USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 TYR OH : rot 180:sc= -0.86 USER MOD Set 1.2: A 51 SER OG : rot -161:sc= 0.948 USER MOD Single : A 26 SER OG : rot -160:sc= -0.922 USER MOD Single : A 30 SER OG : rot 180:sc=-0.00659 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.84) USER MOD Single : A 37 GLN : amide:sc= -2.05 K(o=-2,f=-9!) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.152 (180deg=-0.743) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 39:sc= 0.399 USER MOD Single : A 52 SER OG : rot -166:sc= -5.55! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= -0.0183 (180deg=-0.402) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -3.17! (180deg=-4.43!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.0012 X(o=-0.0012,f=-0.13) USER MOD Single : A 91 TYR OH : rot 40:sc= 1.65 USER MOD Single : A 92 LYS NZ :NH3+ -154:sc= -0.189 (180deg=-1.1) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.082 USER MOD Single : A 94 HIS : no HD1:sc= -0.234 K(o=-0.23,f=-1.5) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= -3.51 (180deg=-3.67) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 22 -7.862 12.825 -8.559 1.00 0.00 N ATOM 2 CA ARG A 22 -6.900 12.315 -7.548 1.00 0.00 C ATOM 3 C ARG A 22 -7.232 10.882 -7.145 1.00 0.00 C ATOM 4 O ARG A 22 -8.395 10.477 -7.154 1.00 0.00 O ATOM 5 CB ARG A 22 -6.946 13.234 -6.323 1.00 0.00 C ATOM 6 CG ARG A 22 -6.233 12.669 -5.102 1.00 0.00 C ATOM 7 CD ARG A 22 -6.384 13.581 -3.895 1.00 0.00 C ATOM 8 NE ARG A 22 -7.781 13.735 -3.495 1.00 0.00 N ATOM 9 CZ ARG A 22 -8.605 14.653 -3.998 1.00 0.00 C ATOM 10 NH1 ARG A 22 -8.180 15.503 -4.925 1.00 0.00 N ATOM 11 NH2 ARG A 22 -9.859 14.720 -3.572 1.00 0.00 N ATOM 0 HA ARG A 22 -5.898 12.311 -7.977 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.497 14.193 -6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.987 13.429 -6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.637 11.684 -4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.175 12.535 -5.327 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.811 13.176 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.963 14.560 -4.126 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.148 13.100 -2.786 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.217 15.456 -5.257 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.817 16.203 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.191 14.069 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.491 15.422 -3.956 1.00 0.00 H new ATOM 27 N LEU A 23 -6.203 10.124 -6.787 1.00 0.00 N ATOM 28 CA LEU A 23 -6.382 8.740 -6.373 1.00 0.00 C ATOM 29 C LEU A 23 -6.195 8.602 -4.867 1.00 0.00 C ATOM 30 O LEU A 23 -5.296 9.204 -4.284 1.00 0.00 O ATOM 31 CB LEU A 23 -5.413 7.827 -7.133 1.00 0.00 C ATOM 32 CG LEU A 23 -5.498 7.877 -8.673 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.526 6.471 -9.253 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.713 8.665 -9.155 1.00 0.00 C ATOM 0 H LEU A 23 -5.235 10.446 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.400 8.433 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.396 8.084 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.588 6.800 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.606 8.394 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.586 6.527 -10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.618 5.941 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.394 5.936 -8.869 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.732 8.674 -10.245 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.623 8.196 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.653 9.689 -8.785 1.00 0.00 H new ATOM 46 N ARG A 24 -7.068 7.818 -4.241 1.00 0.00 N ATOM 47 CA ARG A 24 -7.020 7.607 -2.800 1.00 0.00 C ATOM 48 C ARG A 24 -6.375 6.263 -2.464 1.00 0.00 C ATOM 49 O ARG A 24 -6.793 5.218 -2.962 1.00 0.00 O ATOM 50 CB ARG A 24 -8.437 7.694 -2.213 1.00 0.00 C ATOM 51 CG ARG A 24 -8.666 6.833 -0.977 1.00 0.00 C ATOM 52 CD ARG A 24 -9.820 7.360 -0.139 1.00 0.00 C ATOM 53 NE ARG A 24 -11.115 6.928 -0.660 1.00 0.00 N ATOM 54 CZ ARG A 24 -12.269 7.521 -0.363 1.00 0.00 C ATOM 55 NH1 ARG A 24 -12.295 8.568 0.452 1.00 0.00 N ATOM 56 NH2 ARG A 24 -13.401 7.065 -0.883 1.00 0.00 N ATOM 0 H ARG A 24 -7.820 7.317 -4.713 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.405 8.389 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.648 8.733 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.153 7.401 -2.981 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.874 5.807 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.758 6.810 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.709 7.015 0.889 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.783 8.449 -0.115 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.136 6.125 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.427 8.923 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.183 9.018 0.676 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.387 6.261 -1.510 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.286 7.519 -0.656 1.00 0.00 H new ATOM 70 N LEU A 25 -5.358 6.304 -1.610 1.00 0.00 N ATOM 71 CA LEU A 25 -4.654 5.101 -1.195 1.00 0.00 C ATOM 72 C LEU A 25 -5.310 4.501 0.042 1.00 0.00 C ATOM 73 O LEU A 25 -5.767 5.227 0.925 1.00 0.00 O ATOM 74 CB LEU A 25 -3.192 5.426 -0.902 1.00 0.00 C ATOM 75 CG LEU A 25 -2.221 4.268 -1.100 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.785 4.733 -0.939 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.526 3.143 -0.130 1.00 0.00 C ATOM 0 H LEU A 25 -5.003 7.164 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.703 4.373 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.884 6.252 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.113 5.775 0.128 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.346 3.892 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.111 3.889 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.567 5.504 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.645 5.141 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.822 2.326 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.434 3.509 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.542 2.784 -0.297 1.00 0.00 H new ATOM 89 N SER A 26 -5.357 3.177 0.101 1.00 0.00 N ATOM 90 CA SER A 26 -5.966 2.490 1.239 1.00 0.00 C ATOM 91 C SER A 26 -5.249 1.179 1.533 1.00 0.00 C ATOM 92 O SER A 26 -5.363 0.218 0.776 1.00 0.00 O ATOM 93 CB SER A 26 -7.448 2.224 0.968 1.00 0.00 C ATOM 94 OG SER A 26 -7.989 3.197 0.090 1.00 0.00 O ATOM 0 H SER A 26 -4.984 2.558 -0.619 1.00 0.00 H new ATOM 0 HA SER A 26 -5.873 3.137 2.112 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.569 1.231 0.535 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.000 2.231 1.908 1.00 0.00 H new ATOM 0 HG SER A 26 -8.965 3.209 0.177 1.00 0.00 H new ATOM 100 N VAL A 27 -4.510 1.143 2.637 1.00 0.00 N ATOM 101 CA VAL A 27 -3.776 -0.057 3.016 1.00 0.00 C ATOM 102 C VAL A 27 -4.547 -0.894 4.029 1.00 0.00 C ATOM 103 O VAL A 27 -4.824 -0.452 5.144 1.00 0.00 O ATOM 104 CB VAL A 27 -2.386 0.280 3.582 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.496 1.026 4.902 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.563 -0.985 3.745 1.00 0.00 C ATOM 0 H VAL A 27 -4.404 1.927 3.281 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.651 -0.640 2.103 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.880 0.935 2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.498 1.250 5.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.044 1.956 4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.025 0.407 5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.582 -0.732 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.071 -1.664 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.444 -1.469 2.776 1.00 0.00 H new ATOM 116 N PHE A 28 -4.892 -2.107 3.619 1.00 0.00 N ATOM 117 CA PHE A 28 -5.633 -3.027 4.457 1.00 0.00 C ATOM 118 C PHE A 28 -4.722 -4.064 5.104 1.00 0.00 C ATOM 119 O PHE A 28 -3.832 -4.619 4.459 1.00 0.00 O ATOM 120 CB PHE A 28 -6.700 -3.734 3.628 1.00 0.00 C ATOM 121 CG PHE A 28 -7.972 -3.924 4.387 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.661 -2.826 4.867 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.466 -5.191 4.640 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.825 -2.986 5.586 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.629 -5.359 5.362 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.311 -4.255 5.836 1.00 0.00 C ATOM 0 H PHE A 28 -4.664 -2.476 2.696 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.100 -2.447 5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.900 -3.155 2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.323 -4.705 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.283 -1.833 4.676 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.936 -6.056 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.357 -2.121 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.006 -6.352 5.557 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.222 -4.384 6.401 1.00 0.00 H new ATOM 136 N ARG A 29 -4.964 -4.324 6.383 1.00 0.00 N ATOM 137 CA ARG A 29 -4.193 -5.294 7.135 1.00 0.00 C ATOM 138 C ARG A 29 -5.101 -6.037 8.110 1.00 0.00 C ATOM 139 O ARG A 29 -5.709 -5.427 8.990 1.00 0.00 O ATOM 140 CB ARG A 29 -3.062 -4.590 7.880 1.00 0.00 C ATOM 141 CG ARG A 29 -1.698 -5.187 7.593 1.00 0.00 C ATOM 142 CD ARG A 29 -1.321 -6.280 8.584 1.00 0.00 C ATOM 143 NE ARG A 29 -2.369 -6.547 9.573 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.379 -6.039 10.806 1.00 0.00 C ATOM 145 NH1 ARG A 29 -1.408 -5.229 11.212 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.369 -6.337 11.637 1.00 0.00 N ATOM 0 H ARG A 29 -5.699 -3.867 6.923 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.757 -6.020 6.449 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.055 -3.535 7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.255 -4.639 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.690 -5.598 6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.946 -4.399 7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.103 -7.198 8.038 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.406 -5.992 9.102 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.138 -7.159 9.301 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.645 -4.990 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.425 -4.846 12.157 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.122 -6.954 11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.377 -5.949 12.580 1.00 0.00 H new ATOM 160 N SER A 30 -5.201 -7.353 7.946 1.00 0.00 N ATOM 161 CA SER A 30 -6.052 -8.161 8.815 1.00 0.00 C ATOM 162 C SER A 30 -5.272 -8.649 10.032 1.00 0.00 C ATOM 163 O SER A 30 -5.358 -8.066 11.113 1.00 0.00 O ATOM 164 CB SER A 30 -6.625 -9.351 8.043 1.00 0.00 C ATOM 165 OG SER A 30 -7.132 -10.337 8.926 1.00 0.00 O ATOM 0 H SER A 30 -4.708 -7.880 7.225 1.00 0.00 H new ATOM 0 HA SER A 30 -6.876 -7.537 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.420 -9.009 7.380 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.850 -9.787 7.413 1.00 0.00 H new ATOM 0 HG SER A 30 -7.494 -11.086 8.407 1.00 0.00 H new ATOM 171 N LEU A 31 -4.502 -9.713 9.844 1.00 0.00 N ATOM 172 CA LEU A 31 -3.691 -10.276 10.916 1.00 0.00 C ATOM 173 C LEU A 31 -2.249 -10.407 10.450 1.00 0.00 C ATOM 174 O LEU A 31 -1.353 -9.730 10.954 1.00 0.00 O ATOM 175 CB LEU A 31 -4.239 -11.642 11.340 1.00 0.00 C ATOM 176 CG LEU A 31 -4.374 -11.845 12.849 1.00 0.00 C ATOM 177 CD1 LEU A 31 -3.004 -11.867 13.510 1.00 0.00 C ATOM 178 CD2 LEU A 31 -5.244 -10.756 13.457 1.00 0.00 C ATOM 0 H LEU A 31 -4.422 -10.206 8.954 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.729 -9.610 11.