USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 47 ASN : amide:sc= -3.61 X(o=-6.3,f=-6.5) USER MOD Set 1.2: A 50 ASN : amide:sc= -2.69 K(o=-6.3,f=-14!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.436 K(o=0.42,f=-0.52) USER MOD Set 2.2: A 51 THR OG1 : rot -61:sc= 0.851 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 153:sc= -0.116 (180deg=-0.603) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= 0.591 (180deg=0.0497) USER MOD Single : A 7 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 8 THR OG1 : rot 153:sc= -0.277 USER MOD Single : A -3 GLY N :NH3+ -118:sc= 0.0821 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= -0.0041 (180deg=-0.105) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 153:sc= -1.1 (180deg=-2.73!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 54 GLN : amide:sc= -4.13 K(o=-4.1,f=-2) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= 0.21 K(o=0.21,f=-1.3) USER MOD Single : A 65 CYS SG : rot -56:sc= -0.744 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 2.894 3.028 4.996 1.00 0.00 N ATOM 2 CA GLY A -3 2.866 4.378 5.529 1.00 0.00 C ATOM 3 C GLY A -3 3.661 5.352 4.682 1.00 0.00 C ATOM 4 O GLY A -3 4.340 4.968 3.729 1.00 0.00 O ATOM 0 H1 GLY A -3 1.928 2.733 4.748 1.00 0.00 H new ATOM 0 H2 GLY A -3 3.493 3.003 4.146 1.00 0.00 H new ATOM 0 H3 GLY A -3 3.281 2.380 5.712 1.00 0.00 H new ATOM 0 HA2 GLY A -3 1.832 4.718 5.595 1.00 0.00 H new ATOM 0 HA3 GLY A -3 3.265 4.373 6.543 1.00 0.00 H new ATOM 8 N PRO A -2 3.581 6.645 5.028 1.00 0.00 N ATOM 9 CA PRO A -2 4.292 7.703 4.304 1.00 0.00 C ATOM 10 C PRO A -2 5.800 7.639 4.517 1.00 0.00 C ATOM 11 O PRO A -2 6.301 7.970 5.591 1.00 0.00 O ATOM 12 CB PRO A -2 3.722 8.990 4.907 1.00 0.00 C ATOM 13 CG PRO A -2 3.260 8.598 6.268 1.00 0.00 C ATOM 14 CD PRO A -2 2.791 7.174 6.152 1.00 0.00 C ATOM 0 HA PRO A -2 4.153 7.622 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A -2 4.479 9.773 4.956 1.00 0.00 H new ATOM 0 HB3 PRO A -2 2.900 9.378 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A -2 4.068 8.685 6.994 1.00 0.00 H new ATOM 0 HG3 PRO A -2 2.454 9.248 6.609 1.00 0.00 H new ATOM 0 HD2 PRO A -2 2.974 6.615 7.070 1.00 0.00 H new ATOM 0 HD3 PRO A -2 1.721 7.118 5.952 1.00 0.00 H new ATOM 22 N GLY A -1 6.521 7.210 3.485 1.00 0.00 N ATOM 23 CA GLY A -1 7.966 7.110 3.580 1.00 0.00 C ATOM 24 C GLY A -1 8.592 6.549 2.318 1.00 0.00 C ATOM 25 O GLY A -1 8.147 5.525 1.799 1.00 0.00 O ATOM 0 H GLY A -1 6.130 6.930 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.383 8.097 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.228 6.474 4.426 1.00 0.00 H new ATOM 29 N SER A 0 9.627 7.221 1.824 1.00 0.00 N ATOM 30 CA SER A 0 10.312 6.786 0.612 1.00 0.00 C ATOM 31 C SER A 0 11.823 6.942 0.757 1.00 0.00 C ATOM 32 O SER A 0 12.305 7.570 1.699 1.00 0.00 O ATOM 33 CB SER A 0 9.818 7.588 -0.594 1.00 0.00 C ATOM 34 OG SER A 0 10.107 8.967 -0.441 1.00 0.00 O ATOM 0 H SER A 0 10.009 8.068 2.244 1.00 0.00 H new ATOM 0 HA SER A 0 10.086 5.731 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.289 7.213 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.743 7.449 -0.712 1.00 0.00 H new ATOM 0 HG SER A 0 9.783 9.458 -1.225 1.00 0.00 H new ATOM 40 N MET A 1 12.563 6.365 -0.184 1.00 0.00 N ATOM 41 CA MET A 1 14.019 6.439 -0.162 1.00 0.00 C ATOM 42 C MET A 1 14.565 6.822 -1.534 1.00 0.00 C ATOM 43 O MET A 1 14.165 6.257 -2.552 1.00 0.00 O ATOM 44 CB MET A 1 14.614 5.101 0.281 1.00 0.00 C ATOM 45 CG MET A 1 14.260 3.945 -0.641 1.00 0.00 C ATOM 46 SD MET A 1 14.127 2.374 0.236 1.00 0.00 S ATOM 47 CE MET A 1 12.661 2.661 1.224 1.00 0.00 C ATOM 0 H MET A 1 12.179 5.842 -0.971 1.00 0.00 H new ATOM 0 HA MET A 1 14.307 7.210 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.699 5.194 0.334 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.265 4.873 1.288 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.315 4.159 -1.140 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.019 3.860 -1.419 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.173 1.710 1.