USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 58 ASN :FLIP amide:sc= -6.1! C(o=-8.1!,f=-6.2!) USER MOD Set 1.2: A 81 THR OG1 : rot 38:sc= -0.0886 USER MOD Set 2.1: A 13 LYS NZ :NH3+ -142:sc= 0 (180deg=0) USER MOD Set 2.2: A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= 0.00345 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 35:sc= 0.0559 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= 1.06 (180deg=-0.375) USER MOD Single : A 32 GLN : amide:sc= -0.421 K(o=-0.42,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= -0.157 (180deg=-0.479) USER MOD Single : A 41 SER OG : rot -75:sc= 0.963 USER MOD Single : A 49 LYS NZ :NH3+ 171:sc=-0.00731 (180deg=-0.118) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.308 F(o=-1.6,f=-0.31) USER MOD Single : A 51 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.57) USER MOD Single : A 60 LYS NZ :NH3+ -112:sc= -1.49 (180deg=-2.72) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.41 F(o=-2.9!,f=-1.4) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0.0291 (180deg=0.022) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.667 -5.263 -8.670 1.00 0.00 N ATOM 60 CA GLY A 7 -6.544 -4.604 -8.031 1.00 0.00 C ATOM 61 C GLY A 7 -6.195 -3.283 -8.688 1.00 0.00 C ATOM 62 O GLY A 7 -5.864 -3.241 -9.873 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.777 -4.433 -6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.675 -5.262 -8.062 1.00 0.00 H new ATOM 66 N ARG A 8 -6.271 -2.202 -7.919 1.00 0.00 N ATOM 67 CA ARG A 8 -5.964 -0.874 -8.435 1.00 0.00 C ATOM 68 C ARG A 8 -4.516 -0.496 -8.137 1.00 0.00 C ATOM 69 O ARG A 8 -3.930 -0.964 -7.160 1.00 0.00 O ATOM 70 CB ARG A 8 -6.909 0.164 -7.826 1.00 0.00 C ATOM 71 CG ARG A 8 -6.752 0.323 -6.323 1.00 0.00 C ATOM 72 CD ARG A 8 -7.552 1.506 -5.801 1.00 0.00 C ATOM 73 NE ARG A 8 -6.953 2.782 -6.182 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.486 3.962 -5.885 1.00 0.00 C ATOM 75 NH1 ARG A 8 -8.624 4.027 -5.207 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.881 5.080 -6.266 1.00 0.00 N ATOM 0 H ARG A 8 -6.543 -2.220 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.102 -0.891 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.734 1.127 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.938 -0.120 -8.047 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.080 -0.588 -5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.698 0.459 -6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.570 1.454 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.619 1.447 -4.715 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.077 2.766 -6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.092 3.170 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.031 4.934 -4.980 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.006 5.034 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.291 5.985 -6.037 1.00 0.00 H new ATOM 90 N VAL A 9 -3.944 0.352 -8.985 1.00 0.00 N ATOM 91 CA VAL A 9 -2.565 0.793 -8.812 1.00 0.00 C ATOM 92 C VAL A 9 -2.504 2.143 -8.107 1.00 0.00 C ATOM 93 O VAL A 9 -3.181 3.093 -8.501 1.00 0.00 O ATOM 94 CB VAL A 9 -1.837 0.900 -10.165 1.00 0.00 C ATOM 95 CG1 VAL A 9 -0.385 1.304 -9.960 1.00 0.00 C ATOM 96 CG2 VAL A 9 -1.930 -0.415 -10.925 1.00 0.00 C ATOM 0 H VAL A 9 -4.414 0.748 -9.799 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.067 0.043 -8.198 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.324 1.673 -10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.113 1.374 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.344 2.271 -9.459 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.118 0.556 -9.347 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.410 -0.322 -11.879 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.469 -1.209 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.977 -0.658 -11.105 1.00 0.00 H new ATOM 106 N VAL A 10 -1.688 2.222 -7.061 1.00 0.00 N ATOM 107 CA VAL A 10 -1.537 3.457 -6.301 1.00 0.00 C ATOM 108 C VAL A 10 -0.097 3.955 -6.343 1.00 0.00 C ATOM 109 O VAL A 10 0.845 3.163 -6.386 1.00 0.00 O ATOM 110 CB VAL A 10 -1.960 3.267 -4.832 1.00 0.00 C ATOM 111 CG1 VAL A 10 -2.039 4.609 -4.121 1.00 0.00 C ATOM 112 CG2 VAL A 10 -3.290 2.533 -4.752 1.00 0.00 C ATOM 0 H VAL A 10 -1.121 1.445 -6.720 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.188 4.197 -6.766 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.206 2.661 -4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.339 4.455 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.063 5.093 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.772 5.243 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.574 2.407 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.056 3.111 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.194 1.554 -5.222 1.00 0.00 H new ATOM 122 N VAL A 11 0.068 5.274 -6.328 1.00 0.00 N ATOM 123 CA VAL A 11 1.394 5.880 -6.363 1.00 0.00 C ATOM 124 C VAL A 11 1.506 7.017 -5.354 1.00 0.00 C ATOM 125 O VAL A 11 0.659 7.910 -5.314 1.00 0.00 O ATOM 126 CB VAL A 11 1.728 6.419 -7.767 1.00 0.00 C ATOM 127 CG1 VAL A 11 3.126 7.019 -7.790 1.00 0.00 C ATOM 128 CG2 VAL A 11 1.595 5.316 -8.806 1.00 0.00 C ATOM 0 H VAL A 11 -0.701 5.944 -6.292 1.00 0.00 H new ATOM 0 HA VAL A 11 2.106 5.097 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 11 1.016 7.207 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.344 7.395 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.182 7.839 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.855 6.254 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.835 5.714 -9.792 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.282 4.505 -8.565 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.573 4.938 -8.806 1.00 0.00 H new ATOM 138 N ILE A 12 2.555 6.978 -4.541 1.00 0.00 N ATOM 139 CA ILE A 12 2.779 8.006 -3.532 1.00 0.00 C ATOM 140 C ILE A 12 4.235 8.458 -3.520 1.00 0.00 C ATOM 141 O ILE A 12 5.114 7.772 -4.044 1.00 0.00 O ATOM 142 CB ILE A 12 2.396 7.508 -2.126 1.00 0.00 C ATOM 143 CG1 ILE A 12 0.975 6.940 -2.131 1.00 0.00 C ATOM 144 CG2 ILE A 12 2.517 8.637 -1.113 1.00 0.00 C ATOM 145 CD1 ILE A 12 0.747 5.872 -1.085 1.00 0.00 C ATOM 0 H ILE A 12 3.264 6.245 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 12 2.142 8.850 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 12 3.084 6.713 -1.839 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.267 7.753 -1.969 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.762 6.524 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.243 8.269 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.545 9.000 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.850 9.452 -1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.281 5.516 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.430 5.041 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.927 6.289 -0.094 1.00 0.00 H new ATOM 157 N LYS A 13 4.485 9.615 -2.918 1.00 0.00 N ATOM 158 CA LYS A 13 5.835 10.159 -2.834 1.00 0.00 C ATOM 159 C LYS A 13 6.086 10.784 -1.465 1.00 0.00 C ATOM 160 O LYS A 13 5.427 11.751 -1.083 1.00 0.00 O ATOM 161 CB LYS A 13 6.056 11.202 -3.931 1.00 0.00 C ATOM 162 CG LYS A 13 5.256 10.936 -5.194 1.00 0.00 C ATOM 163 CD LYS A 13 5.155 12.178 -6.063 1.00 0.00 C ATOM 164 CE LYS A 13 6.529 12.676 -6.484 1.00 0.00 C ATOM 165 NZ LYS A 13 7.116 11.837 -7.566 1.00 0.00 N ATOM 0 H LYS A 13 3.769 10.195 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 13 6.539 9.339 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.791 12.186 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.116 11.233 -4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.726 10.132 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.256 10.596 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.560 11.956 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.633 12.964 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.452 13.708 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.196 12.675 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.139 11.733 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.667 10.899 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.952 12.293 -8.486 1.00 0.00 H new ATOM 179 N LYS A 14 7.043 10.227 -0.732 1.00 0.00 N ATOM 180 CA LYS A 14 7.384 10.731 0.593 1.00 0.00 C ATOM 181 C LYS A 14 7.270 12.251 0.643 1.00 0.00 C ATOM 182 O LYS A 14 7.815 12.952 -0.209 1.00 0.00 O ATOM 183 CB LYS A 14 8.802 10.302 0.976 1.00 0.00 C ATOM 184 CG LYS A 14 9.032 10.228 2.475 1.00 0.00 C ATOM 185 CD LYS A 14 10.412 9.683 2.802 1.00 0.00 C ATOM 186 CE LYS A 14 10.465 8.171 2.647 1.00 0.00 C ATOM 187 NZ LYS A 14 11.854 7.649 2.766 1.00 0.00 N ATOM 0 H LYS A 14 7.597 9.425 -1.033 1.00 0.00 H new ATOM 0 HA LYS A 14 6.678 10.308 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.008 9.326 0.537 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.514 11.004 0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.920 11.221 2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.272 9.593 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.151 10.143 2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.679 9.955 3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.836 7.706 3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.054 7.891 1.