USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 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 59 ASN : amide:sc= -1.13 K(o=-1.3,f=-6.6!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.207 K(o=-1.3,f=-4.7) USER MOD Set 2.1: A 47 SER OG : rot -110:sc= 0.521 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -0.226 X(o=0.3,f=-0.19) USER MOD Set 3.1: A 4 ASN : amide:sc= 0.688 K(o=1.6,f=-2.5) USER MOD Set 3.2: A 30 LYS NZ :NH3+ -174:sc= 0.897 (180deg=-0.0612) USER MOD Set 4.1: A 16 SER OG : rot -27:sc= 0.279 USER MOD Set 4.2: A 56 GLN : amide:sc= 1.12 K(o=1.4,f=-4!) USER MOD Single : A 6 THR OG1 : rot 160:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.7!) USER MOD Single : A 22 ASN : amide:sc= 0.991 K(o=0.99,f=-1.5) USER MOD Single : A 24 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.53) USER MOD Single : A 25 THR OG1 : rot -10:sc= 0.539 USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0373 (180deg=-0.249) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -86:sc= 0.0536 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 16:sc= 0.239 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc=-0.000867 (180deg=-0.159) USER MOD Single : A 57 TYR OH : rot -22:sc= -0.715 USER MOD Single : A 74 MET CE :methyl -172:sc= -1.17 (180deg=-1.19) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0473 F(o=-0.81,f=-0.047) USER MOD Single : A 83 ASN : amide:sc= 0.0939 X(o=0.094,f=-0.057) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= -0.0127 (180deg=-0.174) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc=-0.00931 (180deg=-0.266) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N ASN A 4 9.736 10.298 0.646 1.00 0.00 N ATOM 25 CA ASN A 4 9.683 9.402 1.797 1.00 0.00 C ATOM 26 C ASN A 4 8.393 9.598 2.604 1.00 0.00 C ATOM 27 O ASN A 4 8.169 8.908 3.597 1.00 0.00 O ATOM 28 CB ASN A 4 10.920 9.659 2.663 1.00 0.00 C ATOM 29 CG ASN A 4 11.123 8.583 3.721 1.00 0.00 C ATOM 30 OD1 ASN A 4 10.792 7.419 3.507 1.00 0.00 O ATOM 31 ND2 ASN A 4 11.676 8.961 4.868 1.00 0.00 N ATOM 0 HA ASN A 4 9.680 8.368 1.453 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.803 9.708 2.025 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.824 10.630 3.150 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.838 8.276 5.606 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.938 9.936 5.011 1.00 0.00 H new ATOM 38 N VAL A 5 7.542 10.539 2.181 1.00 0.00 N ATOM 39 CA VAL A 5 6.315 10.869 2.889 1.00 0.00 C ATOM 40 C VAL A 5 5.146 10.038 2.369 1.00 0.00 C ATOM 41 O VAL A 5 4.925 9.964 1.160 1.00 0.00 O ATOM 42 CB VAL A 5 6.048 12.374 2.778 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.731 12.754 3.453 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.179 13.154 3.456 1.00 0.00 C ATOM 0 H VAL A 5 7.691 11.090 1.336 1.00 0.00 H new ATOM 0 HA VAL A 5 6.429 10.622 3.945 1.00 0.00 H new ATOM 0 HB VAL A 5 5.992 12.622 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.570 13.828 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.910 12.220 2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.773 12.486 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.984 14.223 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.234 12.875 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.126 12.920 2.969 1.00 0.00 H new ATOM 54 N THR A 6 4.400 9.420 3.286 1.00 0.00 N ATOM 55 CA THR A 6 3.251 8.581 2.957 1.00 0.00 C ATOM 56 C THR A 6 2.168 8.647 4.038 1.00 0.00 C ATOM 57 O THR A 6 1.255 7.825 4.027 1.00 0.00 O ATOM 58 CB THR A 6 3.673 7.120 2.756 1.00 0.00 C ATOM 59 OG1 THR A 6 4.355 6.648 3.898 1.00 0.00 O ATOM 60 CG2 THR A 6 4.588 6.941 1.547 1.00 0.00 C ATOM 0 H THR A 6 4.580 9.490 4.288 1.00 0.00 H new ATOM 0 HA THR A 6 2.838 8.970 2.026 1.00 0.00 H new ATOM 0 HB THR A 6 2.758 6.552 2.588 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.337 5.668 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.858 5.890 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.069 7.269 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.491 7.537 1.683 1.00 0.00 H new ATOM 68 N ASN A 7 2.241 9.600 4.976 1.00 0.00 N ATOM 69 CA ASN A 7 1.254 9.686 6.049 1.00 0.00 C ATOM 70 C ASN A 7 0.594 11.066 6.106 1.00 0.00 C ATOM 71 O ASN A 7 1.225 12.055 6.479 1.00 0.00 O ATOM 72 CB ASN A 7 1.904 9.320 7.386 1.00 0.00 C ATOM 73 CG ASN A 7 0.872 9.190 8.500 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.309 9.456 8.310 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.318 8.778 9.682 1.00 0.00 N ATOM 0 H ASN A 7 2.968 10.314 5.010 1.00 0.00 H new ATOM 0 HA ASN A 7 0.460 8.969 5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.446 8.380 7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.636 10.082 7.655 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.671 8.675 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.307 8.565 9.808 1.00 0.00 H new ATOM 210 N SER A 16 -5.636 7.824 -2.220 1.00 0.00 N ATOM 211 CA SER A 16 -4.703 7.440 -3.268 1.00 0.00 C ATOM 212 C SER A 16 -3.517 6.669 -2.686 1.00 0.00 C ATOM 213 O SER A 16 -2.565 6.354 -3.397 1.00 0.00 O ATOM 214 CB SER A 16 -4.244 8.686 -4.021 1.00 0.00 C ATOM 215 OG SER A 16 -3.614 9.581 -3.130 1.00 0.00 O ATOM 0 HA SER A 16 -5.205 6.774 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.554 8.407 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.098 9.171 -4.494 1.00 0.00 H new ATOM 0 HG SER A 16 -3.969 9.447 -2.226 1.00 0.00 H new ATOM 221 N ARG A 17 -3.573 6.364 -1.388 1.00 0.00 N ATOM 222 CA ARG A 17 -2.526 5.649 -0.671 1.00 0.00 C ATOM 223 C ARG A 17 -2.853 4.164 -0.615 1.00 0.00 C ATOM 224 O ARG A 17 -4.024 3.782 -0.661 1.00 0.00 O ATOM 225 CB ARG A 17 -2.424 6.235 0.733 1.00 0.00 C ATOM 226 CG ARG A 17 -1.196 5.722 1.487 1.00 0.00 C ATOM 227 CD ARG A 17 -1.185 6.339 2.883 1.00 0.00 C ATOM 228 NE ARG A 17 -1.285 7.794 2.777 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.937 8.581 3.628 1.00 0.00 C ATOM 230 NH1 ARG A 17 -2.467 8.104 4.751 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.065 9.872 3.345 1.00 0.00 N ATOM 0 H ARG A 17 -4.366 6.614 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.571 5.760 -1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.380 7.322 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.324 5.985 1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.222 4.634 1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.285 5.987 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.016 5.949 3.470 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.269 6.064 3.406 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.818 8.241 1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.378 7.113 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.962 8.729 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.666 10.248 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.562 10.488 3.988 1.00 0.00 H new ATOM 245 N VAL A 18 -1.824 3.324 -0.510 1.00 0.00 N ATOM 246 CA VAL A 18 -2.000 1.889 -0.368 1.00 0.00 C ATOM 247 C VAL A 18 -1.148 1.369 0.781 1.00 0.00 C ATOM 248 O VAL A 18 0.035 1.688 0.885 1.00 0.00 O ATOM 249 CB VAL A 18 -1.657 1.174 -1.673 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.803 -0.333 -1.504 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.627 1.634 -2.761 1.00 0.00 C ATOM 0 H VAL A 18 -0.849 3.623 -0.522 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.046 1.683 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.629 1.411 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.555 -0.830 -2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.128 -0.678 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.830 -0.570 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.390 1.129 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.647 1.390 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.536 2.712 -2.897 1.00 0.00 H new ATOM 261 N PHE A 19 -1.771 0.561 1.634 1.00 0.00 N ATOM 262 CA PHE A 19 -1.109 -0.104 2.742 1.00 0.00 C ATOM 263 C PHE A 19 -0.643 -1.488 2.284 1.00 0.00 C ATOM 264 O PHE A 19 -1.394 -2.207 1.632 1.00 0.00 O ATOM 265 CB PHE A 19 -2.092 -0.200 3.908 1.00 0.00 C ATOM 266 CG PHE A 19 -1.585 -1.010 5.078 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.360 -0.690 5.684 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.343 -2.086 5.562 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.103 -1.442 6.771 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.876 -2.841 6.648 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.651 -2.522 7.250 1.00 0.00 C ATOM 0 H PHE A 19 -2.767 0.349 1.570 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.234 0.456 3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.330 0.806 4.253 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.022 -0.642 3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.226 0.137 5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.287 -2.333 5.098 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.042 -1.189 7.241 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.461 -3.669 7.021 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.289 -3.108 8.082 1.00 0.00 H new ATOM 281 N ILE A 20 0.593 -1.857 2.632 1.00 0.00 N ATOM 282 CA ILE A 20 1.172 -3.141 2.258 1.00 0.00 C ATOM 283 C ILE A 20 1.583 -3.861 3.535 1.00 0.00 C ATOM 284 O ILE A 20 2.740 -3.804 3.950 1.00 0.00 O ATOM 285 CB ILE A 20 2.361 -2.933 1.310 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.918 -2.205 0.036 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.004 -4.277 0.940 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.118 -1.599 -0.689 1.00 0.00 C ATOM 0 H ILE A 20 1.218 -1.269 3.183 1.00 0.00 H new ATOM 0 HA ILE A 20 0.445 -3.751 1.722 1.00 0.00 H new ATOM 0 HB ILE A 20 3.098 -2.320 1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.402 -2.901 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.206 -1.419 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.844 -4.105 0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.358 -4.772 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.267 -4.909 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.779 -1.088 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.617 -0.886 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.816 -2.391 -0.962 1.00 0.00 H new ATOM 300 N GLY A 21 0.622 -4.535 4.156 1.00 0.00 N ATOM 301 CA GLY A 21 0.857 -5.301 5.365 1.00 0.00 C ATOM 302 C GLY A 21 1.402 -6.686 5.036 1.00 0.00 C ATOM 303 O GLY A 21 1.485 -7.068 3.869 1.00 0.00 O ATOM 0 H GLY A 21 -0.344 -4.563 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.563 -4.771 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.073 -5.396 5.926 1.00 0.00 H new ATOM 307 N ASN A 22 1.778 -7.437 6.074 1.00 0.00 N ATOM 308 CA ASN A 22 2.352 -8.765 5.931 1.00 0.00 C ATOM 309 C ASN A 22 3.475 -8.771 4.894 1.00 0.00 C ATOM 310 O ASN A 22 3.501 -9.611 4.000 1.00 0.00 O ATOM 311 CB ASN A 22 1.256 -9.786 5.603 1.00 0.00 C ATOM 312 CG ASN A 22 1.766 -11.219 5.701 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.782 -11.491 6.334 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.060 -12.152 5.073 1.00 0.00 N ATOM 0 H ASN A 22 1.689 -7.132 7.043 1.00 0.00 H new ATOM 0 HA ASN A 22 2.800 -9.057 6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.418 -9.651 6.287 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.879 -9.603 4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.358 -13.127 5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.220 -11.894 4.555 1.00 0.00 H new ATOM 321 N LEU A 23 4.410 -7.825 5.004 1.00 0.00 N ATOM 322 CA LEU A 23 5.538 -7.711 4.090 1.00 0.00 C ATOM 323 C LEU A 23 6.778 -8.330 4.741 1.00 0.00 C ATOM 324 O LEU A 23 6.958 -8.221 5.953 1.00 0.00 O ATOM 325 CB LEU A 23 5.711 -6.233 3.723 1.00 0.00 C ATOM 326 CG LEU A 23 6.830 -5.972 2.710 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.582 -6.679 1.380 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.918 -4.472 2.452 1.00 0.00 C ATOM 0 H LEU A 23 4.402 -7.114 5.736 1.00 0.00 H new ATOM 0 HA LEU A 23 5.369 -8.260 3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.772 -5.857 3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.916 -5.665 4.630 1.00 0.00 H new ATOM 0 HG LEU A 23 7.757 -6.361 3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.402 -6.464 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.520 -7.755 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.646 -6.324 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.712 -4.273 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.968 -4.115 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.137 -3.954 3.386 1.00 0.00 H new ATOM 340 N ASN A 24 7.638 -8.977 3.947 1.00 0.00 N ATOM 341 CA ASN A 24 8.817 -9.637 4.491 1.00 0.00 C ATOM 342 C ASN A 24 9.836 -8.617 5.003 1.00 0.00 C ATOM 343 O ASN A 24 10.494 -8.860 6.011 1.00 0.00 O ATOM 344 CB ASN A 24 9.453 -10.511 3.408 1.00 0.00 C ATOM 345 CG ASN A 24 10.519 -11.420 4.009 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.320 -12.017 5.062 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.661 -11.531 3.339 1.00 0.00 N ATOM 0 H ASN A 24 7.537 -9.054 2.935 1.00 0.00 H new ATOM 0 HA ASN A 24 8.510 -10.256 5.334 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.685 -11.114 2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.897 -9.880 2.638 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.407 -12.128 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.792 -11.020 2.466 1.00 0.00 H new ATOM 354 N THR A 25 9.947 -7.488 4.295 1.00 0.00 N ATOM 355 CA THR A 25 10.827 -6.352 4.583 1.00 0.00 C ATOM 356 C THR A 25 12.305 -6.700 4.776 1.00 0.00 C ATOM 357 O THR A 25 13.110 -5.812 5.056 1.00 0.00 O ATOM 358 CB THR A 25 10.276 -5.500 5.732 1.00 0.00 C ATOM 359 OG1 THR A 25 10.282 -6.200 6.957 1.00 0.00 O ATOM 360 CG2 THR A 25 8.840 -5.091 5.420 1.00 0.00 C ATOM 0 H THR A 25 9.390 -7.334 3.454 1.00 0.00 H new ATOM 0 HA THR A 25 10.819 -5.753 3.672 1.00 0.00 H new ATOM 0 HB THR A 25 10.920 -4.626 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.495 -7.143 6.794 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.448 -4.485 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.819 -4.512 4.497 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.225 -5.983 5.303 1.00 0.00 H new ATOM 368 N LEU A 26 12.673 -7.973 4.625 1.00 0.00 N ATOM 369 CA LEU A 26 14.052 -8.425 4.719 1.00 0.00 C ATOM 370 C LEU A 26 14.696 -8.528 3.337 1.00 0.00 C ATOM 371 O LEU A 26 15.919 -8.606 3.235 1.00 0.00 O ATOM 372 CB LEU A 26 14.080 -9.783 5.425 1.00 0.00 C ATOM 373 CG LEU A 26 14.383 -9.648 6.921 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.328 -8.826 7.659 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.443 -11.036 7.552 1.00 0.00 C ATOM 0 H LEU A 26 12.010 -8.724 4.432 1.00 0.00 H new ATOM 0 HA LEU A 26 14.627 -7.698 5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.119 -10.279 5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.833 -10.418 4.959 1.00 0.00 H new ATOM 0 HG LEU A 26 15.338 -9.131 7.011 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.590 -8.761 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.285 -7.823 7.234 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.355 -9.306 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.658 -10.943 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.485 -11.538 7.418 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.229 -11.620 7.073 1.00 0.00 H new ATOM 387 N VAL A 27 13.879 -8.530 2.277 1.00 0.00 N ATOM 388 CA VAL A 27 14.367 -8.614 0.906 1.00 0.00 C ATOM 389 C VAL A 27 13.818 -7.462 0.068 1.00 0.00 C ATOM 390 O VAL A 27 14.385 -7.126 -0.970 1.00 0.00 O ATOM 391 CB VAL A 27 13.988 -9.977 0.315 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.484 -10.136 -1.124 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.594 -11.110 1.149 1.00 0.00 C ATOM 0 H VAL A 27 12.863 -8.473 2.351 1.00 0.00 H new ATOM 0 HA VAL A 27 15.453 -8.525 0.899 1.00 0.00 H new ATOM 0 HB VAL A 27 12.899 -10.028 0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.193 -11.116 -1.503 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.042 -9.360 -1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.570 -10.046 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.315 -12.070 0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.680 -11.016 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.219 -11.051 2.171 1.00 0.00 H new ATOM 403 N VAL A 28 12.716 -6.847 0.511 1.00 0.00 N ATOM 404 CA VAL A 28 12.133 -5.696 -0.172 1.00 0.00 C ATOM 405 C VAL A 28 12.390 -4.430 0.639 1.00 0.00 C ATOM 406 O VAL A 28 12.325 -4.452 1.867 1.00 0.00 O ATOM 407 CB VAL A 28 10.639 -5.914 -0.422 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.031 -4.730 -1.177 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.431 -7.174 -1.262 1.00 0.00 C ATOM 0 H VAL A 28 12.209 -7.134 1.348 1.00 0.00 H new ATOM 0 HA VAL A 28 12.609 -5.579 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 28 10.151 -6.015 0.547 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.969 -4.910 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.158 -3.820 -0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.533 -4.615 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.365 -7.323 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.943 -7.063 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.836 -8.036 -0.732 1.00 0.00 H new ATOM 419 N LYS A 29 12.688 -3.330 -0.060 1.00 0.00 N ATOM 420 CA LYS A 29 12.984 -2.038 0.549 1.00 0.00 C ATOM 421 C LYS A 29 12.206 -0.942 -0.170 1.00 0.00 C ATOM 422 O LYS A 29 11.569 -1.180 -1.194 1.00 0.00 O ATOM 423 CB LYS A 29 14.493 -1.752 0.499 1.00 0.00 C ATOM 424 CG LYS A 29 15.307 -2.586 1.495 1.00 0.00 C ATOM 425 CD LYS A 29 15.694 -3.961 0.949 1.00 0.00 C ATOM 426 CE LYS A 29 16.560 -4.712 1.960 1.00 0.00 C ATOM 427 NZ LYS A 29 15.841 -4.937 3.232 1.00 0.00 N ATOM 0 H LYS A 29 12.730 -3.316 -1.079 1.00 0.00 H new ATOM 0 HA LYS A 29 12.679 -2.060 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.858 -1.946 -0.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.661 -0.694 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.212 -2.040 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.729 -2.714 2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.796 -4.538 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.236 -3.847 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.864 -5.670 1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.471 -4.145 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.353 -5.642 3.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.782 -4.043 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.882 -5.285 3.032 1.00 0.00 H new ATOM 441 N LYS A 30 12.263 0.274 0.376 1.00 0.00 N ATOM 442 CA LYS A 30 11.590 1.444 -0.179 1.00 0.00 C ATOM 443 C LYS A 30 12.169 1.852 -1.533 1.00 0.00 C ATOM 444 O LYS A 30 11.640 2.755 -2.180 1.00 0.00 O ATOM 445 CB LYS A 30 11.663 2.577 0.842 1.00 0.00 C ATOM 446 CG LYS A 30 13.108 2.916 1.217 1.00 0.00 C ATOM 447 CD LYS A 30 13.174 3.312 2.691 1.00 0.00 C ATOM 448 CE LYS A 30 12.288 4.522 3.002 1.00 0.00 C ATOM 449 NZ LYS A 30 12.742 5.729 2.285 1.00 0.00 N ATOM 0 H LYS A 30 12.786 0.474 1.228 1.00 0.00 H new ATOM 0 HA LYS A 30 10.545 1.200 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.176 3.464 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.112 2.293 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.754 2.058 1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.475 3.732 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.864 2.468 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.206 3.540 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.258 4.300 2.724 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.295 4.712 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.183 6.549 2.