USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 696 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 15 SER OG : rot -57:sc= 0.802 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0112 X(o=1.5,f=1.1) USER MOD Set 1.3: A 56 SER OG : rot 110:sc= 0.716 USER MOD Set 1.4: A 87 ASN :FLIP amide:sc= 0 F(o=0.85,f=1.5) USER MOD Set 1.5: A 89 MET CE :methyl 146:sc= 0 (180deg=-0.196) USER MOD Set 1.6: A 97 GLN :FLIP amide:sc= -0.0475 F(o=-0.45!,f=1.5) USER MOD Set 2.1: A 34 TYR OH : rot 69:sc= 0.822 USER MOD Set 2.2: A 40 SER OG : rot -9:sc= 0.669 USER MOD Set 2.3: A 51 GLN : amide:sc= -0.578 X(o=-0.64,f=-0.96) USER MOD Set 2.4: A 53 ASN : amide:sc= -1.56 K(o=-0.64,f=-2.6!) USER MOD Set 3.1: A 10 ASN :FLIP amide:sc= 0.521 F(o=0.52,f=1.1) USER MOD Set 3.2: A 62 SER OG : rot 69:sc= 0.551 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.783 USER MOD Single : A 12 TYR OH : rot -125:sc= 0.669 USER MOD Single : A 18 TYR OH : rot -88:sc= 0.503 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 84:sc= 0.933 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0644 USER MOD Single : A 31 SER OG : rot 83:sc= 1.23 USER MOD Single : A 33 MET CE :methyl -167:sc= -1.95 (180deg=-2.5) USER MOD Single : A 36 MET CE :methyl -176:sc= -1.21 (180deg=-1.3) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 61 THR OG1 : rot 147:sc= -2.68! USER MOD Single : A 66 SER OG : rot -41:sc= 0.686 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 1.42 (180deg=1.04) USER MOD Single : A 76 CYS SG : rot 180:sc= -2.43! USER MOD Single : A 90 THR OG1 : rot 124:sc= 0.8 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 122 N PHE A 9 -0.572 -3.088 -22.156 1.00 0.00 N ATOM 123 CA PHE A 9 -0.419 -2.188 -23.265 1.00 0.00 C ATOM 124 C PHE A 9 -1.057 -2.799 -24.463 1.00 0.00 C ATOM 125 O PHE A 9 -0.666 -3.885 -24.905 1.00 0.00 O ATOM 126 CB PHE A 9 1.051 -1.814 -23.506 1.00 0.00 C ATOM 127 CG PHE A 9 1.563 -0.821 -22.503 1.00 0.00 C ATOM 128 CD1 PHE A 9 1.771 -1.181 -21.186 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.806 0.489 -22.880 1.00 0.00 C ATOM 130 CE1 PHE A 9 2.215 -0.259 -20.270 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.249 1.415 -21.962 1.00 0.00 C ATOM 132 CZ PHE A 9 2.452 1.041 -20.657 1.00 0.00 C ATOM 0 HA PHE A 9 -0.920 -1.246 -23.040 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.663 -2.715 -23.466 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.158 -1.401 -24.509 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.583 -2.197 -20.873 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.646 0.788 -23.905 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.379 -0.554 -19.244 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.436 2.434 -22.268 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.797 1.766 -19.934 1.00 0.00 H new ATOM 142 N ASN A 10 -2.036 -2.125 -24.979 1.00 0.00 N ATOM 143 CA ASN A 10 -2.857 -2.657 -26.042 1.00 0.00 C ATOM 144 C ASN A 10 -2.254 -2.323 -27.372 1.00 0.00 C ATOM 145 O ASN A 10 -1.101 -1.930 -27.442 1.00 0.00 O ATOM 146 CB ASN A 10 -4.284 -2.111 -25.917 1.00 0.00 C ATOM 147 CG ASN A 10 -5.009 -2.674 -24.712 1.00 0.00 C ATOM 148 OD1 ASN A 10 -4.777 -2.100 -23.564 1.00 0.00 O flip ATOM 149 ND2 ASN A 10 -5.738 -3.656 -24.819 1.00 0.00 N flip ATOM 0 H ASN A 10 -2.297 -1.185 -24.680 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.903 -3.743 -25.961 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.250 -1.024 -25.843 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.844 -2.352 -26.821 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.895 -4.077 -25.735 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.187 -4.051 -23.992 1.00 0.00 H new ATOM 156 N THR A 11 -2.974 -2.530 -28.423 1.00 0.00 N ATOM 157 CA THR A 11 -2.472 -2.199 -29.695 1.00 0.00 C ATOM 158 C THR A 11 -3.604 -1.619 -30.562 1.00 0.00 C ATOM 159 O THR A 11 -4.683 -2.224 -30.733 1.00 0.00 O ATOM 160 CB THR A 11 -1.734 -3.417 -30.333 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.046 -3.037 -31.518 1.00 0.00 O ATOM 162 CG2 THR A 11 -2.672 -4.588 -30.619 1.00 0.00 C ATOM 0 H THR A 11 -3.913 -2.928 -28.417 1.00 0.00 H new ATOM 0 HA THR A 11 -1.716 -1.419 -29.612 1.00 0.00 H new ATOM 0 HB THR A 11 -1.007 -3.756 -29.595 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.591 -3.818 -31.897 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.106 -5.408 -31.062 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.129 -4.924 -29.688 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.451 -4.269 -31.311 1.00 0.00 H new ATOM 170 N TYR A 12 -3.390 -0.422 -31.022 1.00 0.00 N ATOM 171 CA TYR A 12 -4.359 0.295 -31.805 1.00 0.00 C ATOM 172 C TYR A 12 -3.806 0.632 -33.147 1.00 0.00 C ATOM 173 O TYR A 12 -2.608 0.590 -33.352 1.00 0.00 O ATOM 174 CB TYR A 12 -4.758 1.599 -31.137 1.00 0.00 C ATOM 175 CG TYR A 12 -5.581 1.492 -29.885 1.00 0.00 C ATOM 176 CD1 TYR A 12 -6.976 1.458 -29.939 1.00 0.00 C ATOM 177 CD2 TYR A 12 -4.971 1.494 -28.643 1.00 0.00 C ATOM 178 CE1 TYR A 12 -7.722 1.423 -28.774 1.00 0.00 C ATOM 179 CE2 TYR A 12 -5.707 1.472 -27.486 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.077 1.437 -27.552 1.00 0.00 C ATOM 181 OH TYR A 12 -7.806 1.440 -26.386 1.00 0.00 O ATOM 0 H TYR A 12 -2.525 0.094 -30.863 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.228 -0.356 -31.898 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.849 2.152 -30.900 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.315 2.195 -31.860 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.476 1.459 -30.896 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.893 1.513 -28.584 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.800 1.385 -28.820 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.210 1.482 -26.527 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.535 2.202 -25.833 1.00 0.00 H new ATOM 191 N VAL A 13 -4.687 0.988 -34.019 1.00 0.00 N ATOM 192 CA VAL A 13 -4.394 1.428 -35.351 1.00 0.00 C ATOM 193 C VAL A 13 -5.097 2.762 -35.600 1.00 0.00 C ATOM 194 O VAL A 13 -6.233 2.963 -35.168 1.00 0.00 O ATOM 195 CB VAL A 13 -4.812 0.359 -36.422 1.00 0.00 C ATOM 196 CG1 VAL A 13 -4.912 0.969 -37.801 1.00 0.00 C ATOM 197 CG2 VAL A 13 -3.772 -0.724 -36.478 1.00 0.00 C ATOM 0 H VAL A 13 -5.687 0.981 -33.816 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.317 1.561 -35.449 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.785 -0.038 -36.130 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.203 0.202 -38.518 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.660 1.762 -37.795 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.945 1.384 -38.086 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.060 -1.467 -37.221 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.810 -0.291 -36.752 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.690 -1.201 -35.501 1.00 0.00 H new ATOM 207 N VAL A 14 -4.425 3.665 -36.255 1.00 0.00 N ATOM 208 CA VAL A 14 -4.995 4.935 -36.565 1.00 0.00 C ATOM 209 C VAL A 14 -5.029 5.138 -38.049 1.00 0.00 C ATOM 210 O VAL A 14 -4.036 4.967 -38.730 1.00 0.00 O ATOM 211 CB VAL A 14 -4.287 6.117 -35.857 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.785 6.115 -36.109 1.00 0.00 C ATOM 213 CG2 VAL A 14 -4.910 7.450 -36.281 1.00 0.00 C ATOM 0 H VAL A 14 -3.469 3.537 -36.587 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.014 4.925 -36.179 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.433 5.990 -34.784 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.329 6.960 -35.594 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.354 5.186 -35.734 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.596 6.197 -37.179 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.399 8.268 -35.773 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.808 7.572 -37.359 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.966 7.460 -36.013 1.00 0.00 H new ATOM 223 N SER A 15 -6.162 5.467 -38.526 1.00 0.00 N ATOM 224 CA SER A 15 -6.382 5.681 -39.911 1.00 0.00 C ATOM 225 C SER A 15 -6.541 7.173 -40.159 1.00 0.00 C ATOM 226 O SER A 15 -7.498 7.787 -39.681 1.00 0.00 O ATOM 227 CB SER A 15 -7.624 4.886 -40.311 1.00 0.00 C ATOM 228 OG SER A 15 -7.400 3.500 -40.074 1.00 0.00 O ATOM 0 H SER A 15 -6.994 5.601 -37.951 1.00 0.00 H new ATOM 0 HA SER A 15 -5.543 5.340 -40.518 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.487 5.228 -39.740 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.852 5.053 -41.364 1.00 0.00 H new ATOM 0 HG SER A 15 -6.609 3.206 -40.573 1.00 0.00 H new ATOM 234 N PHE A 16 -5.565 7.769 -40.816 1.00 0.00 N ATOM 235 CA PHE A 16 -5.602 9.186 -41.093 1.00 0.00 C ATOM 236 C PHE A 16 -6.236 9.484 -42.423 1.00 0.00 C ATOM 237 O PHE A 16 -6.030 8.771 -43.395 1.00 0.00 O ATOM 238 CB PHE A 16 -4.214 9.820 -41.030 1.00 0.00 C ATOM 239 CG PHE A 16 -3.711 10.040 -39.646 1.00 0.00 C ATOM 240 CD1 PHE A 16 -3.988 11.227 -38.995 1.00 0.00 C ATOM 241 CD2 PHE A 16 -2.966 9.079 -38.991 1.00 0.00 C ATOM 242 CE1 PHE A 16 -3.538 11.451 -37.722 1.00 0.00 C ATOM 243 CE2 PHE A 16 -2.513 9.304 -37.713 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.800 10.489 -37.078 1.00 0.00 C ATOM 0 H PHE A 16 -4.736 7.290 -41.167 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.218 9.628 -40.310 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.510 9.182 -41.564 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.238 10.776 -41.553 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.567 11.988 -39.497 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.738 8.146 -39.485 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.763 12.383 -37.225 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.931 8.548 -37.207 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.445 10.663 -36.073 1.00 0.00 H new ATOM 254 N ASP A 17 -7.017 10.515 -42.455 1.00 0.00 N ATOM 255 CA ASP A 17 -7.652 10.966 -43.673 1.00 0.00 C ATOM 256 C ASP A 17 -7.213 12.331 -43.929 1.00 0.00 C ATOM 257 O ASP A 17 -7.300 13.194 -43.032 1.00 0.00 O ATOM 258 CB ASP A 17 -9.125 11.009 -43.526 1.00 0.00 C ATOM 259 CG ASP A 17 -9.848 11.215 -44.834 1.00 0.00 C ATOM 260 OD1 ASP A 17 -10.021 10.232 -45.580 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.276 12.351 -45.126 1.00 0.00 O ATOM 0 H ASP A 17 -7.241 11.079 -41.635 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.385 10.280 -44.477 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.466 10.078 -43.073 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.392 11.813 -42.840 1.00 0.00 H new ATOM 266 N TYR A 18 -6.783 12.553 -45.107 1.00 0.00 N ATOM 267 CA TYR A 18 -6.252 13.813 -45.504 1.00 0.00 C ATOM 268 C TYR A 18 -5.955 13.762 -46.987 1.00 0.00 C ATOM 269 O TYR A 18 -5.591 12.697 -47.506 1.00 0.00 O ATOM 270 CB TYR A 18 -4.971 14.118 -44.686 1.00 0.00 C ATOM 271 CG TYR A 18 -3.794 13.168 -44.932 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.664 11.994 -44.202 1.00 0.00 C ATOM 273 CD2 TYR A 18 -2.827 13.443 -45.902 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.625 11.121 -44.430 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.782 12.576 -46.131 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.688 11.415 -45.396 1.00 0.00 C ATOM 277 OH TYR A 18 -0.660 10.531 -45.642 1.00 0.00 O ATOM 0 H TYR A 18 -6.786 11.852 -45.848 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.970 14.611 -45.312 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.649 15.135 -44.912 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.222 14.092 -43.626 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.393 11.761 -43.440 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.900 14.351 -46.482 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.545 10.210 -43.855 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.041 12.805 -46.882 1.00 0.00 H new ATOM 0 HH TYR A 18 0.089 10.725 -45.041 1.00 0.00 H new ATOM 287 N PRO A 19 -6.147 14.866 -47.702 1.00 0.00 N ATOM 288 CA PRO A 19 -5.808 14.932 -49.107 1.00 0.00 C ATOM 289 C PRO A 19 -4.285 14.938 -49.305 1.00 0.00 C ATOM 290 O PRO A 19 -3.533 15.444 -48.448 1.00 0.00 O ATOM 291 CB PRO A 19 -6.432 16.233 -49.606 1.00 0.00 C ATOM 292 CG PRO A 19 -6.859 17.001 -48.401 1.00 0.00 C ATOM 293 CD PRO A 19 -6.723 16.114 -47.194 1.00 0.00 C ATOM 0 HA PRO A 19 -6.180 14.067 -49.657 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.714 16.805 -50.193 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.284 16.028 -50.255 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.246 17.895 -48.285 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.891 17.335 -48.511 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.079 16.568 -46.441 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.690 15.939 -46.722 1.00 0.00 H new ATOM 301 N SER A 20 -3.838 14.425 -50.434 1.00 0.00 N ATOM 302 CA SER A 20 -2.420 14.254 -50.714 1.00 0.00 C ATOM 303 C SER A 20 -1.671 15.587 -50.842 1.00 0.00 C ATOM 304 O SER A 20 -0.448 15.628 -50.732 1.00 0.00 O ATOM 305 CB SER A 20 -2.257 13.425 -51.965 1.00 0.00 C ATOM 306 OG SER A 20 -2.980 12.205 -51.838 1.00 0.00 O ATOM 0 H SER A 20 -4.449 14.112 -51.189 1.00 0.00 H new ATOM 0 HA SER A 20 -1.973 13.738 -49.