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.155 7.251 1.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.494 8.424 3.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.885 6.907 3.494 1.00 0.00 H new ATOM 201 N GLY A 15 6.560 12.755 1.648 1.00 0.00 N ATOM 202 CA GLY A 15 6.390 14.189 1.790 1.00 0.00 C ATOM 203 C GLY A 15 6.030 14.592 3.206 1.00 0.00 C ATOM 204 O GLY A 15 6.889 14.624 4.088 1.00 0.00 O ATOM 0 H GLY A 15 6.100 12.196 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.311 14.692 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.609 14.529 1.109 1.00 0.00 H new ATOM 208 N SER A 16 4.756 14.902 3.426 1.00 0.00 N ATOM 209 CA SER A 16 4.285 15.311 4.744 1.00 0.00 C ATOM 210 C SER A 16 4.254 14.125 5.702 1.00 0.00 C ATOM 211 O SER A 16 3.710 13.069 5.383 1.00 0.00 O ATOM 212 CB SER A 16 2.891 15.933 4.640 1.00 0.00 C ATOM 213 OG SER A 16 2.490 16.495 5.878 1.00 0.00 O ATOM 0 H SER A 16 4.032 14.878 2.708 1.00 0.00 H new ATOM 0 HA SER A 16 4.979 16.054 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.890 16.704 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.172 15.174 4.332 1.00 0.00 H new ATOM 0 HG SER A 16 1.597 16.888 5.785 1.00 0.00 H new ATOM 219 N ASN A 17 4.844 14.307 6.879 1.00 0.00 N ATOM 220 CA ASN A 17 4.886 13.252 7.885 1.00 0.00 C ATOM 221 C ASN A 17 5.045 11.883 7.231 1.00 0.00 C ATOM 222 O ASN A 17 4.303 10.950 7.532 1.00 0.00 O ATOM 223 CB ASN A 17 3.615 13.279 8.735 1.00 0.00 C ATOM 224 CG ASN A 17 3.631 14.393 9.765 1.00 0.00 C ATOM 225 OD1 ASN A 17 2.989 15.428 9.587 1.00 0.00 O ATOM 226 ND2 ASN A 17 4.368 14.184 10.850 1.00 0.00 N ATOM 0 H ASN A 17 5.300 15.175 7.160 1.00 0.00 H new ATOM 0 HA ASN A 17 5.748 13.430 8.527 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.749 13.402 8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.500 12.321 9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.418 14.897 11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.884 13.310 10.956 1.00 0.00 H new ATOM 233 N GLY A 18 6.020 11.771 6.334 1.00 0.00 N ATOM 234 CA GLY A 18 6.260 10.513 5.652 1.00 0.00 C ATOM 235 C GLY A 18 5.330 10.307 4.472 1.00 0.00 C ATOM 236 O GLY A 18 5.062 11.239 3.714 1.00 0.00 O ATOM 0 H GLY A 18 6.648 12.529 6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.293 10.482 5.306 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.135 9.691 6.357 1.00 0.00 H new ATOM 240 N TYR A 19 4.838 9.083 4.316 1.00 0.00 N ATOM 241 CA TYR A 19 3.937 8.756 3.217 1.00 0.00 C ATOM 242 C TYR A 19 2.497 9.124 3.566 1.00 0.00 C ATOM 243 O TYR A 19 1.818 9.812 2.806 1.00 0.00 O ATOM 244 CB TYR A 19 4.027 7.267 2.881 1.00 0.00 C ATOM 245 CG TYR A 19 5.304 6.884 2.168 1.00 0.00 C ATOM 246 CD1 TYR A 19 5.445 7.078 0.800 1.00 0.00 C ATOM 247 CD2 TYR A 19 6.372 6.329 2.864 1.00 0.00 C ATOM 248 CE1 TYR A 19 6.609 6.728 0.144 1.00 0.00 C ATOM 249 CE2 TYR A 19 7.541 5.978 2.217 1.00 0.00 C ATOM 250 CZ TYR A 19 7.655 6.179 0.857 1.00 0.00 C ATOM 251 OH TYR A 19 8.817 5.831 0.208 1.00 0.00 O ATOM 0 H TYR A 19 5.048 8.301 4.936 1.00 0.00 H new ATOM 0 HA TYR A 19 4.241 9.337 2.346 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.948 6.690 3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.176 6.991 2.258 1.00 0.00 H new ATOM 0 HD1 TYR A 19 4.630 7.510 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.286 6.170 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.700 6.883 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.361 5.549 2.773 1.00 0.00 H new ATOM 0 HH TYR A 19 8.992 6.470 -0.514 1.00 0.00 H new ATOM 261 N GLY A 20 2.039 8.659 4.725 1.00 0.00 N ATOM 262 CA GLY A 20 0.684 8.948 5.156 1.00 0.00 C ATOM 263 C GLY A 20 -0.091 7.695 5.512 1.00 0.00 C ATOM 264 O GLY A 20 -1.051 7.748 6.282 1.00 0.00 O ATOM 0 H GLY A 20 2.582 8.088 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.715 9.610 6.021 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.160 9.483 4.364 1.00 0.00 H new ATOM 268 N PHE A 21 0.324 6.565 4.950 1.00 0.00 N ATOM 269 CA PHE A 21 -0.340 5.293 5.210 1.00 0.00 C ATOM 270 C PHE A 21 0.567 4.358 6.005 1.00 0.00 C ATOM 271 O PHE A 21 1.780 4.562 6.073 1.00 0.00 O ATOM 272 CB PHE A 21 -0.749 4.628 3.894 1.00 0.00 C ATOM 273 CG PHE A 21 0.392 3.965 3.178 1.00 0.00 C ATOM 274 CD1 PHE A 21 1.330 4.720 2.492 1.00 0.00 C ATOM 275 CD2 PHE A 21 0.528 2.586 3.190 1.00 0.00 C ATOM 276 CE1 PHE A 21 2.381 4.113 1.832 1.00 0.00 C ATOM 277 CE2 PHE A 21 1.578 1.973 2.532 1.00 0.00 C ATOM 278 CZ PHE A 21 2.505 2.738 1.851 1.00 0.00 C ATOM 0 H PHE A 21 1.117 6.504 4.311 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.234 5.493 5.801 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.521 3.886 4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.192 5.378 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.238 5.796 2.473 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.195 1.983 3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.105 4.714 1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.673 0.897 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 21 3.325 2.261 1.334 1.00 0.00 H new ATOM 288 N TYR A 22 -0.028 3.334 6.604 1.00 0.00 N ATOM 289 CA TYR A 22 0.724 2.369 7.397 1.00 0.00 C ATOM 290 C TYR A 22 0.350 0.940 7.016 1.00 0.00 C ATOM 291 O TYR A 22 -0.636 0.710 6.313 1.00 0.00 O ATOM 292 CB TYR A 22 0.471 2.594 8.888 1.00 0.00 C ATOM 293 CG TYR A 22 0.983 3.923 9.396 1.00 0.00 C ATOM 294 CD1 TYR A 22 0.176 5.054 9.377 1.00 0.00 C ATOM 295 CD2 TYR A 22 2.274 4.048 9.894 1.00 0.00 C ATOM 296 CE1 TYR A 22 0.639 6.270 9.839 1.00 0.00 C ATOM 297 CE2 TYR A 22 2.746 5.260 10.360 1.00 0.00 C ATOM 298 CZ TYR A 22 1.925 6.368 10.330 1.00 0.00 C ATOM 299 OH TYR A 22 2.391 7.577 10.792 1.00 0.00 O ATOM 0 H TYR A 22 -1.030 3.150 6.556 1.00 0.00 H new ATOM 0 HA TYR A 22 1.784 2.515 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.600 2.530 9.080 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.945 1.792 9.453 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.831 4.981 8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.920 3.183 9.917 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.001 7.139 9.816 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.752 5.339 10.745 1.00 0.00 H new ATOM 0 HH TYR A 22 3.314 7.474 11.104 1.00 0.00 H new ATOM 309 N LEU A 23 1.143 -0.017 7.484 1.00 0.00 N ATOM 310 CA LEU A 23 0.896 -1.426 7.194 1.00 0.00 C ATOM 311 C LEU A 23 0.781 -2.235 8.482 1.00 0.00 C ATOM 312 O LEU A 23 1.534 -2.019 9.432 1.00 0.00 O ATOM 313 CB LEU A 23 2.017 -1.991 6.321 1.00 0.00 C ATOM 314 CG LEU A 23 2.122 -1.417 4.908 1.00 0.00 C ATOM 315 CD1 LEU A 23 3.335 -1.988 4.189 1.00 0.00 C ATOM 316 CD2 LEU A 23 0.851 -1.700 4.121 1.00 0.00 C ATOM 0 H LEU A 23 1.963 0.156 8.066 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.048 -1.501 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.966 -1.824 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.882 -3.070 6.244 1.00 0.00 H new ATOM 0 HG LEU A 23 2.245 -0.337 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.394 -1.568 3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.239 -1.733 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.243 -3.072 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.944 -1.284 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.696 -2.777 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.001 -1.242 4.626 1.00 0.00 H new ATOM 328 N ARG A 24 -0.165 -3.168 8.506 1.00 0.00 N ATOM 329 CA ARG A 24 -0.377 -4.011 9.677 1.00 0.00 C ATOM 330 C ARG A 24 -0.643 -5.456 9.265 1.00 0.00 C ATOM 331 O ARG A 24 -1.314 -5.714 8.267 1.00 0.00 O ATOM 332 CB ARG A 24 -1.549 -3.482 10.506 1.00 0.00 C ATOM 333 CG ARG A 24 -1.546 -3.971 11.945 1.00 0.00 C ATOM 334 CD ARG A 24 -2.771 -3.483 12.702 1.00 0.00 C ATOM 335 NE ARG A 24 -3.102 -4.353 13.827 1.00 0.00 N ATOM 336 CZ ARG A 24 -4.167 -4.180 14.602 1.00 0.00 C ATOM 337 NH1 ARG A 24 -5.000 -3.173 14.374 1.00 0.00 N ATOM 338 NH2 ARG A 24 -4.402 -5.015 15.606 1.00 0.00 N ATOM 0 H ARG A 24 -0.797 -3.359 7.728 1.00 0.00 H new ATOM 0 HA ARG A 24 0.529 -3.985 10.282 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.524 -2.392 10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.483 -3.781 10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.518 -5.061 11.960 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.644 -3.622 12.447 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.593 -2.471 13.066 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.621 -3.431 12.021 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.481 -5.137 14.029 