USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 536 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 35 TYR OH : rot -173:sc= -1.49! USER MOD Set 1.2: A 63 GLN : amide:sc= 0.215 K(o=-1.3,f=-1.9) USER MOD Set 2.1: A 12 ASN : amide:sc= 0.904 K(o=1.9,f=-0.42) USER MOD Set 2.2: A 24 SER OG : rot -97:sc= 1.04 USER MOD Set 3.1: A 8 GLN : amide:sc= -0.951 X(o=-0.9,f=-1) USER MOD Set 3.2: A 28 SER OG : rot -170:sc= 0.0542 USER MOD Single : A 7 ASN :FLIP amide:sc= 0.5 F(o=-0.41,f=0.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -138:sc= 1.1 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -89:sc= 1.23 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.611 X(o=-0.61,f=-0.16) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -112:sc= 0 (180deg=-1.63) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= 0.83 (180deg=-0.014) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc=-0.00664 (180deg=-0.102) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 160:sc= -0.983 USER MOD Single : A 49 LYS NZ :NH3+ -170:sc= 0.999 (180deg=0.766) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.06 USER MOD Single : A 61 SER OG : rot 180:sc=-0.00968 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.34 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.654 F(o=-1.2,f=-0.65) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 1.33 (180deg=0.712) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.0412 (180deg=-0.284) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 12.668 7.702 0.453 1.00 0.00 N ATOM 96 CA ASN A 7 12.283 7.026 1.690 1.00 0.00 C ATOM 97 C ASN A 7 10.788 6.735 1.681 1.00 0.00 C ATOM 98 O ASN A 7 10.185 6.471 2.721 1.00 0.00 O ATOM 99 CB ASN A 7 12.640 7.881 2.915 1.00 0.00 C ATOM 100 CG ASN A 7 11.800 9.145 3.034 1.00 0.00 C ATOM 101 OD1 ASN A 7 11.523 9.556 4.263 1.00 0.00 O flip ATOM 102 ND2 ASN A 7 11.400 9.745 2.036 1.00 0.00 N flip ATOM 0 HA ASN A 7 12.833 6.087 1.752 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.512 7.282 3.817 1.00 0.00 H new ATOM 0 HB3 ASN A 7 13.693 8.157 2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.633 9.399 1.105 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.836 10.588 2.140 1.00 0.00 H new ATOM 109 N GLN A 8 10.199 6.771 0.495 1.00 0.00 N ATOM 110 CA GLN A 8 8.763 6.609 0.348 1.00 0.00 C ATOM 111 C GLN A 8 8.362 5.143 0.374 1.00 0.00 C ATOM 112 O GLN A 8 9.112 4.268 -0.066 1.00 0.00 O ATOM 113 CB GLN A 8 8.283 7.240 -0.955 1.00 0.00 C ATOM 114 CG GLN A 8 8.512 8.738 -1.037 1.00 0.00 C ATOM 115 CD GLN A 8 7.953 9.328 -2.316 1.00 0.00 C ATOM 116 OE1 GLN A 8 7.917 8.667 -3.352 1.00 0.00 O ATOM 117 NE2 GLN A 8 7.510 10.568 -2.249 1.00 0.00 N ATOM 0 H GLN A 8 10.698 6.912 -0.383 1.00 0.00 H new ATOM 0 HA GLN A 8 8.293 7.113 1.192 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.793 6.759 -1.789 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.218 7.039 -1.074 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.046 9.224 -0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.581 8.945 -0.979 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.559 11.080 -1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.118 11.015 -3.078 1.00 0.00 H new ATOM 126 N VAL A 9 7.173 4.884 0.890 1.00 0.00 N ATOM 127 CA VAL A 9 6.629 3.541 0.922 1.00 0.00 C ATOM 128 C VAL A 9 5.626 3.359 -0.209 1.00 0.00 C ATOM 129 O VAL A 9 4.709 4.165 -0.375 1.00 0.00 O ATOM 130 CB VAL A 9 5.950 3.236 2.274 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.379 1.828 2.286 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.933 3.423 3.420 1.00 0.00 C ATOM 0 H VAL A 9 6.563 5.594 1.295 1.00 0.00 H new ATOM 0 HA VAL A 9 7.457 2.843 0.795 1.00 0.00 H new ATOM 0 HB VAL A 9 5.127 3.938 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.905 1.636 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.639 1.729 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.182 1.108 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.436 3.203 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.778 2.747 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.290 4.453 3.429 1.00 0.00 H new ATOM 142 N THR A 10 5.801 2.311 -0.991 1.00 0.00 N ATOM 143 CA THR A 10 4.926 2.037 -2.109 1.00 0.00 C ATOM 144 C THR A 10 3.749 1.172 -1.664 1.00 0.00 C ATOM 145 O THR A 10 3.891 -0.035 -1.447 1.00 0.00 O ATOM 146 CB THR A 10 5.689 1.338 -3.249 1.00 0.00 C ATOM 147 OG1 THR A 10 6.886 2.073 -3.541 1.00 0.00 O ATOM 148 CG2 THR A 10 4.834 1.236 -4.504 1.00 0.00 C ATOM 0 H THR A 10 6.550 1.630 -0.868 1.00 0.00 H new ATOM 0 HA THR A 10 4.548 2.989 -2.481 1.00 0.00 H new ATOM 0 HB THR A 10 5.940 0.328 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.374 1.629 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.401 0.738 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.934 0.661 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.554 2.236 -4.836 1.00 0.00 H new ATOM 156 N VAL A 11 2.599 1.804 -1.496 1.00 0.00 N ATOM 157 CA VAL A 11 1.387 1.115 -1.093 1.00 0.00 C ATOM 158 C VAL A 11 0.590 0.694 -2.321 1.00 0.00 C ATOM 159 O VAL A 11 0.194 1.535 -3.131 1.00 0.00 O ATOM 160 CB VAL A 11 0.506 2.010 -0.193 1.00 0.00 C ATOM 161 CG1 VAL A 11 -0.768 1.287 0.216 1.00 0.00 C ATOM 162 CG2 VAL A 11 1.282 2.464 1.035 1.00 0.00 C ATOM 0 H VAL A 11 2.481 2.808 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 11 1.680 0.233 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 11 0.223 2.892 -0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.369 1.940 0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.337 1.020 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.512 0.382 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.645 3.093 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.600 1.592 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.158 3.032 0.722 1.00 0.00 H new ATOM 172 N ASN A 12 0.373 -0.602 -2.468 1.00 0.00 N ATOM 173 CA ASN A 12 -0.364 -1.120 -3.612 1.00 0.00 C ATOM 174 C ASN A 12 -1.715 -1.658 -3.175 1.00 0.00 C ATOM 175 O ASN A 12 -1.796 -2.497 -2.275 1.00 0.00 O ATOM 176 CB ASN A 12 0.428 -2.222 -4.323 1.00 0.00 C ATOM 177 CG ASN A 12 1.765 -1.736 -4.850 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.853 -1.191 -5.951 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.818 -1.942 -4.073 1.00 0.00 N ATOM 0 H ASN A 12 0.695 -1.314 -1.813 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.517 -0.297 -4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.593 -3.048 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.164 -2.613 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.744 -1.645 -4.380 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.702 -2.397 -3.168 1.00 0.00 H new ATOM 186 N TYR A 13 -2.768 -1.164 -3.809 1.00 0.00 N ATOM 187 CA TYR A 13 -4.122 -1.610 -3.517 1.00 0.00 C ATOM 188 C TYR A 13 -4.502 -2.745 -4.457 1.00 0.00 C ATOM 189 O TYR A 13 -5.003 -2.514 -5.561 1.00 0.00 O ATOM 190 CB TYR A 13 -5.118 -0.454 -3.654 1.00 0.00 C ATOM 191 CG TYR A 13 -4.904 0.666 -2.656 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.033 1.714 -2.930 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.575 0.673 -1.440 1.00 0.00 C ATOM 194 CE1 TYR A 13 -3.840 2.737 -2.020 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.388 1.692 -0.526 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.519 2.721 -0.820 1.00 0.00 C ATOM 197 OH TYR A 13 -4.331 3.738 0.088 1.00 0.00 O ATOM 0 H TYR A 13 -2.710 -0.449 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.157 -1.967 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.049 -0.046 -4.662 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.129 -0.843 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.499 1.729 -3.868 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.255 -0.132 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.161 3.545 -2.248 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.920 1.682 0.414 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.261 3.362 0.990 1.00 0.00 H new ATOM 207 N LEU A 14 -4.249 -3.967 -4.020 1.00 0.00 N ATOM 208 CA LEU A 14 -4.429 -5.136 -4.865 1.00 0.00 C ATOM 209 C LEU A 14 -5.864 -5.643 -4.815 