USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=25 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 3 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-3.2!) USER MOD Set 1.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.147 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 154:sc= -0.695 (180deg=-2.89!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -118:sc= -2.07! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -5.15! C(o=-5.1!,f=-6.7!) USER MOD Single : A 38 THR OG1 : rot -98:sc= -6.99! USER MOD Single : A 40 SER OG : rot 17:sc= 0.184! USER MOD Single : A 42 MET CE :methyl -131:sc= -0.0175 (180deg=-0.284) 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 :FLIP amide:sc= -1.37 F(o=-2.3!,f=-1.4) USER MOD Single : A 62 ASN : amide:sc= -4.2! C(o=-4.2!,f=-6.2!) USER MOD Single : A 68 SER OG : rot -76:sc= -0.457 USER MOD Single : A 69 TYR OH : rot 61:sc= -1.81! USER MOD Single : A 79 ASN : amide:sc= -7.73! C(o=-7.7!,f=-10!) USER MOD Single : A 86 THR OG1 : rot -120:sc= -3.44! USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0493 USER MOD Single : A 90 SER OG : rot 37:sc= -2.11 USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -0.0356 (180deg=-1.31!) USER MOD Single : A 95 THR OG1 : rot -171:sc= -2.29! USER MOD Single : A 97 TYR OH : rot 54:sc= 0.964 USER MOD Single : A 98 SER OG : rot -160:sc= -0.071 USER MOD Single : A 99 ASN :FLIP amide:sc= -4.22! C(o=-8.6!,f=-4.2!) USER MOD Single : A 104 THR OG1 : rot -43:sc= 0.327 USER MOD Single : A 105 LYS NZ :NH3+ -134:sc= -2.27! (180deg=-3.36!) USER MOD Single : A 110 SER OG : rot 70:sc= -4.83! USER MOD Single : A 118 GLN :FLIP amide:sc= -0.54 F(o=-1.4,f=-0.54) USER MOD Single : A 120 SER OG : rot 180:sc= -5.57! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.340 17.969 18.015 1.00 0.00 N ATOM 2 CA GLY A 1 -1.704 17.557 17.580 1.00 0.00 C ATOM 3 C GLY A 1 -1.837 16.037 17.692 1.00 0.00 C ATOM 4 O GLY A 1 -2.529 15.526 18.549 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.249 19.002 17.939 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.188 17.680 19.002 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.371 17.513 17.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.458 18.045 18.198 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.881 17.874 16.552 1.00 0.00 H new ATOM 10 N SER A 2 -1.177 15.309 16.832 1.00 0.00 N ATOM 11 CA SER A 2 -1.263 13.822 16.890 1.00 0.00 C ATOM 12 C SER A 2 0.051 13.201 16.407 1.00 0.00 C ATOM 13 O SER A 2 0.878 12.783 17.194 1.00 0.00 O ATOM 14 CB SER A 2 -2.411 13.454 15.951 1.00 0.00 C ATOM 15 OG SER A 2 -3.617 14.029 16.436 1.00 0.00 O ATOM 0 H SER A 2 -0.582 15.680 16.092 1.00 0.00 H new ATOM 0 HA SER A 2 -1.435 13.455 17.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.202 13.814 14.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.511 12.370 15.887 1.00 0.00 H new ATOM 0 HG SER A 2 -4.355 13.796 15.835 1.00 0.00 H new ATOM 21 N HIS A 3 0.252 13.141 15.120 1.00 0.00 N ATOM 22 CA HIS A 3 1.514 12.551 14.589 1.00 0.00 C ATOM 23 C HIS A 3 2.582 13.637 14.440 1.00 0.00 C ATOM 24 O HIS A 3 2.360 14.657 13.816 1.00 0.00 O ATOM 25 CB HIS A 3 1.140 11.977 13.224 1.00 0.00 C ATOM 26 CG HIS A 3 0.619 13.079 12.345 1.00 0.00 C ATOM 27 ND1 HIS A 3 1.457 13.861 11.566 1.00 0.00 N ATOM 28 CD2 HIS A 3 -0.650 13.544 12.115 1.00 0.00 C ATOM 29 CE1 HIS A 3 0.688 14.748 10.909 1.00 0.00 C ATOM 30 NE2 HIS A 3 -0.606 14.599 11.207 1.00 0.00 N ATOM 0 H HIS A 3 -0.403 13.475 14.412 1.00 0.00 H new ATOM 0 HA HIS A 3 1.925 11.789 15.252 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.010 11.510 12.763 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.384 11.200 13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.548 13.152 12.569 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.070 15.490 10.224 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.392 15.141 10.847 1.00 0.00 H new ATOM 38 N MET A 4 3.737 13.429 15.007 1.00 0.00 N ATOM 39 CA MET A 4 4.814 14.454 14.896 1.00 0.00 C ATOM 40 C MET A 4 5.746 14.120 13.729 1.00 0.00 C ATOM 41 O MET A 4 6.953 14.184 13.850 1.00 0.00 O ATOM 42 CB MET A 4 5.565 14.386 16.226 1.00 0.00 C ATOM 43 CG MET A 4 6.387 13.096 16.292 1.00 0.00 C ATOM 44 SD MET A 4 8.149 13.504 16.368 1.00 0.00 S ATOM 45 CE MET A 4 8.400 13.109 18.116 1.00 0.00 C ATOM 0 H MET A 4 3.983 12.596 15.542 1.00 0.00 H new ATOM 0 HA MET A 4 4.417 15.451 14.705 1.00 0.00 H new ATOM 0 HB2 MET A 4 6.220 15.251 16.329 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.858 14.421 17.055 1.00 0.00 H new ATOM 0 HG2 MET A 4 6.100 12.514 17.168 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.184 12.478 15.418 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.441 13.292 18.385 1.00 0.00 H new ATOM 0 HE2 MET A 4 7.752 13.737 18.728 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.159 12.060 18.290 1.00 0.00 H new ATOM 55 N THR A 5 5.195 13.772 12.596 1.00 0.00 N ATOM 56 CA THR A 5 6.049 13.441 11.420 1.00 0.00 C ATOM 57 C THR A 5 5.810 14.457 10.302 1.00 0.00 C ATOM 58 O THR A 5 4.827 15.173 10.304 1.00 0.00 O ATOM 59 CB THR A 5 5.603 12.046 10.979 1.00 0.00 C ATOM 60 OG1 THR A 5 4.267 12.106 10.501 1.00 0.00 O ATOM 61 CG2 THR A 5 5.681 11.084 12.165 1.00 0.00 C ATOM 0 H THR A 5 4.190 13.703 12.435 1.00 0.00 H new ATOM 0 HA THR A 5 7.112 13.468 11.660 1.00 0.00 H new ATOM 0 HB THR A 5 6.257 11.690 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.981 11.213 10.217 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.363 10.090 11.849 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.707 11.038 12.529 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.028 11.437 12.963 1.00 0.00 H new ATOM 69 N GLU A 6 6.694 14.531 9.346 1.00 0.00 N ATOM 70 CA GLU A 6 6.501 15.508 8.238 1.00 0.00 C ATOM 71 C GLU A 6 7.268 15.067 6.987 1.00 0.00 C ATOM 72 O GLU A 6 7.892 15.867 6.319 1.00 0.00 O ATOM 73 CB GLU A 6 7.063 16.826 8.772 1.00 0.00 C ATOM 74 CG GLU A 6 8.581 16.709 8.929 1.00 0.00 C ATOM 75 CD GLU A 6 8.997 17.247 10.299 1.00 0.00 C ATOM 76 OE1 GLU A 6 8.340 18.155 10.782 1.00 0.00 O ATOM 77 OE2 GLU A 6 9.967 16.743 10.842 1.00 0.00 O ATOM 0 H GLU A 6 7.537 13.961 9.284 1.00 0.00 H new ATOM 0 HA GLU A 6 5.454 15.594 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.819 17.640 8.090 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.605 17.066 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.888 15.668 8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.083 17.268 8.139 1.00 0.00 H new ATOM 84 N ARG A 7 7.226 13.805 6.661 1.00 0.00 N ATOM 85 CA ARG A 7 7.954 13.329 5.448 1.00 0.00 C ATOM 86 C ARG A 7 7.744 11.825 5.243 1.00 0.00 C ATOM 87 O ARG A 7 8.581 11.145 4.684 1.00 0.00 O ATOM 88 CB ARG A 7 9.427 13.629 5.724 1.00 0.00 C ATOM 89 CG ARG A 7 9.825 13.045 7.082 1.00 0.00 C ATOM 90 CD ARG A 7 10.601 11.744 6.870 1.00 0.00 C ATOM 91 NE ARG A 7 11.697 12.101 5.926 1.00 0.00 N ATOM 92 CZ ARG A 7 12.422 11.160 5.384 1.00 0.00 C ATOM 93 NH1 ARG A 7 12.632 10.047 6.029 1.00 0.00 N ATOM 94 NH2 ARG A 7 12.940 11.333 4.199 1.00 0.00 N ATOM 0 H ARG A 7 6.722 13.085 7.178 1.00 0.00 H new ATOM 0 HA ARG A 7 7.597 13.820 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.049 13.202 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.597 14.706 5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.437 13.760 7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.936 12.857 7.684 1.00 0.00 H new ATOM 0 HD2 ARG A 7 10.998 11.363 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 7 9.961 10.965 6.456 1.00 0.00 H new ATOM 0 HE ARG A 7 11.881 13.079 5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.230 9.911 6.957 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.198 9.312 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.779 12.205 3.694 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.506 10.597 3.777 1.00 0.00 H new ATOM 108 N ARG A 8 6.635 11.301 5.685 1.00 0.00 N ATOM 109 CA ARG A 8 6.378 9.843 5.506 1.00 0.00 C ATOM 110 C ARG A 8 5.472 9.613 4.293 1.00 0.00 C ATOM 111 O ARG A 8 5.099 8.500 3.991 1.00 0.00 O ATOM 112 CB ARG A 8 5.664 9.400 6.787 1.00 0.00 C ATOM 113 CG ARG A 8 6.368 9.991 8.011 1.00 0.00 C ATOM 114 CD ARG A 8 7.711 9.288 8.221 1.00 0.00 C ATOM 115 NE ARG A 8 8.559 10.286 8.932 1.00 0.00 N ATOM 116 CZ ARG A 8 9.120 9.976 10.070 1.00 0.00 C ATOM 117 NH1 ARG A 8 8.403 9.466 11.033 1.00 0.00 N ATOM 118 NH2 ARG A 8 10.397 10.178 10.243 1.00 0.00 N ATOM 0 H ARG A 8 5.896 11.818 6.162 1.00 0.00 H new ATOM 0 HA ARG A 8 7.298 9.284 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.624 9.724 6.764 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.657 8.312 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.524 11.061 7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.742 9.873 8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.593 8.379 8.810 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.157 8.996 7.270 1.00 0.00 H new ATOM 0 HE ARG A 8 8.701 11.212 8.529 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.404 9.309 10.897 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.841 9.224 11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.957 10.578 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.836 9.936 11.131 1.00 0.00 H new ATOM 132 N LEU A 9 5.104 10.662 3.608 1.00 0.00 N ATOM 133 CA LEU A 9 4.197 10.522 2.429 1.00 0.00 C ATOM 134 C LEU A 9 4.782 9.591 1.363 1.00 0.00 C ATOM 135 O LEU A 9 5.389 10.031 0.395 1.00 0.00 O ATOM 136 CB LEU A 9 4.070 11.941 1.878 1.00 0.00 C ATOM 137 CG LEU A 9 2.832 12.610 2.474 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.574 12.012 1.841 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.803 12.376 3.988 1.00 0.00 C ATOM 0 H LEU A 9 5.394 11.618 3.815 1.00 0.00 H new ATOM 0 HA LEU A 9 3.240 10.084 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.962 12.519 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.995 11.915 0.791 1.00 0.00 H new ATOM 0 HG LEU A 9 2.866 13.681 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.691 12.489 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.594 12.179 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.540 10.941 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.920 12.853 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.770 11.305 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.699 12.803 4.439 1.00 0.00 H new ATOM 151 N ARG A 10 4.592 8.306 1.513 1.00 0.00 N ATOM 152 CA ARG A 10 5.124 7.374 0.485 1.00 0.00 C ATOM 153 C ARG A 10 4.382 6.037 0.493 1.00 0.00 C ATOM 154 O ARG A 10 3.735 5.668 1.449 1.00 0.00 O ATOM 155 CB ARG A 10 6.601 7.203 0.833 1.00 0.00 C ATOM 156 CG ARG A 10 7.392 6.792 -0.414 1.00 0.00 C ATOM 157 CD ARG A 10 7.005 7.671 -1.615 1.00 0.00 C ATOM 158 NE ARG A 10 6.619 6.698 -2.673 1.00 0.00 N ATOM 159 CZ ARG A 10 6.146 7.117 -3.814 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.959 7.553 -4.736 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.859 7.096 -4.034 1.00 0.00 N ATOM 0 H ARG A 10 4.099 7.870 2.292 1.00 0.00 H new ATOM 0 HA ARG A 10 4.989 7.766 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.998 8.135 1.234 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.714 6.447 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.461 6.883 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.198 5.745 -0.646 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.180 8.340 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.838 8.297 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 10 6.725 5.698 -2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.964 7.566 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.589 7.881 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.224 6.752 -3.314 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.489 7.424 -4.926 1.00 0.00 H new ATOM 175 N VAL A 11 4.454 5.316 -0.589 1.00 0.00 N ATOM 176 CA VAL A 11 3.730 4.020 -0.659 1.00 0.00 C ATOM 177 C VAL A 11 4.640 2.895 -1.163 1.00 0.00 C ATOM 178 O VAL A 11 4.956 2.812 -2.334 1.00 0.00 O ATOM 179 CB VAL A 11 2.606 4.282 -1.659 1.00 0.00 C ATOM 180 CG1 VAL A 11 1.818 5.518 -1.218 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.210 4.536 -3.043 1.00 0.00 C ATOM 0 H VAL A 11 4.981 5.567 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 11 3.370 3.697 0.318 1.00 0.00 H new ATOM 0 HB VAL A 11 1.943 3.418 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.014 5.710 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.394 5.345 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.484 6.380 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.411 4.723 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.869 5.403 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.781 3.662 -3.357 1.00 0.00 H new ATOM 191 N LEU A 12 5.045 2.008 -0.294 1.00 0.00 N ATOM 192 CA LEU A 12 5.900 0.878 -0.742 1.00 0.00 C ATOM 193 C LEU A 12 4.991 -0.270 -1.190 1.00 0.00 C ATOM 194 O LEU A 12 4.466 -1.008 -0.379 1.00 0.00 O ATOM 195 CB LEU A 12 6.722 0.487 0.488 1.00 0.00 C ATOM 196 CG LEU A 12 7.410 1.732 1.052 1.00 0.00 C ATOM 197 CD1 LEU A 12 7.886 1.462 2.481 1.00 0.00 C ATOM 198 CD2 LEU A 12 8.611 2.085 0.176 1.00 0.00 C ATOM 0 H LEU A 12 4.821 2.019 0.701 1.00 0.00 H new ATOM 0 HA LEU A 12 6.551 1.130 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.077 0.040 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.466 -0.263 0.219 1.00 0.00 H new ATOM 0 HG LEU A 12 6.703 2.561 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.375 2.353 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.031 1.209 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.592 0.632 2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.104 2.972 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.314 1.252 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.273 2.284 -0.841 1.00 0.00 H new ATOM 210 N VAL A 13 4.786 -0.422 -2.472 1.00 0.00 N ATOM 211 CA VAL A 13 3.894 -1.514 -2.956 1.00 0.00 C ATOM 212 C VAL A 13 4.739 -2.641 -3.525 1.00 0.00 C ATOM 213 O VAL A 13 5.773 -2.408 -4.117 1.00 0.00 O ATOM 214 CB VAL A 13 3.032 -0.870 -4.039 1.00 0.00 C ATOM 215 CG1 VAL A 13 2.002 -1.881 -4.547 1.00 0.00 C ATOM 216 CG2 VAL A 13 2.308 0.340 -3.447 1.00 0.00 C ATOM 0 H VAL A 13 5.196 0.161 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 13 3.279 -1.944 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 13 3.664 -0.554 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.388 -1.418 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.517 -2.747 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.366 -2.199 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.690 0.806 -4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.677 0.017 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.041 1.061 -3.084 1.00 0.00 H new ATOM 226 N VAL A 14 4.335 -3.865 -3.335 1.00 0.00 N ATOM 227 CA VAL A 14 5.166 -4.973 -3.855 1.00 0.00 C ATOM 228 C VAL A 14 4.322 -6.196 -4.255 1.00 0.00 C ATOM 229 O VAL A 14 3.386 -6.590 -3.575 1.00 0.00 O ATOM 230 CB VAL A 14 6.104 -5.318 -2.694 1.00 0.00 C ATOM 231 CG1 VAL A 14 6.660 -4.041 -2.061 1.00 0.00 C ATOM 232 CG2 VAL A 14 5.346 -6.122 -1.640 1.00 0.00 C ATOM 0 H VAL A 14 3.480 -4.139 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 14 5.697 -4.684 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 14 6.933 -5.911 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.325 -4.303 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.215 -3.476 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.837 -3.434 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.017 -6.365 -0.816 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.509 -5.533 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.970 -7.043 -2.086 1.00 0.00 H new ATOM 242 N GLU A 15 4.691 -6.804 -5.356 1.00 0.00 N ATOM 243 CA GLU A 15 3.993 -8.031 -5.854 1.00 0.00 C ATOM 244 C GLU A 15 4.993 -8.866 -6.674 1.00 0.00 C ATOM 245 O GLU A 15 5.936 -8.352 -7.224 1.00 0.00 O ATOM 246 CB GLU A 15 2.818 -7.536 -6.722 1.00 0.00 C ATOM 247 CG GLU A 15 3.163 -7.625 -8.219 1.00 0.00 C ATOM 248 CD GLU A 15 1.903 -7.389 -9.052 1.00 0.00 C ATOM 249 OE1 GLU A 15 1.433 -6.269 -9.071 1.00 0.00 O ATOM 250 OE2 GLU A 15 1.432 -8.336 -9.659 1.00 0.00 O ATOM 0 H GLU A 15 5.465 -6.494 -5.944 1.00 0.00 H new ATOM 0 HA GLU A 15 3.619 -8.663 -5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.930 -8.133 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.577 -6.505 -6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.922 -6.885 -8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.584 -8.604 -8.448 1.00 0.00 H new ATOM 257 N ASP A 16 4.802 -10.141 -6.767 1.00 0.00 N ATOM 258 CA ASP A 16 5.763 -10.970 -7.551 1.00 0.00 C ATOM 259 C ASP A 16 6.144 -10.307 -8.886 1.00 0.00 C ATOM 260 O ASP A 16 7.308 -10.118 -9.179 1.00 0.00 O ATOM 261 CB ASP A 16 5.035 -12.284 -7.814 1.00 0.00 C ATOM 262 CG ASP A 16 3.574 -12.008 -8.189 1.00 0.00 C ATOM 263 OD1 ASP A 16 3.262 -10.864 -8.477 1.00 0.00 O ATOM 264 OD2 ASP A 16 2.794 -12.946 -8.183 1.00 0.00 O ATOM 0 H ASP A 16 4.029 -10.651 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 16 6.695 -11.103 -7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.529 -12.828 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.078 -12.917 -6.928 1.00 0.00 H new ATOM 269 N GLU A 17 5.183 -9.993 -9.714 1.00 0.00 N ATOM 270 CA GLU A 17 5.510 -9.394 -11.047 1.00 0.00 C ATOM 271 C GLU A 17 5.885 -7.912 -10.945 1.00 0.00 C ATOM 272 O GLU A 17 5.672 -7.264 -9.939 1.00 0.00 O ATOM 273 CB GLU A 17 4.238 -9.561 -11.881 1.00 0.00 C ATOM 274 CG GLU A 17 3.648 -10.956 -11.657 1.00 0.00 C ATOM 275 CD GLU A 17 2.259 -10.830 -11.023 1.00 0.00 C ATOM 276 OE1 GLU A 17 1.550 -9.902 -11.376 1.00 0.00 O ATOM 277 OE2 GLU A 17 1.930 -11.662 -10.194 1.00 0.00 O ATOM 0 H GLU A 17 4.189 -10.124 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 17 6.376 -9.887 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.509 -8.799 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.464 -9.417 -12.938 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.579 -11.489 -12.605 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.303 -11.539 -11.010 1.00 0.00 H new ATOM 284 N SER A 18 6.444 -7.377 -12.004 1.00 0.00 N ATOM 285 CA SER A 18 6.844 -5.940 -12.014 1.00 0.00 C ATOM 286 C SER A 18 5.697 -5.073 -12.542 1.00 0.00 C ATOM 287 O SER A 18 5.792 -3.863 -12.577 1.00 0.00 O ATOM 288 CB SER A 18 8.049 -5.873 -12.954 1.00 0.00 C ATOM 289 OG SER A 18 9.084 -6.707 -12.447 1.00 0.00 O ATOM 0 H SER A 18 6.641 -7.882 -12.868 1.00 0.00 H new ATOM 0 HA SER A 18 7.084 -5.570 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.763 -6.196 -13.955 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.402 -4.845 -13.039 1.00 0.00 H new ATOM 0 HG SER A 18 9.858 -6.669 -13.047 1.00 0.00 H new ATOM 295 N MET A 19 4.606 -5.674 -12.939 1.00 0.00 N ATOM 296 CA MET A 19 3.464 -4.857 -13.439 1.00 0.00 C ATOM 297 C MET A 19 3.162 -3.771 -12.410 1.00 0.00 C ATOM 298 O MET A 19 2.627 -2.724 -12.719 1.00 0.00 O ATOM 299 CB MET A 19 2.292 -5.832 -13.560 1.00 0.00 C ATOM 300 CG MET A 19 1.014 -5.062 -13.907 1.00 0.00 C ATOM 301 SD MET A 19 -0.391 -6.202 -13.916 1.00 0.00 S ATOM 302 CE MET A 19 -0.134 -6.891 -12.261 1.00 0.00 C ATOM 0 H MET A 19 4.458 -6.683 -12.939 1.00 0.00 H new ATOM 0 HA MET A 19 3.667 -4.371 -14.393 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.502 -6.574 -14.330 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.159 -6.374 -12.624 1.00 0.00 H new ATOM 0 HG2 MET A 19 0.847 -4.267 -13.180 1.00 0.00 H new ATOM 0 HG3 MET A 19 1.117 -4.586 -14.882 1.00 0.00 H new ATOM 0 HE1 MET A 19 -1.084 -7.250 -11.865 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.572 -7.720 -12.317 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.265 -6.119 -11.603 1.00 0.00 H new ATOM 312 N ILE A 20 3.525 -4.022 -11.184 1.00 0.00 N ATOM 313 CA ILE A 20 3.293 -3.028 -10.103 1.00 0.00 C ATOM 314 C ILE A 20 4.402 -1.976 -10.128 1.00 0.00 C ATOM 315 O ILE A 20 4.268 -0.897 -9.585 1.00 0.00 O ATOM 316 CB ILE A 20 3.362 -3.847 -8.816 1.00 0.00 C ATOM 317 CG1 ILE A 20 3.262 -2.922 -7.602 1.00 0.00 C ATOM 318 CG2 ILE A 20 4.687 -4.604 -8.759 1.00 0.00 C ATOM 319 CD1 ILE A 20 3.090 -3.765 -6.335 1.00 0.00 C ATOM 0 H ILE A 20 3.978 -4.885 -10.882 1.00 0.00 H new ATOM 0 HA ILE A 20 2.345 -2.499 -10.205 1.00 0.00 H new ATOM 0 HB ILE A 20 2.533 -4.554 -8.803 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.159 -2.307 -7.524 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.418 -2.242 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.733 -5.188 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.761 -5.272 -9.617 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.513 -3.893 -8.780 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.018 -3.108 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.181 -4.361 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.948 -4.427 -6.219 1.00 0.00 H new ATOM 331 N ALA A 21 5.500 -2.293 -10.754 1.00 0.00 N ATOM 332 CA ALA A 21 6.637 -1.332 -10.821 1.00 0.00 C ATOM 333 C ALA A 21 6.274 -0.125 -11.694 1.00 0.00 C ATOM 334 O ALA A 21 6.102 0.974 -11.206 1.00 0.00 O ATOM 335 CB ALA A 21 7.771 -2.131 -11.457 1.00 0.00 C ATOM 0 H ALA A 21 5.660 -3.183 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 21 6.904 -0.935 -9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.655 -1.500 -11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.003 -2.994 -10.833 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.466 -2.471 -12.447 1.00 0.00 H new ATOM 341 N MET A 22 6.156 -0.320 -12.981 1.00 0.00 N ATOM 342 CA MET A 22 5.802 0.822 -13.875 1.00 0.00 C ATOM 343 C MET A 22 4.459 1.407 -13.442 1.00 0.00 C ATOM 344 O MET A 22 4.167 2.566 -13.660 1.00 0.00 O ATOM 345 CB MET A 22 5.705 0.217 -15.277 1.00 0.00 C ATOM 346 CG MET A 22 5.015 1.208 -16.217 1.00 0.00 C ATOM 347 SD MET A 22 4.776 0.435 -17.837 1.00 0.00 S ATOM 348 CE MET A 22 3.008 0.785 -17.995 1.00 0.00 C ATOM 0 H MET A 22 6.289 -1.216 -13.450 1.00 0.00 H new ATOM 0 HA MET A 22 6.534 1.629 -13.840 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.701 -0.021 -15.651 1.00 0.00 H new ATOM 0 HB3 MET A 22 5.145 -0.718 -15.243 1.00 0.00 H new ATOM 0 HG2 MET A 22 4.054 1.511 -15.801 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.618 2.110 -16.318 1.00 0.00 H new ATOM 0 HE1 MET A 22 2.642 0.388 -18.942 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.469 0.315 -17.172 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.846 1.863 -17.966 1.00 0.00 H new ATOM 358 N LEU A 23 3.646 0.603 -12.818 1.00 0.00 N ATOM 359 CA LEU A 23 2.319 1.083 -12.347 1.00 0.00 C ATOM 360 C LEU A 23 2.510 2.076 -11.197 1.00 0.00 C ATOM 361 O LEU A 23 1.574 2.693 -10.730 1.00 0.00 O ATOM 362 CB LEU A 23 1.615 -0.196 -11.874 1.00 0.00 C ATOM 363 CG LEU A 23 0.388 0.130 -11.012 1.00 0.00 C ATOM 364 CD1 LEU A 23 0.835 0.513 -9.599 1.00 0.00 C ATOM 365 CD2 LEU A 23 -0.404 1.286 -11.631 1.00 0.00 C ATOM 0 H LEU A 23 3.846 -0.376 -12.612 1.00 0.00 H new ATOM 0 HA LEU A 23 1.744 1.606 -13.112 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.309 -0.786 -12.738 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.313 -0.807 -11.301 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.251 -0.752 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.040 0.744 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.379 -0.319 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.484 1.387 -9.647 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.272 1.507 -11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.231 2.170 -11.694 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.736 1.005 -12.631 1.00 0.00 H new ATOM 377 N ILE A 24 3.720 2.232 -10.737 1.00 0.00 N ATOM 378 CA ILE A 24 3.979 3.177 -9.616 1.00 0.00 C ATOM 379 C ILE A 24 4.640 4.457 -10.147 1.00 0.00 C ATOM 380 O ILE A 24 4.170 5.554 -9.914 1.00 0.00 O ATOM 381 CB ILE A 24 4.906 2.397 -8.661 1.00 0.00 C ATOM 382 CG1 ILE A 24 4.214 2.242 -7.305 1.00 0.00 C ATOM 383 CG2 ILE A 24 6.242 3.123 -8.456 1.00 0.00 C ATOM 384 CD1 ILE A 24 4.457 0.832 -6.769 1.00 0.00 C ATOM 0 H ILE A 24 4.543 1.744 -11.091 1.00 0.00 H new ATOM 0 HA ILE A 24 3.071 3.502 -9.108 1.00 0.00 H new ATOM 0 HB ILE A 24 5.108 1.423 -9.106 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.598 2.981 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.144 2.425 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.870 2.545 -7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.748 3.231 -9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.059 4.109 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.965 0.720 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.052 0.102 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.528 0.667 -6.652 1.00 0.00 H new ATOM 396 N GLU A 25 5.731 4.323 -10.853 1.00 0.00 N ATOM 397 CA GLU A 25 6.426 5.529 -11.388 1.00 0.00 C ATOM 398 C GLU A 25 5.419 6.471 -12.046 1.00 0.00 C ATOM 399 O GLU A 25 5.533 7.677 -11.961 1.00 0.00 O ATOM 400 CB GLU A 25 7.412 4.995 -12.429 1.00 0.00 C ATOM 401 CG GLU A 25 8.838 5.074 -11.877 1.00 0.00 C ATOM 402 CD GLU A 25 9.590 6.221 -12.558 1.00 0.00 C ATOM 403 OE1 GLU A 25 8.937 7.139 -13.026 1.00 0.00 O ATOM 404 OE2 GLU A 25 10.808 6.160 -12.601 1.00 0.00 O ATOM 0 H GLU A 25 6.170 3.431 -11.082 1.00 0.00 H new ATOM 0 HA GLU A 25 6.928 6.094 -10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.166 3.964 -12.682 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.335 5.575 -13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.813 5.232 -10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.358 4.132 -12.049 1.00 0.00 H new ATOM 411 N ASP A 26 4.437 5.927 -12.707 1.00 0.00 N ATOM 412 CA ASP A 26 3.427 6.789 -13.378 1.00 0.00 C ATOM 413 C ASP A 26 2.467 7.383 -12.343 1.00 0.00 C ATOM 414 O ASP A 26 2.159 8.557 -12.373 1.00 0.00 O ATOM 415 CB ASP A 26 2.703 5.853 -14.357 1.00 0.00 C ATOM 416 CG ASP A 26 1.523 5.161 -13.664 1.00 0.00 C ATOM 417 OD1 ASP A 26 1.768 4.354 -12.783 1.00 0.00 O ATOM 418 OD2 ASP A 26 0.396 5.449 -14.032 1.00 0.00 O ATOM 0 H ASP A 26 4.290 4.923 -12.811 1.00 0.00 H new ATOM 0 HA ASP A 26 3.872 7.638 -13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.346 6.421 -15.216 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.399 5.105 -14.737 1.00 0.00 H new ATOM 423 N THR A 27 1.997 6.585 -11.424 1.00 0.00 N ATOM 424 CA THR A 27 1.067 7.118 -10.392 1.00 0.00 C ATOM 425 C THR A 27 1.773 8.196 -9.567 1.00 0.00 C ATOM 426 O THR A 27 1.227 9.250 -9.310 1.00 0.00 O ATOM 427 CB THR A 27 0.702 5.919 -9.516 1.00 0.00 C ATOM 428 OG1 THR A 27 1.746 4.960 -9.570 1.00 0.00 O ATOM 429 CG2 THR A 27 -0.596 5.294 -10.027 1.00 0.00 C ATOM 0 H THR A 27 2.216 5.592 -11.344 1.00 0.00 H new ATOM 0 HA THR A 27 0.180 7.576 -10.830 1.00 0.00 H new ATOM 0 HB THR A 27 0.565 6.247 -8.486 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.404 4.125 -9.953 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.858 4.439 -9.404 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.397 6.033 -9.985 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.460 4.964 -11.057 1.00 0.00 H new ATOM 437 N LEU A 28 2.988 7.946 -9.159 1.00 0.00 N ATOM 438 CA LEU A 28 3.723 8.968 -8.364 1.00 0.00 C ATOM 439 C LEU A 28 3.874 10.243 -9.200 1.00 0.00 C ATOM 440 O LEU A 28 3.881 11.340 -8.681 1.00 0.00 O ATOM 441 CB LEU A 28 5.082 8.324 -8.040 1.00 0.00 C ATOM 442 CG LEU A 28 6.131 8.694 -9.097 1.00 0.00 C ATOM 443 CD1 LEU A 28 6.647 10.109 -8.833 1.00 0.00 C ATOM 444 CD2 LEU A 28 7.301 7.712 -9.015 1.00 0.00 C ATOM 0 H LEU A 28 3.500 7.083 -9.341 1.00 0.00 H new ATOM 0 HA LEU A 28 3.208 9.256 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.419 8.653 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.973 7.240 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 28 5.678 8.648 -10.087 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.392 10.371 -9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.817 10.814 -8.884 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.100 10.152 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.048 7.972 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.750 7.763 -8.023 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.940 6.700 -9.199 1.00 0.00 H new ATOM 456 N CYS A 29 3.982 10.103 -10.497 1.00 0.00 N ATOM 457 CA CYS A 29 4.117 11.308 -11.362 1.00 0.00 C ATOM 458 C CYS A 29 3.043 12.326 -10.980 1.00 0.00 C ATOM 459 O CYS A 29 3.250 13.522 -11.041 1.00 0.00 O ATOM 460 CB CYS A 29 3.896 10.813 -12.792 1.00 0.00 C ATOM 461 SG CYS A 29 4.170 12.180 -13.947 1.00 0.00 S ATOM 0 H CYS A 29 3.982 9.210 -10.990 1.00 0.00 H new ATOM 0 HA CYS A 29 5.088 11.791 -11.254 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.577 9.992 -13.014 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.883 10.426 -12.903 1.00 0.00 H new