C ATOM 1246 OD1 ASP A 78 7.583 -0.403 4.987 1.00 0.00 O ATOM 1247 OD2 ASP A 78 7.714 -0.067 2.819 1.00 0.00 O ATOM 0 H ASP A 78 5.507 -3.460 3.826 1.00 0.00 H new ATOM 0 HA ASP A 78 5.519 -1.243 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.509 -1.363 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.006 0.081 3.616 1.00 0.00 H new ATOM 1252 N CYS A 79 3.032 -0.763 5.675 1.00 0.00 N ATOM 1253 CA CYS A 79 1.574 -0.702 5.824 1.00 0.00 C ATOM 1254 C CYS A 79 0.949 0.518 5.140 1.00 0.00 C ATOM 1255 O CYS A 79 1.217 1.660 5.510 1.00 0.00 O ATOM 1256 CB CYS A 79 1.198 -0.695 7.310 1.00 0.00 C ATOM 1257 SG CYS A 79 2.344 -1.597 8.378 1.00 0.00 S ATOM 0 H CYS A 79 3.541 -0.053 6.202 1.00 0.00 H new ATOM 0 HA CYS A 79 1.176 -1.589 5.332 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.139 0.338 7.652 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.203 -1.125 7.422 1.00 0.00 H new ATOM 0 HG CYS A 79 2.356 -2.852 8.039 1.00 0.00 H new ATOM 1263 N PHE A 80 0.081 0.252 4.165 1.00 0.00 N ATOM 1264 CA PHE A 80 -0.630 1.303 3.436 1.00 0.00 C ATOM 1265 C PHE A 80 -2.136 1.050 3.485 1.00 0.00 C ATOM 1266 O PHE A 80 -2.582 -0.088 3.346 1.00 0.00 O ATOM 1267 CB PHE A 80 -0.175 1.355 1.974 1.00 0.00 C ATOM 1268 CG PHE A 80 1.312 1.448 1.796 1.00 0.00 C ATOM 1269 CD1 PHE A 80 1.916 2.667 1.530 1.00 0.00 C ATOM 1270 CD2 PHE A 80 2.106 0.317 1.884 1.00 0.00 C ATOM 1271 CE1 PHE A 80 3.284 2.755 1.358 1.00 0.00 C ATOM 1272 CE2 PHE A 80 3.475 0.399 1.712 1.00 0.00 C ATOM 1273 CZ PHE A 80 4.064 1.620 1.448 1.00 0.00 C ATOM 0 H PHE A 80 -0.149 -0.693 3.859 1.00 0.00 H new ATOM 0 HA PHE A 80 -0.402 2.257 3.912 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.536 0.464 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.642 2.213 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.310 3.558 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.650 -0.640 2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.743 3.711 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 80 4.083 -0.491 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.133 1.687 1.312 1.00 0.00 H new ATOM 1283 N TYR A 81 -2.921 2.110 3.673 1.00 0.00 N ATOM 1284 CA TYR A 81 -4.376 1.972 3.727 1.00 0.00 C ATOM 1285 C TYR A 81 -5.059 2.881 2.708 1.00 0.00 C ATOM 1286 O TYR A 81 -4.725 4.058 2.583 1.00 0.00 O ATOM 1287 CB TYR A 81 -4.905 2.266 5.135 1.00 0.00 C ATOM 1288 CG TYR A 81 -4.400 3.557 5.744 1.00 0.00 C ATOM 1289 CD1 TYR A 81 -5.110 4.745 5.599 1.00 0.00 C ATOM 1290 CD2 TYR A 81 -3.222 3.584 6.483 1.00 0.00 C ATOM 1291 CE1 TYR A 81 -4.658 5.918 6.170 1.00 0.00 C ATOM 1292 CE2 TYR A 81 -2.764 4.756 7.055 1.00 0.00 C ATOM 1293 CZ TYR A 81 -3.486 5.919 6.894 1.00 0.00 C ATOM 1294 OH TYR A 81 -3.034 7.088 7.464 1.00 0.00 O ATOM 0 H TYR A 81 -2.579 3.064 3.789 1.00 0.00 H new ATOM 0 HA TYR A 81 -4.613 0.938 3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -5.994 2.298 5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.632 1.439 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.029 4.750 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -2.655 2.674 6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.221 6.832 6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.846 4.760 7.624 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.195 6.916 7.941 1.00 0.00 H new ATOM 1304 N SER A 82 -6.019 2.314 1.981 1.00 0.00 N ATOM 1305 CA SER A 82 -6.760 3.058 0.967 1.00 0.00 C ATOM 1306 C SER A 82 -8.255 2.755 1.048 1.00 0.00 C ATOM 1307 O SER A 82 -8.674 1.616 0.849 1.00 0.00 O ATOM 1308 CB SER A 82 -6.244 2.706 -0.430 1.00 0.00 C ATOM 1309 OG SER A 82 -6.391 3.801 -1.318 1.00 0.00 O ATOM 0 H SER A 82 -6.302 1.339 2.076 1.00 0.00 H new ATOM 0 HA SER A 82 -6.608 4.121 1.154 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.194 2.419 -0.372 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.789 1.845 -0.816 1.00 0.00 H new ATOM 0 HG SER A 82 -5.810 4.536 -1.030 1.00 0.00 H new ATOM 1315 N THR A 83 -9.061 3.774 1.335 1.00 0.00 N ATOM 1316 CA THR A 83 -10.505 3.592 1.424 1.00 0.00 C ATOM 1317 C THR A 83 -11.133 3.558 0.037 1.00 0.00 C ATOM 1318 O THR A 83 -10.594 4.129 -0.911 1.00 0.00 O ATOM 1319 CB THR A 83 -11.145 4.701 2.257 1.00 0.00 C ATOM 1320 OG1 THR A 83 -11.185 5.914 1.525 1.00 0.00 O ATOM 1321 CG2 THR A 83 -10.425 4.967 3.559 1.00 0.00 C ATOM 0 H THR A 83 -8.741 4.727 1.509 1.00 0.00 H new ATOM 0 HA THR A 83 -10.688 2.637 1.916 1.00 0.00 H new ATOM 0 HB THR A 83 -12.149 4.347 2.489 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.599 6.613 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.933 5.766 4.099 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.424 4.062 4.166 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.397 5.266 3.352 1.00 0.00 H new ATOM 1329 N ASP A 84 -12.275 2.885 -0.077 1.00 0.00 N ATOM 1330 CA ASP A 84 -12.974 2.777 -1.354 1.00 0.00 C ATOM 1331 C ASP A 84 -13.174 4.147 -1.992 1.00 0.00 C ATOM 1332 O ASP A 84 -13.347 5.151 -1.301 1.00 0.00 O ATOM 1333 CB ASP A 84 -14.321 2.076 -1.168 1.00 0.00 C ATOM 1334 CG ASP A 84 -14.855 1.499 -2.465 1.00 0.00 C ATOM 1335 OD1 ASP A 84 -14.338 0.451 -2.904 1.00 0.00 O ATOM 1336 OD2 ASP A 84 -15.789 2.096 -3.039 1.00 0.00 O ATOM 0 H ASP A 84 -12.735 2.407 0.698 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.356 2.180 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.214 1.277 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.044 2.785 -0.764 1.00 0.00 H new ATOM 1341 N ASP A 85 -13.131 4.178 -3.318 1.00 0.00 N ATOM 1342 CA ASP A 85 -13.291 5.419 -4.071 1.00 0.00 C ATOM 1343 C ASP A 85 -14.587 6.146 -3.711 1.00 0.00 C ATOM 1344 O ASP A 85 -14.704 7.354 -3.924 1.00 0.00 O ATOM 1345 CB ASP A 85 -13.258 5.132 -5.572 1.00 0.00 C ATOM 1346 CG ASP A 85 -11.909 4.616 -6.034 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -11.455 5.032 -7.121 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -11.307 3.798 -5.308 1.00 0.00 O ATOM 0 H ASP A 85 -12.986 3.352 -3.899 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.460 6.071 -3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -14.027 4.399 -5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -13.502 6.043 -6.118 1.00 0.00 H new ATOM 1353 N HIS A 86 -15.560 5.413 -3.180 1.00 0.00 N ATOM 1354 CA HIS A 86 -16.841 6.011 -2.812 1.00 0.00 C ATOM 1355 C HIS A 86 -17.530 5.223 -1.700 1.00 0.00 C ATOM 1356 O HIS A 86 -18.751 5.285 -1.552 1.00 0.00 O ATOM 1357 CB HIS A 86 -17.756 6.084 -4.036 1.00 0.00 C ATOM 1358 CG HIS A 86 -18.164 4.738 -4.553 1.00 0.00 C ATOM 1359 ND1 HIS A 86 -17.675 3.556 -4.039 1.00 0.00 N ATOM 1360 CD2 HIS A 86 -19.022 4.388 -5.540 1.00 0.00 C ATOM 1361 CE1 HIS A 86 -18.211 2.539 -4.684 1.00 0.00 C ATOM 1362 NE2 HIS A 86 -19.033 3.015 -5.601 1.00 0.00 N ATOM 0 H HIS A 86 -15.489 4.412 -2.996 