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.942 3.142 2.161 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.974 3.306 0.677 1.00 0.00 H new ATOM 57 N LYS A 2 15.479 7.786 -1.555 1.00 0.00 N ATOM 58 CA LYS A 2 16.080 8.244 -2.802 1.00 0.00 C ATOM 59 C LYS A 2 17.595 8.064 -2.774 1.00 0.00 C ATOM 60 O LYS A 2 18.157 7.619 -1.774 1.00 0.00 O ATOM 61 CB LYS A 2 15.735 9.714 -3.048 1.00 0.00 C ATOM 62 CG LYS A 2 14.336 9.926 -3.600 1.00 0.00 C ATOM 63 CD LYS A 2 14.170 11.321 -4.179 1.00 0.00 C ATOM 64 CE LYS A 2 14.220 11.303 -5.699 1.00 0.00 C ATOM 65 NZ LYS A 2 13.362 12.364 -6.295 1.00 0.00 N ATOM 0 H LYS A 2 15.820 8.266 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 2 15.675 7.641 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.834 10.263 -2.112 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.459 10.137 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.132 9.184 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.604 9.771 -2.808 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.220 11.742 -3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.956 11.971 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.249 11.440 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.896 10.328 -6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.928 12.009 -7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.615 12.626 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.943 13.200 -6.511 1.00 0.00 H new ATOM 79 N GLU A 3 18.248 8.414 -3.877 1.00 0.00 N ATOM 80 CA GLU A 3 19.698 8.292 -3.977 1.00 0.00 C ATOM 81 C GLU A 3 20.356 9.666 -4.060 1.00 0.00 C ATOM 82 O GLU A 3 19.789 10.604 -4.621 1.00 0.00 O ATOM 83 CB GLU A 3 20.078 7.457 -5.202 1.00 0.00 C ATOM 84 CG GLU A 3 19.830 8.167 -6.523 1.00 0.00 C ATOM 85 CD GLU A 3 19.728 7.206 -7.691 1.00 0.00 C ATOM 86 OE1 GLU A 3 20.492 6.218 -7.715 1.00 0.00 O ATOM 87 OE2 GLU A 3 18.884 7.442 -8.581 1.00 0.00 O ATOM 0 H GLU A 3 17.797 8.784 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 3 20.058 7.791 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.132 7.189 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.511 6.526 -5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.909 8.746 -6.453 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.638 8.874 -6.709 1.00 0.00 H new ATOM 94 N ILE A 4 21.554 9.777 -3.496 1.00 0.00 N ATOM 95 CA ILE A 4 22.290 11.035 -3.507 1.00 0.00 C ATOM 96 C ILE A 4 23.524 10.943 -4.398 1.00 0.00 C ATOM 97 O ILE A 4 24.240 9.942 -4.383 1.00 0.00 O ATOM 98 CB ILE A 4 22.725 11.445 -2.087 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.200 12.899 -2.076 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.822 10.519 -1.582 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.661 13.060 -2.434 1.00 0.00 C ATOM 0 H ILE A 4 22.036 9.011 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 4 21.614 11.792 -3.904 1.00 0.00 H new ATOM 0 HB ILE A 4 21.867 11.358 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.597 13.475 -2.778 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.028 13.321 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.119 10.821 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.451 9.494 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.683 10.578 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 4 24.928 14.116 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.274 12.512 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.835 12.668 -3.436 1.00 