ATOM 0 HG CYS A 29 3.985 11.763 -15.164 1.00 0.00 H new ATOM 467 N GLU A 30 1.892 11.853 -10.585 1.00 0.00 N ATOM 468 CA GLU A 30 0.796 12.776 -10.196 1.00 0.00 C ATOM 469 C GLU A 30 0.899 13.123 -8.707 1.00 0.00 C ATOM 470 O GLU A 30 0.764 14.266 -8.315 1.00 0.00 O ATOM 471 CB GLU A 30 -0.490 11.998 -10.480 1.00 0.00 C ATOM 472 CG GLU A 30 -1.703 12.824 -10.043 1.00 0.00 C ATOM 473 CD GLU A 30 -2.818 12.684 -11.082 1.00 0.00 C ATOM 474 OE1 GLU A 30 -2.774 13.398 -12.070 1.00 0.00 O ATOM 475 OE2 GLU A 30 -3.698 11.865 -10.871 1.00 0.00 O ATOM 0 H GLU A 30 1.666 10.861 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 30 0.833 13.718 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.559 11.768 -11.543 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.475 11.047 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.055 12.485 -9.069 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.423 13.872 -9.934 1.00 0.00 H new ATOM 482 N LEU A 31 1.134 12.143 -7.875 1.00 0.00 N ATOM 483 CA LEU A 31 1.240 12.415 -6.411 1.00 0.00 C ATOM 484 C LEU A 31 2.551 13.134 -6.089 1.00 0.00 C ATOM 485 O LEU A 31 2.600 14.003 -5.242 1.00 0.00 O ATOM 486 CB LEU A 31 1.233 11.039 -5.740 1.00 0.00 C ATOM 487 CG LEU A 31 0.029 10.232 -6.219 1.00 0.00 C ATOM 488 CD1 LEU A 31 0.403 8.751 -6.267 1.00 0.00 C ATOM 489 CD2 LEU A 31 -1.133 10.431 -5.244 1.00 0.00 C ATOM 0 H LEU A 31 1.257 11.167 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 31 0.426 13.052 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.155 10.506 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.197 11.153 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.267 10.567 -7.213 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.454 8.170 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.236 8.608 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.694 8.417 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.995 9.856 -5.583 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.837 10.091 -4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.396 11.488 -5.202 1.00 0.00 H new ATOM 501 N GLY A 32 3.619 12.767 -6.743 1.00 0.00 N ATOM 502 CA GLY A 32 4.924 13.419 -6.449 1.00 0.00 C ATOM 503 C GLY A 32 5.495 12.815 -5.165 1.00 0.00 C ATOM 504 O GLY A 32 6.457 13.305 -4.607 1.00 0.00 O ATOM 0 H GLY A 32 3.644 12.047 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.616 13.269 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.792 14.495 -6.334 1.00 0.00 H new ATOM 508 N HIS A 33 4.902 11.748 -4.695 1.00 0.00 N ATOM 509 CA HIS A 33 5.392 11.095 -3.448 1.00 0.00 C ATOM 510 C HIS A 33 6.913 10.923 -3.503 1.00 0.00 C ATOM 511 O HIS A 33 7.544 11.245 -4.490 1.00 0.00 O ATOM 512 CB HIS A 33 4.695 9.734 -3.427 1.00 0.00 C ATOM 513 CG HIS A 33 3.335 9.871 -2.798 1.00 0.00 C ATOM 514 ND1 HIS A 33 2.173 9.508 -3.461 1.00 0.00 N ATOM 515 CD2 HIS A 33 2.936 10.315 -1.561 1.00 0.00 C ATOM 516 CE1 HIS A 33 1.141 9.735 -2.628 1.00 0.00 C ATOM 517 NE2 HIS A 33 1.551 10.228 -1.456 1.00 0.00 N ATOM 0 H HIS A 33 4.094 11.299 -5.126 1.00 0.00 H new ATOM 0 HA HIS A 33 5.175 11.682 -2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.600 9.348 -4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.295 9.016 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.597 10.677 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.108 9.542 -2.876 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.973 10.485 -0.656 1.00 0.00 H new ATOM 525 N GLU A 34 7.511 10.422 -2.452 1.00 0.00 N ATOM 526 CA GLU A 34 8.999 10.245 -2.466 1.00 0.00 C ATOM 527 C GLU A 34 9.398 9.103 -3.417 1.00 0.00 C ATOM 528 O GLU A 34 9.453 9.280 -4.618 1.00 0.00 O ATOM 529 CB GLU A 34 9.377 9.914 -1.021 1.00 0.00 C ATOM 530 CG GLU A 34 9.649 11.213 -0.256 1.00 0.00 C ATOM 531 CD GLU A 34 9.990 10.889 1.200 1.00 0.00 C ATOM 532 OE1 GLU A 34 10.530 9.821 1.438 1.00 0.00 O ATOM 533 OE2 GLU A 34 9.706 11.715 2.052 1.00 0.00 O ATOM 0 H GLU A 34 7.043 10.130 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 34 9.515 11.136 -2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.572 9.358 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.260 9.276 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.472 11.755 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.775 11.863 -0.300 1.00 0.00 H new ATOM 540 N VAL A 35 9.668 7.933 -2.894 1.00 0.00 N ATOM 541 CA VAL A 35 10.048 6.788 -3.770 1.00 0.00 C ATOM 542 C VAL A 35 9.313 5.522 -3.311 1.00 0.00 C ATOM 543 O VAL A 35 9.642 4.932 -2.301 1.00 0.00 O ATOM 544 CB VAL A 35 11.565 6.629 -3.604 1.00 0.00 C ATOM 545 CG1 VAL A 35 12.285 7.646 -4.491 1.00 0.00 C ATOM 546 CG2 VAL A 35 11.962 6.862 -2.142 1.00 0.00 C ATOM 0 H VAL A 35 9.641 7.723 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 35 9.781 6.957 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 35 11.849 5.618 -3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.363 7.533 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.014 7.476 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.992 8.655 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 35 13.041 6.747 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.673 7.870 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.455 6.136 -1.507 1.00 0.00 H new ATOM 556 N ALA A 36 8.309 5.111 -4.041 1.00 0.00 N ATOM 557 CA ALA A 36 7.538 3.896 -3.648 1.00 0.00 C ATOM 558 C ALA A 36 8.354 2.625 -3.899 1.00 0.00 C ATOM 559 O ALA A 36 9.511 2.678 -4.266 1.00 0.00 O ATOM 560 CB ALA A 36 6.296 3.919 -4.542 1.00 0.00 C ATOM 0 H ALA A 36 7.989 5.567 -4.896 1.00 0.00 H new ATOM 0 HA ALA A 36 7.288 3.897 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.670 3.055 -4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.732 4.833 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.600 3.885 -5.588 1.00 0.00 H new ATOM 566 N ALA A 37 7.750 1.480 -3.706 1.00 0.00 N ATOM 567 CA ALA A 37 8.479 0.198 -3.935 1.00 0.00 C ATOM 568 C ALA A 37 7.745 -0.641 -4.980 1.00 0.00 C ATOM 569 O ALA A 37 6.561 -0.477 -5.200 1.00 0.00 O ATOM 570 CB ALA A 37 8.477 -0.520 -2.585 1.00 0.00 C ATOM 0 H ALA A 37 6.782 1.379 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 37 9.491 0.365 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.998 -1.473 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.983 0.098 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.449 -0.698 -2.269 1.00 0.00 H new ATOM 576 N THR A 38 8.442 -1.532 -5.630 1.00 0.00 N ATOM 577 CA THR A 38 7.789 -2.373 -6.671 1.00 0.00 C ATOM 578 C THR A 38 8.140 -3.851 -6.507 1.00 0.00 C ATOM 579 O THR A 38 9.037 -4.218 -5.775 1.00 0.00 O ATOM 580 CB THR A 38 8.324 -1.851 -7.999 1.00 0.00 C ATOM 581 OG1 THR A 38 8.032 -2.795 -9.018 1.00 0.00 O ATOM 582 CG2 THR A 38 9.838 -1.653 -7.901 1.00 0.00 C ATOM 0 H THR A 38 9.435 -1.714 -5.485 1.00 0.00 H new ATOM 0 HA THR A 38 6.703 -2.309 -6.602 1.00 0.00 H new ATOM 0 HB THR A 38 7.854 -0.897 -8.235 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.821 -3.353 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.218 -1.280 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.061 -0.933 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.315 -2.605 -7.668 1.00 0.00 H new ATOM 590 N ALA A 39 7.412 -4.689 -7.199 1.00 0.00 N ATOM 591 CA ALA A 39 7.620 -6.164 -7.125 1.00 0.00 C ATOM 592 C ALA A 39 7.633 -6.609 -5.669 1.00 0.00 C ATOM 593 O ALA A 39 7.827 -5.820 -4.783 1.00 0.00 O ATOM 594 CB ALA A 39 8.963 -6.451 -7.774 1.00 0.00 C ATOM 0 H ALA A 39 6.662 -4.403 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 39 6.821 -6.703 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.160 -7.523 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.946 -6.114 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.748 -5.922 -7.234 1.00 0.00 H new ATOM 600 N SER A 40 7.407 -7.859 -5.408 1.00 0.00 N ATOM 601 CA SER A 40 7.402 -8.320 -3.994 1.00 0.00 C ATOM 602 C SER A 40 8.841 -8.532 -3.521 1.00 0.00 C ATOM 603 O SER A 40 9.645 -9.129 -4.207 1.00 0.00 O ATOM 604 CB SER A 40 6.619 -9.623 -4.002 1.00 0.00 C ATOM 605 OG SER A 40 7.364 -10.618 -4.691 1.00 0.00 O ATOM 0 H SER A 40 7.226 -8.581 -6.106 1.00 0.00 H new ATOM 0 HA SER A 40 6.950 -7.598 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.418 -9.946 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.653 -9.477 -4.485 1.00 0.00 H new ATOM 0 HG SER A 40 8.301 -10.337 -4.758 1.00 0.00 H new ATOM 611 N ARG A 41 9.182 -8.030 -2.364 1.00 0.00 N ATOM 612 CA ARG A 41 10.575 -8.190 -1.878 1.00 0.00 C ATOM 613 C ARG A 41 10.613 -8.190 -0.348 1.00 0.00 C ATOM 614 O ARG A 41 10.251 -7.221 0.289 1.00 0.00 O ATOM 615 CB ARG A 41 11.312 -6.974 -2.435 1.00 0.00 C ATOM 616 CG ARG A 41 12.766 -7.347 -2.724 1.00 0.00 C ATOM 617 CD ARG A 41 12.803 -8.467 -3.767 1.00 0.00 C ATOM 618 NE ARG A 41 13.577 -7.906 -4.909 1.00 0.00 N ATOM 619 CZ ARG A 41 13.748 -8.610 -5.999 1.00 0.00 C ATOM 620 NH1 ARG A 41 13.296 -9.834 -6.066 1.00 0.00 N ATOM 621 NH2 ARG A 41 14.372 -8.091 -7.020 1.00 0.00 N ATOM 0 H ARG A 41 8.557 -7.519 -1.740 1.00 0.00 H new ATOM 0 HA ARG A 41 11.024 -9.131 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.826 -6.627 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.271 -6.152 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.311 -6.477 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.259 -7.671 -1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.281 -9.362 -3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 41 11.797 -8.753 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 41 13.975 -6.969 -4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 41 12.809 -10.242 -5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.430 -10.381 -6.916 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.727 -7.136 -6.969 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.505 -8.640 -7.869 1.00 0.00 H new ATOM 635 N MET A 42 11.050 -9.268 0.244 1.00 0.00 N ATOM 636 CA MET A 42 11.111 -9.329 1.732 1.00 0.00 C ATOM 637 C MET A 42 12.041 -8.240 2.271 1.00 0.00 C ATOM 638 O MET A 42 11.812 -7.683 3.325 1.00 0.00 O ATOM 639 CB MET A 42 11.666 -10.717 2.054 1.00 0.00 C ATOM 640 CG MET A 42 10.565 -11.763 1.864 1.00 0.00 C ATOM 641 SD MET A 42 10.984 -13.259 2.795 1.00 0.00 S ATOM 642 CE MET A 42 10.480 -12.670 4.432 1.00 0.00 C ATOM 0 H MET A 42 11.367 -10.109 -0.238 1.00 0.00 H new ATOM 0 HA MET A 42 10.135 -9.166 2.189 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.512 -10.942 1.405 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.035 -10.744 3.079 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.609 -11.366 2.205 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.453 -12.000 0.806 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.276 -12.867 5.150 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.287 -11.598 4.389 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.574 -13.190 4.743 1.00 0.00 H new ATOM 652 N GLN A 43 13.085 -7.930 1.555 1.00 0.00 N ATOM 653 CA GLN A 43 14.024 -6.875 2.029 1.00 0.00 C ATOM 654 C GLN A 43 13.301 -5.527 2.091 1.00 0.00 C ATOM 655 O GLN A 43 13.256 -4.884 3.120 1.00 0.00 O ATOM 656 CB GLN A 43 15.147 -6.838 0.991 1.00 0.00 C ATOM 657 CG GLN A 43 16.024 -8.088 1.129 1.00 0.00 C ATOM 658 CD GLN A 43 17.482 -7.671 1.338 1.00 0.00 C ATOM 659 OE1 GLN A 43 17.873 -7.308 2.429 1.00 0.00 O ATOM 660 NE2 GLN A 43 18.310 -7.710 0.328 1.00 0.00 N ATOM 0 H GLN A 43 13.329 -8.361 0.663 1.00 0.00 H new ATOM 0 HA GLN A 43 14.409 -7.080 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 43 14.725 -6.788 -0.013 1.00 0.00 H new ATOM 0 HB3 GLN A 43 15.752 -5.942 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.684 -8.692 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 43 15.936 -8.707 0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 43 17.982 -8.015 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.284 -7.436 0.456 1.00 0.00 H new ATOM 669 N GLU A 44 12.729 -5.095 0.999 1.00 0.00 N ATOM 670 CA GLU A 44 12.007 -3.795 1.003 1.00 0.00 C ATOM 671 C GLU A 44 10.655 -3.950 1.705 1.00 0.00 C ATOM 672 O GLU A 44 10.257 -3.121 2.502 1.00 0.00 O ATOM 673 CB GLU A 44 11.811 -3.438 -0.470 1.00 0.00 C ATOM 674 CG GLU A 44 13.166 -3.117 -1.103 1.00 0.00 C ATOM 675 CD GLU A 44 13.908 -2.097 -0.236 1.00 0.00 C ATOM 676 OE1 GLU A 44 13.282 -1.139 0.185 1.00 0.00 O ATOM 677 OE2 GLU A 44 15.091 -2.292 -0.008 1.00 0.00 O ATOM 0 H GLU A 44 12.732 -5.588 0.106 1.00 0.00 H new ATOM 0 HA GLU A 44 12.557 -3.019 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.339 -4.268 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.143 -2.582 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.758 -4.027 -1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.024 -2.720 -2.108 1.00 0.00 H new ATOM 684 N ALA A 45 9.949 -5.011 1.422 1.00 0.00 N ATOM 685 CA ALA A 45 8.631 -5.218 2.085 1.00 0.00 C ATOM 686 C ALA A 45 8.781 -4.956 3.579 1.00 0.00 C ATOM 687 O ALA A 45 8.157 -4.077 4.134 1.00 0.00 O ATOM 688 CB ALA A 45 8.274 -6.681 1.826 1.00 0.00 C ATOM 0 H ALA A 45 10.226 -5.739 0.764 1.00 0.00 H new ATOM 0 HA ALA A 45 7.857 -4.550 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.312 -6.908 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.213 -6.856 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.042 -7.324 2.255 1.00 0.00 H new ATOM 694 N LEU A 46 9.630 -5.699 4.229 1.00 0.00 N ATOM 695 CA LEU A 46 9.850 -5.480 5.682 1.00 0.00 C ATOM 696 C LEU A 46 9.991 -3.981 5.947 1.00 0.00 C ATOM 697 O LEU A 46 9.591 -3.475 6.976 1.00 0.00 O ATOM 698 CB LEU A 46 11.162 -6.202 5.976 1.00 0.00 C ATOM 699 CG LEU A 46 11.396 -6.269 7.481 1.00 0.00 C ATOM 700 CD1 LEU A 46 10.651 -7.474 8.055 1.00 0.00 C ATOM 701 CD2 LEU A 46 12.896 -6.413 7.748 1.00 0.00 C ATOM 0 H LEU A 46 10.182 -6.450 3.815 1.00 0.00 H new ATOM 0 HA LEU A 46 9.033 -5.846 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.134 -7.209 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.989 -5.681 5.494 1.00 0.00 H new ATOM 0 HG LEU A 46 11.028 -5.359 7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.816 -7.525 9.131 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.584 -7.371 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.021 -8.387 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 46 13.071 -6.462 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.263 -7.326 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.424 -5.554 7.333 1.00 0.00 H new ATOM 713 N ASP A 47 10.562 -3.270 