USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 960 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 62 ASN : amide:sc= -1.47 K(o=-4,f=-9.6!) USER MOD Set 1.2: A 68 SER OG : rot 109:sc= 1.2 USER MOD Set 1.3: A 86 THR OG1 : rot 25:sc= -3.75! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.421 USER MOD Single : A 3 HIS : no HD1:sc= -0.596 X(o=-0.6,f=-0.26) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -174:sc= -8.27! (180deg=-8.68!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -16:sc= -1.46! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -28.4! C(o=-28!,f=-31!) USER MOD Single : A 38 THR OG1 : rot -100:sc= -6.96! USER MOD Single : A 40 SER OG : rot 14:sc= 0.16 USER MOD Single : A 42 MET CE :methyl 155:sc= -0.288 (180deg=-1.38!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 79 ASN :FLIP amide:sc= -9.21! C(o=-11!,f=-9.2!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 63:sc= -0.698 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -170:sc= -1.44 USER MOD Single : A 97 TYR OH : rot 49:sc= 0.155 USER MOD Single : A 98 SER OG : rot 98:sc= -0.476! USER MOD Single : A 99 ASN :FLIP amide:sc= -1.45 F(o=-6.6!,f=-1.4) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 105 LYS NZ :NH3+ 158:sc= -2.16! (180deg=-2.3!) USER MOD Single : A 110 SER OG : rot -150:sc= -0.0378 USER MOD Single : A 118 GLN :FLIP amide:sc= -1.03 F(o=-2.1!,f=-1) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 165:sc= 0.611 (180deg=-0.209) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.171 12.178 13.595 1.00 0.00 N ATOM 2 CA GLY A 1 13.702 12.394 13.469 1.00 0.00 C ATOM 3 C GLY A 1 13.288 13.586 14.333 1.00 0.00 C ATOM 4 O GLY A 1 13.325 14.720 13.900 1.00 0.00 O ATOM 0 H1 GLY A 1 15.454 11.368 13.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.676 13.030 13.276 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.410 11.986 14.589 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.438 12.577 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.164 11.499 13.782 1.00 0.00 H new ATOM 10 N SER A 2 12.896 13.339 15.553 1.00 0.00 N ATOM 11 CA SER A 2 12.484 14.464 16.439 1.00 0.00 C ATOM 12 C SER A 2 11.500 15.376 15.701 1.00 0.00 C ATOM 13 O SER A 2 10.797 14.950 14.806 1.00 0.00 O ATOM 14 CB SER A 2 13.780 15.209 16.751 1.00 0.00 C ATOM 15 OG SER A 2 13.525 16.213 17.723 1.00 0.00 O ATOM 0 H SER A 2 12.843 12.411 15.973 1.00 0.00 H new ATOM 0 HA SER A 2 11.983 14.123 17.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.533 14.513 17.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.181 15.660 15.843 1.00 0.00 H new ATOM 0 HG SER A 2 14.356 16.691 17.926 1.00 0.00 H new ATOM 21 N HIS A 3 11.442 16.625 16.068 1.00 0.00 N ATOM 22 CA HIS A 3 10.500 17.557 15.385 1.00 0.00 C ATOM 23 C HIS A 3 10.971 17.837 13.955 1.00 0.00 C ATOM 24 O HIS A 3 11.221 18.966 13.583 1.00 0.00 O ATOM 25 CB HIS A 3 10.531 18.836 16.223 1.00 0.00 C ATOM 26 CG HIS A 3 9.210 19.006 16.923 1.00 0.00 C ATOM 27 ND1 HIS A 3 8.936 20.098 17.732 1.00 0.00 N ATOM 28 CD2 HIS A 3 8.078 18.229 16.945 1.00 0.00 C ATOM 29 CE1 HIS A 3 7.684 19.949 18.203 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.116 18.826 17.753 1.00 0.00 N ATOM 0 H HIS A 3 12.005 17.041 16.810 1.00 0.00 H new ATOM 0 HA HIS A 3 9.494 17.144 15.309 1.00 0.00 H new ATOM 0 HB2 HIS A 3 11.339 18.786 16.953 1.00 0.00 H new ATOM 0 HB3 HIS A 3 10.731 19.697 15.585 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.954 17.296 16.415 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.198 20.651 18.864 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.178 18.481 17.958 1.00 0.00 H new ATOM 38 N MET A 4 11.090 16.814 13.153 1.00 0.00 N ATOM 39 CA MET A 4 11.541 17.014 11.747 1.00 0.00 C ATOM 40 C MET A 4 11.142 15.807 10.895 1.00 0.00 C ATOM 41 O MET A 4 11.979 15.112 10.353 1.00 0.00 O ATOM 42 CB MET A 4 13.062 17.134 11.833 1.00 0.00 C ATOM 43 CG MET A 4 13.588 17.869 10.598 1.00 0.00 C ATOM 44 SD MET A 4 14.229 19.491 11.086 1.00 0.00 S ATOM 45 CE MET A 4 13.665 20.409 9.631 1.00 0.00 C ATOM 0 H MET A 4 10.894 15.847 13.412 1.00 0.00 H new ATOM 0 HA MET A 4 11.091 17.893 11.286 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.344 17.673 12.737 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.512 16.144 11.899 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.375 17.284 10.121 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.790 17.987 9.865 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.959 21.454 9.724 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.116 19.983 8.735 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.579 20.343 9.557 1.00 0.00 H new ATOM 55 N THR A 5 9.868 15.551 10.776 1.00 0.00 N ATOM 56 CA THR A 5 9.414 14.387 9.962 1.00 0.00 C ATOM 57 C THR A 5 8.357 14.830 8.948 1.00 0.00 C ATOM 58 O THR A 5 7.764 15.883 9.073 1.00 0.00 O ATOM 59 CB THR A 5 8.810 13.408 10.970 1.00 0.00 C ATOM 60 OG1 THR A 5 8.474 14.105 12.161 1.00 0.00 O ATOM 61 CG2 THR A 5 9.822 12.306 11.285 1.00 0.00 C ATOM 0 H THR A 5 9.122 16.097 11.207 1.00 0.00 H new ATOM 0 HA THR A 5 10.230 13.938 9.396 1.00 0.00 H new ATOM 0 HB THR A 5 7.911 12.959 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.085 13.479 12.807 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.390 11.610 12.003 1.00 0.00 H new ATOM 0 HG22 THR A 5 10.075 11.772 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.724 12.750 11.707 1.00 0.00 H new ATOM 69 N GLU A 6 8.113 14.031 7.944 1.00 0.00 N ATOM 70 CA GLU A 6 7.091 14.405 6.924 1.00 0.00 C ATOM 71 C GLU A 6 6.658 13.168 6.135 1.00 0.00 C ATOM 72 O GLU A 6 6.334 13.245 4.967 1.00 0.00 O ATOM 73 CB GLU A 6 7.790 15.411 6.006 1.00 0.00 C ATOM 74 CG GLU A 6 9.065 14.784 5.435 1.00 0.00 C ATOM 75 CD GLU A 6 10.225 15.774 5.559 1.00 0.00 C ATOM 76 OE1 GLU A 6 9.997 16.869 6.047 1.00 0.00 O ATOM 77 OE2 GLU A 6 11.323 15.420 5.161 1.00 0.00 O ATOM 0 H GLU A 6 8.577 13.136 7.786 1.00 0.00 H new ATOM 0 HA GLU A 6 6.193 14.826 7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.122 15.705 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.035 16.316 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.301 13.864 5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.913 14.515 4.390 1.00 0.00 H new ATOM 84 N ARG A 7 6.649 12.027 6.767 1.00 0.00 N ATOM 85 CA ARG A 7 6.236 10.783 6.057 1.00 0.00 C ATOM 86 C ARG A 7 4.710 10.669 6.038 1.00 0.00 C ATOM 87 O ARG A 7 4.156 9.698 5.564 1.00 0.00 O ATOM 88 CB ARG A 7 6.842 9.641 6.872 1.00 0.00 C ATOM 89 CG ARG A 7 8.356 9.611 6.665 1.00 0.00 C ATOM 90 CD ARG A 7 8.732 8.364 5.863 1.00 0.00 C ATOM 91 NE ARG A 7 9.662 7.609 6.748 1.00 0.00 N ATOM 92 CZ ARG A 7 10.314 6.581 6.282 1.00 0.00 C ATOM 93 NH1 ARG A 7 9.703 5.707 5.531 1.00 0.00 N ATOM 94 NH2 ARG A 7 11.578 6.427 6.569 1.00 0.00 N ATOM 0 H ARG A 7 6.910 11.902 7.745 1.00 0.00 H new ATOM 0 HA ARG A 7 6.572 10.770 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.612 9.773 7.929 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.404 8.691 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.680 10.508 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.866 9.606 7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.851 7.771 5.617 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.211 8.629 4.920 1.00 0.00 H new ATOM 0 HE ARG A 7 9.789 7.896 7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.715 5.828 5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.213 4.903 5.166 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.054 7.111 7.157 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.089 5.623 6.205 1.00 0.00 H new ATOM 108 N ARG A 8 4.029 11.653 6.557 1.00 0.00 N ATOM 109 CA ARG A 8 2.539 11.602 6.578 1.00 0.00 C ATOM 110 C ARG A 8 1.984 11.164 5.216 1.00 0.00 C ATOM 111 O ARG A 8 0.862 10.708 5.118 1.00 0.00 O ATOM 112 CB ARG A 8 2.098 13.031 6.902 1.00 0.00 C ATOM 113 CG ARG A 8 2.417 13.951 5.722 1.00 0.00 C ATOM 114 CD ARG A 8 3.340 15.081 6.187 1.00 0.00 C ATOM 115 NE ARG A 8 4.289 15.296 5.058 1.00 0.00 N ATOM 116 CZ ARG A 8 3.944 16.055 4.054 1.00 0.00 C ATOM 117 NH1 ARG A 8 3.075 15.626 3.181 1.00 0.00 N ATOM 118 NH2 ARG A 8 4.468 17.243 3.922 1.00 0.00 N ATOM 0 H ARG A 8 4.440 12.491 6.968 1.00 0.00 H new ATOM 0 HA ARG A 8 2.170 10.881 7.307 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.029 13.053 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 8 2.607 13.384 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.895 13.383 4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.496 14.365 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.775 15.987 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.869 14.808 7.100 1.00 0.00 H new ATOM 0 HE ARG A 8 5.207 14.851 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.665 14.698 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.805 16.219 2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.148 17.579 4.604 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.198 17.835 3.137 1.00 0.00 H new ATOM 132 N LEU A 9 2.747 11.302 4.161 1.00 0.00 N ATOM 133 CA LEU A 9 2.235 10.896 2.826 1.00 0.00 C ATOM 134 C LEU A 9 3.238 9.984 2.097 1.00 0.00 C ATOM 135 O LEU A 9 3.960 10.415 1.202 1.00 0.00 O ATOM 136 CB LEU A 9 2.053 12.210 2.063 1.00 0.00 C ATOM 137 CG LEU A 9 0.566 12.594 1.969 1.00 0.00 C ATOM 138 CD1 LEU A 9 -0.296 11.361 1.685 1.00 0.00 C ATOM 139 CD2 LEU A 9 0.127 13.228 3.288 1.00 0.00 C ATOM 0 H LEU A 9 3.696 11.676 4.170 1.00 0.00 H new ATOM 0 HA LEU A 9 1.309 10.327 2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.606 13.005 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.471 12.113 1.061 1.00 0.00 H new ATOM 0 HG LEU A 9 0.437 13.303 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.343 11.656 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.011 10.912 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.170 10.636 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.926 13.502 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.270 12.515 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.724 14.120 3.479 1.00 0.00 H new ATOM 151 N ARG A 10 3.264 8.724 2.466 1.00 0.00 N ATOM 152 CA ARG A 10 4.190 7.749 1.812 1.00 0.00 C ATOM 153 C ARG A 10 3.492 6.404 1.622 1.00 0.00 C ATOM 154 O ARG A 10 3.020 5.776 2.560 1.00 0.00 O ATOM 155 CB ARG A 10 5.382 7.606 2.755 1.00 0.00 C ATOM 156 CG ARG A 10 6.646 8.091 2.042 1.00 0.00 C ATOM 157 CD ARG A 10 6.393 9.469 1.420 1.00 0.00 C ATOM 158 NE ARG A 10 5.934 10.325 2.553 1.00 0.00 N ATOM 159 CZ ARG A 10 6.384 11.542 2.671 1.00 0.00 C ATOM 160 NH1 ARG A 10 7.642 11.745 2.949 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.573 12.553 2.517 1.00 0.00 N ATOM 0 H ARG A 10 2.677 8.328 3.200 1.00 0.00 H new ATOM 0 HA ARG A 10 4.503 8.091 0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.216 8.187 3.662 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.498 6.566 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.475 8.147 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.934 7.380 1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.299 9.869 0.965 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.639 9.415 0.635 1.00 0.00 H new ATOM 0 HE ARG A 10 5.269 9.958 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.271 10.952 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.997 12.697 3.042 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.589 12.390 2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.923 13.506 2.609 1.00 0.00 H new ATOM 175 N VAL A 11 3.411 5.967 0.405 1.00 0.00 N ATOM 176 CA VAL A 11 2.722 4.682 0.121 1.00 0.00 C ATOM 177 C VAL A 11 3.726 3.579 -0.213 1.00 0.00 C ATOM 178 O VAL A 11 4.253 3.517 -1.308 1.00 0.00 O ATOM 179 CB VAL A 11 1.829 4.962 -1.099 1.00 0.00 C ATOM 180 CG1 VAL A 11 0.521 4.189 -0.959 1.00 0.00 C ATOM 181 CG2 VAL A 11 1.516 6.462 -1.206 1.00 0.00 C ATOM 0 H VAL A 11 3.793 6.444 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 11 2.153 4.339 0.985 1.00 0.00 H new ATOM 0 HB VAL A 11 2.358 4.645 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.113 4.387 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.734 3.121 -0.902 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.007 4.506 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.883 6.641 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.997 6.791 -0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.446 7.021 -1.313 1.00 0.00 H new ATOM 191 N LEU A 12 3.975 2.680 0.699 1.00 0.00 N ATOM 192 CA LEU A 12 4.908 1.579 0.374 1.00 0.00 C ATOM 193 C LEU A 12 4.096 0.466 -0.287 1.00 0.00 C ATOM 194 O LEU A 12 3.190 -0.085 0.300 1.00 0.00 O ATOM 195 CB LEU A 12 5.506 1.112 1.702 1.00 0.00 C ATOM 196 CG LEU A 12 6.060 2.296 2.517 1.00 0.00 C ATOM 197 CD1 LEU A 12 6.630 3.369 1.586 1.00 0.00 C ATOM 198 CD2 LEU A 12 4.949 2.906 3.373 1.00 0.00 C ATOM 0 H LEU A 12 3.578 2.663 1.638 1.00 0.00 H new ATOM 0 HA LEU A 12 5.707 1.879 -0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.744 0.593 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.304 0.395 1.511 1.00 0.00 H new ATOM 0 HG LEU A 12 6.857 1.926 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.017 4.198 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.436 2.942 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.843 3.732 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.349 3.742 3.946 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.145 3.260 2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.560 2.151 4.056 1.00 0.00 H new ATOM 210 N VAL A 13 4.387 0.151 -1.509 1.00 0.00 N ATOM 211 CA VAL A 13 3.606 -0.903 -2.210 1.00 0.00 C ATOM 212 C VAL A 13 4.566 -1.865 -2.886 1.00 0.00 C ATOM 213 O VAL A 13 5.574 -1.463 -3.423 1.00 0.00 O ATOM 214 CB VAL A 13 2.779 -0.142 -3.246 1.00 0.00 C ATOM 215 CG1 VAL A 13 1.690 -1.053 -3.814 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.135 1.077 -2.582 1.00 0.00 C ATOM 0 H VAL A 13 5.134 0.577 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 13 2.975 -1.490 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 13 3.429 0.184 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.105 -0.504 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.151 -1.919 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.037 -1.386 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.544 1.622 -3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.488 0.749 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.913 1.729 -2.186 1.00 0.00 H new ATOM 226 N VAL A 14 4.294 -3.132 -2.858 1.00 0.00 N ATOM 227 CA VAL A 14 5.250 -4.059 -3.496 1.00 0.00 C ATOM 228 C VAL A 14 4.587 -5.368 -3.938 1.00 0.00 C ATOM 