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.748 5.897 2.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.616 5.593 1.262 1.00 0.00 H new ATOM 463 N SER A 31 13.245 1.188 -1.959 1.00 0.00 N ATOM 464 CA SER A 31 13.846 1.384 -3.272 1.00 0.00 C ATOM 465 C SER A 31 13.371 0.301 -4.247 1.00 0.00 C ATOM 466 O SER A 31 13.769 0.300 -5.411 1.00 0.00 O ATOM 467 CB SER A 31 15.370 1.374 -3.147 1.00 0.00 C ATOM 468 OG SER A 31 15.780 2.361 -2.221 1.00 0.00 O ATOM 0 H SER A 31 13.727 0.491 -1.392 1.00 0.00 H new ATOM 0 HA SER A 31 13.533 2.350 -3.667 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.711 0.392 -2.820 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.825 1.563 -4.119 1.00 0.00 H new ATOM 0 HG SER A 31 16.757 2.350 -2.142 1.00 0.00 H new ATOM 474 N ASP A 32 12.521 -0.616 -3.774 1.00 0.00 N ATOM 475 CA ASP A 32 11.991 -1.715 -4.566 1.00 0.00 C ATOM 476 C ASP A 32 10.471 -1.596 -4.696 1.00 0.00 C ATOM 477 O ASP A 32 9.903 -1.960 -5.724 1.00 0.00 O ATOM 478 CB ASP A 32 12.368 -3.021 -3.873 1.00 0.00 C ATOM 479 CG ASP A 32 13.863 -3.307 -3.985 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.293 -3.709 -5.089 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.560 -3.121 -2.964 1.00 0.00 O ATOM 0 H ASP A 32 12.180 -0.609 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 32 12.411 -1.690 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.085 -2.970 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.806 -3.843 -4.315 1.00 0.00 H new ATOM 486 N VAL A 33 9.804 -1.083 -3.659 1.00 0.00 N ATOM 487 CA VAL A 33 8.361 -0.891 -3.695 1.00 0.00 C ATOM 488 C VAL A 33 8.016 0.110 -4.795 1.00 0.00 C ATOM 489 O VAL A 33 6.965 0.007 -5.421 1.00 0.00 O ATOM 490 CB VAL A 33 7.882 -0.404 -2.324 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.396 -0.067 -2.342 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.102 -1.497 -1.282 1.00 0.00 C ATOM 0 H VAL A 33 10.245 -0.794 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 33 7.856 -1.831 -3.918 1.00 0.00 H new ATOM 0 HB VAL A 33 8.453 0.491 -2.077 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.089 0.275 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.210 0.720 -3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.825 -0.955 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.760 -1.146 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.540 -2.387 -1.565 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.163 -1.740 -1.228 1.00 0.00 H new ATOM 502 N GLU A 34 8.906 1.076 -5.041 1.00 0.00 N ATOM 503 CA GLU A 34 8.713 2.072 -6.087 1.00 0.00 C ATOM 504 C GLU A 34 9.047 1.522 -7.475 1.00 0.00 C ATOM 505 O GLU A 34 9.062 2.273 -8.449 1.00 0.00 O ATOM 506 CB GLU A 34 9.522 3.335 -5.778 1.00 0.00 C ATOM 507 CG GLU A 34 11.026 3.055 -5.763 1.00 0.00 C ATOM 508 CD GLU A 34 11.847 4.326 -5.538 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.239 5.404 -5.360 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.093 4.208 -5.550 1.00 0.00 O ATOM 0 H GLU A 34 9.776 1.185 -4.520 1.00 0.00 H new ATOM 0 HA GLU A 34 7.655 2.335 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.302 4.099 -6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.217 3.735 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.252 2.334 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.318 2.598 -6.708 1.00 0.00 H new ATOM 517 N ALA A 35 9.314 0.217 -7.571 1.00 0.00 N ATOM 518 CA ALA A 35 9.600 -0.447 -8.835 1.00 0.00 C ATOM 519 C ALA A 35 8.685 -1.658 -9.039 1.00 0.00 C ATOM 520 O ALA A 35 8.696 -2.261 -10.111 1.00 0.00 O ATOM 521 CB ALA A 35 11.070 -0.859 -8.856 1.00 0.00 C ATOM 0 H ALA A 35 9.337 -0.408 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 35 9.407 0.242 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.295 -1.357 -9.799 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.698 0.027 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.269 -1.541 -8.029 1.00 0.00 H new ATOM 527 N ILE A 36 7.900 -2.016 -8.017 1.00 0.00 N ATOM 528 CA ILE A 36 6.965 -3.134 -8.088 1.00 0.00 C ATOM 529 C ILE A 36 5.523 -2.629 -8.079 1.00 0.00 C ATOM 530 O ILE A 36 4.636 -3.287 -8.624 1.00 0.00 O ATOM 531 CB ILE A 36 7.226 -4.068 -6.902 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.652 -4.625 -6.994 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.209 -5.213 -6.892 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.106 -5.228 -5.662 1.00 0.00 C ATOM 0 H ILE A 36 7.898 -1.535 -7.118 1.00 0.00 H new ATOM 0 HA ILE A 36 7.114 -3.681 -9.019 1.00 0.00 H new ATOM 0 HB ILE A 36 7.119 -3.506 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.697 -5.386 -7.773 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.337 -3.829 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.407 -5.868 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.202 -4.804 -6.807 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.293 -5.782 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.121 -5.613 -5.764 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.085 -4.460 -4.889 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.436 -6.041 -5.383 1.00 0.00 H new ATOM 546 N PHE A 37 5.280 -1.467 -7.470 1.00 0.00 N ATOM 547 CA PHE A 37 3.952 -0.880 -7.405 1.00 0.00 C ATOM 548 C PHE A 37 3.804 0.262 -8.414 1.00 0.00 C ATOM 549 O PHE A 37 2.703 0.772 -8.619 1.00 0.00 O ATOM 550 CB PHE A 37 3.679 -0.424 -5.973 1.00 0.00 C ATOM 551 CG PHE A 37 3.464 -1.569 -5.010 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.564 -2.267 -4.492 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.165 -1.937 -4.632 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.368 -3.339 -3.607 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.965 -3.004 -3.744 1.00 0.00 C ATOM 556 CZ PHE A 37 3.066 -3.708 -3.236 1.00 0.00 C ATOM 0 H PHE A 37 6.001 -0.911 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 37 3.207 -1.628 -7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.517 0.181 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.798 0.218 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.566 -1.979 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.316 -1.397 -5.026 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.217 -3.878 -3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.964 -3.283 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.912 -4.535 -2.559 1.00 0.00 H new ATOM 566 N SER A 38 4.910 0.665 -9.051 1.00 0.00 N ATOM 567 CA SER A 38 4.902 1.757 -10.019 1.00 0.00 C ATOM 568 C SER A 38 4.237 1.342 -11.328 1.00 0.00 C ATOM 569 O SER A 38 3.908 2.189 -12.156 1.00 0.00 O ATOM 570 CB SER A 38 6.337 2.201 -10.282 1.00 0.00 C ATOM 571 OG SER A 38 7.101 1.101 -10.733 1.00 0.00 O ATOM 0 H SER A 38 5.828 0.243 -8.908 1.00 0.00 H new ATOM 0 HA SER A 38 4.324 2.582 -9.603 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.351 2.996 -11.028 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.774 2.611 -9.371 1.00 0.00 H new ATOM 0 HG SER A 38 8.022 1.390 -10.903 1.00 0.00 H new ATOM 577 N LYS A 39 4.035 0.034 -11.519 1.00 0.00 N ATOM 578 CA LYS A 39 3.394 -0.513 -12.709 1.00 0.00 C ATOM 579 C LYS A 39 1.868 -0.474 -12.614 1.00 0.00 C ATOM 580 O LYS A 39 1.192 -0.702 -13.615 1.00 0.00 O ATOM 581 CB LYS A 39 3.910 -1.933 -12.920 1.00 0.00 C ATOM 582 CG LYS A 39 3.459 -2.840 -11.777 1.00 0.00 C ATOM 583 CD LYS A 39 4.328 -4.094 -11.708 1.00 0.00 C ATOM 584 CE LYS A 39 4.222 -4.912 -12.998 1.00 0.00 C ATOM 585 NZ LYS A 39 5.031 -6.143 -12.916 1.00 0.00 N ATOM 0 H LYS A 39 4.316 -0.677 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 39 3.650 0.104 -13.570 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.542 -2.323 -13.869 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.998 -1.926 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.517 -2.299 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.416 -3.122 -11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.367 -3.811 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.021 -4.706 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.179 -5.170 -13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.556 -4.309 -13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.941 -6.678 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.029 -5.893 -12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.695 -6.727 -12.124 1.00 0.00 H new ATOM 599 N TYR A 40 1.323 -0.185 -11.425 1.00 0.00 N ATOM 600 CA TYR A 40 -0.119 -0.075 -11.230 1.00 0.00 C ATOM 601 C TYR A 40 -0.548 1.382 -11.080 1.00 0.00 C ATOM 602 O TYR A 40 -1.736 1.695 -11.187 1.00 0.00 O ATOM 603 CB TYR A 40 -0.528 -0.904 -10.014 1.00 0.00 C ATOM 604 CG TYR A 40 -0.119 -2.352 -10.142 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.838 -3.214 -10.983 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.992 -2.827 -9.429 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.428 -4.548 -11.135 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.411 -4.154 -9.583 1.00 0.00 C ATOM 609 CZ TYR A 40 0.703 -5.020 -10.443 1.00 0.00 C ATOM 610 OH TYR A 40 1.118 -6.308 -10.604 1.00 0.00 O ATOM 0 H TYR A 40 1.870 -0.023 -10.579 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.628 -0.465 -12.111 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.075 -0.479 -9.118 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.609 -0.844 -9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.706 -2.852 -11.513 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.525 -2.168 -8.760 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.981 -5.212 -11.783 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.275 -4.514 -9.044 1.00 0.00 H new ATOM 0 HH TYR A 40 0.629 -6.889 -9.984 1.00 0.00 H new ATOM 620 N GLY A 41 0.406 2.279 -10.836 1.00 0.00 N ATOM 621 CA GLY A 41 0.133 3.704 -10.800 1.00 0.00 C ATOM 622 C GLY A 41 1.400 4.522 -10.594 1.00 0.00 C ATOM 623 O GLY A 41 2.417 4.000 -10.136 