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.823 -2.530 13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.817 -3.042 14.970 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.764 -5.791 15.784 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.220 -4.881 16.200 1.00 0.00 H new ATOM 352 N ALA A 25 -0.112 -6.394 10.042 1.00 0.00 N ATOM 353 CA ALA A 25 -0.293 -7.813 9.760 1.00 0.00 C ATOM 354 C ALA A 25 -1.763 -8.208 9.855 1.00 0.00 C ATOM 355 O ALA A 25 -2.298 -8.387 10.948 1.00 0.00 O ATOM 356 CB ALA A 25 0.544 -8.652 10.714 1.00 0.00 C ATOM 0 H ALA A 25 0.447 -6.197 10.872 1.00 0.00 H new ATOM 0 HA ALA A 25 0.042 -8.001 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.399 -9.709 10.492 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.597 -8.397 10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.237 -8.451 11.740 1.00 0.00 H new ATOM 362 N GLY A 26 -2.410 -8.343 8.701 1.00 0.00 N ATOM 363 CA GLY A 26 -3.813 -8.715 8.677 1.00 0.00 C ATOM 364 C GLY A 26 -4.029 -10.182 8.993 1.00 0.00 C ATOM 365 O GLY A 26 -3.188 -10.836 9.611 1.00 0.00 O ATOM 0 H GLY A 26 -1.988 -8.202 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.359 -8.107 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.228 -8.493 7.694 1.00 0.00 H new ATOM 369 N PRO A 27 -5.180 -10.720 8.566 1.00 0.00 N ATOM 370 CA PRO A 27 -5.531 -12.124 8.796 1.00 0.00 C ATOM 371 C PRO A 27 -4.668 -13.080 7.980 1.00 0.00 C ATOM 372 O PRO A 27 -3.621 -12.694 7.461 1.00 0.00 O ATOM 373 CB PRO A 27 -6.992 -12.204 8.344 1.00 0.00 C ATOM 374 CG PRO A 27 -7.143 -11.098 7.357 1.00 0.00 C ATOM 375 CD PRO A 27 -6.228 -9.999 7.823 1.00 0.00 C ATOM 0 HA PRO A 27 -5.375 -12.417 9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.215 -13.171 7.893 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.674 -12.080 9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.874 -11.430 6.354 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.176 -10.753 7.312 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.813 -9.439 6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.750 -9.283 8.458 1.00 0.00 H new ATOM 383 N GLU A 28 -5.114 -14.327 7.870 1.00 0.00 N ATOM 384 CA GLU A 28 -4.381 -15.337 7.117 1.00 0.00 C ATOM 385 C GLU A 28 -4.340 -14.985 5.632 1.00 0.00 C ATOM 386 O GLU A 28 -3.560 -15.556 4.870 1.00 0.00 O ATOM 387 CB GLU A 28 -5.021 -16.714 7.308 1.00 0.00 C ATOM 388 CG GLU A 28 -4.777 -17.312 8.683 1.00 0.00 C ATOM 389 CD GLU A 28 -5.558 -18.592 8.909 1.00 0.00 C ATOM 390 OE1 GLU A 28 -5.145 -19.641 8.373 1.00 0.00 O ATOM 391 OE2 GLU A 28 -6.582 -18.544 9.622 1.00 0.00 O ATOM 0 H GLU A 28 -5.980 -14.662 8.293 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.359 -15.364 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.095 -16.632 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.632 -17.395 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.713 -17.514 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.052 -16.584 9.446 1.00 0.00 H new ATOM 398 N GLN A 29 -5.185 -14.041 5.231 1.00 0.00 N ATOM 399 CA GLN A 29 -5.247 -13.614 3.838 1.00 0.00 C ATOM 400 C GLN A 29 -3.947 -12.935 3.419 1.00 0.00 C ATOM 401 O GLN A 29 -3.538 -11.936 4.010 1.00 0.00 O ATOM 402 CB GLN A 29 -6.425 -12.662 3.626 1.00 0.00 C ATOM 403 CG GLN A 29 -7.782 -13.340 3.730 1.00 0.00 C ATOM 404 CD GLN A 29 -8.904 -12.360 4.011 1.00 0.00 C ATOM 405 OE1 GLN A 29 -9.478 -11.776 3.092 1.00 0.00 O ATOM 406 NE2 GLN A 29 -9.223 -12.175 5.287 1.00 0.00 N ATOM 0 H GLN A 29 -5.836 -13.558 5.850 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.389 -14.500 3.219 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.371 -11.861 4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.334 -12.198 2.644 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.992 -13.870 2.801 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -7.751 -14.088 4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.721 -12.680 6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.970 -11.528 5.537 1.00 0.00 H new ATOM 415 N LYS A 30 -3.302 -13.484 2.395 1.00 0.00 N ATOM 416 CA LYS A 30 -2.048 -12.932 1.895 1.00 0.00 C ATOM 417 C LYS A 30 -2.204 -11.454 1.551 1.00 0.00 C ATOM 418 O LYS A 30 -3.133 -11.067 0.843 1.00 0.00 O ATOM 419 CB LYS A 30 -1.581 -13.708 0.662 1.00 0.00 C ATOM 420 CG LYS A 30 -0.680 -14.886 0.990 1.00 0.00 C ATOM 421 CD LYS A 30 -1.486 -16.135 1.301 1.00 0.00 C ATOM 422 CE LYS A 30 -1.804 -16.239 2.784 1.00 0.00 C ATOM 423 NZ LYS A 30 -2.834 -17.279 3.060 1.00 0.00 N ATOM 0 H LYS A 30 -3.627 -14.311 1.895 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.299 -13.027 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.454 -14.069 0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.049 -13.029 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.015 -15.081 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.050 -14.637 1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.414 -16.122 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.929 -17.017 0.985 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.893 -16.475 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.156 -15.274 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.437 -16.970 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.419 -17.422 2.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.366 -18.173 3.312 1.00 0.00 H new ATOM 437 N GLY A 31 -1.288 -10.633 2.055 1.00 0.00 N ATOM 438 CA GLY A 31 -1.341 -9.208 1.787 1.00 0.00 C ATOM 439 C GLY A 31 -1.469 -8.385 3.054 1.00 0.00 C ATOM 440 O GLY A 31 -2.090 -8.820 4.023 1.00 0.00 O ATOM 0 H GLY A 31 -0.510 -10.929 2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.440 -8.908 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.186 -8.996 1.132 1.00 0.00 H new ATOM 444 N GLN A 32 -0.879 -7.194 3.046 1.00 0.00 N ATOM 445 CA GLN A 32 -0.928 -6.310 4.205 1.00 0.00 C ATOM 446 C GLN A 32 -2.132 -5.377 4.126 1.00 0.00 C ATOM 447 O GLN A 32 -2.696 -5.164 3.052 1.00 0.00 O ATOM 448 CB GLN A 32 0.361 -5.492 4.304 1.00 0.00 C ATOM 449 CG GLN A 32 1.612 -6.343 4.444 1.00 0.00 C ATOM 450 CD GLN A 32 1.648 -7.119 5.746 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.077 -6.603 6.778 1.00 0.00 O ATOM 452 NE2 GLN A 32 1.196 -8.367 5.704 1.00 0.00 N ATOM 0 H GLN A 32 -0.362 -6.819 2.251 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.027 -6.927 5.098 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.454 -4.867 3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.291 -4.821 5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.668 -7.040 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.491 -5.702 4.383 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.849 -8.755 4.827 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.195 -8.938 6.549 1.00 0.00 H new ATOM 461 N ILE A 33 -2.521 -4.823 5.270 1.00 0.00 N ATOM 462 CA ILE A 33 -3.657 -3.913 5.330 1.00 0.00 C ATOM 463 C ILE A 33 -3.205 -2.489 5.634 1.00 0.00 C ATOM 464 O ILE A 33 -2.206 -2.278 6.323 1.00 0.00 O ATOM 465 CB ILE A 33 -4.677 -4.354 6.396 1.00 0.00 C ATOM 466 CG1 ILE A 33 -4.784 -5.880 6.430 1.00 0.00 C ATOM 467 CG2 ILE A 33 -6.036 -3.728 6.120 1.00 0.00 C ATOM 468 CD1 ILE A 33 -5.993 -6.385 7.186 1.00 0.00 C ATOM 0 H ILE A 33 -2.066 -4.989 6.167 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.134 -3.939 4.350 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.332 -4.011 7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.822 -6.256 5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.883 -6.289 6.887 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.746 -4.049 6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.947 -2.642 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.389 -4.044 5.138 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.004 -7.475 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.947 -6.039 8.219 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.900 -6.006 6.716 1.00 0.00 H new ATOM 480 N ILE A 34 -3.947 -1.515 5.118 1.00 0.00 N ATOM 481 CA ILE A 34 -3.624 -0.111 5.337 1.00 0.00 C ATOM 482 C ILE A 34 -4.551 0.511 6.375 1.00 0.00 C ATOM 483 O ILE A 34 -5.723 0.146 6.477 1.00 0.00 O ATOM 484 CB ILE A 34 -3.718 0.699 4.030 1.00 0.00 C ATOM 485 CG1 ILE A 34 -2.658 0.226 3.034 1.00 0.00 C ATOM 486 CG2 ILE A 34 -3.559 2.185 4.316 1.00 0.00 C ATOM 487 CD1 ILE A 34 -2.636 1.025 1.750 1.00 0.00 C ATOM 0 H ILE A 34 -4.776 -1.673 4.545 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.598 -0.077 5.703 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.701 0.537 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.677 0.284 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.836 -0.823 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.628 2.744 3.383 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.348 2.512 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.588 2.365 4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.860 