USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 579 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00112 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 15 CYS SG : rot 23:sc= 0.363 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0.203 K(o=0.2,f=-5.5!) USER MOD Single : A 24 ASN : amide:sc= -0.0084 K(o=-0.0084,f=-2.5!) USER MOD Single : A 25 TYR OH : rot -30:sc= -1.02 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.6 X(o=-1.6,f=-1.9) USER MOD Single : A 38 LYS NZ :NH3+ -107:sc= 0.0213 (180deg=-0.08) USER MOD Single : A 41 GLN : amide:sc= -0.0676 K(o=-0.068,f=-1.6!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 36:sc= 0.341 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot -160:sc= -0.434 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.0106 USER MOD Single : A 66 SER OG : rot 31:sc= 0.421 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 57:sc= 0.0182 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.669 9.423 -2.056 1.00 0.00 N ATOM 2 CA GLY A 1 -2.514 10.130 -2.577 1.00 0.00 C ATOM 3 C GLY A 1 -1.432 10.321 -1.533 1.00 0.00 C ATOM 4 O GLY A 1 -1.146 11.446 -1.123 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.380 9.318 -2.808 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.378 8.483 -1.720 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.078 9.961 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.105 9.578 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.827 11.104 -2.954 1.00 0.00 H new ATOM 8 N SER A 2 -0.829 9.219 -1.099 1.00 0.00 N ATOM 9 CA SER A 2 0.225 9.269 -0.092 1.00 0.00 C ATOM 10 C SER A 2 1.560 8.824 -0.680 1.00 0.00 C ATOM 11 O SER A 2 2.000 7.694 -0.464 1.00 0.00 O ATOM 12 CB SER A 2 -0.140 8.385 1.102 1.00 0.00 C ATOM 13 OG SER A 2 -0.916 7.271 0.695 1.00 0.00 O ATOM 0 H SER A 2 -1.052 8.280 -1.429 1.00 0.00 H new ATOM 0 HA SER A 2 0.323 10.301 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.769 8.038 1.593 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.695 8.970 1.835 1.00 0.00 H new ATOM 0 HG SER A 2 -1.134 6.721 1.476 1.00 0.00 H new ATOM 19 N SER A 3 2.200 9.720 -1.424 1.00 0.00 N ATOM 20 CA SER A 3 3.484 9.419 -2.047 1.00 0.00 C ATOM 21 C SER A 3 4.604 9.423 -1.012 1.00 0.00 C ATOM 22 O SER A 3 5.391 8.481 -0.929 1.00 0.00 O ATOM 23 CB SER A 3 3.790 10.435 -3.150 1.00 0.00 C ATOM 24 OG SER A 3 3.535 11.757 -2.710 1.00 0.00 O ATOM 0 H SER A 3 1.851 10.660 -1.610 1.00 0.00 H new ATOM 0 HA SER A 3 3.422 8.423 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.833 10.344 -3.453 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.182 10.217 -4.028 1.00 0.00 H new ATOM 0 HG SER A 3 3.740 12.387 -3.432 1.00 0.00 H new ATOM 30 N GLY A 4 4.670 10.492 -0.224 1.00 0.00 N ATOM 31 CA GLY A 4 5.697 10.600 0.796 1.00 0.00 C ATOM 32 C GLY A 4 5.171 11.193 2.088 1.00 0.00 C ATOM 33 O GLY A 4 4.786 12.361 2.132 1.00 0.00 O ATOM 0 H GLY A 4 4.031 11.285 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.112 9.612 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.513 11.218 0.422 1.00 0.00 H new ATOM 37 N SER A 5 5.152 10.385 3.144 1.00 0.00 N ATOM 38 CA SER A 5 4.664 10.835 4.442 1.00 0.00 C ATOM 39 C SER A 5 5.480 12.020 4.949 1.00 0.00 C ATOM 40 O SER A 5 6.643 11.871 5.324 1.00 0.00 O ATOM 41 CB SER A 5 4.720 9.691 5.456 1.00 0.00 C ATOM 42 OG SER A 5 4.145 10.077 6.693 1.00 0.00 O ATOM 0 H SER A 5 5.469 9.416 3.126 1.00 0.00 H new ATOM 0 HA SER A 5 3.629 11.155 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.191 8.824 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.756 9.389 5.611 1.00 0.00 H new ATOM 0 HG SER A 5 4.192 9.328 7.323 1.00 0.00 H new ATOM 48 N SER A 6 4.862 13.196 4.956 1.00 0.00 N ATOM 49 CA SER A 6 5.532 14.409 5.413 1.00 0.00 C ATOM 50 C SER A 6 4.857 14.963 6.664 1.00 0.00 C ATOM 51 O SER A 6 3.984 15.826 6.581 1.00 0.00 O ATOM 52 CB SER A 6 5.529 15.466 4.307 1.00 0.00 C ATOM 53 OG SER A 6 6.608 15.268 3.410 1.00 0.00 O ATOM 0 H SER A 6 3.899 13.336 4.651 1.00 0.00 H new ATOM 0 HA SER A 6 6.563 14.155 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.586 15.424 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.597 16.460 4.749 1.00 0.00 H new ATOM 0 HG SER A 6 6.583 15.955 2.712 1.00 0.00 H new ATOM 59 N GLY A 7 5.270 14.461 7.823 1.00 0.00 N ATOM 60 CA GLY A 7 4.696 14.917 9.076 1.00 0.00 C ATOM 61 C GLY A 7 5.616 14.676 10.257 1.00 0.00 C ATOM 62 O GLY A 7 6.716 14.146 10.098 1.00 0.00 O ATOM 0 H GLY A 7 5.992 13.747 7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.474 15.982 9.004 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.749 14.404 9.246 1.00 0.00 H new ATOM 66 N LEU A 8 5.166 15.068 11.444 1.00 0.00 N ATOM 67 CA LEU A 8 5.957 14.893 12.657 1.00 0.00 C ATOM 68 C LEU A 8 5.608 13.580 13.351 1.00 0.00 C ATOM 69 O LEU A 8 4.458 13.143 13.330 1.00 0.00 O ATOM 70 CB LEU A 8 5.726 16.065 13.613 1.00 0.00 C ATOM 71 CG LEU A 8 6.103 17.449 13.082 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.507 18.538 13.960 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.615 17.595 13.000 1.00 0.00 C ATOM 0 H LEU A 8 4.258 15.509 11.592 1.00 0.00 H new ATOM 0 HA LEU A 8 7.009 14.864 12.374 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.672 16.079 13.891 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.293 15.881 14.525 1.00 0.00 H new ATOM 0 HG LEU A 8 5.693 17.556 12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.786 19.516 13.567 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.421 18.446 13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.886 18.434 14.977 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.865 18.586 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.047 17.467 13.992 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.018 16.837 12.328 1.00 0.00 H new ATOM 85 N ARG A 9 6.609 12.958 13.965 1.00 0.00 N ATOM 86 CA ARG A 9 6.408 11.695 14.666 1.00 0.00 C ATOM 87 C ARG A 9 7.070 11.725 16.041 1.00 0.00 C ATOM 88 O ARG A 9 8.086 12.392 16.237 1.00 0.00 O ATOM 89 CB ARG A 9 6.969 10.535 13.843 1.00 0.00 C ATOM 90 CG ARG A 9 6.394 10.451 12.438 1.00 0.00 C ATOM 91 CD ARG A 9 4.925 10.057 12.460 1.00 0.00 C ATOM 92 NE ARG A 9 4.246 10.410 11.217 1.00 0.00 N ATOM 93 CZ ARG A 9 2.925 10.419 11.078 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.145 10.098 12.102 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.381 10.751 9.915 1.00 0.00 N ATOM 0 H ARG A 9 7.567 13.308 13.991 1.00 0.00 H new ATOM 0 HA ARG A 9 5.336 11.550 14.801 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.052 10.637 13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.768 9.600 14.365 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.506 11.414 11.940 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.958 9.723 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.840 8.983 12.627 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.430 10.550 13.296 1.00 0.00 H new ATOM 0 HE ARG A 9 4.817 10.664 10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.559 9.844 12.999 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.131 10.106 11.993 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.977 11.000 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.366 10.757 9.810 1.00 0.00 H new ATOM 109 N ARG A 10 6.486 10.999 16.989 1.00 0.00 N ATOM 110 CA ARG A 10 7.019 10.943 18.345 1.00 0.00 C ATOM 111 C ARG A 10 7.451 9.524 18.702 1.00 0.00 C ATOM 112 O ARG A 10 6.803 8.552 18.314 1.00 0.00 O ATOM 113 CB ARG A 10 5.973 11.437 19.346 1.00 0.00 C ATOM 114 CG ARG A 10 5.721 12.934 19.276 1.00 0.00 C ATOM 115 CD ARG A 10 4.369 13.299 19.869 1.00 0.00 C ATOM 116 NE ARG A 10 3.288 13.157 18.897 1.00 0.00 N ATOM 117 CZ ARG A 10 2.096 13.726 19.034 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.833 14.472 20.098 1.00 0.00 N ATOM 119 NH2 ARG A 10 1.164 13.550 18.106 1.00 0.00 N ATOM 0 H ARG A 10 5.644 10.442 16.843 1.00 0.00 H new ATOM 0 HA ARG A 10 7.893 11.592 18.393 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.035 10.911 19.168 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.297 11.179 20.354 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.509 13.462 19.812 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.765 13.264 18.238 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.167 12.663 20.731 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.398 14.327 20.231 1.00 0.00 H new ATOM 0 HE ARG A 10 3.458 12.589 18.067 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.547 14.610 20.813 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.917 14.908 20.201 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.363 12.977 17.286 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.249 13.988 18.213 1.00 0.00 H new ATOM 133 N ALA A 11 8.549 9.414 19.442 1.00 0.00 N ATOM 134 CA ALA A 11 9.066 8.114 19.852 1.00 0.00 C ATOM 135 C ALA A 11 10.088 8.260 20.975 1.00 0.00 C ATOM 136 O ALA A 11 