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.617 13.982 -52.830 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.201 13.216 -52.137 1.00 0.00 H new ATOM 0 HG SER A 20 -2.871 11.674 -52.654 1.00 0.00 H new ATOM 312 N SER A 21 -2.407 16.667 -51.038 1.00 0.00 N ATOM 313 CA SER A 21 -1.828 17.994 -51.117 1.00 0.00 C ATOM 314 C SER A 21 -1.154 18.377 -49.771 1.00 0.00 C ATOM 315 O SER A 21 -0.266 19.235 -49.723 1.00 0.00 O ATOM 316 CB SER A 21 -2.920 19.014 -51.518 1.00 0.00 C ATOM 317 OG SER A 21 -2.406 20.330 -51.679 1.00 0.00 O ATOM 0 H SER A 21 -3.421 16.648 -51.147 1.00 0.00 H new ATOM 0 HA SER A 21 -1.052 18.005 -51.882 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.387 18.694 -52.449 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.700 19.023 -50.757 1.00 0.00 H new ATOM 0 HG SER A 21 -3.133 20.936 -51.933 1.00 0.00 H new ATOM 323 N TYR A 22 -1.545 17.708 -48.691 1.00 0.00 N ATOM 324 CA TYR A 22 -0.973 17.995 -47.387 1.00 0.00 C ATOM 325 C TYR A 22 0.059 16.983 -46.966 1.00 0.00 C ATOM 326 O TYR A 22 0.443 16.969 -45.810 1.00 0.00 O ATOM 327 CB TYR A 22 -2.035 18.077 -46.302 1.00 0.00 C ATOM 328 CG TYR A 22 -3.015 19.180 -46.460 1.00 0.00 C ATOM 329 CD1 TYR A 22 -2.690 20.474 -46.111 1.00 0.00 C ATOM 330 CD2 TYR A 22 -4.260 18.925 -46.951 1.00 0.00 C ATOM 331 CE1 TYR A 22 -3.594 21.497 -46.269 1.00 0.00 C ATOM 332 CE2 TYR A 22 -5.180 19.925 -47.111 1.00 0.00 C ATOM 333 CZ TYR A 22 -4.844 21.217 -46.768 1.00 0.00 C ATOM 334 OH TYR A 22 -5.757 22.233 -46.942 1.00 0.00 O ATOM 0 H TYR A 22 -2.249 16.970 -48.695 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.489 18.965 -47.501 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.577 17.132 -46.274 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.539 18.188 -45.338 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.711 20.687 -45.708 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.526 17.913 -47.219 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -3.326 22.509 -46.004 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.162 19.704 -47.503 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.590 21.866 -47.304 1.00 0.00 H new ATOM 344 N SER A 23 0.543 16.180 -47.879 1.00 0.00 N ATOM 345 CA SER A 23 1.526 15.169 -47.520 1.00 0.00 C ATOM 346 C SER A 23 2.806 15.819 -46.989 1.00 0.00 C ATOM 347 O SER A 23 3.310 15.423 -45.954 1.00 0.00 O ATOM 348 CB SER A 23 1.806 14.239 -48.691 1.00 0.00 C ATOM 349 OG SER A 23 0.615 13.584 -49.115 1.00 0.00 O ATOM 0 H SER A 23 0.282 16.199 -48.865 1.00 0.00 H new ATOM 0 HA SER A 23 1.112 14.559 -46.717 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.228 14.808 -49.520 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.551 13.497 -48.402 1.00 0.00 H new ATOM 0 HG SER A 23 0.123 14.166 -49.731 1.00 0.00 H new ATOM 355 N SER A 24 3.229 16.906 -47.625 1.00 0.00 N ATOM 356 CA SER A 24 4.430 17.640 -47.245 1.00 0.00 C ATOM 357 C SER A 24 4.312 18.234 -45.831 1.00 0.00 C ATOM 358 O SER A 24 5.310 18.420 -45.111 1.00 0.00 O ATOM 359 CB SER A 24 4.661 18.719 -48.285 1.00 0.00 C ATOM 360 OG SER A 24 3.422 19.356 -48.597 1.00 0.00 O ATOM 0 H SER A 24 2.742 17.306 -48.427 1.00 0.00 H new ATOM 0 HA SER A 24 5.283 16.962 -47.214 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.375 19.453 -47.910 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.095 18.284 -49.185 1.00 0.00 H new ATOM 0 HG SER A 24 3.573 20.054 -49.268 1.00 0.00 H new ATOM 366 N VAL A 25 3.092 18.470 -45.438 1.00 0.00 N ATOM 367 CA VAL A 25 2.750 19.012 -44.138 1.00 0.00 C ATOM 368 C VAL A 25 2.657 17.891 -43.128 1.00 0.00 C ATOM 369 O VAL A 25 3.088 18.003 -41.980 1.00 0.00 O ATOM 370 CB VAL A 25 1.378 19.724 -44.202 1.00 0.00 C ATOM 371 CG1 VAL A 25 0.917 20.138 -42.825 1.00 0.00 C ATOM 372 CG2 VAL A 25 1.428 20.913 -45.136 1.00 0.00 C ATOM 0 H VAL A 25 2.278 18.288 -46.026 1.00 0.00 H new ATOM 0 HA VAL A 25 3.523 19.723 -43.845 1.00 0.00 H new ATOM 0 HB VAL A 25 0.652 19.015 -44.599 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.050 20.636 -42.899 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.823 19.255 -42.192 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.645 20.822 -42.388 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.451 21.396 -45.163 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.174 21.624 -44.781 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.695 20.577 -46.138 1.00 0.00 H new ATOM 382 N PHE A 26 2.167 16.797 -43.585 1.00 0.00 N ATOM 383 CA PHE A 26 1.890 15.677 -42.766 1.00 0.00 C ATOM 384 C PHE A 26 3.168 14.959 -42.375 1.00 0.00 C ATOM 385 O PHE A 26 3.216 14.245 -41.371 1.00 0.00 O ATOM 386 CB PHE A 26 0.908 14.777 -43.499 1.00 0.00 C ATOM 387 CG PHE A 26 0.993 13.349 -43.106 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.408 12.911 -41.939 1.00 0.00 C ATOM 389 CD2 PHE A 26 1.715 12.451 -43.880 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.531 11.603 -41.554 1.00 0.00 C ATOM 391 CE2 PHE A 26 1.850 11.146 -43.492 1.00 0.00 C ATOM 392 CZ PHE A 26 1.256 10.720 -42.331 1.00 0.00 C ATOM 0 H PHE A 26 1.941 16.653 -44.569 1.00 0.00 H new ATOM 0 HA PHE A 26 1.433 15.996 -41.829 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.105 15.135 -43.315 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.085 14.860 -44.571 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.150 13.602 -41.325 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.175 12.786 -44.798 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.062 11.261 -40.643 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.420 10.456 -44.096 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.356 9.690 -42.023 1.00 0.00 H new ATOM 402 N LEU A 27 4.215 15.194 -43.130 1.00 0.00 N ATOM 403 CA LEU A 27 5.505 14.589 -42.859 1.00 0.00 C ATOM 404 C LEU A 27 6.007 15.016 -41.480 1.00 0.00 C ATOM 405 O LEU A 27 6.804 14.337 -40.860 1.00 0.00 O ATOM 406 CB LEU A 27 6.532 14.990 -43.906 1.00 0.00 C ATOM 407 CG LEU A 27 6.137 14.791 -45.360 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.270 15.142 -46.281 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.610 13.390 -45.617 1.00 0.00 C ATOM 0 H LEU A 27 4.201 15.806 -43.946 1.00 0.00 H new ATOM 0 HA LEU A 27 5.376 13.507 -42.889 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.774 16.043 -43.760 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.445 14.425 -43.721 1.00 0.00 H new ATOM 0 HG LEU A 27 5.317 15.476 -45.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.959 14.990 -47.315 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.547 16.186 -46.135 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.127 14.505 -46.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.339 13.290 -46.668 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.381 12.660 -45.370 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.731 13.213 -44.997 1.00 0.00 H new ATOM 421 N ARG A 28 5.484 16.121 -40.997 1.00 0.00 N ATOM 422 CA ARG A 28 5.846 16.614 -39.694 1.00 0.00 C ATOM 423 C ARG A 28 5.155 15.735 -38.672 1.00 0.00 C ATOM 424 O ARG A 28 5.782 15.145 -37.819 1.00 0.00 O ATOM 425 CB ARG A 28 5.393 18.076 -39.520 1.00 0.00 C ATOM 426 CG ARG A 28 5.757 18.990 -40.690 1.00 0.00 C ATOM 427 CD ARG A 28 7.226 18.913 -41.027 1.00 0.00 C ATOM 428 NE ARG A 28 8.063 19.381 -39.931 1.00 0.00 N ATOM 429 CZ ARG A 28 9.386 19.267 -39.880 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.041 18.668 -40.871 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.049 19.746 -38.833 1.00 0.00 N ATOM 0 H ARG A 28 4.803 16.696 -41.493 1.00 0.00 H new ATOM 0 HA ARG A 28 6.928 16.586 -39.567 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.312 18.095 -39.382 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.838 18.476 -38.609 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.169 18.712 -41.565 1.00 0.00 H new ATOM 0 HG3 ARG A 28 5.494 20.019 -40.443 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.489 17.883 -41.269 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.426 19.511 -41.916 1.00 0.00 H new ATOM 0 HE ARG A 28 7.598 19.831 -39.142 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.528 18.296 -41.670 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.056 18.581 -40.832 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.542 20.199 -38.072 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.064 19.661 -38.790 1.00 0.00 H new ATOM 445 N LEU A 29 3.864 15.565 -38.879 1.00 0.00 N ATOM 446 CA LEU A 29 2.982 14.804 -38.003 1.00 0.00 C ATOM 447 C LEU A 29 3.424 13.331 -37.955 1.00 0.00 C ATOM 448 O LEU A 29 3.342 12.687 -36.912 1.00 0.00 O ATOM 449 CB LEU A 29 1.529 14.959 -38.537 1.00 0.00 C ATOM 450 CG LEU A 29 0.327 14.542 -37.641 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.106 13.051 -37.632 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.501 15.054 -36.217 1.00 0.00 C ATOM 0 H LEU A 29 3.381 15.963 -39.685 1.00 0.00 H new ATOM 0 HA LEU A 29 3.029 15.180 -36.981 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.390 16.007 -38.801 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.460 14.386 -39.462 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.559 15.003 -38.078 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.744 12.813 -36.992 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.096 12.707 -38.