1.00 0.00 C ATOM 210 O LEU A 14 -6.518 -5.595 -3.776 1.00 0.00 O ATOM 211 CB LEU A 14 -3.467 -6.248 -4.447 1.00 0.00 C ATOM 212 CG LEU A 14 -1.983 -5.883 -4.514 1.00 0.00 C ATOM 213 CD1 LEU A 14 -1.128 -7.043 -4.034 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.592 -5.485 -5.930 1.00 0.00 C ATOM 0 H LEU A 14 -3.916 -4.176 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.210 -4.840 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.705 -6.549 -3.427 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.641 -7.116 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.810 -5.030 -3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.075 -6.766 -4.088 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.387 -7.284 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.307 -7.913 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.533 -5.229 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.781 -6.318 -6.607 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.182 -4.623 -6.242 1.00 0.00 H new ATOM 226 N ASP A 15 -6.335 -6.116 -5.956 1.00 0.00 N ATOM 227 CA ASP A 15 -7.677 -6.676 -6.081 1.00 0.00 C ATOM 228 C ASP A 15 -7.715 -8.135 -5.636 1.00 0.00 C ATOM 229 O ASP A 15 -8.194 -8.462 -4.556 1.00 0.00 O ATOM 230 CB ASP A 15 -8.146 -6.551 -7.539 1.00 0.00 C ATOM 231 CG ASP A 15 -9.359 -7.404 -7.867 1.00 0.00 C ATOM 232 OD1 ASP A 15 -10.470 -7.081 -7.405 1.00 0.00 O ATOM 233 OD2 ASP A 15 -9.205 -8.406 -8.608 1.00 0.00 O ATOM 0 H ASP A 15 -5.800 -6.124 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.349 -6.116 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.380 -5.507 -7.747 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.326 -6.832 -8.200 1.00 0.00 H new ATOM 238 N GLU A 16 -7.180 -9.005 -6.469 1.00 0.00 N ATOM 239 CA GLU A 16 -7.248 -10.438 -6.232 1.00 0.00 C ATOM 240 C GLU A 16 -6.257 -11.158 -7.131 1.00 0.00 C ATOM 241 O GLU A 16 -5.513 -12.033 -6.690 1.00 0.00 O ATOM 242 CB GLU A 16 -8.679 -10.927 -6.488 1.00 0.00 C ATOM 243 CG GLU A 16 -8.832 -12.435 -6.580 1.00 0.00 C ATOM 244 CD GLU A 16 -10.250 -12.842 -6.923 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.910 -12.119 -7.699 1.00 0.00 O ATOM 246 OE2 GLU A 16 -10.706 -13.891 -6.431 1.00 0.00 O ATOM 0 H GLU A 16 -6.689 -8.744 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.985 -10.655 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.322 -10.559 -5.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.039 -10.483 -7.416 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.150 -12.823 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.545 -12.887 -5.631 1.00 0.00 H new ATOM 253 N ASN A 17 -6.225 -10.749 -8.391 1.00 0.00 N ATOM 254 CA ASN A 17 -5.297 -11.322 -9.361 1.00 0.00 C ATOM 255 C ASN A 17 -3.931 -10.648 -9.261 1.00 0.00 C ATOM 256 O ASN A 17 -3.183 -10.598 -10.235 1.00 0.00 O ATOM 257 CB ASN A 17 -5.851 -11.177 -10.784 1.00 0.00 C ATOM 258 CG ASN A 17 -7.158 -11.921 -10.984 1.00 0.00 C ATOM 259 OD1 ASN A 17 -7.169 -13.116 -11.280 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.272 -11.218 -10.841 1.00 0.00 N ATOM 0 H ASN A 17 -6.832 -10.021 -8.768 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.180 -12.382 -9.135 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.002 -10.120 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.114 -11.549 -11.496 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.178 -11.666 -10.977 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.223 -10.229 -10.595 1.00 0.00 H new ATOM 267 N ASN A 18 -3.614 -10.146 -8.062 1.00 0.00 N ATOM 268 CA ASN A 18 -2.351 -9.448 -7.795 1.00 0.00 C ATOM 269 C ASN A 18 -2.237 -8.175 -8.626 1.00 0.00 C ATOM 270 O ASN A 18 -1.144 -7.660 -8.855 1.00 0.00 O ATOM 271 CB ASN A 18 -1.148 -10.362 -8.054 1.00 0.00 C ATOM 272 CG ASN A 18 -1.060 -11.504 -7.060 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.461 -11.370 -5.993 1.00 0.00 O ATOM 274 ND2 ASN A 18 -1.650 -12.641 -7.405 1.00 0.00 N ATOM 0 H ASN A 18 -4.226 -10.212 -7.249 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.350 -9.169 -6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.215 -10.768 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.232 -9.773 -8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.617 -13.444 -6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.137 -12.712 -8.298 1.00 0.00 H new ATOM 281 N THR A 19 -3.377 -7.663 -9.056 1.00 0.00 N ATOM 282 CA THR A 19 -3.422 -6.440 -9.833 1.00 0.00 C ATOM 283 C THR A 19 -3.906 -5.286 -8.966 1.00 0.00 C ATOM 284 O THR A 19 -4.893 -5.420 -8.241 1.00 0.00 O ATOM 285 CB THR A 19 -4.354 -6.606 -11.046 1.00 0.00 C ATOM 286 OG1 THR A 19 -4.023 -7.823 -11.728 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.222 -5.430 -12.004 1.00 0.00 C ATOM 0 H THR A 19 -4.290 -8.081 -8.877 1.00 0.00 H new ATOM 0 HA THR A 19 -2.416 -6.222 -10.191 1.00 0.00 H new ATOM 0 HB THR A 19 -5.385 -6.641 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.614 -7.936 -12.501 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.892 -5.574 -12.852 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.485 -4.508 -11.486 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.194 -5.365 -12.361 1.00 0.00 H new ATOM 295 N SER A 20 -3.197 -4.171 -9.021 1.00 0.00 N ATOM 296 CA SER A 20 -3.566 -2.998 -8.249 1.00 0.00 C ATOM 297 C SER A 20 -4.659 -2.224 -8.980 1.00 0.00 C ATOM 298 O SER A 20 -4.456 -1.748 -10.097 1.00 0.00 O ATOM 299 CB SER A 20 -2.337 -2.111 -8.013 1.00 0.00 C ATOM 300 OG SER A 20 -2.589 -1.128 -7.022 1.00 0.00 O ATOM 0 H SER A 20 -2.361 -4.054 -9.594 1.00 0.00 H new ATOM 0 HA SER A 20 -3.950 -3.312 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.493 -2.730 -7.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.053 -1.624 -8.946 1.00 0.00 H new ATOM 0 HG SER A 20 -2.951 -0.322 -7.446 1.00 0.00 H new ATOM 306 N ILE A 21 -5.821 -2.110 -8.348 1.00 0.00 N ATOM 307 CA ILE A 21 -6.962 -1.426 -8.953 1.00 0.00 C ATOM 308 C ILE A 21 -6.881 0.078 -8.733 1.00 0.00 C ATOM 309 O ILE A 21 -7.735 0.838 -9.198 1.00 0.00 O ATOM 310 CB ILE A 21 -8.300 -1.952 -8.399 1.00 0.00 C ATOM 311 CG1 ILE A 21 -8.272 -1.976 -6.866 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.593 -3.333 -8.965 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.567 -2.443 -6.238 1.00 0.00 C ATOM 0 H ILE A 21 -6.000 -2.482 -7.415 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.922 -1.634 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.101 -1.280 -8.708 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.464 -2.629 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.042 -0.975 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.541 -3.696 -8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.654 -3.275 -10.052 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.795 -4.019 -8.682 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.469 -2.433 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.377 -1.777 -6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.789 -3.456 -6.573 1.00 0.00 H new ATOM 325 N ALA A 22 -5.857 0.497 -8.011 1.00 0.00 N ATOM 326 CA ALA A 22 -5.594 1.904 -7.786 1.00 0.00 C ATOM 327 C ALA A 22 -4.111 2.178 -7.976 1.00 0.00 C ATOM 328 O ALA A 22 -3.282 1.352 -7.592 1.00 0.00 O ATOM 329 CB ALA A 22 -6.044 2.317 -6.391 1.00 0.00 C ATOM 0 H ALA A 22 -5.186 -0.129 -7.565 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.160 2.494 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.838 3.377 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.114 2.137 -6.286 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.503 1.733 -5.646 1.00 0.00 H new ATOM 335 N PRO A 23 -3.758 3.313 -8.599 1.00 0.00 N ATOM 336 CA PRO A 23 -2.358 3.711 -8.789 1.00 0.00 C ATOM 337 C PRO A 23 -1.557 3.612 -7.492 1.00 0.00 C ATOM 338 O PRO A 23 -1.996 4.109 -6.450 1.00 0.00 O ATOM 339 CB PRO A 23 -2.471 5.167 -9.245 1.00 0.00 C ATOM 340 CG PRO A 23 -3.793 5.245 -9.923 1.00 0.00 C ATOM 341 CD PRO A 23 -4.694 4.292 -9.184 1.00 0.00 C ATOM 0 HA PRO A 23 -1.834 3.070 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.418 5.853 -8.399 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.661 5.434 -9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.189 6.260 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.710 4.968 -10.974 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.273 4.803 -8.414 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.408 3.813 -9.855 1.00 0.00 H new ATOM 349 N SER A 24 -0.397 2.957 -7.567 1.00 0.00 N ATOM 350 CA SER A 24 0.453 2.726 -6.402 1.00 0.00 C ATOM 351 C SER A 24 0.684 4.017 -5.623 1.00 0.00 C ATOM 352 O SER A 24 1.165 5.011 -6.169 1.00 0.00 O ATOM 353 CB SER A 24 1.791 2.134 -6.846 1.00 0.00 C ATOM 354 OG SER A 24 1.593 1.003 -7.683 1.00 0.00 O ATOM 0 H SER A 24 -0.023 2.574 -8.435 1.00 0.00 H new ATOM 0 HA SER A 24 -0.054 2.021 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.368 2.889 -7.379 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.374 1.846 -5.971 1.00 0.00 H new ATOM 0 HG SER A 24 1.670 0.184 -7.150 1.00 0.00 H new ATOM 360 N LEU A 25 0.351 3.987 -4.345 1.00 0.00 N ATOM 361 CA LEU A 25 0.418 5.172 -3.512 1.00 0.00 C ATOM 362 C LEU A 25 1.792 5.299 -2.879 1.00 0.00 C ATOM 363 O LEU A 25 2.237 4.415 -2.150 1.00 0.00 O ATOM 364 CB LEU A 25 -0.659 5.113 -2.423 1.00 0.00 C ATOM 365 CG LEU A 25 -0.617 6.246 -1.392 1.00 0.00 C ATOM 366 CD1 LEU A 25 -0.831 7.595 -2.060 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.658 6.016 -0.310 1.00 0.00 C ATOM 0 H LEU A 25 0.030 3.149 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 25 0.241 6.046 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.637 5.118 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.567 4.163 -1.897 1.00 0.00 H new ATOM 0 HG LEU A 25 0.370 6.250 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.797 8.383 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.047 7.764 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.803 7.606 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.615 6.829 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.650 5.983 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.457 5.071 0.194 1.00 0.00 H new ATOM 379 N TYR A 26 2.468 6.393 -3.182 1.00 0.00 N ATOM 380 CA TYR A 26 3.769 6.663 -2.604 1.00 0.00 C ATOM 381 C TYR A 26 3.605 7.412 -1.292 1.00 0.00 C ATOM 382 O TYR A 26 3.441 8.633 -1.272 1.00 0.00 O ATOM 383 CB TYR A 26 4.642 7.456 -3.579 1.00 0.00 C ATOM 384 CG TYR A 26 5.026 6.675 -4.818 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.136 6.524 -5.874 1.00 0.00 C ATOM 386 CD2 TYR A 26 6.280 6.088 -4.929 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.483 5.810 -7.003 1.00 0.00 C ATOM 388 CE2 TYR A 26 6.636 5.372 -6.057 1.00 0.00 C ATOM 389 CZ TYR A 26 5.733 5.235 -7.091 1.00 0.00 C ATOM 390 OH TYR A 26 6.081 4.525 -8.220 1.00 0.00 O ATOM 0 H TYR A 26 2.135 7.110 -3.827 1.00 0.00 H new ATOM 0 HA TYR A 26 4.269 5.715 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.110 8.359 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.549 7.776 -3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.156 6.973 -5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.989 6.193 -4.121 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.778 5.702 -7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.615 4.923 -6.128 1.00 0.00 H new ATOM 0 HH TYR A 26 6.995 4.186 -8.124 1.00 0.00 H new ATOM 400 N LEU A 27 3.607 6.659 -0.203 1.00 0.00 N ATOM 401 CA LEU A 27 3.466 7.222 1.127 1.00 0.00 C ATOM 402 C LEU A 27 4.750 7.937 1.517 1.00 0.00 C ATOM 403 O LEU A 27 5.782 7.302 1.750 1.00 0.00 O ATOM 404 CB LEU A 27 3.136 6.111 2.130 1.00 0.00 C ATOM 405 CG LEU A 27 2.987 6.548 3.590 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.827 7.519 3.758 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.790 5.332 4.477 1.00 0.00 C ATOM 0 H LEU A 27 3.706 5.644 -0.218 1.00 0.00 H new ATOM 0 HA LEU A 27 2.650 7.944 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.208 5.631 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.919 5.355 2.076 1.00 0.00 H new ATOM 0 HG LEU A 27 3.900 7.063 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.746 7.811 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.002 8.404 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.901 7.038 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.685 5.651 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.891 4.798 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.653 4.672 4.386 1.00 0.00 H new ATOM 419 N SER A 28 4.688 9.255 1.560 1.00 0.00 N ATOM 420 CA SER A 28 5.855 10.062 1.848 1.00 0.00 C ATOM 421 C SER A 28 5.655 10.834 3.144 1.00 0.00 C ATOM 422 O SER A 28 4.870 11.783 3.201 1.00 0.00 O ATOM 423 CB SER A 28 6.125 11.025 0.686 1.00 0.00 C ATOM 424 OG SER A 28 7.388 11.659 0.816 1.00 0.00 O ATOM 0 H SER A 28 3.835 9.790 1.398 1.00 0.00 H new ATOM 0 HA SER A 28 6.718 9.407 1.967 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.087 10.479 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.340 11.780 0.649 1.00 0.00 H new ATOM 0 HG SER A 28 7.463 12.377 0.153 1.00 0.00 H new ATOM 430 N GLY A 29 6.348 10.405 4.184 1.00 0.00 N ATOM 431 CA GLY A 29 6.283 11.090 5.456 1.00 0.00 C ATOM 432 C GLY A 29 7.648 11.574 5.888 1.00 0.00 C ATOM 433 O GLY A 29 8.457 11.987 5.053 1.00 0.00 O ATOM 0 H GLY A 29 6.959 9.588 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.601 11.937 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.876 10.419 6.213 1.00 0.00 H new ATOM 437 N LEU A 30 7.915 11.510 7.178 1.00 0.00 N ATOM 438 CA LEU A 30 9.201 11.924 7.709 1.00 0.00 C ATOM 439 C LEU A 30 10.163 10.745 7.696 1.00 0.00 C ATOM 440 O LEU A 30 9.742 9.592 7.647 1.00 0.00 O ATOM 441 CB LEU A 30 9.040 12.463 9.133 1.00 0.00 C ATOM 442 CG LEU A 30 8.018 13.592 9.290 1.00 0.00 C ATOM 443 CD1 LEU A 30 7.915 14.018 10.744 1.00 0.00 C ATOM 444 CD2 LEU A 30 8.385 14.777 8.410 1.00 0.00 C ATOM 0 H LEU A 30 7.256 11.174 7.881 1.00 0.00 H new ATOM 0 HA LEU A 30 9.605 12.720 7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.751 11.639 9.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.009 12.821 9.481 1.00 0.00 H new ATOM 0 HG LEU A 30 7.045 13.219 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.184 14.821 10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.600 13.169 11.350 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.887 14.370 11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.645 15.568 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.368 15.151 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.404 14.463 7.366 1.00 0.00 H new ATOM 456 N PHE A 31 11.452 11.021 7.729 1.00 0.00 N ATOM 457 CA PHE A 31 12.440 9.957 7.725 1.00 0.00 C ATOM 458 C PHE A 31 12.515 9.320 9.107 1.00 0.00 C ATOM 459 O PHE A 31 12.533 10.028 10.113 1.00 0.00 O ATOM 460 CB PHE A 31 13.811 10.495 7.305 1.00 0.00 C ATOM 461 CG PHE A 31 14.871 9.434 7.216 1.00 0.00 C ATOM 462 CD1 PHE A 31 14.859 8.510 6.182 1.00 0.00 C ATOM 463 CD2 PHE A 31 15.871 9.353 8.172 1.00 0.00 C ATOM 464 CE1 PHE A 31 15.828 7.529 6.101 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.842 8.373 8.096 1.00 0.00 C ATOM 466 CZ PHE A 31 16.819 7.460 7.061 1.00 0.00 C ATOM 0 H PHE A 31 11.839 11.964 7.759 1.00 0.00 H new ATOM 0 HA PHE A 31 12.140 9.199 7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 31 13.718 10.986 6.337 1.00 0.00 H new ATOM 0 HB3 PHE A 31 14.128 11.255 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.084 8.558 5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 31 15.892 10.063 8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.811 6.817 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.618 8.321 8.845 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.576 6.692 7.002 1.00 0.00 H new ATOM 476 N ASN A 32 12.527 7.985 9.143 1.00 0.00 N ATOM 477 CA ASN A 32 12.611 7.233 10.400 1.00 0.00 C ATOM 478 C ASN A 32 11.330 7.427 11.221 1.00 0.00 C ATOM 479 O ASN A 32 11.305 7.228 12.432 1.00 0.00 O ATOM 480 CB ASN A 32 13.857 7.671 11.192 1.00 0.00 C ATOM 481 CG ASN A 32 14.238 6.719 12.314 1.00 0.00 C ATOM 482 OD1 ASN A 32 14.955 5.742 12.096 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.783 7.008 13.522 1.00 0.00 N ATOM 0 H ASN A 32 12.479 7.398 8.310 1.00 0.00 H new ATOM 0 HA ASN A 32 12.707 6.170 10.178 