0.634 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.605 0.947 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.427 2.071 1.976 1.00 0.00 H new ATOM 499 N LYS A 35 -4.020 1.455 7.145 1.00 0.00 N ATOM 500 CA LYS A 35 -4.800 2.132 8.175 1.00 0.00 C ATOM 501 C LYS A 35 -4.044 3.338 8.724 1.00 0.00 C ATOM 502 O LYS A 35 -2.844 3.487 8.495 1.00 0.00 O ATOM 503 CB LYS A 35 -5.131 1.163 9.312 1.00 0.00 C ATOM 504 CG LYS A 35 -3.947 0.324 9.761 1.00 0.00 C ATOM 505 CD LYS A 35 -4.391 -1.028 10.292 1.00 0.00 C ATOM 506 CE LYS A 35 -5.502 -0.886 11.322 1.00 0.00 C ATOM 507 NZ LYS A 35 -4.997 -0.335 12.610 1.00 0.00 N ATOM 0 H LYS A 35 -3.052 1.769 7.075 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.728 2.482 7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.507 1.730 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.934 0.500 8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.263 0.181 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.395 0.857 10.536 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.737 -1.649 9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.540 -1.541 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.281 -0.233 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.961 -1.859 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.714 -0.472 13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.122 -0.828 12.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.802 0.681 12.501 1.00 0.00 H new ATOM 521 N ASP A 36 -4.754 4.194 9.451 1.00 0.00 N ATOM 522 CA ASP A 36 -4.150 5.386 10.035 1.00 0.00 C ATOM 523 C ASP A 36 -3.671 6.341 8.947 1.00 0.00 C ATOM 524 O ASP A 36 -2.581 6.907 9.041 1.00 0.00 O ATOM 525 CB ASP A 36 -2.981 4.998 10.943 1.00 0.00 C ATOM 526 CG ASP A 36 -2.345 6.200 11.612 1.00 0.00 C ATOM 527 OD1 ASP A 36 -3.057 7.202 11.832 1.00 0.00 O ATOM 528 OD2 ASP A 36 -1.135 6.139 11.916 1.00 0.00 O ATOM 0 H ASP A 36 -5.748 4.085 9.650 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.909 5.894 10.630 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.333 4.304 11.707 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.228 4.472 10.356 1.00 0.00 H new ATOM 533 N ILE A 37 -4.491 6.515 7.916 1.00 0.00 N ATOM 534 CA ILE A 37 -4.150 7.402 6.811 1.00 0.00 C ATOM 535 C ILE A 37 -4.125 8.859 7.262 1.00 0.00 C ATOM 536 O ILE A 37 -5.056 9.333 7.912 1.00 0.00 O ATOM 537 CB ILE A 37 -5.144 7.255 5.644 1.00 0.00 C ATOM 538 CG1 ILE A 37 -5.098 5.833 5.082 1.00 0.00 C ATOM 539 CG2 ILE A 37 -4.835 8.271 4.554 1.00 0.00 C ATOM 540 CD1 ILE A 37 -5.986 5.631 3.875 1.00 0.00 C ATOM 0 H ILE A 37 -5.396 6.054 7.823 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.156 7.113 6.470 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.150 7.446 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.070 5.591 4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.395 5.133 5.863 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.546 8.155 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.914 9.278 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.824 8.109 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.903 4.600 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.021 5.841 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.675 6.306 3.078 1.00 0.00 H new ATOM 552 N GLU A 38 -3.054 9.563 6.911 1.00 0.00 N ATOM 553 CA GLU A 38 -2.909 10.967 7.279 1.00 0.00 C ATOM 554 C GLU A 38 -3.613 11.869 6.271 1.00 0.00 C ATOM 555 O GLU A 38 -3.627 11.607 5.068 1.00 0.00 O ATOM 556 CB GLU A 38 -1.428 11.343 7.370 1.00 0.00 C ATOM 557 CG GLU A 38 -0.721 10.746 8.576 1.00 0.00 C ATOM 558 CD GLU A 38 -0.803 11.638 9.800 1.00 0.00 C ATOM 559 OE1 GLU A 38 -1.806 11.544 10.537 1.00 0.00 O ATOM 560 OE2 GLU A 38 0.138 12.430 10.020 1.00 0.00 O ATOM 0 H GLU A 38 -2.274 9.185 6.373 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.373 11.110 8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.922 11.013 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.339 12.429 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.161 9.776 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.326 10.570 8.329 1.00 0.00 H new ATOM 567 N PRO A 39 -4.213 12.960 6.772 1.00 0.00 N ATOM 568 CA PRO A 39 -4.931 13.924 5.932 1.00 0.00 C ATOM 569 C PRO A 39 -3.991 14.730 5.042 1.00 0.00 C ATOM 570 O PRO A 39 -2.838 14.969 5.396 1.00 0.00 O ATOM 571 CB PRO A 39 -5.617 14.838 6.950 1.00 0.00 C ATOM 572 CG PRO A 39 -4.777 14.738 8.176 1.00 0.00 C ATOM 573 CD PRO A 39 -4.236 13.335 8.195 1.00 0.00 C ATOM 0 HA PRO A 39 -5.621 13.433 5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.669 15.865 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.640 14.517 7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.968 15.468 8.155 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -5.366 14.941 9.070 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.241 13.294 8.638 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.871 12.667 8.777 1.00 0.00 H new ATOM 581 N GLY A 40 -4.493 15.146 3.883 1.00 0.00 N ATOM 582 CA GLY A 40 -3.685 15.921 2.960 1.00 0.00 C ATOM 583 C GLY A 40 -2.293 15.346 2.784 1.00 0.00 C ATOM 584 O GLY A 40 -1.370 16.050 2.375 1.00 0.00 O ATOM 0 H GLY A 40 -5.445 14.960 3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.183 15.961 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.608 16.946 3.322 1.00 0.00 H new ATOM 588 N SER A 41 -2.142 14.062 3.095 1.00 0.00 N ATOM 589 CA SER A 41 -0.851 13.394 2.974 1.00 0.00 C ATOM 590 C SER A 41 -0.728 12.690 1.626 1.00 0.00 C ATOM 591 O SER A 41 -1.720 12.326 0.994 1.00 0.00 O ATOM 592 CB SER A 41 -0.668 12.383 4.108 1.00 0.00 C ATOM 593 OG SER A 41 -1.436 11.214 3.878 1.00 0.00 O ATOM 0 H SER A 41 -2.897 13.464 3.432 1.00 0.00 H new ATOM 0 HA SER A 41 -0.070 14.151 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.386 12.118 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.964 12.836 5.054 1.00 0.00 H new ATOM 0 HG SER A 41 -2.381 11.403 4.058 1.00 0.00 H new ATOM 599 N PRO A 42 0.519 12.494 1.174 1.00 0.00 N ATOM 600 CA PRO A 42 0.804 11.833 -0.103 1.00 0.00 C ATOM 601 C PRO A 42 0.021 10.535 -0.271 1.00 0.00 C ATOM 602 O PRO A 42 -0.267 10.113 -1.390 1.00 0.00 O ATOM 603 CB PRO A 42 2.305 11.546 -0.027 1.00 0.00 C ATOM 604 CG PRO A 42 2.842 12.578 0.904 1.00 0.00 C ATOM 605 CD PRO A 42 1.748 12.903 1.875 1.00 0.00 C ATOM 0 HA PRO A 42 0.517 12.450 -0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.497 10.539 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.772 11.618 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.723 12.205 1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.149 13.469 0.356 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.872 12.361 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.734 13.965 2.120 1.00 0.00 H new ATOM 613 N ALA A 43 -0.320 9.906 0.850 1.00 0.00 N ATOM 614 CA ALA A 43 -1.072 8.658 0.826 1.00 0.00 C ATOM 615 C ALA A 43 -2.546 8.910 0.529 1.00 0.00 C ATOM 616 O ALA A 43 -3.171 8.168 -0.228 1.00 0.00 O ATOM 617 CB ALA A 43 -0.916 7.923 2.150 1.00 0.00 C ATOM 0 H ALA A 43 -0.087 10.241 1.785 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.670 8.035 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.483 6.992 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.137 7.701 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.291 8.549 2.960 1.00 0.00 H new ATOM 623 N GLU A 44 -3.095 9.960 1.131 1.00 0.00 N ATOM 624 CA GLU A 44 -4.497 10.308 0.930 1.00 0.00 C ATOM 625 C GLU A 44 -4.720 10.885 -0.464 1.00 0.00 C ATOM 626 O GLU A 44 -5.688 10.541 -1.142 1.00 0.00 O ATOM 627 CB GLU A 44 -4.953 11.313 1.990 1.00 0.00 C ATOM 628 CG GLU A 44 -6.328 11.899 1.721 1.00 0.00 C ATOM 629 CD GLU A 44 -6.344 12.824 0.520 1.00 0.00 C ATOM 630 OE1 GLU A 44 -5.645 13.859 0.559 1.00 0.00 O ATOM 631 OE2 GLU A 44 -7.054 12.514 -0.459 1.00 0.00 O ATOM 0 H GLU A 44 -2.591 10.584 1.761 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.088 9.397 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.960 10.823 2.964 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.227 12.124 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.039 11.089 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.664 12.447 2.601 1.00 0.00 H new ATOM 638 N ALA A 45 -3.819 11.766 -0.885 1.00 0.00 N ATOM 639 CA ALA A 45 -3.916 12.391 -2.198 1.00 0.00 C ATOM 640 C ALA A 45 -3.777 11.357 -3.310 1.00 0.00 C ATOM 641 O ALA A 45 -4.362 11.502 -4.382 1.00 0.00 O ATOM 642 CB ALA A 45 -2.857 13.474 -2.347 1.00 0.00 C ATOM 0 H ALA A 45 -3.013 12.063 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.902 12.848 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.941 13.932 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.003 14.234 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.867 13.032 -2.236 1.00 0.00 H new ATOM 648 N ALA A 46 -2.998 10.312 -3.046 1.00 0.00 N ATOM 649 CA ALA A 46 -2.784 9.253 -4.024 1.00 0.00 C ATOM 650 C ALA A 46 -4.093 8.553 -4.371 1.00 0.00 C ATOM 651 O ALA A 46 -4.267 8.056 -5.483 1.00 0.00 O ATOM 652 CB ALA A 46 -1.768 8.249 -3.500 1.00 0.00 C ATOM 0 H ALA A 46 -2.505 10.177 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.394 9.707 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.618 7.463 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.821 8.755 -3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.136 7.809 -2.573 1.00 0.00 H new ATOM 658 N GLY A 47 -5.012 8.516 -3.410 1.00 0.00 N ATOM 659 CA GLY A 47 -6.293 7.873 -3.633 1.00 0.00 C ATOM 660 C GLY A 47 -6.463 6.615 -2.805 1.00 0.00 C ATOM 661 O GLY A 47 -7.382 5.828 -3.038 1.00 0.00 O ATOM 0 H GLY A 47 -4.891 8.920 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.094 8.573 -3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.392 7.625 -4.690 1.00 0.00 H new ATOM 665 N LEU A 48 -5.574 6.422 -1.837 1.00 0.00 N ATOM 666 CA LEU A 48 -5.628 5.248 -0.972 1.00 0.00 C ATOM 667 C LEU A 48 -6.970 5.165 -0.251 1.00 0.00 C ATOM 668 O LEU A 48 -7.820 6.044 -0.394 1.00 0.00 O ATOM 669 CB LEU A 48 -4.489 5.290 0.049 1.00 0.00 C ATOM 670 CG LEU A 48 -3.180 4.626 -0.379 1.00 0.00 C ATOM 671 CD1 LEU A 48 -2.232 4.506 0.804 1.00 0.00 C ATOM 672 CD2 LEU A 48 -3.451 3.258 -0.989 1.00 0.00 C ATOM 0 H LEU A 48 -4.807 7.063 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.516 4.361 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.282 6.333 0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.832 4.812 0.967 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.707 5.252 -1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.306 4.031 0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.013 5.499 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.697 3.902 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.508 2.800 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.946 2.623 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.093 3.370 -1.863 1.00 0.00 H new ATOM 684 N LYS A 49 -7.153 4.103 0.526 1.00 0.00 N ATOM 685 CA LYS A 49 -8.389 3.905 1.273 1.00 0.00 C ATOM 686 C LYS A 49 -8.166 2.966 2.455 1.00 0.00 C ATOM 687 O LYS A 49 -7.564 1.903 2.310 1.00 0.00 O ATOM 688 CB LYS A 49 -9.477 3.340 0.358 1.00 0.00 C ATOM 689 CG LYS A 49 -10.087 4.374 -0.572 1.00 0.00 C ATOM 690 CD LYS A 49 -11.429 3.913 -1.116 1.00 0.00 C ATOM 691 CE LYS A 49 -12.096 4.997 -1.948 1.00 0.00 C ATOM 692 NZ LYS A 49 -11.262 5.390 -3.118 1.00 0.00 N ATOM 0 H LYS A 49 -6.460 3.366 0.655 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.712 4.873 1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.055 2.531 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.266 2.905 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.214 5.315 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.405 4.567 -1.400 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.288 3.020 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.082 3.635 -0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.066 4.642 -2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -12.281 5.871 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.811 6.015 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.413 5.891 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.979 4.539 -3.644 1.00 0.00 H new ATOM 706 N ASN A 50 -8.657 3.366 3.624 1.00 0.00 N ATOM 707 CA ASN A 50 -8.512 2.559 4.830 1.00 0.00 C ATOM 708 C ASN A 50 -9.006 1.135 4.595 1.00 0.00 C ATOM 709 O ASN A 50 -9.965 0.914 3.856 1.00 0.00 O ATOM 710 CB ASN A 50 -9.283 3.194 5.989 1.00 0.00 C ATOM 711 CG ASN A 50 -8.729 4.552 6.377 1.00 0.00 C ATOM 712 OD1 ASN A 50 -7.491 4.570 6.857 1.00 0.00 O flip ATOM 713 ND2 ASN A 50 -9.407 5.571 6.247 1.00 0.00 N flip ATOM 0 H ASN A 50 -9.158 4.244 3.761 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.453 2.519 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.332 3.299 5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.247 2.530 6.853 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.354 5.509 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.022 6.477 6.513 1.00 0.00 H new ATOM 720 N ASN A 51 -8.346 0.173 5.230 1.00 0.00 N ATOM 721 CA ASN A 51 -8.718 -1.230 5.091 1.00 0.00 C ATOM 722 C ASN A 51 -8.360 -1.752 3.702 1.00 0.00 C ATOM 723 O ASN A 51 -9.045 -2.619 3.159 1.00 0.00 O ATOM 724 CB ASN A 51 -10.216 -1.410 5.346 1.00 0.00 C ATOM 725 CG ASN A 51 -10.716 -0.545 6.487 1.00 0.00 C ATOM 726 OD1 ASN A 51 -11.536 0.351 6.287 1.00 0.00 O ATOM 727 ND2 ASN A 51 -10.222 -0.811 7.690 1.00 0.00 N ATOM 0 H ASN A 51 -7.550 0.339 5.846 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.159 -1.804 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.768 -1.165 4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.420 -2.457 5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.520 -0.263 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.544 -1.564 7.808 1.00 0.00 H new ATOM 734 N ASP A 52 -7.284 -1.219 3.135 1.00 0.00 N ATOM 735 CA ASP A 52 -6.834 -1.632 1.811 1.00 0.00 C ATOM 736 C ASP A 52 -5.843 -2.788 1.909 1.00 0.00 C ATOM 737 O ASP A 52 -4.857 -2.714 2.643 1.00 0.00 O ATOM 738 CB ASP A 52 -6.191 -0.454 1.077 1.00 0.00 C ATOM 739 CG ASP A 52 -7.203 0.369 0.305 1.00 0.00 C ATOM 740 OD1 ASP A 52 -8.412 0.246 0.593 1.00 0.00 O ATOM 741 OD2 ASP A 52 -6.786 1.138 -0.586 1.00 0.00 O ATOM 0 H ASP A 52 -6.707 -0.500 3.571 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.704 -1.970 1.248 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.681 0.185 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.432 -0.828 0.390 1.00 0.00 H new ATOM 746 N LEU A 53 -6.113 -3.856 1.167 1.00 0.00 N ATOM 747 CA LEU A 53 -5.246 -5.030 1.171 1.00 0.00 C ATOM 748 C LEU A 53 -4.253 -4.977 0.015 1.00 0.00 C ATOM 749 O LEU A 53 -4.631 -5.106 -1.149 1.00 0.00 O ATOM 750 CB LEU A 53 -6.083 -6.307 1.081 1.00 0.00 C ATOM 751 CG LEU A 53 -5.343 -7.615 1.362 1.00 0.00 C ATOM 752 CD1 LEU A 53 -5.075 -7.768 2.851 1.00 0.00 C ATOM 753 CD2 LEU A 53 -6.139 -8.801 0.838 1.00 0.00 C ATOM 0 H LEU A 53 -6.925 -3.934 0.555 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.687 -5.035 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.913 -6.224 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.515 -6.365 0.082 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.385 -7.587 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.548 -8.705 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.464 -6.935 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.021 -7.774 3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.597 -9.724 1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.111 -8.832 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.279 -8.698 -0.238 1.00 0.00 H new ATOM 765 N VAL A 54 -2.979 -4.787 0.344 1.00 0.00 N ATOM 766 CA VAL A 54 -1.930 -4.720 -0.666 1.00 0.00 C ATOM 767 C VAL A 54 -1.357 -6.103 -0.956 1.00 0.00 C ATOM 768 O VAL A 54 -0.904 -6.802 -0.050 1.00 0.00 O ATOM 769 CB VAL A 54 -0.787 -3.785 -0.228 1.00 0.00 C ATOM 770 CG1 VAL A 54 0.249 -3.653 -1.334 1.00 0.00 C ATOM 771 CG2 VAL A 54 -1.336 -2.422 0.165 1.00 0.00 C ATOM 0 H VAL A 54 -2.649 -4.677 1.303 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.388 -4.322 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.298 -4.220 0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.049 -2.989 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.664 -4.635 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.222 -3.241 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.515 -1.774 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.850 -1.977 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.036 -2.537 0.992 1.00 0.00 H new ATOM 781 N VAL A 55 -1.380 -6.493 -2.227 1.00 0.00 N ATOM 782 CA VAL A 55 -0.862 -7.792 -2.638 1.00 0.00 C ATOM 783 C VAL A 55 0.507 -7.655 -3.295 1.00 0.00 C ATOM 784 O VAL A 55 1.342 -8.555 -3.207 1.00 0.00 O ATOM 785 CB VAL A 55 -1.821 -8.495 -3.617 1.00 0.00 C ATOM 786 CG1 VAL A 55 -3.039 -9.030 -2.880 1.00 0.00 C ATOM 787 CG2 VAL A 55 -2.236 -7.545 -4.730 1.00 0.00 C ATOM 0 H VAL A 55 -1.752 -5.927 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.770 -8.396 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.299 -9.339 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.705 -9.523 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.720 -9.746 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.566 -8.205 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.913 -8.058 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.740 -6.680 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.352 -7.216 -5.276 1.00 0.00 H new ATOM 797 N ALA A 56 0.731 -6.522 -3.952 1.00 0.00 N ATOM 798 CA ALA A 56 2.000 -6.265 -4.622 1.00 0.00 C ATOM 799 C ALA A 56 2.449 -4.823 -4.414 1.00 0.00 C ATOM 800 O ALA A 56 1.624 -3.917 -4.292 1.00 0.00 O ATOM 801 CB ALA A 56 1.885 -6.576 -6.107 1.00 