5.016 1.00 0.00 N ATOM 714 CA ASP A 47 10.738 -1.805 5.195 1.00 0.00 C ATOM 715 C ASP A 47 9.377 -1.103 5.211 1.00 0.00 C ATOM 716 O ASP A 47 9.244 -0.006 5.709 1.00 0.00 O ATOM 717 CB ASP A 47 11.559 -1.359 3.987 1.00 0.00 C ATOM 718 CG ASP A 47 12.711 -0.469 4.454 1.00 0.00 C ATOM 719 OD1 ASP A 47 12.461 0.420 5.251 1.00 0.00 O ATOM 720 OD2 ASP A 47 13.825 -0.691 4.007 1.00 0.00 O ATOM 0 H ASP A 47 10.916 -3.644 4.135 1.00 0.00 H new ATOM 0 HA ASP A 47 11.229 -1.559 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.949 -2.229 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.927 -0.815 3.285 1.00 0.00 H new ATOM 725 N ILE A 48 8.364 -1.721 4.668 1.00 0.00 N ATOM 726 CA ILE A 48 7.026 -1.077 4.661 1.00 0.00 C ATOM 727 C ILE A 48 6.222 -1.502 5.891 1.00 0.00 C ATOM 728 O ILE A 48 5.370 -0.788 6.342 1.00 0.00 O ATOM 729 CB ILE A 48 6.320 -1.548 3.372 1.00 0.00 C ATOM 730 CG1 ILE A 48 5.558 -2.861 3.638 1.00 0.00 C ATOM 731 CG2 ILE A 48 7.351 -1.756 2.267 1.00 0.00 C ATOM 732 CD1 ILE A 48 5.217 -3.570 2.319 1.00 0.00 C ATOM 0 H ILE A 48 8.407 -2.641 4.231 1.00 0.00 H new ATOM 0 HA ILE A 48 7.114 0.009 4.689 1.00 0.00 H new ATOM 0 HB ILE A 48 5.607 -0.786 3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.163 -3.518 4.263 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.642 -2.650 4.190 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.849 -2.089 1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.870 -0.817 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.072 -2.511 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.679 -4.494 2.531 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.592 -2.919 1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.137 -3.800 1.781 1.00 0.00 H new ATOM 744 N ALA A 49 6.448 -2.677 6.414 1.00 0.00 N ATOM 745 CA ALA A 49 5.636 -3.113 7.582 1.00 0.00 C ATOM 746 C ALA A 49 6.326 -2.817 8.918 1.00 0.00 C ATOM 747 O ALA A 49 5.720 -2.290 9.830 1.00 0.00 O ATOM 748 CB ALA A 49 5.448 -4.619 7.400 1.00 0.00 C ATOM 0 H ALA A 49 7.148 -3.343 6.088 1.00 0.00 H new ATOM 0 HA ALA A 49 4.690 -2.572 7.617 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.857 -5.014 8.226 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.931 -4.810 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.422 -5.108 7.385 1.00 0.00 H new ATOM 754 N ARG A 50 7.570 -3.180 9.059 1.00 0.00 N ATOM 755 CA ARG A 50 8.262 -2.945 10.361 1.00 0.00 C ATOM 756 C ARG A 50 8.646 -1.473 10.513 1.00 0.00 C ATOM 757 O ARG A 50 9.232 -1.075 11.500 1.00 0.00 O ATOM 758 CB ARG A 50 9.527 -3.817 10.352 1.00 0.00 C ATOM 759 CG ARG A 50 9.319 -5.110 9.546 1.00 0.00 C ATOM 760 CD ARG A 50 7.977 -5.761 9.893 1.00 0.00 C ATOM 761 NE ARG A 50 8.256 -6.629 11.070 1.00 0.00 N ATOM 762 CZ ARG A 50 7.269 -7.065 11.804 1.00 0.00 C ATOM 763 NH1 ARG A 50 6.634 -6.247 12.597 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.916 -8.320 11.741 1.00 0.00 N ATOM 0 H ARG A 50 8.136 -3.626 8.337 1.00 0.00 H new ATOM 0 HA ARG A 50 7.608 -3.200 11.195 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.356 -3.252 9.926 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.804 -4.067 11.376 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.355 -4.888 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.131 -5.807 9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 50 7.224 -5.009 10.128 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.594 -6.344 9.056 1.00 0.00 H new ATOM 0 HE ARG A 50 9.216 -6.882 11.302 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.909 -5.266 12.644 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.863 -6.588 13.170 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.411 -8.959 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.145 -8.662 12.314 1.00 0.00 H new ATOM 778 N LYS A 51 8.332 -0.661 9.546 1.00 0.00 N ATOM 779 CA LYS A 51 8.692 0.778 9.641 1.00 0.00 C ATOM 780 C LYS A 51 7.706 1.521 10.552 1.00 0.00 C ATOM 781 O LYS A 51 8.092 2.349 11.354 1.00 0.00 O ATOM 782 CB LYS A 51 8.609 1.287 8.203 1.00 0.00 C ATOM 783 CG LYS A 51 8.837 2.796 8.173 1.00 0.00 C ATOM 784 CD LYS A 51 10.242 3.113 8.691 1.00 0.00 C ATOM 785 CE LYS A 51 10.808 4.314 7.931 1.00 0.00 C ATOM 786 NZ LYS A 51 12.157 3.877 7.482 1.00 0.00 N ATOM 0 H LYS A 51 7.841 -0.932 8.694 1.00 0.00 H new ATOM 0 HA LYS A 51 9.680 0.936 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.355 0.785 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.633 1.049 7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.720 3.172 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.090 3.299 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.207 3.329 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.892 2.248 8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.176 4.580 7.084 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.870 5.194 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.613 4.647 6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.738 3.637 8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.065 3.042 6.869 1.00 0.00 H new ATOM 800 N GLY A 52 6.438 1.229 10.440 1.00 0.00 N ATOM 801 CA GLY A 52 5.432 1.917 11.305 1.00 0.00 C ATOM 802 C GLY A 52 5.333 3.394 10.912 1.00 0.00 C ATOM 803 O GLY A 52 4.761 4.199 11.621 1.00 0.00 O ATOM 0 H GLY A 52 6.054 0.545 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.459 1.437 11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.719 1.829 12.353 1.00 0.00 H new ATOM 807 N GLN A 53 5.882 3.754 9.785 1.00 0.00 N ATOM 808 CA GLN A 53 5.819 5.176 9.336 1.00 0.00 C ATOM 809 C GLN A 53 6.157 5.268 7.845 1.00 0.00 C ATOM 810 O GLN A 53 7.091 5.937 7.447 1.00 0.00 O ATOM 811 CB GLN A 53 6.868 5.912 10.173 1.00 0.00 C ATOM 812 CG GLN A 53 8.247 5.296 9.926 1.00 0.00 C ATOM 813 CD GLN A 53 9.334 6.257 10.408 1.00 0.00 C ATOM 814 OE1 GLN A 53 9.971 6.990 9.536 1.00 0.00 O flip ATOM 815 NE2 GLN A 53 9.608 6.342 11.589 1.00 0.00 N flip ATOM 0 H GLN A 53 6.374 3.123 9.152 1.00 0.00 H new ATOM 0 HA GLN A 53 4.827 5.607 9.468 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.879 6.970 9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.614 5.848 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.330 4.344 10.451 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.378 5.087 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.110 5.769 12.271 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.336 6.986 11.899 1.00 0.00 H new ATOM 824 N PHE A 54 5.399 4.604 7.016 1.00 0.00 N ATOM 825 CA PHE A 54 5.668 4.652 5.550 1.00 0.00 C ATOM 826 C PHE A 54 4.407 5.107 4.802 1.00 0.00 C ATOM 827 O PHE A 54 4.388 5.197 3.595 1.00 0.00 O ATOM 828 CB PHE A 54 6.063 3.222 5.167 1.00 0.00 C ATOM 829 CG PHE A 54 5.030 2.243 5.671 1.00 0.00 C ATOM 830 CD1 PHE A 54 5.037 1.836 7.011 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.068 1.739 4.796 1.00 0.00 C ATOM 832 CE1 PHE A 54 4.081 0.927 7.472 1.00 0.00 C ATOM 833 CE2 PHE A 54 3.116 0.828 5.253 1.00 0.00 C ATOM 834 CZ PHE A 54 3.120 0.420 6.590 1.00 0.00 C ATOM 0 H PHE A 54 4.603 4.029 7.291 1.00 0.00 H new ATOM 0 HA PHE A 54 6.455 5.360 5.290 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.154 3.140 4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.039 2.981 5.588 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.782 2.225 7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.060 2.055 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.084 0.616 8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.374 0.437 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.382 -0.286 6.942 1.00 0.00 H new ATOM 844 N ASP A 55 3.367 5.416 5.528 1.00 0.00 N ATOM 845 CA ASP A 55 2.100 5.898 4.898 1.00 0.00 C ATOM 846 C ASP A 55 1.333 4.774 4.190 1.00 0.00 C ATOM 847 O ASP A 55 0.137 4.689 4.335 1.00 0.00 O ATOM 848 CB ASP A 55 2.510 6.984 3.911 1.00 0.00 C ATOM 849 CG ASP A 55 1.330 7.930 3.677 1.00 0.00 C ATOM 850 OD1 ASP A 55 0.863 8.513 4.642 1.00 0.00 O ATOM 851 OD2 ASP A 55 0.913 8.055 2.537 1.00 0.00 O ATOM 0 H ASP A 55 3.339 5.355 6.546 1.00 0.00 H new ATOM 0 HA ASP A 55 1.418 6.277 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.364 7.539 4.298 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.823 6.535 2.968 1.00 0.00 H new ATOM 856 N ILE A 56 1.977 3.921 3.419 1.00 0.00 N ATOM 857 CA ILE A 56 1.196 2.828 2.733 1.00 0.00 C ATOM 858 C ILE A 56 2.090 1.644 2.319 1.00 0.00 C ATOM 859 O ILE A 56 3.226 1.816 1.924 1.00 0.00 O ATOM 860 CB ILE A 56 0.574 3.487 1.496 1.00 0.00 C ATOM 861 CG1 ILE A 56 -0.634 4.327 1.929 1.00 0.00 C ATOM 862 CG2 ILE A 56 0.123 2.405 0.506 1.00 0.00 C ATOM 863 CD1 ILE A 56 -1.514 4.645 0.719 1.00 0.00 C ATOM 0 H ILE A 56 2.981 3.930 3.237 1.00 0.00 H new ATOM 0 HA ILE A 56 0.446 2.410 3.405 1.00 0.00 H new ATOM 0 HB ILE A 56 1.311 4.128 1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.213 3.786 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.295 5.252 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.319 2.876 -0.372 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.983 1.808 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.616 1.761 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.369 5.242 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.934 5.204 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.867 3.716 0.271 1.00 0.00 H new ATOM 875 N ALA A 57 1.562 0.437 2.380 1.00 0.00 N ATOM 876 CA ALA A 57 2.364 -0.762 1.972 1.00 0.00 C ATOM 877 C ALA A 57 1.448 -1.765 1.281 1.00 0.00 C ATOM 878 O ALA A 57 0.396 -2.087 1.785 1.00 0.00 O ATOM 879 CB ALA A 57 2.900 -1.364 3.268 1.00 0.00 C ATOM 0 H ALA A 57 0.613 0.235 2.694 1.00 0.00 H new ATOM 0 HA ALA A 57 3.170 -0.502 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.497 -2.247 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.521 -0.629 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.066 -1.646 3.910 1.00 0.00 H new ATOM 885 N ILE A 58 1.807 -2.257 0.131 1.00 0.00 N ATOM 886 CA ILE A 58 0.884 -3.210 -0.536 1.00 0.00 C ATOM 887 C ILE A 58 1.569 -4.500 -0.987 1.00 0.00 C ATOM 888 O ILE A 58 2.066 -4.598 -2.091 1.00 0.00 O ATOM 889 CB ILE A 58 0.357 -2.454 -1.751 1.00 0.00 C ATOM 890 CG1 ILE A 58 -0.545 -1.311 -1.285 1.00 0.00 C ATOM 891 CG2 ILE A 58 -0.446 -3.410 -2.634 1.00 0.00 C ATOM 892 CD1 ILE A 58 0.317 -0.175 -0.737 1.00 0.00 C ATOM 0 H ILE A 58 2.674 -2.048 -0.364 1.00 0.00 H new ATOM 0 HA ILE A 58 0.104 -3.526 0.156 1.00 0.00 H new ATOM 0 HB ILE A 58 1.193 -2.048 -2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.154 -0.952 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.231 -1.665 -0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.824 -2.872 -3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.196 -4.227 -2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.284 -3.814 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.325 0.641 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.907 -0.539 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.985 0.185 -1.520 1.00 0.00 H new ATOM 904 N ILE A 59 1.514 -5.516 -0.174 1.00 0.00 N ATOM 905 CA ILE A 59 2.067 -6.829 -0.593 1.00 0.00 C ATOM 906 C ILE A 59 0.920 -7.542 -1.284 1.00 0.00 C ATOM 907 O ILE A 59 0.402 -8.540 -0.822 1.00 0.00 O ATOM 908 CB ILE A 59 2.487 -7.533 0.694 1.00 0.00 C ATOM 909 CG1 ILE A 59 3.860 -7.010 1.106 1.00 0.00 C ATOM 910 CG2 ILE A 59 2.565 -9.042 0.457 1.00 0.00 C ATOM 911 CD1 ILE A 59 3.793 -6.480 2.536 1.00 0.00 C ATOM 0 H ILE A 59 1.110 -5.493 0.762 1.00 0.00 H new ATOM 0 HA ILE A 59 2.923 -6.782 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 59 1.758 -7.336 1.480 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.601 -7.807 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.178 -6.218 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.865 -9.540 1.379 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.588 -9.412 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.297 -9.250 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.773 -6.106 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.064 -5.671 2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.493 -7.284 3.208 1.00 0.00 H new ATOM 923 N ASP A 60 0.480 -6.973 -2.369 1.00 0.00 N ATOM 924 CA ASP A 60 -0.687 -7.533 -3.094 1.00 0.00 C ATOM 925 C ASP A 60 -0.390 -8.913 -3.647 1.00 0.00 C ATOM 926 O ASP A 60 0.744 -9.326 -3.754 1.00 0.00 O ATOM 927 CB ASP A 60 -0.972 -6.535 -4.223 1.00 0.00 C ATOM 928 CG ASP A 60 -1.822 -7.195 -5.316 1.00 0.00 C ATOM 929 OD1 ASP A 60 -2.760 -7.892 -4.974 1.00 0.00 O ATOM 930 OD2 ASP A 60 -1.525 -6.983 -6.479 1.00 0.00 O ATOM 0 H ASP A 60 0.885 -6.135 -2.787 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.545 -7.660 -2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.492 -5.664 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.034 -6.179 -4.648 1.00 0.00 H new ATOM 935 N VAL A 61 -1.433 -9.610 -4.003 1.00 0.00 N ATOM 936 CA VAL A 61 -1.315 -10.975 -4.574 1.00 0.00 C ATOM 937 C VAL A 61 -1.188 -12.022 -3.449 1.00 0.00 C ATOM 938 O VAL A 61 -0.145 -12.578 -3.178 1.00 0.00 O ATOM 939 CB VAL A 61 -0.110 -10.913 -5.544 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.137 -11.590 -4.965 1.00 0.00 C ATOM 941 CG2 VAL A 61 -0.490 -11.612 -6.850 1.00 0.00 C ATOM 0 H VAL A 61 -2.393 -9.275 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.199 -11.293 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 61 0.128 -9.863 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.955 -11.520 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.424 -11.093 -4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.921 -12.639 -4.762 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.352 -11.574 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.745 -12.652 -6.645 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.348 -11.109 -7.296 1.00 0.00 H new ATOM 951 N ASN A 62 -2.289 -12.312 -2.802 1.00 0.00 N ATOM 952 CA ASN A 62 -2.280 -13.337 -1.721 1.00 0.00 C ATOM 953 C ASN A 62 -3.154 -14.503 -2.165 1.00 0.00 C ATOM 954 O ASN A 62 -4.258 -14.688 -1.695 1.00 0.00 O ATOM 955 CB ASN A 62 -2.866 -12.670 -0.477 1.00 0.00 C ATOM 956 CG ASN A 62 -1.775 -11.877 0.245 1.00 0.00 C ATOM 957 OD1 ASN A 62 -1.615 -11.999 1.443 1.00 0.00 O ATOM 958 ND2 ASN A 62 -1.015 -11.065 -0.435 1.00 0.00 N ATOM 0 H ASN A 62 -3.196 -11.880 -2.979 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.278 -13.710 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.684 -12.007 -0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.282 -13.425 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.286 -10.532 0.039 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.150 -10.963 -1.441 1.00 0.00 H new ATOM 965 N LEU A 63 -2.666 -15.275 -3.085 1.00 0.00 N ATOM 966 CA LEU A 63 -3.448 -16.422 -3.599 1.00 0.00 C ATOM 967 C LEU A 63 -2.500 -17.584 -3.851 1.00 0.00 C ATOM 968 O LEU A 63 -1.333 -17.519 -3.522 1.00 0.00 O ATOM 969 CB LEU A 63 -4.049 -15.922 -4.915 1.00 0.00 C ATOM 970 CG LEU A 63 -5.572 -15.876 -4.807 1.00 0.00 C ATOM 971 CD1 LEU A 63 -5.982 -14.946 -3.661 1.00 0.00 C ATOM 972 CD2 LEU A 63 -6.154 -15.343 -6.119 1.00 0.00 C ATOM 0 H LEU A 63 -1.745 -15.158 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.220 -16.765 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.662 -14.930 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.753 -16.579 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.951 -16.879 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.069 -14.916 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.565 -15.317 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.604 -13.942 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.241 -15.308 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.770 -14.340 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.865 -16.001 -6.939 1.00 0.00 H new ATOM 984 N ASP A 64 -2.973 -18.646 -4.425 1.00 0.00 N ATOM 985 CA ASP A 64 -2.063 -19.789 -4.676 1.00 0.00 C ATOM 986 C ASP A 64 -1.294 -20.109 -3.396 1.00 0.00 C ATOM 987 O ASP A 64 -0.225 -20.685 -3.427 1.00 0.00 O ATOM 988 CB ASP A 64 -1.104 -19.290 -5.756 1.00 0.00 C ATOM 989 CG ASP A 64 -1.671 -19.624 -7.136 1.00 0.00 C ATOM 990 OD1 ASP A 64 -2.879 -19.749 -7.243 1.00 0.00 O ATOM 991 OD2 ASP A 64 -0.887 -19.750 -8.063 1.00 0.00 O ATOM 0 H ASP A 64 -3.938 -18.773 -4.729 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.590 -20.693 -4.982 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.961 -18.214 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.126 -19.754 -5.631 1.00 0.00 H new ATOM 996 N GLY A 65 -1.826 -19.725 -2.269 1.00 0.00 N ATOM 997 CA GLY A 65 -1.123 -19.991 -0.986 1.00 0.00 C ATOM 998 C GLY A 65 -1.093 -18.719 -0.140 1.00 0.00 C ATOM 999 O GLY A 65 -0.646 -18.729 0.989 1.00 0.00 O ATOM 0 H GLY A 65 -2.718 -19.238 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.629 -20.789 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.107 -20.333 -1.182 1.00 0.00 H new ATOM 1003 N GLU A 66 -1.573 -17.627 -0.678 1.00 0.00 N ATOM 1004 CA GLU A 66 -1.584 -16.342 0.083 1.00 0.00 C ATOM 1005 C GLU A 66 -0.341 -16.222 0.966 1.00 0.00 C ATOM 1006 O GLU A 66 -0.394 -16.452 2.157 1.00 0.00 O ATOM 1007 CB GLU A 66 -2.859 -16.382 0.932 1.00 0.00 C ATOM 1008 CG GLU A 66 -2.911 -17.685 1.739 1.00 0.00 C ATOM 1009 CD GLU A 66 -4.100 -17.649 2.700 1.00 0.00 C ATOM 1010 OE1 GLU A 66 -4.974 -16.822 2.500 1.00 0.00 O ATOM 1011 OE2 GLU A 66 -4.118 -18.452 3.618 1.00 0.00 O ATOM 0 H GLU A 66 -1.961 -17.571 -1.620 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.571 -15.478 -0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.884 -15.526 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.736 -16.307 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.001 -18.538 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.984 -17.816 2.297 1.00 0.00 H new ATOM 1018 N PRO A 67 0.739 -15.859 0.340 1.00 0.00 N ATOM 1019 CA PRO A 67 2.022 -15.699 1.064 1.00 0.00 C ATOM 1020 C PRO A 67 1.984 -14.446 1.951 1.00 0.00 C ATOM 1021 O PRO A 67 1.537 -14.489 3.080 1.00 0.00 O ATOM 1022 CB PRO A 67 3.047 -15.562 -0.061 1.00 0.00 C ATOM 1023 CG PRO A 67 2.273 -15.058 -1.239 1.00 0.00 C ATOM 1024 CD PRO A 67 0.864 -15.566 -1.090 1.00 0.00 C ATOM 0 HA PRO A 67 2.250 -16.527 1.736 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.842 -14.869 0.213 1.00 0.00 H new ATOM 0 HB3 PRO A 67 3.520 -16.519 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.289 -13.969 -1.273 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.714 -15.412 -2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.136 -14.821 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.695 -16.456 -1.696 1.00 0.00 H new ATOM 1032 N SER A 68 2.447 -13.332 1.450 1.00 0.00 N ATOM 1033 CA SER A 68 2.434 -12.076 2.263 1.00 0.00 C ATOM 1034 C SER A 68 3.363 -12.191 3.484 1.00 0.00 C ATOM 1035 O SER A 68 3.436 -11.286 4.291 1.00 0.00 O ATOM 1036 CB SER A 68 0.981 -11.914 2.710 1.00 0.00 C ATOM 1037 OG SER A 68 0.835 -12.400 4.038 1.00 0.00 O ATOM 0 H SER A 68 2.835 -13.235 0.512 1.00 0.00 H new ATOM 0 HA SER A 68 2.791 -11.221 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.690 -10.865 2.662 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.320 -12.460 2.037 1.00 0.00 H new ATOM 0 HG SER A 68 0.825 -13.380 4.029 1.00 0.00 H new ATOM 1043 N TYR A 69 4.073 -13.289 3.608 1.00 0.00 N ATOM 1044 CA TYR A 69 5.015 -13.496 4.763 1.00 0.00 C ATOM 1045 C TYR A 69 4.428 -12.969 6.083 1.00 0.00 C ATOM 1046 O TYR A 69 3.324 -12.463 6.128 1.00 0.00 O ATOM 1047 CB TYR A 69 6.320 -12.749 4.421 1.00 0.00 C ATOM 1048 CG TYR A 69 6.151 -11.832 3.231 1.00 0.00 C ATOM 1049 CD1 TYR A 69 5.684 -10.534 3.428 1.00 0.00 C ATOM 1050 CD2 TYR A 69 6.475 -12.273 1.942 1.00 0.00 C ATOM 1051 CE1 TYR A 69 5.538 -9.667 2.346 1.00 0.00 C ATOM 1052 CE2 TYR A 69 6.327 -11.406 0.852 1.00 0.00 C ATOM 1053 CZ TYR A 69 5.857 -10.102 1.054 1.00 0.00 C ATOM 1054 OH TYR A 69 5.714 -9.245 -0.018 1.00 0.00 O ATOM 0 H TYR A 69 4.040 -14.065 2.947 1.00 0.00 H new ATOM 0 HA TYR A 69 5.193 -14.562 4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.642 -12.167 5.285 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.108 -13.472 4.212 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.434 -10.198 4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.838 -13.279 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.179 -8.661 2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.575 -11.743 -0.144 1.00 0.00 H new ATOM 0 HH TYR A 69 6.295 -8.465 0.107 1.00 0.00 H new ATOM 1064 N PRO A 70 5.193 -13.123 7.133 1.00 0.00 N ATOM 1065 CA PRO A 70 4.746 -12.658 8.466 1.00 0.00 C ATOM 1066 C PRO A 70 4.869 -11.134 8.573 1.00 0.00 C ATOM 1067 O PRO A 70 4.622 -10.553 9.598 1.00 0.00 O ATOM 1068 CB PRO A 70 5.701 -13.348 9.429 1.00 0.00 C ATOM 1069 CG PRO A 70 6.936 -13.623 8.630 1.00 0.00 C ATOM 1070 CD PRO A 70 6.521 -13.753 7.187 1.00 0.00 C ATOM 0 HA PRO A 70 3.701 -12.893 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.921 -12.713 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.270 -14.271 9.817 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.658 -12.816 8.750 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.420 -14.537 8.974 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.226 -13.252 6.524 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.479 -14.797 6.878 1.00 0.00 H new ATOM 1078 N VAL A 71 5.244 -10.473 7.524 1.00 0.00 N ATOM 1079 CA VAL A 71 5.360 -8.994 7.600 1.00 0.00 C ATOM 1080 C VAL A 71 4.020 -8.369 7.227 1.00 0.00 C ATOM 1081 O VAL A 71 3.372 -7.718 8.022 1.00 0.00 O ATOM 1082 CB VAL A 71 6.413 -8.641 6.566 1.00 0.00 C ATOM 1083 CG1 VAL A 71 6.354 -7.147 6.245 1.00 0.00 C ATOM 1084 CG2 VAL A 71 7.793 -8.990 7.109 1.00 0.00 C ATOM 0 H VAL A 71 5.475 -10.886 6.621 1.00 0.00 H new ATOM 0 HA VAL A 71 5.627 -8.635 8.594 1.00 0.00 H new ATOM 0 HB VAL A 71 6.222 -9.208 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.114 -6.904 5.502 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.369 -6.898 5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.538 -6.572 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.551 -8.737 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.978 -8.426 8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.840 -10.057 7.326 1.00 0.00 H new ATOM 1094 N ALA A 72 3.602 -8.591 6.018 1.00 0.00 N ATOM 1095 CA ALA A 72 2.302 -8.054 5.549 1.00 0.00 C ATOM 1096 C ALA A 72 1.188 -8.529 6.463 1.00 0.00 C ATOM 1097 O ALA A 72 0.357 -7.761 6.906 1.00 0.00 O ATOM 1098 CB ALA A 72 2.120 -8.671 4.176 1.00 0.00 C ATOM 0 H ALA A 72 4.116 -9.132 5.323 1.00 0.00 H new ATOM 0 HA ALA A 72 2.279 -6.964 5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.178 -8.330 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.944 -8.370 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.106 -9.757 4.264 1.00 0.00 H new ATOM 1104 N ASP A 73 1.161 -9.799 6.742 1.00 0.00 N ATOM 1105 CA ASP A 73 0.095 -10.328 7.617 1.00 0.00 C ATOM 1106 C ASP A 73 0.163 -9.651 8.985 1.00 0.00 C ATOM 1107 O ASP A 73 -0.812 -9.120 9.477 1.00 0.00 O ATOM 1108 CB ASP A 73 0.389 -11.814 7.743 1.00 0.00 C ATOM 1109 CG ASP A 73 -0.370 -12.589 6.662 1.00 0.00 C ATOM 1110 OD1 ASP A 73 -0.871 -11.956 5.747 1.00 0.00 O ATOM 1111 OD2 ASP A 73 -0.435 -13.803 6.767 1.00 0.00 O ATOM 0 H ASP A 73 1.831 -10.489 6.401 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.902 -10.145 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.460 -11.991 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.096 -12.169 8.731 1.00 0.00 H new ATOM 1116 N ILE A 74 1.320 -9.647 9.592 1.00 0.00 N ATOM 1117 CA ILE A 74 1.448 -8.976 10.921 1.00 0.00 C ATOM 1118 C ILE A 74 1.003 -7.536 10.740 1.00 0.00 C ATOM 1119 O ILE A 74 0.260 -6.979 11.529 1.00 0.00 O ATOM 1120 CB ILE A 74 2.935 -9.049 11.294 1.00 0.00 C ATOM 1121 CG1 ILE A 74 3.208 -10.334 12.091 1.00 0.00 C ATOM 1122 CG2 ILE A 74 3.318 -7.843 12.162 1.00 0.00 C ATOM 1123 CD1 ILE A 74 3.089 -11.567 11.188 1.00 0.00 C ATOM 0 H ILE A 74 2.173 -10.074 9.231 1.00 0.00 H new ATOM 0 HA ILE A 74 0.845 -9.438 11.703 1.00 0.00 H new ATOM 0 HB ILE A 74 3.525 -9.046 10.377 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.206 -10.292 12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.501 -10.413 12.917 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.375 -7.903 12.422 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.132 -6.923 11.608 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.719 -7.846 13.073 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.286 -12.466 11.772 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.083 -11.618 10.772 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.814 -11.495 10.377 1.00 0.00 H new ATOM 1135 N LEU A 75 1.429 -6.945 9.664 1.00 0.00 N ATOM 1136 CA LEU A 75 1.016 -5.560 9.373 1.00 0.00 C ATOM 1137 C LEU A 75 -0.505 -5.493 9.494 1.00 0.00 C ATOM 1138 O LEU A 75 -1.085 -4.457 9.751 1.00 0.00 O ATOM 1139 CB LEU A 75 1.489 -5.336 7.938 1.00 0.00 C ATOM 1140 CG LEU A 75 1.695 -3.846 7.693 1.00 0.00 C ATOM 1141 CD1 LEU A 75 2.670 -3.290 8.737 1.00 0.00 C ATOM 1142 CD2 LEU A 75 2.284 -3.654 6.296 1.00 0.00 C ATOM 0 H LEU A 75 2.049 -7.368 8.973 1.00 0.00 H new ATOM 0 HA LEU A 75 1.426 -4.804 10.042 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.420 -5.875 7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.755 -5.732 7.237 1.00 0.00 H new ATOM 0 HG LEU A 75 0.743 -3.321 7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.819 -2.224 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.260 -3.442 9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.625 -3.808 8.655 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.436 -2.591 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.239 -4.175 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.597 -4.059 5.553 1.00 0.00 H new ATOM 1154 N ALA A 76 -1.143 -6.622 9.331 1.00 0.00 N ATOM 1155 CA ALA A 76 -2.614 -6.690 9.452 1.00 0.00 C ATOM 1156 C ALA A 76 -2.996 -6.903 10.920 1.00 0.00 C ATOM 1157 O ALA A 76 -4.044 -6.486 11.368 1.00 0.00 O ATOM 1158 CB ALA A 76 -3.011 -7.904 8.614 1.00 0.00 C ATOM 0 H ALA A 76 -0.691 -7.511 9.116 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.112 -5.781 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.093 -8.031 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.695 -7.753 7.582 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.529 -8.796 9.014 1.00 0.00 H new ATOM 1164 N GLU A 77 -2.146 -7.550 11.677 1.00 0.00 N ATOM 1165 CA GLU A 77 -2.459 -7.783 13.118 1.00 0.00 C ATOM 1166 C GLU A 77 -2.705 -6.444 13.812 1.00 0.00 C ATOM 1167 O GLU A 77 -3.370 -6.365 14.825 1.00 0.00 O ATOM 1168 CB GLU A 77 -1.217 -8.461 13.697 1.00 0.00 C ATOM 1169 CG GLU A 77 -1.314 -9.971 13.482 1.00 0.00 C ATOM 1170 CD GLU A 77 -1.424 -10.670 14.838 1.00 0.00 C ATOM 1171 OE1 GLU A 77 -2.298 -10.297 15.603 1.00 0.00 O ATOM 1172 OE2 GLU A 77 -0.633 -11.565 15.089 1.00 0.00 O ATOM 0 H GLU A 77 -1.252 -7.925 11.360 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.352 -8.393 13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.320 -8.071 13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.131 -8.239 14.761 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.182 -10.207 12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.436 -10.330 12.945 1.00 0.00 H new ATOM 1179 N ARG A 78 -2.169 -5.392 13.263 1.00 0.00 N ATOM 1180 CA ARG A 78 -2.359 -4.050 13.866 1.00 0.00 C ATOM 1181 C ARG A 78 -2.422 -3.001 12.759 1.00 0.00 C ATOM 1182 O ARG A 78 -1.865 -1.929 12.878 1.00 0.00 O ATOM 1183 CB ARG A 78 -1.133 -3.830 14.748 1.00 0.00 C ATOM 1184 CG ARG A 78 0.118 -3.762 13.872 1.00 0.00 C ATOM 1185 CD ARG A 78 1.363 -3.959 14.741 1.00 0.00 C ATOM 1186 NE ARG A 78 1.092 -5.192 15.530 1.00 0.00 N ATOM 1187 CZ ARG A 78 1.189 -5.168 16.831 1.00 0.00 C ATOM 1188 NH1 ARG A 78 0.825 -4.104 17.492 1.00 0.00 N ATOM 1189 NH2 ARG A 78 1.652 -6.205 17.473 1.00 0.00 N ATOM 0 H ARG A 78 -1.603 -5.407 12.415 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.282 -3.974 14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.242 -2.907 15.317 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.041 -4.641 15.470 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.076 -4.530 13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.166 -2.800 13.363 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.258 -4.071 14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.529 -3.102 15.393 1.00 0.00 H new ATOM 0 HE ARG A 78 0.831 -6.055 15.054 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.465 -3.291 16.992 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.901 -4.085 18.509 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.939 -7.037 16.958 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.727 -6.184 18.490 1.00 0.00 H new ATOM 1203 N ASN A 79 -3.092 -3.333 11.684 1.00 0.00 N ATOM 1204 CA ASN