0.00 H new ATOM 113 N ILE A 5 23.767 11.995 -5.173 1.00 0.00 N ATOM 114 CA ILE A 5 24.916 12.035 -6.068 1.00 0.00 C ATOM 115 C ILE A 5 25.684 13.344 -5.920 1.00 0.00 C ATOM 116 O ILE A 5 25.112 14.428 -6.031 1.00 0.00 O ATOM 117 CB ILE A 5 24.490 11.867 -7.539 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.382 10.817 -7.655 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.686 11.480 -8.396 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.925 10.576 -9.076 1.00 0.00 C ATOM 0 H ILE A 5 23.183 12.831 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 5 25.563 11.204 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 5 24.102 12.819 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.737 9.877 -7.232 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.528 11.134 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.369 11.365 -9.432 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.446 12.259 -8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.101 10.538 -8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.139 9.821 -9.082 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.539 11.505 -9.497 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.767 10.229 -9.675 1.00 0.00 H new ATOM 132 N LEU A 6 26.984 13.235 -5.669 1.00 0.00 N ATOM 133 CA LEU A 6 27.833 14.410 -5.507 1.00 0.00 C ATOM 134 C LEU A 6 28.728 14.607 -6.726 1.00 0.00 C ATOM 135 O LEU A 6 29.434 13.690 -7.146 1.00 0.00 O ATOM 136 CB LEU A 6 28.690 14.274 -4.247 1.00 0.00 C ATOM 137 CG LEU A 6 29.548 13.013 -4.152 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.990 13.317 -4.529 1.00 0.00 C ATOM 139 CD2 LEU A 6 29.475 12.422 -2.751 1.00 0.00 C ATOM 0 H LEU A 6 27.473 12.345 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 6 27.188 15.283 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.347 15.142 -4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.032 14.308 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 6 29.157 12.278 -4.856 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.585 12.407 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.027 13.693 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.392 14.070 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.092 11.525 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 6 29.839 13.153 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.442 12.165 -2.518 1.00 0.00 H new ATOM 151 N TYR A 7 28.697 15.811 -7.288 1.00 0.00 N ATOM 152 CA TYR A 7 29.505 16.129 -8.459 1.00 0.00 C ATOM 153 C TYR A 7 30.706 16.987 -8.075 1.00 0.00 C ATOM 154 O TYR A 7 30.555 18.128 -7.636 1.00 0.00 O ATOM 155 CB TYR A 7 28.659 16.855 -9.507 1.00 0.00 C ATOM 156 CG TYR A 7 27.593 15.985 -10.133 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.865 15.222 -11.261 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.313 15.927 -9.595 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.893 14.427 -11.837 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.335 15.133 -10.163 1.00 0.00 C ATOM 161 CZ TYR A 7 25.630 14.385 -11.284 1.00 0.00 C ATOM 162 OH TYR A 7 24.659 13.593 -11.854 1.00 0.00 O ATOM 0 H TYR A 7 28.121 16.582 -6.951 1.00 0.00 H new ATOM 0 HA TYR A 7 29.870 15.193 -8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.184 17.720 -9.043 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.314 17.234 -10.292 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.853 15.251 -11.695 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.079 16.512 -8.718 1.00 0.00 H new ATOM 0 HE1 TYR A 7 27.121 13.842 -12.716 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.345 15.098 -9.732 1.00 0.00 H new ATOM 0 HH TYR A 7 23.827 13.676 -11.343 1.00 0.00 H new ATOM 172 N THR A 8 31.902 16.430 -8.243 1.00 0.00 N ATOM 173 CA