229 O VAL A 14 3.541 -5.773 -3.447 1.00 0.00 O ATOM 230 CB VAL A 14 6.293 -4.321 -2.414 1.00 0.00 C ATOM 231 CG1 VAL A 14 7.130 -3.063 -2.171 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.595 -4.724 -1.118 1.00 0.00 C ATOM 0 H VAL A 14 3.471 -3.557 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 14 5.673 -3.634 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 14 6.949 -5.127 -2.744 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.871 -3.263 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.637 -2.779 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.479 -2.250 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.341 -4.911 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.933 -3.920 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.011 -5.629 -1.285 1.00 0.00 H new ATOM 242 N GLU A 15 5.229 -6.023 -4.868 1.00 0.00 N ATOM 243 CA GLU A 15 4.743 -7.324 -5.411 1.00 0.00 C ATOM 244 C GLU A 15 5.794 -7.865 -6.395 1.00 0.00 C ATOM 245 O GLU A 15 6.281 -7.149 -7.246 1.00 0.00 O ATOM 246 CB GLU A 15 3.430 -7.014 -6.124 1.00 0.00 C ATOM 247 CG GLU A 15 3.698 -6.065 -7.287 1.00 0.00 C ATOM 248 CD GLU A 15 3.576 -6.829 -8.603 1.00 0.00 C ATOM 249 OE1 GLU A 15 4.049 -7.952 -8.655 1.00 0.00 O ATOM 250 OE2 GLU A 15 3.009 -6.281 -9.535 1.00 0.00 O ATOM 0 H GLU A 15 6.100 -5.698 -5.287 1.00 0.00 H new ATOM 0 HA GLU A 15 4.588 -8.077 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.975 -7.935 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.723 -6.563 -5.428 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.988 -5.238 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.694 -5.633 -7.196 1.00 0.00 H new ATOM 257 N ASP A 16 6.163 -9.110 -6.249 1.00 0.00 N ATOM 258 CA ASP A 16 7.212 -9.737 -7.124 1.00 0.00 C ATOM 259 C ASP A 16 7.381 -9.039 -8.485 1.00 0.00 C ATOM 260 O ASP A 16 8.487 -8.855 -8.953 1.00 0.00 O ATOM 261 CB ASP A 16 6.728 -11.169 -7.334 1.00 0.00 C ATOM 262 CG ASP A 16 5.371 -11.153 -8.041 1.00 0.00 C ATOM 263 OD1 ASP A 16 4.501 -10.423 -7.593 1.00 0.00 O ATOM 264 OD2 ASP A 16 5.224 -11.869 -9.017 1.00 0.00 O ATOM 0 H ASP A 16 5.775 -9.738 -5.545 1.00 0.00 H new ATOM 0 HA ASP A 16 8.190 -9.664 -6.649 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.453 -11.725 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.644 -11.680 -6.375 1.00 0.00 H new ATOM 269 N GLU A 17 6.314 -8.687 -9.144 1.00 0.00 N ATOM 270 CA GLU A 17 6.454 -8.049 -10.492 1.00 0.00 C ATOM 271 C GLU A 17 6.826 -6.566 -10.393 1.00 0.00 C ATOM 272 O GLU A 17 6.731 -5.952 -9.350 1.00 0.00 O ATOM 273 CB GLU A 17 5.084 -8.208 -11.156 1.00 0.00 C ATOM 274 CG GLU A 17 4.616 -9.662 -11.042 1.00 0.00 C ATOM 275 CD GLU A 17 3.087 -9.711 -11.095 1.00 0.00 C ATOM 276 OE1 GLU A 17 2.490 -8.678 -11.348 1.00 0.00 O ATOM 277 OE2 GLU A 17 2.539 -10.781 -10.882 1.00 0.00 O ATOM 0 H GLU A 17 5.356 -8.810 -8.816 1.00 0.00 H new ATOM 0 HA GLU A 17 7.255 -8.520 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.361 -7.546 -10.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.142 -7.917 -12.205 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.038 -10.256 -11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.972 -10.098 -10.109 1.00 0.00 H new ATOM 284 N SER A 18 7.244 -5.991 -11.495 1.00 0.00 N ATOM 285 CA SER A 18 7.622 -4.546 -11.508 1.00 0.00 C ATOM 286 C SER A 18 6.447 -3.711 -12.008 1.00 0.00 C ATOM 287 O SER A 18 6.413 -2.508 -11.842 1.00 0.00 O ATOM 288 CB SER A 18 8.797 -4.445 -12.480 1.00 0.00 C ATOM 289 OG SER A 18 10.012 -4.657 -11.773 1.00 0.00 O ATOM 0 H SER A 18 7.340 -6.467 -12.392 1.00 0.00 H new ATOM 0 HA SER A 18 7.886 -4.178 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.691 -5.184 -13.274 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.806 -3.465 -12.956 1.00 0.00 H new ATOM 0 HG SER A 18 10.767 -4.594 -12.394 1.00 0.00 H new ATOM 295 N MET A 19 5.474 -4.340 -12.609 1.00 0.00 N ATOM 296 CA MET A 19 4.298 -3.575 -13.101 1.00 0.00 C ATOM 297 C MET A 19 3.775 -2.681 -11.975 1.00 0.00 C ATOM 298 O MET A 19 3.119 -1.683 -12.208 1.00 0.00 O ATOM 299 CB MET A 19 3.265 -4.636 -13.483 1.00 0.00 C ATOM 300 CG MET A 19 2.871 -5.436 -12.240 1.00 0.00 C ATOM 301 SD MET A 19 1.077 -5.359 -12.015 1.00 0.00 S ATOM 302 CE MET A 19 0.936 -3.559 -11.901 1.00 0.00 C ATOM 0 H MET A 19 5.444 -5.345 -12.779 1.00 0.00 H new ATOM 0 HA MET A 19 4.532 -2.929 -13.947 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.385 -4.162 -13.917 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.676 -5.302 -14.242 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.191 -6.473 -12.346 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.376 -5.035 -11.361 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.090 -3.289 -11.652 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.607 -3.190 -11.125 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.206 -3.112 -12.857 1.00 0.00 H new ATOM 312 N ILE A 20 4.082 -3.027 -10.753 1.00 0.00 N ATOM 313 CA ILE A 20 3.630 -2.202 -9.602 1.00 0.00 C ATOM 314 C ILE A 20 4.570 -1.010 -9.439 1.00 0.00 C ATOM 315 O ILE A 20 4.202 0.029 -8.927 1.00 0.00 O ATOM 316 CB ILE A 20 3.730 -3.133 -8.399 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.318 -2.384 -7.130 1.00 0.00 C ATOM 318 CG2 ILE A 20 5.168 -3.632 -8.254 1.00 0.00 C ATOM 319 CD1 ILE A 20 2.263 -3.198 -6.379 1.00 0.00 C ATOM 0 H ILE A 20 4.630 -3.851 -10.504 1.00 0.00 H new ATOM 0 HA ILE A 20 2.621 -1.808 -9.726 1.00 0.00 H new ATOM 0 HB ILE A 20 3.065 -3.983 -8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.187 -2.219 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.921 -1.402 -7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.237 -4.297 -7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.458 -4.173 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.835 -2.782 -8.110 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.969 -2.666 -5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.391 -3.340 -7.017 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.677 -4.170 -6.109 1.00 0.00 H new ATOM 331 N ALA A 21 5.787 -1.158 -9.882 1.00 0.00 N ATOM 332 CA ALA A 21 6.765 -0.045 -9.771 1.00 0.00 C ATOM 333 C ALA A 21 6.214 1.191 -10.477 1.00 0.00 C ATOM 334 O ALA A 21 5.863 2.176 -9.855 1.00 0.00 O ATOM 335 CB ALA A 21 8.017 -0.557 -10.479 1.00 0.00 C ATOM 0 H ALA A 21 6.146 -2.007 -10.318 1.00 0.00 H new ATOM 0 HA ALA A 21 6.970 0.238 -8.739 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.793 0.207 -10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.373 -1.459 -9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.780 -0.785 -11.518 1.00 0.00 H new ATOM 341 N MET A 22 6.121 1.144 -11.775 1.00 0.00 N ATOM 342 CA MET A 22 5.578 2.318 -12.511 1.00 0.00 C ATOM 343 C MET A 22 4.164 2.607 -12.017 1.00 0.00 C ATOM 344 O MET A 22 3.707 3.733 -12.024 1.00 0.00 O ATOM 345 CB MET A 22 5.573 1.907 -13.981 1.00 0.00 C ATOM 346 CG MET A 22 5.221 3.117 -14.848 1.00 0.00 C ATOM 347 SD MET A 22 5.195 2.624 -16.589 1.00 0.00 S ATOM 348 CE MET A 22 3.427 2.254 -16.693 1.00 0.00 C ATOM 0 H MET A 22 6.395 0.351 -12.355 1.00 0.00 H new ATOM 0 HA MET A 22 6.167 3.223 -12.360 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.550 1.516 -14.264 1.00 0.00 H new ATOM 0 HB3 MET A 22 4.850 1.107 -14.144 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.249 3.516 -14.557 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.951 3.912 -14.695 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.183 1.924 -17.703 1.00 0.00 H new ATOM 0 HE2 MET A 22 3.178 1.465 -15.983 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.853 3.150 -16.456 1.00 0.00 H new ATOM 358 N LEU A 23 3.481 1.598 -11.557 1.00 0.00 N ATOM 359 CA LEU A 23 2.110 1.809 -11.027 1.00 0.00 C ATOM 360 C LEU A 23 2.190 2.769 -9.841 1.00 0.00 C ATOM 361 O LEU A 23 1.197 3.299 -9.386 1.00 0.00 O ATOM 362 CB LEU A 23 1.650 0.413 -10.586 1.00 0.00 C ATOM 363 CG LEU A 23 0.447 0.500 -9.637 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.917 0.904 -8.236 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.561 1.527 -10.160 1.00 0.00 C ATOM 0 H LEU A 23 3.815 0.635 -11.526 1.00 0.00 H new ATOM 0 HA LEU A 23 1.419 2.242 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.384 -0.179 -11.462 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.472 -0.104 -10.090 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.034 -0.477 -9.586 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.058 0.964 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.619 0.160 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.409 1.876 -8.283 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.411 1.581 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.084 2.505 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.907 1.227 -11.149 1.00 0.00 H new ATOM 377 N ILE A 24 3.375 2.996 -9.335 1.00 0.00 N ATOM 378 CA ILE A 24 3.526 3.918 -8.179 1.00 0.00 C ATOM 379 C ILE A 24 3.838 5.332 -8.673 1.00 0.00 C ATOM 380 O ILE A 24 3.262 6.299 -8.215 1.00 0.00 O ATOM 381 CB ILE A 24 4.680 3.331 -7.349 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.371 3.539 -5.866 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.014 4.012 -7.685 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.747 2.283 -5.082 1.00 0.00 C ATOM 0 H ILE A 24 4.242 2.581 -9.675 1.00 0.00 H new ATOM 0 HA ILE A 24 2.618 4.001 -7.582 1.00 0.00 H new ATOM 0 HB ILE A 24 4.772 2.270 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.926 4.397 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.312 3.760 -5.732 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.809 3.574 -7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.240 3.868 -8.742 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.942 5.078 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.526 2.434 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.173 1.435 -5.456 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.811 2.082 -5.205 1.00 0.00 H new ATOM 396 N GLU A 25 4.736 5.463 -9.610 1.00 0.00 N ATOM 397 CA GLU A 25 5.057 6.822 -10.126 1.00 0.00 C ATOM 398 C GLU A 25 3.777 7.478 -10.649 1.00 0.00 C ATOM 399 O GLU A 25 3.629 8.684 -10.623 1.00 0.00 O ATOM 400 CB GLU A 25 6.063 6.601 -11.255 1.00 0.00 C ATOM 401 CG GLU A 25 7.451 6.348 -10.658 1.00 0.00 C ATOM 402 CD GLU A 25 8.366 7.535 -10.967 1.00 0.00 C ATOM 403 OE1 GLU A 25 7.958 8.656 -10.710 1.00 0.00 O ATOM 404 OE2 GLU A 25 9.460 7.303 -11.455 1.00 0.00 O ATOM 0 H GLU A 25 5.256 4.696 -10.037 1.00 0.00 H new ATOM 0 HA GLU A 25 5.468 7.479 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.758 5.752 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.090 7.473 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.374 6.206 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.874 5.432 -11.071 1.00 0.00 H new ATOM 411 N ASP A 26 2.840 6.689 -11.112 1.00 0.00 N ATOM 412 CA ASP A 26 1.565 7.272 -11.618 1.00 0.00 C ATOM 413 C ASP A 26 0.705 7.724 -10.433 1.00 0.00 C ATOM 414 O ASP A 26 0.221 8.837 -10.398 1.00 0.00 O ATOM 415 CB ASP A 26 0.891 6.147 -12.424 1.00 0.00 C ATOM 416 CG ASP A 26 0.017 5.268 -11.522 1.00 0.00 C ATOM 417 OD1 ASP A 26 -0.949 5.779 -10.979 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.321 4.092 -11.403 1.00 0.00 O ATOM 0 H ASP A 26 2.904 5.672 -11.160 1.00 0.00 H new ATOM 0 HA ASP A 26 1.718 8.151 -12.244 1.00 0.00 H new ATOM 0 HB2 ASP A 26 0.281 6.579 -13.217 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.653 5.534 -12.906 1.00 0.00 H new ATOM 423 N THR A 27 0.530 6.879 -9.452 1.00 0.00 N ATOM 424 CA THR A 27 -0.276 7.281 -8.270 1.00 0.00 C ATOM 425 C THR A 27 0.390 8.487 -7.613 1.00 0.00 C ATOM 426 O THR A 27 -0.234 9.496 -7.354 1.00 0.00 O ATOM 427 CB THR A 27 -0.251 6.072 -7.334 1.00 0.00 C ATOM 428 OG1 THR A 27 1.085 5.608 -7.200 1.00 0.00 O ATOM 429 CG2 THR A 27 -1.122 4.957 -7.912 1.00 0.00 C ATOM 0 H THR A 27 0.910 5.933 -9.421 1.00 0.00 H new ATOM 0 HA THR A 27 -1.299 7.560 -8.524 1.00 0.00 H new ATOM 0 HB THR A 27 -0.637 6.362 -6.357 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.638 5.992 -7.913 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.103 4.096 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.147 5.313 -8.016 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.738 4.665 -8.890 1.00 0.00 H new ATOM 437 N LEU A 28 1.669 8.389 -7.366 1.00 0.00 N ATOM 438 CA LEU A 28 2.402 9.528 -6.751 1.00 0.00 C ATOM 439 C LEU A 28 2.214 10.768 -7.627 1.00 0.00 C ATOM 440 O LEU A 28 2.270 11.886 -7.157 1.00 0.00 O ATOM 441 CB LEU A 28 3.868 9.075 -6.714 1.00 0.00 C ATOM 442 CG LEU A 28 4.807 10.287 -6.671 1.00 0.00 C ATOM 443 CD1 LEU A 28 5.639 10.245 -5.389 1.00 0.00 C ATOM 444 CD2 LEU A 28 5.742 10.243 -7.884 1.00 0.00 C ATOM 0 H LEU A 28 2.237 7.566 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 28 2.050 9.788 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.038 8.446 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.089 8.468 -7.592 1.00 0.00 H new ATOM 0 HG LEU A 28 4.219 11.205 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.306 11.107 -5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.976 10.269 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.229 9.329 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.412 11.103 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.329 9.325 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.151 10.270 -8.800 1.00 0.00 H new ATOM 456 N CYS A 29 1.971 10.579 -8.895 1.00 0.00 N ATOM 457 CA CYS A 29 1.756 11.752 -9.782 1.00 0.00 C ATOM 458 C CYS A 29 0.504 12.495 -9.318 1.00 0.00 C ATOM 459 O CYS A 29 0.321 13.666 -9.583 1.00 0.00 O ATOM 460 CB CYS A 29 1.552 11.166 -11.179 1.00 0.00 C ATOM 461 SG CYS A 29 1.714 12.480 -12.414 1.00 0.00 S ATOM 0 H CYS A 29 1.913 9.668 -9.351 1.00 0.00 H new ATOM 0 HA CYS A 29 2.587 12.458 -9.768 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.286 10.383 -11.367 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.567 10.704 -11.251 1.00 0.00 H new ATOM 0 HG CYS A 29 1.543 11.982 -13.603 1.00 0.00 H new ATOM 467 N GLU A 30 -0.359 11.808 -8.618 1.00 0.00 N ATOM 468 CA GLU A 30 -1.603 12.443 -8.118 1.00 0.00 C ATOM 469 C GLU A 30 -1.346 13.133 -6.776 1.00 0.00 C ATOM 470 O GLU A 30 -1.652 14.295 -6.597 1.00 0.00 O ATOM 471 CB GLU A 30 -2.590 11.288 -7.943 1.00 0.00 C ATOM 472 CG GLU A 30 -3.943 11.838 -7.492 1.00 0.00 C ATOM 473 CD GLU A 30 -4.865 11.979 -8.704 1.00 0.00 C ATOM 474 OE1 GLU A 30 -5.331 10.962 -9.191 1.00 0.00 O ATOM 475 OE2 GLU A 30 -5.092 13.102 -9.123 1.00 0.00 O ATOM 0 H GLU A 30 -0.250 10.824 -8.371 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.979 13.206 -8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.701 10.745 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.210 10.579 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.392 11.171 -6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.811 12.805 -7.007 1.00 0.00 H new ATOM 482 N LEU A 31 -0.788 12.425 -5.827 1.00 0.00 N ATOM 483 CA LEU A 31 -0.520 13.049 -4.497 1.00 0.00 C ATOM 484 C LEU A 31 0.800 13.812 -4.532 1.00 0.00 C ATOM 485 O LEU A 31 0.970 14.812 -3.862 1.00 0.00 O ATOM 486 CB LEU A 31 -0.379 11.902 -3.485 1.00 0.00 C ATOM 487 CG LEU A 31 -1.203 10.678 -3.887 1.00 0.00 C ATOM 488 CD1 LEU A 31 -0.254 9.566 -4.344 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.994 10.193 -2.671 1.00 0.00 C ATOM 0 H LEU A 31 -0.508 11.448 -5.915 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.324 13.736 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.671 11.620 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.697 12.246 -2.501 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.886 10.937 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.833 8.689 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.329 9.913 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.419 9.304 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.586 9.320 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.304 9.926 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.657 10.987 -2.328 1.00 0.00 H new ATOM 501 N GLY A 32 1.754 13.319 -5.269 1.00 0.00 N ATOM 502 CA GLY A 32 3.079 13.987 -5.295 1.00 0.00 C ATOM 503 C GLY A 32 3.789 13.602 -4.001 1.00 0.00 C ATOM 504 O GLY A 32 4.539 14.367 -3.429 1.00 0.00 O ATOM 0 H GLY A 32 1.673 12.486 -5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.656 13.668 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.966 15.069 -5.367 1.00 0.00 H new ATOM 508 N HIS A 33 3.522 12.411 -3.532 1.00 0.00 N ATOM 509 CA HIS A 33 4.135 11.929 -2.262 1.00 0.00 C ATOM 510 C HIS A 33 5.640 12.134 -2.269 1.00 0.00 C ATOM 511 O HIS A 33 6.186 12.775 -3.144 1.00 0.00 O ATOM 512 CB HIS A 33 3.795 10.444 -2.210 1.00 0.00 C ATOM 513 CG HIS A 33 2.383 10.308 -1.735 1.00 0.00 C ATOM 514 ND1 HIS A 33 1.598 9.203 -2.012 1.00 0.00 N ATOM 515 CD2 HIS A 33 1.605 11.150 -0.992 1.00 0.00 C ATOM 516 CE1 HIS A 33 0.400 9.407 -1.436 1.00 0.00 C ATOM 517 NE2 HIS A 33 0.350 10.583 -0.800 1.00 0.00 N ATOM 0 H HIS A 33 2.896 11.744 -3.983 1.00 0.00 H new ATOM 0 HA HIS A 33 3.759 12.473 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.911 9.992 -3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.475 9.921 -1.538 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.876 8.385 -2.553 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.918 12.111 -0.611 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.421 8.707 -1.481 1.00 0.00 H new ATOM 525 N GLU A 34 6.326 11.596 -1.301 1.00 0.00 N ATOM 526 CA GLU A 34 7.807 11.789 -1.290 1.00 0.00 C ATOM 527 C GLU A 34 8.517 10.562 -1.871 1.00 0.00 C ATOM 528 O GLU A 34 9.481 10.688 -2.601 1.00 0.00 O ATOM 529 CB GLU A 34 8.182 12.018 0.171 1.00 0.00 C ATOM 530 CG GLU A 34 9.315 13.048 0.245 1.00 0.00 C ATOM 531 CD GLU A 34 9.860 13.114 1.673 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.064 12.064 2.257 1.00 0.00 O ATOM 533 OE2 GLU A 34 10.066 14.215 2.156 1.00 0.00 O ATOM 0 H GLU A 34 5.941 11.044 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 34 8.113 12.633 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.316 12.372 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.496 11.080 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.112 12.776 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.949 14.028 -0.060 1.00 0.00 H new ATOM 540 N VAL A 35 8.048 9.379 -1.577 1.00 0.00 N ATOM 541 CA VAL A 35 8.706 8.162 -2.144 1.00 0.00 C ATOM 542 C VAL A 35 7.971 6.893 -1.704 1.00 0.00 C ATOM 543 O VAL A 35 7.732 6.673 -0.534 1.00 0.00 O ATOM 544 CB VAL A 35 10.135 8.171 -1.594 1.00 0.00 C ATOM 545 CG1 VAL A 35 10.119 7.844 -0.099 1.00 0.00 C ATOM 546 CG2 VAL A 35 10.964 7.118 -2.335 1.00 0.00 C ATOM 0 H VAL A 35 7.245 9.201 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 35 8.692 8.172 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 35 10.573 9.158 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.139 7.852 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.525 8.589 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.682 6.857 0.053 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.983 7.119 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.520 6.134 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.980 7.351 -3.400 1.00 0.00 H new ATOM 556 N ALA A 36 7.615 6.053 -2.637 1.00 0.00 N ATOM 557 CA ALA A 36 6.905 4.800 -2.277 1.00 0.00 C ATOM 558 C ALA A 36 7.812 3.590 -2.526 1.00 0.00 C ATOM 559 O ALA A 36 8.999 3.729 -2.745 1.00 0.00 O ATOM 560 CB ALA A 36 5.684 4.760 -3.193 1.00 0.00 C ATOM 0 H ALA A 36 7.787 6.183 -3.634 1.00 0.00 H new ATOM 0 HA ALA A 36 6.622 4.770 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.105 3.860 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.065 5.639 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.010 4.753 -4.233 1.00 0.00 H new ATOM 566 N ALA A 37 7.265 2.406 -2.496 1.00 0.00 N ATOM 567 CA ALA A 37 8.104 1.190 -2.734 1.00 0.00 C ATOM 568 C ALA A 37 7.562 0.400 -3.929 1.00 0.00 C ATOM 569 O ALA A 37 6.395 0.488 -4.253 1.00 0.00 O ATOM 570 CB ALA A 37 7.980 0.367 -1.452 1.00 0.00 C ATOM 0 H ALA A 37 6.277 2.225 -2.318 1.00 0.00 H new ATOM 0 HA ALA A 37 9.140 1.441 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.569 -0.545 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.348 0.951 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.934 0.108 -1.286 1.00 0.00 H new ATOM 576 N THR A 38 8.400 -0.363 -4.591 1.00 0.00 N ATOM 577 CA THR A 38 7.922 -1.146 -5.771 1.00 0.00 C ATOM 578 C THR A 38 8.428 -2.590 -5.722 1.00 0.00 C ATOM 579 O THR A 38 9.368 -2.908 -5.022 1.00 0.00 O ATOM 580 CB THR A 38 8.505 -0.433 -6.987 1.00 0.00 C ATOM 581 OG1 THR A 38 8.431 -1.302 -8.106 1.00 0.00 O ATOM 582 CG2 THR A 38 9.966 -0.069 -6.723 1.00 0.00 C ATOM 0 H THR A 38 9.388 -0.476 -4.365 1.00 0.00 H new ATOM 0 HA THR A 38 6.833 -1.197 -5.797 1.00 0.00 H new ATOM 0 HB THR A 38 7.940 0.479 -7.183 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.306 -1.718 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.377 0.440 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.026 0.589 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.538 -0.977 -6.529 1.00 0.00 H new ATOM 590 N ALA A 39 7.800 -3.459 -6.475 1.00 0.00 N ATOM 591 CA ALA A 39 8.208 -4.897 -6.496 1.00 0.00 C ATOM 592 C ALA A 39 8.231 -5.444 -5.073 1.00 0.00 C ATOM 593 O ALA A 39 8.330 -4.707 -4.123 1.00 0.00 O ATOM 594 CB ALA A 39 9.605 -4.931 -7.097 1.00 0.00 C ATOM 0 H ALA A 39 7.013 -3.230 -7.083 1.00 0.00 H new ATOM 0 HA ALA A 39 7.515 -5.507 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.958 -5.961 -7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.578 -4.516 -8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.281 -4.340 -6.479 1.00 0.00 H new ATOM 600 N SER A 40 8.112 -6.726 -4.912 1.00 0.00 N ATOM 601 CA SER A 40 8.113 -7.290 -3.536 1.00 0.00 C ATOM 602 C SER A 40 9.537 -7.357 -2.991 1.00 0.00 C ATOM 603 O SER A 40 10.412 -7.970 -3.570 1.00 0.00 O ATOM 604 CB SER A 40 7.500 -8.672 -3.670 1.00 0.00 C ATOM 605 OG SER A 40 8.398 -9.529 -4.361 1.00 0.00 O ATOM 0 H SER A 40 8.015 -7.406 -5.666 1.00 0.00 H new ATOM 0 HA SER A 40 7.548 -6.676 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.279 -9.080 -2.684 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.554 -8.610 -4.208 1.00 0.00 H new ATOM 0 HG SER A 40 9.286 -9.115 -4.393 1.00 0.00 H new ATOM 611 N ARG A 41 9.774 -6.713 -1.881 1.00 0.00 N ATOM 612 CA ARG A 41 11.134 -6.711 -1.289 1.00 0.00 C ATOM 613 C ARG A 41 11.055 -6.853 0.232 1.00 0.00 C ATOM 614 O ARG A 41 10.455 -6.041 0.908 1.00 0.00 O ATOM 615 CB ARG A 41 11.712 -5.345 -1.660 1.00 0.00 C ATOM 616 CG ARG A 41 13.236 -5.366 -1.505 1.00 0.00 C ATOM 617 CD ARG A 41 13.814 -6.585 -2.227 1.00 0.00 C ATOM 618 NE ARG A 41 15.287 -6.364 -2.237 1.00 0.00 N ATOM 619 CZ ARG A 41 15.899 -6.080 -3.354 1.00 0.00 C ATOM 620 NH1 ARG A 41 15.304 -5.351 -4.259 1.00 0.00 N ATOM 621 NH2 ARG A 41 17.108 -6.525 -3.567 1.00 0.00 N ATOM 0 H ARG A 41 9.076 -6.185 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 41 11.744 -7.537 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.445 -5.094 -2.687 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.283 -4.573 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.665 -4.452 -1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.503 -5.397 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.557 -7.509 -1.709 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.420 -6.667 -3.240 1.00 0.00 H new ATOM 0 HE ARG A 41 15.818 -6.435 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 41 14.360 -5.003 -4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.783 -5.130 -5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.574 -7.094 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.587 -6.303 -4.440 1.00 0.00 H new ATOM 635 N MET A 42 11.664 -7.866 0.781 1.00 0.00 N ATOM 636 CA MET A 42 11.626 -8.035 2.258 1.00 0.00 C ATOM 637 C MET A 42 12.309 -6.842 2.926 1.00 0.00 C ATOM 638 O MET A 42 12.135 -6.586 4.101 1.00 0.00 O ATOM 639 CB MET A 42 12.402 -9.322 2.534 1.00 0.00 C ATOM 640 CG MET A 42 11.665 -10.501 1.902 1.00 0.00 C ATOM 641 SD MET A 42 12.640 -12.009 2.127 1.00 0.00 S ATOM 642 CE MET A 42 12.554 -12.071 3.933 1.00 0.00 C ATOM 0 H MET A 42 12.184 -8.581 0.273 1.00 0.00 H new ATOM 0 HA MET A 42 10.609 -8.089 2.647 1.00 0.00 H new ATOM 0 HB2 MET A 42 13.410 -9.247 2.126 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.504 -9.476 3.608 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.683 -10.618 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.502 -10.315 0.840 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.686 -13.100 4.268 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.341 -11.447 4.356 1.00 0.00 H new ATOM 0 HE3 MET A 42 11.583 -11.703 4.264 1.00 0.00 H new ATOM 652 N GLN A 43 13.089 -6.109 2.178 1.00 0.00 N ATOM 653 CA GLN A 43 13.791 -4.930 2.757 1.00 0.00 C ATOM 654 C GLN A 43 12.845 -3.730 2.827 1.00 0.00 C ATOM 655 O GLN A 43 12.415 -3.326 3.890 1.00 0.00 O ATOM 656 CB GLN A 43 14.945 -4.644 1.795 1.00 0.00 C ATOM 657 CG GLN A 43 16.215 -4.353 2.596 1.00 0.00 C ATOM 658 CD GLN A 43 17.419 -4.974 1.888 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.776 -4.570 0.799 1.00 0.00 O ATOM 660 NE2 GLN A 43 18.066 -5.947 2.467 1.00 0.00 N ATOM 0 H GLN A 43 13.270 -6.277 1.188 1.00 0.00 H new ATOM 0 HA GLN A 43 14.141 -5.118 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 43 15.105 -5.498 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 43 14.700 -3.793 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 43 16.355 -3.277 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.123 -4.759 3.603 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.766 -6.286 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 43 18.872 -6.369 2.006 1.00 0.00 H new ATOM 669 N GLU A 44 12.522 -3.151 1.703 1.00 0.00 N ATOM 670 CA GLU A 44 11.609 -1.974 1.707 1.00 0.00 C ATOM 671 C GLU A 44 10.267 -2.349 2.335 1.00 0.00 C ATOM 672 O GLU A 44 9.658 -1.564 3.035 1.00 0.00 O ATOM 673 CB GLU A 44 11.431 -1.599 0.234 1.00 0.00 C ATOM 674 CG GLU A 44 12.665 -0.838 -0.253 1.00 0.00 C ATOM 675 CD GLU A 44 12.749 0.514 0.457 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.180 0.537 1.599 1.00 0.00 O ATOM 677 OE2 GLU A 44 12.383 1.505 -0.154 1.00 0.00 O ATOM 0 H GLU A 44 12.851 -3.442 0.783 1.00 0.00 H new ATOM 0 HA GLU A 44 12.010 -1.144 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.285 -2.497 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.539 -0.984 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.565 -1.420 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.611 -0.691 -1.332 1.00 0.00 H new ATOM 684 N ALA A 45 9.804 -3.545 2.104 1.00 0.00 N ATOM 685 CA ALA A 45 8.508 -3.956 2.708 1.00 0.00 C ATOM 686 C ALA A 45 8.608 -3.818 4.224 1.00 0.00 C ATOM 687 O ALA A 45 7.863 -3.092 4.848 1.00 0.00 O ATOM 688 CB ALA A 45 8.323 -5.418 2.307 1.00 0.00 C ATOM 0 H ALA A 45 10.263 -4.251 1.528 1.00 0.00 H new ATOM 0 HA ALA A 45 7.668 -3.348 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.385 -5.792 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.301 -5.497 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.151 -6.010 2.697 1.00 0.00 H new ATOM 694 N LEU A 46 9.550 -4.490 4.816 1.00 0.00 N ATOM 695 CA LEU A 46 9.730 -4.384 6.285 1.00 0.00 C ATOM 696 C LEU A 46 9.638 -2.922 6.703 1.00 0.00 C ATOM 697 O LEU A 46 9.132 -2.596 7.755 1.00 0.00 O ATOM 698 CB LEU A 46 11.131 -4.931 6.534 1.00 0.00 C ATOM 699 CG LEU A 46 11.242 -5.383 7.990 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.338 -6.587 8.224 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.689 -5.760 8.302 1.00 0.00 C ATOM 0 H LEU A 46 10.206 -5.111 4.343 1.00 0.00 H new ATOM 0 HA LEU A 46 8.974 -4.927 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.332 -5.767 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.877 -4.165 6.320 1.00 0.00 H new ATOM 0 HG LEU A 46 10.933 -4.568 8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.419 -6.907 9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.305 -6.314 8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.642 -7.403 7.568 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.765 -6.082 9.