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.698 7.763 10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.679 8.661 11.613 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.024 6.412 14.314 1.00 0.00 H new ATOM 0 HD22 ASN A 32 13.191 7.827 13.662 1.00 0.00 H new ATOM 490 N GLU A 33 10.257 7.801 10.539 1.00 0.00 N ATOM 491 CA GLU A 33 8.970 8.012 11.185 1.00 0.00 C ATOM 492 C GLU A 33 8.139 6.732 11.192 1.00 0.00 C ATOM 493 O GLU A 33 8.085 6.008 10.195 1.00 0.00 O ATOM 494 CB GLU A 33 8.204 9.132 10.471 1.00 0.00 C ATOM 495 CG GLU A 33 6.742 9.235 10.872 1.00 0.00 C ATOM 496 CD GLU A 33 6.009 10.344 10.146 1.00 0.00 C ATOM 497 OE1 GLU A 33 6.156 10.458 8.914 1.00 0.00 O ATOM 498 OE2 GLU A 33 5.284 11.114 10.815 1.00 0.00 O ATOM 0 H GLU A 33 10.253 7.965 9.532 1.00 0.00 H new ATOM 0 HA GLU A 33 9.153 8.302 12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.695 10.083 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.264 8.970 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.247 8.285 10.669 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.676 9.405 11.947 1.00 0.00 H new ATOM 505 N ALA A 34 7.516 6.449 12.329 1.00 0.00 N ATOM 506 CA ALA A 34 6.540 5.375 12.422 1.00 0.00 C ATOM 507 C ALA A 34 5.207 5.851 11.858 1.00 0.00 C ATOM 508 O ALA A 34 4.551 6.720 12.438 1.00 0.00 O ATOM 509 CB ALA A 34 6.380 4.917 13.864 1.00 0.00 C ATOM 0 H ALA A 34 7.672 6.952 13.203 1.00 0.00 H new ATOM 0 HA ALA A 34 6.891 4.524 11.839 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.645 4.113 13.911 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.337 4.556 14.239 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.042 5.753 14.476 1.00 0.00 H new ATOM 515 N TYR A 35 4.816 5.291 10.725 1.00 0.00 N ATOM 516 CA TYR A 35 3.660 5.785 9.992 1.00 0.00 C ATOM 517 C TYR A 35 2.430 4.907 10.182 1.00 0.00 C ATOM 518 O TYR A 35 2.481 3.858 10.826 1.00 0.00 O ATOM 519 CB TYR A 35 3.991 5.883 8.500 1.00 0.00 C ATOM 520 CG TYR A 35 4.379 4.566 7.853 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.409 3.698 7.365 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.713 4.199 7.715 1.00 0.00 C ATOM 523 CE1 TYR A 35 3.755 2.506 6.762 1.00 0.00 C ATOM 524 CE2 TYR A 35 6.067 3.008 7.108 1.00 0.00 C ATOM 525 CZ TYR A 35 5.083 2.166 6.634 1.00 0.00 C ATOM 526 OH TYR A 35 5.426 0.986 6.019 1.00 0.00 O ATOM 0 H TYR A 35 5.282 4.494 10.292 1.00 0.00 H new ATOM 0 HA TYR A 35 3.425 6.771 10.392 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.127 6.290 7.975 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.808 6.593 8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.366 3.961 7.460 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.486 4.855 8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.987 1.843 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.108 2.739 7.006 1.00 0.00 H new ATOM 0 HH TYR A 35 6.391 0.839 6.108 1.00 0.00 H new ATOM 536 N ASN A 36 1.326 5.366 9.612 1.00 0.00 N ATOM 537 CA ASN A 36 0.093 4.600 9.558 1.00 0.00 C ATOM 538 C ASN A 36 -0.198 4.222 8.115 1.00 0.00 C ATOM 539 O ASN A 36 0.225 4.919 7.192 1.00 0.00 O ATOM 540 CB ASN A 36 -1.075 5.410 10.127 1.00 0.00 C ATOM 541 CG ASN A 36 -0.977 5.606 11.628 1.00 0.00 C ATOM 542 OD1 ASN A 36 -1.499 4.804 12.406 1.00 0.00 O ATOM 543 ND2 ASN A 36 -0.307 6.669 12.047 1.00 0.00 N ATOM 0 H ASN A 36 1.261 6.284 9.173 1.00 0.00 H new ATOM 0 HA ASN A 36 0.211 3.699 10.161 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.108 6.384 9.639 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.011 4.904 9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.208 6.848 13.046 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.110 7.308 11.370 1.00 0.00 H new ATOM 550 N VAL A 37 -0.910 3.125 7.916 1.00 0.00 N ATOM 551 CA VAL A 37 -1.218 2.659 6.572 1.00 0.00 C ATOM 552 C VAL A 37 -2.541 3.243 6.071 1.00 0.00 C ATOM 553 O VAL A 37 -3.594 3.032 6.675 1.00 0.00 O ATOM 554 CB VAL A 37 -1.257 1.114 6.498 1.00 0.00 C ATOM 555 CG1 VAL A 37 0.149 0.543 6.589 1.00 0.00 C ATOM 556 CG2 VAL A 37 -2.132 0.536 7.604 1.00 0.00 C ATOM 0 H VAL A 37 -1.285 2.542 8.664 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.416 3.010 5.923 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.690 0.833 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.104 -0.545 6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.750 0.922 5.763 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.602 0.841 7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.142 -0.551 7.529 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.732 0.829 8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.148 0.916 7.500 1.00 0.00 H new ATOM 566 N PRO A 38 -2.495 4.010 4.971 1.00 0.00 N ATOM 567 CA PRO A 38 -3.690 4.600 4.365 1.00 0.00 C ATOM 568 C PRO A 38 -4.551 3.550 3.672 1.00 0.00 C ATOM 569 O PRO A 38 -4.103 2.881 2.737 1.00 0.00 O ATOM 570 CB PRO A 38 -3.134 5.598 3.337 1.00 0.00 C ATOM 571 CG PRO A 38 -1.667 5.685 3.608 1.00 0.00 C ATOM 572 CD PRO A 38 -1.282 4.379 4.234 1.00 0.00 C ATOM 0 HA PRO A 38 -4.335 5.065 5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.324 5.258 2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.610 6.573 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.110 5.855 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.442 6.518 4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.019 3.632 3.485 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.422 4.484 4.895 1.00 0.00 H new ATOM 580 N MET A 39 -5.783 3.407 4.130 1.00 0.00 N ATOM 581 CA MET A 39 -6.681 2.395 3.593 1.00 0.00 C ATOM 582 C MET A 39 -7.960 3.024 3.056 1.00 0.00 C ATOM 583 O MET A 39 -8.500 3.961 3.645 1.00 0.00 O ATOM 584 CB MET A 39 -7.020 1.357 4.665 1.00 0.00 C ATOM 585 CG MET A 39 -5.842 0.483 5.062 1.00 0.00 C ATOM 586 SD MET A 39 -6.290 -0.773 6.278 1.00 0.00 S ATOM 587 CE MET A 39 -4.747 -1.669 6.423 1.00 0.00 C ATOM 0 H MET A 39 -6.186 3.978 4.873 1.00 0.00 H new ATOM 0 HA MET A 39 -6.169 1.900 2.768 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.395 1.871 5.550 1.00 0.00 H new ATOM 0 HB3 MET A 39 -7.827 0.721 4.300 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.439 -0.004 4.174 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.049 1.111 5.468 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.867 -2.670 6.008 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.966 -1.140 5.876 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.467 -1.743 7.474 1.00 0.00 H new ATOM 597 N LYS A 40 -8.439 2.501 1.938 1.00 0.00 N ATOM 598 CA LYS A 40 -9.656 2.997 1.310 1.00 0.00 C ATOM 599 C LYS A 40 -10.532 1.832 0.883 1.00 0.00 C ATOM 600 O LYS A 40 -10.046 0.865 0.296 1.00 0.00 O ATOM 601 CB LYS A 40 -9.333 3.866 0.093 1.00 0.00 C ATOM 602 CG LYS A 40 -8.675 5.191 0.434 1.00 0.00 C ATOM 603 CD LYS A 40 -8.359 5.983 -0.821 1.00 0.00 C ATOM 604 CE LYS A 40 -7.734 7.328 -0.490 1.00 0.00 C ATOM 605 NZ LYS A 40 -7.274 8.042 -1.711 1.00 0.00 N ATOM 0 H LYS A 40 -7.999 1.726 1.442 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.188 3.607 2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.677 3.308 -0.575 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.254 4.061 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.334 5.773 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.758 5.011 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.679 5.410 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.273 6.137 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.460 7.945 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.890 7.180 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.854 8.955 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.562 7.465 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.084 8.206 -2.343 1.00 0.00 H new ATOM 619 N LYS A 41 -11.820 1.924 1.166 1.00 0.00 N ATOM 620 CA LYS A 41 -12.735 0.850 0.825 1.00 0.00 C ATOM 621 C LYS A 41 -13.227 1.028 -0.606 1.00 0.00 C ATOM 622 O LYS A 41 -14.214 1.717 -0.861 1.00 0.00 O ATOM 623 CB LYS A 41 -13.909 0.818 1.806 1.00 0.00 C ATOM 624 CG LYS A 41 -14.661 -0.500 1.808 1.00 0.00 C ATOM 625 CD LYS A 41 -15.734 -0.523 2.882 1.00 