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.218 -11.782 10.881 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.586 -12.418 10.941 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.855 -12.807 13.025 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.120 -12.012 14.584 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.413 -12.684 13.095 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.496 -10.921 13.325 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.329 -10.916 14.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.792 -9.782 13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.236 -10.788 13.006 1.00 0.00 H new ATOM 190 N LYS A 32 -2.043 -11.269 9.464 1.00 0.00 N ATOM 191 CA LYS A 32 -0.722 -11.485 8.893 1.00 0.00 C ATOM 192 C LYS A 32 -0.727 -11.128 7.407 1.00 0.00 C ATOM 193 O LYS A 32 0.161 -11.535 6.658 1.00 0.00 O ATOM 194 CB LYS A 32 -0.295 -12.943 9.083 1.00 0.00 C ATOM 195 CG LYS A 32 0.969 -13.104 9.911 1.00 0.00 C ATOM 196 CD LYS A 32 1.758 -14.336 9.494 1.00 0.00 C ATOM 197 CE LYS A 32 1.687 -15.429 10.549 1.00 0.00 C ATOM 198 NZ LYS A 32 0.504 -16.312 10.356 1.00 0.00 N ATOM 0 H LYS A 32 -2.780 -11.833 9.041 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.009 -10.841 9.408 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.106 -13.491 9.563 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.139 -13.398 8.105 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.593 -12.217 9.800 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.706 -13.179 10.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.369 -14.716 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.799 -14.062 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.597 -16.028 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.644 -14.975 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.492 -17.043 11.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.366 -15.745 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.558 -16.765 9.422 1.00 0.00 H new ATOM 212 N HIS A 33 -1.744 -10.374 6.985 1.00 0.00 N ATOM 213 CA HIS A 33 -1.875 -9.974 5.589 1.00 0.00 C ATOM 214 C HIS A 33 -1.793 -8.461 5.429 1.00 0.00 C ATOM 215 O HIS A 33 -2.343 -7.706 6.230 1.00 0.00 O ATOM 216 CB HIS A 33 -3.204 -10.473 5.018 1.00 0.00 C ATOM 217 CG HIS A 33 -3.222 -11.941 4.740 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.128 -12.538 3.889 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.434 -12.936 5.205 1.00 0.00 C ATOM 220 CE1 HIS A 33 -3.897 -13.838 3.845 1.00 0.00 C ATOM 221 NE2 HIS A 33 -2.873 -14.105 4.634 1.00 0.00 N ATOM 0 H HIS A 33 -2.487 -10.030 7.593 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.046 -10.423 5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.004 -10.235 5.719 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.419 -9.934 4.095 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.612 -12.831 5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.451 -14.559 3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.473 -15.030 4.794 1.00 0.00 H new ATOM 230 N ILE A 34 -1.114 -8.034 4.373 1.00 0.00 N ATOM 231 CA ILE A 34 -0.957 -6.624 4.067 1.00 0.00 C ATOM 232 C ILE A 34 -1.374 -6.369 2.623 1.00 0.00 C ATOM 233 O ILE A 34 -0.940 -7.077 1.715 1.00 0.00 O ATOM 234 CB ILE A 34 0.501 -6.177 4.267 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.661 -4.705 3.903 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.434 -7.039 3.432 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.078 -3.778 4.837 1.00 0.00 C ATOM 0 H ILE A 34 -0.658 -8.657 3.707 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.590 -6.050 4.744 1.00 0.00 H new ATOM 0 HB ILE A 34 0.763 -6.300 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.720 -4.449 3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.302 -4.548 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.463 -6.713 3.582 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.336 -8.081 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.173 -6.942 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.077 -2.746 4.523 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.143 -4.009 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.298 -3.909 5.852 1.00 0.00 H new ATOM 249 N TYR A 35 -2.238 -5.382 2.409 1.00 0.00 N ATOM 250 CA TYR A 35 -2.715 -5.093 1.063 1.00 0.00 C ATOM 251 C TYR A 35 -2.939 -3.603 0.828 1.00 0.00 C ATOM 252 O TYR A 35 -3.870 -3.022 1.374 1.00 0.00 O ATOM 253 CB TYR A 35 -4.030 -5.839 0.814 1.00 0.00 C ATOM 254 CG TYR A 35 -3.849 -7.317 0.546 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.476 -8.187 1.562 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.047 -7.841 -0.726 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.304 -9.536 1.320 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.879 -9.190 -0.976 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.508 -10.033 0.050 1.00 0.00 C ATOM 260 OH TYR A 35 -3.339 -11.377 -0.195 1.00 0.00 O ATOM 0 H TYR A 35 -2.617 -4.778 3.138 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.942 -5.426 0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.679 -5.713 1.681 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.540 -5.385 -0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.318 -7.802 2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.337 -7.183 -1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.011 -10.198 2.121 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.038 -9.582 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.522 -11.563 -1.140 1.00 0.00 H new ATOM 270 N ALA A 36 -2.124 -2.994 -0.030 1.00 0.00 N ATOM 271 CA ALA A 36 -2.306 -1.587 -0.351 1.00 0.00 C ATOM 272 C ALA A 36 -3.170 -1.471 -1.586 1.00 0.00 C ATOM 273 O ALA A 36 -2.835 -1.995 -2.650 1.00 0.00 O ATOM 274 CB ALA A 36 -0.985 -0.863 -0.574 1.00 0.00 C ATOM 0 H ALA A 36 -1.344 -3.447 -0.507 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.789 -1.110 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.179 0.183 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.379 -0.925 0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.450 -1.329 -1.402 1.00 0.00 H new ATOM 280 N GLN A 37 -4.287 -0.793 -1.432 1.00 0.00 N ATOM 281 CA GLN A 37 -5.222 -0.606 -2.525 1.00 0.00 C ATOM 282 C GLN A 37 -5.237 0.843 -2.968 1.00 0.00 C ATOM 283 O GLN A 37 -5.676 1.727 -2.233 1.00 0.00 O ATOM 284 CB GLN A 37 -6.629 -1.040 -2.106 1.00 0.00 C ATOM 285 CG GLN A 37 -7.295 -1.979 -3.098 1.00 0.00 C ATOM 286 CD GLN A 37 -7.498 -3.373 -2.537 1.00 0.00 C ATOM 287 OE1 GLN A 37 -7.131 -4.367 -3.164 1.00 0.00 O ATOM 288 NE2 GLN A 37 -8.084 -3.453 -1.348 1.00 0.00 N ATOM 0 H GLN A 37 -4.573 -0.359 -0.554 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.898 -1.225 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.575 -1.530 -1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.252 -0.154 -1.982 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.260 -1.566 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.686 -2.040 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.372 -2.603 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.246 -4.364 -0.919 1.00 0.00 H new ATOM 297 N ILE A 38 -4.763 1.076 -4.177 1.00 0.00 N ATOM 298 CA ILE A 38 -4.730 2.414 -4.729 1.00 0.00 C ATOM 299 C ILE A 38 -5.951 2.625 -5.610 1.00 0.00 C ATOM 300 O ILE A 38 -6.022 2.119 -6.734 1.00 0.00 O ATOM 301 CB ILE A 38 -3.442 2.679 -5.533 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.267 1.834 -4.983 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.123 4.167 -5.507 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.377 2.538 -3.979 1.00 0.00 C ATOM 0 H ILE A 38 -4.395 0.353 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.741 3.121 -3.899 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.596 2.378 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.674 0.937 -4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.653 1.507 -5.822 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.212 4.354 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.948 4.724 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.980 4.490 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.586 1.861 -3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.933 3.420 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.970 2.841 -3.116 1.00 0.00 H new ATOM 316 N ILE A 39 -6.928 3.339 -5.061 1.00 0.00 N ATOM 317 CA ILE A 39 -8.189 3.595 -5.750 1.00 0.00 C ATOM 318 C ILE A 39 -8.234 4.972 -6.401 1.00 0.00 C ATOM 319 O ILE A 39 -7.480 5.873 -6.038 1.00 0.00 O ATOM 320 CB ILE A 39 -9.371 3.494 -4.765 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.261 2.220 -3.927 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.699 3.541 -5.503 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.582 2.442 -2.594 1.00 0.00 C ATOM 0 H ILE A 39 -6.870 3.755 -4.131 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.266 2.838 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.330 4.352 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.259 1.817 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.706 1.469 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.517 3.468 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.778 4.481 -6.049 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.756 2.708 -6.204 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.535 1.500 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.572 2.816 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.149 3.170 -2.014 1.00 0.00 H new ATOM 335 N ASP A 40 -9.157 5.127 -7.346 1.00 0.00 N ATOM 336 CA ASP A 40 -9.353 6.391 -8.033 1.00 0.00 C ATOM 337 C ASP A 40 -10.419 7.192 -7.301 1.00 0.00 C ATOM 338 O ASP A 40 -11.570 6.745 -7.184 1.00 0.00 O ATOM 339 CB ASP A 40 -9.773 6.168 -9.488 1.00 0.00 C ATOM 340 CG ASP A 40 -9.202 7.219 -10.420 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.625 8.391 -10.323 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.333 6.871 -11.245 1.00 0.00 O ATOM 0 H ASP A 40 -9.784 4.383 -7.652 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.411 6.940 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.443 5.181 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.861 6.178 -9.555 1.00 0.00 H new ATOM 347 N ASP A 41 -10.007 8.356 -6.795 1.00 0.00 N ATOM 348 CA ASP A 41 -10.880 9.251 -6.033 1.00 0.00 C ATOM 349 C ASP A 41 -11.563 10.288 -6.924 1.00 0.00 C ATOM 350 O ASP A 41 -12.029 11.322 -6.445 1.00 0.00 O ATOM 351 CB ASP A 41 -10.080 9.959 -4.939 1.00 0.00 C ATOM 352 CG ASP A 41 -10.936 10.324 -3.742 1.00 0.00 C ATOM 353 OD1 ASP A 41 -12.021 9.725 -3.582 1.00 0.00 O ATOM 354 OD2 ASP A 41 -10.523 11.210 -2.965 1.00 0.00 O ATOM 0 H ASP A 41 -9.055 8.706 -6.903 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.660 8.636 -5.583 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.263 9.314 -4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.629 10.863 -5.349 1.00 0.00 H new ATOM 359 N GLU A 42 -11.669 9.976 -8.204 1.00 0.00 N ATOM 360 CA GLU A 42 -12.355 10.840 -9.162 1.00 0.00 C ATOM 361 C GLU A 42 -13.651 10.133 -9.478 1.00 0.00 C ATOM 362 O GLU A 42 -14.747 10.684 -9.384 1.00 0.00 O ATOM 363 CB GLU A 42 -11.515 11.039 -10.428 1.00 0.00 C ATOM 364 CG GLU A 42 -12.264 11.731 -11.556 1.00 0.00 C ATOM 365 CD GLU A 42 -11.337 12.278 -12.623 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.647 11.471 -13.281 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.300 13.514 -12.801 1.00 0.00 O ATOM 0 H GLU A 42 -11.286 9.123 -8.611 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.526 11.837 -8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.630 11.625 -10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.166 10.068 -10.778 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.960 11.026 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.860 12.546 -11.145 1.00 0.00 H new ATOM 374 N LYS A 43 -13.471 8.856 -9.747 1.00 0.00 N ATOM 375 CA LYS A 43 -14.539 7.925 -9.973 1.00 0.00 C ATOM 376 C LYS A 43 -14.143 6.693 -9.186 1.00 0.00 C ATOM 377 O LYS A 43 -13.088 6.118 -9.446 1.00 0.00 O ATOM 378 CB LYS A 43 -14.682 7.596 -11.460 1.00 0.00 C ATOM 379 CG LYS A 43 -15.639 8.518 -12.200 1.00 0.00 C ATOM 380 CD LYS A 43 -14.893 9.550 -13.032 1.00 0.00 C ATOM 381 CE LYS A 43 -15.499 9.693 -14.419 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.484 8.407 -15.171 1.00 0.00 N ATOM 0 H LYS A 43 -12.546 8.432 -9.815 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.503 8.326 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.701 7.651 -11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.028 6.568 -11.564 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.286 7.927 -12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -16.284 9.026 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.915 10.514 -12.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.846 9.260 -13.120 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.525 10.049 -14.331 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.947 10.447 -14.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.442 8.602 -16.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.652 7.850 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.348 7.870 -14.957 1.00 0.00 H new ATOM 396 N GLY A 44 -14.945 6.312 -8.203 1.00 0.00 N ATOM 397 CA GLY A 44 -14.595 5.167 -7.381 1.00 0.00 C ATOM 398 C GLY A 44 -14.088 4.006 -8.206 1.00 0.00 C ATOM 399 O GLY A 44 -14.873 3.183 -8.677 1.00 0.00 O ATOM 0 H GLY A 44 -15.824 6.768 -7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.831 5.459 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.468 4.851 -6.810 1.00 0.00 H new ATOM 403 N VAL A 45 -12.773 3.959 -8.421 1.00 0.00 N ATOM 404 CA VAL A 45 -12.197 2.899 -9.247 1.00 0.00 C ATOM 405 C VAL A 45 -10.903 2.323 -8.674 1.00 0.00 C ATOM 406 O VAL A 45 -9.874 2.988 -8.663 1.00 0.00 O ATOM 407 CB VAL A 45 -11.907 3.432 -10.665 1.00 0.00 C ATOM 408 CG1 VAL A 45 -11.289 2.347 -11.538 1.00 0.00 C ATOM 409 CG2 VAL A 45 -13.177 3.979 -11.302 1.00 0.00 C ATOM 0 H VAL A 45 -12.100 4.626 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.937 2.099 -9.271 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.188 4.247 -10.581 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.094 2.748 -12.533 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.353 2.011 -11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.977 1.505 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.952 4.350 -12.302 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.921 3.186 -11.369 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.568 4.793 -10.692 1.00 0.00 H new ATOM 419 N THR A 46 -10.947 1.063 -8.249 1.00 0.00 N ATOM 420 CA THR A 46 -9.755 0.401 -7.729 1.00 0.00 C ATOM 421 C THR A 46 -8.819 0.077 -8.888 1.00 0.00 C ATOM 422 O THR A 46 -9.176 -0.682 -9.788 1.00 0.00 O ATOM 423 CB THR A 46 -10.126 -0.878 -6.973 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.231 -0.651 -6.116 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.993 -1.424 -6.127 1.00 0.00 C ATOM 0 H THR A 46 -11.787 0.485 -8.254 1.00 0.00 H new ATOM 0 HA THR A 46 -9.254 1.069 -7.028 1.00 0.00 H new ATOM 0 HB THR A 46 -10.368 -1.610 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.454 -1.480 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.323 -2.330 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.141 -1.656 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.700 -0.679 -5.387 1.00 0.00 H new ATOM 433 N LEU A 47 -7.633 0.676 -8.881 1.00 0.00 N ATOM 434 CA LEU A 47 -6.675 0.463 -9.959 1.00 0.00 C ATOM 435 C LEU A 47 -5.602 -0.552 -9.590 1.00 0.00 C ATOM 436 O LEU A 47 -5.429 -1.556 -10.280 1.00 0.00 O ATOM 437 CB LEU A 47 -6.013 1.782 -10.355 1.00 0.00 C ATOM 438 CG LEU A 47 -6.931 2.996 -10.332 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.962 3.630 -8.950 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.495 4.006 -11.379 1.00 0.00 C ATOM 0 H LEU A 47 -7.314 1.308 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.237 0.063 -10.803 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.175 1.966 -9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.600 1.677 -11.358 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.942 2.665 -10.569 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.625 4.495 -8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.326 2.903 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.957 3.947 -8.673 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.160 4.869 -11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.474 4.328 -11.171 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.537 3.547 -12.367 1.00 0.00 H new ATOM 452 N VAL A 48 -4.862 -0.281 -8.520 1.00 0.00 N ATOM 453 CA VAL A 48 -3.790 -1.178 -8.110 1.00 0.00 C ATOM 454 C VAL A 48 -4.006 -1.731 -6.704 1.00 0.00 C ATOM 455 O VAL A 48 -4.476 -1.033 -5.808 1.00 0.00 O ATOM 456 CB VAL A 48 -2.419 -0.464 -8.199 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.471 -0.924 -7.101 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.801 -0.693 -9.569 1.00 0.00 C ATOM 0 H VAL A 48 -4.983 0.541 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.799 -2.023 -8.799 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.587 0.603 -8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.520 -0.400 -7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.909 -0.705 -6.127 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.304 -1.997 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.837 -0.187 -9.622 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.659 -1.762 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.463 -0.295 -10.338 1.00 0.00 H new ATOM 468 N SER A 49 -3.641 -2.997 -6.531 1.00 0.00 N ATOM 469 CA SER A 49 -3.765 -3.675 -5.249 1.00 0.00 C ATOM 470 C SER A 49 -2.680 -4.739 -5.118 1.00 0.00 C ATOM 471 O SER A 49 -2.656 -5.708 -5.876 1.00 0.00 O ATOM 472 CB SER A 49 -5.150 -4.308 -5.111 1.00 0.00 C ATOM 473 OG SER A 49 -5.426 -5.175 -6.197 1.00 0.00 O ATOM 0 H SER A 49 -3.253 -3.579 -7.273 1.00 0.00 H new ATOM 0 HA SER A 49 -3.641 -2.943 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.208 -4.863 -4.175 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.908 -3.526 -5.065 1.00 0.00 H new ATOM 0 HG SER A 49 -4.613 -5.666 -6.438 1.00 0.00 H new ATOM 479 N ALA A 50 -1.774 -4.546 -4.166 1.00 0.00 N ATOM 480 CA ALA A 50 -0.678 -5.489 -3.959 1.00 0.00 C ATOM 481 C ALA A 50 -0.627 -5.990 -2.522 1.00 0.00 C ATOM 482 O ALA A 50 -1.200 -5.380 -1.620 1.00 0.00 O ATOM 483 CB ALA A 50 0.649 -4.845 -4.336 1.00 0.00 C ATOM 0 H ALA A 50 -1.775 -3.750 -3.528 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.858 -6.349 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.458 -5.558 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.626 -4.551 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.815 -3.964 -3.716 1.00 0.00 H new ATOM 489 N SER A 51 0.071 -7.104 -2.319 1.00 0.00 N ATOM 490 CA SER A 51 0.210 -7.697 -0.994 1.00 0.00 C ATOM 491 C SER A 51 1.600 -8.302 -0.814 1.00 0.00 C ATOM 492 O SER A 51 2.127 -8.951 -1.717 1.00 0.00 O ATOM 493 CB SER A 51 -0.858 -8.769 -0.776 1.00 0.00 C ATOM 494 OG SER A 51 -1.365 -9.243 -2.011 1.00 0.00 O ATOM 0 H SER A 51 0.551 -7.616 -3.060 1.00 0.00 H new ATOM 0 HA SER A 51 0.077 -6.908 -0.254 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.434 -9.599 -0.211 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.672 -8.359 -0.178 1.00 0.00 H new ATOM 0 HG SER A 51 -2.231 -9.678 -1.864 1.00 0.00 H new ATOM 500 N SER A 52 2.187 -8.081 0.357 1.00 0.00 N ATOM 501 CA SER A 52 3.517 -8.598 0.661 1.00 0.00 C ATOM 502 C SER A 52 3.552 -10.121 0.565 1.00 0.00 C ATOM 503 O SER A 52 4.560 -10.702 0.164 1.00 0.00 O ATOM 504 CB SER A 52 3.952 -8.142 2.053 1.00 0.00 C ATOM 505 OG SER A 52 3.450 -9.007 3.058 1.00 0.00 O ATOM 0 H SER A 52 1.761 -7.546 1.114 1.00 0.00 H new ATOM 0 HA SER A 52 4.214 -8.200 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.040 -8.113 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.597 -7.127 2.233 1.00 0.00 H new ATOM 0 HG SER A 52 3.549 -8.582 3.935 1.00 0.00 H new ATOM 511 N LEU A 53 2.444 -10.761 0.926 1.00 0.00 N ATOM 512 CA LEU A 53 2.349 -12.217 0.870 1.00 0.00 C ATOM 513 C LEU A 53 2.247 -12.712 -0.574 1.00 0.00 C ATOM 514 O LEU A 53 2.295 -13.915 -0.832 1.00 0.00 O ATOM 515 CB LEU A 53 1.135 -12.699 1.670 1.00 0.00 C ATOM 516 CG LEU A 53 -0.224 -12.348 1.061 1.00 0.00 C ATOM 517 CD1 LEU A 53 -0.622 -13.374 0.008 1.00 0.00 C ATOM 518 CD2 LEU A 53 -1.285 -12.254 2.148 1.00 0.00 C ATOM 0 H LEU A 53 1.600 -10.296 1.260 1.00 0.00 H new ATOM 0 HA LEU A 53 3.258 -12.628 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.198 -13.782 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.188 -12.274 2.672 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.143 -11.376 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.591 -13.106 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.126 -13.390 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.686 -14.361 0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.246 -12.004 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.364 -13.211 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.006 -11.480 2.863 1.00 0.00 H new ATOM 530 N ALA A 54 2.099 -11.778 -1.510 1.00 0.00 N ATOM 531 CA ALA A 54 1.981 -12.111 -2.924 1.00 0.00 C ATOM 532 C ALA A 54 3.340 -12.360 -3.559 1.00 0.00 C ATOM 533 O ALA A 54 3.610 -13.434 -4.095 1.00 0.00 O ATOM 534 CB ALA A 54 1.292 -10.974 -3.658 1.00 0.00 C ATOM 0 H ALA A 54 2.058 -10.778 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 54 1.395 -13.027 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.204 -11.224 -4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.298 -10.819 -3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.878 -10.062 -3.548 1.00 0.00 H new ATOM 540 N LEU A 55 4.174 -11.334 -3.514 1.00 0.00 N ATOM 541 CA LEU A 55 5.502 -11.382 -4.101 1.00 0.00 C ATOM 542 C LEU A 55 6.305 -12.587 -3.619 1.00 0.00 C ATOM 543 O LEU A 55 6.996 -13.231 -4.409 1.00 0.00 O ATOM 544 CB LEU A 55 6.252 -10.086 -3.791 1.00 0.00 C ATOM 545 CG LEU A 55 5.432 -8.796 -3.944 1.00 0.00 C ATOM 546 CD1 LEU A 55 4.360 -8.942 -5.015 1.00 0.00 C ATOM 547 CD2 LEU A 55 4.815 -8.403 -2.613 1.00 0.00 C ATOM 0 H LEU A 55 3.949 -10.444 -3.069 1.00 0.00 H new ATOM 0 HA LEU A 55 5.382 -11.488 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.627 -10.139 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.121 -10.024 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 55 6.108 -8.003 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.799 -8.011 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.830 -9.168 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.683 -9.752 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.237 -7.487 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.160 -9.202 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.605 -8.237 -1.880 1.00 0.00 H new ATOM 559 N LYS A 56 6.219 -12.896 -2.329 1.00 0.00 N ATOM 560 CA LYS A 56 6.955 -14.034 -1.779 1.00 0.00 C ATOM 561 C LYS A 56 6.714 -14.201 -0.281 1.00 0.00 C ATOM 562 O LYS A 56 6.681 -15.322 0.226 1.00 0.00 O ATOM 563 CB LYS A 56 8.454 -13.871 -2.041 1.00 0.00 C ATOM 564 CG LYS A 56 9.001 -12.515 -1.627 1.00 0.00 C ATOM 565 CD LYS A 56 10.255 -12.157 -2.408 1.00 0.00 C ATOM 566 CE LYS A 56 9.916 -11.471 -3.721 1.00 0.00 C ATOM 567 NZ LYS A 56 10.936 -11.746 -4.771 1.00 0.00 N ATOM 0 H LYS A 56 5.655 -12.383 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 56 6.587 -14.929 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.995 -14.651 -1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.647 -14.022 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.241 -11.751 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.225 -12.522 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.885 -11.502 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.832 -13.060 -2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.939 -11.810 -4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.842 -10.396 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.668 -11.260 -5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.864 -11.400 -4.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.989 -12.770 -4.943 1.00 0.00 H new ATOM 581 N LEU A 57 6.560 -13.083 0.423 1.00 0.00 N ATOM 582 CA LEU A 57 6.336 -13.104 1.869 1.00 0.00 C ATOM 583 C LEU A 57 5.347 -14.196 2.274 1.00 0.00 C ATOM 584 O LEU A 57 4.405 -14.498 1.542 1.00 0.00 O ATOM 585 CB LEU A 57 5.827 -11.744 2.343 1.00 0.00 C ATOM 586 CG LEU A 57 6.072 -11.441 3.819 1.00 0.00 C ATOM 587 CD1 LEU A 57 5.889 -9.956 4.091 1.00 0.00 C ATOM 588 CD2 LEU A 57 5.145 -12.271 4.698 1.00 0.00 C ATOM 0 H LEU A 57 6.586 -12.148 0.016 1.00 0.00 H new ATOM 0 HA LEU A 57 7.291 -13.323 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.302 -10.967 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.756 -11.686 2.149 1.00 0.00 H new ATOM 0 HG LEU A 57 7.100 -11.710 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.067 -9.755 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.597 -9.386 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.872 -9.661 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.335 -12.041 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.108 -12.036 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.328 -13.331 4.520 1.00 0.00 H new ATOM 600 N LYS A 58 5.575 -14.786 3.443 1.00 0.00 N ATOM 601 CA LYS A 58 4.710 -15.845 3.947 1.00 0.00 C ATOM 602 C LYS A 58 4.322 -15.593 5.402 1.00 0.00 C ATOM 603 O LYS A 58 3.140 -15.590 5.747 1.00 0.00 O ATOM 604 CB LYS A 58 5.406 -17.202 3.820 1.00 0.00 C ATOM 605 CG LYS A 58 4.488 -18.313 3.332 1.00 0.00 C ATOM 606 CD LYS A 58 4.972 -18.901 2.016 1.00 0.00 C ATOM 607 CE LYS A 58 3.834 -19.547 1.241 1.00 0.00 C ATOM 608 NZ LYS A 58 3.872 -19.187 -0.203 1.00 0.00 N ATOM 0 H LYS A 58 6.352 -14.548 4.059 1.00 0.00 H new ATOM 0 HA LYS A 58 3.800 -15.851 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.246 -17.107 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.818 -17.482 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.435 -19.099 4.085 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.478 -17.923 3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.426 -18.116 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.747 -19.642 2.211 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.892 -20.630 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.881 -19.235 1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.080 -19.647 -0.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.792 -18.155 -0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.771 -19.507 -0.617 1.00 0.00 H new ATOM 622 N GLY A 59 5.324 -15.389 6.253 1.00 0.00 N ATOM 623 CA GLY A 59 5.063 -15.149 7.662 1.00 0.00 C ATOM 624 C GLY A 59 5.584 -13.807 8.145 1.00 0.00 C ATOM 625 O GLY A 59 5.118 -13.286 9.159 1.00 0.00 O ATOM 0 H GLY A 59 6.310 -15.386 5.993 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.989 -15.200 7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.522 -15.943 8.251 1.00 0.00 H new ATOM 629 N ASN A 60 6.554 -13.245 7.427 1.00 0.00 N ATOM 630 CA ASN A 60 7.134 -11.957 7.801 1.00 0.00 C ATOM 631 C ASN A 60 6.047 -10.909 8.029 1.00 0.00 C ATOM 632 O ASN A 60 4.878 -11.135 7.717 1.00 0.00 O ATOM 633 CB ASN A 60 8.102 -11.474 6.719 1.00 0.00 C ATOM 634 CG ASN A 60 9.065 -12.559 6.277 1.00 0.00 C ATOM 635 OD1 ASN A 60 8.801 -13.287 5.321 1.00 0.00 O ATOM 636 ND2 ASN A 60 10.189 -12.673 6.975 1.00 0.00 N ATOM 0 H ASN A 60 6.954 -13.660 6.585 1.00 0.00 H new ATOM 0 HA ASN A 60 7.680 -12.095 8.734 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.534 -11.124 5.857 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.668 -10.622 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.874 -13.386 6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.367 -12.048 7.761 1.00 0.00 H new ATOM 643 N LYS A 61 6.441 -9.763 8.577 1.00 0.00 N ATOM 644 CA LYS A 61 5.498 -8.684 8.849 1.00 0.00 C ATOM 645 C LYS A 61 5.955 -7.377 8.199 1.00 0.00 C ATOM 646 O LYS A 61 5.528 -7.044 7.094 1.00 0.00 O ATOM 647 CB LYS A 61 5.329 -8.497 10.360 1.00 0.00 C ATOM 648 CG LYS A 61 4.656 -9.674 11.047 1.00 0.00 C ATOM 649 CD LYS A 61 5.079 -9.784 12.503 1.00 0.00 C ATOM 650 CE LYS A 61 4.453 -8.688 13.349 1.00 0.00 C ATOM 651 NZ LYS A 61 5.304 -7.466 13.394 1.00 0.00 N ATOM 0 H LYS A 61 7.405 -9.558 8.841 1.00 0.00 H new ATOM 0 HA LYS A 61 4.535 -8.957 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.309 -8.336 10.810 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.743 -7.596 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.573 -9.560 10.989 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.908 -10.596 10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.788 -10.759 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.165 -9.724 12.573 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.473 -8.433 12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.294 -9.057 14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.212 -7.013 14.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.297 -7.729 13.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.998 -6.802 12.654 1.00 0.00 H new ATOM 665 N THR A 62 6.822 -6.638 8.890 1.00 0.00 N ATOM 666 CA THR A 62 7.330 -5.371 8.373 1.00 0.00 C ATOM 667 C THR A 62 8.646 -5.566 7.626 1.00 0.00 C ATOM 668 O THR A 62 9.506 -4.685 7.629 1.00 0.00 O ATOM 669 CB THR A 62 7.529 -4.375 9.517 1.00 0.00 C ATOM 670 OG1 THR A 62 8.660 -4.725 10.295 1.00 0.00 O ATOM 671 CG2 THR A 62 6.340 -4.289 10.448 1.00 0.00 C ATOM 0 H THR A 62 7.186 -6.895 9.807 1.00 0.00 H new ATOM 0 HA THR A 62 6.593 -4.977 7.673 1.00 0.00 H new ATOM 0 HB THR A 62 7.665 -3.406 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.772 -4.076 11.020 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.547 -3.565 11.236 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.461 -3.973 9.887 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.155 -5.267 10.893 1.00 0.00 H new ATOM 679 N GLU A 63 8.800 -6.721 6.988 1.00 0.00 N ATOM 680 CA GLU A 63 10.016 -7.020 6.242 1.00 0.00 C ATOM 681 C GLU A 63 9.858 -6.654 4.769 1.00 0.00 C ATOM 682 O GLU A 63 10.658 -5.897 4.220 1.00 0.00 O ATOM 683 CB GLU A 63 10.371 -8.503 6.379 1.00 0.00 C ATOM 684 CG GLU A 63 11.804 -8.746 6.825 1.00 0.00 C ATOM 685 CD GLU A 63 12.729 -9.061 5.667 1.00 0.00 C ATOM 686 OE1 GLU A 63 12.250 -9.621 4.658 1.00 0.00 O ATOM 687 OE2 GLU A 63 13.934 -8.748 5.767 1.00 0.00 O ATOM 0 H GLU A 63 8.100 -7.463 6.972 1.00 0.00 H new ATOM 0 HA GLU A 63 10.825 -6.420 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.693 -8.966 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.208 -8.997 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.172 -7.864 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.824 -9.572 7.536 1.00 0.00 H new ATOM 694 N VAL A 64 8.826 -7.199 4.134 1.00 0.00 N ATOM 695 CA VAL A 64 8.572 -6.931 2.724 1.00 0.00 C ATOM 696 C VAL A 64 7.587 -5.781 2.534 1.00 0.00 C ATOM 697 O VAL A 64 7.511 -5.211 1.450 1.00 0.00 O ATOM 698 CB VAL A 64 8.022 -8.178 2.001 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.704 -7.866 0.542 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.010 -9.331 2.102 1.00 0.00 C ATOM 0 H VAL A 64 8.153 -7.828 4.573 1.00 0.00 H new ATOM 0 HA VAL A 64 9.533 -6.654 2.290 1.00 0.00 H new ATOM 0 HB VAL A 64 7.095 -8.475 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.318 -8.761 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.956 -7.075 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.611 -7.539 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.606 -10.202 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.955 -9.042 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.178 -9.575 3.151 1.00 0.00 H new ATOM 710 N ALA A 65 6.826 -5.450 3.579 1.00 0.00 N ATOM 711 CA ALA A 65 5.837 -4.373 3.496 1.00 0.00 C ATOM 712 C ALA A 65 6.317 -3.229 2.610 1.00 0.00 C ATOM 713 O ALA A 65 5.546 -2.659 1.847 1.00 0.00 O ATOM 714 CB ALA A 65 5.488 -3.860 4.878 1.00 0.00 C ATOM 0 H ALA A 65 6.875 -5.909 4.488 1.00 0.00 H new ATOM 0 HA