1.00 0.00 H new ATOM 0 HA HIS A 86 -16.644 7.017 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -18.650 6.653 -3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -17.247 6.631 -4.829 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -17.002 3.480 -3.277 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -19.591 5.062 -6.163 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -18.012 1.495 -4.495 1.00 0.00 H new ATOM 1371 N ASP A 87 -16.749 4.483 -0.924 1.00 0.00 N ATOM 1372 CA ASP A 87 -17.294 3.687 0.167 1.00 0.00 C ATOM 1373 C ASP A 87 -16.333 3.659 1.353 1.00 0.00 C ATOM 1374 O ASP A 87 -15.423 2.831 1.403 1.00 0.00 O ATOM 1375 CB ASP A 87 -17.575 2.261 -0.308 1.00 0.00 C ATOM 1376 CG ASP A 87 -18.967 2.110 -0.894 1.00 0.00 C ATOM 1377 OD1 ASP A 87 -19.073 1.799 -2.099 1.00 0.00 O ATOM 1378 OD2 ASP A 87 -19.950 2.304 -0.148 1.00 0.00 O ATOM 0 H ASP A 87 -15.737 4.418 -1.030 1.00 0.00 H new ATOM 0 HA ASP A 87 -18.228 4.148 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -16.836 1.978 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -17.460 1.573 0.529 1.00 0.00 H new ATOM 1383 N PRO A 88 -16.523 4.560 2.330 1.00 0.00 N ATOM 1384 CA PRO A 88 -15.666 4.623 3.518 1.00 0.00 C ATOM 1385 C PRO A 88 -15.758 3.351 4.357 1.00 0.00 C ATOM 1386 O PRO A 88 -14.909 3.098 5.211 1.00 0.00 O ATOM 1387 CB PRO A 88 -16.207 5.827 4.293 1.00 0.00 C ATOM 1388 CG PRO A 88 -17.602 6.008 3.802 1.00 0.00 C ATOM 1389 CD PRO A 88 -17.587 5.582 2.362 1.00 0.00 C ATOM 0 HA PRO A 88 -14.612 4.718 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -16.187 5.646 5.368 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -15.605 6.717 4.109 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -18.302 5.405 4.381 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -17.919 7.046 3.899 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.549 5.173 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.366 6.416 1.696 1.00 0.00 H new ATOM 1397 N LYS A 89 -16.785 2.545 4.094 1.00 0.00 N ATOM 1398 CA LYS A 89 -16.977 1.291 4.810 1.00 0.00 C ATOM 1399 C LYS A 89 -16.396 0.131 4.009 1.00 0.00 C ATOM 1400 O LYS A 89 -16.848 -1.007 4.118 1.00 0.00 O ATOM 1401 CB LYS A 89 -18.464 1.051 5.079 1.00 0.00 C ATOM 1402 CG LYS A 89 -18.933 1.588 6.423 1.00 0.00 C ATOM 1403 CD LYS A 89 -19.298 3.060 6.338 1.00 0.00 C ATOM 1404 CE LYS A 89 -20.399 3.418 7.322 1.00 0.00 C ATOM 1405 NZ LYS A 89 -19.920 3.377 8.732 1.00 0.00 N ATOM 0 H LYS A 89 -17.496 2.741 3.389 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.456 1.356 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -19.048 1.518 4.286 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -18.665 -0.019 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.797 1.017 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.147 1.449 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -18.416 3.667 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -19.622 3.298 5.325 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.777 4.415 7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.232 2.726 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.723 3.527 9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.489 2.450 8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.213 4.125 8.880 1.00 0.00 H new ATOM 1419 N THR A 90 -15.381 0.441 3.208 1.00 0.00 N ATOM 1420 CA THR A 90 -14.711 -0.551 2.381 1.00 0.00 C ATOM 1421 C THR A 90 -13.271 -0.129 2.143 1.00 0.00 C ATOM 1422 O THR A 90 -12.893 0.267 1.040 1.00 0.00 O ATOM 1423 CB THR A 90 -15.448 -0.726 1.049 1.00 0.00 C ATOM 1424 OG1 THR A 90 -16.745 -1.254 1.262 1.00 0.00 O ATOM 1425 CG2 THR A 90 -14.735 -1.642 0.078 1.00 0.00 C ATOM 0 H THR A 90 -15.003 1.384 3.116 1.00 0.00 H new ATOM 0 HA THR A 90 -14.718 -1.510 2.900 1.00 0.00 H new ATOM 0 HB THR A 90 -15.490 0.272 0.612 1.00 0.00 H new ATOM 0 HG1 THR A 90 -17.202 -1.357 0.401 1.00 0.00 H new ATOM 0 HG21 THR A 90 -15.314 -1.719 -0.842 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.748 -1.237 -0.147 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.628 -2.631 0.523 1.00 0.00 H new ATOM 1433 N VAL A 91 -12.482 -0.212 3.200 1.00 0.00 N ATOM 1434 CA VAL A 91 -11.080 0.163 3.146 1.00 0.00 C ATOM 1435 C VAL A 91 -10.267 -0.862 2.366 1.00 0.00 C ATOM 1436 O VAL A 91 -10.791 -1.879 1.918 1.00 0.00 O ATOM 1437 CB VAL A 91 -10.473 0.331 4.560 1.00 0.00 C ATOM 1438 CG1 VAL A 91 -9.437 1.444 4.568 1.00 0.00 C ATOM 1439 CG2 VAL A 91 -11.564 0.608 5.588 1.00 0.00 C ATOM 0 H VAL A 91 -12.793 -0.539 4.115 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.034 1.124 2.634 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.979 -0.602 4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.022 1.547 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.638 1.202 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.908 2.381 4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.114 0.722 6.574 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.091 1.524 5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.268 -0.224 5.605 1.00 0.00 H new ATOM 1449 N TYR A 92 -8.982 -0.579 2.213 1.00 0.00 N ATOM 1450 CA TYR A 92 -8.072 -1.461 1.492 1.00 0.00 C ATOM 1451 C TYR A 92 -6.658 -1.317 2.041 1.00 0.00 C ATOM 1452 O TYR A 92 -5.907 -0.438 1.618 1.00 0.00 O ATOM 1453 CB TYR A 92 -8.071 -1.142 -0.007 1.00 0.00 C ATOM 1454 CG TYR A 92 -9.404 -1.347 -0.691 1.00 0.00 C ATOM 1455 CD1 TYR A 92 -9.860 -2.623 -0.998 1.00 0.00 C ATOM 1456 CD2 TYR A 92 -10.202 -0.265 -1.042 1.00 0.00 C ATOM 1457 CE1 TYR A 92 -11.074 -2.813 -1.633 1.00 0.00 C ATOM 1458 CE2 TYR A 92 -11.418 -0.448 -1.675 1.00 0.00 C ATOM 1459 CZ TYR A 92 -11.848 -1.725 -1.968 1.00 0.00 C ATOM 1460 OH TYR A 92 -13.057 -1.912 -2.600 1.00 0.00 O ATOM 0 H TYR A 92 -8.541 0.263 2.582 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.416 -2.486 1.631 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.761 -0.106 -0.145 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.325 -1.766 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.257 -3.480 -0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.867 0.737 -0.817 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.414 -3.812 -1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.027 0.404 -1.938 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.575 -1.081 -2.567 1.00 0.00 H new ATOM 1470 N VAL A 93 -6.302 -2.176 2.986 1.00 0.00 N ATOM 1471 CA VAL A 93 -4.979 -2.130 3.590 1.00 0.00 C ATOM 1472 C VAL A 93 -4.033 -3.108 2.909 1.00 0.00 C ATOM 1473 O VAL A 93 -4.282 -4.315 2.879 1.00 0.00 O ATOM 1474 CB VAL A 93 -5.051 -2.425 5.101 1.00 0.00 C ATOM 1475 CG1 VAL A 93 -3.667 -2.652 5.698 1.00 0.00 C ATOM 1476 CG2 VAL A 93 -5.757 -1.284 5.812 1.00 0.00 C ATOM 0 H VAL A 93 -6.909 -2.911 3.350 