THR A 8 33.130 17.142 -7.914 1.00 0.00 C ATOM 174 C THR A 8 34.358 16.300 -8.242 1.00 0.00 C ATOM 175 O THR A 8 34.240 15.185 -8.750 1.00 0.00 O ATOM 176 CB THR A 8 33.171 17.532 -6.425 1.00 0.00 C ATOM 177 OG1 THR A 8 32.158 16.823 -5.704 1.00 0.00 O ATOM 178 CG2 THR A 8 32.969 19.030 -6.252 1.00 0.00 C ATOM 0 H THR A 8 32.045 15.487 -8.605 1.00 0.00 H new ATOM 0 HA THR A 8 33.142 18.048 -8.519 1.00 0.00 H new ATOM 0 HB THR A 8 34.151 17.265 -6.030 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.437 16.712 -4.771 1.00 0.00 H new ATOM 0 HG21 THR A 8 33.002 19.282 -5.192 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.759 19.567 -6.777 1.00 0.00 H new ATOM 0 HG23 THR A 8 32.001 19.316 -6.663 1.00 0.00 H new ATOM 186 N ARG A 9 35.536 16.840 -7.946 1.00 0.00 N ATOM 187 CA ARG A 9 36.786 16.138 -8.210 1.00 0.00 C ATOM 188 C ARG A 9 37.143 15.210 -7.052 1.00 0.00 C ATOM 189 O ARG A 9 36.685 15.382 -5.922 1.00 0.00 O ATOM 190 CB ARG A 9 37.919 17.139 -8.442 1.00 0.00 C ATOM 191 CG ARG A 9 37.986 18.237 -7.393 1.00 0.00 C ATOM 192 CD ARG A 9 37.465 19.559 -7.936 1.00 0.00 C ATOM 193 NE ARG A 9 38.425 20.199 -8.831 1.00 0.00 N ATOM 194 CZ ARG A 9 38.369 21.482 -9.173 1.00 0.00 C ATOM 195 NH1 ARG A 9 37.405 22.257 -8.695 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.279 21.991 -9.993 1.00 0.00 N ATOM 0 H ARG A 9 35.651 17.761 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 9 36.652 15.536 -9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.868 16.603 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.795 17.594 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.401 17.945 -6.521 1.00 0.00 H new ATOM 0 HG3 ARG A 9 39.016 18.360 -7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 9 36.530 19.389 -8.469 1.00 0.00 H new ATOM 0 HD3 ARG A 9 37.241 20.229 -7.106 1.00 0.00 H new ATOM 0 HE ARG A 9 39.180 19.630 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 9 36.704 21.869 -8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 9 37.364 23.241 -8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 9 40.022 21.398 -10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.235 22.976 -10.255 1.00 0.00 H new ATOM 210 N PRO A 10 37.980 14.202 -7.338 1.00 0.00 N ATOM 211 CA PRO A 10 38.417 13.226 -6.335 1.00 0.00 C ATOM 212 C PRO A 10 39.353 13.840 -5.300 1.00 0.00 C ATOM 213 O PRO A 10 39.737 13.185 -4.331 1.00 0.00 O ATOM 214 CB PRO A 10 39.153 12.171 -7.163 1.00 0.00 C ATOM 215 CG PRO A 10 39.614 12.897 -8.380 1.00 0.00 C ATOM 216 CD PRO A 10 38.565 13.936 -8.664 1.00 0.00 C ATOM 0 HA PRO A 10 37.580 12.828 -5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.994 11.750 -6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.495 11.342 -7.422 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.587 13.360 -8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.726 12.215 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.999 14.836 -9.100 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.817 13.570 -9.367 1.00 0.00 H new ATOM 224 N ASN A 11 39.717 15.101 -5.511 1.00 0.00 N ATOM 225 CA ASN A 11 40.609 15.802 -4.595 1.00 0.00 C ATOM 226 C ASN A 11 39.942 17.057 -4.041 1.00 0.00 C ATOM 227 O ASN A 11 40.435 18.170 -4.228 1.00 0.00 O ATOM 228 CB ASN A 11 41.912 16.175 -5.305 1.00 0.00 C ATOM 229 CG ASN A 11 42.625 14.965 -5.877 1.00 0.00 C ATOM 230 OD1 ASN A 11 43.097 14.101 -5.137 1.00 0.00 O ATOM 231 ND2 ASN A 11 42.708 14.898 -7.201 1.00 0.00 N ATOM 0 H ASN A 11 39.408 15.658 -6.308 1.00 0.00 H new ATOM 0 HA ASN A 11 40.834 15.134 -3.764 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.696 16.880 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.572 16.684 -4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 11 43.177 14.108 -7.643 1.00 0.00 