0.00 C ATOM 626 CE LYS A 41 -16.263 -1.927 3.102 1.00 0.00 C ATOM 627 NZ LYS A 41 -15.210 -2.835 3.632 1.00 0.00 N ATOM 0 H LYS A 41 -12.253 2.724 1.627 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.211 -0.103 0.897 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.538 1.017 2.811 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.602 1.622 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.118 -0.662 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.962 -1.320 1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.326 -0.135 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.553 0.136 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.101 -1.895 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.646 -2.323 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.654 -3.596 4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.676 -3.247 2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.563 -2.297 4.243 1.00 0.00 H new ATOM 641 N ILE A 42 -12.518 0.407 -1.534 1.00 0.00 N ATOM 642 CA ILE A 42 -12.801 0.565 -2.950 1.00 0.00 C ATOM 643 C ILE A 42 -13.934 -0.355 -3.386 1.00 0.00 C ATOM 644 O ILE A 42 -13.849 -1.568 -3.219 1.00 0.00 O ATOM 645 CB ILE A 42 -11.546 0.270 -3.799 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.391 1.184 -3.373 1.00 0.00 C ATOM 647 CG2 ILE A 42 -11.851 0.444 -5.280 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.091 0.905 -4.097 1.00 0.00 C ATOM 0 H ILE A 42 -11.737 -0.216 -1.329 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.103 1.600 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.247 -0.765 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.678 2.221 -3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.230 1.074 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -10.955 0.232 -5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.645 -0.244 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.172 1.469 -5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.322 1.591 -3.742 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.779 -0.121 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.234 1.044 -5.169 1.00 0.00 H new ATOM 660 N LYS A 43 -15.003 0.246 -3.909 1.00 0.00 N ATOM 661 CA LYS A 43 -16.138 -0.489 -4.476 1.00 0.00 C ATOM 662 C LYS A 43 -16.748 -1.470 -3.480 1.00 0.00 C ATOM 663 O LYS A 43 -17.384 -2.451 -3.871 1.00 0.00 O ATOM 664 CB LYS A 43 -15.718 -1.223 -5.754 1.00 0.00 C ATOM 665 CG LYS A 43 -15.262 -0.296 -6.869 1.00 0.00 C ATOM 666 CD LYS A 43 -14.898 -1.072 -8.125 1.00 0.00 C ATOM 667 CE LYS A 43 -14.448 -0.148 -9.248 1.00 0.00 C ATOM 668 NZ LYS A 43 -13.185 0.567 -8.916 1.00 0.00 N ATOM 0 H LYS A 43 -15.108 1.260 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.905 0.246 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.910 -1.915 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.556 -1.821 -6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.054 0.417 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.400 0.281 -6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.102 -1.781 -7.897 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.759 -1.654 -8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.306 -0.729 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.233 0.580 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.835 1.064 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.365 1.256 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.471 -0.119 -8.598 1.00 0.00 H new ATOM 682 N GLY A 44 -16.587 -1.175 -2.201 1.00 0.00 N ATOM 683 CA GLY A 44 -17.111 -2.043 -1.169 1.00 0.00 C ATOM 684 C GLY A 44 -16.421 -3.391 -1.143 1.00 0.00 C ATOM 685 O GLY A 44 -17.070 -4.428 -1.205 1.00 0.00 O ATOM 0 H GLY A 44 -16.101 -0.347 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.996 -1.560 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.180 -2.188 -1.328 1.00 0.00 H new ATOM 689 N TYR A 45 -15.101 -3.379 -1.087 1.00 0.00 N ATOM 690 CA TYR A 45 -14.337 -4.610 -0.929 1.00 0.00 C ATOM 691 C TYR A 45 -13.949 -4.811 0.530 1.00 0.00 C ATOM 692 O TYR A 45 -13.839 -3.847 1.291 1.00 0.00 O ATOM 693 CB TYR A 45 -13.070 -4.594 -1.789 1.00 0.00 C ATOM 694 CG TYR A 45 -13.313 -4.676 -3.281 1.00 0.00 C ATOM 695 CD1 TYR A 45 -14.474 -5.239 -3.795 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.365 -4.199 -4.176 1.00 0.00 C ATOM 697 CE1 TYR A 45 -14.682 -5.322 -5.160 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.566 -4.276 -5.539 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.724 -4.839 -6.027 1.00 0.00 C ATOM 700 OH TYR A 45 -13.923 -4.921 -7.386 1.00 0.00 O ATOM 0 H TYR A 45 -14.534 -2.533 -1.148 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.972 -5.433 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.515 -3.681 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.436 -5.429 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.226 -5.618 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.453 -3.760 -3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -15.590 -5.763 -5.545 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.819 -3.896 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.153 -4.534 -7.853 1.00 0.00 H new ATOM 710 N THR A 46 -13.747 -6.061 0.913 1.00 0.00 N ATOM 711 CA THR A 46 -13.275 -6.387 2.247 1.00 0.00 C ATOM 712 C THR A 46 -11.763 -6.558 2.218 1.00 0.00 C ATOM 713 O THR A 46 -11.229 -7.174 1.298 1.00 0.00 O ATOM 714 CB THR A 46 -13.917 -7.692 2.767 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.342 -7.631 2.630 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.561 -7.932 4.229 1.00 0.00 C ATOM 0 H THR A 46 -13.904 -6.871 0.314 1.00 0.00 H new ATOM 0 HA THR A 46 -13.556 -5.573 2.915 1.00 0.00 H new ATOM 0 HB THR A 46 -13.527 -8.517 2.171 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.712 -8.538 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.026 -8.857 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.479 -8.011 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.923 -7.100 4.833 1.00 0.00 H new ATOM 724 N LEU A 47 -11.070 -5.999 3.200 1.00 0.00 N ATOM 725 CA LEU A 47 -9.625 -6.156 3.278 1.00 0.00 C ATOM 726 C LEU A 47 -9.269 -7.627 3.418 1.00 0.00 C ATOM 727 O LEU A 47 -9.472 -8.227 4.474 1.00 0.00 O ATOM 728 CB LEU A 47 -9.048 -5.371 4.456 1.00 0.00 C ATOM 729 CG LEU A 47 -7.524 -5.411 4.575 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.877 -4.811 3.340 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.070 -4.674 5.822 1.00 0.00 C ATOM 0 H LEU A 47 -11.480 -5.438 3.947 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.192 -5.762 2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.363 -4.331 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.480 -5.760 5.378 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.212 -6.452 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.793 -4.848 3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.178 -5.379 2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.196 -3.774 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.983 -4.712 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.394 -3.635 5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.507 -5.145 6.702 1.00 0.00 H new ATOM 743 N LEU A 48 -8.754 -8.200 2.343 1.00 0.00 N ATOM 744 CA LEU A 48 -8.389 -9.602 2.327 1.00 0.00 C ATOM 745 C LEU A 48 -7.268 -9.848 3.316 1.00 0.00 C ATOM 746 O LEU A 48 -7.375 -10.711 4.188 1.00 0.00 O ATOM 747 CB LEU A 48 -7.948 -10.025 0.922 1.00 0.00 C ATOM 748 CG LEU A 48 -7.520 -11.489 0.786 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.692 -12.414 1.056 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.942 -11.752 -0.595 1.00 0.00 C ATOM 0 H LEU A 48 -8.579 -7.710 1.466 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.258 -10.195 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.768 -9.837 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.118 -9.390 0.613 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.745 -11.689 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.369 -13.450 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.062 -12.247 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.488 -12.211 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.644 -12.798 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.695 -11.533 -1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.072 -11.114 -0.753 1.00 0.00 H new ATOM 762 N LYS A 49 -6.217 -9.048 3.195 1.00 0.00 N ATOM 763 CA LYS A 49 -5.021 -9.210 4.006 1.00 0.00 C ATOM 764 C LYS A 49 -3.927 -8.262 3.536 1.00 0.00 C ATOM 765 O LYS A 49 -3.880 -7.877 2.365 1.00 0.00 O ATOM 766 CB LYS A 49 -4.497 -10.653 3.932 1.00 0.00 C ATOM 767 CG LYS A 49 -3.339 -10.932 4.876 1.00 0.00 C ATOM 768 CD LYS A 49 -2.751 -12.314 4.652 1.00 0.00 C ATOM 769 CE LYS A 49 -1.550 -12.555 5.552 1.00 0.00 C ATOM 770 NZ LYS A 49 -0.489 -11.530 5.351 1.00 0.00 N ATOM 0 H LYS A 49 -6.171 -8.272 2.534 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.288 -8.979 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.313 -11.339 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.180 -10.863 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.564 -10.179 4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.681 -10.845 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.511 -13.071 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.454 -12.420 3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.870 -12.546 6.594 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.140 -13.545 5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.374 -11.821 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.285 -11.436 4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.814 -10.616 5.724 1.00 0.00 H new ATOM 784 N TYR A 50 -3.072 -7.872 4.462 1.00 0.00 N ATOM 785 CA TYR A 50 -1.840 -7.176 4.136 1.00 0.00 C ATOM 786 C TYR A 50 -0.683 -7.928 4.779 1.00 0.00 C ATOM 787 O TYR A 50 -0.909 -8.813 5.607 1.00 0.00 O ATOM 788 CB TYR A 50 -1.884 -5.719 4.615 1.00 0.00 C ATOM 789 CG TYR A 50 -2.200 -5.562 6.087 1.00 0.00 C ATOM 790 CD1 TYR A 50 -1.196 -5.620 7.044 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.502 -5.354 6.517 1.00 0.00 C ATOM 792 CE1 TYR A 50 -1.481 -5.481 8.385 1.00 0.00 C ATOM 793 CE2 TYR A 50 -3.796 -5.213 7.859 1.00 0.00 C ATOM 794 CZ TYR A 50 -2.781 -5.276 8.788 1.00 0.00 C ATOM 795 OH TYR A 50 -3.068 -5.138 10.125 1.00 0.00 O ATOM 0 H TYR A 50 -3.211 -8.028 5.460 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.708 -7.149 3.054 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.921 -5.251 4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.632 -5.179 4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.174 -5.777 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.299 -5.301 5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.688 -5.533 9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.816 -5.054 8.178 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.031 -4.999 10.240 1.00 0.00 H new ATOM 805 N ASP A 51 0.543 -7.607 4.402 1.00 0.00 N ATOM 806 CA ASP A 51 1.697 -8.283 4.984 1.00 0.00 C ATOM 807 C ASP A 51 2.000 -7.709 6.362 1.00 0.00 C ATOM 808 O ASP A 51 1.679 -6.556 6.645 1.00 0.00 O ATOM 809 CB ASP A 51 2.929 -8.173 4.079 1.00 0.00 C ATOM 810 CG ASP A 51 4.085 -9.014 4.596 1.00 0.00 C ATOM 811 OD1 ASP A 51 4.103 -10.235 4.324 1.00 0.00 O ATOM 812 OD2 ASP A 51 4.962 -8.470 5.298 1.00 0.00 O ATOM 0 H ASP A 51 0.767 -6.895 3.707 1.00 0.00 H new ATOM 0 HA ASP A 51 1.452 -9.340 5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.669 -8.493 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.239 -7.130 4.012 1.00 0.00 H new ATOM 817 N SER A 52 2.612 -8.519 7.212 1.00 0.00 N ATOM 818 CA SER A 52 2.888 -8.129 8.586 1.00 0.00 C ATOM 819 C SER A 52 3.856 -6.947 8.662 1.00 0.00 C ATOM 820 O SER A 52 3.817 -6.170 9.619 1.00 0.00 O ATOM 821 CB SER A 52 3.450 -9.322 9.355 1.00 0.00 C ATOM 822 OG SER A 52 2.561 -10.427 9.297 1.00 0.00 O ATOM 0 H SER A 52 2.929 -9.458 6.972 1.00 0.00 H new ATOM 0 HA SER A 52 1.950 -7.809 9.038 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.416 -9.606 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.621 -9.042 10.394 1.00 0.00 H new ATOM 0 HG SER A 52 2.942 -11.180 9.795 1.00 0.00 H new ATOM 828 N GLU A 53 4.708 -6.796 7.654 1.00 0.00 N ATOM 829 CA GLU A 53 5.691 -5.722 7.660 1.00 0.00 C ATOM 830 C GLU A 53 5.057 -4.399 7.236 1.00 0.00 C ATOM 831 O GLU A 53 5.040 -4.049 6.056 1.00 0.00 O ATOM 832 CB GLU A 53 6.874 -6.062 6.753 1.00 0.00 C ATOM 833 CG GLU A 53 7.991 -5.029 6.790 1.00 0.00 C ATOM 834 CD GLU A 53 9.178 -5.427 5.940 1.00 0.00 C ATOM 835 OE1 GLU A 53 9.137 -5.210 4.713 1.00 0.00 O ATOM 836 OE2 GLU A 53 10.158 -5.967 6.497 1.00 0.00 O ATOM 0 H GLU A 53 4.738 -7.398 6.831 1.00 0.00 H new ATOM 0 HA GLU A 53 6.060 -5.613 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.278 -7.031 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.517 -6.162 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.606 -4.070 6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.317 -4.888 7.820 1.00 0.00 H new ATOM 843 N ILE A 54 4.497 -3.693 8.209 1.00 0.00 N ATOM 844 CA ILE A 54 3.958 -2.357 7.981 1.00 0.00 C ATOM 845 C ILE A 54 4.386 -1.412 9.099 1.00 0.00 C ATOM 846 O ILE A 54 4.705 -0.248 8.860 1.00 0.00 O ATOM 847 CB ILE A 54 2.411 -2.345 7.878 1.00 0.00 C ATOM 848 CG1 ILE A 54 1.774 -2.932 9.141 1.00 0.00 C ATOM 849 CG2 ILE A 54 1.947 -3.106 6.643 1.00 0.00 C ATOM 850 CD1 ILE A 54 0.281 -2.696 9.228 1.00 0.00 C ATOM 0 H ILE A 54 4.403 -4.025 9.169 1.00 0.00 H new ATOM 0 HA ILE A 54 4.362 -2.022 7.026 1.00 0.00 H new ATOM 0 HB ILE A 54 2.088 -1.308 7.785 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.967 -4.004 9.171 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.255 -2.497 10.017 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.858 -3.085 6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.363 -2.639 5.750 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.287 -4.140 6.703 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.104 -3.138 10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.081 -1.624 9.229 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.211 -3.155 8.370 1.00 0.00 H new ATOM 862 N LEU A 55 4.399 -1.921 10.326 1.00 0.00 N ATOM 863 CA LEU A 55 4.767 -1.114 11.477 1.00 0.00 C ATOM 864 C LEU A 55 6.278 -1.057 11.628 1.00 0.00 C ATOM 865 O LEU A 55 6.931 -2.069 11.881 1.00 0.00 O ATOM 866 CB LEU A 55 4.123 -1.661 12.755 1.00 0.00 C ATOM 867 CG LEU A 55 2.594 -1.598 12.785 1.00 0.00 C ATOM 868 CD1 LEU A 55 2.062 -2.160 14.094 1.00 0.00 C ATOM 869 CD2 LEU A 55 2.113 -0.167 12.586 1.00 0.00 C ATOM 0 H LEU A 55 4.159 -2.888 10.546 1.00 0.00 H new ATOM 0 HA LEU A 55 4.396 -0.102 11.313 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.432 -2.698 12.885 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.512 -1.104 13.607 1.00 0.00 H new ATOM 0 HG LEU A 55 2.210 -2.207 11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.973 -2.107 14.097 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.375 -3.199 14.198 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.456 -1.578 14.927 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.024 -0.143 12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.508 0.464 13.382 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.463 0.204 11.622 1.00 0.00 H new ATOM 881 N GLY A 56 6.819 0.133 11.453 1.00 0.00 N ATOM 882 CA GLY A 56 8.243 0.339 11.560 1.00 0.00 C ATOM 883 C GLY A 56 8.583 1.793 11.353 1.00 0.00 C ATOM 884 O GLY A 56 7.938 2.666 11.930 1.00 0.00 O ATOM 0 H GLY A 56 6.286 0.975 11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.591 0.014 12.541 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.761 -0.271 10.820 1.00 0.00 H new ATOM 888 N VAL A 57 9.575 2.060 10.522 1.00 0.00 N ATOM 889 CA VAL A 57 9.948 3.428 10.192 1.00 0.00 C ATOM 890 C VAL A 57 10.178 3.560 8.693 1.00 0.00 C ATOM 891 O VAL A 57 10.469 2.569 8.023 1.00 0.00 O ATOM 892 CB VAL A 57 11.226 3.879 10.943 1.00 0.00 C ATOM 893 CG1 VAL A 57 11.000 3.894 12.448 1.00 0.00 C ATOM 894 CG2 VAL A 57 12.408 2.985 10.590 1.00 0.00 C ATOM 0 H VAL A 57 10.140 1.346 10.061 1.00 0.00 H new ATOM 0 HA VAL A 57 9.125 4.071 10.505 1.00 0.00 H new ATOM 0 HB VAL A 57 11.457 4.895 10.624 1.00 0.00 H