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.003 -6.572 7.646 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.333 -4.895 8.142 1.00 0.00 H new ATOM 713 N ASP A 47 10.127 -2.037 5.881 1.00 0.00 N ATOM 714 CA ASP A 47 10.075 -0.591 6.227 1.00 0.00 C ATOM 715 C ASP A 47 8.621 -0.128 6.362 1.00 0.00 C ATOM 716 O ASP A 47 8.302 0.707 7.186 1.00 0.00 O ATOM 717 CB ASP A 47 10.767 0.125 5.067 1.00 0.00 C ATOM 718 CG ASP A 47 11.700 1.201 5.625 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.619 0.844 6.343 1.00 0.00 O ATOM 720 OD2 ASP A 47 11.475 2.363 5.331 1.00 0.00 O ATOM 0 H ASP A 47 10.561 -2.253 4.984 1.00 0.00 H new ATOM 0 HA ASP A 47 10.561 -0.379 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.333 -0.589 4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.025 0.576 4.408 1.00 0.00 H new ATOM 725 N ILE A 48 7.734 -0.667 5.568 1.00 0.00 N ATOM 726 CA ILE A 48 6.311 -0.260 5.667 1.00 0.00 C ATOM 727 C ILE A 48 5.767 -0.710 7.027 1.00 0.00 C ATOM 728 O ILE A 48 4.978 -0.033 7.653 1.00 0.00 O ATOM 729 CB ILE A 48 5.577 -0.948 4.495 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.154 -2.375 4.882 1.00 0.00 C ATOM 731 CG2 ILE A 48 6.487 -0.996 3.264 1.00 0.00 C ATOM 732 CD1 ILE A 48 4.925 -3.216 3.615 1.00 0.00 C ATOM 0 H ILE A 48 7.938 -1.370 4.858 1.00 0.00 H new ATOM 0 HA ILE A 48 6.174 0.819 5.601 1.00 0.00 H new ATOM 0 HB ILE A 48 4.683 -0.370 4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.924 -2.836 5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.242 -2.344 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.962 -1.483 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.757 0.019 2.972 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.390 -1.558 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.626 -4.225 3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.140 -2.760 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.847 -3.260 3.036 1.00 0.00 H new ATOM 744 N ALA A 49 6.207 -1.841 7.507 1.00 0.00 N ATOM 745 CA ALA A 49 5.734 -2.308 8.832 1.00 0.00 C ATOM 746 C ALA A 49 6.653 -1.745 9.922 1.00 0.00 C ATOM 747 O ALA A 49 6.201 -1.140 10.874 1.00 0.00 O ATOM 748 CB ALA A 49 5.828 -3.833 8.781 1.00 0.00 C ATOM 0 H ALA A 49 6.871 -2.457 7.038 1.00 0.00 H new ATOM 0 HA ALA A 49 4.718 -1.981 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.493 -4.250 9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.197 -4.210 7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.862 -4.128 8.600 1.00 0.00 H new ATOM 754 N ARG A 50 7.945 -1.925 9.775 1.00 0.00 N ATOM 755 CA ARG A 50 8.902 -1.382 10.789 1.00 0.00 C ATOM 756 C ARG A 50 8.457 0.010 11.193 1.00 0.00 C ATOM 757 O ARG A 50 8.332 0.335 12.356 1.00 0.00 O ATOM 758 CB ARG A 50 10.249 -1.273 10.073 1.00 0.00 C ATOM 759 CG ARG A 50 10.942 -2.628 10.036 1.00 0.00 C ATOM 760 CD ARG A 50 11.991 -2.619 8.919 1.00 0.00 C ATOM 761 NE ARG A 50 12.889 -1.471 9.229 1.00 0.00 N ATOM 762 CZ ARG A 50 13.913 -1.213 8.458 1.00 0.00 C ATOM 763 NH1 ARG A 50 14.177 -1.985 7.439 1.00 0.00 N ATOM 764 NH2 ARG A 50 14.671 -0.179 8.703 1.00 0.00 N ATOM 0 H ARG A 50 8.376 -2.424 8.997 1.00 0.00 H new ATOM 0 HA ARG A 50 8.955 -2.014 11.676 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.100 -0.906 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.882 -0.548 10.584 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.415 -2.836 10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.213 -3.420 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.546 -3.557 8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.523 -2.499 7.942 1.00 0.00 H new ATOM 0 HE ARG A 50 12.705 -0.886 10.044 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.584 -2.791 7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 50 14.976 -1.782 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.465 0.428 9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.470 0.022 8.101 1.00 0.00 H new ATOM 778 N LYS A 51 8.221 0.833 10.216 1.00 0.00 N ATOM 779 CA LYS A 51 7.785 2.224 10.503 1.00 0.00 C ATOM 780 C LYS A 51 6.563 2.200 11.414 1.00 0.00 C ATOM 781 O LYS A 51 6.478 2.942 12.372 1.00 0.00 O ATOM 782 CB LYS A 51 7.413 2.815 9.141 1.00 0.00 C ATOM 783 CG LYS A 51 6.771 4.192 9.336 1.00 0.00 C ATOM 784 CD LYS A 51 7.806 5.172 9.890 1.00 0.00 C ATOM 785 CE LYS A 51 7.418 6.599 9.491 1.00 0.00 C ATOM 786 NZ LYS A 51 8.287 7.484 10.317 1.00 0.00 N ATOM 0 H LYS A 51 8.311 0.602 9.227 1.00 0.00 H new ATOM 0 HA LYS A 51 8.559 2.807 11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.302 2.902 8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.722 2.151 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.381 4.559 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.926 4.116 10.020 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.859 5.087 10.975 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.796 4.930 9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.581 6.769 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.363 6.790 9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.077 8.479 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.105 7.306 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.286 7.286 10.105 1.00 0.00 H new ATOM 800 N GLY A 52 5.611 1.359 11.125 1.00 0.00 N ATOM 801 CA GLY A 52 4.392 1.301 11.978 1.00 0.00 C ATOM 802 C GLY A 52 3.524 2.531 11.705 1.00 0.00 C ATOM 803 O GLY A 52 2.337 2.424 11.472 1.00 0.00 O ATOM 0 H GLY A 52 5.623 0.711 10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.830 0.391 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.672 1.266 13.031 1.00 0.00 H new ATOM 807 N GLN A 53 4.104 3.703 11.739 1.00 0.00 N ATOM 808 CA GLN A 53 3.310 4.935 11.488 1.00 0.00 C ATOM 809 C GLN A 53 3.504 5.423 10.052 1.00 0.00 C ATOM 810 O GLN A 53 3.320 6.590 9.768 1.00 0.00 O ATOM 811 CB GLN A 53 3.855 5.980 12.469 1.00 0.00 C ATOM 812 CG GLN A 53 4.160 5.326 13.817 1.00 0.00 C ATOM 813 CD GLN A 53 2.848 4.929 14.495 1.00 0.00 C ATOM 814 OE1 GLN A 53 2.511 3.764 14.562 1.00 0.00 O ATOM 815 NE2 GLN A 53 2.090 5.859 15.008 1.00 0.00 N ATOM 0 H GLN A 53 5.094 3.857 11.930 1.00 0.00 H new ATOM 0 HA GLN A 53 2.244 4.754 11.625 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.759 6.434 12.063 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.127 6.781 12.601 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.789 4.447 13.674 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.716 6.016 14.451 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.374 6.837 14.951 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.214 5.608 15.466 1.00 0.00 H new ATOM 824 N PHE A 54 3.863 4.560 9.133 1.00 0.00 N ATOM 825 CA PHE A 54 4.034 5.042 7.734 1.00 0.00 C ATOM 826 C PHE A 54 2.694 5.575 7.221 1.00 0.00 C ATOM 827 O PHE A 54 2.093 6.438 7.829 1.00 0.00 O ATOM 828 CB PHE A 54 4.550 3.857 6.885 1.00 0.00 C ATOM 829 CG PHE A 54 3.612 2.663 6.901 1.00 0.00 C ATOM 830 CD1 PHE A 54 2.508 2.608 7.760 1.00 0.00 C ATOM 831 CD2 PHE A 54 3.875 1.586 6.044 1.00 0.00 C ATOM 832 CE1 PHE A 54 1.674 1.486 7.759 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.044 0.467 6.047 1.00 0.00 C ATOM 834 CZ PHE A 54 1.942 0.414 6.903 1.00 0.00 C ATOM 0 H PHE A 54 4.041 3.568 9.288 1.00 0.00 H new ATOM 0 HA PHE A 54 4.755 5.857 7.674 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.690 4.188 5.856 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.527 3.549 7.257 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.300 3.434 8.425 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.725 1.623 5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.821 1.447 8.421 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.253 -0.361 5.386 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.298 -0.453 6.904 1.00 0.00 H new ATOM 844 N ASP A 55 2.205 5.086 6.126 1.00 0.00 N ATOM 845 CA ASP A 55 0.900 5.598 5.633 1.00 0.00 C ATOM 846 C ASP A 55 0.170 4.497 4.884 1.00 0.00 C ATOM 847 O ASP A 55 -1.029 4.369 4.988 1.00 0.00 O ATOM 848 CB ASP A 55 1.225 6.773 4.708 1.00 0.00 C ATOM 849 CG ASP A 55 2.397 7.575 5.281 1.00 0.00 C ATOM 850 OD1 ASP A 55 2.195 8.259 6.272 1.00 0.00 O ATOM 851 OD2 ASP A 55 3.476 7.493 4.718 1.00 0.00 O ATOM 0 H ASP A 55 2.642 4.363 5.554 1.00 0.00 H new ATOM 0 HA ASP A 55 0.251 5.919 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.476 6.406 3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.351 7.415 4.600 1.00 0.00 H new ATOM 856 N ILE A 56 0.877 3.696 4.132 1.00 0.00 N ATOM 857 CA ILE A 56 0.184 2.595 3.392 1.00 0.00 C ATOM 858 C ILE A 56 1.155 1.447 3.065 1.00 0.00 C ATOM 859 O ILE A 56 2.348 1.645 2.969 1.00 0.00 O ATOM 860 CB ILE A 56 -0.354 3.263 2.128 1.00 0.00 C ATOM 861 CG1 ILE A 56 -1.587 4.098 2.506 1.00 0.00 C ATOM 862 CG2 ILE A 56 -0.727 2.191 1.105 1.00 0.00 C ATOM 863 CD1 ILE A 56 -2.422 4.415 1.264 1.00 0.00 C ATOM 0 H ILE A 56 1.887 3.752 3.997 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.613 2.137 3.978 1.00 0.00 H new ATOM 0 HB ILE A 56 0.403 3.912 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.194 3.554 3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.272 5.025 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.111 2.667 0.203 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.156 1.602 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.492 1.538 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.291 5.007 1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.818 4.979 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.753 3.485 0.801 1.00 0.00 H new ATOM 875 N ALA A 57 0.650 0.239 2.910 1.00 0.00 N ATOM 876 CA ALA A 57 1.554 -0.920 2.611 1.00 0.00 C ATOM 877 C ALA A 57 0.824 -1.958 1.757 1.00 0.00 C ATOM 878 O ALA A 57 -0.245 -2.406 2.110 1.00 0.00 O ATOM 879 CB ALA A 57 1.886 -1.515 3.977 1.00 0.00 C ATOM 0 H ALA A 57 -0.342 0.010 2.978 1.00 0.00 H new ATOM 0 HA ALA A 57 2.443 -0.615 2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.547 -2.373 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.382 -0.763 4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.967 -1.835 4.468 1.00 0.00 H new ATOM 885 N ILE A 58 1.367 -2.347 0.634 1.00 0.00 N ATOM 886 CA ILE A 58 0.632 -3.344 -0.193 1.00 0.00 C ATOM 887 C ILE A 58 1.531 -4.455 -0.739 1.00 0.00 C ATOM 888 O ILE A 58 2.082 -4.349 -1.816 1.00 0.00 O ATOM 889 CB ILE A 58 0.054 -2.536 -1.351 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.892 -1.471 -0.800 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.712 -3.464 -2.296 1.00 0.00 C ATOM 892 CD1 ILE A 58 -0.070 -0.284 -0.303 1.00 0.00 C ATOM 0 H ILE A 58 2.262 -2.028 0.262 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.122 -3.852 0.409 1.00 0.00 H new ATOM 0 HB ILE A 58 0.864 -2.056 -1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.588 -1.149 -1.575 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.489 -1.883 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.123 -2.883 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.035 -4.223 -2.688 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.524 -3.947 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.738 0.481 0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.608 -0.615 0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.507 0.130 -1.129 1.00 0.00 H new ATOM 904 N ILE A 59 1.601 -5.557 -0.048 1.00 0.00 N ATOM 905 CA ILE A 59 2.366 -6.718 -0.573 1.00 0.00 C ATOM 906 C ILE A 59 1.337 -7.534 -1.354 1.00 0.00 C ATOM 907 O ILE A 59 1.021 -8.664 -1.038 1.00 0.00 O ATOM 908 CB ILE A 59 2.887 -7.471 0.655 1.00 0.00 C ATOM 909 CG1 ILE A 59 4.185 -6.820 1.134 1.00 0.00 C ATOM 910 CG2 ILE A 59 3.175 -8.920 0.276 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.920 -6.010 2.402 1.00 0.00 C ATOM 0 H ILE A 59 1.160 -5.703 0.860 1.00 0.00 H new ATOM 0 HA ILE A 59 3.212 -6.474 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 59 2.138 -7.436 1.446 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.936 -7.586 1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.587 -6.172 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.546 -9.458 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.259 -9.392 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.926 -8.947 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.848 -5.548 2.739 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.184 -5.234 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.538 -6.669 3.182 1.00 0.00 H new ATOM 923 N ASP A 60 0.762 -6.905 -2.341 1.00 0.00 N ATOM 924 CA ASP A 60 -0.319 -7.547 -3.143 1.00 0.00 C ATOM 925 C ASP A 60 0.095 -8.926 -3.656 1.00 0.00 C ATOM 926 O ASP A 60 1.189 -9.398 -3.424 1.00 0.00 O ATOM 927 CB ASP A 60 -0.585 -6.552 -4.294 1.00 0.00 C ATOM 928 CG ASP A 60 -0.272 -7.177 -5.661 1.00 0.00 C ATOM 929 OD1 ASP A 60 -1.116 -7.898 -6.168 1.00 0.00 O ATOM 930 OD2 ASP A 60 0.805 -6.920 -6.175 1.00 0.00 O ATOM 0 H ASP A 60 0.999 -5.956 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.215 -7.735 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.627 -6.234 -4.268 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.024 -5.659 -4.153 1.00 0.00 H new ATOM 935 N VAL A 61 -0.797 -9.562 -4.359 1.00 0.00 N ATOM 936 CA VAL A 61 -0.513 -10.909 -4.915 1.00 0.00 C ATOM 937 C VAL A 61 -0.144 -11.890 -3.788 1.00 0.00 C ATOM 938 O VAL A 61 0.971 -11.942 -3.309 1.00 0.00 O ATOM 939 CB VAL A 61 0.621 -10.683 -5.943 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.949 -11.280 -5.467 1.00 0.00 C ATOM 941 CG2 VAL A 61 0.228 -11.341 -7.269 1.00 0.00 C ATOM 0 H VAL A 61 -1.725 -9.198 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.374 -11.367 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 61 0.757 -9.608 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.719 -11.100 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.242 -10.812 -4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.833 -12.353 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.021 -11.187 -8.001 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.079 -12.410 -7.115 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.696 -10.895 -7.637 1.00 0.00 H new ATOM 951 N ASN A 62 -1.093 -12.678 -3.372 1.00 0.00 N ATOM 952 CA ASN A 62 -0.833 -13.679 -2.300 1.00 0.00 C ATOM 953 C ASN A 62 -1.318 -15.035 -2.798 1.00 0.00 C ATOM 954 O ASN A 62 -2.211 -15.639 -2.238 1.00 0.00 O ATOM 955 CB ASN A 62 -1.651 -13.223 -1.089 1.00 0.00 C ATOM 956 CG ASN A 62 -0.789 -12.339 -0.185 1.00 0.00 C ATOM 957 OD1 ASN A 62 -0.122 -12.828 0.705 1.00 0.00 O ATOM 958 ND2 ASN A 62 -0.776 -11.049 -0.374 1.00 0.00 N ATOM 0 H ASN A 62 -2.047 -12.672 -3.732 1.00 0.00 H new ATOM 0 HA ASN A 62 0.222 -13.761 -2.038 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.531 -12.672 -1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.008 -14.090 -0.532 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.206 -10.452 0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.336 -10.637 -1.121 1.00 0.00 H new ATOM 965 N LEU A 63 -0.746 -15.500 -3.870 1.00 0.00 N ATOM 966 CA LEU A 63 -1.176 -16.800 -4.443 1.00 0.00 C ATOM 967 C LEU A 63 0.044 -17.615 -4.859 1.00 0.00 C ATOM 968 O LEU A 63 1.172 -17.200 -4.678 1.00 0.00 O ATOM 969 CB LEU A 63 -2.005 -16.420 -5.673 1.00 0.00 C ATOM 970 CG LEU A 63 -3.472 -16.778 -5.440 1.00 0.00 C ATOM 971 CD1 LEU A 63 -3.984 -16.047 -4.196 1.00 0.00 C ATOM 972 CD2 LEU A 63 -4.302 -16.345 -6.652 1.00 0.00 C ATOM 0 H LEU A 63 0.006 -15.032 -4.376 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.740 -17.406 -3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.909 -15.353 -5.872 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.629 -16.943 