10.709 9.311 21.131 1.00 0.00 O ATOM 137 CB ALA A 11 9.685 7.393 18.663 1.00 0.00 C ATOM 0 H ALA A 11 9.098 10.209 19.770 1.00 0.00 H new ATOM 0 HA ALA A 11 8.233 7.521 20.229 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.067 6.424 18.984 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.929 7.248 17.892 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.503 7.990 18.261 1.00 0.00 H new ATOM 143 N THR A 12 10.257 7.197 21.756 1.00 0.00 N ATOM 144 CA THR A 12 11.202 7.207 22.866 1.00 0.00 C ATOM 145 C THR A 12 12.573 6.707 22.425 1.00 0.00 C ATOM 146 O THR A 12 12.678 5.819 21.579 1.00 0.00 O ATOM 147 CB THR A 12 10.703 6.340 24.037 1.00 0.00 C ATOM 148 OG1 THR A 12 9.934 5.239 23.538 1.00 0.00 O ATOM 149 CG2 THR A 12 9.856 7.162 24.997 1.00 0.00 C ATOM 0 H THR A 12 9.752 6.319 21.640 1.00 0.00 H new ATOM 0 HA THR A 12 11.286 8.241 23.200 1.00 0.00 H new ATOM 0 HB THR A 12 11.572 5.962 24.576 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.622 4.691 24.288 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.515 6.528 25.816 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.452 7.982 25.397 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.993 7.565 24.467 1.00 0.00 H new ATOM 157 N VAL A 13 13.622 7.280 23.006 1.00 0.00 N ATOM 158 CA VAL A 13 14.987 6.890 22.675 1.00 0.00 C ATOM 159 C VAL A 13 15.377 5.599 23.384 1.00 0.00 C ATOM 160 O VAL A 13 14.911 5.321 24.489 1.00 0.00 O ATOM 161 CB VAL A 13 15.993 7.994 23.051 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.389 7.632 22.568 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.553 9.333 22.480 1.00 0.00 C ATOM 0 H VAL A 13 13.552 8.016 23.709 1.00 0.00 H new ATOM 0 HA VAL A 13 15.018 6.732 21.597 1.00 0.00 H new ATOM 0 HB VAL A 13 16.022 8.080 24.137 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.086 8.424 22.843 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.703 6.696 23.030 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.380 7.516 21.484 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.276 10.101 22.756 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.494 9.264 21.394 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.574 9.595 22.881 1.00 0.00 H new ATOM 173 N GLU A 14 16.236 4.813 22.741 1.00 0.00 N ATOM 174 CA GLU A 14 16.688 3.550 23.312 1.00 0.00 C ATOM 175 C GLU A 14 17.801 3.780 24.331 1.00 0.00 C ATOM 176 O GLU A 14 17.617 3.555 25.528 1.00 0.00 O ATOM 177 CB GLU A 14 17.180 2.613 22.207 1.00 0.00 C ATOM 178 CG GLU A 14 17.165 1.145 22.602 1.00 0.00 C ATOM 179 CD GLU A 14 18.139 0.313 21.790 1.00 0.00 C ATOM 180 OE1 GLU A 14 17.759 -0.141 20.690 1.00 0.00 O ATOM 181 OE2 GLU A 14 19.281 0.116 22.255 1.00 0.00 O ATOM 0 H GLU A 14 16.632 5.029 21.826 1.00 0.00 H new ATOM 0 HA GLU A 14 15.842 3.088 23.822 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.557 2.749 21.323 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.195 2.895 21.928 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.410 1.055 23.660 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.158 0.748 22.473 1.00 0.00 H new ATOM 188 N CYS A 15 18.953 4.230 23.848 1.00 0.00 N ATOM 189 CA CYS A 15 20.097 4.490 24.715 1.00 0.00 C ATOM 190 C CYS A 15 20.952 5.625 24.162 1.00 0.00 C ATOM 191 O CYS A 15 21.346 5.607 22.996 1.00 0.00 O ATOM 192 CB CYS A 15 20.943 3.226 24.871 1.00 0.00 C ATOM 193 SG CYS A 15 20.318 2.066 26.110 1.00 0.00 S ATOM 0 H CYS A 15 19.120 4.423 22.860 1.00 0.00 H new ATOM 0 HA CYS A 15 19.720 4.788 25.693 1.00 0.00 H new ATOM 0 HB2 CYS A 15 20.998 2.718 23.908 1.00 0.00 H new ATOM 0 HB3 CYS A 15 21.960 3.513 25.138 1.00 0.00 H new ATOM 0 HG CYS A 15 19.047 2.270 26.293 1.00 0.00 H new ATOM 199 N VAL A 16 21.234 6.612 25.006 1.00 0.00 N ATOM 200 CA VAL A 16 22.042 7.756 24.602 1.00 0.00 C ATOM 201 C VAL A 16 23.318 7.849 25.431 1.00 0.00 C ATOM 202 O VAL A 16 23.423 8.673 26.339 1.00 0.00 O ATOM 203 CB VAL A 16 21.257 9.074 24.739 1.00 0.00 C ATOM 204 CG1 VAL A 16 22.083 10.244 24.223 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.930 8.982 24.001 1.00 0.00 C ATOM 0 H VAL A 16 20.915 6.642 25.974 1.00 0.00 H new ATOM 0 HA VAL A 16 22.303 7.604 23.555 1.00 0.00 H new ATOM 0 HB VAL A 16 21.049 9.245 25.795 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.512 11.167 24.328 1.00 0.00 H new ATOM 0 HG12 VAL A 16 23.005 10.320 24.799 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.324 10.084 23.172 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.388 9.922 24.108 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.114 8.788 22.944 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.336 8.171 24.421 1.00 0.00 H new ATOM 215 N LYS A 17 24.287 6.997 25.113 1.00 0.00 N ATOM 216 CA LYS A 17 25.559 6.982 25.826 1.00 0.00 C ATOM 217 C LYS A 17 26.614 7.789 25.076 1.00 0.00 C ATOM 218 O LYS A 17 27.207 8.716 25.626 1.00 0.00 O ATOM 219 CB LYS A 17 26.042 5.543 26.019 1.00 0.00 C ATOM 220 CG LYS A 17 27.381 5.441 26.730 1.00 0.00 C ATOM 221 CD LYS A 17 27.247 5.733 28.215 1.00 0.00 C ATOM 222 CE LYS A 17 28.415 5.160 29.003 1.00 0.00 C ATOM 223 NZ LYS A 17 28.147 3.767 29.458 1.00 0.00 N ATOM 0 H LYS A 17 24.215 6.307 24.365 1.00 0.00 H new ATOM 0 HA LYS A 17 25.405 7.441 26.803 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.295 4.991 26.589 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.120 5.061 25.045 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.793 4.442 26.590 1.00 0.00 H new ATOM 0 HG3 LYS A 17 28.086 6.142 26.283 1.00 0.00 H new ATOM 0 HD2 LYS A 17 27.195 6.810 28.372 1.00 0.00 H new ATOM 0 HD3 LYS A 17 26.314 5.311 28.587 1.00 0.00 H new ATOM 0 HE2 LYS A 17 29.312 5.174 28.384 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.615 5.793 29.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 28.966 3.412 29.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 27.306 3.757 30.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 27.982 3.158 28.632 1.00 0.00 H new ATOM 237 N ASP A 18 26.840 7.430 23.817 1.00 0.00 N ATOM 238 CA ASP A 18 27.822 8.122 22.990 1.00 0.00 C ATOM 239 C ASP A 18 27.187 9.307 22.269 1.00 0.00 C ATOM 240 O ASP A 18 25.970 9.490 22.309 1.00 0.00 O ATOM 241 CB ASP A 18 28.433 7.158 21.971 1.00 0.00 C ATOM 242 CG ASP A 18 29.440 6.215 22.599 1.00 0.00 C ATOM 243 OD1 ASP A 18 29.373 6.007 23.829 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.296 5.684 21.860 1.00 0.00 O ATOM 0 H ASP A 18 26.357 6.664 23.347 1.00 0.00 H new ATOM 0 HA ASP A 18 28.610 8.496 23.643 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.638 6.577 21.503 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.919 7.730 21.180 1.00 0.00 H new ATOM 249 N GLN A 19 28.019 10.109 21.612 1.00 0.00 N ATOM 250 CA GLN A 19 27.538 11.277 20.885 1.00 0.00 C ATOM 251 C GLN A 19 26.411 10.898 19.930 1.00 0.00 C ATOM 252 O GLN A 19 25.524 11.705 19.647 1.00 0.00 O ATOM 253 CB GLN A 19 28.683 11.928 20.108 1.00 0.00 C ATOM 254 CG GLN A 19 29.451 12.965 20.911 1.00 0.00 C ATOM 255 CD GLN A 19 30.614 12.366 21.678 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.482 11.316 22.308 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.762 13.032 21.629 1.00 0.00 N ATOM 0 H GLN A 19 29.029 9.971 21.569 1.00 0.00 H new ATOM 0 HA GLN A 19 27.150 11.991 21.612 1.00 0.00 H new ATOM 0 HB2 GLN A 19 29.374 11.152 19.777 1.00 0.00 H new ATOM 0 HB3 GLN A 19 28.281 12.400 19.212 1.00 0.00 H new ATOM 0 HG2 GLN A 19 29.824 13.737 20.238 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.772 13.453 21.611 1.00 0.00 H new ATOM 0 HE21 GLN A 19 31.827 13.898 21.095 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.579 12.677 22.126 1.00 0.00 H new ATOM 266 N PHE A 20 26.451 9.665 19.435 1.00 0.00 N ATOM 267 CA PHE A 20 25.434 9.179 18.510 1.00 0.00 C ATOM 268 C PHE A 20 24.571 8.105 19.165 1.00 0.00 C ATOM 269 O PHE A 20 25.083 7.186 19.804 1.00 0.00 O ATOM 270 CB PHE A 20 26.090 8.621 17.245 1.00 0.00 C ATOM 271 CG PHE A 20 26.970 7.431 17.501 1.00 0.00 C ATOM 272 CD1 PHE A 20 28.309 7.598 17.816 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.458 6.146 17.426 1.00 0.00 C ATOM 274 CE1 PHE A 20 29.121 6.506 18.052 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.266 5.049 17.662 1.00 0.00 C ATOM 276 CZ PHE A 20 28.599 5.229 17.974 1.00 0.00 C ATOM 0 H PHE A 20 27.177 8.984 19.659 1.00 0.00 H new ATOM 0 HA PHE A 20 24.794 10.019 18.239 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.312 8.341 16.535 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.682 9.407 16.776 1.00 0.00 H new ATOM 0 HD1 PHE A 20 28.723 8.594 17.878 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.417 5.999 17.181 1.00 0.00 H new ATOM 0 HE1 PHE A 20 30.163 6.650 18.297 1.00 0.00 H new ATOM 0 HE2 PHE A 20 26.855 4.052 17.602 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.232 4.373 18.157 1.00 0.00 H new ATOM 286 N GLY A 21 23.258 8.228 19.003 1.00 0.00 N ATOM 287 CA GLY A 