A 79 -3.225 -2.409 10.513 1.00 0.00 C ATOM 1205 C ASN A 79 -2.932 -0.952 10.885 1.00 0.00 C ATOM 1206 O ASN A 79 -3.818 -0.195 11.229 1.00 0.00 O ATOM 1207 CB ASN A 79 -4.682 -2.552 10.074 1.00 0.00 C ATOM 1208 CG ASN A 79 -5.005 -4.027 9.837 1.00 0.00 C ATOM 1209 OD1 ASN A 79 -4.742 -4.556 8.776 1.00 0.00 O ATOM 1210 ND2 ASN A 79 -5.569 -4.720 10.788 1.00 0.00 N ATOM 0 H ASN A 79 -3.565 -4.229 11.566 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.511 -2.664 9.730 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.344 -2.143 10.837 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -4.855 -1.981 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.788 -5.705 10.640 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.790 -4.277 11.680 1.00 0.00 H new ATOM 1217 N VAL A 80 -1.697 -0.553 10.783 1.00 0.00 N ATOM 1218 CA VAL A 80 -1.334 0.859 11.089 1.00 0.00 C ATOM 1219 C VAL A 80 -1.814 1.710 9.905 1.00 0.00 C ATOM 1220 O VAL A 80 -2.346 1.163 8.960 1.00 0.00 O ATOM 1221 CB VAL A 80 0.208 0.807 11.217 1.00 0.00 C ATOM 1222 CG1 VAL A 80 0.905 1.494 10.030 1.00 0.00 C ATOM 1223 CG2 VAL A 80 0.645 1.475 12.525 1.00 0.00 C ATOM 0 H VAL A 80 -0.918 -1.147 10.499 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.776 1.288 11.988 1.00 0.00 H new ATOM 0 HB VAL A 80 0.503 -0.242 11.218 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.986 1.435 10.159 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.622 0.994 9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.601 2.540 9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.731 1.435 12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.319 2.515 12.529 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.196 0.951 13.369 1.00 0.00 H new ATOM 1233 N PRO A 81 -1.611 3.002 9.950 1.00 0.00 N ATOM 1234 CA PRO A 81 -2.042 3.839 8.808 1.00 0.00 C ATOM 1235 C PRO A 81 -1.331 3.335 7.558 1.00 0.00 C ATOM 1236 O PRO A 81 -0.122 3.226 7.525 1.00 0.00 O ATOM 1237 CB PRO A 81 -1.622 5.252 9.215 1.00 0.00 C ATOM 1238 CG PRO A 81 -0.544 5.033 10.226 1.00 0.00 C ATOM 1239 CD PRO A 81 -0.969 3.808 10.995 1.00 0.00 C ATOM 0 HA PRO A 81 -3.108 3.810 8.583 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -1.257 5.822 8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.457 5.810 9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.422 4.881 9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.440 5.895 10.884 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -0.120 3.293 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -1.658 4.052 11.804 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.073 2.980 6.547 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.431 2.426 5.323 1.00 0.00 C ATOM 1249 C PHE A 82 -2.459 2.113 4.237 1.00 0.00 C ATOM 1250 O PHE A 82 -3.407 2.841 4.023 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.761 1.132 5.798 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.798 0.069 6.121 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -3.158 0.396 6.281 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -1.386 -1.258 6.276 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -4.088 -0.601 6.588 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -2.320 -2.252 6.587 1.00 0.00 C ATOM 1257 CZ PHE A 82 -3.669 -1.924 6.745 1.00 0.00 C ATOM 0 H PHE A 82 -3.090 3.049 6.515 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.732 3.136 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.085 0.763 5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -0.155 1.335 6.681 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.483 1.419 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.344 -1.516 6.155 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -5.132 -0.348 6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.997 -3.276 6.705 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.387 -2.693 6.988 1.00 0.00 H new ATOM 1267 N ILE A 83 -2.264 1.017 3.561 1.00 0.00 N ATOM 1268 CA ILE A 83 -3.192 0.600 2.488 1.00 0.00 C ATOM 1269 C ILE A 83 -2.765 -0.783 2.024 1.00 0.00 C ATOM 1270 O ILE A 83 -1.629 -1.176 2.235 1.00 0.00 O ATOM 1271 CB ILE A 83 -3.013 1.654 1.397 1.00 0.00 C ATOM 1272 CG1 ILE A 83 -4.268 2.528 1.315 1.00 0.00 C ATOM 1273 CG2 ILE A 83 -2.753 1.008 0.030 1.00 0.00 C ATOM 1274 CD1 ILE A 83 -5.513 1.640 1.280 1.00 0.00 C ATOM 0 H ILE A 83 -1.481 0.382 3.715 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.238 0.537 2.788 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.148 2.264 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.312 3.199 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.230 3.153 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.630 1.787 -0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.846 0.405 0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.597 0.373 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.404 2.265 1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.470 0.987 0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.553 1.034 2.185 1.00 0.00 H new ATOM 1286 N PHE A 84 -3.650 -1.521 1.411 1.00 0.00 N ATOM 1287 CA PHE A 84 -3.279 -2.886 0.961 1.00 0.00 C ATOM 1288 C PHE A 84 -4.160 -3.355 -0.209 1.00 0.00 C ATOM 1289 O PHE A 84 -5.202 -2.783 -0.532 1.00 0.00 O ATOM 1290 CB PHE A 84 -3.514 -3.745 2.197 1.00 0.00 C ATOM 1291 CG PHE A 84 -2.514 -4.885 2.259 1.00 0.00 C ATOM 1292 CD1 PHE A 84 -2.669 -6.008 1.433 1.00 0.00 C ATOM 1293 CD2 PHE A 84 -1.438 -4.823 3.159 1.00 0.00 C ATOM 1294 CE1 PHE A 84 -1.748 -7.064 1.506 1.00 0.00 C ATOM 1295 CE2 PHE A 84 -0.519 -5.882 3.227 1.00 0.00 C ATOM 1296 CZ PHE A 84 -0.678 -6.998 2.400 1.00 0.00 C ATOM 0 H PHE A 84 -4.608 -1.237 1.205 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.255 -2.939 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.429 -3.131 3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.528 -4.145 2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.497 -6.060 0.741 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.317 -3.961 3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.867 -7.929 0.870 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.310 -5.835 3.918 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.030 -7.812 2.453 1.00 0.00 H new ATOM 1306 N ALA A 85 -3.745 -4.402 -0.852 1.00 0.00 N ATOM 1307 CA ALA A 85 -4.528 -4.921 -1.994 1.00 0.00 C ATOM 1308 C ALA A 85 -4.252 -6.412 -2.172 1.00 0.00 C ATOM 1309 O ALA A 85 -3.237 -6.902 -1.739 1.00 0.00 O ATOM 1310 CB ALA A 85 -4.028 -4.119 -3.195 1.00 0.00 C ATOM 0 H ALA A 85 -2.895 -4.922 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.605 -4.816 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.557 -4.439 -4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.211 -3.058 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.959 -4.287 -3.325 1.00 0.00 H new ATOM 1316 N THR A 86 -5.150 -7.142 -2.787 1.00 0.00 N ATOM 1317 CA THR A 86 -4.928 -8.615 -2.975 1.00 0.00 C ATOM 1318 C THR A 86 -6.237 -9.315 -3.361 1.00 0.00 C ATOM 1319 O THR A 86 -7.195 -8.680 -3.747 1.00 0.00 O ATOM 1320 CB THR A 86 -4.428 -9.141 -1.623 1.00 0.00 C ATOM 1321 OG1 THR A 86 -4.694 -10.529 -1.535 1.00 0.00 O ATOM 1322 CG2 THR A 86 -5.137 -8.412 -0.476 1.00 0.00 C ATOM 0 H THR A 86 -6.027 -6.785 -3.167 1.00 0.00 H new ATOM 0 HA THR A 86 -4.212 -8.808 -3.774 1.00 0.00 H new ATOM 0 HB THR A 86 -3.355 -8.963 -1.545 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.278 -10.702 -0.767 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.774 -8.794 0.478 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.931 -7.344 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.212 -8.579 -0.548 1.00 0.00 H new ATOM 1330 N GLY A 87 -6.281 -10.622 -3.256 1.00 0.00 N ATOM 1331 CA GLY A 87 -7.523 -11.371 -3.613 1.00 0.00 C ATOM 1332 C GLY A 87 -8.762 -10.590 -3.158 1.00 0.00 C ATOM 1333 O GLY A 87 -9.583 -10.197 -3.962 1.00 0.00 O ATOM 0 H GLY A 87 -5.506 -11.203 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.562 -11.533 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.511 -12.354 -3.143 1.00 0.00 H new ATOM 1337 N TYR A 88 -8.907 -10.362 -1.879 1.00 0.00 N ATOM 1338 CA TYR A 88 -10.103 -9.607 -1.393 1.00 0.00 C ATOM 1339 C TYR A 88 -9.838 -8.101 -1.430 1.00 0.00 C ATOM 1340 O TYR A 88 -10.742 -7.299 -1.307 1.00 0.00 O ATOM 1341 CB TYR A 88 -10.338 -10.078 0.051 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.043 -10.053 0.835 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -8.336 -8.857 1.000 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -8.551 -11.233 1.400 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -7.142 -8.843 1.724 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -7.356 -11.220 2.126 1.00 0.00 C ATOM 1347 CZ TYR A 88 -6.650 -10.025 2.287 1.00 0.00 C ATOM 1348 OH TYR A 88 -5.471 -10.009 3.003 1.00 0.00 O ATOM 0 H TYR A 88 -8.256 -10.662 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 88 -10.975 -9.791 -2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -11.075 -9.436 0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -10.749 -11.088 0.048 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.714 -7.943 0.567 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -9.095 -12.157 1.275 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.598 -7.919 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -6.979 -12.133 2.562 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.272 -10.913 3.326 1.00 0.00 H new ATOM 1358 N GLY A 89 -8.605 -7.708 -1.583 1.00 0.00 N ATOM 1359 CA GLY A 89 -8.291 -6.254 -1.608 1.00 0.00 C ATOM 1360 C GLY A 89 -7.981 -5.799 -0.184 1.00 0.00 C ATOM 1361 O GLY A 89 -6.878 -5.388 0.121 1.00 0.00 O ATOM 0 H GLY A 89 -7.803 -8.329 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.439 -6.062 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.134 -5.692 -2.010 1.00 0.00 H new ATOM 1365 N SER A 90 -8.938 -5.888 0.697 1.00 0.00 N ATOM 1366 CA SER A 90 -8.683 -5.481 2.104 1.00 0.00 C ATOM 1367 C SER A 90 -8.972 -6.637 3.063 1.00 0.00 C ATOM 1368 O SER A 90 -9.698 -7.559 2.750 1.00 0.00 O ATOM 1369 CB SER A 90 -9.628 -4.312 2.369 1.00 0.00 C ATOM 1370 OG SER A 90 -8.877 -3.183 2.796 1.00 0.00 O ATOM 0 H SER A 90 -9.882 -6.224 0.503 1.00 0.00 H new ATOM 0 HA SER A 90 -7.641 -5.201 2.259 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.187 -4.070 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.358 -4.586 3.131 1.00 0.00 H new ATOM 0 HG SER A 90 -8.027 -3.153 2.309 1.00 0.00 H new ATOM 1376 N LYS A 91 -8.391 -6.589 4.228 1.00 0.00 N ATOM 1377 CA LYS A 91 -8.596 -7.668 5.227 1.00 0.00 C ATOM 1378 C LYS A 91 -9.024 -7.066 6.569 1.00 0.00 C ATOM 1379 O LYS A 91 -8.273 -7.062 7.524 1.00 0.00 O ATOM 1380 CB LYS A 91 -7.227 -8.352 5.361 1.00 0.00 C ATOM 1381 CG LYS A 91 -6.111 -7.306 5.221 1.00 0.00 C ATOM 1382 CD LYS A 91 -4.871 -7.759 5.990 1.00 0.00 C ATOM 1383 CE LYS A 91 -3.984 -6.543 6.295 1.00 0.00 C ATOM 1384 NZ LYS A 91 -3.998 -5.724 5.049 1.00 0.00 N ATOM 0 H LYS A 91 -7.774 -5.836 4.533 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.375 -8.369 4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.152 -8.851 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.117 -9.120 4.596 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.865 -7.164 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.453 -6.344 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.165 -8.250 6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.314 -8.491 5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.371 -5.977 7.142 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.970 -6.850 6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -3.136 -5.144 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.035 -6.352 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.833 -5.104 5.051 1.00 0.00 H new ATOM 1398 N GLY A 92 -10.218 -6.545 6.647 1.00 0.00 N ATOM 1399 CA GLY A 92 -10.676 -5.935 7.928 1.00 0.00 C ATOM 1400 C GLY A 92 -9.652 -4.891 8.374 1.00 0.00 C ATOM 1401 O GLY A 92 -9.592 -4.514 9.528 1.00 0.00 O ATOM 0 H GLY A 92 -10.893 -6.515 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.654 -5.472 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.788 -6.704 8.693 1.00 0.00 H new ATOM 1405 N LEU A 93 -8.840 -4.431 7.464 1.00 0.00 N ATOM 1406 CA LEU A 93 -7.806 -3.422 7.819 1.00 0.00 C ATOM 1407 C LEU A 93 -8.419 -2.194 8.507 1.00 0.00 C ATOM 1408 O LEU A 93 -9.309 -1.544 7.998 1.00 0.00 O ATOM 1409 CB LEU A 93 -7.110 -3.062 6.489 1.00 0.00 C ATOM 1410 CG LEU A 93 -8.004 -2.224 5.547 1.00 0.00 C ATOM 1411 CD1 LEU A 93 -9.443 -2.755 5.507 1.00 0.00 C ATOM 1412 CD2 LEU A 93 -8.002 -0.762 5.997 1.00 0.00 C ATOM 0 H LEU A 93 -8.849 -4.713 6.484 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.092 -3.816 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.196 -2.507 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.815 -3.979 5.980 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.593 -2.301 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.040 -2.139 4.834 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.441 -3.785 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.872 -2.719 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.634 -0.175 5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.387 -0.694 7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.984 -0.374 5.968 1.00 0.00 H new ATOM 1424 N ASP A 94 -7.936 -1.870 9.674 1.00 0.00 N ATOM 1425 CA ASP A 94 -8.464 -0.683 10.397 1.00 0.00 C ATOM 1426 C ASP A 94 -7.438 0.440 10.294 1.00 0.00 C ATOM 1427 O ASP A 94 -6.251 0.211 10.415 1.00 0.00 O ATOM 1428 CB ASP A 94 -8.635 -1.133 11.851 1.00 0.00 C ATOM 1429 CG ASP A 94 -7.272 -1.505 12.437 1.00 0.00 C ATOM 1430 OD1 ASP A 94 -6.890 -2.656 12.315 1.00 0.00 O ATOM 1431 OD2 ASP A 94 -6.632 -0.630 13.000 1.00 0.00 O ATOM 0 H ASP A 94 -7.196 -2.379 10.158 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.407 -0.317 9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.089 -0.335 12.438 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.309 -1.988 11.901 1.00 0.00 H new ATOM 1436 N THR A 95 -7.867 1.643 10.050 1.00 0.00 N ATOM 1437 CA THR A 95 -6.879 2.747 9.919 1.00 0.00 C ATOM 1438 C THR A 95 -7.576 4.073 9.633 1.00 0.00 C ATOM 1439 O THR A 95 -8.783 4.188 9.717 1.00 0.00 O ATOM 1440 CB THR A 95 -6.029 2.336 8.720 1.00 0.00 C ATOM 1441 OG1 THR A 95 -5.188 3.409 8.337 1.00 0.00 O ATOM 1442 CG2 THR A 95 -6.942 1.956 7.554 1.00 0.00 C ATOM 