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.998 12.553 -37.251 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.353 14.748 -35.613 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.414 14.639 -35.790 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.567 16.142 -36.227 1.00 0.00 H new ATOM 464 N ARG A 30 3.944 12.819 -39.071 1.00 0.00 N ATOM 465 CA ARG A 30 4.378 11.423 -39.118 1.00 0.00 C ATOM 466 C ARG A 30 5.624 11.249 -38.283 1.00 0.00 C ATOM 467 O ARG A 30 5.781 10.270 -37.564 1.00 0.00 O ATOM 468 CB ARG A 30 4.595 10.932 -40.553 1.00 0.00 C ATOM 469 CG ARG A 30 5.839 11.440 -41.238 1.00 0.00 C ATOM 470 CD ARG A 30 5.930 10.964 -42.672 1.00 0.00 C ATOM 471 NE ARG A 30 6.130 9.517 -42.776 1.00 0.00 N ATOM 472 CZ ARG A 30 5.742 8.765 -43.816 1.00 0.00 C ATOM 473 NH1 ARG A 30 5.029 9.300 -44.805 1.00 0.00 N ATOM 474 NH2 ARG A 30 6.068 7.475 -43.863 1.00 0.00 N ATOM 0 H ARG A 30 4.073 13.339 -39.939 1.00 0.00 H new ATOM 0 HA ARG A 30 3.582 10.807 -38.700 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.627 9.843 -40.544 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.730 11.220 -41.151 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.846 12.530 -41.216 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.718 11.105 -40.688 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.017 11.239 -43.200 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.753 11.477 -43.169 1.00 0.00 H new ATOM 0 HE ARG A 30 6.598 9.047 -42.001 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.775 10.287 -44.774 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.737 8.723 -45.593 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.613 7.059 -43.108 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.773 6.903 -44.654 1.00 0.00 H new ATOM 488 N SER A 31 6.462 12.243 -38.335 1.00 0.00 N ATOM 489 CA SER A 31 7.686 12.256 -37.567 1.00 0.00 C ATOM 490 C SER A 31 7.362 12.352 -36.075 1.00 0.00 C ATOM 491 O SER A 31 8.098 11.831 -35.227 1.00 0.00 O ATOM 492 CB SER A 31 8.586 13.395 -38.036 1.00 0.00 C ATOM 493 OG SER A 31 8.829 13.274 -39.439 1.00 0.00 O ATOM 0 H SER A 31 6.321 13.073 -38.911 1.00 0.00 H new ATOM 0 HA SER A 31 8.231 11.326 -37.726 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.116 14.354 -37.821 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.530 13.373 -37.491 1.00 0.00 H new ATOM 0 HG SER A 31 8.080 13.665 -39.936 1.00 0.00 H new ATOM 499 N LEU A 32 6.228 12.974 -35.771 1.00 0.00 N ATOM 500 CA LEU A 32 5.739 13.056 -34.406 1.00 0.00 C ATOM 501 C LEU A 32 5.268 11.696 -33.924 1.00 0.00 C ATOM 502 O LEU A 32 5.489 11.329 -32.781 1.00 0.00 O ATOM 503 CB LEU A 32 4.603 14.081 -34.267 1.00 0.00 C ATOM 504 CG LEU A 32 4.979 15.538 -33.933 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.640 15.620 -32.574 1.00 0.00 C ATOM 506 CD2 LEU A 32 5.884 16.148 -34.978 1.00 0.00 C ATOM 0 H LEU A 32 5.629 13.431 -36.459 1.00 0.00 H new ATOM 0 HA LEU A 32 6.571 13.389 -33.785 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.042 14.087 -35.202 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.925 13.725 -33.491 1.00 0.00 H new ATOM 0 HG LEU A 32 4.051 16.109 -33.921 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.898 16.657 -32.357 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.954 15.250 -31.813 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.545 15.013 -32.573 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.121 17.175 -34.699 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.804 15.568 -35.045 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.380 16.142 -35.944 1.00 0.00 H new ATOM 518 N MET A 33 4.625 10.949 -34.812 1.00 0.00 N ATOM 519 CA MET A 33 4.109 9.614 -34.506 1.00 0.00 C ATOM 520 C MET A 33 5.201 8.712 -33.997 1.00 0.00 C ATOM 521 O MET A 33 5.062 8.079 -32.957 1.00 0.00 O ATOM 522 CB MET A 33 3.550 8.948 -35.744 1.00 0.00 C ATOM 523 CG MET A 33 2.482 9.690 -36.459 1.00 0.00 C ATOM 524 SD MET A 33 1.923 8.746 -37.873 1.00 0.00 S ATOM 525 CE MET A 33 0.764 9.868 -38.586 1.00 0.00 C ATOM 0 H MET A 33 4.444 11.250 -35.770 1.00 0.00 H new ATOM 0 HA MET A 33 3.334 9.753 -33.752 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.371 8.773 -36.440 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.158 7.971 -35.461 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.647 9.881 -35.785 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.857 10.660 -36.784 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.165 9.347 -39.332 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.111 10.261 -37.806 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.299 10.691 -39.061 1.00 0.00 H new ATOM 535 N TYR A 34 6.292 8.673 -34.727 1.00 0.00 N ATOM 536 CA TYR A 34 7.390 7.785 -34.405 1.00 0.00 C ATOM 537 C TYR A 34 8.227 8.348 -33.286 1.00 0.00 C ATOM 538 O TYR A 34 9.060 7.654 -32.705 1.00 0.00 O ATOM 539 CB TYR A 34 8.239 7.534 -35.623 1.00 0.00 C ATOM 540 CG TYR A 34 7.443 7.038 -36.806 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.679 5.869 -36.734 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.444 7.747 -37.993 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.946 5.445 -37.817 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.714 7.322 -39.077 1.00 0.00 C ATOM 545 CZ TYR A 34 5.968 6.177 -38.984 1.00 0.00 C ATOM 546 OH TYR A 34 5.237 5.759 -40.066 1.00 0.00 O ATOM 0 H TYR A 34 6.445 9.250 -35.554 1.00 0.00 H new ATOM 0 HA TYR A 34 6.972 6.835 -34.071 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.751 8.456 -35.898 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.009 6.802 -35.378 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.665 5.294 -35.820 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.029 8.651 -38.070 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.356 4.543 -37.753 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.728 7.888 -39.997 1.00 0.00 H new ATOM 0 HH TYR A 34 4.281 5.854 -39.872 1.00 0.00 H new ATOM 556 N ASP A 35 8.053 9.616 -33.021 1.00 0.00 N ATOM 557 CA ASP A 35 8.688 10.226 -31.870 1.00 0.00 C ATOM 558 C ASP A 35 7.915 9.807 -30.628 1.00 0.00 C ATOM 559 O ASP A 35 8.464 9.687 -29.530 1.00 0.00 O ATOM 560 CB ASP A 35 8.731 11.738 -31.990 1.00 0.00 C ATOM 561 CG ASP A 35 9.527 12.360 -30.873 1.00 0.00 C ATOM 562 OD1 ASP A 35 10.762 12.162 -30.834 1.00 0.00 O ATOM 563 OD2 ASP A 35 8.956 13.077 -30.030 1.00 0.00 O ATOM 0 H ASP A 35 7.481 10.249 -33.580 1.00 0.00 H new ATOM 0 HA ASP A 35 9.722 9.888 -31.806 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.170 12.015 -32.948 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.715 12.134 -31.978 1.00 0.00 H new ATOM 568 N MET A 36 6.643 9.537 -30.842 1.00 0.00 N ATOM 569 CA MET A 36 5.748 9.013 -29.847 1.00 0.00 C ATOM 570 C MET A 36 5.745 7.471 -29.941 1.00 0.00 C ATOM 571 O MET A 36 6.722 6.869 -30.410 1.00 0.00 O ATOM 572 CB MET A 36 4.339 9.601 -30.050 1.00 0.00 C ATOM 573 CG MET A 36 4.237 11.076 -29.687 1.00 0.00 C ATOM 574 SD MET A 36 2.577 11.772 -29.913 1.00 0.00 S ATOM 575 CE MET A 36 2.420 11.758 -31.693 1.00 0.00 C ATOM 0 H MET A 36 6.195 9.684 -31.747 1.00 0.00 H new ATOM 0 HA MET A 36 6.080 9.297 -28.848 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.046 9.471 -31.092 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.628 9.037 -29.446 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.537 11.206 -28.647 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.943 11.640 -30.296 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.477 12.224 -31.979 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.248 12.312 -32.136 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.439 10.729 -32.052 1.00 0.00 H new ATOM 585 N ASN A 37 4.682 6.835 -29.523 1.00 0.00 N ATOM 586 CA ASN A 37 4.651 5.371 -29.444 1.00 0.00 C ATOM 587 C ASN A 37 4.154 4.672 -30.696 1.00 0.00 C ATOM 588 O ASN A 37 4.032 3.447 -30.713 1.00 0.00 O ATOM 589 CB ASN A 37 3.857 4.906 -28.249 1.00 0.00 C ATOM 590 CG ASN A 37 4.635 5.049 -26.976 1.00 0.00 C ATOM 591 OD1 ASN A 37 5.333 4.132 -26.557 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.539 6.187 -26.355 1.00 0.00 N ATOM 0 H ASN A 37 3.820 7.294 -29.229 1.00 0.00 H new ATOM 0 HA ASN A 37 5.697 5.083 -29.335 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.935 5.483 -28.178 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.571 3.863 -28.386 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.055 6.340 -25.488 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.948 6.927 -26.734 1.00 0.00 H new ATOM 599 N PHE A 38 3.821 5.426 -31.707 1.00 0.00 N ATOM 600 CA PHE A 38 3.317 4.854 -32.964 1.00 0.00 C ATOM 601 C PHE A 38 4.398 4.079 -33.729 1.00 0.00 C ATOM 602 O PHE A 38 5.593 4.359 -33.593 1.00 0.00 O ATOM 603 CB PHE A 38 2.754 5.937 -33.858 1.00 0.00 C ATOM 604 CG PHE A 38 1.621 6.668 -33.238 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.855 7.783 -32.458 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.323 6.236 -33.417 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.828 8.451 -31.866 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.717 6.909 -32.826 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.454 8.020 -32.049 1.00 0.00 C ATOM 0 H PHE A 38 3.883 6.444 -31.703 1.00 0.00 H new ATOM 0 HA PHE A 38 2.528 4.153 -32.690 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.545 6.645 -34.104 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.422 5.491 -34.796 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.868 8.130 -32.316 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.125 5.365 -34.024 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.026 9.318 -31.254 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.733 6.572 -32.968 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.270 8.552 -31.582 1.00 0.00 H new ATOM 619 N SER A 39 3.974 3.129 -34.532 1.00 0.00 N ATOM 620 CA SER A 39 4.874 2.297 -35.305 1.00 0.00 C ATOM 621 C SER A 39 4.404 2.146 -36.767 1.00 0.00 C ATOM 622 O SER A 39 3.253 2.480 -37.107 1.00 0.00 O ATOM 623 CB SER A 39 4.952 0.923 -34.673 1.00 0.00 C ATOM 624 OG SER A 39 5.392 0.974 -33.308 1.00 0.00 O ATOM 0 H SER A 39 2.988 2.909 -34.669 1.00 0.00 H new ATOM 0 HA SER A 39 5.852 2.779 -35.309 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.972 0.449 -34.719 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.635 0.299 -35.249 1.00 0.00 H new ATOM 0 HG SER A 39 5.426 0.066 -32.941 1.00 0.00 H new ATOM 630 N SER A 40 5.292 1.613 -37.601 1.00 0.00 N ATOM 631 CA SER A 40 5.047 1.389 -39.013 1.00 0.00 C ATOM 632 C SER A 40 4.643 -0.049 -39.305 1.00 0.00 C ATOM 633 O SER A 40 4.082 -0.333 -40.370 1.00 0.00 O ATOM 634 CB SER A 40 6.312 1.683 -39.784 1.00 0.00 C ATOM 635 OG SER A 40 6.793 2.974 -39.492 1.00 0.00 O ATOM 0 H SER A 40 6.222 1.320 -37.302 1.00 0.00 H new ATOM 0 HA SER A 40 4.230 2.046 -39.312 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.073 0.943 -39.537 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.119 1.596 -40.853 1.00 0.00 H new ATOM 0 HG SER A 40 6.124 3.462 -38.968 1.00 0.00 H new ATOM 641 N ILE A 41 4.981 -0.945 -38.407 1.00 0.00 N ATOM 642 CA ILE A 41 4.689 -2.360 -38.555 1.00 0.00 C ATOM 643 C ILE A 41 3.918 -2.855 -37.336 1.00 0.00 C ATOM 644 O ILE A 41 4.131 -2.364 -36.218 1.00 0.00 O ATOM 645 CB ILE A 41 6.021 -3.223 -38.724 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.591 -3.187 -40.147 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.870 -4.671 -38.274 1.00 0.00 C ATOM 648 CD1 ILE A 41 7.178 -1.878 -40.566 1.00 0.00 C ATOM 0 H ILE A 41 5.471 -0.714 -37.543 1.00 0.00 H new ATOM 0 HA ILE A 41 4.088 -2.483 -39.456 1.00 0.00 H new ATOM 0 HB ILE A 41 6.732 -2.735 -38.057 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.359 -3.955 -40.233 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.797 -3.451 -40.846 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.814 -5.197 -38.418 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.597 -4.698 -37.219 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.091 -5.156 -38.863 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.553 -1.957 -41.586 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.412 -1.104 -40.520 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.998 -1.616 -39.898 1.00 0.00 H new ATOM 660 N VAL A 42 3.015 -3.778 -37.564 1.00 0.00 N ATOM 661 CA VAL A 42 2.296 -4.475 -36.517 1.00 0.00 C ATOM 662 C VAL A 42 1.844 -5.810 -37.109 1.00 0.00 C ATOM 663 O VAL A 42 1.650 -5.905 -38.327 1.00 0.00 O ATOM 664 CB VAL A 42 1.077 -3.649 -35.989 1.00 0.00 C ATOM 665 CG1 VAL A 42 0.049 -3.447 -37.063 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.455 -4.278 -34.752 1.00 0.00 C ATOM 0 H VAL A 42 2.751 -4.075 -38.504 1.00 0.00 H new ATOM 0 HA VAL A 42 2.943 -4.627 -35.653 1.00 0.00 H new ATOM 0 HB VAL A 42 1.459 -2.670 -35.