0.00 C ATOM 0 H ALA A 56 0.050 -5.767 -4.035 1.00 0.00 H new ATOM 0 HA ALA A 56 2.754 -6.919 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.840 -6.380 -6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.619 -7.625 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.114 -5.947 -6.552 1.00 0.00 H new ATOM 807 N VAL A 57 3.761 -4.616 -4.374 1.00 0.00 N ATOM 808 CA VAL A 57 4.319 -3.283 -4.182 1.00 0.00 C ATOM 809 C VAL A 57 5.485 -3.033 -5.132 1.00 0.00 C ATOM 810 O VAL A 57 6.445 -3.800 -5.168 1.00 0.00 O ATOM 811 CB VAL A 57 4.801 -3.080 -2.732 1.00 0.00 C ATOM 812 CG1 VAL A 57 5.269 -1.649 -2.521 1.00 0.00 C ATOM 813 CG2 VAL A 57 3.696 -3.439 -1.750 1.00 0.00 C ATOM 0 H VAL A 57 4.458 -5.355 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 57 3.521 -2.572 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 57 5.647 -3.743 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.606 -1.524 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.093 -1.432 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.445 -0.964 -2.719 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.053 -3.290 -0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.830 -2.802 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.413 -4.483 -1.887 1.00 0.00 H new ATOM 823 N ASN A 58 5.392 -1.952 -5.901 1.00 0.00 N ATOM 824 CA ASN A 58 6.440 -1.600 -6.853 1.00 0.00 C ATOM 825 C ASN A 58 6.581 -2.673 -7.928 1.00 0.00 C ATOM 826 O ASN A 58 7.666 -2.888 -8.467 1.00 0.00 O ATOM 827 CB ASN A 58 7.774 -1.409 -6.128 1.00 0.00 C ATOM 828 CG ASN A 58 7.672 -0.427 -4.977 1.00 0.00 C ATOM 829 OD1 ASN A 58 7.663 0.862 -5.299 1.00 0.00 O flip ATOM 830 ND2 ASN A 58 7.601 -0.822 -3.813 1.00 0.00 N flip ATOM 0 H ASN A 58 4.603 -1.306 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 58 6.159 -0.663 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.120 -2.371 -5.751 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.523 -1.056 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.611 -1.822 -3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.532 -0.149 -3.049 1.00 0.00 H new ATOM 837 N GLY A 59 5.475 -3.344 -8.236 1.00 0.00 N ATOM 838 CA GLY A 59 5.496 -4.386 -9.246 1.00 0.00 C ATOM 839 C GLY A 59 6.128 -5.668 -8.742 1.00 0.00 C ATOM 840 O GLY A 59 6.768 -6.395 -9.502 1.00 0.00 O ATOM 0 H GLY A 59 4.565 -3.184 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.477 -4.591 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.046 -4.032 -10.118 1.00 0.00 H new ATOM 844 N LYS A 60 5.949 -5.948 -7.455 1.00 0.00 N ATOM 845 CA LYS A 60 6.506 -7.151 -6.849 1.00 0.00 C ATOM 846 C LYS A 60 5.503 -7.796 -5.897 1.00 0.00 C ATOM 847 O LYS A 60 4.750 -7.104 -5.214 1.00 0.00 O ATOM 848 CB LYS A 60 7.797 -6.818 -6.097 1.00 0.00 C ATOM 849 CG LYS A 60 8.912 -6.314 -6.997 1.00 0.00 C ATOM 850 CD LYS A 60 9.807 -7.449 -7.465 1.00 0.00 C ATOM 851 CE LYS A 60 9.058 -8.413 -8.371 1.00 0.00 C ATOM 852 NZ LYS A 60 8.432 -9.524 -7.602 1.00 0.00 N ATOM 0 H LYS A 60 5.422 -5.357 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 60 6.730 -7.859 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.583 -6.063 -5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.141 -7.708 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.482 -5.808 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.509 -5.577 -6.460 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.666 -7.040 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.195 -7.988 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.287 -7.871 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.745 -8.825 -9.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.909 -10.419 -7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.524 -9.336 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.425 -9.594 -7.851 1.00 0.00 H new ATOM 866 N SER A 61 5.501 -9.124 -5.858 1.00 0.00 N ATOM 867 CA SER A 61 4.589 -9.862 -4.991 1.00 0.00 C ATOM 868 C SER A 61 4.999 -9.723 -3.528 1.00 0.00 C ATOM 869 O SER A 61 6.059 -10.199 -3.121 1.00 0.00 O ATOM 870 CB SER A 61 4.559 -11.339 -5.387 1.00 0.00 C ATOM 871 OG SER A 61 5.822 -11.764 -5.870 1.00 0.00 O ATOM 0 H SER A 61 6.120 -9.711 -6.416 1.00 0.00 H new ATOM 0 HA SER A 61 3.591 -9.441 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.273 -11.944 -4.526 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.801 -11.498 -6.154 1.00 0.00 H new ATOM 0 HG SER A 61 5.777 -12.712 -6.115 1.00 0.00 H new ATOM 877 N VAL A 62 4.150 -9.068 -2.742 1.00 0.00 N ATOM 878 CA VAL A 62 4.422 -8.867 -1.324 1.00 0.00 C ATOM 879 C VAL A 62 3.428 -9.635 -0.460 1.00 0.00 C ATOM 880 O VAL A 62 3.668 -9.863 0.725 1.00 0.00 O ATOM 881 CB VAL A 62 4.367 -7.374 -0.948 1.00 0.00 C ATOM 882 CG1 VAL A 62 5.106 -6.536 -1.979 1.00 0.00 C ATOM 883 CG2 VAL A 62 2.923 -6.913 -0.810 1.00 0.00 C ATOM 0 H VAL A 62 3.269 -8.668 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 62 5.428 -9.244 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 62 4.861 -7.241 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.056 -5.484 -1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.149 -6.851 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.644 -6.671 -2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.902 -5.856 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.402 -7.059 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.429 -7.493 -0.031 1.00 0.00 H new ATOM 893 N GLU A 63 2.311 -10.031 -1.062 1.00 0.00 N ATOM 894 CA GLU A 63 1.280 -10.773 -0.346 1.00 0.00 C ATOM 895 C GLU A 63 1.842 -12.072 0.225 1.00 0.00 C ATOM 896 O GLU A 63 1.206 -12.726 1.050 1.00 0.00 O ATOM 897 CB GLU A 63 0.103 -11.080 -1.275 1.00 0.00 C ATOM 898 CG GLU A 63 0.282 -12.353 -2.084 1.00 0.00 C ATOM 899 CD GLU A 63 1.357 -12.225 -3.145 1.00 0.00 C ATOM 900 OE1 GLU A 63 2.461 -11.744 -2.816 1.00 0.00 O ATOM 901 OE2 GLU A 63 1.094 -12.606 -4.305 1.00 0.00 O ATOM 0 H GLU A 63 2.097 -9.851 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 63 0.930 -10.154 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.807 -11.163 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.038 -10.242 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.536 -13.173 -1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.664 -12.612 -2.560 1.00 0.00 H new ATOM 908 N ALA A 64 3.040 -12.438 -0.220 1.00 0.00 N ATOM 909 CA ALA A 64 3.689 -13.656 0.247 1.00 0.00 C ATOM 910 C ALA A 64 4.723 -13.349 1.324 1.00 0.00 C ATOM 911 O ALA A 64 5.178 -14.244 2.037 1.00 0.00 O ATOM 912 CB ALA A 64 4.338 -14.389 -0.918 1.00 0.00 C ATOM 0 H ALA A 64 3.580 -11.908 -0.904 1.00 0.00 H new ATOM 0 HA ALA A 64 2.926 -14.299 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.819 -15.297 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.577 -14.651 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.084 -13.745 -1.383 1.00 0.00 H new ATOM 918 N LEU A 65 5.093 -12.078 1.437 1.00 0.00 N ATOM 919 CA LEU A 65 6.075 -11.651 2.427 1.00 0.00 C ATOM 920 C LEU A 65 5.411 -11.387 3.775 1.00 0.00 C ATOM 921 O LEU A 65 4.195 -11.521 3.915 1.00 0.00 O ATOM 922 CB LEU A 65 6.800 -10.393 1.947 1.00 0.00 C ATOM 923 CG LEU A 65 8.017 -10.620 1.049 1.00 0.00 C ATOM 924 CD1 LEU A 65 8.487 -9.306 0.445 1.00 0.00 C ATOM 925 CD2 LEU A 65 9.141 -11.281 1.832 1.00 0.00 C ATOM 0 H LEU A 65 4.727 -11.325 0.855 1.00 0.00 H new ATOM 0 HA LEU A 65 6.801 -12.455 2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.086 -9.771 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.120 -9.826 2.822 1.00 0.00 H new ATOM 0 HG LEU A 65 7.726 -11.286 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.354 -9.487 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.684 -8.872 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.761 -8.616 1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.999 -11.435 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.430 -10.640 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.800 -12.243 2.216 1.00 0.00 H new ATOM 937 N ASP A 66 6.216 -11.009 4.761 1.00 0.00 N ATOM 938 CA ASP A 66 5.706 -10.723 6.097 1.00 0.00 C ATOM 939 C ASP A 66 5.735 -9.224 6.379 1.00 0.00 C ATOM 940 O ASP A 66 6.225 -8.438 5.568 1.00 0.00 O ATOM 941 CB ASP A 66 6.527 -11.468 7.151 1.00 0.00 C ATOM 942 CG ASP A 66 7.929 -10.909 7.295 1.00 0.00 C ATOM 943 OD1 ASP A 66 8.782 -11.214 6.436 1.00 0.00 O ATOM 944 OD2 ASP A 66 8.172 -10.164 8.268 1.00 0.00 O ATOM 0 H ASP A 66 7.224 -10.893 4.661 1.00 0.00 H new ATOM 0 HA ASP A 66 4.672 -11.065 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.016 -11.411 8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.585 -12.523 6.883 1.00 0.00 H new ATOM 949 N HIS A 67 5.205 -8.834 7.534 1.00 0.00 N ATOM 950 CA HIS A 67 5.169 -7.429 7.924 1.00 0.00 C ATOM 951 C HIS A 67 6.436 -6.708 7.472 1.00 0.00 C ATOM 952 O HIS A 67 6.370 -5.679 6.798 1.00 0.00 O ATOM 953 CB HIS A 67 5.008 -7.301 9.439 1.00 0.00 C ATOM 954 CG HIS A 67 5.118 -5.893 9.936 