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.563 -17.855 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.031 -16.302 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.395 -16.347 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.892 -14.971 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.349 -16.600 -6.486 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.209 -15.268 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.940 -16.858 -7.543 1.00 0.00 H new ATOM 984 N ASP A 64 -0.175 -18.767 -5.423 1.00 0.00 N ATOM 985 CA ASP A 64 0.967 -19.613 -5.864 1.00 0.00 C ATOM 986 C ASP A 64 2.096 -19.576 -4.832 1.00 0.00 C ATOM 987 O ASP A 64 3.252 -19.756 -5.161 1.00 0.00 O ATOM 988 CB ASP A 64 1.437 -18.987 -7.175 1.00 0.00 C ATOM 989 CG ASP A 64 0.385 -19.218 -8.259 1.00 0.00 C ATOM 990 OD1 ASP A 64 0.246 -20.350 -8.689 1.00 0.00 O ATOM 991 OD2 ASP A 64 -0.263 -18.258 -8.642 1.00 0.00 O ATOM 0 H ASP A 64 -1.099 -19.161 -5.599 1.00 0.00 H new ATOM 0 HA ASP A 64 0.677 -20.657 -5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.606 -17.919 -7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.388 -19.424 -7.478 1.00 0.00 H new ATOM 996 N GLY A 65 1.780 -19.344 -3.589 1.00 0.00 N ATOM 997 CA GLY A 65 2.853 -19.300 -2.556 1.00 0.00 C ATOM 998 C GLY A 65 2.692 -18.067 -1.667 1.00 0.00 C ATOM 999 O GLY A 65 3.566 -17.754 -0.883 1.00 0.00 O ATOM 0 H GLY A 65 0.833 -19.184 -3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.815 -20.203 -1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.830 -19.282 -3.039 1.00 0.00 H new ATOM 1003 N GLU A 66 1.585 -17.375 -1.783 1.00 0.00 N ATOM 1004 CA GLU A 66 1.339 -16.153 -0.952 1.00 0.00 C ATOM 1005 C GLU A 66 2.653 -15.488 -0.524 1.00 0.00 C ATOM 1006 O GLU A 66 3.017 -15.520 0.634 1.00 0.00 O ATOM 1007 CB GLU A 66 0.549 -16.643 0.271 1.00 0.00 C ATOM 1008 CG GLU A 66 1.437 -17.513 1.169 1.00 0.00 C ATOM 1009 CD GLU A 66 0.561 -18.459 1.990 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -0.522 -18.781 1.530 1.00 0.00 O ATOM 1011 OE2 GLU A 66 0.989 -18.847 3.065 1.00 0.00 O ATOM 0 H GLU A 66 0.830 -17.608 -2.428 1.00 0.00 H new ATOM 0 HA GLU A 66 0.792 -15.396 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.175 -15.789 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -0.320 -17.215 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.138 -18.085 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.031 -16.883 1.832 1.00 0.00 H new ATOM 1018 N PRO A 67 3.322 -14.902 -1.482 1.00 0.00 N ATOM 1019 CA PRO A 67 4.608 -14.219 -1.202 1.00 0.00 C ATOM 1020 C PRO A 67 4.357 -12.928 -0.421 1.00 0.00 C ATOM 1021 O PRO A 67 4.441 -11.840 -0.954 1.00 0.00 O ATOM 1022 CB PRO A 67 5.166 -13.919 -2.591 1.00 0.00 C ATOM 1023 CG PRO A 67 3.967 -13.875 -3.484 1.00 0.00 C ATOM 1024 CD PRO A 67 2.947 -14.817 -2.897 1.00 0.00 C ATOM 0 HA PRO A 67 5.292 -14.815 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.704 -12.971 -2.605 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.868 -14.689 -2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.568 -12.863 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 67 4.230 -14.175 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.933 -14.436 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 67 2.981 -15.794 -3.379 1.00 0.00 H new ATOM 1032 N SER A 68 4.042 -13.042 0.839 1.00 0.00 N ATOM 1033 CA SER A 68 3.777 -11.824 1.655 1.00 0.00 C ATOM 1034 C SER A 68 4.716 -11.773 2.861 1.00 0.00 C ATOM 1035 O SER A 68 4.630 -10.888 3.688 1.00 0.00 O ATOM 1036 CB SER A 68 2.326 -11.971 2.111 1.00 0.00 C ATOM 1037 OG SER A 68 2.030 -13.350 2.285 1.00 0.00 O ATOM 0 H SER A 68 3.956 -13.927 1.340 1.00 0.00 H new ATOM 0 HA SER A 68 3.942 -10.905 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.169 -11.432 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.654 -11.532 1.373 1.00 0.00 H new ATOM 0 HG SER A 68 1.942 -13.548 3.241 1.00 0.00 H new ATOM 1043 N TYR A 69 5.608 -12.721 2.957 1.00 0.00 N ATOM 1044 CA TYR A 69 6.561 -12.768 4.099 1.00 0.00 C ATOM 1045 C TYR A 69 5.778 -12.639 5.410 1.00 0.00 C ATOM 1046 O TYR A 69 4.599 -12.338 5.408 1.00 0.00 O ATOM 1047 CB TYR A 69 7.592 -11.618 3.929 1.00 0.00 C ATOM 1048 CG TYR A 69 7.301 -10.722 2.728 1.00 0.00 C ATOM 1049 CD1 TYR A 69 7.075 -11.265 1.454 1.00 0.00 C ATOM 1050 CD2 TYR A 69 7.267 -9.332 2.902 1.00 0.00 C ATOM 1051 CE1 TYR A 69 6.813 -10.419 0.369 1.00 0.00 C ATOM 1052 CE2 TYR A 69 7.008 -8.490 1.818 1.00 0.00 C ATOM 1053 CZ TYR A 69 6.779 -9.033 0.551 1.00 0.00 C ATOM 1054 OH TYR A 69 6.524 -8.201 -0.521 1.00 0.00 O ATOM 0 H TYR A 69 5.717 -13.476 2.280 1.00 0.00 H new ATOM 0 HA TYR A 69 7.101 -13.715 4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.601 -11.010 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.589 -12.045 3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.103 -12.335 1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.442 -8.909 3.880 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.637 -10.838 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.985 -7.420 1.959 1.00 0.00 H new ATOM 0 HH TYR A 69 6.535 -7.268 -0.221 1.00 0.00 H new ATOM 1064 N PRO A 70 6.445 -12.906 6.492 1.00 0.00 N ATOM 1065 CA PRO A 70 5.781 -12.847 7.813 1.00 0.00 C ATOM 1066 C PRO A 70 5.498 -11.404 8.228 1.00 0.00 C ATOM 1067 O PRO A 70 4.939 -11.157 9.274 1.00 0.00 O ATOM 1068 CB PRO A 70 6.788 -13.501 8.749 1.00 0.00 C ATOM 1069 CG PRO A 70 8.115 -13.326 8.079 1.00 0.00 C ATOM 1070 CD PRO A 70 7.859 -13.282 6.594 1.00 0.00 C ATOM 0 HA PRO A 70 4.811 -13.345 7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.777 -13.029 9.731 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.559 -14.556 8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.598 -12.408 8.414 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.785 -14.148 8.330 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.503 -12.555 6.099 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.051 -14.248 6.127 1.00 0.00 H new ATOM 1078 N VAL A 71 5.868 -10.444 7.429 1.00 0.00 N ATOM 1079 CA VAL A 71 5.592 -9.035 7.818 1.00 0.00 C ATOM 1080 C VAL A 71 4.286 -8.554 7.174 1.00 0.00 C ATOM 1081 O VAL A 71 3.412 -8.048 7.846 1.00 0.00 O ATOM 1082 CB VAL A 71 6.803 -8.225 7.355 1.00 0.00 C ATOM 1083 CG1 VAL A 71 8.079 -9.001 7.688 1.00 0.00 C ATOM 1084 CG2 VAL A 71 6.727 -7.998 5.853 1.00 0.00 C ATOM 0 H VAL A 71 6.343 -10.571 6.535 1.00 0.00 H new ATOM 0 HA VAL A 71 5.454 -8.922 8.893 1.00 0.00 H new ATOM 0 HB VAL A 71 6.812 -7.260 7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.948 -8.430 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.136 -9.163 8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.064 -9.963 7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.592 -7.420 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.719 -8.960 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.815 -7.451 5.613 1.00 0.00 H new ATOM 1094 N ALA A 72 4.124 -8.731 5.887 1.00 0.00 N ATOM 1095 CA ALA A 72 2.861 -8.309 5.243 1.00 0.00 C ATOM 1096 C ALA A 72 1.711 -9.008 5.945 1.00 0.00 C ATOM 1097 O ALA A 72 0.722 -8.402 6.307 1.00 0.00 O ATOM 1098 CB ALA A 72 2.977 -8.800 3.809 1.00 0.00 C ATOM 0 H ALA A 72 4.814 -9.149 5.263 1.00 0.00 H new ATOM 0 HA ALA A 72 2.687 -7.234 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.077 -8.528 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.845 -8.341 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.092 -9.884 3.804 1.00 0.00 H new ATOM 1104 N ASP A 73 1.851 -10.285 6.167 1.00 0.00 N ATOM 1105 CA ASP A 73 0.781 -11.021 6.876 1.00 0.00 C ATOM 1106 C ASP A 73 0.645 -10.440 8.278 1.00 0.00 C ATOM 1107 O ASP A 73 -0.422 -10.039 8.701 1.00 0.00 O ATOM 1108 CB ASP A 73 1.264 -12.463 6.937 1.00 0.00 C ATOM 1109 CG ASP A 73 0.744 -13.240 5.725 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.370 -13.734 5.797 1.00 0.00 O ATOM 1111 OD2 ASP A 73 1.468 -13.331 4.748 1.00 0.00 O ATOM 0 H ASP A 73 2.657 -10.844 5.888 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.190 -10.951 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.353 -12.490 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.917 -12.933 7.857 1.00 0.00 H new ATOM 1116 N ILE A 74 1.736 -10.363 8.989 1.00 0.00 N ATOM 1117 CA ILE A 74 1.690 -9.771 10.358 1.00 0.00 C ATOM 1118 C ILE A 74 1.017 -8.411 10.257 1.00 0.00 C ATOM 1119 O ILE A 74 0.166 -8.052 11.047 1.00 0.00 O ATOM 1120 CB ILE A 74 3.155 -9.608 10.788 1.00 0.00 C ATOM 1121 CG1 ILE A 74 3.641 -10.902 11.445 1.00 0.00 C ATOM 1122 CG2 ILE A 74 3.288 -8.457 11.795 1.00 0.00 C ATOM 1123 CD1 ILE A 74 5.116 -10.754 11.822 1.00 0.00 C ATOM 0 H ILE A 74 2.655 -10.683 8.684 1.00 0.00 H new ATOM 0 HA ILE A 74 1.140 -10.384 11.072 1.00 0.00 H new ATOM 0 HB ILE A 74 3.757 -9.387 9.907 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.047 -11.118 12.333 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.511 -11.741 10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.332 -8.352 12.092 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.947 -7.530 11.335 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.680 -8.671 12.674 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.466 -11.674 12.290 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.703 -10.558 10.925 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.232 -9.925 12.520 1.00 0.00 H new ATOM 1135 N LEU A 75 1.405 -7.657 9.271 1.00 0.00 N ATOM 1136 CA LEU A 75 0.813 -6.318 9.073 1.00 0.00 C ATOM 1137 C LEU A 75 -0.687 -6.466 8.797 1.00 0.00 C ATOM 1138 O LEU A 75 -1.438 -5.513 8.852 1.00 0.00 O ATOM 1139 CB LEU A 75 1.567 -5.753 7.866 1.00 0.00 C ATOM 1140 CG LEU A 75 1.620 -4.228 7.956 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.903 -3.806 8.673 1.00 0.00 C ATOM 1142 CD2 LEU A 75 1.610 -3.640 6.545 1.00 0.00 C ATOM 0 H LEU A 75 2.116 -7.919 8.588 1.00 0.00 H new ATOM 0 HA LEU A 75 0.902 -5.661 9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.578 -6.160 7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.072 -6.055 6.943 1.00 0.00 H new ATOM 0 HG LEU A 75 0.756 -3.863 8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.943 -2.719 8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.915 -4.230 9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.767 -4.168 8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.648 -2.552 6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.477 -4.004 5.993 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.698 -3.944 6.031 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.128 -7.667 8.520 1.00 0.00 N ATOM 1155 CA ALA A 76 -2.573 -7.897 8.264 1.00 0.00 C ATOM 1156 C ALA A 76 -3.290 -8.189 9.587 1.00 0.00 C ATOM 1157 O ALA A 76 -4.371 -7.707 9.837 1.00 0.00 O ATOM 1158 CB ALA A 76 -2.631 -9.110 7.333 1.00 0.00 C ATOM 0 H ALA A 76 -0.542 -8.500 8.461 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.061 -7.031 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.671 -9.340 7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.093 -8.888 6.412 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.171 -9.968 7.824 1.00 0.00 H new ATOM 1164 N GLU A 77 -2.692 -8.970 10.442 1.00 0.00 N ATOM 1165 CA GLU A 77 -3.343 -9.274 11.747 1.00 0.00 C ATOM 1166 C GLU A 77 -3.375 -8.012 12.615 1.00 0.00 C ATOM 1167 O GLU A 77 -4.137 -7.906 13.555 1.00 0.00 O ATOM 1168 CB GLU A 77 -2.464 -10.347 12.391 1.00 0.00 C ATOM 1169 CG GLU A 77 -1.083 -9.762 12.695 1.00 0.00 C ATOM 1170 CD GLU A 77 -0.491 -10.464 13.918 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -0.606 -11.676 13.993 1.00 0.00 O ATOM 1172 OE2 GLU A 77 0.066 -9.778 14.759 1.00 0.00 O ATOM 0 H GLU A 77 -1.784 -9.410 10.295 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.372 -9.613 11.631 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.927 -10.709 13.309 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.369 -11.203 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.425 -9.889 11.835 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.163 -8.691 12.880 1.00 0.00 H new ATOM 1179 N ARG A 78 -2.549 -7.053 12.294 1.00 0.00 N ATOM 1180 CA ARG A 78 -2.513 -5.788 13.075 1.00 0.00 C ATOM 1181 C ARG A 78 -2.605 -4.603 12.116 1.00 0.00 C ATOM 1182 O ARG A 78 -1.830 -3.669 12.179 1.00 0.00 O ATOM 1183 CB ARG A 78 -1.162 -5.798 13.792 1.00 0.00 C ATOM 1184 CG ARG A 78 -0.034 -5.860 12.758 1.00 0.00 C ATOM 1185 CD ARG A 78 1.041 -4.827 13.107 1.00 0.00 C ATOM 1186 NE ARG A 78 2.254 -5.268 12.365 1.00 0.00 N ATOM 1187 CZ ARG A 78 3.388 -4.646 12.541 1.00 0.00 C ATOM 1188 NH1 ARG A 78 3.408 -3.348 12.674 1.00 0.00 N ATOM 1189 NH2 ARG A 78 4.504 -5.322 12.585 1.00 0.00 N ATOM 0 H ARG A 78 -1.892 -7.095 11.515 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.338 -5.704 13.782 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.058 -4.903 14.406 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.101 -6.654 14.464 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.401 -6.859 12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.430 -5.665 11.761 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.737 -3.824 12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.225 -4.796 14.181 1.00 0.00 H new ATOM 0 HE ARG A 78 2.199 -6.056 11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.537 -2.818 12.640 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.295 -2.863 12.812 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.490 -6.337 12.482 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.390 -4.835 12.723 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.540 -4.655 11.214 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.697 -3.563 10.215 1.00 0.00 C ATOM 1205 C ASN A 79 -3.653 -2.173 10.861 1.00 0.00 C ATOM 1206 O ASN A 79 -4.606 -1.722 11.465 1.00 0.00 O ATOM 1207 CB ASN A 79 -5.065 -3.813 9.590 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.009 -5.080 8.738 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -5.839 -6.053 8.990 1.00 0.00 O flip ATOM 1210 ND2 ASN A 79 -4.195 -5.192 7.844 1.00 0.00 N flip ATOM 0 H ASN A 79 -4.212 -5.417 11.124 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.885 -3.572 9.488 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.820 -3.919 10.370 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.358 -2.961 8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.546 -4.430 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.161 -6.048 7.290 1.00 0.00 H new ATOM 1217 N VAL A 80 -2.562 -1.481 10.689 1.00 0.00 N ATOM 1218 CA VAL A 80 -2.435 -0.094 11.229 1.00 0.00 C ATOM 1219 C VAL A 80 -2.958 0.855 10.129 1.00 0.00 C ATOM 1220 O VAL A 80 -3.477 0.370 9.143 1.00 0.00 O