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.590 -1.121 3.453 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.619 -3.345 5.241 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.760 -2.857 6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.193 -3.501 5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.057 -1.761 5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.806 -1.496 6.880 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.205 -0.358 5.651 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.767 -1.178 5.416 1.00 0.00 H new ATOM 1486 N CYS A 94 -2.949 -2.575 2.359 1.00 0.00 N ATOM 1487 CA CYS A 94 -1.964 -3.394 1.672 1.00 0.00 C ATOM 1488 C CYS A 94 -0.642 -3.414 2.430 1.00 0.00 C ATOM 1489 O CYS A 94 -0.170 -2.383 2.909 1.00 0.00 O ATOM 1490 CB CYS A 94 -1.749 -2.873 0.247 1.00 0.00 C ATOM 1491 SG CYS A 94 -0.421 -3.700 -0.661 1.00 0.00 S ATOM 0 H CYS A 94 -2.732 -1.579 2.376 1.00 0.00 H new ATOM 0 HA CYS A 94 -2.343 -4.415 1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -2.678 -2.985 -0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.531 -1.806 0.293 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.788 -3.884 -1.894 1.00 0.00 H new ATOM 1497 N PHE A 95 -0.045 -4.595 2.517 1.00 0.00 N ATOM 1498 CA PHE A 95 1.230 -4.767 3.195 1.00 0.00 C ATOM 1499 C PHE A 95 2.302 -5.134 2.181 1.00 0.00 C ATOM 1500 O PHE A 95 2.412 -6.288 1.773 1.00 0.00 O ATOM 1501 CB PHE A 95 1.140 -5.857 4.267 1.00 0.00 C ATOM 1502 CG PHE A 95 0.793 -5.341 5.633 1.00 0.00 C ATOM 1503 CD1 PHE A 95 -0.530 -5.158 6.005 1.00 0.00 C ATOM 1504 CD2 PHE A 95 1.790 -5.047 6.547 1.00 0.00 C ATOM 1505 CE1 PHE A 95 -0.851 -4.691 7.265 1.00 0.00 C ATOM 1506 CE2 PHE A 95 1.475 -4.577 7.808 1.00 0.00 C ATOM 1507 CZ PHE A 95 0.154 -4.399 8.167 1.00 0.00 C ATOM 0 H PHE A 95 -0.428 -5.454 2.122 1.00 0.00 H new ATOM 0 HA PHE A 95 1.489 -3.827 3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.391 -6.589 3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.094 -6.381 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.318 -5.383 5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.825 -5.186 6.272 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.885 -4.554 7.544 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.262 -4.349 8.512 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.094 -4.032 9.152 1.00 0.00 H new ATOM 1517 N THR A 96 3.084 -4.148 1.768 1.00 0.00 N ATOM 1518 CA THR A 96 4.134 -4.387 0.788 1.00 0.00 C ATOM 1519 C THR A 96 5.501 -4.414 1.448 1.00 0.00 C ATOM 1520 O THR A 96 5.886 -3.479 2.149 1.00 0.00 O ATOM 1521 CB THR A 96 4.101 -3.325 -0.311 1.00 0.00 C ATOM 1522 OG1 THR A 96 3.790 -2.055 0.230 1.00 0.00 O ATOM 1523 CG2 THR A 96 3.089 -3.627 -1.395 1.00 0.00 C ATOM 0 H THR A 96 3.013 -3.183 2.092 1.00 0.00 H new ATOM 0 HA THR A 96 3.951 -5.362 0.337 1.00 0.00 H new ATOM 0 HB THR A 96 5.097 -3.329 -0.753 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.612 -1.530 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.113 -2.837 -2.146 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.332 -4.581 -1.864 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.092 -3.681 -0.957 1.00 0.00 H new ATOM 1531 N LEU A 97 6.228 -5.501 1.216 1.00 0.00 N ATOM 1532 CA LEU A 97 7.562 -5.682 1.777 1.00 0.00 C ATOM 1533 C LEU A 97 8.353 -4.376 1.744 1.00 0.00 C ATOM 1534 O LEU A 97 8.341 -3.665 0.742 1.00 0.00 O ATOM 1535 CB LEU A 97 8.291 -6.772 1.011 1.00 0.00 C ATOM 1536 CG LEU A 97 7.533 -8.096 0.938 1.00 0.00 C ATOM 1537 CD1 LEU A 97 8.066 -8.940 -0.191 1.00 0.00 C ATOM 1538 CD2 LEU A 97 7.624 -8.848 2.259 1.00 0.00 C ATOM 0 H LEU A 97 5.911 -6.278 0.637 1.00 0.00 H new ATOM 0 HA LEU A 97 7.467 -5.982 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.486 -6.421 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.259 -6.945 1.480 1.00 0.00 H new ATOM 0 HG LEU A 97 6.482 -7.880 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.517 -9.881 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.943 -8.407 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.124 -9.144 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.076 -9.787 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.669 -9.055 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.192 -8.241 3.054 1.00 0.00 H new ATOM 1550 N VAL A 98 9.022 -4.052 2.850 1.00 0.00 N ATOM 1551 CA VAL A 98 9.800 -2.813 2.938 1.00 0.00 C ATOM 1552 C VAL A 98 10.664 -2.605 1.695 1.00 0.00 C ATOM 1553 O VAL A 98 10.940 -1.471 1.304 1.00 0.00 O ATOM 1554 CB VAL A 98 10.705 -2.768 4.193 1.00 0.00 C ATOM 1555 CG1 VAL A 98 10.040 -1.960 5.298 1.00 0.00 C ATOM 1556 CG2 VAL A 98 11.044 -4.166 4.686 1.00 0.00 C ATOM 0 H VAL A 98 9.042 -4.625 3.694 1.00 0.00 H new ATOM 0 HA VAL A 98 9.068 -2.009 3.012 1.00 0.00 H new ATOM 0 HB VAL A 98 11.639 -2.280 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 98 10.689 -1.938 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.866 -0.942 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.088 -2.421 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.681 -4.096 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.126 -4.694 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 98 11.569 -4.711 3.902 1.00 0.00 H new ATOM 1566 N ASP A 99 11.075 -3.704 1.070 1.00 0.00 N ATOM 1567 CA ASP A 99 11.892 -3.631 -0.136 1.00 0.00 C ATOM 1568 C ASP A 99 11.111 -2.975 -1.271 1.00 0.00 C ATOM 1569 O ASP A 99 11.687 -2.351 -2.162 1.00 0.00 O ATOM 1570 CB ASP A 99 12.353 -5.031 -0.552 1.00 0.00 C ATOM 1571 CG ASP A 99 13.851 -5.212 -0.413 1.00 0.00 C ATOM 1572 OD1 ASP A 99 14.404 -6.111 -1.084 1.00 0.00 O ATOM 1573 OD2 ASP A 99 14.472 -4.457 0.363 1.00 0.00 O ATOM 0 H ASP A 99 10.857 -4.652 1.377 1.00 0.00 H new ATOM 0 HA ASP A 99 12.770 -3.022 0.079 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.842 -5.775 0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.062 -5.214 -1.587 1.00 0.00 H new ATOM 1578 N ILE A 100 9.789 -3.121 -1.225 1.00 0.00 N ATOM 1579 CA ILE A 100 8.911 -2.545 -2.235 1.00 0.00 C ATOM 1580 C ILE A 100 8.926 -1.019 -2.172 1.00 0.00 C ATOM 1581 O ILE A 100 8.820 -0.440 -1.091 1.00 0.00 O ATOM 1582 CB ILE A 100 7.456 -3.025 -2.051 1.00 0.00 C ATOM 1583 CG1 ILE A 100 7.397 -4.552 -1.957 1.00 0.00 C ATOM 1584 CG2 ILE A 100 6.575 -2.517 -3.187 1.00 0.00 C ATOM 1585 CD1 ILE A 100 7.673 -5.258 -3.266 1.00 0.00 C ATOM 0 H ILE A 100 9.302 -3.637 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 100 9.286 -2.877 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 100 7.076 -2.614 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.120 -4.889 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.411 -4.846 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.553 -2.866 -3.039 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.588 -1.427 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.953 -2.894 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.613 -6.336 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.935 -4.952 -4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.671 -4.995 -3.618 1.00 0.00 H new ATOM 1597 N PRO A 101 9.043 -0.342 -3.328 1.00 0.00 N ATOM 1598 CA PRO A 101 9.053 1.123 -3.376 1.00 0.00 C ATOM 1599 C PRO A 101 7.763 1.712 -2.817 1.00 0.00 C ATOM 1600 O PRO A 101 7.040 1.050 -2.074 1.00 0.00 O ATOM 1601 CB PRO A 101 9.181 1.441 -4.872 1.00 0.00 C ATOM 1602 CG PRO A 101 9.703 0.192 -5.494 1.00 0.00 C ATOM 1603 CD PRO A 101 9.163 -0.938 -4.668 1.00 0.00 C ATOM 0 HA PRO A 101 9.857 1.547 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 101 8.218 1.721 -5.299 1.00 0.00 H new ATOM 0 HB3 PRO A 101 9.859 2.278 -5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.378 0.107 -6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.793 0.185 -5.500 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.200 -1.287 -5.042 1.00 0.00 H new ATOM 0 HD3 PRO A 101 9.835 -1.796 -4.669 1.00 0.00 H new ATOM 1611 N LYS A 102 7.475 2.957 -3.182 1.00 0.00 N ATOM 1612 CA LYS A 102 6.266 3.627 -2.717 1.00 0.00 C ATOM 1613 C LYS A 102 5.325 3.903 -3.884 1.00 0.00 C ATOM 1614 O LYS A 102 5.057 5.058 -4.219 1.00 0.00 O ATOM 1615 CB LYS A 102 6.624 4.934 -2.006 1.00 0.00 C ATOM 1616 CG LYS A 102 5.667 5.295 -0.881 1.00 0.00 C ATOM 1617 CD LYS A 102 5.605 6.799 -0.666 1.00 0.00 C ATOM 1618 CE LYS A 102 4.611 7.163 0.424 1.00 0.00 C ATOM 1619 NZ LYS A 102 5.232 7.133 1.777 1.00 0.00 N ATOM 0 H LYS A 102 8.061 3.521 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 102 5.758 2.971 -2.010 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.633 4.854 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.636 5.744 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.671 4.918 -1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.986 4.807 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.594 7.171 -0.398 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.322 7.290 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.210 8.158 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.771 6.469 0.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.520 7.387 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.593 6.177 1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.018 7.814 1.814 1.00 0.00 H new ATOM 1633 N ILE A 103 4.832 2.837 -4.507 1.00 0.00 N ATOM 1634 CA ILE A 103 3.927 2.974 -5.644 1.00 0.00 C ATOM 1635 C ILE A 103 3.150 1.686 -5.913 1.00 0.00 C ATOM 1636 O ILE A 103 1.981 1.736 -6.293 1.00 0.00 O ATOM 1637 CB ILE A 103 4.697 3.405 -6.912 1.00 0.00 C ATOM 1638 CG1 ILE A 103 3.754 3.528 -8.116 1.00 0.00 C ATOM 1639 CG2 ILE A 103 5.825 2.427 -7.208 1.00 0.00 C ATOM 1640 CD1 ILE A 103 3.192 4.920 -8.300 1.00 0.00 C ATOM 0 H ILE A 103 5.042 1.874 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 103 3.207 3.751 -5.387 1.00 0.00 H new ATOM 0 HB ILE A 103 5.131 4.387 -6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.291 3.239 -9.019 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.930 2.825 -7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 103 6.357 2.746 -8.104 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.516 2.403 -6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.411 1.431 -7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.534 4.935 -9.169 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.627 5.205 -7.412 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.009 5.625 -8.452 1.00 0.00 H new ATOM 1652 N LEU A 104 3.784 0.532 -5.713 1.00 0.00 N ATOM 1653 CA LEU A 104 3.095 -0.737 -5.943 1.00 0.00 C ATOM 1654 C LEU A 104 1.859 -0.827 -5.060 1.00 0.00 C ATOM 1655 O LEU A 104 0.743 -0.900 -5.567 1.00 0.00 O ATOM 1656 CB LEU A 104 4.006 -1.949 -5.698 1.00 0.00 C ATOM 1657 CG LEU A 104 3.280 -3.304 -5.706 1.00 0.00 C ATOM 1658 CD1 LEU A 104 3.261 -3.904 -7.106 1.00 0.00 C ATOM 1659 CD2 LEU A 104 3.916 -4.270 -4.717 1.00 0.00 C ATOM 0 H LEU A 104 4.751 0.448 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 104 2.800 -0.760 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.784 -1.963 -6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.505 -1.824 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 104 2.249 -3.131 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.742 -4.862 -7.084 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.744 -3.226 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.284 -4.053 -7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.383 -5.221 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.960 -4.432 -4.986 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.861 -3.851 -3.712 1.00 0.00 H new ATOM 1671 N PRO A 105 2.027 -0.800 -3.719 1.00 0.00 N ATOM 1672 CA PRO A 105 0.906 -0.862 -2.784 1.00 0.00 C ATOM 1673 C PRO A 105 -0.214 0.072 -3.213 1.00 0.00 C ATOM 1674 O PRO A 105 -1.397 -0.241 -3.078 1.00 0.00 O ATOM 1675 CB PRO A 105 1.510 -0.403 -1.445 1.00 0.00 C ATOM 1676 CG PRO A 105 2.903 0.047 -1.759 1.00 0.00 C ATOM 1677 CD PRO A 105 3.304 -0.680 -3.010 1.00 0.00 C ATOM 0 HA PRO A 105 0.465 -1.857 -2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.926 0.408 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 105 1.516 -1.216 -0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.940 1.126 -1.907 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.582 -0.186 -0.939 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.040 -0.121 -3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.742 -1.654 -2.793 1.00 0.00 H new ATOM 1685 N ILE A 106 0.186 1.214 -3.756 1.00 0.00 N ATOM 1686 CA ILE A 106 -0.753 2.209 -4.240 1.00 0.00 C ATOM 1687 C ILE A 106 -1.494 1.678 -5.462 1.00 0.00 C ATOM 1688 O ILE A 106 -2.690 1.921 -5.635 1.00 0.00 O ATOM 1689 CB ILE A 106 -0.020 3.517 -4.594 1.00 0.00 C ATOM 1690 CG1 ILE A 106 0.576 4.152 -3.336 1.00 0.00 C ATOM 1691 CG2 ILE A 106 -0.939 4.496 -5.301 1.00 0.00 C ATOM 1692 CD1 ILE A 106 1.895 3.544 -2.916 1.00 0.00 C ATOM 0 H ILE A 106 1.166 1.473 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.474 2.418 -3.450 1.00 0.00 H new ATOM 0 HB ILE A 106 0.790 3.270 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.717 5.219 -3.510 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.137 4.054 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.389 5.407 -5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.308 4.047 -6.223 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.781 4.738 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.257 4.044 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.757 2.483 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.624 3.666 -3.717 1.00 0.00 