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.785 -2.870 -36.664 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.497 -2.909 -37.898 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.312 -4.416 -37.408 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.388 -3.671 -34.420 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.107 -5.283 -34.991 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.199 -4.331 -33.957 1.00 0.00 H new ATOM 676 N ALA A 43 1.759 -6.831 -36.305 1.00 0.00 N ATOM 677 CA ALA A 43 1.335 -8.122 -36.788 1.00 0.00 C ATOM 678 C ALA A 43 -0.161 -8.156 -36.974 1.00 0.00 C ATOM 679 O ALA A 43 -0.919 -7.594 -36.168 1.00 0.00 O ATOM 680 CB ALA A 43 1.775 -9.239 -35.858 1.00 0.00 C ATOM 0 H ALA A 43 1.977 -6.798 -35.309 1.00 0.00 H new ATOM 0 HA ALA A 43 1.814 -8.283 -37.754 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.438 -10.197 -36.254 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.862 -9.241 -35.781 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.341 -9.082 -34.870 1.00 0.00 H new ATOM 686 N ASP A 44 -0.574 -8.789 -38.037 1.00 0.00 N ATOM 687 CA ASP A 44 -1.975 -8.972 -38.343 1.00 0.00 C ATOM 688 C ASP A 44 -2.547 -10.124 -37.520 1.00 0.00 C ATOM 689 O ASP A 44 -1.883 -10.648 -36.616 1.00 0.00 O ATOM 690 CB ASP A 44 -2.192 -9.218 -39.859 1.00 0.00 C ATOM 691 CG ASP A 44 -1.402 -10.385 -40.410 1.00 0.00 C ATOM 692 OD1 ASP A 44 -1.357 -11.422 -39.777 1.00 0.00 O ATOM 693 OD2 ASP A 44 -0.838 -10.273 -41.486 1.00 0.00 O ATOM 0 H ASP A 44 0.056 -9.199 -38.726 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.504 -8.056 -38.079 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.253 -9.392 -40.041 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.918 -8.316 -40.406 1.00 0.00 H new ATOM 698 N GLU A 45 -3.756 -10.543 -37.849 1.00 0.00 N ATOM 699 CA GLU A 45 -4.430 -11.594 -37.102 1.00 0.00 C ATOM 700 C GLU A 45 -3.846 -12.967 -37.417 1.00 0.00 C ATOM 701 O GLU A 45 -4.046 -13.924 -36.659 1.00 0.00 O ATOM 702 CB GLU A 45 -5.920 -11.588 -37.401 1.00 0.00 C ATOM 703 CG GLU A 45 -6.276 -12.007 -38.811 1.00 0.00 C ATOM 704 CD GLU A 45 -7.743 -11.832 -39.105 1.00 0.00 C ATOM 705 OE1 GLU A 45 -8.210 -10.678 -39.199 1.00 0.00 O ATOM 706 OE2 GLU A 45 -8.465 -12.845 -39.236 1.00 0.00 O ATOM 0 H GLU A 45 -4.294 -10.171 -38.631 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.275 -11.393 -36.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.422 -12.254 -36.699 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.310 -10.586 -37.223 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.693 -11.420 -39.521 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.000 -13.051 -38.958 1.00 0.00 H new ATOM 713 N TYR A 46 -3.125 -13.065 -38.515 1.00 0.00 N ATOM 714 CA TYR A 46 -2.529 -14.312 -38.904 1.00 0.00 C ATOM 715 C TYR A 46 -1.201 -14.397 -38.171 1.00 0.00 C ATOM 716 O TYR A 46 -0.812 -15.442 -37.644 1.00 0.00 O ATOM 717 CB TYR A 46 -2.266 -14.355 -40.422 1.00 0.00 C ATOM 718 CG TYR A 46 -3.351 -13.737 -41.295 1.00 0.00 C ATOM 719 CD1 TYR A 46 -4.687 -14.100 -41.183 1.00 0.00 C ATOM 720 CD2 TYR A 46 -3.020 -12.766 -42.223 1.00 0.00 C ATOM 721 CE1 TYR A 46 -5.651 -13.506 -41.980 1.00 0.00 C ATOM 722 CE2 TYR A 46 -3.970 -12.171 -43.014 1.00 0.00 C ATOM 723 CZ TYR A 46 -5.281 -12.541 -42.897 1.00 0.00 C ATOM 724 OH TYR A 46 -6.231 -11.934 -43.690 1.00 0.00 O ATOM 0 H TYR A 46 -2.941 -12.289 -39.151 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.194 -15.140 -38.660 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.326 -13.842 -40.625 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.133 -15.395 -40.720 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.977 -14.854 -40.466 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.987 -12.469 -42.328 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.687 -13.796 -41.885 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.683 -11.412 -43.727 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.798 -11.280 -44.277 1.00 0.00 H new ATOM 734 N GLY A 47 -0.544 -13.258 -38.104 1.00 0.00 N ATOM 735 CA GLY A 47 0.712 -13.136 -37.432 1.00 0.00 C ATOM 736 C GLY A 47 1.780 -12.527 -38.313 1.00 0.00 C ATOM 737 O GLY A 47 2.964 -12.621 -38.008 1.00 0.00 O ATOM 0 H GLY A 47 -0.878 -12.389 -38.521 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.586 -12.521 -36.541 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.039 -14.120 -37.097 1.00 0.00 H new ATOM 741 N ILE A 48 1.383 -11.893 -39.392 1.00 0.00 N ATOM 742 CA ILE A 48 2.340 -11.320 -40.304 1.00 0.00 C ATOM 743 C ILE A 48 2.569 -9.849 -39.985 1.00 0.00 C ATOM 744 O ILE A 48 1.611 -9.094 -39.792 1.00 0.00 O ATOM 745 CB ILE A 48 1.959 -11.540 -41.830 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.323 -12.960 -42.299 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.607 -10.508 -42.755 1.00 0.00 C ATOM 748 CD1 ILE A 48 1.603 -14.071 -41.583 1.00 0.00 C ATOM 0 H ILE A 48 0.407 -11.762 -39.657 1.00 0.00 H new ATOM 0 HA ILE A 48 3.278 -11.855 -40.157 1.00 0.00 H new ATOM 0 HB ILE A 48 0.879 -11.409 -41.892 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.112 -13.039 -43.366 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.396 -13.103 -42.174 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.312 -10.707 -43.785 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.280 -9.508 -42.470 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.692 -10.573 -42.669 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.926 -15.032 -41.984 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.832 -14.026 -40.518 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.528 -13.961 -41.728 1.00 0.00 H new ATOM 760 N PRO A 49 3.839 -9.442 -39.838 1.00 0.00 N ATOM 761 CA PRO A 49 4.197 -8.046 -39.613 1.00 0.00 C ATOM 762 C PRO A 49 3.852 -7.197 -40.837 1.00 0.00 C ATOM 763 O PRO A 49 4.538 -7.234 -41.860 1.00 0.00 O ATOM 764 CB PRO A 49 5.717 -8.072 -39.402 1.00 0.00 C ATOM 765 CG PRO A 49 6.178 -9.374 -39.970 1.00 0.00 C ATOM 766 CD PRO A 49 5.020 -10.325 -39.864 1.00 0.00 C ATOM 0 HA PRO A 49 3.660 -7.613 -38.769 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.197 -7.233 -39.905 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.967 -7.995 -38.344 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.488 -9.255 -41.008 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.041 -9.752 -39.421 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.988 -11.011 -40.710 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.084 -10.934 -38.962 1.00 0.00 H new ATOM 774 N ARG A 50 2.772 -6.501 -40.748 1.00 0.00 N ATOM 775 CA ARG A 50 2.286 -5.676 -41.821 1.00 0.00 C ATOM 776 C ARG A 50 2.819 -4.285 -41.719 1.00 0.00 C ATOM 777 O ARG A 50 3.048 -3.777 -40.619 1.00 0.00 O ATOM 778 CB ARG A 50 0.790 -5.601 -41.734 1.00 0.00 C ATOM 779 CG ARG A 50 0.105 -6.913 -41.935 1.00 0.00 C ATOM 780 CD ARG A 50 0.175 -7.373 -43.359 1.00 0.00 C ATOM 781 NE ARG A 50 -0.445 -8.668 -43.466 1.00 0.00 N ATOM 782 CZ ARG A 50 -1.003 -9.206 -44.517 1.00 0.00 C ATOM 783 NH1 ARG A 50 -1.307 -8.476 -45.591 1.00 0.00 N ATOM 784 NH2 ARG A 50 -1.345 -10.475 -44.451 1.00 0.00 N ATOM 0 H ARG A 50 2.184 -6.483 -39.915 1.00 0.00 H new ATOM 0 HA ARG A 50 2.612 -6.117 -42.763 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.512 -5.203 -40.758 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.427 -4.895 -42.481 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.562 -7.663 -41.289 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.939 -6.826 -41.633 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.330 -6.659 -44.010 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.213 -7.425 -43.687 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.449 -9.234 -42.618 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.104 -7.476 -45.602 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.743 -8.917 -46.401 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.172 -11.006 -43.598 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.783 -10.928 -45.253 1.00 0.00 H new ATOM 798 N GLN A 51 3.008 -3.676 -42.850 1.00 0.00 N ATOM 799 CA GLN A 51 3.360 -2.291 -42.918 1.00 0.00 C ATOM 800 C GLN A 51 2.093 -1.506 -42.950 1.00 0.00 C ATOM 801 O GLN A 51 1.109 -1.905 -43.565 1.00 0.00 O ATOM 802 CB GLN A 51 4.166 -1.971 -44.155 1.00 0.00 C ATOM 803 CG GLN A 51 5.636 -2.242 -44.039 1.00 0.00 C ATOM 804 CD GLN A 51 6.448 -0.983 -43.790 1.00 0.00 C ATOM 805 OE1 GLN A 51 7.574 -0.870 -44.253 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.939 -0.095 -42.967 1.00 0.00 N ATOM 0 H GLN A 51 2.921 -4.130 -43.759 1.00 0.00 H new ATOM 0 HA GLN A 51 3.974 -2.040 -42.053 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.769 -2.550 -44.989 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.024 -0.919 -44.401 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.808 -2.947 -43.225 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.986 -2.720 -44.954 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.996 -0.222 -42.600 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.487 0.721 -42.695 1.00 0.00 H new ATOM 815 N LEU A 52 2.114 -0.433 -42.285 1.00 0.00 N ATOM 816 CA LEU A 52 0.941 0.407 -42.136 1.00 0.00 C ATOM 817 C LEU A 52 1.051 1.628 -42.994 1.00 0.00 C ATOM 818 O LEU A 52 0.055 2.264 -43.303 1.00 0.00 O ATOM 819 CB LEU A 52 0.878 0.791 -40.672 1.00 0.00 C ATOM 820 CG LEU A 52 0.963 -0.419 -39.760 1.00 0.00 C ATOM 821 CD1 LEU A 52 1.073 -0.013 -38.338 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.225 -1.329 -39.989 1.00 0.00 C ATOM 0 H LEU A 52 2.944 -0.079 -41.809 1.00 0.00 H new ATOM 0 HA LEU A 52 0.039 -0.119 -42.448 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.694 1.476 -40.442 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.051 1.326 -40.478 1.00 0.00 H new ATOM 0 HG LEU A 52 1.869 -0.974 -40.004 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.132 -0.902 -37.709 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.971 0.589 -38.200 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.197 0.572 -38.058 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.153 -2.194 -39.329 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.146 -0.786 -39.777 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.232 -1.664 -41.026 1.00 0.00 H new ATOM 834 N ASN A 53 2.275 1.898 -43.423 1.00 0.00 N ATOM 835 CA ASN A 53 2.679 3.139 -44.144 1.00 0.00 C ATOM 836 C ASN A 53 2.045 3.324 -45.515 1.00 0.00 C ATOM 837 O ASN A 53 2.712 3.353 -46.548 1.00 0.00 O ATOM 838 CB ASN A 53 4.199 3.275 -44.231 1.00 0.00 C ATOM 839 CG ASN A 53 4.884 3.173 -42.886 1.00 0.00 C ATOM 840 OD1 ASN A 53 6.039 2.789 -42.804 1.00 0.00 O ATOM 841 ND2 ASN A 53 4.168 3.435 -41.814 1.00 0.00 N ATOM 0 H