ATOM 1221 CB VAL A 80 -0.918 0.027 11.508 1.00 0.00 C ATOM 1222 CG1 VAL A 80 -0.188 0.808 10.405 1.00 0.00 C ATOM 1223 CG2 VAL A 80 -0.690 0.702 12.865 1.00 0.00 C ATOM 0 H VAL A 80 -1.740 -1.821 10.190 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.997 0.144 12.132 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.505 -0.982 11.523 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.874 0.868 10.643 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.318 0.297 9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.602 1.814 10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.380 0.784 13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.134 1.697 12.856 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.153 0.105 13.651 1.00 0.00 H new ATOM 1233 N PRO A 81 -2.821 2.156 10.274 1.00 0.00 N ATOM 1234 CA PRO A 81 -3.317 3.045 9.198 1.00 0.00 C ATOM 1235 C PRO A 81 -2.568 2.684 7.922 1.00 0.00 C ATOM 1236 O PRO A 81 -1.355 2.665 7.892 1.00 0.00 O ATOM 1237 CB PRO A 81 -3.013 4.450 9.711 1.00 0.00 C ATOM 1238 CG PRO A 81 -1.922 4.251 10.710 1.00 0.00 C ATOM 1239 CD PRO A 81 -2.202 2.919 11.363 1.00 0.00 C ATOM 0 HA PRO A 81 -4.378 2.959 8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.696 5.109 8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.892 4.905 10.167 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.945 4.252 10.227 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.915 5.054 11.447 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.290 2.444 11.724 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.869 3.019 12.219 1.00 0.00 H new ATOM 1247 N PHE A 82 -3.286 2.337 6.890 1.00 0.00 N ATOM 1248 CA PHE A 82 -2.626 1.894 5.635 1.00 0.00 C ATOM 1249 C PHE A 82 -3.660 1.456 4.603 1.00 0.00 C ATOM 1250 O PHE A 82 -4.769 1.947 4.550 1.00 0.00 O ATOM 1251 CB PHE A 82 -1.800 0.665 6.054 1.00 0.00 C ATOM 1252 CG PHE A 82 -2.713 -0.545 6.237 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -4.047 -0.385 6.657 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.219 -1.831 5.990 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.874 -1.499 6.825 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.052 -2.947 6.161 1.00 0.00 C ATOM 1257 CZ PHE A 82 -4.377 -2.779 6.579 1.00 0.00 C ATOM 0 H PHE A 82 -4.306 2.342 6.864 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.033 2.692 5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.045 0.450 5.298 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.269 0.874 6.983 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.434 0.605 6.851 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.197 -1.964 5.668 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.897 -1.369 7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.670 -3.939 5.969 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.015 -3.640 6.711 1.00 0.00 H new ATOM 1267 N ILE A 83 -3.284 0.491 3.814 1.00 0.00 N ATOM 1268 CA ILE A 83 -4.186 -0.075 2.784 1.00 0.00 C ATOM 1269 C ILE A 83 -3.548 -1.365 2.278 1.00 0.00 C ATOM 1270 O ILE A 83 -2.350 -1.550 2.397 1.00 0.00 O ATOM 1271 CB ILE A 83 -4.258 0.984 1.687 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -5.586 1.743 1.784 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -4.147 0.341 0.295 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -6.748 0.756 1.689 1.00 0.00 C ATOM 0 H ILE A 83 -2.360 0.061 3.844 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.187 -0.310 3.147 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.424 1.672 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.636 2.290 2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.655 2.480 0.984 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.201 1.116 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.196 -0.185 0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.965 -0.365 0.154 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.692 1.297 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.701 0.229 0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.682 0.036 2.505 1.00 0.00 H new ATOM 1286 N PHE A 84 -4.323 -2.248 1.719 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.741 -3.519 1.216 1.00 0.00 C ATOM 1288 C PHE A 84 -4.623 -4.122 0.115 1.00 0.00 C ATOM 1289 O PHE A 84 -5.765 -3.726 -0.101 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.704 -4.420 2.448 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.522 -5.368 2.374 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.566 -6.488 1.531 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.385 -5.133 3.161 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.475 -7.368 1.475 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.297 -6.016 3.104 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.343 -7.131 2.261 1.00 0.00 C ATOM 0 H PHE A 84 -5.329 -2.146 1.589 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.756 -3.386 0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.634 -3.811 3.350 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.631 -4.989 2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.440 -6.673 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.347 -4.272 3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.509 -8.229 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.577 -5.835 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.496 -7.809 2.217 1.00 0.00 H new ATOM 1306 N ALA A 85 -4.108 -5.079 -0.595 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.924 -5.687 -1.670 1.00 0.00 C ATOM 1308 C ALA A 85 -4.203 -6.873 -2.313 1.00 0.00 C ATOM 1309 O ALA A 85 -3.064 -6.772 -2.712 1.00 0.00 O ATOM 1310 CB ALA A 85 -5.116 -4.563 -2.687 1.00 0.00 C ATOM 0 H ALA A 85 -3.170 -5.462 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.868 -6.078 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.713 -4.927 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.628 -3.726 -2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.144 -4.233 -3.052 1.00 0.00 H new ATOM 1316 N THR A 86 -4.869 -7.993 -2.429 1.00 0.00 N ATOM 1317 CA THR A 86 -4.224 -9.181 -3.058 1.00 0.00 C ATOM 1318 C THR A 86 -5.264 -10.274 -3.352 1.00 0.00 C ATOM 1319 O THR A 86 -6.363 -9.998 -3.790 1.00 0.00 O ATOM 1320 CB THR A 86 -3.209 -9.668 -2.028 1.00 0.00 C ATOM 1321 OG1 THR A 86 -2.649 -10.896 -2.467 1.00 0.00 O ATOM 1322 CG2 THR A 86 -3.908 -9.870 -0.682 1.00 0.00 C ATOM 0 H THR A 86 -5.829 -8.135 -2.116 1.00 0.00 H new ATOM 0 HA THR A 86 -3.757 -8.935 -4.011 1.00 0.00 H new ATOM 0 HB THR A 86 -2.416 -8.929 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.714 -10.955 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.184 -10.218 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.338 -8.925 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.700 -10.611 -0.791 1.00 0.00 H new ATOM 1330 N GLY A 87 -4.910 -11.513 -3.128 1.00 0.00 N ATOM 1331 CA GLY A 87 -5.851 -12.640 -3.404 1.00 0.00 C ATOM 1332 C GLY A 87 -7.247 -12.354 -2.837 1.00 0.00 C ATOM 1333 O GLY A 87 -8.241 -12.549 -3.508 1.00 0.00 O ATOM 0 H GLY A 87 -4.001 -11.795 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.920 -12.804 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.460 -13.558 -2.966 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.345 -11.910 -1.612 1.00 0.00 N ATOM 1338 CA TYR A 88 -8.693 -11.641 -1.035 1.00 0.00 C ATOM 1339 C TYR A 88 -8.971 -10.135 -1.016 1.00 0.00 C ATOM 1340 O TYR A 88 -10.099 -9.703 -1.144 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.646 -12.225 0.380 1.00 0.00 C ATOM 1342 CG TYR A 88 -7.439 -11.696 1.113 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -7.447 -10.392 1.605 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -6.315 -12.511 1.303 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -6.333 -9.892 2.288 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -5.199 -12.013 1.988 1.00 0.00 C ATOM 1347 CZ TYR A 88 -5.209 -10.703 2.480 1.00 0.00 C ATOM 1348 OH TYR A 88 -4.111 -10.211 3.155 1.00 0.00 O ATOM 0 H TYR A 88 -6.557 -11.724 -0.991 1.00 0.00 H new ATOM 0 HA TYR A 88 -9.496 -12.090 -1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.555 -11.963 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.606 -13.313 0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.315 -9.766 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.309 -13.522 0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.341 -8.881 2.667 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.332 -12.639 2.136 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.419 -10.903 3.202 1.00 0.00 H new ATOM 1358 N GLY A 89 -7.951 -9.331 -0.885 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.166 -7.856 -0.893 1.00 0.00 C ATOM 1360 C GLY A 89 -8.047 -7.275 0.515 1.00 0.00 C ATOM 1361 O GLY A 89 -7.210 -6.434 0.780 1.00 0.00 O ATOM 0 H GLY A 89 -6.982 -9.630 -0.773 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.435 -7.382 -1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.152 -7.631 -1.300 1.00 0.00 H new ATOM 1365 N SER A 90 -8.879 -7.704 1.416 1.00 0.00 N ATOM 1366 CA SER A 90 -8.814 -7.160 2.802 1.00 0.00 C ATOM 1367 C SER A 90 -9.907 -7.787 3.672 1.00 0.00 C ATOM 1368 O SER A 90 -11.031 -7.325 3.704 1.00 0.00 O ATOM 1369 CB SER A 90 -9.054 -5.657 2.650 1.00 0.00 C ATOM 1370 OG SER A 90 -7.850 -4.946 2.926 1.00 0.00 O ATOM 0 H SER A 90 -9.601 -8.406 1.257 1.00 0.00 H new ATOM 0 HA SER A 90 -7.860 -7.377 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.395 -5.434 1.639 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.842 -5.334 3.331 1.00 0.00 H new ATOM 0 HG SER A 90 -7.168 -5.189 2.265 1.00 0.00 H new ATOM 1376 N LYS A 91 -9.584 -8.831 4.380 1.00 0.00 N ATOM 1377 CA LYS A 91 -10.602 -9.485 5.254 1.00 0.00 C ATOM 1378 C LYS A 91 -11.398 -8.418 6.020 1.00 0.00 C ATOM 1379 O LYS A 91 -12.381 -7.896 5.533 1.00 0.00 O ATOM 1380 CB LYS A 91 -9.802 -10.372 6.221 1.00 0.00 C ATOM 1381 CG LYS A 91 -8.473 -9.697 6.588 1.00 0.00 C ATOM 1382 CD LYS A 91 -8.045 -10.127 7.991 1.00 0.00 C ATOM 1383 CE LYS A 91 -7.450 -8.927 8.733 1.00 0.00 C ATOM 1384 NZ LYS A 91 -8.109 -8.929 10.069 1.00 0.00 N ATOM 0 H LYS A 91 -8.660 -9.262 4.393 1.00 0.00 H new ATOM 0 HA LYS A 91 -11.323 -10.070 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.385 -10.556 7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.610 -11.342 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.705 -9.968 5.864 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.581 -8.613 6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.901 -10.519 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.311 -10.930 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.368 -9.019 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.645 -7.997 8.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.750 -8.133 10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.138 -8.833 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.900 -9.823 10.558 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.973 -8.080 7.206 1.00 0.00 N ATOM 1399 CA GLY A 92 -11.692 -7.040 7.997 1.00 0.00 C ATOM 1400 C GLY A 92 -10.675 -6.005 8.469 1.00 0.00 C ATOM 1401 O GLY A 92 -10.845 -5.364 9.488 1.00 0.00 O ATOM 0 H GLY A 92 -10.155 -8.481 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.462 -6.565 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.196 -7.494 8.851 1.00 0.00 H new ATOM 1405 N LEU A 93 -9.608 -5.852 7.737 1.00 0.00 N ATOM 1406 CA LEU A 93 -8.563 -4.875 8.138 1.00 0.00 C ATOM 1407 C LEU A 93 -9.190 -3.561 8.604 1.00 0.00 C ATOM 1408 O LEU A 93 -10.130 -3.058 8.024 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.672 -4.674 6.898 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.390 -3.883 5.786 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.793 -4.447 5.534 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.487 -2.400 6.168 1.00 0.00 C ATOM 0 H LEU A 93 -9.415 -6.364 6.876 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.977 -5.239 8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.763 -4.147 7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.367 -5.646 6.511 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.807 -3.980 4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.280 -3.873 4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.716 -5.490 5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -10.382 -4.379 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.996 -1.852 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.049 -2.299 7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.485 -1.993 6.305 1.00 0.00 H new ATOM 1424 N ASP A 94 -8.656 -2.999 9.648 1.00 0.00 N ATOM 1425 CA ASP A 94 -9.188 -1.708 10.163 1.00 0.00 C ATOM 1426 C ASP A 94 -8.178 -0.609 9.858 1.00 0.00 C ATOM 1427 O ASP A 94 -6.997 -0.867 9.725 1.00 0.00 O ATOM 1428 CB ASP A 94 -9.346 -1.912 11.670 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.996 -2.302 12.273 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -7.397 -3.242 11.775 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -7.583 -1.656 13.223 1.00 0.00 O ATOM 0 H ASP A 94 -7.868 -3.380 10.172 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.136 -1.419 9.709 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.714 -0.998 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.084 -2.690 11.868 1.00 0.00 H new ATOM 1436 N THR A 95 -8.616 0.605 9.722 1.00 0.00 N ATOM 1437 CA THR A 95 -7.649 1.687 9.398 1.00 0.00 C ATOM 1438 C THR A 95 -8.335 3.051 9.400 1.00 0.00 C ATOM 1439 O THR A 95 -9.542 3.153 9.295 1.00 0.00 O ATOM 1440 CB THR A 95 -7.162 1.338 7.988 1.00 0.00 C ATOM 1441 OG1 THR A 95 -6.504 2.450 7.410 1.00 0.00 O ATOM 1442 CG2 THR A 95 -8.354 0.943 7.114 1.00 0.00 C ATOM 0 H THR A 95 -9.589 0.896 9.819 1.00 0.00 H new ATOM 0 HA THR A 95 -6.839 1.751 10.124 1.00 0.00 H new ATOM 0 HB THR A 95 -6.464 0.504 8.053 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.338 2.274 6.460 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.004 0.695 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.853 0.077 7.549 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.056 1.775 7.058 1.00 0.00 H new ATOM 1450 N ARG A 96 -7.568 4.101 9.495 1.00 0.00 N ATOM 1451 CA ARG A 96 -8.165 5.465 9.475 1.00 0.00 C ATOM 1452 C ARG A 96 -8.605 5.805 8.049 1.00 0.00 C ATOM 1453 O ARG A 96 -9.108 6.877 7.780 1.00 0.00 O ATOM 1454 CB ARG A 96 -7.036 6.397 9.917 1.00 0.00 C ATOM 1455 CG ARG A 96 -6.474 5.925 11.260 1.00 0.00 C ATOM 1456 CD ARG A 96 -7.312 6.507 12.403 1.00 0.00 C ATOM 1457 NE ARG A 96 -7.232 7.983 12.225 1.00 0.00 N ATOM 1458 CZ ARG A 96 -6.126 8.614 12.511 