ALA A 65 4.940 -4.790 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.752 -3.060 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.074 -4.673 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.387 -3.477 5.361 1.00 0.00 H new ATOM 720 N ARG A 66 7.600 -2.914 2.686 1.00 0.00 N ATOM 721 CA ARG A 66 8.159 -1.858 1.854 1.00 0.00 C ATOM 722 C ARG A 66 8.178 -2.322 0.422 1.00 0.00 C ATOM 723 O ARG A 66 7.561 -1.724 -0.457 1.00 0.00 O ATOM 724 CB ARG A 66 9.567 -1.509 2.294 1.00 0.00 C ATOM 725 CG ARG A 66 9.789 -0.021 2.377 1.00 0.00 C ATOM 726 CD ARG A 66 10.993 0.407 1.573 1.00 0.00 C ATOM 727 NE ARG A 66 12.214 -0.267 2.013 1.00 0.00 N ATOM 728 CZ ARG A 66 13.431 0.271 1.942 1.00 0.00 C ATOM 729 NH1 ARG A 66 13.603 1.487 1.437 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.482 -0.412 2.375 1.00 0.00 N ATOM 0 H ARG A 66 8.269 -3.368 3.308 1.00 0.00 H new ATOM 0 HA ARG A 66 7.540 -0.966 1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.763 -1.958 3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.282 -1.942 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.904 0.500 2.013 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.924 0.270 3.419 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.820 0.192 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.123 1.486 1.661 1.00 0.00 H new ATOM 0 HE ARG A 66 12.129 -1.208 2.398 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.800 2.017 1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.538 1.891 1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.358 -1.348 2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.414 -0.002 2.321 1.00 0.00 H new ATOM 744 N GLN A 67 8.870 -3.423 0.209 1.00 0.00 N ATOM 745 CA GLN A 67 8.952 -4.025 -1.109 1.00 0.00 C ATOM 746 C GLN A 67 7.547 -4.176 -1.688 1.00 0.00 C ATOM 747 O GLN A 67 7.370 -4.228 -2.906 1.00 0.00 O ATOM 748 CB GLN A 67 9.645 -5.386 -1.034 1.00 0.00 C ATOM 749 CG GLN A 67 11.153 -5.311 -1.211 1.00 0.00 C ATOM 750 CD GLN A 67 11.866 -6.533 -0.667 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.137 -6.627 0.530 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.176 -7.478 -1.548 1.00 0.00 N ATOM 0 H GLN A 67 9.386 -3.922 0.934 1.00 0.00 H new ATOM 0 HA GLN A 67 9.541 -3.379 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.423 -5.845 -0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.229 -6.039 -1.802 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.386 -5.201 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.530 -4.421 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.932 -7.358 -2.531 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.658 -8.323 -1.241 1.00 0.00 H new ATOM 761 N VAL A 68 6.539 -4.215 -0.806 1.00 0.00 N ATOM 762 CA VAL A 68 5.162 -4.323 -1.263 1.00 0.00 C ATOM 763 C VAL A 68 4.665 -2.956 -1.704 1.00 0.00 C ATOM 764 O VAL A 68 3.891 -2.835 -2.654 1.00 0.00 O ATOM 765 CB VAL A 68 4.204 -4.925 -0.197 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.574 -3.863 0.703 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.116 -5.718 -0.894 1.00 0.00 C ATOM 0 H VAL A 68 6.655 -4.174 0.207 1.00 0.00 H new ATOM 0 HA VAL A 68 5.158 -5.017 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 68 4.799 -5.572 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.915 -4.343 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.359 -3.321 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.998 -3.166 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.442 -6.142 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.556 -5.061 -1.559 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.567 -6.522 -1.475 1.00 0.00 H new ATOM 777 N GLY A 69 5.137 -1.923 -1.010 1.00 0.00 N ATOM 778 CA GLY A 69 4.754 -0.575 -1.348 1.00 0.00 C ATOM 779 C GLY A 69 5.486 -0.093 -2.571 1.00 0.00 C ATOM 780 O GLY A 69 4.952 0.685 -3.341 1.00 0.00 O ATOM 0 H GLY A 69 5.778 -2.002 -0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.679 -0.533 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.966 0.088 -0.509 1.00 0.00 H new ATOM 784 N ARG A 70 6.727 -0.547 -2.738 1.00 0.00 N ATOM 785 CA ARG A 70 7.537 -0.142 -3.880 1.00 0.00 C ATOM 786 C ARG A 70 7.010 -0.791 -5.148 1.00 0.00 C ATOM 787 O ARG A 70 6.898 -0.140 -6.184 1.00 0.00 O ATOM 788 CB ARG A 70 9.015 -0.488 -3.654 1.00 0.00 C ATOM 789 CG ARG A 70 9.369 -1.945 -3.912 1.00 0.00 C ATOM 790 CD ARG A 70 9.703 -2.187 -5.375 1.00 0.00 C ATOM 791 NE ARG A 70 10.663 -3.276 -5.544 1.00 0.00 N ATOM 792 CZ ARG A 70 11.961 -3.168 -5.271 1.00 0.00 C ATOM 793 NH1 ARG A 70 12.459 -2.025 -4.816 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.765 -4.207 -5.454 1.00 0.00 N ATOM 0 H ARG A 70 7.190 -1.193 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 70 7.467 0.940 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.625 0.141 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.280 -0.239 -2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.219 -2.229 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.534 -2.581 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.789 -2.421 -5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.110 -1.274 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 70 10.318 -4.171 -5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.846 -1.222 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.455 -1.949 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.388 -5.088 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.760 -4.125 -5.245 1.00 0.00 H new ATOM 808 N ALA A 71 6.656 -2.067 -5.054 1.00 0.00 N ATOM 809 CA ALA A 71 6.106 -2.776 -6.195 1.00 0.00 C ATOM 810 C ALA A 71 4.761 -2.171 -6.556 1.00 0.00 C ATOM 811 O ALA A 71 4.464 -1.936 -7.725 1.00 0.00 O ATOM 812 CB ALA A 71 5.959 -4.255 -5.887 1.00 0.00 C ATOM 0 H ALA A 71 6.740 -2.626 -4.205 1.00 0.00 H new ATOM 0 HA ALA A 71 6.786 -2.677 -7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.545 -4.768 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.936 -4.676 -5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.290 -4.385 -5.036 1.00 0.00 H new ATOM 818 N LEU A 72 3.970 -1.887 -5.524 1.00 0.00 N ATOM 819 CA LEU A 72 2.666 -1.271 -5.697 1.00 0.00 C ATOM 820 C LEU A 72 2.855 0.119 -6.260 1.00 0.00 C ATOM 821 O LEU A 72 2.275 0.485 -7.282 1.00 0.00 O ATOM 822 CB LEU A 72 1.949 -1.193 -4.352 1.00 0.00 C ATOM 823 CG LEU A 72 0.504 -0.703 -4.410 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.460 -1.875 -4.487 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.196 0.157 -3.199 1.00 0.00 C ATOM 0 H LEU A 72 4.217 -2.077 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 72 2.063 -1.867 -6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.962 -2.182 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.514 -0.531 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 72 0.379 -0.101 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.483 -1.502 -4.527 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.251 -2.460 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.338 -2.505 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.837 0.501 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.339 -0.429 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.865 1.018 -3.184 1.00 0.00 H new ATOM 837 N ALA A 73 3.712 0.875 -5.589 1.00 0.00 N ATOM 838 CA ALA A 73 4.044 2.227 -6.016 1.00 0.00 C ATOM 839 C ALA A 73 4.549 2.194 -7.440 1.00 0.00 C ATOM 840 O ALA A 73 4.409 3.161 -8.182 1.00 0.00 O ATOM 841 CB ALA A 73 5.077 2.861 -5.089 1.00 0.00 C ATOM 0 H ALA A 73 4.193 0.573 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 73 3.145 2.841 -5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.305 3.870 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.678 2.905 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.987 2.262 -5.095 1.00 0.00 H new ATOM 847 N GLU A 74 5.099 1.052 -7.821 1.00 0.00 N ATOM 848 CA GLU A 74 5.586 0.851 -9.162 1.00 0.00 C ATOM 849 C GLU A 74 4.396 0.732 -10.104 1.00 0.00 C ATOM 850 O GLU A 74 4.424 1.213 -11.237 1.00 0.00 O ATOM 851 CB GLU A 74 6.426 -0.415 -9.199 1.00 0.00 C ATOM 852 CG GLU A 74 7.505 -0.397 -10.264 1.00 0.00 C ATOM 853 CD GLU A 74 7.697 -1.749 -10.924 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.517 -2.544 -10.419 1.00 0.00 O ATOM 855 OE2 GLU A 74 7.028 -2.011 -11.945 1.00 0.00 O ATOM 0 H GLU A 74 5.217 0.246 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 74 6.204 1.692 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.892 -0.561 -8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.772 -1.270 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.248 0.341 -11.024 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.446 -0.078 -9.817 1.00 0.00 H new ATOM 862 N LYS A 75 3.336 0.105 -9.597 1.00 0.00 N ATOM 863 CA LYS A 75 2.100 -0.070 -10.350 1.00 0.00 C ATOM 864 C LYS A 75 1.367 1.249 -10.445 1.00 0.00 C ATOM 865 O LYS A 75 1.191 1.803 -11.529 1.00 0.00 O ATOM 866 CB LYS A 75 1.197 -1.086 -9.666 1.00 0.00 C ATOM 867 CG LYS A 75 1.945 -2.257 -9.085 1.00 0.00 C ATOM 868 CD LYS A 75 1.002 -3.244 -8.423 1.00 0.00 C ATOM 869 CE LYS A 75 1.557 -4.659 -8.465 1.00 0.00 C ATOM 870 NZ LYS A 75 1.174 -5.442 -7.258 1.00 0.00 N ATOM 0 H LYS A 75 3.311 -0.293 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 75 2.354 -0.429 -11.347 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.641 -0.589 -8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.465 -1.453 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.505 -2.760 -9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.672 -1.900 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.833 -2.949 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.034 -3.217 -8.924 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.191 -5.166 -9.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.644 -4.621 -8.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.216 -6.458 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.832 -5.227 -6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.207 -5.189 -6.972 1.00 0.00 H new ATOM 884 N ALA A 76 0.956 1.754 -9.284 1.00 0.00 N ATOM 885 CA ALA A 76 0.255 3.035 -9.215 1.00 0.00 C ATOM 886 C ALA A 76 0.969 4.045 -10.094 1.00 0.00 C ATOM 887 O ALA A 76 0.354 4.813 -10.832 1.00 0.00 O ATOM 888 CB ALA A 76 0.201 3.549 -7.783 1.00 0.00 C ATOM 0 H ALA A 76 1.095 1.299 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.767 2.893 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.325 4.503 -7.759 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.325 2.828 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.215 3.684 -7.407 1.00 0.00 H new ATOM 894 N LEU A 77 2.288 4.005 -10.014 1.00 0.00 N ATOM 895 CA LEU A 77 3.133 4.877 -10.800 1.00 0.00 C ATOM 896 C LEU A 77 2.921 4.656 -12.291 1.00 0.00 C ATOM 897 O LEU A 77 2.883 5.605 -13.073 1.00 0.00 O ATOM 898 CB LEU A 77 4.593 4.622 -10.451 1.00 0.00 C ATOM 899 CG LEU A 77 5.179 5.510 -9.360 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.619 5.108 -9.081 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.097 6.976 -9.762 1.00 0.00 C ATOM 0 H LEU A 77 2.799 3.368 -9.403 1.00 0.00 H new ATOM 0 HA LEU A 77 2.868 5.908 -10.