21 22.344 7.262 19.585 1.00 0.00 C ATOM 288 C GLY A 21 21.302 6.780 18.595 1.00 0.00 C ATOM 289 O GLY A 21 21.330 7.153 17.422 1.00 0.00 O ATOM 0 H GLY A 21 22.810 8.980 18.479 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.911 6.408 19.956 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.845 7.711 20.444 1.00 0.00 H new ATOM 293 N PHE A 22 20.380 5.948 19.067 1.00 0.00 N ATOM 294 CA PHE A 22 19.326 5.412 18.215 1.00 0.00 C ATOM 295 C PHE A 22 17.959 5.575 18.873 1.00 0.00 C ATOM 296 O PHE A 22 17.820 5.419 20.086 1.00 0.00 O ATOM 297 CB PHE A 22 19.586 3.934 17.913 1.00 0.00 C ATOM 298 CG PHE A 22 20.582 3.714 16.811 1.00 0.00 C ATOM 299 CD1 PHE A 22 21.942 3.733 17.075 1.00 0.00 C ATOM 300 CD2 PHE A 22 20.159 3.489 15.511 1.00 0.00 C ATOM 301 CE1 PHE A 22 22.862 3.530 16.063 1.00 0.00 C ATOM 302 CE2 PHE A 22 21.073 3.285 14.495 1.00 0.00 C ATOM 303 CZ PHE A 22 22.427 3.307 14.771 1.00 0.00 C ATOM 0 H PHE A 22 20.342 5.630 20.036 1.00 0.00 H new ATOM 0 HA PHE A 22 19.329 5.973 17.280 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.944 3.444 18.818 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.645 3.456 17.642 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.288 3.908 18.083 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.102 3.473 15.289 1.00 0.00 H new ATOM 0 HE1 PHE A 22 23.919 3.546 16.282 1.00 0.00 H new ATOM 0 HE2 PHE A 22 20.730 3.109 13.486 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.143 3.150 13.978 1.00 0.00 H new ATOM 313 N ILE A 23 16.953 5.890 18.063 1.00 0.00 N ATOM 314 CA ILE A 23 15.597 6.073 18.566 1.00 0.00 C ATOM 315 C ILE A 23 14.717 4.876 18.223 1.00 0.00 C ATOM 316 O ILE A 23 14.799 4.326 17.126 1.00 0.00 O ATOM 317 CB ILE A 23 14.953 7.350 17.995 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.822 8.570 18.309 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.551 7.534 18.557 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.342 9.841 17.644 1.00 0.00 C ATOM 0 H ILE A 23 17.052 6.024 17.057 1.00 0.00 H new ATOM 0 HA ILE A 23 15.672 6.167 19.649 1.00 0.00 H new ATOM 0 HB ILE A 23 14.879 7.248 16.912 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.846 8.721 19.388 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.845 8.368 17.993 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.109 8.441 18.144 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.936 6.676 18.288 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.602 7.618 19.643 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.005 10.664 17.911 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.345 9.709 16.562 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.330 10.067 17.979 1.00 0.00 H new ATOM 332 N ASN A 24 13.872 4.479 19.170 1.00 0.00 N ATOM 333 CA ASN A 24 12.974 3.348 18.968 1.00 0.00 C ATOM 334 C ASN A 24 11.811 3.733 18.059 1.00 0.00 C ATOM 335 O ASN A 24 10.710 4.019 18.530 1.00 0.00 O ATOM 336 CB ASN A 24 12.442 2.846 20.312 1.00 0.00 C ATOM 337 CG ASN A 24 13.503 2.125 21.121 1.00 0.00 C ATOM 338 OD1 ASN A 24 14.397 1.487 20.565 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.408 2.224 22.442 1.00 0.00 N ATOM 0 H ASN A 24 13.791 4.924 20.084 1.00 0.00 H new ATOM 0 HA ASN A 24 13.538 2.549 18.487 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.062 3.690 20.887 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.602 2.174 20.139 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.093 1.760 23.039 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.650 2.764 22.860 1.00 0.00 H new ATOM 346 N TYR A 25 12.063 3.736 16.755 1.00 0.00 N ATOM 347 CA TYR A 25 11.037 4.087 15.779 1.00 0.00 C ATOM 348 C TYR A 25 11.188 3.257 14.508 1.00 0.00 C ATOM 349 O TYR A 25 12.284 3.130 13.963 1.00 0.00 O ATOM 350 CB TYR A 25 11.114 5.577 15.441 1.00 0.00 C ATOM 351 CG TYR A 25 9.914 6.086 14.675 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.654 6.117 15.259 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.040 6.535 13.366 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.555 6.581 14.563 1.00 0.00 C ATOM 355 CE2 TYR A 25 8.947 7.002 12.662 1.00 0.00 C ATOM 356 CZ TYR A 25 7.706 7.023 13.265 1.00 0.00 C ATOM 357 OH TYR A 25 6.614 7.486 12.567 1.00 0.00 O ATOM 0 H TYR A 25 12.968 3.500 16.349 1.00 0.00 H new ATOM 0 HA TYR A 25 10.063 3.871 16.219 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.213 6.146 16.365 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.014 5.762 14.855 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.532 5.772 16.275 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.010 6.519 12.891 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.583 6.598 15.032 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.063 7.349 11.646 1.00 0.00 H new ATOM 0 HH TYR A 25 5.807 7.027 12.880 1.00 0.00 H new ATOM 367 N GLU A 26 10.077 2.694 14.042 1.00 0.00 N ATOM 368 CA GLU A 26 10.085 1.875 12.835 1.00 0.00 C ATOM 369 C GLU A 26 9.499 2.643 11.653 1.00 0.00 C ATOM 370 O GLU A 26 8.341 3.060 11.683 1.00 0.00 O ATOM 371 CB GLU A 26 9.295 0.585 13.062 1.00 0.00 C ATOM 372 CG GLU A 26 9.636 -0.519 12.075 1.00 0.00 C ATOM 373 CD GLU A 26 8.694 -1.703 12.175 1.00 0.00 C ATOM 374 OE1 GLU A 26 7.529 -1.573 11.744 1.00 0.00 O ATOM 375 OE2 GLU A 26 9.122 -2.759 12.686 1.00 0.00 O ATOM 0 H GLU A 26 9.161 2.790 14.481 1.00 0.00 H new ATOM 0 HA GLU A 26 11.120 1.622 12.605 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.483 0.227 14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.230 0.805 12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.603 -0.118 11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.657 -0.856 12.252 1.00 0.00 H new ATOM 382 N VAL A 27 10.308 2.825 10.614 1.00 0.00 N ATOM 383 CA VAL A 27 9.870 3.542 9.422 1.00 0.00 C ATOM 384 C VAL A 27 9.813 2.614 8.213 1.00 0.00 C ATOM 385 O VAL A 27 9.068 2.857 7.265 1.00 0.00 O ATOM 386 CB VAL A 27 10.804 4.725 9.104 1.00 0.00 C ATOM 387 CG1 VAL A 27 10.612 5.844 10.116 1.00 0.00 C ATOM 388 CG2 VAL A 27 12.254 4.266 9.074 1.00 0.00 C ATOM 0 H VAL A 27 11.269 2.486 10.574 1.00 0.00 H new ATOM 0 HA VAL A 27 8.871 3.924 9.631 1.00 0.00 H new ATOM 0 HB VAL A 27 10.549 5.112 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.280 6.671 9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.579 6.191 10.084 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.839 5.473 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.900 5.115 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 27 12.525 3.853 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.378 3.501 8.307 1.00 0.00 H new ATOM 398 N GLY A 28 10.608 1.549 8.254 1.00 0.00 N ATOM 399 CA GLY A 28 10.632 0.600 7.156 1.00 0.00 C ATOM 400 C GLY A 28 11.414 -0.655 7.492 1.00 0.00 C ATOM 401 O GLY A 28 10.985 -1.459 8.319 1.00 0.00 O ATOM 0 H GLY A 28 11.235 1.327 9.027 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.610 0.328 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.072 1.075 6.279 1.00 0.00 H new ATOM 405 N ASP A 29 12.564 -0.823 6.848 1.00 0.00 N ATOM 406 CA ASP A 29 13.407 -1.990 7.082 1.00 0.00 C ATOM 407 C ASP A 29 14.176 -1.850 8.393 1.00 0.00 C ATOM 408 O ASP A 29 14.539 -2.845 9.020 1.00 0.00 O ATOM 409 CB ASP A 29 14.385 -2.180 5.921 1.00 0.00 C ATOM 410 CG ASP A 29 13.694 -2.635 4.651 1.00 0.00 C ATOM 411 OD1 ASP A 29 12.522 -3.061 4.733 1.00 0.00 O ATOM 412 OD2 ASP A 29 14.324 -2.566 3.576 1.00 0.00 O ATOM 0 H ASP A 29 12.934 -0.166 6.160 1.00 0.00 H new ATOM 0 HA ASP A 29 12.762 -2.866 7.151 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.906 -1.242 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.141 -2.913 6.203 1.00 0.00 H new ATOM 417 N SER A 30 14.421 -0.609 8.800 1.00 0.00 N ATOM 418 CA SER A 30 15.151 -0.339 10.033 1.00 0.00 C ATOM 419 C SER A 30 14.215 -0.377 11.237 1.00 0.00 C ATOM 420 O SER A 30 13.061 0.043 11.156 1.00 0.00 O ATOM 421 CB SER A 30 15.843 1.023 9.954 1.00 0.00 C ATOM 422 OG SER A 30 16.417 1.229 8.675 1.00 0.00 O ATOM 0 H SER A 30 14.125 0.226 8.294 1.00 0.00 H new ATOM 0 HA SER A 30 15.906 -1.115 10.156 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.123 1.813 10.164 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.618 1.086 10.718 1.00 0.00 H new ATOM 0 HG SER A 30 16.852 2.107 8.649 1.00 0.00 H new ATOM 428 N LYS A 31 14.721 -0.884 12.356 1.00 0.00 N ATOM 429 CA LYS A 31 13.933 -0.978 13.580 1.00 0.00 C ATOM 430 C LYS A 31 14.033 0.311 14.390 1.00 0.00 C ATOM 431 O LYS A 31 13.103 0.678 15.109 1.00 0.00 O ATOM 432 CB LYS A 31 14.406 -2.162 14.426 1.00 0.00 C ATOM 433 CG LYS A 31 13.505 -2.460 15.612 1.00 0.00 C ATOM 434 CD LYS A 31 14.147 -3.455 16.564 1.00 0.00 C ATOM 435 CE LYS A 31 15.092 -2.767 17.536 1.00 0.00 C ATOM 436 NZ LYS A 31 14.370 -2.219 18.718 1.00 0.00 N ATOM 0 H LYS A 31 15.674 -1.237 12.441 1.00 0.00 H new ATOM 0 HA LYS A 31 12.891 -1.132 13.301 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.466 -3.048 13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.414 -1.960 14.788 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.286 -1.535 16.145 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.554 -2.857 15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.371 -3.981 17.120 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.694 -4.205 15.993 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.849 -3.476 17.870 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.615 -1.960 17.