1.00 0.00 C ATOM 955 ND1 HIS A 67 6.053 -4.942 9.702 1.00 0.00 N flip ATOM 956 CD2 HIS A 67 4.195 -5.320 10.784 1.00 0.00 C flip ATOM 957 CE1 HIS A 67 5.679 -3.822 10.404 1.00 0.00 C flip ATOM 958 NE2 HIS A 67 4.555 -4.076 11.049 1.00 0.00 N flip ATOM 0 H HIS A 67 4.794 -9.471 8.216 1.00 0.00 H new ATOM 0 HA HIS A 67 4.313 -6.964 7.436 1.00 0.00 H new ATOM 0 HB2 HIS A 67 4.038 -7.705 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 67 5.767 -7.911 9.930 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.315 -5.811 11.172 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.217 -2.886 10.425 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.051 -3.424 11.649 1.00 0.00 H new ATOM 967 N ASP A 68 7.587 -7.253 7.849 1.00 0.00 N ATOM 968 CA ASP A 68 8.869 -6.662 7.483 1.00 0.00 C ATOM 969 C ASP A 68 9.080 -6.712 5.973 1.00 0.00 C ATOM 970 O ASP A 68 9.335 -5.691 5.338 1.00 0.00 O ATOM 971 CB ASP A 68 10.012 -7.389 8.195 1.00 0.00 C ATOM 972 CG ASP A 68 9.912 -7.287 9.704 1.00 0.00 C ATOM 973 OD1 ASP A 68 8.779 -7.169 10.217 1.00 0.00 O ATOM 974 OD2 ASP A 68 10.966 -7.327 10.372 1.00 0.00 O ATOM 0 H ASP A 68 7.659 -8.103 8.408 1.00 0.00 H new ATOM 0 HA ASP A 68 8.862 -5.618 7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.008 -8.439 7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.964 -6.971 7.868 1.00 0.00 H new ATOM 979 N GLY A 69 8.971 -7.910 5.405 1.00 0.00 N ATOM 980 CA GLY A 69 9.154 -8.071 3.975 1.00 0.00 C ATOM 981 C GLY A 69 8.410 -7.022 3.173 1.00 0.00 C ATOM 982 O GLY A 69 9.010 -6.292 2.384 1.00 0.00 O ATOM 0 H GLY A 69 8.759 -8.771 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.217 -8.017 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.811 -9.062 3.677 1.00 0.00 H new ATOM 986 N VAL A 70 7.098 -6.946 3.374 1.00 0.00 N ATOM 987 CA VAL A 70 6.270 -5.979 2.663 1.00 0.00 C ATOM 988 C VAL A 70 6.707 -4.551 2.971 1.00 0.00 C ATOM 989 O VAL A 70 6.991 -3.768 2.064 1.00 0.00 O ATOM 990 CB VAL A 70 4.782 -6.139 3.027 1.00 0.00 C ATOM 991 CG1 VAL A 70 3.904 -5.427 2.009 1.00 0.00 C ATOM 992 CG2 VAL A 70 4.413 -7.611 3.126 1.00 0.00 C ATOM 0 H VAL A 70 6.586 -7.543 4.024 1.00 0.00 H new ATOM 0 HA VAL A 70 6.398 -6.174 1.598 1.00 0.00 H new ATOM 0 HB VAL A 70 4.612 -5.680 4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.856 -5.551 2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.152 -4.366 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.074 -5.854 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.358 -7.705 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.597 -8.097 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.019 -8.087 3.897 1.00 0.00 H new ATOM 1002 N VAL A 71 6.760 -4.218 4.257 1.00 0.00 N ATOM 1003 CA VAL A 71 7.164 -2.884 4.685 1.00 0.00 C ATOM 1004 C VAL A 71 8.537 -2.521 4.131 1.00 0.00 C ATOM 1005 O VAL A 71 8.855 -1.346 3.957 1.00 0.00 O ATOM 1006 CB VAL A 71 7.196 -2.774 6.221 1.00 0.00 C ATOM 1007 CG1 VAL A 71 7.834 -1.461 6.648 1.00 0.00 C ATOM 1008 CG2 VAL A 71 5.794 -2.906 6.794 1.00 0.00 C ATOM 0 H VAL A 71 6.528 -4.854 5.020 1.00 0.00 H new ATOM 0 HA VAL A 71 6.423 -2.187 4.293 1.00 0.00 H new ATOM 0 HB VAL A 71 7.802 -3.590 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.848 -1.400 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.855 -1.412 6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.257 -0.628 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.836 -2.826 7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.162 -2.112 6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.378 -3.875 6.517 1.00 0.00 H new ATOM 1018 N GLU A 72 9.346 -3.540 3.855 1.00 0.00 N ATOM 1019 CA GLU A 72 10.686 -3.327 3.321 1.00 0.00 C ATOM 1020 C GLU A 72 10.623 -2.760 1.905 1.00 0.00 C ATOM 1021 O GLU A 72 11.321 -1.800 1.579 1.00 0.00 O ATOM 1022 CB GLU A 72 11.473 -4.639 3.322 1.00 0.00 C ATOM 1023 CG GLU A 72 12.976 -4.447 3.208 1.00 0.00 C ATOM 1024 CD GLU A 72 13.601 -3.957 4.500 1.00 0.00 C ATOM 1025 OE1 GLU A 72 13.700 -4.757 5.453 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.991 -2.771 4.557 1.00 0.00 O ATOM 0 H GLU A 72 9.097 -4.520 3.992 1.00 0.00 H new ATOM 0 HA GLU A 72 11.195 -2.606 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.253 -5.184 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.130 -5.259 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.438 -5.391 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.188 -3.733 2.412 1.00 0.00 H new ATOM 1033 N MET A 73 9.782 -3.361 1.070 1.00 0.00 N ATOM 1034 CA MET A 73 9.628 -2.915 -0.310 1.00 0.00 C ATOM 1035 C MET A 73 9.437 -1.403 -0.375 1.00 0.00 C ATOM 1036 O MET A 73 10.138 -0.712 -1.115 1.00 0.00 O ATOM 1037 CB MET A 73 8.439 -3.620 -0.966 1.00 0.00 C ATOM 1038 CG MET A 73 8.653 -5.111 -1.171 1.00 0.00 C ATOM 1039 SD MET A 73 9.858 -5.467 -2.464 1.00 0.00 S ATOM 1040 CE MET A 73 9.440 -7.164 -2.859 1.00 0.00 C ATOM 0 H MET A 73 9.197 -4.157 1.324 1.00 0.00 H new ATOM 0 HA MET A 73 10.538 -3.172 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 73 7.553 -3.470 -0.349 1.00 0.00 H new ATOM 0 HB3 MET A 73 8.238 -3.154 -1.931 1.00 0.00 H new ATOM 0 HG2 MET A 73 8.987 -5.558 -0.235 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.702 -5.579 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 73 10.101 -7.528 -3.646 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.558 -7.784 -1.970 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.406 -7.214 -3.201 1.00 0.00 H new ATOM 1050 N ILE A 74 8.486 -0.898 0.402 1.00 0.00 N ATOM 1051 CA ILE A 74 8.205 0.532 0.433 1.00 0.00 C ATOM 1052 C ILE A 74 9.456 1.331 0.785 1.00 0.00 C ATOM 1053 O ILE A 74 9.660 2.437 0.284 1.00 0.00 O ATOM 1054 CB ILE A 74 7.094 0.866 1.445 1.00 0.00 C ATOM 1055 CG1 ILE A 74 5.789 0.171 1.052 1.00 0.00 C ATOM 1056 CG2 ILE A 74 6.893 2.372 1.533 1.00 0.00 C ATOM 1057 CD1 ILE A 74 5.648 -1.220 1.630 1.00 0.00 C ATOM 0 H ILE A 74 7.897 -1.457 1.019 1.00 0.00 H new ATOM 0 HA ILE A 74 7.869 0.809 -0.566 1.00 0.00 H new ATOM 0 HB ILE A 74 7.396 0.501 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.948 0.780 1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.731 0.112 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.104 2.592 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.821 2.845 1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.610 2.759 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.700 -1.652 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.469 -1.845 1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.674 -1.166 2.718 1.00 0.00 H new ATOM 1069 N ARG A 75 10.291 0.762 1.648 1.00 0.00 N ATOM 1070 CA ARG A 75 11.522 1.421 2.067 1.00 0.00 C ATOM 1071 C ARG A 75 12.549 1.422 0.939 1.00 0.00 C ATOM 1072 O ARG A 75 13.422 2.288 0.879 1.00 0.00 O ATOM 1073 CB ARG A 75 12.103 0.726 3.300 1.00 0.00 C ATOM 1074 CG ARG A 75 11.237 0.861 4.541 1.00 0.00 C ATOM 1075 CD ARG A 75 12.042 0.634 5.811 1.00 0.00 C ATOM 1076 NE ARG A 75 12.095 -0.778 6.180 1.00 0.00 N ATOM 1077 CZ ARG A 75 12.414 -1.208 7.396 1.00 0.00 C ATOM 1078 NH1 ARG A 75 12.707 -0.340 8.354 1.00 0.00 N ATOM 1079 NH2 ARG A 75 12.440 -2.509 7.655 1.00 0.00 N ATOM 0 H ARG A 75 10.138 -0.154 2.071 1.00 0.00 H new ATOM 0 HA ARG A 75 11.284 2.454 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 75 12.242 -0.332 3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 75 13.089 1.140 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.788 1.854 4.566 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.419 0.142 4.495 1.00 0.00 H new ATOM 0 HD2 ARG A 75 13.055 1.010 5.670 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.600 1.206 6.627 1.00 0.00 H new ATOM 0 HE ARG A 75 11.875 -1.472 5.465 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.688 0.661 8.159 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.952 -0.673 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.215 -3.180 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.685 -2.838 8.589 1.00 0.00 H new ATOM 1093 N LYS A 76 12.439 0.445 0.045 1.00 0.00 N ATOM 1094 CA LYS A 76 13.357 0.332 -1.082 1.00 0.00 C ATOM 1095 C LYS A 76 13.012 1.346 -2.169 1.00 0.00 C ATOM 1096 O LYS A 76 13.898 1.917 -2.802 1.00 0.00 O ATOM 1097 CB LYS A 76 13.316 -1.085 -1.660 1.00 0.00 C ATOM 1098 CG LYS A 76 13.640 -2.166 -0.644 1.00 0.00 C ATOM 1099 CD LYS A 76 14.067 -3.458 -1.321 1.00 0.00 C ATOM 1100 CE LYS A 76 12.874 -4.354 -1.612 1.00 0.00 C ATOM 1101 NZ LYS A 76 13.295 -5.694 -2.108 1.00 0.00 N ATOM 0 H LYS A 76 11.723 -0.280 0.079 1.00 0.00 H new ATOM 0 HA LYS A 76 14.364 0.541 -0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.324 -1.271 -2.073 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.023 -1.152 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.436 -1.820 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.767 -2.353 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.587 -3.228 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.775 -3.988 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.279 -4.472 -0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.234 -3.877 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.459 -6.226 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.952 -5.578 -2.