H new ATOM 1704 N ARG A 107 -0.774 0.937 -6.296 1.00 0.00 N ATOM 1705 CA ARG A 107 -1.351 0.350 -7.495 1.00 0.00 C ATOM 1706 C ARG A 107 -2.111 -0.931 -7.157 1.00 0.00 C ATOM 1707 O ARG A 107 -3.016 -1.329 -7.886 1.00 0.00 O ATOM 1708 CB ARG A 107 -0.259 0.057 -8.527 1.00 0.00 C ATOM 1709 CG ARG A 107 -0.059 1.177 -9.536 1.00 0.00 C ATOM 1710 CD ARG A 107 -1.354 1.527 -10.250 1.00 0.00 C ATOM 1711 NE ARG A 107 -1.973 2.729 -9.700 1.00 0.00 N ATOM 1712 CZ ARG A 107 -3.175 3.173 -10.058 1.00 0.00 C ATOM 1713 NH1 ARG A 107 -3.890 2.518 -10.964 1.00 0.00 N ATOM 1714 NH2 ARG A 107 -3.666 4.276 -9.508 1.00 0.00 N ATOM 0 H ARG A 107 0.215 0.729 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.053 1.068 -7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.682 -0.124 -8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -0.511 -0.860 -9.060 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.327 2.061 -9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.691 0.878 -10.268 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.154 1.675 -11.311 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.050 0.692 -10.170 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.454 3.259 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.519 1.669 -11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.811 2.864 -11.234 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.122 4.784 -8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.588 4.616 -9.783 1.00 0.00 H new ATOM 1728 N ILE A 108 -1.744 -1.571 -6.047 1.00 0.00 N ATOM 1729 CA ILE A 108 -2.410 -2.799 -5.626 1.00 0.00 C ATOM 1730 C ILE A 108 -3.847 -2.507 -5.227 1.00 0.00 C ATOM 1731 O ILE A 108 -4.781 -3.108 -5.755 1.00 0.00 O ATOM 1732 CB ILE A 108 -1.679 -3.476 -4.446 1.00 0.00 C ATOM 1733 CG1 ILE A 108 -0.193 -3.607 -4.754 1.00 0.00 C ATOM 1734 CG2 ILE A 108 -2.273 -4.850 -4.164 1.00 0.00 C ATOM 1735 CD1 ILE A 108 0.092 -4.463 -5.967 1.00 0.00 C ATOM 0 H ILE A 108 -0.995 -1.261 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 108 -2.392 -3.483 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.806 -2.853 -3.561 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.227 -2.614 -4.912 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.314 -4.034 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.744 -5.311 -3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.328 -4.745 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -2.172 -5.479 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.168 -4.515 -6.131 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.299 -5.467 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.387 -4.025 -6.842 1.00 0.00 H new ATOM 1747 N LEU A 109 -4.022 -1.564 -4.307 1.00 0.00 N ATOM 1748 CA LEU A 109 -5.356 -1.183 -3.861 1.00 0.00 C ATOM 1749 C LEU A 109 -6.089 -0.458 -4.980 1.00 0.00 C ATOM 1750 O LEU A 109 -7.187 -0.850 -5.368 1.00 0.00 O ATOM 1751 CB LEU A 109 -5.274 -0.300 -2.612 1.00 0.00 C ATOM 1752 CG LEU A 109 -4.946 -1.034 -1.303 1.00 0.00 C ATOM 1753 CD1 LEU A 109 -4.998 -2.546 -1.488 1.00 0.00 C ATOM 1754 CD2 LEU A 109 -3.580 -0.609 -0.783 1.00 0.00 C ATOM 0 H LEU A 109 -3.262 -1.053 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.911 -2.085 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.516 0.465 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.226 0.216 -2.490 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.702 -0.760 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.761 -3.036 -0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.998 -2.839 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.272 -2.845 -2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.363 -1.138 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.818 -0.849 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.580 0.465 -0.597 1.00 0.00 H new ATOM 1766 N SER A 110 -5.460 0.582 -5.519 1.00 0.00 N ATOM 1767 CA SER A 110 -6.052 1.326 -6.622 1.00 0.00 C ATOM 1768 C SER A 110 -6.272 0.390 -7.803 1.00 0.00 C ATOM 1769 O SER A 110 -7.184 0.583 -8.606 1.00 0.00 O ATOM 1770 CB SER A 110 -5.151 2.493 -7.032 1.00 0.00 C ATOM 1771 OG SER A 110 -5.903 3.529 -7.641 1.00 0.00 O ATOM 0 H SER A 110 -4.550 0.925 -5.213 1.00 0.00 H new ATOM 0 HA SER A 110 -7.010 1.735 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 110 -4.633 2.882 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.386 2.140 -7.723 1.00 0.00 H new ATOM 0 HG SER A 110 -5.396 4.367 -7.603 1.00 0.00 H new ATOM 1777 N GLY A 111 -5.438 -0.644 -7.879 1.00 0.00 N ATOM 1778 CA GLY A 111 -5.556 -1.621 -8.940 1.00 0.00 C ATOM 1779 C GLY A 111 -6.730 -2.543 -8.705 1.00 0.00 C ATOM 1780 O GLY A 111 -7.521 -2.791 -9.613 1.00 0.00 O ATOM 0 H GLY A 111 -4.680 -0.820 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.676 -1.111 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -4.638 -2.205 -9.004 1.00 0.00 H new ATOM 1784 N LEU A 112 -6.862 -3.036 -7.473 1.00 0.00 N ATOM 1785 CA LEU A 112 -7.975 -3.910 -7.124 1.00 0.00 C ATOM 1786 C LEU A 112 -9.285 -3.202 -7.442 1.00 0.00 C ATOM 1787 O LEU A 112 -10.277 -3.832 -7.806 1.00 0.00 O ATOM 1788 CB LEU A 112 -7.932 -4.293 -5.638 1.00 0.00 C ATOM 1789 CG LEU A 112 -6.747 -5.167 -5.212 1.00 0.00 C ATOM 1790 CD1 LEU A 112 -6.349 -4.865 -3.773 1.00 0.00 C ATOM 1791 CD2 LEU A 112 -7.080 -6.645 -5.363 1.00 0.00 C ATOM 0 H LEU A 112 -6.216 -2.845 -6.707 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.898 -4.827 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.916 -3.378 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.855 -4.818 -5.390 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.906 -4.934 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.506 -5.495 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.063 -3.817 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.192 -5.067 -3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.223 -7.244 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.939 -6.890 -4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.317 -6.860 -6.405 1.00 0.00 H new ATOM 1803 N GLN A 113 -9.263 -1.877 -7.324 1.00 0.00 N ATOM 1804 CA GLN A 113 -10.430 -1.065 -7.620 1.00 0.00 C ATOM 1805 C GLN A 113 -10.604 -0.929 -9.132 1.00 0.00 C ATOM 1806 O GLN A 113 -11.673 -0.544 -9.608 1.00 0.00 O ATOM 1807 CB GLN A 113 -10.296 0.318 -6.978 1.00 0.00 C ATOM 1808 CG GLN A 113 -11.109 0.477 -5.705 1.00 0.00 C ATOM 1809 CD GLN A 113 -12.574 0.761 -5.979 1.00 0.00 C ATOM 1810 OE1 GLN A 113 -13.457 0.060 -5.486 1.00 0.00 O ATOM 1811 NE2 GLN A 113 -12.838 1.795 -6.772 1.00 0.00 N ATOM 0 H GLN A 113 -8.445 -1.346 -7.024 1.00 0.00 H new ATOM 0 HA GLN A 113 -11.310 -1.556 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -9.246 0.506 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -10.609 