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.049 -1.758 19.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.665 -1.523 18.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.891 -2.993 19.222 1.00 0.00 H new ATOM 450 N LYS A 32 15.165 0.995 14.269 1.00 0.00 N ATOM 451 CA LYS A 32 15.385 2.245 14.987 1.00 0.00 C ATOM 452 C LYS A 32 15.959 3.312 14.060 1.00 0.00 C ATOM 453 O LYS A 32 16.455 3.005 12.976 1.00 0.00 O ATOM 454 CB LYS A 32 16.332 2.018 16.168 1.00 0.00 C ATOM 455 CG LYS A 32 17.618 1.304 15.788 1.00 0.00 C ATOM 456 CD LYS A 32 17.469 -0.205 15.887 1.00 0.00 C ATOM 457 CE LYS A 32 18.822 -0.897 15.938 1.00 0.00 C ATOM 458 NZ LYS A 32 19.415 -1.055 14.581 1.00 0.00 N ATOM 0 H LYS A 32 15.945 0.705 13.680 1.00 0.00 H new ATOM 0 HA LYS A 32 14.423 2.594 15.362 1.00 0.00 H new ATOM 0 HB2 LYS A 32 16.579 2.981 16.615 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.815 1.436 16.931 1.00 0.00 H new ATOM 0 HG2 LYS A 32 17.900 1.577 14.771 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.425 1.634 16.442 1.00 0.00 H new ATOM 0 HD2 LYS A 32 16.896 -0.457 16.780 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.903 -0.573 15.031 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.501 -0.321 16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 32 18.712 -1.877 16.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.337 -1.531 14.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 18.779 -1.626 13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.544 -0.119 14.147 1.00 0.00 H new ATOM 472 N LEU A 33 15.888 4.565 14.494 1.00 0.00 N ATOM 473 CA LEU A 33 16.402 5.678 13.704 1.00 0.00 C ATOM 474 C LEU A 33 17.777 6.111 14.202 1.00 0.00 C ATOM 475 O LEU A 33 18.200 5.735 15.296 1.00 0.00 O ATOM 476 CB LEU A 33 15.432 6.860 13.759 1.00 0.00 C ATOM 477 CG LEU A 33 15.427 7.782 12.539 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.060 7.005 11.284 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.466 8.942 12.751 1.00 0.00 C ATOM 0 H LEU A 33 15.480 4.836 15.389 1.00 0.00 H new ATOM 0 HA LEU A 33 16.499 5.343 12.671 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.424 6.470 13.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.668 7.457 14.640 1.00 0.00 H new ATOM 0 HG LEU A 33 16.431 8.187 12.410 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.062 7.678 10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 33 15.788 6.210 11.123 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.067 6.570 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.476 9.588 11.873 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.459 8.556 12.907 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.774 9.515 13.626 1.00 0.00 H new ATOM 491 N PHE A 34 18.471 6.907 13.394 1.00 0.00 N ATOM 492 CA PHE A 34 19.798 7.393 13.753 1.00 0.00 C ATOM 493 C PHE A 34 19.817 8.917 13.827 1.00 0.00 C ATOM 494 O PHE A 34 19.205 9.597 13.003 1.00 0.00 O ATOM 495 CB PHE A 34 20.834 6.906 12.739 1.00 0.00 C ATOM 496 CG PHE A 34 22.194 7.513 12.933 1.00 0.00 C ATOM 497 CD1 PHE A 34 23.036 7.054 13.933 1.00 0.00 C ATOM 498 CD2 PHE A 34 22.631 8.543 12.116 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.288 7.610 14.115 1.00 0.00 C ATOM 500 CE2 PHE A 34 23.882 9.103 12.292 1.00 0.00 C ATOM 501 CZ PHE A 34 24.711 8.636 13.294 1.00 0.00 C ATOM 0 H PHE A 34 18.136 7.229 12.486 1.00 0.00 H new ATOM 0 HA PHE A 34 20.050 6.996 14.737 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.916 5.821 12.808 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.482 7.136 11.733 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.710 6.252 14.578 1.00 0.00 H new ATOM 0 HD2 PHE A 34 21.986 8.913 11.332 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.934 7.242 14.898 1.00 0.00 H new ATOM 0 HE2 PHE A 34 24.211 9.904 11.647 1.00 0.00 H new ATOM 0 HZ PHE A 34 25.689 9.073 13.435 1.00 0.00 H new ATOM 511 N PHE A 35 20.526 9.446 14.818 1.00 0.00 N ATOM 512 CA PHE A 35 20.625 10.890 15.001 1.00 0.00 C ATOM 513 C PHE A 35 21.883 11.253 15.784 1.00 0.00 C ATOM 514 O PHE A 35 22.332 10.497 16.646 1.00 0.00 O ATOM 515 CB PHE A 35 19.387 11.419 15.728 1.00 0.00 C ATOM 516 CG PHE A 35 19.351 11.064 17.187 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.111 9.761 17.591 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.558 12.034 18.155 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.078 9.431 18.933 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.526 11.710 19.498 1.00 0.00 C ATOM 521 CZ PHE A 35 19.285 10.407 19.888 1.00 0.00 C ATOM 0 H PHE A 35 21.041 8.897 15.507 1.00 0.00 H new ATOM 0 HA PHE A 35 20.685 11.353 14.016 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.351 12.504 15.625 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.494 11.023 15.244 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.948 8.994 16.849 1.00 0.00 H new ATOM 0 HD2 PHE A 35 19.746 13.055 17.856 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.891 8.411 19.234 1.00 0.00 H new ATOM 0 HE2 PHE A 35 19.689 12.475 20.242 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.259 10.152 20.937 1.00 0.00 H new ATOM 531 N HIS A 36 22.448 12.417 15.478 1.00 0.00 N ATOM 532 CA HIS A 36 23.655 12.883 16.152 1.00 0.00 C ATOM 533 C HIS A 36 23.330 14.005 17.133 1.00 0.00 C ATOM 534 O HIS A 36 22.264 14.617 17.061 1.00 0.00 O ATOM 535 CB HIS A 36 24.683 13.365 15.128 1.00 0.00 C ATOM 536 CG HIS A 36 26.066 13.501 15.686 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.717 14.711 15.799 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.922 12.569 16.167 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.914 14.518 16.323 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.063 13.226 16.556 1.00 0.00 N ATOM 0 H HIS A 36 22.089 13.055 14.768 1.00 0.00 H new ATOM 0 HA HIS A 36 24.076 12.047 16.711 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.705 12.667 14.291 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.364 14.329 14.731 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.741 11.506 16.233 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.646 15.285 16.526 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.891 12.788 16.959 1.00 0.00 H new ATOM 548 N VAL A 37 24.257 14.271 18.048 1.00 0.00 N ATOM 549 CA VAL A 37 24.069 15.321 19.043 1.00 0.00 C ATOM 550 C VAL A 37 23.776 16.661 18.379 1.00 0.00 C ATOM 551 O VAL A 37 23.150 17.538 18.975 1.00 0.00 O ATOM 552 CB VAL A 37 25.310 15.467 19.945 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.395 14.309 20.928 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.573 15.555 19.102 1.00 0.00 C ATOM 0 H VAL A 37 25.145 13.774 18.121 1.00 0.00 H new ATOM 0 HA VAL A 37 23.216 15.029 19.655 1.00 0.00 H new ATOM 0 HB VAL A 37 25.216 16.391 20.516 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.277 14.429 21.556 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.503 14.297 21.554 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.466 13.370 20.379 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.440 15.658 19.755 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.675 14.650 18.504 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.511 16.421 18.443 1.00 0.00 H new ATOM 564 N LYS A 38 24.233 16.814 17.141 1.00 0.00 N ATOM 565 CA LYS A 38 24.019 18.048 16.393 1.00 0.00 C ATOM 566 C LYS A 38 22.537 18.254 16.096 1.00 0.00 C ATOM 567 O LYS A 38 22.060 19.386 16.030 1.00 0.00 O ATOM 568 CB LYS A 38 24.813 18.019 15.085 1.00 0.00 C ATOM 569 CG LYS A 38 24.224 17.092 14.036 1.00 0.00 C ATOM 570 CD LYS A 38 25.284 16.608 13.061 1.00 0.00 C ATOM 571 CE LYS A 38 24.681 15.738 11.968 1.00 0.00 C ATOM 572 NZ LYS A 38 23.833 16.529 11.034 1.00 0.00 N ATOM 0 H LYS A 38 24.754 16.099 16.634 1.00 0.00 H new ATOM 0 HA LYS A 38 24.368 18.880 17.005 1.00 0.00 H new ATOM 0 HB2 LYS A 38 24.863 19.029 14.678 1.00 0.00 H new ATOM 0 HB3 LYS A 38 25.836 17.710 15.298 1.00 0.00 H new ATOM 0 HG2 LYS A 38 23.760 16.235 14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.437 17.612 13.490 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.784 17.465 12.611 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.044 16.042 13.600 1.00 0.00 H new ATOM 0 HE2 LYS A 38 25.480 15.251 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.082 14.948 12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 22.831 16.314 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.001 17.544 11.