ASN A 53 3.052 1.252 -43.285 1.00 0.00 H new ATOM 0 HA ASN A 53 2.281 3.946 -43.529 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.590 2.500 -44.890 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.446 4.234 -44.686 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.577 3.318 -40.887 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.204 3.755 -41.910 1.00 0.00 H new ATOM 848 N GLU A 54 0.778 3.332 -45.501 1.00 0.00 N ATOM 849 CA GLU A 54 -0.049 3.650 -46.609 1.00 0.00 C ATOM 850 C GLU A 54 -0.907 4.802 -46.183 1.00 0.00 C ATOM 851 O GLU A 54 -0.924 5.873 -46.784 1.00 0.00 O ATOM 852 CB GLU A 54 -1.014 2.525 -46.934 1.00 0.00 C ATOM 853 CG GLU A 54 -0.447 1.158 -46.848 1.00 0.00 C ATOM 854 CD GLU A 54 -1.475 0.123 -47.167 1.00 0.00 C ATOM 855 OE1 GLU A 54 -1.768 -0.102 -48.356 1.00 0.00 O ATOM 856 OE2 GLU A 54 -2.033 -0.470 -46.233 1.00 0.00 O ATOM 0 H GLU A 54 0.243 3.102 -44.663 1.00 0.00 H new ATOM 0 HA GLU A 54 0.586 3.849 -47.472 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.865 2.591 -46.255 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.398 2.678 -47.942 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.391 1.066 -47.538 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.055 0.987 -45.845 1.00 0.00 H new ATOM 863 N ASN A 55 -1.591 4.551 -45.075 1.00 0.00 N ATOM 864 CA ASN A 55 -2.649 5.396 -44.590 1.00 0.00 C ATOM 865 C ASN A 55 -2.891 5.241 -43.072 1.00 0.00 C ATOM 866 O ASN A 55 -3.259 6.200 -42.388 1.00 0.00 O ATOM 867 CB ASN A 55 -3.893 5.058 -45.421 1.00 0.00 C ATOM 868 CG ASN A 55 -5.212 5.340 -44.764 1.00 0.00 C ATOM 869 OD1 ASN A 55 -5.731 6.433 -44.845 1.00 0.00 O ATOM 870 ND2 ASN A 55 -5.806 4.319 -44.198 1.00 0.00 N ATOM 0 H ASN A 55 -1.415 3.738 -44.485 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.381 6.446 -44.710 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.846 5.618 -46.355 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.857 4.000 -45.681 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.741 4.427 -43.804 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.334 3.416 -44.151 1.00 0.00 H new ATOM 877 N SER A 56 -2.697 4.050 -42.555 1.00 0.00 N ATOM 878 CA SER A 56 -2.883 3.800 -41.142 1.00 0.00 C ATOM 879 C SER A 56 -1.556 3.573 -40.438 1.00 0.00 C ATOM 880 O SER A 56 -0.537 3.472 -41.072 1.00 0.00 O ATOM 881 CB SER A 56 -3.816 2.622 -40.954 1.00 0.00 C ATOM 882 OG SER A 56 -5.053 2.873 -41.619 1.00 0.00 O ATOM 0 H SER A 56 -2.409 3.234 -43.094 1.00 0.00 H new ATOM 0 HA SER A 56 -3.334 4.682 -40.687 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.357 1.716 -41.350 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.992 2.452 -39.892 1.00 0.00 H new ATOM 0 HG SER A 56 -5.130 2.286 -42.400 1.00 0.00 H new ATOM 888 N PHE A 57 -1.575 3.581 -39.125 1.00 0.00 N ATOM 889 CA PHE A 57 -0.389 3.352 -38.307 1.00 0.00 C ATOM 890 C PHE A 57 -0.839 2.643 -37.044 1.00 0.00 C ATOM 891 O PHE A 57 -2.027 2.554 -36.815 1.00 0.00 O ATOM 892 CB PHE A 57 0.298 4.678 -37.948 1.00 0.00 C ATOM 893 CG PHE A 57 0.657 5.538 -39.136 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.880 5.392 -39.766 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.250 6.468 -39.644 1.00 0.00 C ATOM 896 CE1 PHE A 57 2.196 6.149 -40.878 1.00 0.00 C ATOM 897 CE2 PHE A 57 0.068 7.228 -40.754 1.00 0.00 C ATOM 898 CZ PHE A 57 1.292 7.067 -41.371 1.00 0.00 C ATOM 0 H PHE A 57 -2.421 3.748 -38.581 1.00 0.00 H new ATOM 0 HA PHE A 57 0.333 2.749 -38.858 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.359 5.246 -37.289 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.206 4.462 -37.384 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.596 4.679 -39.385 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.210 6.596 -39.166 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.153 6.022 -41.362 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.641 7.947 -41.138 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.542 7.659 -42.239 1.00 0.00 H new ATOM 908 N ALA A 58 0.076 2.155 -36.233 1.00 0.00 N ATOM 909 CA ALA A 58 -0.297 1.418 -35.023 1.00 0.00 C ATOM 910 C ALA A 58 0.391 1.988 -33.822 1.00 0.00 C ATOM 911 O ALA A 58 1.345 2.739 -33.962 1.00 0.00 O ATOM 912 CB ALA A 58 0.033 -0.067 -35.145 1.00 0.00 C ATOM 0 H ALA A 58 1.081 2.249 -36.380 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.375 1.521 -34.903 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.258 -0.581 -34.229 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.511 -0.493 -35.988 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.104 -0.190 -35.306 1.00 0.00 H new ATOM 918 N ILE A 59 -0.094 1.647 -32.655 1.00 0.00 N ATOM 919 CA ILE A 59 0.481 2.097 -31.422 1.00 0.00 C ATOM 920 C ILE A 59 0.180 1.102 -30.282 1.00 0.00 C ATOM 921 O ILE A 59 -0.905 0.538 -30.210 1.00 0.00 O ATOM 922 CB ILE A 59 -0.027 3.514 -31.073 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.664 4.028 -29.822 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.548 3.519 -30.896 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.499 5.492 -29.625 1.00 0.00 C ATOM 0 H ILE A 59 -0.907 1.043 -32.538 1.00 0.00 H new ATOM 0 HA ILE A 59 1.563 2.146 -31.544 1.00 0.00 H new ATOM 0 HB ILE A 59 0.216 4.181 -31.900 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.267 3.503 -28.953 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.727 3.792 -29.878 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.882 4.527 -30.651 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.023 3.194 -31.822 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.823 2.839 -30.089 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.015 5.797 -28.715 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.922 6.024 -30.478 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.561 5.730 -29.538 1.00 0.00 H new ATOM 937 N THR A 60 1.140 0.909 -29.406 1.00 0.00 N ATOM 938 CA THR A 60 1.025 -0.029 -28.296 1.00 0.00 C ATOM 939 C THR A 60 0.445 0.654 -27.026 1.00 0.00 C ATOM 940 O THR A 60 0.700 0.224 -25.903 1.00 0.00 O ATOM 941 CB THR A 60 2.431 -0.648 -27.970 1.00 0.00 C ATOM 942 OG1 THR A 60 2.306 -1.679 -26.972 1.00 0.00 O ATOM 943 CG2 THR A 60 3.382 0.420 -27.447 1.00 0.00 C ATOM 0 H THR A 60 2.034 1.400 -29.438 1.00 0.00 H new ATOM 0 HA THR A 60 0.336 -0.818 -28.598 1.00 0.00 H new ATOM 0 HB THR A 60 2.829 -1.071 -28.893 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.189 -2.057 -26.780 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.350 -0.031 -27.228 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.506 1.197 -28.201 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.972 0.859 -26.538 1.00 0.00 H new ATOM 951 N THR A 61 -0.378 1.647 -27.206 1.00 0.00 N ATOM 952 CA THR A 61 -0.893 2.386 -26.076 1.00 0.00 C ATOM 953 C THR A 61 -2.077 1.625 -25.416 1.00 0.00 C ATOM 954 O THR A 61 -2.587 0.648 -25.966 1.00 0.00 O ATOM 955 CB THR A 61 -1.345 3.804 -26.506 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.544 4.620 -25.357 1.00 0.00 O ATOM 957 CG2 THR A 61 -2.646 3.727 -27.280 1.00 0.00 C ATOM 0 H THR A 61 -0.709 1.967 -28.116 1.00 0.00 H new ATOM 0 HA THR A 61 -0.091 2.485 -25.345 1.00 0.00 H new ATOM 0 HB THR A 61 -0.568 4.236 -27.137 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.308 5.547 -25.570 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.953 4.730 -27.576 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.504 3.113 -28.169 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.418 3.282 -26.651 1.00 0.00 H new ATOM 965 N SER A 62 -2.488 2.071 -24.255 1.00 0.00 N ATOM 966 CA SER A 62 -3.598 1.482 -23.558 1.00 0.00 C ATOM 967 C SER A 62 -4.613 2.565 -23.171 1.00 0.00 C ATOM 968 O SER A 62 -5.568 2.311 -22.423 1.00 0.00 O ATOM 969 CB SER A 62 -3.097 0.749 -22.326 1.00 0.00 C ATOM 970 OG SER A 62 -4.146 0.068 -21.662 1.00 0.00 O ATOM 0 H SER A 62 -2.058 2.857 -23.767 1.00 0.00 H new ATOM 0 HA SER A 62 -4.096 0.766 -24.212 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.325 0.036 -22.615 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.634 1.460 -21.642 1.00 0.00 H new ATOM 0 HG SER A 62 -4.456 -0.677 -22.218 1.00 0.00 H new ATOM 976 N LEU A 63 -4.393 3.776 -23.638 1.00 0.00 N ATOM 977 CA LEU A 63 -5.354 4.830 -23.439 1.00 0.00 C ATOM 978 C LEU A 63 -6.501 4.678 -24.407 1.00 0.00 C ATOM 979 O LEU A 63 -6.509 3.752 -25.239 1.00 0.00 O ATOM 980 CB LEU A 63 -4.706 6.233 -23.458 1.00 0.00 C ATOM 981 CG LEU A 63 -3.720 6.549 -24.569 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.383 6.852 -25.858 1.00 0.00 C ATOM 983 CD2 LEU A 63 -2.746 7.635 -24.165 1.00 0.00 C ATOM 0 H LEU A 63 -3.558 4.050 -24.156 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.767 4.735 -22.435 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.508 6.970 -23.504 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.194 6.377 -22.507 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.142 5.639 -24.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.628 7.070 -26.613 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.975 5.993 -26.174 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.035 7.717 -25.737 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.058 7.831 -24.987 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.295 8.546 -23.926 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.182 7.311 -23.290 1.00 0.00 H new ATOM 995 N ALA A 64 -7.461 5.539 -24.329 1.00 0.00 N ATOM 996 CA ALA A 64 -8.610 5.358 -25.149 1.00 0.00 C ATOM 997 C ALA A 64 -8.429 5.969 -26.514 1.00 0.00 C ATOM 998 O ALA A 64 -7.513 6.750 -26.732 1.00 0.00 O ATOM 999 CB ALA A 64 -9.882 5.830 -24.481 1.00 0.00 C ATOM 0 H ALA A 64 -7.474 6.357 -23.720 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.720 4.283 -25.291 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.726 5.668 -25.151 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.038 5.270 -23.559 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.800 6.892 -24.251 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.321 5.629 -27.409 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.272 6.074 -28.792 1.00 0.00 C ATOM 1007 C ALA A 65 -9.244 7.586 -28.907 1.00 0.00 C ATOM 1008 O ALA A 65 -8.382 8.152 -29.580 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.435 5.483 -29.567 1.00 0.00 C ATOM 0 H ALA A 65 -10.117 5.026 -27.201 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.340 5.715 -29.227 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.392 5.821 -30.602 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.376 4.395 -29.538 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.374 5.808 -29.118 1.00 0.00 H new ATOM 1015 N SER A 66 -10.113 8.234 -28.195 1.00 0.00 N ATOM 1016 CA SER A 66 -10.190 9.667 -28.248 1.00 0.00 C ATOM 1017 C SER A 66 -9.056 10.322 -27.468 1.00 0.00 C ATOM 1018 O SER A 66 -8.799 11.522 -27.604 1.00 0.00 O ATOM 1019 CB SER A 66 -11.564 10.133 -27.817 1.00 0.00 C ATOM 1020 OG SER A 66 -12.525 9.572 -28.700 1.00 0.00 O ATOM 0 H SER A 66 -10.784 7.793 -27.566 1.00 0.00 H new ATOM 0 HA SER A 66 -10.053 9.989 -29.280 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.765 9.823 -26.791 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.619 11.221 -27.838 1.00 0.00 H new ATOM 0 HG SER A 66 -12.185 9.607 -29.618 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.323 9.513 -26.724 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.189 9.994 -26.005 1.00 0.00 C ATOM 1028 C GLU A 67 -6.032 10.019 -26.971 1.00 0.00 C ATOM 1029 O GLU A 67 -5.277 10.981 -27.006 