1.075 -7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -11.024 -0.431 -5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.691 1.289 -5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -12.074 2.349 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -13.805 2.034 -6.993 1.00 0.00 H new ATOM 1820 N GLU A 114 -9.552 -1.256 -9.887 1.00 0.00 N ATOM 1821 CA GLU A 114 -9.607 -1.176 -11.336 1.00 0.00 C ATOM 1822 C GLU A 114 -10.412 -2.338 -11.899 1.00 0.00 C ATOM 1823 O GLU A 114 -10.974 -2.244 -12.990 1.00 0.00 O ATOM 1824 CB GLU A 114 -8.195 -1.181 -11.925 1.00 0.00 C ATOM 1825 CG GLU A 114 -8.046 -0.298 -13.155 1.00 0.00 C ATOM 1826 CD GLU A 114 -6.740 -0.535 -13.889 1.00 0.00 C ATOM 1827 OE1 GLU A 114 -6.656 -0.174 -15.082 1.00 0.00 O ATOM 1828 OE2 GLU A 114 -5.802 -1.079 -13.270 1.00 0.00 O ATOM 0 H GLU A 114 -8.658 -1.577 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.097 -0.242 -11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.491 -0.849 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.923 -2.204 -12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -8.879 -0.483 -13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.106 0.748 -12.856 1.00 0.00 H new ATOM 1835 N TYR A 115 -10.469 -3.437 -11.148 1.00 0.00 N ATOM 1836 CA TYR A 115 -11.211 -4.608 -11.585 1.00 0.00 C ATOM 1837 C TYR A 115 -12.694 -4.482 -11.223 1.00 0.00 C ATOM 1838 O TYR A 115 -13.479 -3.922 -11.986 1.00 0.00 O ATOM 1839 CB TYR A 115 -10.624 -5.878 -10.963 1.00 0.00 C ATOM 1840 CG TYR A 115 -9.246 -6.241 -11.464 1.00 0.00 C ATOM 1841 CD1 TYR A 115 -9.005 -7.472 -12.059 1.00 0.00 C ATOM 1842 CD2 TYR A 115 -8.180 -5.361 -11.323 1.00 0.00 C ATOM 1843 CE1 TYR A 115 -7.744 -7.816 -12.503 1.00 0.00 C ATOM 1844 CE2 TYR A 115 -6.917 -5.697 -11.765 1.00 0.00 C ATOM 1845 CZ TYR A 115 -6.704 -6.925 -12.354 1.00 0.00 C ATOM 1846 OH TYR A 115 -5.445 -7.261 -12.794 1.00 0.00 O ATOM 0 H TYR A 115 -10.012 -3.536 -10.241 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.126 -4.675 -12.670 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -10.582 -5.752 -9.881 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -11.300 -6.710 -11.161 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.818 -8.173 -12.177 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -8.343 -4.399 -10.860 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.574 -8.778 -12.964 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.099 -5.001 -11.650 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.888 -6.456 -12.838 1.00 0.00 H new ATOM 1856 N GLU A 116 -13.066 -5.009 -10.051 1.00 0.00 N ATOM 1857 CA GLU A 116 -14.447 -4.969 -9.568 1.00 0.00 C ATOM 1858 C GLU A 116 -14.643 -5.978 -8.439 1.00 0.00 C ATOM 1859 O GLU A 116 -15.471 -5.783 -7.550 1.00 0.00 O ATOM 1860 CB GLU A 116 -15.440 -5.268 -10.698 1.00 0.00 C ATOM 1861 CG GLU A 116 -15.067 -6.483 -11.532 1.00 0.00 C ATOM 1862 CD GLU A 116 -16.126 -6.830 -12.560 1.00 0.00 C ATOM 1863 OE1 GLU A 116 -17.230 -7.257 -12.157 1.00 0.00 O ATOM 1864 OE2 GLU A 116 -15.856 -6.673 -13.769 1.00 0.00 O ATOM 0 H GLU A 116 -12.419 -5.473 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.638 -3.963 -9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.430 -5.423 -10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.508 -4.397 -11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.121 -6.295 -12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -14.911 -7.337 -10.873 1.00 0.00 H new ATOM 1871 N SER A 117 -13.870 -7.061 -8.488 1.00 0.00 N ATOM 1872 CA SER A 117 -13.946 -8.114 -7.479 1.00 0.00 C ATOM 1873 C SER A 117 -12.683 -8.151 -6.631 1.00 0.00 C ATOM 1874 O SER A 117 -11.574 -8.281 -7.139 1.00 0.00 O ATOM 1875 CB SER A 117 -14.172 -9.470 -8.146 1.00 0.00 C ATOM 1876 OG SER A 117 -15.325 -9.450 -8.970 1.00 0.00 O ATOM 0 H SER A 117 -13.181 -7.232 -9.220 1.00 0.00 H new ATOM 0 HA SER A 117 -14.789 -7.895 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 117 -13.299 -9.734 -8.743 1.00 0.00 H new ATOM 0 HB3 SER A 117 -14.281 -10.240 -7.382 1.00 0.00 H new ATOM 0 HG SER A 117 -15.445 -10.329 -9.386 1.00 0.00 H new ATOM 1882 N ASN A 118 -12.877 -8.042 -5.331 1.00 0.00 N ATOM 1883 CA ASN A 118 -11.785 -8.064 -4.372 1.00 0.00 C ATOM 1884 C ASN A 118 -12.360 -8.175 -2.974 1.00 0.00 C ATOM 1885 O ASN A 118 -11.867 -7.555 -2.036 1.00 0.00 O ATOM 1886 CB ASN A 118 -10.932 -6.796 -4.495 1.00 0.00 C ATOM 1887 CG ASN A 118 -11.767 -5.552 -4.726 1.00 0.00 C ATOM 1888 OD1 ASN A 118 -12.341 -4.993 -3.792 1.00 0.00 O ATOM 1889 ND2 ASN A 118 -11.837 -5.111 -5.977 1.00 0.00 N ATOM 0 H ASN A 118 -13.799 -7.935 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 118 -11.144 -8.922 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.342 -6.670 -3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -10.228 -6.915 -5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -12.383 -4.277 -6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -11.345 -5.606 -6.721 1.00 0.00 H new ATOM 1896 N ALA A 119 -13.439 -8.944 -2.861 1.00 0.00 N ATOM 1897 CA ALA A 119 -14.125 -9.114 -1.585 1.00 0.00 C ATOM 1898 C ALA A 119 -13.961 -10.509 -0.987 1.00 0.00 C ATOM 1899 O ALA A 119 -14.868 -11.004 -0.317 1.00 0.00 O ATOM 1900 CB ALA A 119 -15.600 -8.802 -1.764 1.00 0.00 C ATOM 0 H ALA A 119 -13.856 -9.458 -3.637 1.00 0.00 H new ATOM 0 HA ALA A 119 -13.664 -8.421 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -16.117 -8.928 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -15.715 -7.774 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -16.028 -9.480 -2.502 1.00 0.00 H new ATOM 1906 N THR A 120 -12.812 -11.145 -1.202 1.00 0.00 N ATOM 1907 CA THR A 120 -12.584 -12.472 -0.638 1.00 0.00 C ATOM 1908 C THR A 120 -11.130 -12.643 -0.223 1.00 0.00 C ATOM 1909 O THR A 120 -10.238 -11.983 -0.758 1.00 0.00 O ATOM 1910 CB THR A 120 -12.989 -13.573 -1.628 1.00 0.00 C ATOM 1911 OG1 THR A 120 -11.849 -14.209 -2.178 1.00 0.00 O ATOM 1912 CG2 THR A 120 -13.836 -13.077 -2.782 1.00 0.00 C ATOM 0 H THR A 120 -12.038 -10.772 -1.752 1.00 0.00 H new ATOM 0 HA THR A 120 -13.210 -12.565 0.249 1.00 0.00 H new ATOM 0 HB THR A 120 -13.585 -14.269 -1.038 1.00 0.00 H new ATOM 0 HG1 THR A 120 -12.132 -14.863 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.082 -13.912 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 120 -14.755 -12.636 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 120 -13.281 -12.326 -3.344 1.00 0.00 H new ATOM 1920 N ASN A 121 -10.893 -13.539 0.727 1.00 0.00 N ATOM 1921 CA ASN A 121 -9.542 -13.797 1.204 1.00 0.00 C ATOM 1922 C ASN A 121 -8.750 -14.621 0.199 1.00 0.00 C ATOM 1923 O ASN A 121 -7.739 -15.234 0.545 1.00 0.00 O ATOM 1924 CB ASN A 121 -9.577 -14.511 2.555 1.00 0.00 C ATOM 1925 CG ASN A 121 -10.279 -13.695 3.623 1.00 0.00 C ATOM 1926 OD1 