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.074 16.283 10.053 1.00 0.00 H new ATOM 586 N GLU A 39 21.814 17.152 15.920 1.00 0.00 N ATOM 587 CA GLU A 39 20.386 17.214 15.631 1.00 0.00 C ATOM 588 C GLU A 39 19.647 17.999 16.710 1.00 0.00 C ATOM 589 O GLU A 39 19.108 19.076 16.451 1.00 0.00 O ATOM 590 CB GLU A 39 19.804 15.803 15.522 1.00 0.00 C ATOM 591 CG GLU A 39 20.451 14.959 14.437 1.00 0.00 C ATOM 592 CD GLU A 39 20.308 15.573 13.057 1.00 0.00 C ATOM 593 OE1 GLU A 39 19.455 16.470 12.894 1.00 0.00 O ATOM 594 OE2 GLU A 39 21.047 15.155 12.142 1.00 0.00 O ATOM 0 H GLU A 39 22.193 16.207 15.972 1.00 0.00 H new ATOM 0 HA GLU A 39 20.255 17.728 14.679 1.00 0.00 H new ATOM 0 HB2 GLU A 39 19.919 15.297 16.481 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.734 15.875 15.325 1.00 0.00 H new ATOM 0 HG2 GLU A 39 21.509 14.829 14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 39 20.001 13.966 14.437 1.00 0.00 H new ATOM 601 N VAL A 40 19.625 17.453 17.921 1.00 0.00 N ATOM 602 CA VAL A 40 18.952 18.101 19.041 1.00 0.00 C ATOM 603 C VAL A 40 19.416 19.545 19.199 1.00 0.00 C ATOM 604 O VAL A 40 20.590 19.854 19.000 1.00 0.00 O ATOM 605 CB VAL A 40 19.201 17.346 20.359 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.693 17.212 20.624 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.507 18.050 21.516 1.00 0.00 C ATOM 0 H VAL A 40 20.066 16.563 18.152 1.00 0.00 H new ATOM 0 HA VAL A 40 17.885 18.087 18.820 1.00 0.00 H new ATOM 0 HB VAL A 40 18.781 16.344 20.268 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.850 16.676 21.560 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.160 16.661 19.807 1.00 0.00 H new ATOM 0 HG13 VAL A 40 21.140 18.203 20.695 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.694 17.502 22.440 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.895 19.064 21.610 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.434 18.088 21.328 1.00 0.00 H new ATOM 617 N GLN A 41 18.486 20.424 19.558 1.00 0.00 N ATOM 618 CA GLN A 41 18.800 21.835 19.743 1.00 0.00 C ATOM 619 C GLN A 41 18.220 22.355 21.054 1.00 0.00 C ATOM 620 O GLN A 41 17.666 21.591 21.845 1.00 0.00 O ATOM 621 CB GLN A 41 18.261 22.657 18.571 1.00 0.00 C ATOM 622 CG GLN A 41 18.568 22.052 17.211 1.00 0.00 C ATOM 623 CD GLN A 41 18.576 23.084 16.101 1.00 0.00 C ATOM 624 OE1 GLN A 41 18.328 24.267 16.336 1.00 0.00 O ATOM 625 NE2 GLN A 41 18.861 22.641 14.882 1.00 0.00 N ATOM 0 H GLN A 41 17.509 20.184 19.726 1.00 0.00 H new ATOM 0 HA GLN A 41 19.884 21.938 19.781 1.00 0.00 H new ATOM 0 HB2 GLN A 41 17.181 22.761 18.678 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.684 23.660 18.617 1.00 0.00 H new ATOM 0 HG2 GLN A 41 19.538 21.557 17.249 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.828 21.285 16.983 1.00 0.00 H new ATOM 0 HE21 GLN A 41 19.060 21.652 14.732 1.00 0.00 H new ATOM 0 HE22 GLN A 41 18.881 23.290 14.095 1.00 0.00 H new ATOM 634 N ASP A 42 18.350 23.658 21.278 1.00 0.00 N ATOM 635 CA ASP A 42 17.838 24.281 22.493 1.00 0.00 C ATOM 636 C ASP A 42 18.549 23.732 23.726 1.00 0.00 C ATOM 637 O ASP A 42 17.996 23.732 24.825 1.00 0.00 O ATOM 638 CB ASP A 42 16.330 24.050 22.613 1.00 0.00 C ATOM 639 CG ASP A 42 15.612 25.230 23.237 1.00 0.00 C ATOM 640 OD1 ASP A 42 16.002 26.381 22.950 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.661 25.003 24.014 1.00 0.00 O ATOM 0 H ASP A 42 18.806 24.304 20.633 1.00 0.00 H new ATOM 0 HA ASP A 42 18.030 25.352 22.432 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.915 23.858 21.624 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.148 23.159 23.214 1.00 0.00 H new ATOM 646 N GLY A 43 19.778 23.262 23.534 1.00 0.00 N ATOM 647 CA GLY A 43 20.544 22.716 24.639 1.00 0.00 C ATOM 648 C GLY A 43 19.781 21.653 25.404 1.00 0.00 C ATOM 649 O GLY A 43 19.714 21.691 26.633 1.00 0.00 O ATOM 0 H GLY A 43 20.256 23.250 22.633 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.472 22.289 24.258 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.819 23.522 25.319 1.00 0.00 H new ATOM 653 N ILE A 44 19.202 20.703 24.676 1.00 0.00 N ATOM 654 CA ILE A 44 18.440 19.625 25.294 1.00 0.00 C ATOM 655 C ILE A 44 19.198 18.304 25.224 1.00 0.00 C ATOM 656 O ILE A 44 19.932 18.050 24.270 1.00 0.00 O ATOM 657 CB ILE A 44 17.065 19.452 24.622 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.334 20.794 24.553 1.00 0.00 C ATOM 659 CG2 ILE A 44 16.232 18.427 25.378 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.998 21.370 25.911 1.00 0.00 C ATOM 0 H ILE A 44 19.246 20.658 23.658 1.00 0.00 H new ATOM 0 HA ILE A 44 18.293 19.901 26.338 1.00 0.00 H new ATOM 0 HB ILE A 44 17.217 19.090 23.605 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.952 21.507 24.008 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.414 20.668 23.983 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.263 18.315 24.891 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.750 17.468 25.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 16.086 18.763 26.405 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.481 22.321 25.785 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.354 20.676 26.451 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.916 21.528 26.476 1.00 0.00 H new ATOM 672 N GLU A 45 19.013 17.467 26.240 1.00 0.00 N ATOM 673 CA GLU A 45 19.680 16.171 26.292 1.00 0.00 C ATOM 674 C GLU A 45 18.661 15.035 26.287 1.00 0.00 C ATOM 675 O GLU A 45 17.718 15.028 27.079 1.00 0.00 O ATOM 676 CB GLU A 45 20.561 16.076 27.539 1.00 0.00 C ATOM 677 CG GLU A 45 21.381 14.798 27.609 1.00 0.00 C ATOM 678 CD GLU A 45 22.663 14.883 26.804 1.00 0.00 C ATOM 679 OE1 GLU A 45 23.597 15.583 27.249 1.00 0.00 O ATOM 680 OE2 GLU A 45 22.733 14.250 25.730 1.00 0.00 O ATOM 0 H GLU A 45 18.408 17.663 27.037 1.00 0.00 H new ATOM 0 HA GLU A 45 20.307 16.077 25.405 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.235 16.932 27.563 1.00 0.00 H new ATOM 0 HB3 GLU A 45 19.930 16.142 28.425 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.623 14.583 28.650 1.00 0.00 H new ATOM 0 HG3 GLU A 45 20.781 13.965 27.243 1.00 0.00 H new ATOM 687 N LEU A 46 18.858 14.076 25.389 1.00 0.00 N ATOM 688 CA LEU A 46 17.957 12.934 25.279 1.00 0.00 C ATOM 689 C LEU A 46 18.557 11.701 25.947 1.00 0.00 C ATOM 690 O LEU A 46 19.712 11.352 25.703 1.00 0.00 O ATOM 691 CB LEU A 46 17.656 12.636 23.809 1.00 0.00 C ATOM 692 CG LEU A 46 17.485 13.853 22.899 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.337 13.419 21.449 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.285 14.681 23.335 1.00 0.00 C ATOM 0 H LEU A 46 19.634 14.066 24.727 1.00 0.00 H new ATOM 0 HA LEU A 46 17.028 13.185 25.790 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.463 12.020 23.411 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.745 12.039 23.759 1.00 0.00 H new ATOM 0 HG LEU A 46 18.378 14.473 22.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.216 14.298 20.816 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.227 12.870 21.141 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.462 12.777 21.349 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.179 15.543 22.676 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.383 14.071 23.282 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.432 15.023 24.359 1.00 0.00 H new ATOM 706 N GLN A 47 17.765 11.045 26.788 1.00 0.00 N ATOM 707 CA GLN A 47 18.218 9.849 27.489 1.00 0.00 C ATOM 708 C GLN A 47 17.355 8.645 27.126 1.00 0.00 C ATOM 709 O GLN A 47 16.424 8.754 26.328 1.00 0.00 O ATOM 710 CB GLN A 47 18.187 10.077 29.001 1.00 0.00 C ATOM 711 CG GLN A 47 19.006 11.276 29.453 1.00 0.00 C ATOM 712 CD GLN A 47 19.212 11.309 30.954 1.00 0.00 C ATOM 713 OE1 GLN A 47 18.375 11.825 31.696 1.00 0.00 O ATOM 714 NE2 GLN A 47 20.330 10.758 31.411 1.00 0.00 N ATOM 0 H GLN A 47 16.806 11.321 27.001 1.00 0.00 H new ATOM 0 HA GLN A 47 19.243 9.644 27.180 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.153 10.213 29.318 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.559 9.184 29.502 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.977 11.256 28.957 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.506 12.192 29.138 1.00 0.00 H new ATOM 0 HE21 GLN A 47 20.996 10.342 30.761 1.00 0.00 H new ATOM 0 HE22 GLN A 47 20.523 10.751 32.413 1.00 0.00 H new ATOM 723 N ALA A 48 17.671 7.498 27.717 1.00 0.00 N ATOM 724 CA ALA A 48 16.923 6.273 27.458 1.00 0.00 C ATOM 725 C ALA A 48 15.510 6.362 28.024 1.00 0.00 C ATOM 726 O ALA A 48 15.318 6.382 29.239 1.00 0.00 O ATOM 727 CB ALA A 48 17.654 5.074 28.043 1.00 0.00 C ATOM 0 H ALA A 48 18.440 7.391 28.379 1.00 0.00 H new ATOM 0 HA ALA A 48 16.846 6.146 26.378 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.084 4.167 27.842 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.641 4.991 27.587 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.762 