1.00 0.00 O ATOM 1030 CB GLU A 67 -6.888 9.104 -24.802 1.00 0.00 C ATOM 1031 CG GLU A 67 -7.996 9.062 -23.767 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.190 10.372 -23.048 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -8.842 11.288 -23.597 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.730 10.488 -21.894 1.00 0.00 O ATOM 0 H GLU A 67 -8.506 8.516 -26.611 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.376 10.993 -25.611 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.696 8.090 -25.153 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.973 9.455 -24.324 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.929 8.782 -24.255 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.772 8.284 -23.037 1.00 0.00 H new ATOM 1041 N ILE A 68 -5.926 8.955 -27.805 1.00 0.00 N ATOM 1042 CA ILE A 68 -4.900 8.917 -28.859 1.00 0.00 C ATOM 1043 C ILE A 68 -5.098 10.114 -29.763 1.00 0.00 C ATOM 1044 O ILE A 68 -4.148 10.803 -30.114 1.00 0.00 O ATOM 1045 CB ILE A 68 -4.963 7.661 -29.772 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.431 6.427 -29.013 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.600 7.424 -30.397 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.195 5.114 -29.695 1.00 0.00 C ATOM 0 H ILE A 68 -6.527 8.132 -27.765 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.941 8.907 -28.341 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.697 7.845 -30.556 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.930 6.407 -28.045 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.499 6.527 -28.818 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.642 6.543 -31.038 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.316 8.292 -30.992 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.862 7.266 -29.611 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.567 4.305 -29.066 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.720 5.101 -30.650 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.127 4.979 -29.866 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.358 10.358 -30.116 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.729 11.492 -30.941 1.00 0.00 C ATOM 1062 C GLU A 69 -6.204 12.788 -30.360 1.00 0.00 C ATOM 1063 O GLU A 69 -5.549 13.544 -31.050 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.242 11.600 -31.094 1.00 0.00 C ATOM 1065 CG GLU A 69 -8.875 10.481 -31.872 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.378 10.608 -31.941 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.880 11.432 -32.740 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.101 9.891 -31.204 1.00 0.00 O ATOM 0 H GLU A 69 -7.145 9.773 -29.836 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.281 11.325 -31.920 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.692 11.635 -30.102 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.478 12.544 -31.585 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.467 10.468 -32.883 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.614 9.528 -31.411 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.448 13.004 -29.073 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.062 14.259 -28.415 1.00 0.00 C ATOM 1077 C ASP A 70 -4.556 14.420 -28.429 1.00 0.00 C ATOM 1078 O ASP A 70 -4.044 15.504 -28.704 1.00 0.00 O ATOM 1079 CB ASP A 70 -6.605 14.330 -26.984 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.511 15.721 -26.387 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -5.458 16.093 -25.826 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -7.513 16.477 -26.471 1.00 0.00 O ATOM 0 H ASP A 70 -6.910 12.332 -28.460 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.505 15.083 -28.975 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.646 14.007 -26.979 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.052 13.632 -26.356 1.00 0.00 H new ATOM 1087 N LEU A 71 -3.866 13.311 -28.204 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.410 13.252 -28.245 1.00 0.00 C ATOM 1089 C LEU A 71 -1.896 13.750 -29.581 1.00 0.00 C ATOM 1090 O LEU A 71 -1.055 14.637 -29.652 1.00 0.00 O ATOM 1091 CB LEU A 71 -1.925 11.808 -28.035 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.384 11.435 -26.659 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.464 11.487 -25.597 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -0.741 10.067 -26.720 1.00 0.00 C ATOM 0 H LEU A 71 -4.305 12.417 -27.985 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.026 13.887 -27.446 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.755 11.139 -28.262 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.144 11.607 -28.768 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.630 12.169 -26.375 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.038 11.215 -24.631 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.872 12.496 -25.542 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.260 10.787 -25.853 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.355 9.802 -25.736 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.482 9.330 -27.029 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.078 10.082 -27.439 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.454 13.219 -30.630 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.025 13.532 -31.970 1.00 0.00 C ATOM 1108 C ILE A 72 -2.412 14.952 -32.339 1.00 0.00 C ATOM 1109 O ILE A 72 -1.603 15.707 -32.886 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.675 12.557 -32.963 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.217 11.138 -32.669 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.347 12.938 -34.405 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.169 10.103 -33.169 1.00 0.00 C ATOM 0 H ILE A 72 -3.224 12.552 -30.584 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.940 13.439 -32.014 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.757 12.614 -32.843 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.240 10.976 -33.124 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.091 11.018 -31.593 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.821 12.230 -35.085 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.719 13.942 -34.610 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.267 12.914 -34.551 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.787 9.111 -32.929 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.140 10.242 -32.694 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.276 10.199 -34.249 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.620 15.330 -31.997 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.126 16.612 -32.405 1.00 0.00 C ATOM 1127 C ARG A 73 -3.448 17.762 -31.656 1.00 0.00 C ATOM 1128 O ARG A 73 -3.394 18.883 -32.154 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.670 16.675 -32.352 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.345 15.530 -33.129 1.00 0.00 C ATOM 1131 CD ARG A 73 -7.793 15.820 -33.489 1.00 0.00 C ATOM 1132 NE ARG A 73 -7.874 16.861 -34.521 1.00 0.00 N ATOM 1133 CZ ARG A 73 -8.716 16.878 -35.569 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -9.674 15.949 -35.697 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -8.600 17.836 -36.488 1.00 0.00 N ATOM 0 H ARG A 73 -4.265 14.770 -31.440 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.861 16.742 -33.454 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.994 16.642 -31.312 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.004 17.629 -32.759 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.782 15.339 -34.043 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.302 14.620 -32.531 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.273 14.909 -33.846 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.337 16.140 -32.600 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.230 17.647 -34.435 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -9.771 15.217 -34.994 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.306 15.975 -36.498 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.877 18.549 -36.393 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.235 17.856 -37.286 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.868 17.488 -30.492 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.141 18.533 -29.792 1.00 0.00 C ATOM 1151 C LEU A 74 -0.719 18.652 -30.367 1.00 0.00 C ATOM 1152 O LEU A 74 -0.018 19.636 -30.144 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.160 18.325 -28.252 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.246 17.257 -27.636 1.00 0.00 C ATOM 1155 CD1 LEU A 74 0.117 17.840 -27.292 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -1.888 16.648 -26.408 1.00 0.00 C ATOM 0 H LEU A 74 -2.886 16.580 -30.027 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.646 19.485 -29.958 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.911 19.279 -27.788 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.184 18.088 -27.964 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.102 16.470 -28.376 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.746 17.063 -26.857 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.588 18.223 -28.197 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.005 18.652 -26.575 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.224 15.893 -25.987 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.068 17.427 -25.667 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.835 16.184 -26.685 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.310 17.651 -31.145 1.00 0.00 N ATOM 1169 CA LYS A 75 0.980 17.677 -31.820 1.00 0.00 C ATOM 1170 C LYS A 75 0.863 18.382 -33.162 1.00 0.00 C ATOM 1171 O LYS A 75 1.850 18.631 -33.842 1.00 0.00 O ATOM 1172 CB LYS A 75 1.616 16.272 -31.970 1.00 0.00 C ATOM 1173 CG LYS A 75 2.535 15.855 -30.808 1.00 0.00 C ATOM 1174 CD LYS A 75 1.802 15.705 -29.496 1.00 0.00 C ATOM 1175 CE LYS A 75 2.753 15.517 -28.314 1.00 0.00 C ATOM 1176 NZ LYS A 75 3.627 14.332 -28.454 1.00 0.00 N ATOM 0 H LYS A 75 -0.859 16.810 -31.322 1.00 0.00 H new ATOM 0 HA LYS A 75 1.660 18.244 -31.185 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.818 15.535 -32.067 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.189 16.245 -32.897 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.019 14.911 -31.057 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.325 16.597 -30.693 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.185 16.587 -29.325 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.128 14.851 -29.555 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.373 16.408 -28.209 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.170 15.425 -27.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.059 14.109 -27.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.062 13.520 -28.