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.697 3.582 -10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.190 4.747 -11.354 1.00 0.00 H new ATOM 0 HG LEU A 77 4.597 5.377 -8.448 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.031 5.748 -8.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.650 4.069 -8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.210 5.219 -9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.520 7.595 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.657 7.132 -10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.054 7.252 -9.920 1.00 0.00 H new ATOM 913 N ALA A 78 2.790 3.393 -12.674 1.00 0.00 N ATOM 914 CA ALA A 78 2.585 3.027 -14.069 1.00 0.00 C ATOM 915 C ALA A 78 1.436 3.820 -14.685 1.00 0.00 C ATOM 916 O ALA A 78 1.407 4.054 -15.894 1.00 0.00 O ATOM 917 CB ALA A 78 2.338 1.536 -14.171 1.00 0.00 C ATOM 0 H ALA A 78 2.822 2.600 -12.033 1.00 0.00 H new ATOM 0 HA ALA A 78 3.484 3.274 -14.633 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.185 1.263 -15.215 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.200 0.997 -13.778 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.451 1.274 -13.594 1.00 0.00 H new ATOM 923 N LEU A 79 0.508 4.259 -13.841 1.00 0.00 N ATOM 924 CA LEU A 79 -0.622 5.057 -14.288 1.00 0.00 C ATOM 925 C LEU A 79 -0.240 6.529 -14.241 1.00 0.00 C ATOM 926 O LEU A 79 -0.777 7.358 -14.976 1.00 0.00 O ATOM 927 CB LEU A 79 -1.845 4.837 -13.386 1.00 0.00 C ATOM 928 CG LEU A 79 -1.881 3.533 -12.582 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.382 3.806 -11.172 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.764 2.505 -13.273 1.00 0.00 C ATOM 0 H LEU A 79 0.519 4.073 -12.838 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.876 4.755 -15.304 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.906 5.670 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.739 4.878 -14.009 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.871 3.129 -12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.405 2.874 -10.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.715 4.513 -10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.386 4.227 -11.218 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.778 1.585 -12.688 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.778 2.896 -13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.370 2.297 -14.268 1.00 0.00 H new ATOM 942 N GLY A 80 0.689 6.833 -13.344 1.00 0.00 N ATOM 943 CA GLY A 80 1.152 8.186 -13.154 1.00 0.00 C ATOM 944 C GLY A 80 0.727 8.727 -11.806 1.00 0.00 C ATOM 945 O GLY A 80 0.869 9.919 -11.530 1.00 0.00 O ATOM 0 H GLY A 80 1.136 6.147 -12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.239 8.216 -13.234 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.756 8.823 -13.945 1.00 0.00 H new ATOM 949 N ILE A 81 0.205 7.839 -10.960 1.00 0.00 N ATOM 950 CA ILE A 81 -0.239 8.219 -9.633 1.00 0.00 C ATOM 951 C ILE A 81 0.939 8.673 -8.798 1.00 0.00 C ATOM 952 O ILE A 81 1.737 7.868 -8.317 1.00 0.00 O ATOM 953 CB ILE A 81 -1.000 7.061 -8.939 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.409 6.891 -9.539 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.096 7.292 -7.434 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.652 7.660 -10.826 1.00 0.00 C ATOM 0 H ILE A 81 0.082 6.850 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.936 9.052 -9.732 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.435 6.145 -9.112 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.583 5.832 -9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.144 7.208 -8.799 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.635 6.464 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.093 7.353 -7.011 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.629 8.223 -7.242 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.670 7.478 -11.172 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.516 8.726 -10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.945 7.328 -11.587 1.00 0.00 H new ATOM 968 N LYS A 82 1.040 9.982 -8.654 1.00 0.00 N ATOM 969 CA LYS A 82 2.104 10.594 -7.914 1.00 0.00 C ATOM 970 C LYS A 82 1.702 10.820 -6.466 1.00 0.00 C ATOM 971 O LYS A 82 2.375 10.366 -5.544 1.00 0.00 O ATOM 972 CB LYS A 82 2.452 11.915 -8.573 1.00 0.00 C ATOM 973 CG LYS A 82 3.744 12.466 -8.068 1.00 0.00 C ATOM 974 CD LYS A 82 4.455 13.308 -9.116 1.00 0.00 C ATOM 975 CE LYS A 82 5.966 13.244 -8.954 1.00 0.00 C ATOM 976 NZ LYS A 82 6.515 14.497 -8.367 1.00 0.00 N ATOM 0 H LYS A 82 0.377 10.646 -9.054 1.00 0.00 H new ATOM 0 HA LYS A 82 2.971 9.933 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.513 11.777 -9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.654 12.634 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.557 13.073 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.393 11.645 -7.762 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.180 12.959 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.124 14.343 -9.038 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.227 12.400 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.428 13.065 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.547 14.413 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.288 15.300 -8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.094 14.655 -7.429 1.00 0.00 H new ATOM 990 N GLN A 83 0.596 11.524 -6.279 1.00 0.00 N ATOM 991 CA GLN A 83 0.087 11.816 -4.948 1.00 0.00 C ATOM 992 C GLN A 83 -1.209 11.059 -4.699 1.00 0.00 C ATOM 993 O GLN A 83 -2.056 10.955 -5.586 1.00 0.00 O ATOM 994 CB GLN A 83 -0.142 13.319 -4.781 1.00 0.00 C ATOM 995 CG GLN A 83 0.749 13.947 -3.725 1.00 0.00 C ATOM 996 CD GLN A 83 -0.030 14.741 -2.695 1.00 0.00 C ATOM 997 OE1 GLN A 83 -0.907 15.534 -3.038 1.00 0.00 O ATOM 998 NE2 GLN A 83 0.288 14.531 -1.423 1.00 0.00 N ATOM 0 H GLN A 83 0.031 11.906 -7.038 1.00 0.00 H new ATOM 0 HA GLN A 83 0.828 11.492 -4.217 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.033 13.815 -5.736 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.185 13.494 -4.517 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.315 13.163 -3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.473 14.602 -4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.022 13.864 -1.184 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.202 15.037 -0.685 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.360 10.524 -3.494 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.559 9.773 -3.154 1.00 0.00 C ATOM 1009 C VAL A 84 -3.216 10.302 -1.886 1.00 0.00 C ATOM 1010 O VAL A 84 -2.602 11.024 -1.101 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.274 8.265 -2.962 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.374 7.438 -3.592 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.930 7.866 -3.543 1.00 0.00 C ATOM 0 H VAL A 84 -0.674 10.596 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.234 9.903 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.244 8.073 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.160 6.379 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.327 7.682 -3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.428 7.657 -4.658 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.768 6.799 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.917 8.083 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.138 8.429 -3.049 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.467 9.910 -1.693 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.234 10.306 -0.522 1.00 0.00 C ATOM 1025 C ALA A 85 -5.385 9.118 0.416 1.00 0.00 C ATOM 1026 O ALA A 85 -6.152 8.197 0.142 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.601 10.833 -0.938 1.00 0.00 C ATOM 0 H ALA A 85 -4.977 9.310 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.704 11.104 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.163 11.125 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.475 11.698 -1.589 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.145 10.053 -1.472 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.635 9.127 1.510 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.683 8.026 2.460 1.00 0.00 C ATOM 1035 C PHE A 86 -5.869 8.148 3.407 1.00 0.00 C ATOM 1036 O PHE A 86 -5.933 9.056 4.236 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.380 7.945 3.253 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.831 6.551 3.336 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.142 5.999 2.267 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -3.011 5.788 4.479 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.643 4.712 2.339 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.515 4.501 4.555 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.830 3.963 3.485 1.00 0.00 C ATOM 0 H PHE A 86 -3.992 9.878 1.759 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.809 7.107 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.638 8.595 2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.550 8.323 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.994 6.580 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.545 6.205 5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.107 4.292 1.500 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.663 3.917 5.451 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.440 2.957 3.543 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.801 7.211 3.277 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.991 7.179 4.116 1.00 0.00 C ATOM 1055 C ASP A 87 -8.279 5.748 4.556 1.00 0.00 C ATOM 1056 O ASP A 87 -9.421 5.289 4.516 1.00 0.00 O ATOM 1057 CB ASP A 87 -9.193 7.753 3.362 1.00 0.00 C ATOM 1058 CG ASP A 87 -10.052 8.644 4.237 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.488 9.358 5.092 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.290 8.628 4.066 1.00 0.00 O ATOM 0 H ASP A 87 -6.753 6.457 2.592 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.813 7.792 4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.841 8.323 2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.800 6.935 2.975 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.223 5.046 4.965 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.328 3.656 5.409 1.00 0.00 C ATOM 1067 C ARG A 88 -8.574 3.425 6.262 1.00 0.00 C ATOM 1068 O ARG A 88 -9.156 2.340 6.246 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.080 3.261 6.201 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.656 4.298 7.229 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.307 3.956 7.842 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.115 4.596 9.142 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.742 5.864 9.297 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.526 6.634 8.237 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.585 6.365 10.515 1.00 0.00 N ATOM 0 H ARG A 88 -6.275 5.422 4.998 