5.204 29.120 1.00 0.00 H new ATOM 733 N GLY A 49 14.523 6.418 27.135 1.00 0.00 N ATOM 734 CA GLY A 49 13.140 6.505 27.566 1.00 0.00 C ATOM 735 C GLY A 49 12.593 7.916 27.476 1.00 0.00 C ATOM 736 O GLY A 49 11.555 8.224 28.061 1.00 0.00 O ATOM 0 H GLY A 49 14.657 6.405 26.124 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.529 5.842 26.953 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.060 6.152 28.594 1.00 0.00 H new ATOM 740 N ASP A 50 13.294 8.775 26.745 1.00 0.00 N ATOM 741 CA ASP A 50 12.873 10.162 26.582 1.00 0.00 C ATOM 742 C ASP A 50 12.133 10.353 25.261 1.00 0.00 C ATOM 743 O ASP A 50 12.720 10.229 24.187 1.00 0.00 O ATOM 744 CB ASP A 50 14.083 11.095 26.642 1.00 0.00 C ATOM 745 CG ASP A 50 14.549 11.348 28.063 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.758 10.363 28.802 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.704 12.529 28.434 1.00 0.00 O ATOM 0 H ASP A 50 14.156 8.536 26.256 1.00 0.00 H new ATOM 0 HA ASP A 50 12.194 10.408 27.398 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.901 10.662 26.066 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.830 12.045 26.171 1.00 0.00 H new ATOM 752 N GLU A 51 10.841 10.654 25.351 1.00 0.00 N ATOM 753 CA GLU A 51 10.021 10.860 24.163 1.00 0.00 C ATOM 754 C GLU A 51 10.363 12.187 23.490 1.00 0.00 C ATOM 755 O GLU A 51 10.393 13.234 24.136 1.00 0.00 O ATOM 756 CB GLU A 51 8.536 10.829 24.529 1.00 0.00 C ATOM 757 CG GLU A 51 7.644 10.319 23.409 1.00 0.00 C ATOM 758 CD GLU A 51 6.273 9.898 23.902 1.00 0.00 C ATOM 759 OE1 GLU A 51 6.054 9.915 25.131 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.420 9.551 23.059 1.00 0.00 O ATOM 0 H GLU A 51 10.340 10.760 26.233 1.00 0.00 H new ATOM 0 HA GLU A 51 10.232 10.052 23.463 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.400 10.197 25.407 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.218 11.834 24.807 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.532 11.098 22.655 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.127 9.472 22.922 1.00 0.00 H new ATOM 767 N VAL A 52 10.619 12.134 22.187 1.00 0.00 N ATOM 768 CA VAL A 52 10.958 13.330 21.425 1.00 0.00 C ATOM 769 C VAL A 52 10.228 13.354 20.086 1.00 0.00 C ATOM 770 O VAL A 52 9.936 12.308 19.509 1.00 0.00 O ATOM 771 CB VAL A 52 12.474 13.424 21.172 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.234 13.461 22.489 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.943 12.263 20.309 1.00 0.00 C ATOM 0 H VAL A 52 10.598 11.275 21.637 1.00 0.00 H new ATOM 0 HA VAL A 52 10.643 14.185 22.023 1.00 0.00 H new ATOM 0 HB VAL A 52 12.678 14.351 20.636 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.304 13.527 22.290 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.918 14.329 23.067 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.026 12.553 23.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.017 12.346 20.140 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.726 11.322 20.816 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.422 12.288 19.352 1.00 0.00 H new ATOM 783 N GLU A 53 9.937 14.556 19.599 1.00 0.00 N ATOM 784 CA GLU A 53 9.241 14.716 18.327 1.00 0.00 C ATOM 785 C GLU A 53 10.223 15.046 17.207 1.00 0.00 C ATOM 786 O GLU A 53 10.890 16.080 17.236 1.00 0.00 O ATOM 787 CB GLU A 53 8.183 15.817 18.434 1.00 0.00 C ATOM 788 CG GLU A 53 7.166 15.796 17.305 1.00 0.00 C ATOM 789 CD GLU A 53 5.892 16.539 17.655 1.00 0.00 C ATOM 790 OE1 GLU A 53 5.074 15.985 18.419 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.711 17.673 17.164 1.00 0.00 O ATOM 0 H GLU A 53 10.172 15.432 20.065 1.00 0.00 H new ATOM 0 HA GLU A 53 8.750 13.772 18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.660 15.715 19.385 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.680 16.787 18.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.609 16.241 16.414 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.923 14.762 17.058 1.00 0.00 H new ATOM 798 N PHE A 54 10.306 14.160 16.220 1.00 0.00 N ATOM 799 CA PHE A 54 11.207 14.355 15.091 1.00 0.00 C ATOM 800 C PHE A 54 10.485 14.104 13.770 1.00 0.00 C ATOM 801 O PHE A 54 9.405 13.514 13.742 1.00 0.00 O ATOM 802 CB PHE A 54 12.416 13.425 15.209 1.00 0.00 C ATOM 803 CG PHE A 54 12.047 11.972 15.301 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.818 11.227 14.156 1.00 0.00 C ATOM 805 CD2 PHE A 54 11.930 11.351 16.534 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.480 9.889 14.237 1.00 0.00 C ATOM 807 CE2 PHE A 54 11.592 10.013 16.622 1.00 0.00 C ATOM 808 CZ PHE A 54 11.365 9.282 15.472 1.00 0.00 C ATOM 0 H PHE A 54 9.760 13.300 16.180 1.00 0.00 H new ATOM 0 HA PHE A 54 11.551 15.389 15.107 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.064 13.573 14.345 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.993 13.702 16.092 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.905 11.697 13.188 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.105 11.918 17.436 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.306 9.319 13.336 1.00 0.00 H new ATOM 0 HE2 PHE A 54 11.506 9.540 17.589 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.098 8.238 15.539 1.00 0.00 H new ATOM 818 N SER A 55 11.090 14.559 12.677 1.00 0.00 N ATOM 819 CA SER A 55 10.504 14.388 11.352 1.00 0.00 C ATOM 820 C SER A 55 11.373 13.482 10.486 1.00 0.00 C ATOM 821 O SER A 55 12.596 13.617 10.458 1.00 0.00 O ATOM 822 CB SER A 55 10.327 15.747 10.671 1.00 0.00 C ATOM 823 OG SER A 55 9.243 15.722 9.759 1.00 0.00 O ATOM 0 H SER A 55 11.985 15.048 12.683 1.00 0.00 H new ATOM 0 HA SER A 55 9.527 13.919 11.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.155 16.515 11.425 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.243 16.016 10.145 1.00 0.00 H new ATOM 0 HG SER A 55 8.528 15.155 10.116 1.00 0.00 H new ATOM 829 N VAL A 56 10.731 12.555 9.780 1.00 0.00 N ATOM 830 CA VAL A 56 11.444 11.626 8.912 1.00 0.00 C ATOM 831 C VAL A 56 11.972 12.331 7.668 1.00 0.00 C ATOM 832 O VAL A 56 11.198 12.809 6.838 1.00 0.00 O ATOM 833 CB VAL A 56 10.541 10.455 8.481 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.344 9.412 7.720 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.859 9.836 9.692 1.00 0.00 C ATOM 0 H VAL A 56 9.719 12.428 9.793 1.00 0.00 H new ATOM 0 HA VAL A 56 12.283 11.235 9.488 1.00 0.00 H new ATOM 0 HB VAL A 56 9.769 10.840 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.689 8.593 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.781 9.867 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.139 9.028 8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.225 9.010 9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.614 9.465 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.249 10.589 10.190 1.00 0.00 H new ATOM 845 N ILE A 57 13.293 12.392 7.545 1.00 0.00 N ATOM 846 CA ILE A 57 13.924 13.038 6.400 1.00 0.00 C ATOM 847 C ILE A 57 14.755 12.043 5.597 1.00 0.00 C ATOM 848 O ILE A 57 15.621 11.357 6.142 1.00 0.00 O ATOM 849 CB ILE A 57 14.827 14.206 6.840 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.073 15.126 7.803 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.314 14.984 5.627 1.00 0.00 C ATOM 852 CD1 ILE A 57 12.870 15.798 7.180 1.00 0.00 C ATOM 0 H ILE A 57 13.947 12.002 8.223 1.00 0.00 H new ATOM 0 HA ILE A 57 13.121 13.426 5.774 1.00 0.00 H new ATOM 0 HB ILE A 57 15.695 13.800 7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.748 14.546 8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 57 14.756 15.891 8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.951 15.806 5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.883 14.322 4.974 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.458 15.382 5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.385 16.434 7.920 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.190 16.405 6.333 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.167 15.039 6.837 1.00 0.00 H new ATOM 864 N LEU A 58 14.488 11.970 4.298 1.00 0.00 N ATOM 865 CA LEU A 58 15.212 11.060 3.417 1.00 0.00 C ATOM 866 C LEU A 58 16.233 11.816 2.574 1.00 0.00 C ATOM 867 O LEU A 58 15.923 12.853 1.988 1.00 0.00 O ATOM 868 CB LEU A 58 14.235 10.313 2.508 1.00 0.00 C ATOM 869 CG LEU A 58 14.856 9.554 1.335 1.00 0.00 C ATOM 870 CD1 LEU A 58 15.781 8.457 1.839 1.00 0.00 C ATOM 871 CD2 LEU A 58 13.770 8.971 0.442 1.00 0.00 C ATOM 0 H LEU A 58 13.775 12.530 3.831 1.00 0.00 H new ATOM 0 HA LEU A 58 15.744 10.339 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 58 13.673 9.604 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 13.518 11.031 2.111 1.00 0.00 H new ATOM 0 HG LEU A 58 15.446 10.255 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 58 16.214 7.928 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.579 8.899 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 58 15.214 7.757 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.230 8.434 