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.375 14.532 -29.149 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.356 18.758 -33.502 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.642 19.486 -34.726 1.00 0.00 C ATOM 1192 C CYS A 76 -0.197 20.948 -34.569 1.00 0.00 C ATOM 1193 O CYS A 76 -0.132 21.708 -35.526 1.00 0.00 O ATOM 1194 CB CYS A 76 -2.137 19.392 -35.025 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.700 20.138 -36.572 1.00 0.00 S ATOM 0 H CYS A 76 -1.181 18.566 -32.934 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.093 19.052 -35.562 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.418 18.339 -35.033 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.679 19.860 -34.204 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.985 19.978 -36.688 1.00 0.00 H new ATOM 1201 N LEU A 77 0.140 21.316 -33.345 1.00 0.00 N ATOM 1202 CA LEU A 77 0.629 22.646 -33.035 1.00 0.00 C ATOM 1203 C LEU A 77 2.078 22.789 -33.517 1.00 0.00 C ATOM 1204 O LEU A 77 2.618 23.889 -33.600 1.00 0.00 O ATOM 1205 CB LEU A 77 0.547 22.882 -31.523 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.835 22.653 -30.885 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.785 22.866 -29.385 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.884 23.549 -31.516 1.00 0.00 C ATOM 0 H LEU A 77 0.082 20.698 -32.536 1.00 0.00 H new ATOM 0 HA LEU A 77 0.014 23.389 -33.544 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.266 22.226 -31.032 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.857 23.906 -31.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.117 21.617 -31.072 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.775 22.698 -28.960 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.076 22.167 -28.942 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.468 23.887 -29.173 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.850 23.365 -31.046 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.604 24.593 -31.374 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.953 23.333 -32.582 1.00 0.00 H new ATOM 1220 N ASP A 78 2.697 21.655 -33.823 1.00 0.00 N ATOM 1221 CA ASP A 78 4.069 21.623 -34.318 1.00 0.00 C ATOM 1222 C ASP A 78 4.063 21.919 -35.780 1.00 0.00 C ATOM 1223 O ASP A 78 4.823 22.752 -36.273 1.00 0.00 O ATOM 1224 CB ASP A 78 4.662 20.237 -34.140 1.00 0.00 C ATOM 1225 CG ASP A 78 6.144 20.182 -34.475 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.970 20.509 -33.603 1.00 0.00 O ATOM 1227 OD2 ASP A 78 6.517 19.801 -35.605 1.00 0.00 O ATOM 0 H ASP A 78 2.265 20.735 -33.736 1.00 0.00 H new ATOM 0 HA ASP A 78 4.655 22.356 -33.764 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.515 19.914 -33.109 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.124 19.533 -34.775 1.00 0.00 H new ATOM 1232 N LEU A 79 3.177 21.243 -36.461 1.00 0.00 N ATOM 1233 CA LEU A 79 3.056 21.355 -37.901 1.00 0.00 C ATOM 1234 C LEU A 79 2.362 22.673 -38.263 1.00 0.00 C ATOM 1235 O LEU A 79 1.730 23.281 -37.399 1.00 0.00 O ATOM 1236 CB LEU A 79 2.305 20.103 -38.444 1.00 0.00 C ATOM 1237 CG LEU A 79 0.842 19.896 -38.007 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -0.117 20.747 -38.807 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.459 18.435 -38.053 1.00 0.00 C ATOM 0 H LEU A 79 2.513 20.595 -36.037 1.00 0.00 H new ATOM 0 HA LEU A 79 4.038 21.379 -38.373 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.326 20.146 -39.533 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.871 19.219 -38.149 1.00 0.00 H new ATOM 0 HG LEU A 79 0.767 20.227 -36.971 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.136 20.568 -38.464 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.131 21.800 -38.672 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.039 20.488 -39.863 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.579 18.321 -37.739 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.574 18.061 -39.070 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.105 17.868 -37.383 1.00 0.00 H new ATOM 1251 N PRO A 80 2.503 23.153 -39.518 1.00 0.00 N ATOM 1252 CA PRO A 80 1.833 24.377 -39.960 1.00 0.00 C ATOM 1253 C PRO A 80 0.297 24.254 -39.872 1.00 0.00 C ATOM 1254 O PRO A 80 -0.321 24.762 -38.923 1.00 0.00 O ATOM 1255 CB PRO A 80 2.294 24.569 -41.418 1.00 0.00 C ATOM 1256 CG PRO A 80 2.925 23.275 -41.824 1.00 0.00 C ATOM 1257 CD PRO A 80 3.358 22.574 -40.566 1.00 0.00 C ATOM 0 HA PRO A 80 2.089 25.228 -39.329 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.451 24.812 -42.065 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.005 25.392 -41.498 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.218 22.661 -42.382 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.779 23.452 -42.478 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.219 21.496 -40.643 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.414 22.745 -40.358 1.00 0.00 H new ATOM 1265 N ASP A 81 -0.303 23.539 -40.818 1.00 0.00 N ATOM 1266 CA ASP A 81 -1.744 23.310 -40.822 1.00 0.00 C ATOM 1267 C ASP A 81 -2.119 22.225 -41.810 1.00 0.00 C ATOM 1268 O ASP A 81 -1.583 22.181 -42.919 1.00 0.00 O ATOM 1269 CB ASP A 81 -2.522 24.585 -41.151 1.00 0.00 C ATOM 1270 CG ASP A 81 -4.004 24.331 -41.247 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -4.625 24.020 -40.219 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -4.575 24.440 -42.344 1.00 0.00 O ATOM 0 H ASP A 81 0.191 23.105 -41.598 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.013 22.991 -39.815 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.331 25.335 -40.383 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.162 24.996 -42.094 1.00 0.00 H new ATOM 1277 N ILE A 82 -3.012 21.358 -41.396 1.00 0.00 N ATOM 1278 CA ILE A 82 -3.527 20.290 -42.206 1.00 0.00 C ATOM 1279 C ILE A 82 -4.865 19.834 -41.656 1.00 0.00 C ATOM 1280 O ILE A 82 -4.991 19.511 -40.462 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.562 19.058 -42.313 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -3.266 17.863 -42.985 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.972 18.676 -40.968 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -2.396 16.646 -43.147 1.00 0.00 C ATOM 0 H ILE A 82 -3.410 21.381 -40.457 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.635 20.692 -43.214 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.726 19.354 -42.947 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.142 17.593 -42.395 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.625 18.172 -43.967 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.311 17.818 -41.091 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.406 19.517 -40.567 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.776 18.418 -40.278 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.967 15.852 -43.628 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.532 16.896 -43.763 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.057 16.308 -42.168 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.863 19.880 -42.487 1.00 0.00 N ATOM 1297 CA ASP A 83 -7.155 19.334 -42.143 1.00 0.00 C ATOM 1298 C ASP A 83 -7.110 17.830 -42.272 1.00 0.00 C ATOM 1299 O ASP A 83 -7.239 17.275 -43.369 1.00 0.00 O ATOM 1300 CB ASP A 83 -8.287 19.915 -43.010 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.641 19.267 -42.721 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -10.165 19.424 -41.599 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -10.207 18.594 -43.611 1.00 0.00 O ATOM 0 H ASP A 83 -5.812 20.293 -43.418 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.375 19.613 -41.113 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.358 20.989 -42.836 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.040 19.778 -44.063 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.817 17.186 -41.185 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.800 15.762 -41.156 1.00 0.00 C ATOM 1310 C PHE A 84 -7.907 15.281 -40.270 1.00 0.00 C ATOM 1311 O PHE A 84 -8.385 16.016 -39.393 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.431 15.183 -40.698 1.00 0.00 C ATOM 1313 CG PHE A 84 -5.031 15.494 -39.270 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.416 14.667 -38.217 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -4.267 16.598 -38.993 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -5.040 14.954 -36.919 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -3.883 16.895 -37.701 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.271 16.072 -36.660 1.00 0.00 C ATOM 0 H PHE A 84 -6.584 17.633 -40.298 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.951 15.402 -42.174 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.456 14.100 -40.821 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.656 15.562 -41.364 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.015 13.791 -38.418 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.960 17.247 -39.800 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.346 14.307 -36.110 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.280 17.769 -37.503 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.974 16.302 -35.648 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.321 14.091 -40.498 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.354 13.477 -39.725 1.00 0.00 C ATOM 1330 C ASP A 85 -8.905 12.067 -39.463 1.00 0.00 C ATOM 1331 O ASP A 85 -8.588 11.355 -40.396 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.643 13.476 -40.539 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.835 13.045 -39.754 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -12.065 11.832 -39.603 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -12.579 13.921 -39.282 1.00 0.00 O ATOM 0 H ASP A 85 -7.949 13.498 -41.240 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.537 14.006 -38.790 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.818 14.478 -40.931 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.523 12.814 -41.397 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.805 11.662 -38.230 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.304 10.334 -37.963 1.00 0.00 C ATOM 1342 C LEU A 86 -9.368 9.469 -37.335 1.00 0.00 C ATOM 1343 O LEU A 86 -10.291 9.968 -36.668 1.00 0.00 O ATOM 1344 CB LEU A 86 -7.072 10.348 -37.036 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.347 10.585 -35.536 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.155 10.251 -34.708 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.792 12.000 -35.242 1.00 0.00 C ATOM 0 H LEU A 86 -9.055 12.212 -37.408 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.010 9.922 -38.929 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.553 9.395 -37.142 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.390 11.123 -37.385 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.166 9.917 -35.271 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.381 10.429 -33.657 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.895 9.202 -34.851 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.315 10.877 -35.009 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.971 12.110 -34.173 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.015 12.698 -35.553 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.711 12.213 -35.788 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.253 8.205 -37.559 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.088 7.237 -36.937 1.00 0.00 C ATOM 1361 C ASN A 87 -9.220 6.247 -36.203 1.00 0.00 C ATOM 1362 O ASN A 87 -8.398 5.559 -36.819 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.964 6.506 -37.968 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.747 5.358 -37.347 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -11.191 4.189 -37.392 1.00 0.00 O flip ATOM 1366 ND2 ASN A 87 -12.852 5.535 -36.836 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.560 7.807 -38.194 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.755 7.744 -36.239 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.658 7.215 -38.420 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.334 6.122 -38.770 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -13.261 6.469 -36.817 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -13.359 4.748 -36.431 