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.411 3.033 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.267 2.314 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.257 3.093 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.604 5.279 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.408 4.361 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.224 2.875 7.955 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.512 4.267 7.164 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.276 4.038 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.646 6.254 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.240 7.605 8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.750 5.778 11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.299 7.337 10.634 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.977 4.449 7.008 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.148 4.330 7.856 1.00 0.00 C ATOM 1091 C GLY A 89 -9.785 4.032 9.300 1.00 0.00 C ATOM 1092 O GLY A 89 -8.955 4.730 9.883 1.00 0.00 O ATOM 0 H GLY A 89 -8.514 5.357 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.722 5.256 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.791 3.537 7.474 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.385 2.994 9.913 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.099 2.623 11.301 1.00 0.00 C ATOM 1098 C PRO A 90 -8.746 1.928 11.444 1.00 0.00 C ATOM 1099 O PRO A 90 -8.653 0.838 12.009 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.238 1.655 11.670 1.00 0.00 C ATOM 1101 CG PRO A 90 -12.177 1.653 10.505 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.382 2.101 9.314 1.00 0.00 C ATOM 0 HA PRO A 90 -10.047 3.498 11.948 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.852 0.654 11.860 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.745 1.979 12.579 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -12.591 0.658 10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -13.018 2.323 10.684 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.916 1.261 8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.003 2.619 8.583 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.699 2.563 10.926 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.355 2.004 10.994 1.00 0.00 C ATOM 1112 C TYR A 91 -5.433 2.905 11.804 1.00 0.00 C ATOM 1113 O TYR A 91 -5.515 4.130 11.722 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.786 1.818 9.586 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.168 0.504 8.942 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.488 0.071 8.932 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.208 -0.301 8.343 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.841 -1.128 8.344 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.553 -1.501 7.752 1.00 0.00 C ATOM 1120 CZ TYR A 91 -6.870 -1.910 7.755 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.216 -3.105 7.169 1.00 0.00 O ATOM 0 H TYR A 91 -7.757 3.466 10.454 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.418 1.034 11.488 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.131 2.636 8.954 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.699 1.887 9.631 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.251 0.682 9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.176 0.016 8.339 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.872 -1.451 8.346 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.795 -2.116 7.290 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.067 -3.002 6.693 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.550 2.290 12.580 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.605 3.035 13.398 1.00 0.00 C ATOM 1133 C LYS A 92 -2.179 2.781 12.929 1.00 0.00 C ATOM 1134 O LYS A 92 -1.868 1.705 12.417 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.749 2.645 14.870 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.076 3.619 15.824 1.00 0.00 C ATOM 1137 CD LYS A 92 -1.681 3.152 16.205 1.00 0.00 C ATOM 1138 CE LYS A 92 -0.927 4.221 16.980 1.00 0.00 C ATOM 1139 NZ LYS A 92 -0.904 5.521 16.254 1.00 0.00 N ATOM 0 H LYS A 92 -4.469 1.276 12.659 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.825 4.097 13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.808 2.579 15.118 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.324 1.652 15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.017 4.603 15.359 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.683 3.727 16.723 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.751 2.246 16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.124 2.893 15.304 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.393 4.358 17.956 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.095 3.887 17.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.068 6.067 16.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.863 5.346 15.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.765 6.059 16.479 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.314 3.775 13.107 1.00 0.00 N ATOM 1154 CA TYR A 93 0.083 3.657 12.702 1.00 0.00 C ATOM 1155 C TYR A 93 0.669 2.330 13.180 1.00 0.00 C ATOM 1156 O TYR A 93 0.939 2.151 14.368 1.00 0.00 O ATOM 1157 CB TYR A 93 0.891 4.829 13.269 1.00 0.00 C ATOM 1158 CG TYR A 93 2.072 5.248 12.418 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.029 5.164 11.029 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.231 5.737 13.008 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.107 5.554 10.257 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.313 6.128 12.241 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.246 6.035 10.867 1.00 0.00 C ATOM 1164 OH TYR A 93 5.320 6.425 10.101 1.00 0.00 O ATOM 0 H TYR A 93 -1.556 4.671 13.529 1.00 0.00 H new ATOM 0 HA TYR A 93 0.135 3.683 11.614 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.227 5.685 13.394 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.252 4.559 14.261 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.139 4.788 10.547 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.288 5.813 14.084 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.057 5.482 9.181 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.207 6.505 12.716 1.00 0.00 H new ATOM 0 HH TYR A 93 6.041 6.740 10.685 1.00 0.00 H new ATOM 1174 N HIS A 94 0.853 1.397 12.248 1.00 0.00 N ATOM 1175 CA HIS A 94 1.394 0.082 12.579 1.00 0.00 C ATOM 1176 C HIS A 94 2.640 -0.224 11.755 1.00 0.00 C ATOM 1177 O HIS A 94 2.910 0.432 10.750 1.00 0.00 O ATOM 1178 CB HIS A 94 0.337 -0.999 12.346 1.00 0.00 C ATOM 1179 CG HIS A 94 0.547 -2.230 13.171 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.540 -3.502 12.641 1.00 0.00 N ATOM 1181 CD2 HIS A 94 0.772 -2.379 14.499 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.748 -4.381 13.605 1.00 0.00 C ATOM 1183 NE2 HIS A 94 0.893 -3.725 14.741 1.00 0.00 N ATOM 0 H HIS A 94 0.636 1.527 11.260 1.00 0.00 H new ATOM 0 HA HIS A 94 1.674 0.090 13.632 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.647 -0.587 12.568 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.337 -1.274 11.291 1.00 0.00 H new ATOM 0 HD2 HIS A 94 0.843 -1.587 15.230 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.792 -5.453 13.484 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.067 -4.150 15.652 1.00 0.00 H new ATOM 1192 N GLY A 95 3.400 -1.226 12.193 1.00 0.00 N ATOM 1193 CA GLY A 95 4.616 -1.607 11.493 1.00 0.00 C ATOM 1194 C GLY A 95 4.419 -1.731 9.993 1.00 0.00 C ATOM 1195 O GLY A 95 5.357 -1.532 9.220 1.00 0.00 O ATOM 0 H GLY A 95 3.194 -1.782 13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.391 -0.867 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.974 -2.558 11.887 1.00 0.00 H new ATOM 1199 N ARG A 96 3.198 -2.055 9.581 1.00 0.00 N ATOM 1200 CA ARG A 96 2.886 -2.199 8.164 1.00 0.00 C ATOM 1201 C ARG A 96 2.937 -0.843 7.468 1.00 0.00 C ATOM 1202 O ARG A 96 3.844 -0.576 6.680 1.00 0.00 O ATOM 1203 CB ARG A 96 1.508 -2.838 7.986 1.00 0.00 C ATOM 1204 CG ARG A 96 1.294 -4.070 8.849 1.00 0.00 C ATOM 1205 CD ARG A 96 1.762 -5.333 8.144 1.00 0.00 C ATOM 1206 NE ARG A 96 1.845 -6.470 9.058 1.00 0.00 N ATOM 1207 CZ ARG A 96 1.867 -7.740 8.661 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.823 -8.040 7.369 1.00 0.00 N ATOM 1209 NH2 ARG A 96 1.933 -8.713 9.558 1.00 0.00 N ATOM 0 H ARG A 96 2.410 -2.222 10.207 1.00 0.00 H new ATOM 0 HA ARG A 96 3.632 -2.850 7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.741 -2.101 8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.375 -3.110 6.939 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.834 -3.955 9.789 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.237 -4.162 9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.076 -5.570 7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.739 -5.157 7.695 1.00 0.00 H new ATOM 0 HE ARG A 96 1.889 -6.279 10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.772 -7.295 6.674 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.840 -9.015 7.071 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.967 -8.488 10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.950 -9.687 9.254 1.00 0.00 H new ATOM 1223 N VAL A 97 1.960 0.011 7.774 1.00 0.00 N ATOM 1224 CA VAL A 97 1.885 1.351 7.197 1.00 0.00 C ATOM 1225 C VAL A 97 3.259 1.985 7.088 1.00 0.00 C ATOM 1226 O VAL A 97 3.554 2.676 6.126 1.00 0.00 O ATOM 1227 CB VAL A 97 1.001 2.278 8.046 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.794 3.613 7.350 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.322 1.609 8.350 1.00 0.00 C ATOM 0 H VAL A 97 1.204 -0.205 8.424 1.00 0.00 H new ATOM 0 HA VAL A 97 1.452 1.233 6.204 1.00 0.00 H new ATOM 0 HB VAL A 97 1.509 2.473 8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.165 4.253 7.969 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.759 4.095 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.309 3.450 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.938 2.277 8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.838 1.382 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.145 0.685 8.900 1.00 0.00 H new ATOM 1239 N LYS A 98 4.094 1.755 8.085 1.00 0.00 N ATOM 1240 CA LYS A 98 5.429 2.320 8.084 1.00 0.00 C ATOM 1241 C LYS A 98 6.225 1.836 6.878 1.00 0.00 C ATOM 1242 O LYS A 98 6.404 2.566 5.903 1.00 0.00 O ATOM 1243 CB LYS A 98 6.158 1.967 9.377 1.00 0.00 C ATOM 1244 CG LYS A 98 6.451 3.184 10.233 1.00 0.00 C ATOM 1245 CD LYS A 98 5.948 3.013 11.655 1.00 0.00 C ATOM 1246 CE LYS A 98 4.447 2.782 11.699 1.00 0.00 C ATOM 1247 NZ LYS A 98 4.058 1.974 12.885 1.00 0.00 N ATOM 0 H LYS A 98 3.872 1.184 8.901 1.00 0.00 H new ATOM 0 HA LYS A 98 5.338 3.404 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.555 1.262 9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.094 1.463 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.525 3.367 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.985 4.062 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.459 2.171 12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.196 3.900 12.