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.153 8.284 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.148 9.777 0.052 1.00 0.00 H new ATOM 883 N ASN A 59 17.452 11.289 2.515 1.00 0.00 N ATOM 884 CA ASN A 59 18.519 11.913 1.741 1.00 0.00 C ATOM 885 C ASN A 59 18.731 11.182 0.419 1.00 0.00 C ATOM 886 O ASN A 59 18.939 9.970 0.396 1.00 0.00 O ATOM 887 CB ASN A 59 19.820 11.925 2.545 1.00 0.00 C ATOM 888 CG ASN A 59 19.915 13.120 3.474 1.00 0.00 C ATOM 889 OD1 ASN A 59 18.900 13.657 3.919 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.138 13.542 3.772 1.00 0.00 N ATOM 0 H ASN A 59 17.725 10.431 2.994 1.00 0.00 H new ATOM 0 HA ASN A 59 18.224 12.940 1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 59 19.891 11.008 3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.667 11.933 1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.265 14.341 4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.951 13.067 3.380 1.00 0.00 H new ATOM 897 N GLN A 60 18.678 11.929 -0.679 1.00 0.00 N ATOM 898 CA GLN A 60 18.864 11.352 -2.005 1.00 0.00 C ATOM 899 C GLN A 60 20.346 11.154 -2.309 1.00 0.00 C ATOM 900 O GLN A 60 20.719 10.263 -3.073 1.00 0.00 O ATOM 901 CB GLN A 60 18.228 12.249 -3.069 1.00 0.00 C ATOM 902 CG GLN A 60 16.710 12.281 -3.008 1.00 0.00 C ATOM 903 CD GLN A 60 16.120 13.441 -3.787 1.00 0.00 C ATOM 904 OE1 GLN A 60 16.068 14.570 -3.297 1.00 0.00 O ATOM 905 NE2 GLN A 60 15.671 13.168 -5.006 1.00 0.00 N ATOM 0 H GLN A 60 18.508 12.935 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 60 18.375 10.378 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 60 18.610 13.263 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 60 18.537 11.903 -4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.314 11.345 -3.402 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.393 12.348 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.734 12.218 -5.372 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.263 13.908 -5.577 1.00 0.00 H new ATOM 914 N ARG A 61 21.185 11.990 -1.707 1.00 0.00 N ATOM 915 CA ARG A 61 22.626 11.908 -1.915 1.00 0.00 C ATOM 916 C ARG A 61 23.192 10.634 -1.294 1.00 0.00 C ATOM 917 O ARG A 61 23.914 9.879 -1.948 1.00 0.00 O ATOM 918 CB ARG A 61 23.320 13.132 -1.315 1.00 0.00 C ATOM 919 CG ARG A 61 24.779 13.263 -1.718 1.00 0.00 C ATOM 920 CD ARG A 61 25.233 14.714 -1.703 1.00 0.00 C ATOM 921 NE ARG A 61 24.634 15.486 -2.788 1.00 0.00 N ATOM 922 CZ ARG A 61 24.740 16.806 -2.897 1.00 0.00 C ATOM 923 NH1 ARG A 61 25.420 17.497 -1.992 1.00 0.00 N ATOM 924 NH2 ARG A 61 24.167 17.438 -3.913 1.00 0.00 N ATOM 0 H ARG A 61 20.892 12.732 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 61 22.813 11.883 -2.989 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.785 14.030 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.255 13.079 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 61 25.399 12.680 -1.038 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.921 12.847 -2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 61 24.969 15.167 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 61 26.319 14.755 -1.786 1.00 0.00 H new ATOM 0 HE ARG A 61 24.105 14.984 -3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 61 25.863 17.015 -1.210 1.00 0.00 H new ATOM 0 HH12 ARG A 61 25.500 18.510 -2.078 1.00 0.00 H new ATOM 0 HH21 ARG A 61 23.644 16.911 -4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 61 24.249 18.451 -3.995 1.00 0.00 H new ATOM 938 N THR A 62 22.862 10.401 -0.028 1.00 0.00 N ATOM 939 CA THR A 62 23.339 9.220 0.681 1.00 0.00 C ATOM 940 C THR A 62 22.375 8.051 0.514 1.00 0.00 C ATOM 941 O THR A 62 22.751 6.990 0.019 1.00 0.00 O ATOM 942 CB THR A 62 23.526 9.505 2.183 1.00 0.00 C ATOM 943 OG1 THR A 62 22.317 10.035 2.736 1.00 0.00 O ATOM 944 CG2 THR A 62 24.666 10.487 2.410 1.00 0.00 C ATOM 0 H THR A 62 22.266 11.015 0.528 1.00 0.00 H new ATOM 0 HA THR A 62 24.303 8.957 0.245 1.00 0.00 H new ATOM 0 HB THR A 62 23.771 8.566 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.518 10.501 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.779 10.673 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 62 25.591 10.068 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 62 24.445 11.425 1.900 1.00 0.00 H new ATOM 952 N GLY A 63 21.128 8.254 0.929 1.00 0.00 N ATOM 953 CA GLY A 63 20.129 7.208 0.816 1.00 0.00 C ATOM 954 C GLY A 63 19.761 6.609 2.159 1.00 0.00 C ATOM 955 O GLY A 63 19.343 5.454 2.239 1.00 0.00 O ATOM 0 H GLY A 63 20.792 9.124 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 63 19.234 7.614 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 63 20.504 6.421 0.161 1.00 0.00 H new ATOM 959 N LYS A 64 19.919 7.395 3.218 1.00 0.00 N ATOM 960 CA LYS A 64 19.601 6.937 4.566 1.00 0.00 C ATOM 961 C LYS A 64 18.579 7.857 5.226 1.00 0.00 C ATOM 962 O LYS A 64 18.207 8.890 4.667 1.00 0.00 O ATOM 963 CB LYS A 64 20.871 6.873 5.417 1.00 0.00 C ATOM 964 CG LYS A 64 21.639 8.183 5.464 1.00 0.00 C ATOM 965 CD LYS A 64 22.813 8.107 6.426 1.00 0.00 C ATOM 966 CE LYS A 64 23.831 9.203 6.151 1.00 0.00 C ATOM 967 NZ LYS A 64 25.127 8.941 6.836 1.00 0.00 N ATOM 0 H LYS A 64 20.266 8.353 3.169 1.00 0.00 H new ATOM 0 HA LYS A 64 19.170 5.939 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.603 6.582 6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 64 21.523 6.093 5.023 1.00 0.00 H new ATOM 0 HG2 LYS A 64 22.001 8.430 4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.970 8.988 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.451 8.194 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 64 23.294 7.133 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 64 23.998 9.283 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.432 10.161 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.794 9.710 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.973 8.890 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 25.521 8.039 6.500 1.00 0.00 H new ATOM 981 N CYS A 65 18.132 7.478 6.418 1.00 0.00 N ATOM 982 CA CYS A 65 17.153 8.269 7.155 1.00 0.00 C ATOM 983 C CYS A 65 17.696 8.668 8.523 1.00 0.00 C ATOM 984 O CYS A 65 18.503 7.951 9.115 1.00 0.00 O ATOM 985 CB CYS A 65 15.851 7.485 7.319 1.00 0.00 C ATOM 986 SG CYS A 65 16.075 5.804 7.946 1.00 0.00 S ATOM 0 H CYS A 65 18.432 6.628 6.895 1.00 0.00 H new ATOM 0 HA CYS A 65 16.952 9.176 6.585 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.194 8.030 7.997 1.00 0.00 H new ATOM 0 HB3 CYS A 65 15.344 7.437 6.355 1.00 0.00 H new ATOM 0 HG CYS A 65 14.917 5.223 8.053 1.00 0.00 H new ATOM 992 N SER A 66 17.250 9.818 9.019 1.00 0.00 N ATOM 993 CA SER A 66 17.695 10.315 10.316 1.00 0.00 C ATOM 994 C SER A 66 16.659 11.255 10.922 1.00 0.00 C ATOM 995 O SER A 66 15.631 11.543 10.309 1.00 0.00 O ATOM 996 CB SER A 66 19.036 11.038 10.175 1.00 0.00 C ATOM 997 OG SER A 66 20.119 10.130 10.283 1.00 0.00 O ATOM 0 H SER A 66 16.581 10.423 8.542 1.00 0.00 H new ATOM 0 HA SER A 66 17.818 9.461 10.982 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.079 11.547 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.122 11.805 10.945 1.00 0.00 H new ATOM 0 HG SER A 66 19.846 9.253 9.942 1.00 0.00 H new ATOM 1003 N ALA A 67 16.936 11.731 12.132 1.00 0.00 N ATOM 1004 CA ALA A 67 16.030 12.641 12.821 1.00 0.00 C ATOM 1005 C ALA A 67 16.557 14.071 12.788 1.00 0.00 C ATOM 1006 O ALA A 67 17.739 14.313 13.034 1.00 0.00 O ATOM 1007 CB ALA A 67 15.819 12.187 14.258 1.00 0.00 C ATOM 0 H ALA A 67 17.781 11.501 12.655 1.00 0.00 H new ATOM 0 HA ALA A 67 15.072 12.623 12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.140 12.876 14.761 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.390 11.185 14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.776 12.175 14.780 1.00 0.00 H new ATOM 1013 N CYS A 68 15.674 15.015 12.483 1.00 0.00 N ATOM 1014 CA CYS A 68 16.051 16.423 12.416 1.00 0.00 C ATOM 1015 C CYS A 68 15.208 17.258 13.374 1.00 0.00 C ATOM 1016 O CYS A 68 14.034 16.967 13.598 1.00 0.00 O ATOM 1017 CB CYS A 68 15.892 16.947 10.988 1.00 0.00 C ATOM 1018 SG CYS A 68 17.349 16.702 9.945 1.00 0.00 S ATOM 0 H CYS A 68 14.692 14.831 12.278 1.00 0.00 H new ATOM 0 HA CYS A 68 17.096 16.508 12.713 1.00 0.00 H new ATOM 0 HB2 CYS A 68 15.039 16.452 10.524 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.661 18.012 11.027 1.00 0.00 H new ATOM 0 HG CYS A 68 17.117 17.176 8.757 1.00 0.00 H new ATOM 1024 N ASN A 69 15.817 18.296 13.938 1.00 0.00 N ATOM 1025 CA ASN A 69 15.123 19.172 14.875 1.00 0.00 C ATOM 1026 C ASN A 69 14.502 18.369 16.013 1.00 0.00 C ATOM 1027 O ASN A 69 13.366 18.618 16.416 1.00 0.00 O ATOM 1028 CB ASN A 69 14.038 19.972 14.150 1.00 0.00 C ATOM 1029 CG ASN A 69 13.792 21.325 14.789 1.00 0.00 C ATOM 1030 OD1 ASN A 69 13.012 21.445 15.734 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.459 22.352 14.275 1.00 0.00 N ATOM 0 H ASN A 69 16.789 18.551 13.763 1.00 0.00 H new ATOM 0 HA