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.345 6.216 -34.909 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.660 5.239 -34.108 1.00 0.00 C ATOM 1375 C ILE A 88 -9.484 3.966 -34.080 1.00 0.00 C ATOM 1376 O ILE A 88 -10.718 4.020 -34.018 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.466 5.725 -32.658 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.582 6.979 -32.604 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -7.861 4.607 -31.804 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.185 6.749 -33.104 1.00 0.00 C ATOM 0 H ILE A 88 -9.924 6.866 -34.377 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.678 5.068 -34.549 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.444 5.989 -32.256 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.046 7.767 -33.197 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.537 7.338 -31.576 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -7.728 4.961 -30.782 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.529 3.746 -31.806 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.894 4.317 -32.216 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.617 7.677 -33.037 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.702 5.984 -32.496 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.220 6.419 -34.142 1.00 0.00 H new ATOM 1392 N MET A 89 -8.828 2.856 -34.167 1.00 0.00 N ATOM 1393 CA MET A 89 -9.453 1.577 -34.072 1.00 0.00 C ATOM 1394 C MET A 89 -8.433 0.645 -33.472 1.00 0.00 C ATOM 1395 O MET A 89 -7.266 0.986 -33.408 1.00 0.00 O ATOM 1396 CB MET A 89 -9.876 1.064 -35.469 1.00 0.00 C ATOM 1397 CG MET A 89 -8.714 0.591 -36.347 1.00 0.00 C ATOM 1398 SD MET A 89 -9.214 0.123 -38.005 1.00 0.00 S ATOM 1399 CE MET A 89 -9.535 1.703 -38.715 1.00 0.00 C ATOM 0 H MET A 89 -7.819 2.812 -34.309 1.00 0.00 H new ATOM 0 HA MET A 89 -10.354 1.635 -33.461 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.579 0.240 -35.343 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.408 1.860 -35.989 1.00 0.00 H new ATOM 0 HG2 MET A 89 -7.971 1.386 -36.411 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.230 -0.260 -35.868 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.267 1.689 -39.771 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.594 1.939 -38.613 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.943 2.460 -38.201 1.00 0.00 H new ATOM 1409 N THR A 90 -8.844 -0.464 -32.984 1.00 0.00 N ATOM 1410 CA THR A 90 -7.911 -1.461 -32.565 1.00 0.00 C ATOM 1411 C THR A 90 -7.306 -2.160 -33.786 1.00 0.00 C ATOM 1412 O THR A 90 -7.918 -2.193 -34.853 1.00 0.00 O ATOM 1413 CB THR A 90 -8.584 -2.479 -31.645 1.00 0.00 C ATOM 1414 OG1 THR A 90 -9.899 -2.805 -32.131 1.00 0.00 O ATOM 1415 CG2 THR A 90 -8.647 -1.989 -30.219 1.00 0.00 C ATOM 0 H THR A 90 -9.825 -0.714 -32.861 1.00 0.00 H new ATOM 0 HA THR A 90 -7.111 -0.975 -32.006 1.00 0.00 H new ATOM 0 HB THR A 90 -7.975 -3.383 -31.651 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.971 -3.774 -32.255 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.132 -2.741 -29.597 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.637 -1.810 -29.851 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.218 -1.061 -30.178 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.109 -2.676 -33.632 1.00 0.00 N ATOM 1424 CA VAL A 91 -5.408 -3.410 -34.692 1.00 0.00 C ATOM 1425 C VAL A 91 -6.276 -4.540 -35.284 1.00 0.00 C ATOM 1426 O VAL A 91 -6.317 -4.735 -36.512 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.082 -3.981 -34.146 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -3.439 -4.959 -35.115 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.111 -2.873 -33.851 1.00 0.00 C ATOM 0 H VAL A 91 -5.578 -2.604 -32.764 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.197 -2.708 -35.499 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.325 -4.516 -33.228 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.509 -5.335 -34.689 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.118 -5.792 -35.295 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.228 -4.452 -36.057 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.182 -3.296 -33.467 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.906 -2.316 -34.765 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.540 -2.202 -33.106 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.008 -5.234 -34.425 1.00 0.00 N ATOM 1440 CA ASP A 92 -7.877 -6.334 -34.869 1.00 0.00 C ATOM 1441 C ASP A 92 -8.968 -5.807 -35.774 1.00 0.00 C ATOM 1442 O ASP A 92 -9.301 -6.419 -36.789 1.00 0.00 O ATOM 1443 CB ASP A 92 -8.511 -7.053 -33.678 1.00 0.00 C ATOM 1444 CG ASP A 92 -9.489 -6.206 -32.900 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.046 -5.375 -32.096 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -10.706 -6.345 -33.082 1.00 0.00 O ATOM 0 H ASP A 92 -7.024 -5.063 -33.420 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.258 -7.045 -35.417 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.024 -7.946 -34.036 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.721 -7.388 -33.006 1.00 0.00 H new ATOM 1451 N ASP A 93 -9.445 -4.624 -35.432 1.00 0.00 N ATOM 1452 CA ASP A 93 -10.545 -3.951 -36.143 1.00 0.00 C ATOM 1453 C ASP A 93 -10.060 -3.447 -37.466 1.00 0.00 C ATOM 1454 O ASP A 93 -10.827 -3.178 -38.381 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.067 -2.768 -35.359 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.513 -2.463 -35.660 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.393 -3.182 -35.136 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.806 -1.476 -36.364 1.00 0.00 O ATOM 0 H ASP A 93 -9.083 -4.087 -34.644 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.345 -4.680 -36.272 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -10.956 -2.966 -34.293 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.460 -1.891 -35.585 1.00 0.00 H new ATOM 1463 N TYR A 94 -8.785 -3.337 -37.569 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.181 -2.865 -38.745 1.00 0.00 C ATOM 1465 C TYR A 94 -8.019 -3.963 -39.761 1.00 0.00 C ATOM 1466 O TYR A 94 -8.554 -3.889 -40.873 1.00 0.00 O ATOM 1467 CB TYR A 94 -6.861 -2.200 -38.428 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.046 -1.824 -39.634 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.412 -0.760 -40.448 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -4.909 -2.544 -39.961 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -5.661 -0.435 -41.558 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.154 -2.221 -41.067 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.533 -1.169 -41.862 1.00 0.00 C ATOM 1474 OH TYR A 94 -3.795 -0.861 -42.978 1.00 0.00 O ATOM 0 H TYR A 94 -8.130 -3.577 -36.825 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.838 -2.118 -39.189 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.053 -1.302 -37.841 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.272 -2.870 -37.802 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.293 -0.182 -40.210 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.609 -3.373 -39.338 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.955 0.392 -42.188 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.269 -2.792 -41.307 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.033 -1.474 -43.046 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.322 -4.993 -39.371 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.013 -6.095 -40.271 1.00 0.00 C ATOM 1486 C PHE A 95 -8.222 -6.894 -40.693 1.00 0.00 C ATOM 1487 O PHE A 95 -8.195 -7.610 -41.670 1.00 0.00 O ATOM 1488 CB PHE A 95 -5.954 -6.989 -39.697 1.00 0.00 C ATOM 1489 CG PHE A 95 -4.599 -6.364 -39.725 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.008 -6.047 -40.936 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -3.922 -6.069 -38.557 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -2.771 -5.451 -40.979 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -2.678 -5.469 -38.598 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.103 -5.161 -39.809 1.00 0.00 C ATOM 0 H PHE A 95 -6.949 -5.103 -38.428 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.626 -5.631 -41.179 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.213 -7.239 -38.668 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.931 -7.924 -40.257 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.525 -6.271 -41.857 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.369 -6.310 -37.604 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.321 -5.209 -41.931 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.157 -5.242 -37.679 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.130 -4.693 -39.843 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.266 -6.776 -39.952 1.00 0.00 N ATOM 1505 CA ARG A 96 -10.521 -7.419 -40.313 1.00 0.00 C ATOM 1506 C ARG A 96 -11.143 -6.765 -41.570 1.00 0.00 C ATOM 1507 O ARG A 96 -12.049 -7.325 -42.184 1.00 0.00 O ATOM 1508 CB ARG A 96 -11.485 -7.437 -39.112 1.00 0.00 C ATOM 1509 CG ARG A 96 -11.892 -6.071 -38.580 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.139 -5.514 -39.239 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.337 -6.283 -38.880 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.546 -5.744 -38.643 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.728 -4.427 -38.722 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.565 -6.526 -38.314 1.00 0.00 N ATOM 0 H ARG A 96 -9.296 -6.242 -39.084 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.319 -8.458 -40.575 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -12.386 -7.979 -39.399 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.019 -7.999 -38.303 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.060 -6.143 -37.505 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.069 -5.372 -38.728 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.273 -4.474 -38.942 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.013 -5.523 -40.322 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.246 -7.296 -38.805 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.947 -3.818 -38.964 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -16.649 -4.028 -38.540 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.431 -7.535 -38.241 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.483 -6.119 -38.134 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.653 -5.572 -41.927 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.112 -4.866 -43.124 1.00 0.00 C ATOM 1530 C GLN A 97 -10.154 -5.178 -44.274 1.00 0.00 C ATOM 1531 O GLN A 97 -10.567 -5.422 -45.399 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.086 -3.347 -42.899 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.752 -2.867 -41.628 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.523 -1.384 -41.401 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.398 -1.073 -40.840 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.317 -0.531 -41.789 1.00 0.00 N flip ATOM 0 H GLN A 97 -9.935 -5.075 -41.399 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.129 -5.187 -43.349 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.048 -3.016 -42.892 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.570 -2.863 -43.747 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.822 -3.066 -41.680 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.364 -3.430 -40.779 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.194 -0.812 -42.227 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.099 0.459 -41.673 1.00 0.00 H new