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.930 3.741 11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.129 2.273 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.023 1.976 12.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.393 0.997 12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.486 2.384 13.740 1.00 0.00 H new ATOM 1261 N ALA A 99 6.705 0.601 6.959 1.00 0.00 N ATOM 1262 CA ALA A 99 7.490 0.010 5.886 1.00 0.00 C ATOM 1263 C ALA A 99 6.733 0.013 4.562 1.00 0.00 C ATOM 1264 O ALA A 99 7.325 0.208 3.503 1.00 0.00 O ATOM 1265 CB ALA A 99 7.896 -1.409 6.257 1.00 0.00 C ATOM 0 H ALA A 99 6.562 -0.012 7.762 1.00 0.00 H new ATOM 0 HA ALA A 99 8.384 0.619 5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.483 -1.843 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.493 -1.390 7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.003 -2.012 6.421 1.00 0.00 H new ATOM 1271 N LEU A 100 5.423 -0.203 4.622 1.00 0.00 N ATOM 1272 CA LEU A 100 4.602 -0.232 3.430 1.00 0.00 C ATOM 1273 C LEU A 100 4.503 1.142 2.801 1.00 0.00 C ATOM 1274 O LEU A 100 4.677 1.305 1.594 1.00 0.00 O ATOM 1275 CB LEU A 100 3.200 -0.733 3.777 1.00 0.00 C ATOM 1276 CG LEU A 100 2.152 -0.475 2.700 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.176 -1.634 2.614 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.411 0.832 2.958 1.00 0.00 C ATOM 0 H LEU A 100 4.911 -0.360 5.490 1.00 0.00 H new ATOM 0 HA LEU A 100 5.070 -0.908 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.248 -1.805 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.876 -0.257 4.703 1.00 0.00 H new ATOM 0 HG LEU A 100 2.668 -0.387 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.436 -1.430 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.717 -2.548 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.673 -1.758 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.670 0.991 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.912 0.782 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.121 1.659 2.958 1.00 0.00 H new ATOM 1290 N ALA A 101 4.194 2.122 3.628 1.00 0.00 N ATOM 1291 CA ALA A 101 4.038 3.485 3.153 1.00 0.00 C ATOM 1292 C ALA A 101 5.318 3.993 2.514 1.00 0.00 C ATOM 1293 O ALA A 101 5.265 4.775 1.565 1.00 0.00 O ATOM 1294 CB ALA A 101 3.566 4.393 4.269 1.00 0.00 C ATOM 0 H ALA A 101 4.046 2.001 4.630 1.00 0.00 H new ATOM 0 HA ALA A 101 3.270 3.490 2.380 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.456 5.409 3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.605 4.040 4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.296 4.385 5.078 1.00 0.00 H new ATOM 1300 N GLU A 102 6.472 3.519 2.987 1.00 0.00 N ATOM 1301 CA GLU A 102 7.722 3.931 2.366 1.00 0.00 C ATOM 1302 C GLU A 102 7.770 3.312 0.986 1.00 0.00 C ATOM 1303 O GLU A 102 8.032 3.991 0.013 1.00 0.00 O ATOM 1304 CB GLU A 102 8.980 3.546 3.163 1.00 0.00 C ATOM 1305 CG GLU A 102 8.717 2.918 4.526 1.00 0.00 C ATOM 1306 CD GLU A 102 9.977 2.362 5.161 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.954 2.114 4.423 1.00 0.00 O ATOM 1308 OE2 GLU A 102 9.987 2.174 6.396 1.00 0.00 O ATOM 0 H GLU A 102 6.563 2.872 3.770 1.00 0.00 H new ATOM 0 HA GLU A 102 7.733 5.020 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.569 2.849 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.589 4.439 3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.279 3.665 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.984 2.118 4.419 1.00 0.00 H new ATOM 1315 N GLY A 103 7.450 2.022 0.900 1.00 0.00 N ATOM 1316 CA GLY A 103 7.411 1.359 -0.393 1.00 0.00 C ATOM 1317 C GLY A 103 6.632 2.176 -1.388 1.00 0.00 C ATOM 1318 O GLY A 103 7.123 2.559 -2.448 1.00 0.00 O ATOM 0 H GLY A 103 7.219 1.428 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.426 1.204 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.956 0.374 -0.288 1.00 0.00 H new ATOM 1322 N ALA A 104 5.383 2.414 -1.016 1.00 0.00 N ATOM 1323 CA ALA A 104 4.451 3.166 -1.830 1.00 0.00 C ATOM 1324 C ALA A 104 4.949 4.585 -2.078 1.00 0.00 C ATOM 1325 O ALA A 104 4.785 5.127 -3.168 1.00 0.00 O ATOM 1326 CB ALA A 104 3.087 3.176 -1.167 1.00 0.00 C ATOM 0 H ALA A 104 4.989 2.087 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 104 4.368 2.680 -2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.388 3.743 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.728 2.153 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.164 3.640 -0.184 1.00 0.00 H new ATOM 1332 N ARG A 105 5.570 5.187 -1.068 1.00 0.00 N ATOM 1333 CA ARG A 105 6.094 6.544 -1.201 1.00 0.00 C ATOM 1334 C ARG A 105 7.503 6.529 -1.786 1.00 0.00 C ATOM 1335 O ARG A 105 7.912 7.463 -2.476 1.00 0.00 O ATOM 1336 CB ARG A 105 6.078 7.264 0.152 1.00 0.00 C ATOM 1337 CG ARG A 105 6.721 8.643 0.127 1.00 0.00 C ATOM 1338 CD ARG A 105 5.689 9.745 0.315 1.00 0.00 C ATOM 1339 NE ARG A 105 5.675 10.257 1.684 1.00 0.00 N ATOM 1340 CZ ARG A 105 6.434 11.265 2.111 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.281 11.868 1.284 1.00 0.00 N ATOM 1342 NH2 ARG A 105 6.348 11.670 3.370 1.00 0.00 N ATOM 0 H ARG A 105 5.722 4.761 -0.154 1.00 0.00 H new ATOM 0 HA ARG A 105 5.448 7.090 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.046 7.362 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.595 6.647 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.472 8.709 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.239 8.787 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.902 10.562 -0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.700 9.362 0.061 1.00 0.00 H new ATOM 0 HE ARG A 105 5.045 9.815 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.354 11.560 0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.859 12.639 1.619 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.701 11.210 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.929 12.442 3.698 1.00 0.00 H new ATOM 1356 N GLU A 106 8.231 5.454 -1.522 1.00 0.00 N ATOM 1357 CA GLU A 106 9.581 5.296 -2.031 1.00 0.00 C ATOM 1358 C GLU A 106 9.498 4.975 -3.517 1.00 0.00 C ATOM 1359 O GLU A 106 10.304 5.445 -4.320 1.00 0.00 O ATOM 1360 CB GLU A 106 10.314 4.177 -1.266 1.00 0.00 C ATOM 1361 CG GLU A 106 10.185 2.795 -1.891 1.00 0.00 C ATOM 1362 CD GLU A 106 11.099 1.776 -1.241 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.864 2.159 -0.332 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.051 0.594 -1.642 1.00 0.00 O ATOM 0 H GLU A 106 7.904 4.673 -0.953 1.00 0.00 H new ATOM 0 HA GLU A 106 10.147 6.217 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.371 4.434 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.929 4.138 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.152 2.457 -1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.415 2.858 -2.955 1.00 0.00 H new ATOM 1371 N GLY A 107 8.487 4.180 -3.870 1.00 0.00 N ATOM 1372 CA GLY A 107 8.276 3.815 -5.253 1.00 0.00 C ATOM 1373 C GLY A 107 7.889 5.028 -6.087 1.00 0.00 C ATOM 1374 O GLY A 107 8.463 5.255 -7.151 1.00 0.00 O ATOM 0 H GLY A 107 7.812 3.784 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.184 3.367 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.492 3.060 -5.318 1.00 0.00 H new ATOM 1378 N GLY A 108 6.935 5.832 -5.592 1.00 0.00 N ATOM 1379 CA GLY A 108 6.533 7.030 -6.323 1.00 0.00 C ATOM 1380 C GLY A 108 5.335 7.769 -5.729 1.00 0.00 C ATOM 1381 O GLY A 108 5.179 8.969 -5.951 1.00 0.00 O ATOM 0 H GLY A 108 6.443 5.676 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.380 7.715 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.297 6.750 -7.350 1.00 0.00 H new ATOM 1385 N LEU A 109 4.470 7.057 -5.012 1.00 0.00 N ATOM 1386 CA LEU A 109 3.268 7.655 -4.435 1.00 0.00 C ATOM 1387 C LEU A 109 3.551 8.588 -3.265 1.00 0.00 C ATOM 1388 O LEU A 109 4.448 8.359 -2.462 1.00 0.00 O ATOM 1389 CB LEU A 109 2.321 6.553 -3.979 1.00 0.00 C ATOM 1390 CG LEU A 109 1.649 5.802 -5.114 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.689 5.212 -6.046 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.720 4.728 -4.573 1.00 0.00 C ATOM 0 H LEU A 109 4.579 6.062 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 109 2.817 8.262 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.876 5.843 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.552 6.990 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 109 1.044 6.505 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.191 4.677 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.300 6.013 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.325 4.522 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.249 4.202 -5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.292 4.020 -3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.049 5.190 -3.954 1.00 0.00 H new ATOM 1404 N GLU A 110 2.746 9.638 -3.177 1.00 0.00 N ATOM 1405 CA GLU A 110 2.861 10.615 -2.103 1.00 0.00 C ATOM 1406 C GLU A 110 1.507 10.826 -1.427 1.00 0.00 C ATOM 1407 O GLU A 110 0.677 11.599 -1.903 1.00 0.00 O ATOM 1408 CB GLU A 110 3.409 11.937 -2.639 1.00 0.00 C ATOM 1409 CG GLU A 110 4.927 12.016 -2.590 1.00 0.00 C ATOM 1410 CD GLU A 110 5.551 12.143 -3.966 1.00 0.00 C ATOM 1411 OE1 GLU A 110 4.950 12.813 -4.831 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.641 11.571 -4.178 1.00 0.00 O ATOM 0 H GLU A 110 2.000 9.836 -3.843 1.00 0.00 H new ATOM 0 HA GLU A 110 3.560 10.232 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.077 12.070 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.989 12.759 -2.060 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.223 12.870 -1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.317 11.124 -2.099 1.00 0.00 H new ATOM 1419 N PHE A 111 1.285 10.120 -0.327 1.00 0.00 N ATOM 1420 CA PHE A 111 0.024 10.213 0.407 1.00 0.00 C ATOM 1421 C PHE A 111 0.255 10.709 1.831 1.00 0.00 C ATOM 1422 O PHE A 111 -0.446 11.655 2.248 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.664 8.844 0.432 1.00 0.00 C ATOM 1424 CG PHE A 111 0.309 7.705 0.477 1.00 0.00 C ATOM 1425 CD1 PHE A 111 1.008 7.339 -0.659 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.542 7.017 1.655 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.920 6.306 -0.622 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.456 5.985 1.700 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.147 5.629 0.559 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.134 10.147 2.517 1.00 0.00 O ATOM 0 H PHE A 111 1.962 9.474 0.080 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.618 10.931 -0.102 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.321 8.789 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.294 8.743 -0.452 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.837 7.868 -1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.002 7.291 2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.457 6.027 -1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.631 5.457 2.626 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.864 4.822 0.591 1.00 0.00 H new TER 1440 PHE A 111