ASN A 69 15.854 19.862 15.297 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.329 20.113 13.109 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.110 19.400 14.147 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.335 23.287 14.664 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.095 22.206 13.491 1.00 0.00 H new ATOM 1038 N VAL A 70 15.256 17.403 16.529 1.00 0.00 N ATOM 1039 CA VAL A 70 14.781 16.563 17.622 1.00 0.00 C ATOM 1040 C VAL A 70 14.430 17.402 18.846 1.00 0.00 C ATOM 1041 O VAL A 70 15.291 18.064 19.425 1.00 0.00 O ATOM 1042 CB VAL A 70 15.834 15.511 18.019 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.263 14.547 19.049 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.327 14.762 16.791 1.00 0.00 C ATOM 0 H VAL A 70 16.199 17.183 16.207 1.00 0.00 H new ATOM 0 HA VAL A 70 13.886 16.054 17.265 1.00 0.00 H new ATOM 0 HB VAL A 70 16.684 16.024 18.469 1.00 0.00 H new ATOM 0 HG11 VAL A 70 16.021 13.811 19.318 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.963 15.101 19.939 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.395 14.038 18.629 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.070 14.023 17.090 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.488 14.259 16.310 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.777 15.466 16.091 1.00 0.00 H new ATOM 1054 N TRP A 71 13.160 17.368 19.234 1.00 0.00 N ATOM 1055 CA TRP A 71 12.694 18.125 20.391 1.00 0.00 C ATOM 1056 C TRP A 71 12.188 17.191 21.485 1.00 0.00 C ATOM 1057 O TRP A 71 11.466 16.233 21.210 1.00 0.00 O ATOM 1058 CB TRP A 71 11.586 19.095 19.978 1.00 0.00 C ATOM 1059 CG TRP A 71 10.859 19.696 21.143 1.00 0.00 C ATOM 1060 CD1 TRP A 71 9.817 19.143 21.831 1.00 0.00 C ATOM 1061 CD2 TRP A 71 11.117 20.965 21.753 1.00 0.00 C ATOM 1062 NE1 TRP A 71 9.412 19.992 22.833 1.00 0.00 N ATOM 1063 CE2 TRP A 71 10.195 21.116 22.807 1.00 0.00 C ATOM 1064 CE3 TRP A 71 12.040 21.987 21.514 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 10.169 22.249 23.616 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 12.013 23.110 22.318 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.084 23.234 23.359 1.00 0.00 C ATOM 0 H TRP A 71 12.435 16.825 18.765 1.00 0.00 H new ATOM 0 HA TRP A 71 13.536 18.693 20.786 1.00 0.00 H new ATOM 0 HB2 TRP A 71 12.018 19.895 19.377 1.00 0.00 H new ATOM 0 HB3 TRP A 71 10.871 18.570 19.344 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.376 18.180 21.619 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.652 19.814 23.489 1.00 0.00 H new ATOM 0 HE3 TRP A 71 12.761 21.900 20.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.452 22.347 24.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 12.721 23.906 22.141 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.090 24.124 23.971 1.00 0.00 H new ATOM 1078 N ARG A 72 12.571 17.477 22.725 1.00 0.00 N ATOM 1079 CA ARG A 72 12.156 16.661 23.860 1.00 0.00 C ATOM 1080 C ARG A 72 10.714 16.969 24.252 1.00 0.00 C ATOM 1081 O ARG A 72 10.405 18.071 24.707 1.00 0.00 O ATOM 1082 CB ARG A 72 13.083 16.900 25.053 1.00 0.00 C ATOM 1083 CG ARG A 72 13.214 15.698 25.973 1.00 0.00 C ATOM 1084 CD ARG A 72 13.491 16.121 27.407 1.00 0.00 C ATOM 1085 NE ARG A 72 12.321 16.730 28.035 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.298 17.151 29.294 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.377 17.030 30.057 1.00 0.00 N ATOM 1088 NH2 ARG A 72 11.195 17.694 29.794 1.00 0.00 N ATOM 0 H ARG A 72 13.168 18.267 22.969 1.00 0.00 H new ATOM 0 HA ARG A 72 12.218 15.614 23.565 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.072 17.174 24.685 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.710 17.748 25.628 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.297 15.109 25.937 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.020 15.055 25.620 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.803 15.252 27.987 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.320 16.829 27.422 1.00 0.00 H new ATOM 0 HE ARG A 72 11.475 16.838 27.475 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.226 16.613 29.677 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.357 17.354 31.024 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.363 17.788 29.211 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.179 18.017 30.761 1.00 0.00 H new ATOM 1102 N VAL A 73 9.835 15.989 24.072 1.00 0.00 N ATOM 1103 CA VAL A 73 8.426 16.154 24.408 1.00 0.00 C ATOM 1104 C VAL A 73 8.163 15.799 25.867 1.00 0.00 C ATOM 1105 O VAL A 73 7.496 16.542 26.587 1.00 0.00 O ATOM 1106 CB VAL A 73 7.528 15.283 23.509 1.00 0.00 C ATOM 1107 CG1 VAL A 73 6.061 15.609 23.743 1.00 0.00 C ATOM 1108 CG2 VAL A 73 7.898 15.471 22.046 1.00 0.00 C ATOM 0 H VAL A 73 10.074 15.072 23.695 1.00 0.00 H new ATOM 0 HA VAL A 73 8.183 17.204 24.243 1.00 0.00 H new ATOM 0 HB VAL A 73 7.688 14.237 23.769 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.442 14.984 23.099 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.808 15.418 24.786 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.880 16.659 23.512 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.254 14.848 21.425 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.768 16.517 21.769 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.938 15.182 21.894 1.00 0.00 H new ATOM 1118 N SER A 74 8.692 14.658 26.297 1.00 0.00 N ATOM 1119 CA SER A 74 8.512 14.202 27.670 1.00 0.00 C ATOM 1120 C SER A 74 9.838 13.740 28.268 1.00 0.00 C ATOM 1121 O SER A 74 10.617 13.046 27.616 1.00 0.00 O ATOM 1122 CB SER A 74 7.493 13.063 27.722 1.00 0.00 C ATOM 1123 OG SER A 74 6.441 13.277 26.796 1.00 0.00 O ATOM 0 H SER A 74 9.249 14.033 25.714 1.00 0.00 H new ATOM 0 HA SER A 74 8.140 15.041 28.259 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.988 12.117 27.502 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.084 12.982 28.729 1.00 0.00 H new ATOM 0 HG SER A 74 5.804 12.534 26.847 1.00 0.00 H new ATOM 1129 N GLY A 75 10.088 14.132 29.514 1.00 0.00 N ATOM 1130 CA GLY A 75 11.319 13.750 30.179 1.00 0.00 C ATOM 1131 C GLY A 75 11.085 12.786 31.325 1.00 0.00 C ATOM 1132 O GLY A 75 9.982 12.272 31.516 1.00 0.00 O ATOM 0 H GLY A 75 9.459 14.707 30.074 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.992 13.292 29.455 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.817 14.643 30.556 1.00 0.00 H new ATOM 1136 N PRO A 76 12.140 12.526 32.110 1.00 0.00 N ATOM 1137 CA PRO A 76 12.069 11.614 33.256 1.00 0.00 C ATOM 1138 C PRO A 76 11.234 12.183 34.398 1.00 0.00 C ATOM 1139 O PRO A 76 10.692 13.283 34.296 1.00 0.00 O ATOM 1140 CB PRO A 76 13.531 11.467 33.684 1.00 0.00 C ATOM 1141 CG PRO A 76 14.192 12.716 33.210 1.00 0.00 C ATOM 1142 CD PRO A 76 13.484 13.103 31.941 1.00 0.00 C ATOM 0 HA PRO A 76 11.590 10.670 32.997 1.00 0.00 H new ATOM 0 HB2 PRO A 76 13.618 11.359 34.765 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.987 10.584 33.237 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.114 13.506 33.957 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.254 12.551 33.030 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.444 14.185 31.817 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.987 12.700 31.062 1.00 0.00 H new ATOM 1150 N SER A 77 11.136 11.426 35.487 1.00 0.00 N ATOM 1151 CA SER A 77 10.364 11.854 36.648 1.00 0.00 C ATOM 1152 C SER A 77 11.089 11.500 37.943 1.00 0.00 C ATOM 1153 O SER A 77 11.613 10.396 38.091 1.00 0.00 O ATOM 1154 CB SER A 77 8.978 11.206 36.632 1.00 0.00 C ATOM 1155 OG SER A 77 9.075 9.797 36.512 1.00 0.00 O ATOM 0 H SER A 77 11.581 10.514 35.589 1.00 0.00 H new ATOM 0 HA SER A 77 10.251 12.937 36.600 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.444 11.460 37.547 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.396 11.606 35.802 1.00 0.00 H new ATOM 0 HG SER A 77 8.176 9.407 36.506 1.00 0.00 H new ATOM 1161 N SER A 78 11.115 12.445 38.877 1.00 0.00 N ATOM 1162 CA SER A 78 11.779 12.236 40.158 1.00 0.00 C ATOM 1163 C SER A 78 10.840 11.558 41.152 1.00 0.00 C ATOM 1164 O SER A 78 10.529 12.112 42.206 1.00 0.00 O ATOM 1165 CB SER A 78 12.267 13.569 40.728 1.00 0.00 C ATOM 1166 OG SER A 78 11.251 14.555 40.660 1.00 0.00 O ATOM 0 H SER A 78 10.684 13.363 38.771 1.00 0.00 H new ATOM 0 HA SER A 78 12.637 11.585 39.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.578 13.433 41.764 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.143 13.906 40.174 1.00 0.00 H new ATOM 0 HG SER A 78 10.456 14.239 41.137 1.00 0.00 H new ATOM 1172 N GLY A 79 10.391 10.355 40.807 1.00 0.00 N ATOM 1173 CA GLY A 79 9.492 9.621 41.678 1.00 0.00 C ATOM 1174 C GLY A 79 8.094 9.506 41.105 1.00 0.00 C ATOM 1175 O GLY A 79 7.531 8.414 41.038 1.00 0.00 O ATOM 0 H GLY A 79 10.634 9.876 39.940 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.894 8.623 41.851 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.444 10.118 42.647 1.00 0.00 H new TER 1179 GLY A 79