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -5.183 8.713 11.616 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -5.964 9.144 13.693 1.00 0.00 N ATOM 0 H ARG A 96 -6.552 4.073 9.586 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.039 5.552 10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.246 6.410 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.408 7.418 10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.484 4.836 11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.435 6.239 11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.344 6.159 12.353 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.920 6.204 13.374 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.041 8.500 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.310 8.297 10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.318 9.206 11.839 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.702 9.065 14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.100 9.637 13.917 1.00 0.00 H new ATOM 1474 N TYR A 97 -8.402 4.898 7.130 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.787 5.162 5.720 1.00 0.00 C ATOM 1476 C TYR A 97 -10.295 4.988 5.519 1.00 0.00 C ATOM 1477 O TYR A 97 -10.843 5.467 4.553 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.992 4.133 4.918 1.00 0.00 C ATOM 1479 CG TYR A 97 -6.565 4.608 4.832 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.802 4.735 5.998 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -6.012 4.947 3.593 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -4.485 5.196 5.926 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.695 5.412 3.521 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.931 5.537 4.687 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.635 6.000 4.613 1.00 0.00 O ATOM 0 H TYR A 97 -7.984 3.983 7.300 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.570 6.184 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -8.040 3.156 5.399 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.416 4.018 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.232 4.476 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.601 4.850 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.895 5.289 6.826 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.267 5.675 2.565 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.045 5.404 5.120 1.00 0.00 H new ATOM 1495 N SER A 98 -10.961 4.317 6.433 1.00 0.00 N ATOM 1496 CA SER A 98 -12.446 4.102 6.326 1.00 0.00 C ATOM 1497 C SER A 98 -12.753 2.907 5.412 1.00 0.00 C ATOM 1498 O SER A 98 -13.736 2.890 4.697 1.00 0.00 O ATOM 1499 CB SER A 98 -13.031 5.397 5.757 1.00 0.00 C ATOM 1500 OG SER A 98 -12.262 6.501 6.217 1.00 0.00 O ATOM 0 H SER A 98 -10.533 3.903 7.261 1.00 0.00 H new ATOM 0 HA SER A 98 -12.885 3.874 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.026 5.364 4.668 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.070 5.508 6.068 1.00 0.00 H new ATOM 0 HG SER A 98 -11.616 6.760 5.527 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.924 1.899 5.467 1.00 0.00 N ATOM 1507 CA ASN A 99 -12.132 0.660 4.649 1.00 0.00 C ATOM 1508 C ASN A 99 -12.881 0.915 3.330 1.00 0.00 C ATOM 1509 O ASN A 99 -14.053 0.620 3.211 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.960 -0.245 5.558 1.00 0.00 C ATOM 1511 CG ASN A 99 -12.077 -0.801 6.682 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -10.828 -0.421 6.777 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -12.531 -1.586 7.489 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.092 1.879 6.057 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.177 0.232 4.345 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.794 0.315 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -13.387 -1.064 4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.504 -1.885 7.418 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.940 -1.947 8.238 1.00 0.00 H new ATOM 1520 N ILE A 100 -12.202 1.414 2.328 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.875 1.635 1.003 1.00 0.00 C ATOM 1522 C ILE A 100 -11.970 1.317 -0.218 1.00 0.00 C ATOM 1523 O ILE A 100 -12.489 0.869 -1.221 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.366 3.100 0.933 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.228 4.101 1.158 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.472 3.349 1.959 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -11.865 4.162 2.638 1.00 0.00 C ATOM 0 H ILE A 100 -11.217 1.678 2.365 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.711 0.938 0.944 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.758 3.253 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.356 3.808 0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.528 5.089 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.803 4.385 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -15.313 2.686 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -14.090 3.153 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.055 4.877 2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.736 4.477 3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.544 3.176 2.975 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.666 1.557 -0.155 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.809 1.281 -1.321 1.00 0.00 C ATOM 1541 C PRO A 101 -9.122 -0.075 -1.175 1.00 0.00 C ATOM 1542 O PRO A 101 -7.913 -0.172 -1.246 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.775 2.398 -1.242 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.727 2.806 0.208 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.842 2.086 0.931 1.00 0.00 C ATOM 0 HA PRO A 101 -10.357 1.249 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.799 2.053 -1.584 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.057 3.238 -1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.762 2.550 0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.844 3.885 0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.458 1.289 1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.408 2.763 1.571 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.863 -1.121 -0.956 1.00 0.00 N ATOM 1554 CA LEU A 102 -9.203 -2.446 -0.794 1.00 0.00 C ATOM 1555 C LEU A 102 -9.517 -3.356 -1.973 1.00 0.00 C ATOM 1556 O LEU A 102 -10.586 -3.293 -2.548 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.752 -3.060 0.509 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.109 -1.974 1.539 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.174 -2.510 2.498 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -8.863 -1.601 2.341 1.00 0.00 C ATOM 0 H LEU A 102 -10.880 -1.120 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.120 -2.331 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.637 -3.656 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.010 -3.736 0.934 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.489 -1.096 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.427 -1.741 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.066 -2.783 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.789 -3.388 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.117 -0.832 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.487 -2.483 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.096 -1.222 1.666 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.592 -4.209 -2.350 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.878 -5.112 -3.510 1.00 0.00 C ATOM 1574 C LEU A 103 -7.657 -5.947 -3.906 1.00 0.00 C ATOM 1575 O LEU A 103 -6.867 -6.341 -3.091 1.00 0.00 O ATOM 1576 CB LEU A 103 -9.236 -4.167 -4.648 1.00 0.00 C ATOM 1577 CG LEU A 103 -10.519 -4.631 -5.326 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -10.770 -3.725 -6.512 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -10.370 -6.070 -5.823 1.00 0.00 C ATOM 0 H LEU A 103 -7.675 -4.318 -1.917 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.667 -5.823 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.363 -3.155 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.423 -4.134 -5.373 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.346 -4.591 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.684 -4.034 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.875 -2.696 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.931 -3.792 -7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.295 -6.386 -6.305 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.551 -6.124 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.158 -6.726 -4.979 1.00 0.00 H new ATOM 1591 N THR A 104 -7.510 -6.221 -5.171 1.00 0.00 N ATOM 1592 CA THR A 104 -6.357 -7.019 -5.644 1.00 0.00 C ATOM 1593 C THR A 104 -5.572 -6.205 -6.679 1.00 0.00 C ATOM 1594 O THR A 104 -4.702 -5.427 -6.343 1.00 0.00 O ATOM 1595 CB THR A 104 -6.966 -8.287 -6.264 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.050 -8.837 -7.198 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.289 -7.966 -6.970 1.00 0.00 C ATOM 0 H THR A 104 -8.152 -5.919 -5.904 1.00 0.00 H new ATOM 0 HA THR A 104 -5.660 -7.277 -4.847 1.00 0.00 H new ATOM 0 HB THR A 104 -7.165 -9.006 -5.469 1.00 0.00 H new ATOM 0 HG1 THR A 104 -6.434 -9.647 -7.595 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.702 -8.878 -7.401 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.995 -7.553 -6.249 1.00 0.00 H new ATOM 0 HG23 THR A 104 -8.112 -7.238 -7.762 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.891 -6.364 -7.936 1.00 0.00 N ATOM 1606 CA LYS A 105 -5.187 -5.590 -8.996 1.00 0.00 C ATOM 1607 C LYS A 105 -5.941 -5.718 -10.322 1.00 0.00 C ATOM 1608 O LYS A 105 -5.383 -6.144 -11.313 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.796 -6.210 -9.106 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.765 -5.091 -9.262 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.875 -5.041 -8.019 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.537 -4.389 -8.372 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.415 -5.523 -8.532 1.00 0.00 N ATOM 0 H LYS A 105 -6.613 -7.000 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.130 -4.528 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.577 -6.803 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.751 -6.886 -9.960 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.158 -5.263 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.269 -4.134 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.369 -4.476 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.711 -6.048 -7.636 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.613 -3.805 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.211 -3.708 -7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.220 -5.221 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 0.759 -5.822 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.069 -6.320 -8.994 1.00 0.00 H new ATOM 1627 N PRO A 106 -7.190 -5.333 -10.293 1.00 0.00 N ATOM 1628 CA PRO A 106 -8.031 -5.394 -11.506 1.00 0.00 C ATOM 1629 C PRO A 106 -7.780 -4.141 -12.342 1.00 0.00 C ATOM 1630 O PRO A 106 -8.013 -4.109 -13.534 1.00 0.00 O ATOM 1631 CB PRO A 106 -9.450 -5.395 -10.955 1.00 0.00 C ATOM 1632 CG PRO A 106 -9.360 -4.723 -9.616 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.927 -4.808 -9.142 1.00 0.00 C ATOM 0 HA PRO A 106 -7.832 -6.256 -12.142 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.129 -4.859 -11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.833 -6.411 -10.859 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.675 -3.682 -9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -10.026 -5.207 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.550 -3.830 -8.842 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.833 -5.465 -8.277 1.00 0.00 H new ATOM 1641 N PHE A 107 -7.307 -3.109 -11.700 1.00 0.00 N ATOM 1642 CA PHE A 107 -7.022 -1.828 -12.408 1.00 0.00 C ATOM 1643 C PHE A 107 -8.307 -1.245 -13.000 1.00 0.00 C ATOM 1644 O PHE A 107 -8.394 -0.945 -14.173 1.00 0.00 O ATOM 1645 CB PHE A 107 -6.003 -2.180 -13.492 1.00 0.00 C ATOM 1646 CG PHE A 107 -4.618 -2.074 -12.901 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.991 -0.826 -12.811 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -3.968 -3.219 -12.425 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.715 -0.722 -12.246 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -2.689 -3.115 -11.862 1.00 0.00 C ATOM 1651 CZ PHE A 107 -2.064 -1.865 -11.772 1.00 0.00 C ATOM 0 H PHE A 107 -7.103 -3.098 -10.701 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.629 -1.064 -11.738 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.180 -3.189 -13.864 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.105 -1.504 -14.341 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.492 0.057 -13.178 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -4.452 -4.182 -12.492 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.233 0.242 -12.176 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.186 -3.998 -11.498 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.079 -1.784 -11.336 1.00 0.00 H new ATOM 1661 N LEU A 108 -9.295 -1.069 -12.168 1.00 0.00 N ATOM 1662 CA LEU A 108 -10.590 -0.488 -12.617 1.00 0.00 C ATOM 1663 C LEU A 108 -11.137 0.373 -11.481 1.00 0.00 C ATOM 1664 O LEU A 108 -11.143 1.585 -11.543 1.00 0.00 O ATOM 1665 CB LEU A 108 -11.498 -1.690 -12.882 1.00 0.00 C ATOM 1666 CG LEU A 108 -12.531 -1.315 -13.939 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -13.444 -0.219 -13.385 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -11.803 -0.800 -15.183 1.00 0.00 C ATOM 0 H LEU A 108 -9.258 -1.308 -11.177 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.506 0.136 -13.507 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.906 -2.540 -13.221 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.996 -1.995 -11.962 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.132 -2.186 -14.201 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.184 0.053 -14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.951 -0.585 -12.492 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.848 0.657 -13.130 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.533 -0.529 -15.946 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.210 0.076 -14.921 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.147 -1.580 -15.570 1.00 0.00 H new ATOM 1680 N ASP A 109 -11.542 -0.258 -10.421 1.00 0.00 N ATOM 1681 CA ASP A 109 -12.033 0.485 -9.234 1.00 0.00 C ATOM 1682 C ASP A 109 -10.981 0.334 -8.130 1.00 0.00 C ATOM 1683 O ASP A 109 -11.200 0.668 -6.983 1.00 0.00 O ATOM 1684 CB ASP A 109 -13.339 -0.207 -8.843 1.00 0.00 C ATOM 1685 CG