1.00 0.00 O ATOM 0 H GLY A 41 1.381 2.035 -10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.345 4.005 -11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.571 3.918 -9.996 1.00 0.00 H new ATOM 627 N LYS A 42 1.337 5.813 -10.937 1.00 0.00 N ATOM 628 CA LYS A 42 2.446 6.728 -10.749 1.00 0.00 C ATOM 629 C LYS A 42 2.610 7.013 -9.260 1.00 0.00 C ATOM 630 O LYS A 42 1.728 7.604 -8.642 1.00 0.00 O ATOM 631 CB LYS A 42 2.162 8.001 -11.550 1.00 0.00 C ATOM 632 CG LYS A 42 3.164 9.107 -11.220 1.00 0.00 C ATOM 633 CD LYS A 42 2.869 10.326 -12.092 1.00 0.00 C ATOM 634 CE LYS A 42 3.652 11.522 -11.558 1.00 0.00 C ATOM 635 NZ LYS A 42 3.446 12.713 -12.405 1.00 0.00 N ATOM 0 H LYS A 42 0.511 6.244 -11.352 1.00 0.00 H new ATOM 0 HA LYS A 42 3.381 6.298 -11.108 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.203 7.778 -12.616 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.151 8.349 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.096 9.374 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.181 8.757 -11.395 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.148 10.125 -13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.801 10.543 -12.087 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.338 11.739 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.714 11.278 -11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.990 13.511 -12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.768 12.510 -13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.435 12.958 -12.420 1.00 0.00 H new ATOM 649 N ILE A 43 3.738 6.585 -8.694 1.00 0.00 N ATOM 650 CA ILE A 43 4.002 6.747 -7.271 1.00 0.00 C ATOM 651 C ILE A 43 4.563 8.140 -7.008 1.00 0.00 C ATOM 652 O ILE A 43 5.517 8.567 -7.663 1.00 0.00 O ATOM 653 CB ILE A 43 4.938 5.628 -6.791 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.214 4.285 -6.952 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.318 5.824 -5.322 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.075 3.089 -6.551 1.00 0.00 C ATOM 0 H ILE A 43 4.487 6.120 -9.207 1.00 0.00 H new ATOM 0 HA ILE A 43 3.078 6.661 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 43 5.851 5.648 -7.386 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.308 4.292 -6.346 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.902 4.169 -7.990 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.981 5.018 -5.007 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.827 6.780 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.417 5.813 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.506 2.169 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.969 3.059 -7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.365 3.184 -5.505 1.00 0.00 H new ATOM 668 N VAL A 44 3.965 8.845 -6.044 1.00 0.00 N ATOM 669 CA VAL A 44 4.386 10.189 -5.654 1.00 0.00 C ATOM 670 C VAL A 44 5.008 10.178 -4.258 1.00 0.00 C ATOM 671 O VAL A 44 5.511 11.200 -3.793 1.00 0.00 O ATOM 672 CB VAL A 44 3.206 11.164 -5.729 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.665 11.232 -7.154 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.074 10.752 -4.783 1.00 0.00 C ATOM 0 H VAL A 44 3.170 8.495 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 44 5.149 10.530 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 44 3.574 12.144 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.827 11.928 -7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.452 11.574 -7.826 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.329 10.242 -7.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.255 11.466 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.717 9.758 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.444 10.738 -3.758 1.00 0.00 H new ATOM 684 N GLY A 45 4.976 9.023 -3.594 1.00 0.00 N ATOM 685 CA GLY A 45 5.571 8.832 -2.283 1.00 0.00 C ATOM 686 C GLY A 45 5.628 7.345 -1.957 1.00 0.00 C ATOM 687 O GLY A 45 4.727 6.593 -2.321 1.00 0.00 O ATOM 0 H GLY A 45 4.528 8.184 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.574 9.257 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.987 9.358 -1.528 1.00 0.00 H new ATOM 691 N CYS A 46 6.687 6.917 -1.271 1.00 0.00 N ATOM 692 CA CYS A 46 6.872 5.519 -0.921 1.00 0.00 C ATOM 693 C CYS A 46 7.631 5.405 0.396 1.00 0.00 C ATOM 694 O CYS A 46 8.490 6.233 0.699 1.00 0.00 O ATOM 695 CB CYS A 46 7.624 4.810 -2.050 1.00 0.00 C ATOM 696 SG CYS A 46 9.301 5.480 -2.195 1.00 0.00 S ATOM 0 H CYS A 46 7.435 7.530 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 46 5.901 5.041 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.667 3.739 -1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.089 4.939 -2.991 1.00 0.00 H new ATOM 0 HG CYS A 46 9.597 6.145 -1.118 1.00 0.00 H new ATOM 702 N SER A 47 7.317 4.378 1.185 1.00 0.00 N ATOM 703 CA SER A 47 8.012 4.132 2.437 1.00 0.00 C ATOM 704 C SER A 47 7.881 2.667 2.837 1.00 0.00 C ATOM 705 O SER A 47 6.872 2.028 2.545 1.00 0.00 O ATOM 706 CB SER A 47 7.436 5.031 3.529 1.00 0.00 C ATOM 707 OG SER A 47 8.191 4.878 4.711 1.00 0.00 O ATOM 0 H SER A 47 6.582 3.703 0.973 1.00 0.00 H new ATOM 0 HA SER A 47 9.070 4.360 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.454 6.072 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.393 4.773 3.715 1.00 0.00 H new ATOM 0 HG SER A 47 7.655 4.408 5.383 1.00 0.00 H new ATOM 713 N VAL A 48 8.902 2.137 3.507 1.00 0.00 N ATOM 714 CA VAL A 48 8.890 0.780 4.036 1.00 0.00 C ATOM 715 C VAL A 48 9.209 0.816 5.522 1.00 0.00 C ATOM 716 O VAL A 48 9.971 1.662 5.992 1.00 0.00 O ATOM 717 CB VAL A 48 9.866 -0.110 3.261 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.953 -1.511 3.865 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.392 -0.244 1.817 1.00 0.00 C ATOM 0 H VAL A 48 9.767 2.643 3.698 1.00 0.00 H new ATOM 0 HA VAL A 48 7.898 0.346 3.911 1.00 0.00 H new ATOM 0 HB VAL A 48 10.849 0.357 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.655 -2.113 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.297 -1.442 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.969 -1.979 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.086 -0.877 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.399 -0.693 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.353 0.742 1.354 1.00 0.00 H new ATOM 729 N HIS A 49 8.608 -0.119 6.258 1.00 0.00 N ATOM 730 CA HIS A 49 8.722 -0.235 7.700 1.00 0.00 C ATOM 731 C HIS A 49 8.980 -1.698 8.034 1.00 0.00 C ATOM 732 O HIS A 49 9.293 -2.480 7.142 1.00 0.00 O ATOM 733 CB HIS A 49 7.421 0.274 8.323 1.00 0.00 C ATOM 734 CG HIS A 49 7.061 1.669 7.882 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.318 2.839 8.602 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.437 1.995 6.711 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.839 3.838 7.844 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.304 3.363 6.706 1.00 0.00 N ATOM 0 H HIS A 49 8.011 -0.837 5.847 1.00 0.00 H new ATOM 0 HA HIS A 49 9.545 0.359 8.098 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.609 -0.405 8.060 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.513 0.255 9.409 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.112 1.312 5.940 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.878 4.883 8.113 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.874 3.920 5.968 1.00 0.00 H new ATOM 746 N LYS A 50 8.854 -2.079 9.304 1.00 0.00 N ATOM 747 CA LYS A 50 9.068 -3.462 9.683 1.00 0.00 C ATOM 748 C LYS A 50 7.755 -4.234 9.607 1.00 0.00 C ATOM 749 O LYS A 50 6.808 -3.925 10.327 1.00 0.00 O ATOM 750 CB LYS A 50 9.700 -3.522 11.072 1.00 0.00 C ATOM 751 CG LYS A 50 10.269 -4.920 11.281 1.00 0.00 C ATOM 752 CD LYS A 50 10.920 -5.031 12.658 1.00 0.00 C ATOM 753 CE LYS A 50 11.452 -6.445 12.877 1.00 0.00 C ATOM 754 NZ LYS A 50 12.576 -6.747 11.969 1.00 0.00 N ATOM 0 H LYS A 50 8.608 -1.455 10.073 1.00 0.00 H new ATOM 0 HA LYS A 50 9.760 -3.937 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.488 -2.774 11.163 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.957 -3.297 11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.475 -5.660 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.003 -5.140 10.506 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.734 -4.311 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.194 -4.784 13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.778 -6.556 13.911 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.650 -7.165 12.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.043 -7.625 12.