new ATOM 0 HG11 VAL A 57 11.913 4.214 12.950 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.192 4.586 12.688 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.732 2.893 12.786 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.293 3.322 11.130 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.182 1.956 10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.596 3.037 9.518 1.00 0.00 H new ATOM 904 N PHE A 58 10.012 4.769 8.165 1.00 0.00 N ATOM 905 CA PHE A 58 10.365 5.040 6.775 1.00 0.00 C ATOM 906 C PHE A 58 11.841 4.744 6.555 1.00 0.00 C ATOM 907 O PHE A 58 12.711 5.434 7.095 1.00 0.00 O ATOM 908 CB PHE A 58 10.068 6.494 6.397 1.00 0.00 C ATOM 909 CG PHE A 58 8.608 6.804 6.224 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.986 6.598 5.003 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.862 7.313 7.272 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.647 6.891 4.834 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.525 7.612 7.108 1.00 0.00 C ATOM 914 CZ PHE A 58 5.916 7.400 5.888 1.00 0.00 C ATOM 0 H PHE A 58 9.639 5.571 8.673 1.00 0.00 H new ATOM 0 HA PHE A 58 9.759 4.395 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.477 7.148 7.167 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.589 6.729 5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.555 6.204 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.332 7.478 8.230 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.173 6.722 3.879 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.955 8.012 7.934 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.869 7.632 5.758 1.00 0.00 H new ATOM 924 N THR A 59 12.110 3.714 5.774 1.00 0.00 N ATOM 925 CA THR A 59 13.460 3.224 5.582 1.00 0.00 C ATOM 926 C THR A 59 14.231 4.033 4.543 1.00 0.00 C ATOM 927 O THR A 59 13.700 4.966 3.943 1.00 0.00 O ATOM 928 CB THR A 59 13.427 1.742 5.177 1.00 0.00 C ATOM 929 OG1 THR A 59 12.382 1.516 4.215 1.00 0.00 O ATOM 930 CG2 THR A 59 13.199 0.863 6.396 1.00 0.00 C ATOM 0 H THR A 59 11.400 3.196 5.257 1.00 0.00 H new ATOM 0 HA THR A 59 13.984 3.336 6.531 1.00 0.00 H new ATOM 0 HB THR A 59 14.388 1.485 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.716 1.718 3.316 1.00 0.00 H new ATOM 0 HG21 THR A 59 13.178 -0.183 6.091 1.00 0.00 H new ATOM 0 HG22 THR A 59 14.007 1.017 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.248 1.124 6.860 1.00 0.00 H new ATOM 938 N GLU A 60 15.487 3.653 4.333 1.00 0.00 N ATOM 939 CA GLU A 60 16.371 4.350 3.404 1.00 0.00 C ATOM 940 C GLU A 60 16.222 3.778 2.000 1.00 0.00 C ATOM 941 O GLU A 60 16.954 4.139 1.077 1.00 0.00 O ATOM 942 CB GLU A 60 17.815 4.212 3.879 1.00 0.00 C ATOM 943 CG GLU A 60 18.028 4.718 5.294 1.00 0.00 C ATOM 944 CD GLU A 60 19.365 4.311 5.865 1.00 0.00 C ATOM 945 OE1 GLU A 60 20.366 5.009 5.608 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.420 3.283 6.574 1.00 0.00 O ATOM 0 H GLU A 60 15.920 2.856 4.800 1.00 0.00 H new ATOM 0 HA GLU A 60 16.100 5.405 3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.110 3.164 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.468 4.761 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.950 5.805 5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.233 4.337 5.935 1.00 0.00 H new ATOM 953 N SER A 61 15.271 2.873 1.864 1.00 0.00 N ATOM 954 CA SER A 61 14.962 2.250 0.595 1.00 0.00 C ATOM 955 C SER A 61 13.447 2.124 0.474 1.00 0.00 C ATOM 956 O SER A 61 12.769 1.886 1.478 1.00 0.00 O ATOM 957 CB SER A 61 15.636 0.873 0.510 1.00 0.00 C ATOM 958 OG SER A 61 15.480 0.291 -0.773 1.00 0.00 O ATOM 0 H SER A 61 14.689 2.549 2.637 1.00 0.00 H new ATOM 0 HA SER A 61 15.340 2.858 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.697 0.973 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.209 0.212 1.264 1.00 0.00 H new ATOM 0 HG SER A 61 15.922 -0.583 -0.792 1.00 0.00 H new ATOM 964 N PRO A 62 12.895 2.318 -0.738 1.00 0.00 N ATOM 965 CA PRO A 62 11.450 2.232 -0.979 1.00 0.00 C ATOM 966 C PRO A 62 10.855 0.903 -0.517 1.00 0.00 C ATOM 967 O PRO A 62 11.158 -0.155 -1.072 1.00 0.00 O ATOM 968 CB PRO A 62 11.326 2.376 -2.499 1.00 0.00 C ATOM 969 CG PRO A 62 12.560 3.096 -2.915 1.00 0.00 C ATOM 970 CD PRO A 62 13.638 2.647 -1.967 1.00 0.00 C ATOM 0 HA PRO A 62 10.904 2.993 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.254 1.402 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.431 2.935 -2.772 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.822 2.858 -3.946 1.00 0.00 H new ATOM 0 HG3 PRO A 62 12.419 4.176 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.179 1.783 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.374 3.432 -1.794 1.00 0.00 H new ATOM 978 N GLN A 63 10.023 0.968 0.512 1.00 0.00 N ATOM 979 CA GLN A 63 9.372 -0.216 1.054 1.00 0.00 C ATOM 980 C GLN A 63 8.090 -0.486 0.279 1.00 0.00 C ATOM 981 O GLN A 63 7.450 0.448 -0.200 1.00 0.00 O ATOM 982 CB GLN A 63 9.077 -0.012 2.541 1.00 0.00 C ATOM 983 CG GLN A 63 8.708 -1.283 3.284 1.00 0.00 C ATOM 984 CD GLN A 63 8.619 -1.072 4.784 1.00 0.00 C ATOM 985 OE1 GLN A 63 7.555 -0.782 5.323 1.00 0.00 O ATOM 986 NE2 GLN A 63 9.749 -1.182 5.460 1.00 0.00 N ATOM 0 H GLN A 63 9.781 1.835 0.992 1.00 0.00 H new ATOM 0 HA GLN A 63 10.031 -1.078 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.952 0.431 3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.262 0.704 2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.751 -1.652 2.914 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.450 -2.053 3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.612 -1.425 4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.758 -1.024 6.468 1.00 0.00 H new ATOM 995 N THR A 64 7.722 -1.744 0.128 1.00 0.00 N ATOM 996 CA THR A 64 6.552 -2.098 -0.654 1.00 0.00 C ATOM 997 C THR A 64 5.512 -2.813 0.203 1.00 0.00 C ATOM 998 O THR A 64 5.770 -3.899 0.726 1.00 0.00 O ATOM 999 CB THR A 64 6.949 -2.992 -1.843 1.00 0.00 C ATOM 1000 OG1 THR A 64 8.051 -2.396 -2.543 1.00 0.00 O ATOM 1001 CG2 THR A 64 5.782 -3.187 -2.798 1.00 0.00 C ATOM 0 H THR A 64 8.216 -2.538 0.536 1.00 0.00 H new ATOM 0 HA THR A 64 6.113 -1.174 -1.031 1.00 0.00 H new ATOM 0 HB THR A 64 7.239 -3.969 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.305 -2.966 -3.299 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.093 -3.822 -3.627 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.954 -3.659 -2.269 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.461 -2.219 -3.183 1.00 0.00 H new ATOM 1009 N ILE A 65 4.343 -2.204 0.351 1.00 0.00 N ATOM 1010 CA ILE A 65 3.265 -2.802 1.124 1.00 0.00 C ATOM 1011 C ILE A 65 2.161 -3.295 0.202 1.00 0.00 C ATOM 1012 O ILE A 65 1.660 -2.546 -0.644 1.00 0.00 O ATOM 1013 CB ILE A 65 2.662 -1.815 2.149 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.729 -1.343 3.138 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.499 -2.463 2.895 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.208 -0.359 4.163 1.00 0.00 C ATOM 0 H ILE A 65 4.118 -1.296 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 65 3.698 -3.639 1.671 1.00 0.00 H new ATOM 0 HB ILE A 65 2.287 -0.947 1.606 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.143 -2.209 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.547 -0.881 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.087 -1.754 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.725 -2.750 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.853 -3.348 3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.018 -0.067 4.832 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.820 0.524 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.410 -0.825 4.742 1.00 0.00 H new ATOM 1028 N ASN A 66 1.789 -4.556 0.360 1.00 0.00 N ATOM 1029 CA ASN A 66 0.722 -5.141 -0.435 1.00 0.00 C ATOM 1030 C ASN A 66 -0.570 -5.179 0.368 1.00 0.00 C ATOM 1031 O ASN A 66 -0.723 -5.998 1.276 1.00 0.00 O ATOM 1032 CB ASN A 66 1.088 -6.558 -0.895 1.00 0.00 C ATOM 1033 CG ASN A 66 2.335 -6.598 -1.758 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.665 -5.630 -2.443 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.030 -7.725 -1.742 1.00 0.00 N ATOM 0 H ASN A 66 2.212 -5.195 1.033 1.00 0.00 H new ATOM 0 HA ASN A 