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.769 -6.214 -1.342 1.00 0.00 H new ATOM 1115 N GLY A 77 11.717 1.565 -2.377 1.00 0.00 N ATOM 1116 CA GLY A 77 11.278 2.511 -3.386 1.00 0.00 C ATOM 1117 C GLY A 77 11.996 3.842 -3.284 1.00 0.00 C ATOM 1118 O GLY A 77 12.127 4.562 -4.273 1.00 0.00 O ATOM 0 H GLY A 77 10.965 1.104 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.446 2.086 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.205 2.672 -3.286 1.00 0.00 H new ATOM 1122 N GLY A 78 12.461 4.172 -2.083 1.00 0.00 N ATOM 1123 CA GLY A 78 13.162 5.426 -1.877 1.00 0.00 C ATOM 1124 C GLY A 78 12.219 6.576 -1.587 1.00 0.00 C ATOM 1125 O GLY A 78 11.806 6.776 -0.444 1.00 0.00 O ATOM 0 H GLY A 78 12.365 3.593 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.861 5.316 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.752 5.659 -2.763 1.00 0.00 H new ATOM 1129 N ASP A 79 11.878 7.336 -2.622 1.00 0.00 N ATOM 1130 CA ASP A 79 10.978 8.474 -2.472 1.00 0.00 C ATOM 1131 C ASP A 79 9.542 8.077 -2.798 1.00 0.00 C ATOM 1132 O ASP A 79 8.650 8.192 -1.958 1.00 0.00 O ATOM 1133 CB ASP A 79 11.420 9.624 -3.378 1.00 0.00 C ATOM 1134 CG ASP A 79 12.419 10.542 -2.702 1.00 0.00 C ATOM 1135 OD1 ASP A 79 12.397 10.629 -1.456 1.00 0.00 O ATOM 1136 OD2 ASP A 79 13.224 11.173 -3.418 1.00 0.00 O ATOM 0 H ASP A 79 12.211 7.185 -3.574 1.00 0.00 H new ATOM 0 HA ASP A 79 11.019 8.804 -1.434 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.862 9.217 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.546 10.202 -3.680 1.00 0.00 H new ATOM 1141 N GLN A 80 9.326 7.610 -4.024 1.00 0.00 N ATOM 1142 CA GLN A 80 7.997 7.197 -4.460 1.00 0.00 C ATOM 1143 C GLN A 80 7.899 5.678 -4.546 1.00 0.00 C ATOM 1144 O GLN A 80 8.901 4.990 -4.743 1.00 0.00 O ATOM 1145 CB GLN A 80 7.668 7.819 -5.819 1.00 0.00 C ATOM 1146 CG GLN A 80 8.429 7.191 -6.976 1.00 0.00 C ATOM 1147 CD GLN A 80 7.794 7.486 -8.320 1.00 0.00 C ATOM 1148 OE1 GLN A 80 7.318 6.581 -9.006 1.00 0.00 O ATOM 1149 NE2 GLN A 80 7.784 8.757 -8.705 1.00 0.00 N ATOM 0 H GLN A 80 10.053 7.508 -4.732 1.00 0.00 H new ATOM 0 HA GLN A 80 7.275 7.547 -3.723 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.598 7.723 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.891 8.885 -5.785 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.455 7.560 -6.974 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.478 6.112 -6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.190 9.475 -8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.370 9.015 -9.601 1.00 0.00 H new ATOM 1158 N THR A 81 6.684 5.159 -4.397 1.00 0.00 N ATOM 1159 CA THR A 81 6.455 3.721 -4.456 1.00 0.00 C ATOM 1160 C THR A 81 5.062 3.407 -4.990 1.00 0.00 C ATOM 1161 O THR A 81 4.143 4.218 -4.873 1.00 0.00 O ATOM 1162 CB THR A 81 6.620 3.068 -3.070 1.00 0.00 C ATOM 1163 OG1 THR A 81 6.176 1.708 -3.113 1.00 0.00 O ATOM 1164 CG2 THR A 81 5.833 3.831 -2.016 1.00 0.00 C ATOM 0 H THR A 81 5.843 5.714 -4.235 1.00 0.00 H new ATOM 0 HA THR A 81 7.203 3.310 -5.135 1.00 0.00 H new ATOM 0 HB THR A 81 7.676 3.096 -2.803 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.433 1.307 -3.970 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.965 3.352 -1.046 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.194 4.858 -1.965 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.776 3.831 -2.280 1.00 0.00 H new ATOM 1172 N THR A 82 4.911 2.224 -5.578 1.00 0.00 N ATOM 1173 CA THR A 82 3.630 1.803 -6.131 1.00 0.00 C ATOM 1174 C THR A 82 2.961 0.763 -5.239 1.00 0.00 C ATOM 1175 O THR A 82 3.595 -0.202 -4.810 1.00 0.00 O ATOM 1176 CB THR A 82 3.794 1.220 -7.547 1.00 0.00 C ATOM 1177 OG1 THR A 82 4.444 2.171 -8.397 1.00 0.00 O ATOM 1178 CG2 THR A 82 2.443 0.844 -8.137 1.00 0.00 C ATOM 0 H THR A 82 5.661 1.540 -5.683 1.00 0.00 H new ATOM 0 HA THR A 82 3.001 2.691 -6.183 1.00 0.00 H new ATOM 0 HB THR A 82 4.405 0.320 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.546 1.791 -9.295 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.584 0.435 -9.137 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.964 0.097 -7.503 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.811 1.730 -8.194 1.00 0.00 H new ATOM 1186 N LEU A 83 1.678 0.965 -4.963 1.00 0.00 N ATOM 1187 CA LEU A 83 0.922 0.044 -4.122 1.00 0.00 C ATOM 1188 C LEU A 83 -0.228 -0.587 -4.902 1.00 0.00 C ATOM 1189 O LEU A 83 -1.024 0.113 -5.529 1.00 0.00 O ATOM 1190 CB LEU A 83 0.379 0.773 -2.892 1.00 0.00 C ATOM 1191 CG LEU A 83 1.218 1.946 -2.383 1.00 0.00 C ATOM 1192 CD1 LEU A 83 0.572 2.572 -1.157 1.00 0.00 C ATOM 1193 CD2 LEU A 83 2.636 1.491 -2.068 1.00 0.00 C ATOM 0 H LEU A 83 1.139 1.759 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 83 1.596 -0.749 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.621 1.141 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.273 0.050 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 83 1.266 2.701 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.183 3.405 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.423 2.935 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.492 1.826 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.218 2.339 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.608 0.717 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.099 1.091 -2.970 1.00 0.00 H new ATOM 1205 N LEU A 84 -0.311 -1.912 -4.855 1.00 0.00 N ATOM 1206 CA LEU A 84 -1.365 -2.637 -5.556 1.00 0.00 C ATOM 1207 C LEU A 84 -2.352 -3.250 -4.568 1.00 0.00 C ATOM 1208 O LEU A 84 -2.083 -4.293 -3.971 1.00 0.00 O ATOM 1209 CB LEU A 84 -0.760 -3.732 -6.435 1.00 0.00 C ATOM 1210 CG LEU A 84 -1.753 -4.580 -7.231 1.00 0.00 C ATOM 1211 CD1 LEU A 84 -2.700 -3.690 -8.022 1.00 0.00 C ATOM 1212 CD2 LEU A 84 -1.017 -5.535 -8.159 1.00 0.00 C ATOM 0 H LEU A 84 0.338 -2.506 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.902 -1.929 -6.187 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.068 -3.266 -7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.173 -4.396 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.342 -5.170 -6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.400 -4.310 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.253 -3.048 -7.337 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.127 -3.073 -8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.740 -6.130 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.402 -4.964 -8.855 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.380 -6.196 -7.571 1.00 0.00 H new ATOM 1224 N VAL A 85 -3.498 -2.597 -4.401 1.00 0.00 N ATOM 1225 CA VAL A 85 -4.528 -3.079 -3.489 1.00 0.00 C ATOM 1226 C VAL A 85 -5.776 -3.513 -4.248 1.00 0.00 C ATOM 1227 O VAL A 85 -5.975 -3.137 -5.405 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.915 -2.001 -2.459 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -3.674 -1.300 -1.928 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -5.881 -1.000 -3.075 1.00 0.00 C ATOM 0 H VAL A 85 -3.736 -1.732 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.109 -3.938 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.415 -2.486 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.967 -0.542 -1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.021 -2.029 -1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.143 -0.826 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.144 -0.245 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.409 -0.519 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.783 -1.518 -3.401 1.00 0.00 H new ATOM 1240 N LEU A 86 -6.616 -4.305 -3.592 1.00 0.00 N ATOM 1241 CA LEU A 86 -7.848 -4.790 -4.205 1.00 0.00 C ATOM 1242 C LEU A 86 -9.062 -4.058 -3.641 1.00 0.00 C ATOM 1243 O LEU A 86 -9.044 -3.592 -2.502 1.00 0.00 O ATOM 1244 CB LEU A 86 -7.995 -6.296 -3.978 1.00 0.00 C ATOM 1245 CG LEU A 86 -7.391 -7.199 -5.054 1.00 0.00 C ATOM 1246 CD1 LEU A 86 -5.873 -7.127 -5.021 1.00 0.00 C ATOM 1247 CD2 LEU A 86 -7.863 -8.634 -4.872 1.00 0.00 C ATOM 0 H LEU A 86 -6.467 -4.625 -2.635 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.794 -4.594 -5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.535 -6.546 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.056 -6.528 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.729 -6.847 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.461 -7.776 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.553 -6.101 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.514 -7.453 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.423 -9.263 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.555 -8.997 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.950 -8.672 -4.947 1.00 0.00 H new