0 H THR A 95 -8.845 1.909 9.937 1.00 0.00 H new ATOM 0 HA THR A 95 -6.298 2.893 10.830 1.00 0.00 H new ATOM 0 HB THR A 95 -5.412 1.479 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.751 3.194 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.335 1.662 6.697 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.581 1.123 7.849 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.562 2.811 7.284 1.00 0.00 H new ATOM 1450 N ARG A 96 -6.818 5.069 9.276 1.00 0.00 N ATOM 1451 CA ARG A 96 -7.420 6.389 8.961 1.00 0.00 C ATOM 1452 C ARG A 96 -7.900 6.393 7.508 1.00 0.00 C ATOM 1453 O ARG A 96 -8.386 7.387 7.007 1.00 0.00 O ATOM 1454 CB ARG A 96 -6.290 7.405 9.156 1.00 0.00 C ATOM 1455 CG ARG A 96 -5.541 7.113 10.461 1.00 0.00 C ATOM 1456 CD ARG A 96 -6.504 7.236 11.644 1.00 0.00 C ATOM 1457 NE ARG A 96 -5.711 6.808 12.831 1.00 0.00 N ATOM 1458 CZ ARG A 96 -5.574 5.540 13.104 1.00 0.00 C ATOM 1459 NH1 ARG A 96 -6.573 4.867 13.603 1.00 0.00 N ATOM 1460 NH2 ARG A 96 -4.436 4.946 12.882 1.00 0.00 N ATOM 0 H ARG A 96 -5.803 5.024 9.189 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.278 6.620 9.592 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.600 7.360 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.698 8.415 9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.113 6.111 10.430 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.712 7.810 10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.863 8.259 11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.381 6.604 11.506 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.275 7.508 13.431 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -7.463 5.332 13.780 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.464 3.875 13.816 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.653 5.473 12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.328 3.954 13.095 1.00 0.00 H new ATOM 1474 N TYR A 97 -7.758 5.287 6.820 1.00 0.00 N ATOM 1475 CA TYR A 97 -8.202 5.243 5.394 1.00 0.00 C ATOM 1476 C TYR A 97 -9.702 4.943 5.297 1.00 0.00 C ATOM 1477 O TYR A 97 -10.218 4.679 4.231 1.00 0.00 O ATOM 1478 CB TYR A 97 -7.387 4.120 4.755 1.00 0.00 C ATOM 1479 CG TYR A 97 -5.978 4.606 4.528 1.00 0.00 C ATOM 1480 CD1 TYR A 97 -5.120 4.788 5.617 1.00 0.00 C ATOM 1481 CD2 TYR A 97 -5.534 4.884 3.231 1.00 0.00 C ATOM 1482 CE1 TYR A 97 -3.814 5.250 5.410 1.00 0.00 C ATOM 1483 CE2 TYR A 97 -4.229 5.343 3.022 1.00 0.00 C ATOM 1484 CZ TYR A 97 -3.368 5.527 4.111 1.00 0.00 C ATOM 1485 OH TYR A 97 -2.083 5.986 3.905 1.00 0.00 O ATOM 0 H TYR A 97 -7.358 4.421 7.180 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.045 6.198 4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.383 3.242 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.838 3.818 3.810 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -5.464 4.572 6.618 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.198 4.744 2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -3.151 5.393 6.251 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.885 5.556 2.020 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.445 5.372 4.326 1.00 0.00 H new ATOM 1495 N SER A 98 -10.405 4.981 6.396 1.00 0.00 N ATOM 1496 CA SER A 98 -11.870 4.700 6.358 1.00 0.00 C ATOM 1497 C SER A 98 -12.127 3.270 5.870 1.00 0.00 C ATOM 1498 O SER A 98 -13.249 2.886 5.606 1.00 0.00 O ATOM 1499 CB SER A 98 -12.451 5.728 5.388 1.00 0.00 C ATOM 1500 OG SER A 98 -12.988 6.815 6.130 1.00 0.00 O ATOM 0 H SER A 98 -10.029 5.195 7.320 1.00 0.00 H new ATOM 0 HA SER A 98 -12.331 4.776 7.343 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.677 6.083 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.228 5.270 4.776 1.00 0.00 H new ATOM 0 HG SER A 98 -13.626 7.308 5.573 1.00 0.00 H new ATOM 1506 N ASN A 99 -11.098 2.470 5.785 1.00 0.00 N ATOM 1507 CA ASN A 99 -11.273 1.051 5.357 1.00 0.00 C ATOM 1508 C ASN A 99 -11.960 0.931 3.994 1.00 0.00 C ATOM 1509 O ASN A 99 -12.586 -0.067 3.696 1.00 0.00 O ATOM 1510 CB ASN A 99 -12.123 0.449 6.469 1.00 0.00 C ATOM 1511 CG ASN A 99 -11.261 0.304 7.724 1.00 0.00 C ATOM 1512 OD1 ASN A 99 -10.048 0.799 7.730 1.00 0.00 O flip ATOM 1513 ND2 ASN A 99 -11.691 -0.263 8.710 1.00 0.00 N flip ATOM 0 H ASN A 99 -10.137 2.740 5.995 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.320 0.540 5.222 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.983 1.086 6.674 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.511 -0.523 6.163 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -12.635 -0.648 8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.107 -0.353 9.542 1.00 0.00 H new ATOM 1520 N ILE A 100 -11.846 1.925 3.158 1.00 0.00 N ATOM 1521 CA ILE A 100 -12.502 1.819 1.811 1.00 0.00 C ATOM 1522 C ILE A 100 -11.501 1.783 0.628 1.00 0.00 C ATOM 1523 O ILE A 100 -11.844 1.259 -0.413 1.00 0.00 O ATOM 1524 CB ILE A 100 -13.441 3.025 1.669 1.00 0.00 C ATOM 1525 CG1 ILE A 100 -12.632 4.307 1.384 1.00 0.00 C ATOM 1526 CG2 ILE A 100 -14.299 3.180 2.930 1.00 0.00 C ATOM 1527 CD1 ILE A 100 -12.247 5.015 2.682 1.00 0.00 C ATOM 0 H ILE A 100 -11.339 2.792 3.337 1.00 0.00 H new ATOM 0 HA ILE A 100 -13.038 0.871 1.764 1.00 0.00 H new ATOM 0 HB ILE A 100 -14.108 2.855 0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.732 4.055 0.823 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -13.219 4.980 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -14.961 4.039 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -14.895 2.280 3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -13.652 3.332 3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.678 5.915 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.149 5.287 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -11.639 4.348 3.294 1.00 0.00 H new ATOM 1539 N PRO A 101 -10.314 2.341 0.776 1.00 0.00 N ATOM 1540 CA PRO A 101 -9.359 2.336 -0.359 1.00 0.00 C ATOM 1541 C PRO A 101 -8.678 0.973 -0.482 1.00 0.00 C ATOM 1542 O PRO A 101 -7.483 0.841 -0.310 1.00 0.00 O ATOM 1543 CB PRO A 101 -8.354 3.420 0.005 1.00 0.00 C ATOM 1544 CG PRO A 101 -8.400 3.519 1.496 1.00 0.00 C ATOM 1545 CD PRO A 101 -9.744 3.005 1.954 1.00 0.00 C ATOM 0 HA PRO A 101 -9.839 2.519 -1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.353 3.160 -0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.615 4.370 -0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.596 2.934 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.258 4.552 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.639 2.310 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.383 3.819 2.297 1.00 0.00 H new ATOM 1553 N LEU A 102 -9.434 -0.040 -0.781 1.00 0.00 N ATOM 1554 CA LEU A 102 -8.833 -1.406 -0.920 1.00 0.00 C ATOM 1555 C LEU A 102 -9.013 -1.948 -2.337 1.00 0.00 C ATOM 1556 O LEU A 102 -9.966 -1.629 -3.019 1.00 0.00 O ATOM 1557 CB LEU A 102 -9.546 -2.286 0.132 1.00 0.00 C ATOM 1558 CG LEU A 102 -10.951 -2.762 -0.321 1.00 0.00 C ATOM 1559 CD1 LEU A 102 -11.822 -1.587 -0.766 1.00 0.00 C ATOM 1560 CD2 LEU A 102 -10.827 -3.777 -1.462 1.00 0.00 C ATOM 0 H LEU A 102 -10.441 0.010 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.756 -1.392 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.927 -3.157 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.642 -1.724 1.061 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.431 -3.237 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.799 -1.956 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.944 -0.890 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.344 -1.076 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.821 -4.102 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.319 -3.313 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.253 -4.639 -1.122 1.00 0.00 H new ATOM 1572 N LEU A 103 -8.101 -2.769 -2.798 1.00 0.00 N ATOM 1573 CA LEU A 103 -8.259 -3.315 -4.191 1.00 0.00 C ATOM 1574 C LEU A 103 -7.287 -4.475 -4.445 1.00 0.00 C ATOM 1575 O LEU A 103 -6.490 -4.810 -3.608 1.00 0.00 O ATOM 1576 CB LEU A 103 -7.973 -2.139 -5.148 1.00 0.00 C ATOM 1577 CG LEU A 103 -7.118 -1.064 -4.462 1.00 0.00 C ATOM 1578 CD1 LEU A 103 -5.868 -1.709 -3.878 1.00 0.00 C ATOM 1579 CD2 LEU A 103 -6.706 0.001 -5.482 1.00 0.00 C ATOM 0 H LEU A 103 -7.274 -3.081 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.261 -3.716 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.458 -2.506 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.914 -1.701 -5.483 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.699 -0.597 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.259 -0.947 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.156 -2.465 -3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.293 -2.176 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.100 0.761 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.127 -0.464 -6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.598 0.465 -5.904 1.00 0.00 H new ATOM 1591 N THR A 104 -7.354 -5.099 -5.595 1.00 0.00 N ATOM 1592 CA THR A 104 -6.426 -6.233 -5.883 1.00 0.00 C ATOM 1593 C THR A 104 -5.581 -5.922 -7.119 1.00 0.00 C ATOM 1594 O THR A 104 -5.088 -6.809 -7.788 1.00 0.00 O ATOM 1595 CB THR A 104 -7.313 -7.456 -6.143 1.00 0.00 C ATOM 1596 OG1 THR A 104 -6.489 -8.607 -6.273 1.00 0.00 O ATOM 1597 CG2 THR A 104 -8.108 -7.255 -7.433 1.00 0.00 C ATOM 0 H THR A 104 -8.009 -4.872 -6.343 1.00 0.00 H new ATOM 0 HA THR A 104 -5.741 -6.407 -5.053 1.00 0.00 H new ATOM 0 HB THR A 104 -8.006 -7.586 -5.312 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.710 -8.391 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.737 -8.127 -7.613 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.735 -6.369 -7.339 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.420 -7.126 -8.268 1.00 0.00 H new ATOM 1605 N LYS A 105 -5.412 -4.672 -7.426 1.00 0.00 N ATOM 1606 CA LYS A 105 -4.599 -4.301 -8.616 1.00 0.00 C ATOM 1607 C LYS A 105 -5.185 -4.901 -9.906 1.00 0.00 C ATOM 1608 O LYS A 105 -4.451 -5.364 -10.757 1.00 0.00 O ATOM 1609 CB LYS A 105 -3.211 -4.872 -8.330 1.00 0.00 C ATOM 1610 CG LYS A 105 -2.293 -3.748 -7.847 1.00 0.00 C ATOM 1611 CD LYS A 105 -1.746 -4.096 -6.460 1.00 0.00 C ATOM 1612 CE LYS A 105 -0.218 -4.150 -6.507 1.00 0.00 C ATOM 1613 NZ LYS A 105 0.105 -5.390 -7.269 1.00 0.00 N ATOM 0 H LYS A 105 -5.802 -3.887 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.579 -3.223 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.276 -5.655 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -2.801 -5.331 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.471 -3.608 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.842 -2.807 -7.808 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.071 -3.352 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.144 -5.057 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.192 -3.268 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.206 -4.183 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.850 -5.918 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.747 -5.982 -7.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.437 -5.136 -8.221 1.00 0.00 H new ATOM 1627 N PRO A 106 -6.490 -4.845 -10.025 1.00 0.00 N ATOM 1628 CA PRO A 106 -7.163 -5.353 -11.245 1.00 0.00 C ATOM 1629 C PRO A 106 -6.962 -4.352 -12.392 1.00 0.00 C ATOM 1630 O PRO A 106 -7.273 -4.626 -13.534 1.00 0.00 O ATOM 1631 CB PRO A 106 -8.633 -5.431 -10.842 1.00 0.00 C ATOM 1632 CG PRO A 106 -8.786 -4.435 -9.735 1.00 0.00 C ATOM 1633 CD PRO A 106 -7.448 -4.323 -9.049 1.00 0.00 C ATOM 0 HA PRO A 106 -6.778 -6.312 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.285 -5.191 -11.682 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -8.898 -6.435 -10.509 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.099 -3.468 -10.128 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.554 -4.757 -9.031 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.223 -3.290 -8.785 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.427 -4.900 -8.124 1.00 0.00 H new ATOM 1641 N PHE A 107 -6.436 -3.192 -12.084 1.00 0.00 N ATOM 1642 CA PHE A 107 -6.194 -2.154 -13.130 1.00 0.00 C ATOM 1643 C PHE A 107 -7.510 -1.762 -13.811 1.00 0.00 C ATOM 1644 O PHE A 107 -7.550 -1.467 -14.990 1.00 0.00 O ATOM 1645 CB PHE A 107 -5.222 -2.801 -14.122 1.00 0.00 C ATOM 1646 CG PHE A 107 -3.815 -2.746 -13.560 1.00 0.00 C ATOM 1647 CD1 PHE A 107 -3.571 -3.149 -12.240 1.00 0.00 C ATOM 1648 CD2 PHE A 107 -2.754 -2.294 -14.356 1.00 0.00 C ATOM 1649 CE1 PHE A 107 -2.275 -3.101 -11.717 1.00 0.00 C ATOM 1650 CE2 PHE A 107 -1.455 -2.246 -13.830 1.00 0.00 C ATOM 1651 CZ PHE A 107 -1.216 -2.650 -12.511 1.00 0.00 C ATOM 0 H PHE A 107 -6.161 -2.918 -11.141 1.00 0.00 H new ATOM 0 HA PHE A 107 -5.782 -1.235 -12.713 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -5.511 -3.836 -14.308 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -5.263 -2.281 -15.079 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.387 -3.498 -11.624 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.937 -1.983 -15.374 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.092 -3.412 -10.699 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -0.638 -1.897 -14.443 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.215 -2.613 -12.107 1.00 0.00 H new ATOM 1661 N LEU A 108 -8.582 -1.745 -13.065 1.00 0.00 N ATOM 1662 CA LEU A 108 -9.905 -1.364 -13.643 1.00 0.00 C ATOM 1663 C LEU A 108 -10.479 -0.165 -12.880 1.00 0.00 C ATOM 1664 O LEU A 108 -10.392 0.968 -13.310 1.00 0.00 O ATOM 1665 CB LEU A 108 -10.793 -2.588 -13.422 1.00 0.00 C ATOM 1666 CG LEU A 108 -10.910 -3.390 -14.717 1.00 0.00 C ATOM 1667 CD1 LEU A 108 -9.533 -3.914 -15.123 1.00 0.00 C ATOM 1668 CD2 LEU A 108 -11.855 -4.570 -14.488 1.00 0.00 C ATOM 0 H LEU A 108 -8.599 -1.980 -12.073 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.834 -1.084 -14.694 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.374 -3.214 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -11.782 -2.274 -13.088 1.00 0.00 H new ATOM 0 HG LEU A 108 -11.300 -2.751 -15.510 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.619 -4.486 -16.047 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.855 -3.074 -15.278 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.141 -4.556 -14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.944 -5.148 -15.408 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.458 -5.206 -13.697 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.837 -4.198 -14.196 