ASN A 121 -11.434 -13.301 3.461 1.00 0.00 O ATOM 1927 ND2 ASN A 121 -9.581 -13.434 4.722 1.00 0.00 N ATOM 0 H ASN A 121 -11.617 -14.097 1.180 1.00 0.00 H new ATOM 0 HA ASN A 121 -9.044 -12.835 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -10.083 -15.470 2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -8.558 -14.724 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.000 -12.887 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.626 -13.781 4.814 1.00 0.00 H new ATOM 1934 N GLU A 122 -9.201 -14.625 -1.051 1.00 0.00 N ATOM 1935 CA GLU A 122 -8.522 -15.359 -2.097 1.00 0.00 C ATOM 1936 C GLU A 122 -8.961 -14.835 -3.452 1.00 0.00 C ATOM 1937 O GLU A 122 -8.899 -15.547 -4.454 1.00 0.00 O ATOM 1938 CB GLU A 122 -8.815 -16.855 -1.986 1.00 0.00 C ATOM 1939 CG GLU A 122 -10.298 -17.182 -1.914 1.00 0.00 C ATOM 1940 CD GLU A 122 -10.778 -17.413 -0.495 1.00 0.00 C ATOM 1941 OE1 GLU A 122 -10.553 -18.521 0.034 1.00 0.00 O ATOM 1942 OE2 GLU A 122 -11.378 -16.484 0.087 1.00 0.00 O ATOM 0 H GLU A 122 -10.036 -14.125 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.447 -15.216 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.380 -17.366 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.321 -17.248 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -10.868 -16.365 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.499 -18.072 -2.511 1.00 0.00 H new ATOM 1949 N LEU A 123 -9.413 -13.581 -3.476 1.00 0.00 N ATOM 1950 CA LEU A 123 -9.865 -12.972 -4.705 1.00 0.00 C ATOM 1951 C LEU A 123 -9.079 -11.706 -4.966 1.00 0.00 C ATOM 1952 O LEU A 123 -8.404 -11.579 -5.986 1.00 0.00 O ATOM 1953 CB LEU A 123 -11.348 -12.675 -4.605 1.00 0.00 C ATOM 1954 CG LEU A 123 -12.014 -12.321 -5.918 1.00 0.00 C ATOM 1955 CD1 LEU A 123 -13.507 -12.537 -5.803 1.00 0.00 C ATOM 1956 CD2 LEU A 123 -11.695 -10.886 -6.282 1.00 0.00 C ATOM 0 H LEU A 123 -9.472 -12.977 -2.656 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.702 -13.656 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.851 -13.544 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -11.493 -11.851 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 123 -11.634 -12.965 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -13.985 -12.282 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -13.706 -13.582 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -13.906 -11.903 -5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -12.176 -10.635 -7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -12.063 -10.222 -5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -10.616 -10.767 -6.381 1.00 0.00 H new ATOM 1968 N LEU A 124 -9.142 -10.779 -4.018 1.00 0.00 N ATOM 1969 CA LEU A 124 -8.400 -9.538 -4.133 1.00 0.00 C ATOM 1970 C LEU A 124 -6.948 -9.861 -4.456 1.00 0.00 C ATOM 1971 O LEU A 124 -6.340 -9.260 -5.341 1.00 0.00 O ATOM 1972 CB LEU A 124 -8.522 -8.740 -2.836 1.00 0.00 C ATOM 1973 CG LEU A 124 -7.255 -8.637 -1.988 1.00 0.00 C ATOM 1974 CD1 LEU A 124 -7.138 -7.247 -1.404 1.00 0.00 C ATOM 1975 CD2 LEU A 124 -7.261 -9.693 -0.894 1.00 0.00 C ATOM 0 H LEU A 124 -9.697 -10.866 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 124 -8.807 -8.925 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -8.852 -7.731 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -9.306 -9.191 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 124 -6.386 -8.818 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -6.233 -7.181 -0.801 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.090 -6.516 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -8.007 -7.041 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.352 -9.606 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -8.130 -9.547 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -7.306 -10.684 -1.345 1.00 0.00 H new ATOM 1987 N SER A 125 -6.411 -10.846 -3.738 1.00 0.00 N ATOM 1988 CA SER A 125 -5.040 -11.289 -3.949 1.00 0.00 C ATOM 1989 C SER A 125 -4.782 -11.538 -5.433 1.00 0.00 C ATOM 1990 O SER A 125 -3.655 -11.390 -5.918 1.00 0.00 O ATOM 1991 CB SER A 125 -4.777 -12.572 -3.161 1.00 0.00 C ATOM 1992 OG SER A 125 -5.661 -13.605 -3.560 1.00 0.00 O ATOM 0 H SER A 125 -6.908 -11.351 -3.005 1.00 0.00 H new ATOM 0 HA SER A 125 -4.367 -10.506 -3.600 1.00 0.00 H new ATOM 0 HB2 SER A 125 -3.746 -12.892 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 125 -4.896 -12.379 -2.095 1.00 0.00 H new ATOM 0 HG SER A 125 -5.472 -14.416 -3.043 1.00 0.00 H new ATOM 1998 N SER A 126 -5.835 -11.920 -6.152 1.00 0.00 N ATOM 1999 CA SER A 126 -5.720 -12.198 -7.576 1.00 0.00 C ATOM 2000 C SER A 126 -5.316 -10.963 -8.349 1.00 0.00 C ATOM 2001 O SER A 126 -4.278 -10.941 -9.013 1.00 0.00 O ATOM 2002 CB SER A 126 -7.049 -12.726 -8.110 1.00 0.00 C ATOM 2003 OG SER A 126 -6.846 -13.730 -9.090 1.00 0.00 O ATOM 0 H SER A 126 -6.773 -12.043 -5.771 1.00 0.00 H new ATOM 0 HA SER A 126 -4.943 -12.951 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.639 -13.131 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.623 -11.905 -8.540 1.00 0.00 H new ATOM 0 HG SER A 126 -7.713 -14.052 -9.413 1.00 0.00 H new ATOM 2009 N HIS A 127 -6.140 -9.937 -8.266 1.00 0.00 N ATOM 2010 CA HIS A 127 -5.870 -8.701 -8.963 1.00 0.00 C ATOM 2011 C HIS A 127 -4.547 -8.123 -8.498 1.00 0.00 C ATOM 2012 O HIS A 127 -3.826 -7.511 -9.277 1.00 0.00 O ATOM 2013 CB HIS A 127 -7.020 -7.722 -8.754 1.00 0.00 C ATOM 2014 CG HIS A 127 -8.330 -8.285 -9.208 1.00 0.00 C ATOM 2015 ND1 HIS A 127 -9.540 -7.658 -9.002 1.00 0.00 N ATOM 2016 CD2 HIS A 127 -8.614 -9.434 -9.869 1.00 0.00 C ATOM 2017 CE1 HIS A 127 -10.508 -8.396 -9.517 1.00 0.00 C ATOM 2018 NE2 HIS A 127 -9.973 -9.477 -10.048 1.00 0.00 N ATOM 0 H HIS A 127 -7.002 -9.938 -7.721 1.00 0.00 H new ATOM 0 HA HIS A 127 -5.790 -8.894 -10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -7.085 -7.461 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -6.814 -6.800 -9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -7.902 -10.178 -10.194 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -11.560 -8.154 -9.505 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -10.486 -10.224 -10.516 1.00 0.00 H new ATOM 2027 N VAL A 128 -4.207 -8.349 -7.234 1.00 0.00 N ATOM 2028 CA VAL A 128 -2.941 -7.861 -6.709 1.00 0.00 C ATOM 2029 C VAL A 128 -1.796 -8.371 -7.571 1.00 0.00 C ATOM 2030 O VAL A 128 -0.914 -7.604 -7.960 1.00 0.00 O ATOM 2031 CB VAL A 128 -2.710 -8.294 -5.249 1.00 0.00 C ATOM 2032 CG1 VAL A 128 -1.392 -7.722 -4.720 1.00 0.00 C ATOM 2033 CG2 VAL A 128 -3.880 -7.862 -4.381 1.00 0.00 C ATOM 0 H VAL A 128 -4.782 -8.860 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.978 -6.772 -6.732 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.642 -9.381 -5.213 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.246 -8.039 