66 0.581 -4.518 -1.318 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.238 -7.191 -0.020 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.253 -6.980 -1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.872 -7.813 -2.311 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.723 -8.505 -1.161 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.484 -4.276 0.051 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.782 -4.238 0.704 1.00 0.00 C ATOM 1044 C ILE A 67 -3.842 -4.766 -0.254 1.00 0.00 C ATOM 1045 O ILE A 67 -4.138 -4.138 -1.267 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.149 -2.807 1.159 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.087 -2.270 2.124 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.520 -2.790 1.816 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.370 -0.872 2.631 1.00 0.00 C ATOM 0 H ILE A 67 -1.349 -3.556 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.736 -4.866 1.594 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.182 -2.162 0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.009 -2.946 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.119 -2.275 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.761 -1.774 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.269 -3.137 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.515 -3.447 2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.574 -0.562 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.418 -0.182 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.322 -0.863 3.162 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.398 -5.926 0.060 1.00 0.00 N ATOM 1062 CA ILE A 68 -5.301 -6.604 -0.858 1.00 0.00 C ATOM 1063 C ILE A 68 -6.750 -6.485 -0.399 1.00 0.00 C ATOM 1064 O ILE A 68 -7.067 -6.762 0.757 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.931 -8.098 -0.995 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -3.433 -8.250 -1.274 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.745 -8.746 -2.107 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.938 -9.678 -1.201 1.00 0.00 C ATOM 0 H ILE A 68 -4.241 -6.416 0.940 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.197 -6.118 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.164 -8.602 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.215 -7.851 -2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.877 -7.646 -0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.473 -9.798 -2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.807 -8.663 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.538 -8.241 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.869 -9.704 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.122 -10.076 -0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.466 -10.284 -1.937 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.618 -6.069 -1.306 1.00 0.00 N ATOM 1081 CA TYR A 69 -9.042 -5.958 -1.022 1.00 0.00 C ATOM 1082 C TYR A 69 -9.822 -6.985 -1.830 1.00 0.00 C ATOM 1083 O TYR A 69 -9.881 -6.911 -3.052 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.551 -4.551 -1.341 1.00 0.00 C ATOM 1085 CG TYR A 69 -9.086 -3.493 -0.368 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.831 -3.195 0.766 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -7.907 -2.792 -0.581 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -9.414 -2.231 1.660 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -7.483 -1.825 0.310 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.240 -1.547 1.427 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.822 -0.583 2.315 1.00 0.00 O ATOM 0 H TYR A 69 -7.359 -5.800 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.193 -6.150 0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.224 -4.276 -2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.641 -4.564 -1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.752 -3.727 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.312 -3.006 -1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.004 -2.013 2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.562 -1.289 0.132 1.00 0.00 H new ATOM 0 HH TYR A 69 -6.976 -0.197 2.005 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.453 -7.917 -1.136 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.161 -9.001 -1.791 1.00 0.00 C ATOM 1103 C GLN A 70 -12.614 -8.619 -2.020 1.00 0.00 C ATOM 1104 O GLN A 70 -13.235 -7.952 -1.190 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.091 -10.276 -0.944 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.929 -11.425 -1.492 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.958 -12.626 -0.569 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.064 -13.576 -0.795 1.00 0.00 O flip ATOM 1109 NE2 GLN A 70 -12.794 -12.709 0.330 1.00 0.00 N flip ATOM 0 H GLN A 70 -10.489 -7.944 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.685 -9.189 -2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.052 -10.598 -0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.423 -10.047 0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.948 -11.077 -1.659 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.532 -11.727 -2.461 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.466 -11.955 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.815 -13.531 0.933 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.137 -9.032 -3.163 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.533 -8.815 -3.494 1.00 0.00 C ATOM 1120 C LYS A 71 -15.415 -9.550 -2.491 1.00 0.00 C ATOM 1121 O LYS A 71 -15.335 -10.771 -2.371 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.814 -9.325 -4.911 1.00 0.00 C ATOM 1123 CG LYS A 71 -13.804 -8.843 -5.940 1.00 0.00 C ATOM 1124 CD LYS A 71 -14.015 -9.516 -7.287 1.00 0.00 C ATOM 1125 CE LYS A 71 -12.914 -9.154 -8.271 1.00 0.00 C ATOM 1126 NZ LYS A 71 -11.570 -9.561 -7.780 1.00 0.00 N ATOM 0 H LYS A 71 -12.608 -9.524 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.754 -7.749 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.820 -10.415 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.811 -9.004 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.888 -7.762 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.794 -9.048 -5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.044 -10.597 -7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.981 -9.219 -7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.111 -9.636 -9.229 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.925 -8.078 -8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.894 -9.550 -8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.254 -8.898 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.622 -10.521 -7.382 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.241 -8.809 -1.764 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.114 -9.412 -0.761 1.00 0.00 C ATOM 1142 C LYS A 72 -18.376 -9.970 -1.409 1.00 0.00 C ATOM 1143 O LYS A 72 -19.307 -10.396 -0.726 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.475 -8.396 0.327 1.00 0.00 C ATOM 1145 CG LYS A 72 -18.249 -7.191 -0.177 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.590 -6.238 0.959 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.428 -5.064 0.478 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.691 -5.500 -0.172 1.00 0.00 N ATOM 0 H LYS A 72 -16.326 -7.796 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.574 -10.236 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.065 -8.897 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.558 -8.051 0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.660 -6.667 -0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.166 -7.523 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -19.132 -6.777 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.670 -5.867 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.662 -4.417 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.846 -4.470 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.344 -4.693 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -20.485 -5.857 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -21.129 -6.255 0.393 1.00 0.00 H new