ASP A 109 -14.440 0.176 -9.834 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -14.211 1.074 -10.626 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -15.494 -0.437 -9.783 1.00 0.00 O ATOM 0 H ASP A 109 -11.554 -1.273 -10.325 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.198 1.548 -9.412 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.202 -1.288 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.628 0.083 -7.833 1.00 0.00 H new ATOM 1692 N SER A 110 -9.843 -0.209 -8.490 1.00 0.00 N ATOM 1693 CA SER A 110 -8.751 -0.444 -7.509 1.00 0.00 C ATOM 1694 C SER A 110 -7.789 0.753 -7.440 1.00 0.00 C ATOM 1695 O SER A 110 -8.039 1.715 -6.742 1.00 0.00 O ATOM 1696 CB SER A 110 -8.044 -1.678 -8.067 1.00 0.00 C ATOM 1697 OG SER A 110 -6.908 -1.989 -7.266 1.00 0.00 O ATOM 0 H SER A 110 -9.627 -0.503 -9.442 1.00 0.00 H new ATOM 0 HA SER A 110 -9.118 -0.578 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.730 -2.525 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.735 -1.497 -9.097 1.00 0.00 H new ATOM 0 HG SER A 110 -6.223 -2.415 -7.822 1.00 0.00 H new ATOM 1703 N GLU A 111 -6.683 0.689 -8.149 1.00 0.00 N ATOM 1704 CA GLU A 111 -5.690 1.809 -8.124 1.00 0.00 C ATOM 1705 C GLU A 111 -6.393 3.165 -7.997 1.00 0.00 C ATOM 1706 O GLU A 111 -5.904 4.068 -7.348 1.00 0.00 O ATOM 1707 CB GLU A 111 -4.954 1.703 -9.462 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.217 3.013 -9.757 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.689 2.984 -11.192 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -4.003 2.041 -11.899 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -2.980 3.906 -11.561 1.00 0.00 O ATOM 0 H GLU A 111 -6.427 -0.097 -8.747 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.014 1.738 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.245 0.876 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.663 1.487 -10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.889 3.860 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.392 3.145 -9.057 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.539 3.313 -8.602 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.265 4.613 -8.497 1.00 0.00 C ATOM 1720 C LEU A 112 -8.702 4.824 -7.051 1.00 0.00 C ATOM 1721 O LEU A 112 -8.179 5.665 -6.349 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.488 4.495 -9.415 1.00 0.00 C ATOM 1723 CG LEU A 112 -9.113 3.765 -10.706 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -10.191 4.021 -11.762 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -7.768 4.282 -11.220 1.00 0.00 C ATOM 0 H LEU A 112 -8.003 2.597 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.641 5.458 -8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.285 3.956 -8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.873 5.488 -9.649 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.037 2.696 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.928 3.502 -12.684 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -11.150 3.652 -11.399 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -10.264 5.091 -11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.505 3.759 -12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.841 5.351 -11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.999 4.104 -10.469 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.646 4.049 -6.595 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.100 4.190 -5.189 1.00 0.00 C ATOM 1739 C GLU A 113 -8.892 4.177 -4.273 1.00 0.00 C ATOM 1740 O GLU A 113 -8.874 4.804 -3.236 1.00 0.00 O ATOM 1741 CB GLU A 113 -10.969 2.962 -4.931 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.212 3.062 -5.806 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.392 2.385 -5.107 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.203 1.300 -4.585 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -14.466 2.965 -5.106 1.00 0.00 O ATOM 0 H GLU A 113 -10.120 3.326 -7.136 1.00 0.00 H new ATOM 0 HA GLU A 113 -10.645 5.117 -5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.416 2.051 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.249 2.909 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.446 4.108 -6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.028 2.589 -6.771 1.00 0.00 H new ATOM 1752 N ALA A 114 -7.875 3.467 -4.653 1.00 0.00 N ATOM 1753 CA ALA A 114 -6.669 3.419 -3.794 1.00 0.00 C ATOM 1754 C ALA A 114 -6.186 4.837 -3.494 1.00 0.00 C ATOM 1755 O ALA A 114 -5.801 5.151 -2.385 1.00 0.00 O ATOM 1756 CB ALA A 114 -5.625 2.650 -4.607 1.00 0.00 C ATOM 0 H ALA A 114 -7.826 2.922 -5.514 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.862 2.939 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.701 2.574 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -5.999 1.650 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.430 3.178 -5.541 1.00 0.00 H new ATOM 1762 N VAL A 115 -6.193 5.693 -4.475 1.00 0.00 N ATOM 1763 CA VAL A 115 -5.719 7.090 -4.238 1.00 0.00 C ATOM 1764 C VAL A 115 -6.875 8.101 -4.265 1.00 0.00 C ATOM 1765 O VAL A 115 -6.776 9.177 -3.709 1.00 0.00 O ATOM 1766 CB VAL A 115 -4.738 7.370 -5.376 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -4.195 8.794 -5.244 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -3.576 6.376 -5.306 1.00 0.00 C ATOM 0 H VAL A 115 -6.503 5.492 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.262 7.190 -3.254 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.252 7.263 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.495 8.993 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -5.020 9.504 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.682 8.901 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.877 6.576 -6.118 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.063 6.483 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -3.960 5.360 -5.400 1.00 0.00 H new ATOM 1778 N LEU A 116 -7.947 7.793 -4.943 1.00 0.00 N ATOM 1779 CA LEU A 116 -9.072 8.775 -5.042 1.00 0.00 C ATOM 1780 C LEU A 116 -10.158 8.554 -3.988 1.00 0.00 C ATOM 1781 O LEU A 116 -10.693 9.498 -3.443 1.00 0.00 O ATOM 1782 CB LEU A 116 -9.654 8.548 -6.432 1.00 0.00 C ATOM 1783 CG LEU A 116 -9.114 9.605 -7.386 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -9.387 10.999 -6.814 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -7.607 9.406 -7.556 1.00 0.00 C ATOM 0 H LEU A 116 -8.095 6.910 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.709 9.789 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -9.392 7.552 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -10.742 8.598 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 116 -9.607 9.511 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.000 11.755 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -10.461 11.137 -6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.894 11.098 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.215 10.160 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.116 9.502 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -7.415 8.413 -7.963 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.510 7.328 -3.729 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.594 7.046 -2.735 1.00 0.00 C ATOM 1799 C VAL A 117 -11.536 8.044 -1.576 1.00 0.00 C ATOM 1800 O VAL A 117 -12.546 8.538 -1.116 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.332 5.625 -2.240 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -10.188 5.639 -1.228 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.596 5.078 -1.579 1.00 0.00 C ATOM 0 H VAL A 117 -10.096 6.502 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.585 7.142 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.059 4.990 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.002 4.625 -0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.288 6.029 -1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -10.457 6.273 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.412 4.064 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -12.870 5.713 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.410 5.067 -2.304 1.00 0.00 H new ATOM 1813 N GLN A 118 -10.358 8.349 -1.109 1.00 0.00 N ATOM 1814 CA GLN A 118 -10.227 9.319 0.009 1.00 0.00 C ATOM 1815 C GLN A 118 -11.167 10.500 -0.206 1.00 0.00 C ATOM 1816 O GLN A 118 -12.116 10.693 0.526 1.00 0.00 O ATOM 1817 CB GLN A 118 -8.778 9.782 -0.053 1.00 0.00 C ATOM 1818 CG GLN A 118 -8.088 9.436 1.259 1.00 0.00 C ATOM 1819 CD GLN A 118 -8.900 10.003 2.424 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -9.798 9.253 3.001 1.00 0.00 O flip ATOM 1821 NE2 GLN A 118 -8.717 11.140 2.812 1.00 0.00 N flip ATOM 0 H GLN A 118 -9.478 7.966 -1.456 1.00 0.00 H new ATOM 0 HA GLN A 118 -10.482 8.879 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -8.265 9.301 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -8.734 10.857 -0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -7.994 8.355 1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.078 9.846 1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.015 11.726 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.266 11.508 3.589 1.00 0.00 H new ATOM 1830 N ILE A 119 -10.919 11.284 -1.215 1.00 0.00 N ATOM 1831 CA ILE A 119 -11.814 12.441 -1.479 1.00 0.00 C ATOM 1832 C ILE A 119 -13.060 11.949 -2.212 1.00 0.00 C ATOM 1833 O ILE A 119 -14.036 12.657 -2.352 1.00 0.00 O ATOM 1834 CB ILE A 119 -11.003 13.405 -2.352 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -10.966 12.895 -3.795 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -9.575 13.504 -1.812 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -12.262 13.288 -4.510 1.00 0.00 C ATOM 0 H ILE A 119 -10.140 11.175 -1.865 1.00 0.00 H new ATOM 0 HA ILE A 119 -12.144 12.935 -0.565 1.00 0.00 H new ATOM 0 HB ILE A 119 -11.473 14.388 -2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -10.108 13.316 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -10.846 11.812 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.998 14.189 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -9.598 13.875 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -9.110 12.518 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.235 12.925 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.112 12.846 -3.991 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.362 14.373 -4.511 1.00 0.00 H new ATOM 1849 N SER A 120 -13.030 10.729 -2.678 1.00 0.00 N ATOM 1850 CA SER A 120 -14.213 10.178 -3.399 1.00 0.00 C ATOM 1851 C SER A 120 -15.157 9.517 -2.401 1.00 0.00 C ATOM 1852 O SER A 120 -15.084 8.331 -2.153 1.00 0.00 O ATOM 1853 CB SER A 120 -13.648 9.144 -4.370 1.00 0.00 C ATOM 1854 OG SER A 120 -13.527 9.729 -5.659 1.00 0.00 O ATOM 0 H SER A 120 -12.239 10.091 -2.591 1.00 0.00 H new ATOM 0 HA SER A 120 -14.779 10.949 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 120 -12.675 8.796 -4.023 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.302 8.273 -4.413 1.00 0.00 H new ATOM 0 HG SER A 120 -13.163 9.069 -6.285 1.00 0.00 H new ATOM 1860 N LYS A 121 -16.035 10.279 -1.816 1.00 0.00 N ATOM 1861 CA LYS A 121 -16.974 9.696 -0.821 1.00 0.00 C ATOM 1862 C LYS A 121 -18.420 9.837 -1.299 1.00 0.00 C ATOM 1863 O LYS A 121 -19.087 10.803 -0.991 1.00 0.00 O ATOM 1864 CB LYS A 121 -16.746 10.515 0.448 1.00 0.00 C ATOM 1865 CG LYS A 121 -17.054 9.654 1.674 1.00 0.00 C ATOM 1866 CD LYS A 121 -15.974 8.585 1.835 1.00 0.00 C ATOM 1867 CE LYS A 121 -14.659 9.246 2.252 1.00 0.00 C ATOM 1868 NZ LYS A 121 -13.647 8.724 1.293 1.00 0.00 N ATOM 0 H LYS A 121 -16.143 11.279 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 121 -16.802 8.631 -0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -15.715 10.866 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -17.383 11.399 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -17.098 10.278 2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -18.031 9.184 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -16.279 7.854 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -15.840 8.044 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -14.729 10.333 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -14.398 8.992 3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -12.788 9.308 1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -13.412 7.741 1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -14.033 8.758 0.328 1.00 0.00 H new ATOM 1882 N GLU A 122 -18.900 8.879 -2.053 1.00 0.00 N ATOM 1883 CA GLU A 122 -20.303 8.939 -2.567 1.00 0.00 C ATOM 1884 C GLU A 122 -20.640 10.373 -2.947 1.00 0.00 C ATOM 1885 O GLU A 122 -21.756 10.824 -2.786 1.00 0.00 O ATOM 1886 CB GLU A 122 -21.199 8.441 -1.424 1.00 0.00 C ATOM 1887 CG GLU A 122 -20.914 9.223 -0.138 1.00 0.00 C ATOM 1888 CD GLU A 122 -21.937 8.836 0.932 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -21.958 7.676 1.311 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -22.681 9.705 1.354 1.00 0.00 O ATOM 0 H GLU A 122 -18.375 8.051 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 122 -20.444 8.325 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -22.247 8.554 -1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -21.027 7.378 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -19.905 9.009 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -20.963 10.294 -0.333 1.00 0.00 H new ATOM 1897 N VAL A 123 -19.653 11.076 -3.443 1.00 0.00 N ATOM 1898 CA VAL A 123 -19.823 12.503 -3.854 1.00 0.00 C ATOM 1899 C VAL A 123 -21.012 13.158 -3.142 1.00 0.00 C ATOM 1900 O VAL A 123 -20.988 13.217 -1.924 1.00 0.00 O ATOM 1901 CB VAL A 123 -20.046 12.468 -5.368 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -18.916 11.678 -6.030 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -21.388 11.799 -5.681 1.00 0.00 C ATOM 0 H VAL A 123 -18.712 10.710 -3.584 1.00 0.00 H new ATOM 0 HA VAL A 123 -18.950 13.098 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 123 -20.055 13.487 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -19.073 11.652 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -17.961 12.158 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -18.907 10.660 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -21.541 11.777 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -21.386 10.780 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -22.194 12.363 -5.212 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 2.857 -9.582 -8.663 1.00 0.00 CA HETATM 1915 BE BEF A 202 0.097 -7.931 -7.872 1.00 0.00 BE HETATM 1916 F1 BEF A 202 1.281 -9.250 -7.949 1.00 0.00 F HETATM 1917 F2 BEF A 202 1.384 -7.445 -8.407 1.00 0.00 F HETATM 1918 F3 BEF A 202 -0.475 -8.863 -8.678 1.00 0.00 F