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.217 -6.865 11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.261 -5.964 11.992 1.00 0.00 H new ATOM 768 N GLY A 51 7.703 -5.241 8.731 1.00 0.00 N ATOM 769 CA GLY A 51 6.528 -6.078 8.548 1.00 0.00 C ATOM 770 C GLY A 51 5.459 -5.449 7.652 1.00 0.00 C ATOM 771 O GLY A 51 4.473 -6.109 7.330 1.00 0.00 O ATOM 0 H GLY A 51 8.485 -5.495 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.835 -7.031 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.091 -6.294 9.523 1.00 0.00 H new ATOM 775 N PHE A 52 5.630 -4.186 7.242 1.00 0.00 N ATOM 776 CA PHE A 52 4.685 -3.522 6.356 1.00 0.00 C ATOM 777 C PHE A 52 5.351 -2.387 5.577 1.00 0.00 C ATOM 778 O PHE A 52 6.493 -2.019 5.850 1.00 0.00 O ATOM 779 CB PHE A 52 3.497 -2.981 7.158 1.00 0.00 C ATOM 780 CG PHE A 52 3.858 -1.921 8.173 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.290 -2.291 9.455 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.754 -0.564 7.831 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.622 -1.305 10.394 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.093 0.421 8.769 1.00 0.00 C ATOM 785 CZ PHE A 52 4.526 0.052 10.051 1.00 0.00 C ATOM 0 H PHE A 52 6.423 -3.606 7.516 1.00 0.00 H new ATOM 0 HA PHE A 52 4.328 -4.260 5.637 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.764 -2.568 6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.015 -3.811 7.674 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.367 -3.336 9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.413 -0.279 6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.952 -1.590 11.382 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.021 1.466 8.504 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.785 0.812 10.773 1.00 0.00 H new ATOM 795 N ALA A 53 4.628 -1.832 4.599 1.00 0.00 N ATOM 796 CA ALA A 53 5.084 -0.708 3.795 1.00 0.00 C ATOM 797 C ALA A 53 3.900 0.153 3.362 1.00 0.00 C ATOM 798 O ALA A 53 2.746 -0.199 3.603 1.00 0.00 O ATOM 799 CB ALA A 53 5.842 -1.243 2.578 1.00 0.00 C ATOM 0 H ALA A 53 3.696 -2.160 4.345 1.00 0.00 H new ATOM 0 HA ALA A 53 5.751 -0.081 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.188 -0.408 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.699 -1.828 2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.180 -1.874 1.986 1.00 0.00 H new ATOM 805 N PHE A 54 4.190 1.286 2.719 1.00 0.00 N ATOM 806 CA PHE A 54 3.183 2.216 2.235 1.00 0.00 C ATOM 807 C PHE A 54 3.576 2.786 0.876 1.00 0.00 C ATOM 808 O PHE A 54 4.756 2.960 0.573 1.00 0.00 O ATOM 809 CB PHE A 54 2.992 3.349 3.244 1.00 0.00 C ATOM 810 CG PHE A 54 1.901 3.081 4.251 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.563 3.188 3.850 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.216 2.728 5.571 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.466 2.940 4.766 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.187 2.475 6.486 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.152 2.582 6.083 1.00 0.00 C ATOM 0 H PHE A 54 5.146 1.582 2.520 1.00 0.00 H new ATOM 0 HA PHE A 54 2.244 1.676 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.930 3.516 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.761 4.269 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.325 3.462 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.248 2.652 5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.498 3.024 4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.424 2.197 7.502 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.944 2.388 6.791 1.00 0.00 H new ATOM 825 N VAL A 55 2.564 3.080 0.056 1.00 0.00 N ATOM 826 CA VAL A 55 2.727 3.665 -1.265 1.00 0.00 C ATOM 827 C VAL A 55 1.684 4.756 -1.449 1.00 0.00 C ATOM 828 O VAL A 55 0.594 4.673 -0.888 1.00 0.00 O ATOM 829 CB VAL A 55 2.585 2.587 -2.346 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.678 3.179 -3.750 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.705 1.563 -2.200 1.00 0.00 C ATOM 0 H VAL A 55 1.589 2.912 0.303 1.00 0.00 H new ATOM 0 HA VAL A 55 3.723 4.099 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 55 1.606 2.125 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.573 2.384 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.883 3.911 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.645 3.666 -3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.601 0.798 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.669 2.060 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.647 1.098 -1.216 1.00 0.00 H new ATOM 841 N GLN A 56 2.019 5.778 -2.234 1.00 0.00 N ATOM 842 CA GLN A 56 1.141 6.903 -2.483 1.00 0.00 C ATOM 843 C GLN A 56 1.058 7.151 -3.989 1.00 0.00 C ATOM 844 O GLN A 56 2.085 7.219 -4.658 1.00 0.00 O ATOM 845 CB GLN A 56 1.717 8.114 -1.744 1.00 0.00 C ATOM 846 CG GLN A 56 0.765 9.310 -1.766 1.00 0.00 C ATOM 847 CD GLN A 56 -0.361 9.146 -0.756 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.118 8.903 0.422 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.600 9.276 -1.206 1.00 0.00 N ATOM 0 H GLN A 56 2.916 5.842 -2.716 1.00 0.00 H new ATOM 0 HA GLN A 56 0.130 6.711 -2.123 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.929 7.840 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.665 8.398 -2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.320 10.222 -1.548 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.345 9.423 -2.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.766 9.478 -2.192 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.388 9.174 -0.567 1.00 0.00 H new ATOM 858 N TYR A 57 -0.159 7.285 -4.513 1.00 0.00 N ATOM 859 CA TYR A 57 -0.392 7.517 -5.932 1.00 0.00 C ATOM 860 C TYR A 57 -0.960 8.912 -6.165 1.00 0.00 C ATOM 861 O TYR A 57 -1.203 9.662 -5.220 1.00 0.00 O ATOM 862 CB TYR A 57 -1.357 6.465 -6.480 1.00 0.00 C ATOM 863 CG TYR A 57 -0.818 5.056 -6.447 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.372 4.758 -7.123 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.503 4.047 -5.750 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.896 3.459 -7.092 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.978 2.750 -5.710 1.00 0.00 C ATOM 868 CZ TYR A 57 0.229 2.454 -6.372 1.00 0.00 C ATOM 869 OH TYR A 57 0.744 1.198 -6.316 1.00 0.00 O ATOM 0 H TYR A 57 -1.014 7.235 -3.959 1.00 0.00 H new ATOM 0 HA TYR A 57 0.561 7.440 -6.455 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.282 6.502 -5.905 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.611 6.721 -7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.888 5.533 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.432 4.271 -5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.810 3.231 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.500 1.974 -5.170 1.00 0.00 H new ATOM 0 HH TYR A 57 1.349 1.058 -7.075 1.00 0.00 H new ATOM 879 N VAL A 58 -1.172 9.258 -7.436 1.00 0.00 N ATOM 880 CA VAL A 58 -1.752 10.537 -7.807 1.00 0.00 C ATOM 881 C VAL A 58 -3.239 10.568 -7.469 1.00 0.00 C ATOM 882 O VAL A 58 -3.766 11.630 -7.137 1.00 0.00 O ATOM 883 CB VAL A 58 -1.532 10.774 -9.307 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.330 11.986 -9.790 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.050 11.017 -9.583 1.00 0.00 C ATOM 0 H VAL A 58 -0.946 8.658 -8.229 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.265 11.332 -7.243 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.872 9.887 -9.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.158 12.134 -10.856 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.392 11.816 -9.614 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.010 12.874 -9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.099 11.184 -10.650 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.285 11.893 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.526 10.147 -9.269 1.00 0.00 H new ATOM 895 N ASN A 59 -3.924 9.421 -7.544 1.00 0.00 N ATOM 896 CA ASN A 59 -5.339 9.377 -7.214 1.00 0.00 C ATOM 897 C ASN A 59 -5.791 7.998 -6.742 1.00 0.00 C ATOM 898 O ASN A 59 -5.068 7.014 -6.872 1.00 0.00 O ATOM 899 CB ASN A 59 -6.167 9.870 -8.403 1.00 0.00 C ATOM 900 CG ASN A 59 -6.595 8.763 -9.347 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.786 8.527 -9.513 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.642 8.080 -9.970 1.00 0.00 N ATOM 0 H ASN A 59 -3.522 8.527 -7.827 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.504 10.047 -6.370 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.055 10.381 -8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.586 10.606 -8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.891 7.329 -10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.661 8.307 -9.805 1.00 0.00 H new ATOM 909 N GLU A 60 -7.005 7.943 -6.191 1.00 0.00 N ATOM 910 CA GLU A 60 -7.596 6.731 -5.647 1.00 0.00 C ATOM 911 C GLU A 60 -7.695 5.619 -6.690 1.00 0.00 C ATOM 912 O GLU A 60 -7.617 4.447 -6.331 1.00 0.00 O ATOM 913 CB GLU A 60 -8.973 7.105 -5.104 1.00 0.00 C ATOM 914 CG GLU A 60 -9.739 5.902 -4.551 1.00 0.00 C ATOM 915 CD GLU A 60 -11.106 6.313 -4.008 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.470 7.500 -4.154 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.781 5.425 -3.443 1.00 0.00 O ATOM 0 H GLU A 60 -7.612 8.759 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.962 6.334 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.858 7.850 -4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.558 7.569 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.867 5.158 -5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.157 5.432 -3.758 1.00 0.00 H new ATOM 924 N ARG A 61 -7.864 5.953 -7.975 1.00 0.00 N ATOM 925 CA ARG A 61 -7.964 4.932 -9.013 1.00 0.00 C ATOM 926 C ARG A 61 -6.689 4.101 -9.059 1.00 0.00 C ATOM 927 O ARG A 61 -6.739 2.887 -9.253 1.00 0.00 O ATOM 928 CB ARG A 61 -8.233 5.613 -10.359 1.00 0.00 C ATOM 929 CG ARG A 61 -8.086 4.666 -11.547 1.00 0.00 C ATOM 930 CD ARG A 61 -8.955 3.419 -11.400 1.00 0.00 C ATOM 931 NE ARG A 61 -10.385 3.752 -11.351 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.352 2.859 -11.138 1.00 0.00 C ATOM 933 NH1 ARG A 61 -11.062 1.571 -10.954 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.624 3.247 -11.106 1.00 0.00 N ATOM 0 H ARG A 61 -7.933 6.913 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.789 4.256 -8.790 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.241 6.028 -10.355 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.545 6.449 -10.481 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.357 5.190 -12.463 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.042 4.370 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.767 2.745 -12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.675 2.886 -10.491 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.655 4.726 -11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.091 1.259 -10.975 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.811 0.898 -10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.861 4.229 -11.245 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.362 2.562 -10.943 1.00 0.00 H new ATOM 948 N ASN A 62 -5.539 4.748 -8.881 1.00 0.00 N ATOM 949 CA ASN A 62 -4.273 4.037 -8.905 1.00 0.00 C ATOM 950 C ASN A 62 -4.123 3.144 -7.673 1.00 0.00 C ATOM 951 O ASN A 62 -3.406 2.146 -7.715 1.00 0.00 O ATOM 952 CB ASN A 62 -3.145 5.062 -8.981 1.00 0.00 