1.00 0.00 H new ATOM 1680 N ASP A 109 -11.064 -0.424 -11.744 1.00 0.00 N ATOM 1681 CA ASP A 109 -11.656 0.666 -10.914 1.00 0.00 C ATOM 1682 C ASP A 109 -11.043 0.632 -9.508 1.00 0.00 C ATOM 1683 O ASP A 109 -11.517 1.270 -8.589 1.00 0.00 O ATOM 1684 CB ASP A 109 -13.149 0.347 -10.852 1.00 0.00 C ATOM 1685 CG ASP A 109 -13.949 1.649 -10.803 1.00 0.00 C ATOM 1686 OD1 ASP A 109 -13.962 2.350 -11.800 1.00 0.00 O ATOM 1687 OD2 ASP A 109 -14.533 1.923 -9.767 1.00 0.00 O ATOM 0 H ASP A 109 -11.159 -1.359 -11.348 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.469 1.657 -11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.442 -0.240 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.366 -0.258 -9.972 1.00 0.00 H new ATOM 1692 N SER A 110 -10.015 -0.148 -9.340 1.00 0.00 N ATOM 1693 CA SER A 110 -9.364 -0.293 -8.007 1.00 0.00 C ATOM 1694 C SER A 110 -8.445 0.889 -7.665 1.00 0.00 C ATOM 1695 O SER A 110 -8.779 1.734 -6.858 1.00 0.00 O ATOM 1696 CB SER A 110 -8.539 -1.559 -8.169 1.00 0.00 C ATOM 1697 OG SER A 110 -9.107 -2.601 -7.386 1.00 0.00 O ATOM 0 H SER A 110 -9.589 -0.702 -10.083 1.00 0.00 H new ATOM 0 HA SER A 110 -10.095 -0.328 -7.199 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.509 -1.854 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.510 -1.377 -7.859 1.00 0.00 H new ATOM 0 HG SER A 110 -9.960 -2.879 -7.780 1.00 0.00 H new ATOM 1703 N GLU A 111 -7.278 0.927 -8.252 1.00 0.00 N ATOM 1704 CA GLU A 111 -6.301 2.019 -7.951 1.00 0.00 C ATOM 1705 C GLU A 111 -7.012 3.351 -7.719 1.00 0.00 C ATOM 1706 O GLU A 111 -6.800 4.021 -6.722 1.00 0.00 O ATOM 1707 CB GLU A 111 -5.409 2.102 -9.190 1.00 0.00 C ATOM 1708 CG GLU A 111 -4.039 1.498 -8.873 1.00 0.00 C ATOM 1709 CD GLU A 111 -3.777 0.306 -9.795 1.00 0.00 C ATOM 1710 OE1 GLU A 111 -3.855 0.486 -10.998 1.00 0.00 O ATOM 1711 OE2 GLU A 111 -3.503 -0.766 -9.282 1.00 0.00 O ATOM 0 H GLU A 111 -6.955 0.241 -8.935 1.00 0.00 H new ATOM 0 HA GLU A 111 -5.735 1.812 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.871 1.568 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.297 3.140 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.260 2.249 -9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.003 1.179 -7.831 1.00 0.00 H new ATOM 1718 N LEU A 112 -7.843 3.749 -8.632 1.00 0.00 N ATOM 1719 CA LEU A 112 -8.553 5.048 -8.459 1.00 0.00 C ATOM 1720 C LEU A 112 -9.100 5.173 -7.031 1.00 0.00 C ATOM 1721 O LEU A 112 -8.731 6.070 -6.302 1.00 0.00 O ATOM 1722 CB LEU A 112 -9.691 5.056 -9.487 1.00 0.00 C ATOM 1723 CG LEU A 112 -10.239 3.646 -9.703 1.00 0.00 C ATOM 1724 CD1 LEU A 112 -11.767 3.690 -9.696 1.00 0.00 C ATOM 1725 CD2 LEU A 112 -9.748 3.120 -11.052 1.00 0.00 C ATOM 0 H LEU A 112 -8.064 3.239 -9.487 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.883 5.893 -8.614 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -10.491 5.713 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.329 5.459 -10.433 1.00 0.00 H new ATOM 0 HG LEU A 112 -9.893 2.988 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.161 2.685 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.116 4.073 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.116 4.343 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.135 2.114 -11.213 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.100 3.776 -11.848 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.658 3.095 -11.058 1.00 0.00 H new ATOM 1737 N GLU A 113 -9.978 4.289 -6.627 1.00 0.00 N ATOM 1738 CA GLU A 113 -10.545 4.371 -5.244 1.00 0.00 C ATOM 1739 C GLU A 113 -9.461 4.765 -4.240 1.00 0.00 C ATOM 1740 O GLU A 113 -9.608 5.709 -3.489 1.00 0.00 O ATOM 1741 CB GLU A 113 -11.063 2.966 -4.926 1.00 0.00 C ATOM 1742 CG GLU A 113 -12.321 3.076 -4.062 1.00 0.00 C ATOM 1743 CD GLU A 113 -13.098 1.761 -4.124 1.00 0.00 C ATOM 1744 OE1 GLU A 113 -13.380 1.315 -5.223 1.00 0.00 O ATOM 1745 OE2 GLU A 113 -13.396 1.222 -3.070 1.00 0.00 O ATOM 0 H GLU A 113 -10.327 3.515 -7.193 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.332 5.122 -5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.287 2.431 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.297 2.393 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.048 3.302 -3.031 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.946 3.897 -4.413 1.00 0.00 H new ATOM 1752 N ALA A 114 -8.377 4.044 -4.218 1.00 0.00 N ATOM 1753 CA ALA A 114 -7.283 4.366 -3.261 1.00 0.00 C ATOM 1754 C ALA A 114 -7.045 5.877 -3.197 1.00 0.00 C ATOM 1755 O ALA A 114 -6.837 6.436 -2.139 1.00 0.00 O ATOM 1756 CB ALA A 114 -6.050 3.662 -3.825 1.00 0.00 C ATOM 0 H ALA A 114 -8.200 3.242 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 114 -7.521 4.042 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.195 3.850 -3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.236 2.589 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.838 4.044 -4.824 1.00 0.00 H new ATOM 1762 N VAL A 115 -7.055 6.539 -4.320 1.00 0.00 N ATOM 1763 CA VAL A 115 -6.807 8.013 -4.314 1.00 0.00 C ATOM 1764 C VAL A 115 -8.111 8.802 -4.496 1.00 0.00 C ATOM 1765 O VAL A 115 -8.232 9.926 -4.051 1.00 0.00 O ATOM 1766 CB VAL A 115 -5.866 8.250 -5.494 1.00 0.00 C ATOM 1767 CG1 VAL A 115 -5.610 9.747 -5.656 1.00 0.00 C ATOM 1768 CG2 VAL A 115 -4.539 7.536 -5.234 1.00 0.00 C ATOM 0 H VAL A 115 -7.223 6.129 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 115 -6.384 8.348 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.322 7.860 -6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.938 9.912 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.554 10.260 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -5.154 10.139 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.865 7.703 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -4.087 7.928 -4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.717 6.467 -5.119 1.00 0.00 H new ATOM 1778 N LEU A 116 -9.080 8.227 -5.151 1.00 0.00 N ATOM 1779 CA LEU A 116 -10.374 8.944 -5.371 1.00 0.00 C ATOM 1780 C LEU A 116 -11.094 9.184 -4.044 1.00 0.00 C ATOM 1781 O LEU A 116 -11.829 10.136 -3.881 1.00 0.00 O ATOM 1782 CB LEU A 116 -11.195 7.991 -6.235 1.00 0.00 C ATOM 1783 CG LEU A 116 -11.745 8.733 -7.450 1.00 0.00 C ATOM 1784 CD1 LEU A 116 -12.305 10.093 -7.022 1.00 0.00 C ATOM 1785 CD2 LEU A 116 -10.624 8.939 -8.472 1.00 0.00 C ATOM 0 H LEU A 116 -9.035 7.288 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.226 9.920 -5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.575 7.155 -6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -12.015 7.573 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.544 8.143 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -12.696 10.617 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -13.107 9.945 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -11.512 10.687 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -11.016 9.469 -9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -9.823 9.525 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -10.234 7.970 -8.784 1.00 0.00 H new ATOM 1797 N VAL A 117 -10.913 8.301 -3.113 1.00 0.00 N ATOM 1798 CA VAL A 117 -11.600 8.434 -1.796 1.00 0.00 C ATOM 1799 C VAL A 117 -10.946 9.507 -0.910 1.00 0.00 C ATOM 1800 O VAL A 117 -11.481 9.874 0.117 1.00 0.00 O ATOM 1801 CB VAL A 117 -11.442 7.059 -1.155 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -9.958 6.784 -0.896 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -12.207 7.020 0.166 1.00 0.00 C ATOM 0 H VAL A 117 -10.313 7.481 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.639 8.741 -1.915 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.840 6.298 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -9.845 5.801 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -9.413 6.809 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.558 7.545 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.094 6.037 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.811 7.781 0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.263 7.214 -0.019 1.00 0.00 H new ATOM 1813 N GLN A 118 -9.794 10.002 -1.271 1.00 0.00 N ATOM 1814 CA GLN A 118 -9.142 11.024 -0.399 1.00 0.00 C ATOM 1815 C GLN A 118 -9.064 12.389 -1.077 1.00 0.00 C ATOM 1816 O GLN A 118 -8.120 13.131 -0.890 1.00 0.00 O ATOM 1817 CB GLN A 118 -7.751 10.476 -0.121 1.00 0.00 C ATOM 1818 CG GLN A 118 -7.849 9.480 1.028 1.00 0.00 C ATOM 1819 CD GLN A 118 -8.390 10.188 2.271 1.00 0.00 C ATOM 1820 OE1 GLN A 118 -9.659 10.086 2.560 1.00 0.00 O flip ATOM 1821 NE2 GLN A 118 -7.654 10.839 2.986 1.00 0.00 N flip ATOM 0 H GLN A 118 -9.282 9.750 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.714 11.186 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -7.349 9.991 -1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.068 11.286 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.505 8.654 0.753 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -6.868 9.052 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.663 10.918 2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.028 11.306 3.812 1.00 0.00 H new ATOM 1830 N ILE A 119 -10.065 12.745 -1.826 1.00 0.00 N ATOM 1831 CA ILE A 119 -10.065 14.086 -2.473 1.00 0.00 C ATOM 1832 C ILE A 119 -11.221 14.892 -1.890 1.00 0.00 C ATOM 1833 O ILE A 119 -11.684 15.856 -2.468 1.00 0.00 O ATOM 1834 CB ILE A 119 -10.259 13.857 -3.981 1.00 0.00 C ATOM 1835 CG1 ILE A 119 -11.059 12.577 -4.235 1.00 0.00 C ATOM 1836 CG2 ILE A 119 -8.894 13.733 -4.657 1.00 0.00 C ATOM 1837 CD1 ILE A 119 -12.485 12.751 -3.710 1.00 0.00 C ATOM 0 H ILE A 119 -10.883 12.168 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 119 -9.138 14.633 -2.301 1.00 0.00 H new ATOM 0 HB ILE A 119 -10.807 14.705 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.078 12.354 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -10.579 11.732 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -9.031 13.571 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -8.325 14.649 -4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.351 12.890 -4.229 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.053 11.839 -3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.456 12.954 -2.639 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.963 13.585 -4.224 1.00 0.00 H new ATOM 1849 N SER A 120 -11.692 14.491 -0.737 1.00 0.00 N ATOM 1850 CA SER A 120 -12.825 15.220 -0.100 1.00 0.00 C ATOM 1851 C SER A 120 -13.110 14.655 1.294 1.00 0.00 C ATOM 1852 O SER A 120 -12.578 15.118 2.284 1.00 0.00 O ATOM 1853 CB SER A 120 -14.019 14.975 -1.021 1.00 0.00 C ATOM 1854 OG SER A 120 -13.808 13.775 -1.753 1.00 0.00 O ATOM 0 H SER A 120 -11.340 13.691 -0.211 1.00 0.00 H new ATOM 0 HA SER A 120 -12.609 16.281 0.025 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.936 14.901 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.144 15.815 -1.705 1.00 0.00 H new ATOM 0 HG SER A 120 -14.573 13.614 -2.344 1.00 0.00 H new ATOM 1860 N LYS A 121 -13.957 13.664 1.379 1.00 0.00 N ATOM 1861 CA LYS A 121 -14.292 13.075 2.707 1.00 0.00 C ATOM 1862 C LYS A 121 -15.143 14.062 3.506 1.00 0.00 C ATOM 1863 O LYS A 121 -14.655 15.061 3.991 1.00 0.00 O ATOM 1864 CB LYS A 121 -12.949 12.828 3.399 1.00 0.00 C ATOM 1865 CG LYS A 121 -12.854 11.357 3.809 1.00 0.00 C ATOM 1866 CD LYS A 121 -12.961 11.242 5.331 1.00 0.00 C ATOM 1867 CE LYS A 121 -11.963 10.196 5.833 1.00 0.00 C ATOM 1868 NZ LYS A 121 -11.447 10.744 7.119 1.00 0.00 N ATOM 0 H LYS A 121 -14.432 13.237 0.584 1.00 0.00 H new ATOM 0 HA LYS A 121 -14.865 12.152 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -12.129 13.084 2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -12.856 13.469 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -13.650 10.784 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -11.909 10.934 3.467 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -12.757 12.207 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -13.975 10.959 5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -12.445 9.229 5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -11.156 10.044 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -10.756 10.082 7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -10.988 11.661 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -12.237 10.872 7.784 1.00 0.00 H new ATOM 1882 N GLU A 122 -16.419 13.795 3.619 1.00 0.00 N ATOM 1883 CA GLU A 122 -17.331 14.716 4.361 1.00 0.00 C ATOM 1884 C GLU A 122 -17.155 16.143 3.850 1.00 0.00 C ATOM 1885 O GLU A 122 -17.493 17.098 4.519 1.00 0.00 O ATOM 1886 CB GLU A 122 -16.957 14.574 5.848 1.00 0.00 C ATOM 1887 CG GLU A 122 -15.797 15.506 6.233 1.00 0.00 C ATOM 1888 CD GLU A 122 -16.172 16.283 7.497 1.00 0.00 C ATOM 1889 OE1 GLU A 122 -16.538 15.649 8.473 1.00 0.00 O ATOM 1890 OE2 GLU A 122 -16.088 17.499 7.466 1.00 0.00 O ATOM 0 H GLU A 122 -16.872 12.970 3.225 1.00 0.00 H new ATOM 0 HA GLU A 122 -18.383 14.470 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -17.826 14.801 6.465 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -16.679 13.541 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -14.890 14.926 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -15.584 16.197 5.417 1.00 0.00 H new ATOM 1897 N VAL A 123 -16.635 16.273 2.658 1.00 0.00 N ATOM 1898 CA VAL A 123 -16.420 17.617 2.047 1.00 0.00 C ATOM 1899 C VAL A 123 -16.163 18.682 3.118 1.00 0.00 C ATOM 1900 O VAL A 123 -15.021 18.825 3.523 1.00 0.00 O ATOM 1901 CB VAL A 123 -17.709 17.917 1.282 1.00 0.00 C ATOM 1902 CG1 VAL A 123 -17.737 17.094 -0.008 1.00 0.00 C ATOM 1903 CG2 VAL A 123 -18.915 17.547 2.149 1.00 0.00 C ATOM 0 H VAL A 123 -16.345 15.490 2.072 1.00 0.00 H new ATOM 0 HA VAL A 123 -15.545 17.627 1.398 1.00 0.00 H new ATOM 0 HB VAL A 123 -17.749 18.979 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -18.655 17.306 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -16.878 17.356 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -17.698 16.033 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -19.834 17.761 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -18.876 16.485 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -18.895 18.131 3.069 1.00 0.00 H new TER 1913 VAL A 123 HETATM 1914 CA CA A 201 1.465 -9.802 -8.352 1.00 0.00 CA HETATM 1915 BE BEF A 202 -1.086 -8.824 -6.641 1.00 0.00 BE HETATM 1916 F1 BEF A 202 0.160 -8.088 -6.192 1.00 0.00 F HETATM 1917 F2 BEF A 202 -0.324 -7.699 -7.938 1.00 0.00 F HETATM 1918 F3 BEF A 202 -0.763 -9.514 -7.814 1.00 0.00 F