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.566 -8.086 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.424 -6.633 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.704 -8.174 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.980 -6.777 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.796 -8.324 -4.749 1.00 0.00 H new ATOM 2043 N GLY A 129 -1.820 -9.668 -7.881 1.00 0.00 N ATOM 2044 CA GLY A 129 -0.771 -10.234 -8.712 1.00 0.00 C ATOM 2045 C GLY A 129 -0.828 -9.715 -10.135 1.00 0.00 C ATOM 2046 O GLY A 129 0.200 -9.382 -10.725 1.00 0.00 O ATOM 0 H GLY A 129 -2.536 -10.327 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 129 0.201 -9.998 -8.279 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -0.861 -11.320 -8.719 1.00 0.00 H new ATOM 2050 N GLN A 130 -2.037 -9.636 -10.689 1.00 0.00 N ATOM 2051 CA GLN A 130 -2.224 -9.141 -12.049 1.00 0.00 C ATOM 2052 C GLN A 130 -1.936 -7.643 -12.117 1.00 0.00 C ATOM 2053 O GLN A 130 -1.598 -7.111 -13.175 1.00 0.00 O ATOM 2054 CB GLN A 130 -3.649 -9.423 -12.531 1.00 0.00 C ATOM 2055 CG GLN A 130 -3.847 -10.839 -13.044 1.00 0.00 C ATOM 2056 CD GLN A 130 -4.625 -11.709 -12.075 1.00 0.00 C ATOM 2057 OE1 GLN A 130 -5.388 -11.208 -11.248 1.00 0.00 O ATOM 2058 NE2 GLN A 130 -4.433 -13.019 -12.170 1.00 0.00 N ATOM 0 H GLN A 130 -2.899 -9.908 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 130 -1.524 -9.663 -12.702 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -4.344 -9.242 -11.711 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -3.902 -8.719 -13.324 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -4.373 -10.805 -13.998 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -2.874 -11.292 -13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -3.791 -13.391 -12.870 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -4.927 -13.654 -11.543 1.00 0.00 H new ATOM 2067 N ILE A 131 -2.044 -6.975 -10.972 1.00 0.00 N ATOM 2068 CA ILE A 131 -1.768 -5.548 -10.881 1.00 0.00 C ATOM 2069 C ILE A 131 -0.297 -5.344 -10.544 1.00 0.00 C ATOM 2070 O ILE A 131 0.305 -4.328 -10.887 1.00 0.00 O ATOM 2071 CB ILE A 131 -2.654 -4.876 -9.813 1.00 0.00 C ATOM 2072 CG1 ILE A 131 -4.122 -5.037 -10.180 1.00 0.00 C ATOM 2073 CG2 ILE A 131 -2.325 -3.396 -9.663 1.00 0.00 C ATOM 2074 CD1 ILE A 131 -5.031 -4.946 -8.986 1.00 0.00 C ATOM 0 H ILE A 131 -2.323 -7.404 -10.090 1.00 0.00 H new ATOM 0 HA ILE A 131 -1.996 -5.085 -11.841 1.00 0.00 H new ATOM 0 HB ILE A 131 -2.455 -5.366 -8.860 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -4.398 -4.268 -10.902 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -4.267 -6.000 -10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -2.969 -2.955 -8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -1.282 -3.283 -9.366 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -2.488 -2.889 -10.614 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -6.066 -5.068 -9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -4.777 -5.731 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -4.911 -3.973 -8.510 1.00 0.00 H new ATOM 2086 N LEU A 132 0.269 -6.346 -9.872 1.00 0.00 N ATOM 2087 CA LEU A 132 1.668 -6.332 -9.475 1.00 0.00 C ATOM 2088 C LEU A 132 2.582 -6.352 -10.698 1.00 0.00 C ATOM 2089 O LEU A 132 3.474 -5.516 -10.833 1.00 0.00 O ATOM 2090 CB LEU A 132 1.961 -7.544 -8.584 1.00 0.00 C ATOM 2091 CG LEU A 132 1.738 -7.312 -7.089 1.00 0.00 C ATOM 2092 CD1 LEU A 132 1.302 -8.591 -6.390 1.00 0.00 C ATOM 2093 CD2 LEU A 132 3.000 -6.766 -6.451 1.00 0.00 C ATOM 0 H LEU A 132 -0.233 -7.188 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 132 1.862 -5.414 -8.920 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.332 -8.374 -8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.996 -7.849 -8.739 1.00 0.00 H new ATOM 0 HG LEU A 132 0.938 -6.581 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.152 -8.393 -5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.369 -8.945 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 132 2.072 -9.353 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 132 2.829 -6.605 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU A 132 3.813 -7.480 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 132 3.267 -5.820 -6.923 1.00 0.00 H new ATOM 2105 N ASP A 133 2.351 -7.317 -11.585 1.00 0.00 N ATOM 2106 CA ASP A 133 3.155 -7.450 -12.797 1.00 0.00 C ATOM 2107 C ASP A 133 2.841 -6.331 -13.785 1.00 0.00 C ATOM 2108 O ASP A 133 3.716 -5.882 -14.524 1.00 0.00 O ATOM 2109 CB ASP A 133 2.903 -8.810 -13.453 1.00 0.00 C ATOM 2110 CG ASP A 133 4.080 -9.277 -14.284 1.00 0.00 C ATOM 2111 OD1 ASP A 133 5.218 -8.849 -13.997 1.00 0.00 O ATOM 2112 OD2 ASP A 133 3.866 -10.072 -15.224 1.00 0.00 O ATOM 0 H ASP A 133 1.615 -8.017 -11.488 1.00 0.00 H new ATOM 0 HA ASP A 133 4.206 -7.377 -12.516 1.00 0.00 H new ATOM 0 HB2 ASP A 133 2.691 -9.549 -12.681 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.017 -8.747 -14.085 1.00 0.00 H new ATOM 2117 N SER A 134 1.592 -5.883 -13.789 1.00 0.00 N ATOM 2118 CA SER A 134 1.169 -4.811 -14.685 1.00 0.00 C ATOM 2119 C SER A 134 1.219 -3.459 -13.980 1.00 0.00 C ATOM 2120 O SER A 134 0.519 -2.523 -14.362 1.00 0.00 O ATOM 2121 CB SER A 134 -0.248 -5.076 -15.199 1.00 0.00 C ATOM 2122 OG SER A 134 -0.358 -6.380 -15.743 1.00 0.00 O ATOM 0 H SER A 134 0.854 -6.244 -13.184 1.00 0.00 H new ATOM 0 HA SER A 134 1.858 -4.787 -15.530 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.962 -4.957 -14.384 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.506 -4.339 -15.959 1.00 0.00 H new ATOM 0 HG SER A 134 -0.792 -6.970 -15.092 1.00 0.00 H new ATOM 2128 N PHE A 135 2.054 -3.367 -12.949 1.00 0.00 N ATOM 2129 CA PHE A 135 2.198 -2.132 -12.191 1.00 0.00 C ATOM 2130 C PHE A 135 3.450 -1.380 -12.633 1.00 0.00 C ATOM 2131 O PHE A 135 3.425 -0.163 -12.817 1.00 0.00 O ATOM 2132 CB PHE A 135 2.251 -2.444 -10.687 1.00 0.00 C ATOM 2133 CG PHE A 135 3.381 -1.773 -9.953 1.00 0.00 C ATOM 2134 CD1 PHE A 135 4.606 -2.406 -9.807 1.00 0.00 C ATOM 2135 CD2 PHE A 135 3.217 -0.509 -9.414 1.00 0.00 C ATOM 2136 CE1 PHE A 135 5.645 -1.789 -9.138 1.00 0.00 C ATOM 2137 CE2 PHE A 135 4.250 0.112 -8.743 1.00 0.00 C ATOM 2138 CZ PHE A 135 5.467 -0.528 -8.606 1.00 0.00 C ATOM 0 H PHE A 135 2.641 -4.134 -12.621 1.00 0.00 H new ATOM 0 HA PHE A 135 1.335 -1.495 -12.383 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.308 -2.142 -10.232 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.337 -3.522 -10.555 1.00 0.00 H new ATOM 0 HD1 PHE A 135 4.749 -3.393 -10.221 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.269 -0.003 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 135 6.595 -2.292 -9.031 1.00 0.00 H new ATOM 0 HE2 PHE A 135 4.108 1.098 -8.325 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.278 -0.042 -8.083 1.00 0.00 H new