C ATOM 953 CG ASN A 62 -3.039 5.666 -10.371 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.120 6.877 -10.534 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.860 4.817 -11.377 1.00 0.00 N ATOM 0 H ASN A 62 -5.462 5.752 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.234 3.385 -9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.320 5.853 -8.251 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.201 4.587 -8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.784 5.167 -12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.798 3.815 -11.194 1.00 0.00 H new ATOM 962 N ALA A 63 -4.801 3.496 -6.577 1.00 0.00 N ATOM 963 CA ALA A 63 -4.760 2.695 -5.364 1.00 0.00 C ATOM 964 C ALA A 63 -5.591 1.430 -5.535 1.00 0.00 C ATOM 965 O ALA A 63 -5.213 0.372 -5.043 1.00 0.00 O ATOM 966 CB ALA A 63 -5.261 3.527 -4.184 1.00 0.00 C ATOM 0 H ALA A 63 -5.383 4.331 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.732 2.393 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.230 2.926 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.625 4.404 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.286 3.846 -4.373 1.00 0.00 H new ATOM 972 N ARG A 64 -6.722 1.530 -6.237 1.00 0.00 N ATOM 973 CA ARG A 64 -7.583 0.377 -6.476 1.00 0.00 C ATOM 974 C ARG A 64 -6.897 -0.608 -7.421 1.00 0.00 C ATOM 975 O ARG A 64 -7.174 -1.803 -7.375 1.00 0.00 O ATOM 976 CB ARG A 64 -8.918 0.819 -7.080 1.00 0.00 C ATOM 977 CG ARG A 64 -9.685 1.809 -6.201 1.00 0.00 C ATOM 978 CD ARG A 64 -10.017 1.237 -4.825 1.00 0.00 C ATOM 979 NE ARG A 64 -10.739 2.232 -4.025 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.249 2.008 -2.812 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.137 0.820 -2.226 1.00 0.00 N ATOM 982 NH2 ARG A 64 -11.879 2.983 -2.171 1.00 0.00 N ATOM 0 H ARG A 64 -7.060 2.400 -6.649 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.771 -0.112 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.735 1.275 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.539 -0.060 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.093 2.716 -6.080 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.609 2.096 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.623 0.337 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.100 0.944 -4.314 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.860 3.163 -4.425 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.654 0.059 -2.704 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.534 0.669 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.973 3.901 -2.605 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.270 2.815 -1.244 1.00 0.00 H new ATOM 996 N ALA A 65 -6.002 -0.111 -8.279 1.00 0.00 N ATOM 997 CA ALA A 65 -5.307 -0.955 -9.234 1.00 0.00 C ATOM 998 C ALA A 65 -4.171 -1.726 -8.567 1.00 0.00 C ATOM 999 O ALA A 65 -3.886 -2.857 -8.951 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.786 -0.076 -10.371 1.00 0.00 C ATOM 0 H ALA A 65 -5.746 0.875 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.998 -1.697 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.261 -0.695 -11.098 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.624 0.424 -10.858 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.102 0.671 -9.969 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.519 -1.129 -7.565 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.438 -1.793 -6.862 1.00 0.00 C ATOM 1008 C ALA A 66 -2.965 -2.714 -5.763 1.00 0.00 C ATOM 1009 O ALA A 66 -2.389 -3.771 -5.515 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.522 -0.721 -6.291 1.00 0.00 C ATOM 0 H ALA A 66 -3.727 -0.189 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.884 -2.428 -7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.698 -1.194 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.125 -0.111 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.085 -0.089 -5.605 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.060 -2.328 -5.102 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.697 -3.169 -4.095 1.00 0.00 C ATOM 1018 C VAL A 67 -5.255 -4.430 -4.750 1.00 0.00 C ATOM 1019 O VAL A 67 -5.308 -5.479 -4.113 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.809 -2.375 -3.403 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.689 -3.270 -2.527 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.202 -1.300 -2.500 1.00 0.00 C ATOM 0 H VAL A 67 -4.523 -1.432 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.964 -3.470 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.417 -1.931 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.465 -2.667 -2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.153 -4.040 -3.144 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.077 -3.741 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.001 -0.741 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.575 -1.772 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.597 -0.620 -3.100 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.672 -4.342 -6.016 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.169 -5.504 -6.742 1.00 0.00 C ATOM 1034 C ALA A 68 -5.081 -6.170 -7.587 1.00 0.00 C ATOM 1035 O ALA A 68 -5.296 -7.264 -8.107 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.354 -5.077 -7.608 1.00 0.00 C ATOM 0 H ALA A 68 -5.674 -3.476 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.492 -6.252 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.734 -5.939 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.143 -4.675 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.032 -4.312 -8.314 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.919 -5.524 -7.731 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.836 -6.047 -8.554 1.00 0.00 C ATOM 1044 C GLY A 69 -1.708 -6.702 -7.758 1.00 0.00 C ATOM 1045 O GLY A 69 -0.874 -7.385 -8.347 1.00 0.00 O ATOM 0 H GLY A 69 -3.709 -4.632 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.245 -6.777 -9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.421 -5.234 -9.150 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.667 -6.512 -6.435 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.568 -7.016 -5.613 1.00 0.00 C ATOM 1051 C GLU A 70 -1.065 -7.720 -4.352 1.00 0.00 C ATOM 1052 O GLU A 70 -0.319 -8.493 -3.755 1.00 0.00 O ATOM 1053 CB GLU A 70 0.336 -5.844 -5.228 1.00 0.00 C ATOM 1054 CG GLU A 70 1.210 -5.398 -6.398 1.00 0.00 C ATOM 1055 CD GLU A 70 2.366 -6.371 -6.615 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.298 -6.350 -5.782 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.326 -7.135 -7.606 1.00 0.00 O ATOM 0 H GLU A 70 -2.385 -6.011 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.017 -7.753 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.276 -5.007 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.970 -6.133 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.607 -5.335 -7.304 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.601 -4.399 -6.205 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.307 -7.485 -3.922 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.825 -8.168 -2.742 1.00 0.00 C ATOM 1066 C ASP A 71 -2.844 -9.674 -2.990 1.00 0.00 C ATOM 1067 O ASP A 71 -3.540 -10.153 -3.885 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.228 -7.662 -2.421 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.817 -8.400 -1.222 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.110 -8.473 -0.192 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.964 -8.879 -1.345 1.00 0.00 O ATOM 0 H ASP A 71 -2.960 -6.839 -4.366 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.179 -7.959 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.194 -6.593 -2.213 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.874 -7.797 -3.288 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.077 -10.423 -2.192 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.031 -11.873 -2.312 1.00 0.00 C ATOM 1078 C GLY A 72 -0.989 -12.302 -3.334 1.00 0.00 C ATOM 1079 O GLY A 72 -0.936 -13.473 -3.707 1.00 0.00 O ATOM 0 H GLY A 72 -1.481 -10.043 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.799 -12.315 -1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.011 -12.248 -2.607 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.157 -11.360 -3.788 1.00 0.00 N ATOM 1084 CA ARG A 73 0.982 -11.678 -4.624 1.00 0.00 C ATOM 1085 C ARG A 73 2.042 -12.260 -3.699 1.00 0.00 C ATOM 1086 O ARG A 73 1.899 -12.182 -2.481 1.00 0.00 O ATOM 1087 CB ARG A 73 1.456 -10.437 -5.382 1.00 0.00 C ATOM 1088 CG ARG A 73 2.254 -9.496 -4.478 1.00 0.00 C ATOM 1089 CD ARG A 73 3.747 -9.604 -4.782 1.00 0.00 C ATOM 1090 NE ARG A 73 4.034 -9.067 -6.116 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.912 -9.551 -6.995 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.648 -10.627 -6.732 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.058 -8.941 -8.167 1.00 0.00 N ATOM 0 H ARG A 73 -0.261 -10.366 -3.583 1.00 0.00 H new ATOM 0 HA ARG A 73 0.736 -12.406 -5.397 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.073 -10.740 -6.228 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.595 -9.908 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.920 -8.469 -4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.071 -9.743 -3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.318 -9.058 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.062 -10.646 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 73 3.509 -8.240 -6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.549 -11.106 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.311 -10.973 -7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.502 -8.114 -8.384 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.726 -9.300 -8.849 1.00 0.00 H new ATOM 1107 N MET A 74 3.105 -12.836 -4.248 1.00 0.00 N ATOM 1108 CA MET A 74 4.117 -13.468 -3.426 1.00 0.00 C ATOM 1109 C MET A 74 5.418 -12.699 -3.557 1.00 0.00 C ATOM 1110 O MET A 74 5.943 -12.546 -4.659 1.00 0.00 O ATOM 1111 CB MET A 74 4.244 -14.934 -3.817 1.00 0.00 C ATOM 1112 CG MET A 74 5.135 -15.673 -2.817 1.00 0.00 C ATOM 1113 SD MET A 74 4.890 -17.466 -2.817 1.00 0.00 S ATOM 1114 CE MET A 74 3.226 -17.518 -2.089 1.00 0.00 C ATOM 0 H MET A 74 3.284 -12.876 -5.251 1.00 0.00 H new ATOM 0 HA MET A 74 3.836 -13.445 -2.373 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.257 -15.397 -3.847 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.665 -15.015 -4.819 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.179 -15.457 -3.044 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.941 -15.288 -1.816 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.955 -18.552 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.215 -16.941 -1.164 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.509 -17.092 -2.790 1.00 0.00 H new ATOM 1124 N ILE A 75 5.932 -12.217 -2.427 1.00 0.00 N ATOM 1125 CA ILE A 75 7.176 -11.472 -2.399 1.00 0.00 C ATOM 1126 C ILE A 75 8.096 -12.060 -1.339 1.00 0.00 C ATOM 1127 O ILE A 75 7.660 -12.363 -0.228 1.00 0.00 O ATOM 1128 CB ILE A 75 6.860 -9.978 -2.202 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.116 -9.276 -3.539 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.682 -9.360 -1.070 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.778 -7.784 -3.510 1.00 0.00 C ATOM 0 H ILE A 75 5.496 -12.334 -1.513 1.00 0.00 H new ATOM 0 HA ILE A 75 7.714 -11.554 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 75 5.819 -9.855 -1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.164 -9.399 -3.812 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.525 -9.761 -4.316 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.426 -8.306 -0.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.463 -9.879 -0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.744 -9.455 -1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.982 -7.346 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.723 -7.655 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.388 -7.287 -2.755 1.00 0.00 H new ATOM 1143 N ALA A 76 9.372 -12.222 -1.689 1.00 0.00 N ATOM 1144 CA ALA A 76 10.356 -12.878 -0.842 1.00 0.00 C ATOM 1145 C ALA A 76 9.911 -14.279 -0.418 1.00 0.00 C ATOM 1146 O ALA A 76 10.444 -14.837 0.540 1.00 0.00 O ATOM 1147 CB ALA A 76 10.689 -11.992 0.353 1.00 0.00 C ATOM 0 H ALA A 76 9.751 -11.897 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 76 11.267 -13.020 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.426 -12.491 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.095 -11.044 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.784 -11.807 0.932 1.00 0.00 H new ATOM 1153 N GLY A 77 8.933 -14.854 -1.129 1.00 0.00 N ATOM 1154 CA GLY A 77 8.403 -16.174 -0.832 1.00 0.00 C ATOM 1155 C GLY A 77 7.238 -16.116 0.157 1.00 0.00 C ATOM 1156 O GLY A 77 6.737 -17.160 0.571 1.00 0.00 O ATOM 0 H GLY A 77 8.490 -14.406 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.071 -16.647 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.196 -16.799 -0.421 1.00 0.00 H new ATOM 1160 N GLN A 78 6.809 -14.908 0.539 1.00 0.00 N ATOM 1161 CA GLN A 78 5.726 -14.712 1.483 1.00 0.00 C ATOM 1162 C GLN A 78 4.636 -13.825 0.869 1.00 0.00 C ATOM 1163 O GLN A 78 4.918 -12.770 0.308 1.00 0.00 O ATOM 1164 CB GLN A 78 6.340 -14.141 2.762 1.00 0.00 C ATOM 1165 CG GLN A 78 5.306 -13.692 3.792 1.00 0.00 C ATOM 1166 CD GLN A 78 5.466 -12.201 4.051 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.317 -11.399 3.002 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.723 -11.779 5.173 1.00 0.00 N flip ATOM 0 H GLN A 78 7.213 -14.038 0.193 1.00 0.00 H new ATOM 0 HA GLN A 78 5.224 -15.648 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.985 -14.895 3.213 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.974 -13.293 2.503 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.300 -13.904 3.430 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.435 -14.249 4.720 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.829 -12.430 5.951 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.831 -10.777 5.329 1.00 0.00 H new ATOM 1177 N VAL A 79 3.382 -14.271 0.981 1.00 0.00 N ATOM 1178 CA VAL A 79 2.211 -13.585 0.440 1.00 0.00 C ATOM 1179 C VAL A 79 2.037 -12.231 1.113 1.00 0.00 C ATOM 1180 O VAL A 79 2.251 -12.108 2.316 1.00 0.00 O ATOM 1181 CB VAL A 79 0.969 -14.453 0.676 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.273 -13.803 0.076 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.141 -15.826 0.029 1.00 0.00 C ATOM 0 H VAL A 79 3.150 -15.140 1.462 1.00 0.00 H new ATOM 0 HA VAL A 79 2.347 -13.423 -0.629 1.00 0.00 H new ATOM 0 HB VAL A 79 0.849 -14.557 1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.140 -14.439 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.434 -12.829 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.134 -13.676 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.249 -16.427 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.289 -15.706 -1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.008 -16.326 0.461 1.00 0.00 H new ATOM 1193 N LEU A 80 1.647 -11.215 0.336 1.00 0.00 N ATOM 1194 CA LEU A 80 1.383 -9.886 0.875 1.00 0.00 C ATOM 1195 C LEU A 80 -0.101 -9.692 1.168 1.00 0.00 C ATOM 1196 O LEU A 80 -0.952 -10.356 0.579 1.00 0.00 O ATOM 1197 CB LEU A 80 1.872 -8.802 -0.085 1.00 0.00 C ATOM 1198 CG LEU A 80 3.344 -8.964 -0.465 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.780 -7.718 -1.228 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.226 -9.109 0.772 1.00 0.00 C ATOM 0 H LEU A 80 1.508 -11.293 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 80 1.932 -9.799 1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.264 -8.823 -0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.726 -7.824 0.374 1.00 0.00 H new ATOM 0 HG LEU A 80 3.451 -9.863 -1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.829 -7.812 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.172 -7.610 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.652 -6.840 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.266 -9.222 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.126 -8.221 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.917 -9.987 1.338 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.405 -8.770 2.084 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.769 -8.405 2.436 1.00 0.00 C ATOM 1214 C ASP A 81 -1.905 -6.897 2.259 1.00 0.00 C ATOM 1215 O ASP A 81 -1.498 -6.117 3.119 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.075 -8.867 3.859 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.293 -10.376 3.896 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -1.286 -11.106 4.049 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.467 -10.788 3.769 1.00 0.00 O ATOM 0 H ASP A 81 0.302 -8.252 2.606 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.498 -8.895 1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.252 -8.596 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.963 -8.356 4.230 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.482 -6.495 1.126 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.514 -5.107 0.683 1.00 0.00 C ATOM 1226 C ILE A 82 -3.947 -4.581 0.700 1.00 0.00 C ATOM 1227 O ILE A 82 -4.880 -5.300 0.343 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.864 -5.040 -0.699 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.377 -5.369 -0.524 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.018 -3.657 -1.335 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.256 -5.802 -1.834 1.00 0.00 C ATOM 0 H ILE A 82 -2.946 -7.137 0.483 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.951 -4.461 1.357 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.354 -5.752 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.147 -4.495 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.263 -6.162 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.542 -3.653 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.077 -3.423 -1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.545 -2.909 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.310 -6.027 -1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.252 -6.691 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.165 -4.999 -2.565 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.131 -3.326 1.119 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.457 -2.745 1.280 1.00 0.00 C ATOM 1245 C ASN A 83 -5.402 -1.223 1.121 1.00 0.00 C ATOM 1246 O ASN A 83 -4.357 -0.610 1.325 1.00 0.00 O ATOM 1247 CB ASN A 83 -5.981 -3.135 2.664 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.467 -2.849 2.806 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.298 -3.666 2.419 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.816 -1.692 3.357 1.00 0.00 N ATOM 0 H ASN A 83 -3.367 -2.692 1.354 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.130 -3.124 0.511 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.797 -4.195 2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.431 -2.587 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.802 -1.458 3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.098 -1.037 3.667 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.535 -0.606 0.763 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.670 0.835 0.695 1.00 0.00 C ATOM 1259 C LEU A 84 -6.404 1.417 2.086 1.00 0.00 C ATOM 1260 O LEU A 84 -6.996 0.971 3.065 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.096 1.118 0.204 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.337 2.491 -0.430 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.157 3.645 0.554 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.427 2.702 -1.635 1.00 0.00 C ATOM 0 H LEU A 84 -7.387 -1.108 0.512 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.958 1.297 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.365 0.353 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.777 1.007 1.048 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.379 2.494 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.341 4.590 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.862 3.534 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.139 3.636 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.618 3.684 -2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.385 2.640 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.626 1.932 -2.381 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.516 2.412 2.182 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.068 2.952 3.463 1.00 0.00 C ATOM 1278 C ALA A 85 -6.173 3.594 4.308 1.00 0.00 C ATOM 1279 O ALA A 85 -5.905 4.009 5.434 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.975 3.986 3.210 1.00 0.00 C ATOM 0 H ALA A 85 -5.090 2.863 1.373 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.703 2.101 4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.634 4.395 4.161 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.138 3.512 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.371 4.790 2.590 1.00 0.00 H new ATOM 1463 N LYS A 98 -7.058 -15.524 13.285 1.00 0.00 N ATOM 1464 CA LYS A 98 -7.889 -14.391 13.679 1.00 0.00 C ATOM 1465 C LYS A 98 -8.627 -14.652 14.992 1.00 0.00 C ATOM 1466 O LYS A 98 -9.555 -13.922 15.333 1.00 0.00 O ATOM 1467 CB LYS A 98 -8.851 -14.026 12.540 1.00 0.00 C ATOM 1468 CG LYS A 98 -8.128 -13.745 11.218 1.00 0.00 C ATOM 1469 CD LYS A 98 -7.217 -12.518 11.324 1.00 0.00 C ATOM 1470 CE LYS A 98 -6.436 -12.317 10.024 1.00 0.00 C ATOM 1471 NZ LYS A 98 -7.330 -12.046 8.881 1.00 0.00 N ATOM 0 HA LYS A 98 -7.238 -13.536 13.864 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.560 -14.841 12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.429 -13.147 12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.536 -14.615 10.934 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.862 -13.587 10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.814 -11.632 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.524 -12.643 12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.739 -11.488 10.144 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.841 -13.206 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.766 -11.734 8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.848 -12.913 8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.007 -11.300 9.139 1.00 0.00 H new ATOM 1485 N ARG A 99 -8.215 -15.691 15.722 1.00 0.00 N ATOM 1486 CA ARG A 99 -8.791 -16.064 17.009 1.00 0.00 C ATOM 1487 C ARG A 99 -7.745 -15.915 18.107 1.00 0.00 C ATOM 1488 O ARG A 99 -6.557 -15.754 17.828 1.00 0.00 O ATOM 1489 CB ARG A 99 -9.311 -17.507 16.953 1.00 0.00 C ATOM 1490 CG ARG A 99 -10.828 -17.559 16.741 1.00 0.00 C ATOM 1491 CD ARG A 99 -11.263 -17.019 15.379 1.00 0.00 C ATOM 1492 NE ARG A 99 -10.704 -17.812 14.276 1.00 0.00 N ATOM 1493 CZ ARG A 99 -10.993 -17.603 12.989 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -11.824 -16.628 12.628 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -10.446 -18.371 12.052 1.00 0.00 N ATOM 0 H ARG A 99 -7.457 -16.306 15.426 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.628 -15.403 17.233 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.813 -18.041 16.144 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.056 -18.021 17.880 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.168 -18.590 16.842 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.318 -16.984 17.526 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.351 -17.025 15.316 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.943 -15.982 15.280 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.057 -18.566 14.507 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.248 -16.030 13.338 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.037 -16.478 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.806 -19.120 12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.667 -18.212 11.069 1.00 0.00 H new ATOM 1509 N SER A 100 -8.195 -15.972 19.363 1.00 0.00 N ATOM 1510 CA SER A 100 -7.317 -15.883 20.519 1.00 0.00 C ATOM 1511 C SER A 100 -6.485 -17.149 20.697 1.00 0.00 C ATOM 1512 O SER A 100 -5.580 -17.173 21.533 1.00 0.00 O ATOM 1513 CB SER A 100 -8.172 -15.653 21.762 1.00 0.00 C ATOM 1514 OG SER A 100 -8.789 -14.382 21.696 1.00 0.00 O ATOM 0 H SER A 100 -9.181 -16.081 19.601 1.00 0.00 H new ATOM 0 HA SER A 100 -6.625 -15.055 20.366 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.931 -16.431 21.840 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.553 -15.720 22.657 1.00 0.00 H new ATOM 0 HG SER A 100 -9.337 -14.243 22.496 1.00 0.00 H new ATOM 1520 N ALA A 101 -6.785 -18.198 19.919 1.00 0.00 N ATOM 1521 CA ALA A 101 -6.178 -19.517 20.052 1.00 0.00 C ATOM 1522 C ALA A 101 -6.264 -20.057 21.485 1.00 0.00 C ATOM 1523 O ALA A 101 -5.564 -21.006 21.830 1.00 0.00 O ATOM 1524 CB ALA A 101 -4.748 -19.490 19.511 1.00 0.00 C ATOM 0 H ALA A 101 -7.471 -18.146 19.166 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.750 -20.221 19.448 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.301 -20.479 19.614 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.762 -19.206 18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.160 -18.766 20.074 1.00 0.00 H new ATOM 1530 N ALA A 102 -7.121 -19.449 22.313 1.00 0.00 N ATOM 1531 CA ALA A 102 -7.292 -19.817 23.711 1.00 0.00 C ATOM 1532 C ALA A 102 -8.714 -19.519 24.190 1.00 0.00 C ATOM 1533 O ALA A 102 -8.974 -19.488 25.393 1.00 0.00 O ATOM 1534 CB ALA A 102 -6.264 -19.066 24.558 1.00 0.00 C ATOM 0 H ALA A 102 -7.721 -18.677 22.020 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.132 -20.890 23.818 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -6.388 -19.338 25.606 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.259 -19.332 24.230 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.412 -17.992 24.442 1.00 0.00 H new ATOM 1540 N GLU A 103 -9.644 -19.296 23.256 1.00 0.00 N ATOM 1541 CA GLU A 103 -11.014 -18.909 23.578 1.00 0.00 C ATOM 1542 C GLU A 103 -11.810 -20.039 24.236 1.00 0.00 C ATOM 1543 O GLU A 103 -12.968 -19.845 24.611 1.00 0.00 O ATOM 1544 CB GLU A 103 -11.717 -18.407 22.315 1.00 0.00 C ATOM 1545 CG GLU A 103 -11.769 -19.479 21.223 1.00 0.00 C ATOM 1546 CD GLU A 103 -12.621 -19.019 20.042 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -12.502 -17.831 19.665 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -13.389 -19.860 19.523 1.00 0.00 O ATOM 0 H GLU A 103 -9.464 -19.380 22.255 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.965 -18.105 24.312 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -12.731 -18.094 22.564 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.196 -17.528 21.935 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.759 -19.704 20.881 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.179 -20.402 21.634 1.00 0.00 H new ATOM 1555 N MET A 104 -11.198 -21.216 24.380 1.00 0.00 N ATOM 1556 CA MET A 104 -11.815 -22.369 25.025 1.00 0.00 C ATOM 1557 C MET A 104 -11.171 -22.654 26.383 1.00 0.00 C ATOM 1558 O MET A 104 -11.456 -23.683 26.992 1.00 0.00 O ATOM 1559 CB MET A 104 -11.726 -23.587 24.103 1.00 0.00 C ATOM 1560 CG MET A 104 -12.534 -23.358 22.825 1.00 0.00 C ATOM 1561 SD MET A 104 -12.455 -24.719 21.629 1.00 0.00 S ATOM 1562 CE MET A 104 -10.719 -24.580 21.127 1.00 0.00 C ATOM 0 H MET A 104 -10.250 -21.394 24.047 1.00 0.00 H new ATOM 0 HA MET A 104 -12.866 -22.146 25.208 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.684 -23.782 23.850 1.00 0.00 H new ATOM 0 HB3 MET A 104 -12.099 -24.470 24.622 1.00 0.00 H new ATOM 0 HG2 MET A 104 -13.576 -23.189 23.095 1.00 0.00 H new ATOM 0 HG3 MET A 104 -12.178 -22.447 22.344 1.00 0.00 H new ATOM 0 HE1 MET A 104 -10.557 -25.153 20.214 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.475 -23.533 20.946 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.079 -24.970 21.918 1.00 0.00 H new ATOM 1572 N TYR A 105 -10.304 -21.754 26.858 1.00 0.00 N ATOM 1573 CA TYR A 105 -9.590 -21.925 28.117 1.00 0.00 C ATOM 1574 C TYR A 105 -9.626 -20.653 28.969 1.00 0.00 C ATOM 1575 O TYR A 105 -9.030 -20.620 30.044 1.00 0.00 O ATOM 1576 CB TYR A 105 -8.147 -22.340 27.817 1.00 0.00 C ATOM 1577 CG TYR A 105 -8.043 -23.559 26.925 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -8.077 -24.845 27.480 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -7.914 -23.395 25.538 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -7.983 -25.974 26.649 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -7.824 -24.516 24.699 1.00 0.00 C ATOM 1582 CZ TYR A 105 -7.858 -25.812 25.254 1.00 0.00 C ATOM 1583 OH TYR A 105 -7.768 -26.904 24.446 1.00 0.00 O ATOM 0 H TYR A 105 -10.080 -20.884 26.374 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.084 -22.705 28.697 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -7.629 -21.507 27.342 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -7.632 -22.542 28.756 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.176 -24.969 28.548 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.884 -22.402 25.114 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.006 -26.965 27.078 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.729 -24.387 23.631 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.688 -26.615 23.513 1.00 0.00 H new ATOM 1593 N GLY A 106 -10.318 -19.611 28.492 1.00 0.00 N ATOM 1594 CA GLY A 106 -10.442 -18.345 29.201 1.00 0.00 C ATOM 1595 C GLY A 106 -9.156 -17.531 29.124 1.00 0.00 C ATOM 1596 O GLY A 106 -8.183 -17.970 28.514 1.00 0.00 O ATOM 1597 OXT GLY A 106 -9.064 -16.439 29.658 1.00 0.00 O ATOM 0 H GLY A 106 -10.808 -19.629 27.598 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.264 -17.769 28.777 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -10.691 -18.535 30.245 1.00 0.00 H new