H new ATOM 0 HD22 ASN A 11 42.302 15.637 -7.775 1.00 0.00 H new ATOM 238 N CYS A 12 38.818 16.871 -3.357 1.00 0.00 N ATOM 239 CA CYS A 12 38.082 17.986 -2.774 1.00 0.00 C ATOM 240 C CYS A 12 37.974 17.835 -1.260 1.00 0.00 C ATOM 241 O CYS A 12 37.248 16.984 -0.746 1.00 0.00 O ATOM 242 CB CYS A 12 36.684 18.079 -3.389 1.00 0.00 C ATOM 243 SG CYS A 12 35.732 16.529 -3.309 1.00 0.00 S ATOM 0 H CYS A 12 38.397 15.957 -3.193 1.00 0.00 H new ATOM 0 HA CYS A 12 38.630 18.903 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.125 18.863 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.777 18.382 -4.432 1.00 0.00 H new ATOM 248 N PRO A 13 38.714 18.680 -0.526 1.00 0.00 N ATOM 249 CA PRO A 13 38.718 18.661 0.939 1.00 0.00 C ATOM 250 C PRO A 13 37.399 19.149 1.529 1.00 0.00 C ATOM 251 O PRO A 13 37.177 19.060 2.737 1.00 0.00 O ATOM 252 CB PRO A 13 39.853 19.621 1.303 1.00 0.00 C ATOM 253 CG PRO A 13 39.961 20.541 0.136 1.00 0.00 C ATOM 254 CD PRO A 13 39.602 19.720 -1.072 1.00 0.00 C ATOM 0 HA PRO A 13 38.850 17.653 1.333 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.630 20.168 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.787 19.084 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.287 21.391 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.970 20.944 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 13 39.099 20.320 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.486 19.288 -1.541 1.00 0.00 H new ATOM 262 N TYR A 14 36.526 19.663 0.670 1.00 0.00 N ATOM 263 CA TYR A 14 35.229 20.166 1.107 1.00 0.00 C ATOM 264 C TYR A 14 34.188 19.051 1.118 1.00 0.00 C ATOM 265 O TYR A 14 33.299 19.024 1.970 1.00 0.00 O ATOM 266 CB TYR A 14 34.766 21.303 0.194 1.00 0.00 C ATOM 267 CG TYR A 14 35.192 22.673 0.670 1.00 0.00 C ATOM 268 CD1 TYR A 14 34.904 23.104 1.959 1.00 0.00 C ATOM 269 CD2 TYR A 14 35.885 23.537 -0.170 1.00 0.00 C ATOM 270 CE1 TYR A 14 35.291 24.356 2.397 1.00 0.00 C ATOM 271 CE2 TYR A 14 36.277 24.790 0.260 1.00 0.00 C ATOM 272 CZ TYR A 14 35.977 25.195 1.544 1.00 0.00 C ATOM 273 OH TYR A 14 36.366 26.442 1.977 1.00 0.00 O ATOM 0 H TYR A 14 36.693 19.742 -0.333 1.00 0.00 H new ATOM 0 HA TYR A 14 35.338 20.546 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.161 21.137 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.679 21.276 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.368 22.449 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.121 23.223 -1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 14 35.058 24.676 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 14 36.815 25.449 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 14 36.839 26.906 1.255 1.00 0.00 H new ATOM 283 N CYS A 15 34.305 18.132 0.166 1.00 0.00 N ATOM 284 CA CYS A 15 33.375 17.013 0.064 1.00 0.00 C ATOM 285 C CYS A 15 33.317 16.234 1.374 1.00 0.00 C ATOM 286 O CYS A 15 32.326 15.565 1.668 1.00 0.00 O ATOM 287 CB CYS A 15 33.788 16.083 -1.078 1.00 0.00 C ATOM 288 SG CYS A 15 33.899 16.902 -2.702 1.00 0.00 S ATOM 0 H CYS A 15 35.035 18.140 -0.546 1.00 0.00 H new ATOM 0 HA CYS A 15 32.383 17.414 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 15 34.755 15.640 -0.840 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.070 15.265 -1.144 1.00 0.00 H new ATOM 293 N LYS A 16 34.386 16.324 2.158 1.00 0.00 N ATOM 294 CA LYS A 16 34.457 15.630 3.438 1.00 0.00 C ATOM 295 C LYS A 16 33.196 15.873 4.261 1.00 0.00 C ATOM 296 O LYS A 16 32.701 14.971 4.937 1.00 0.00 O ATOM 297 CB LYS A 16 35.688 16.090 4.223 1.00 0.00 C ATOM 298 CG LYS A 16 37.002 15.802 3.518 1.00 0.00 C ATOM 299 CD LYS A 16 38.193 16.135 4.401 1.00 0.00 C ATOM 300 CE LYS A 16 38.558 14.969 5.308 1.00 0.00 C ATOM 301 NZ LYS A 16 39.459 13.998 4.627 1.00 0.00 N ATOM 0 H LYS A 16 35.216 16.871 1.929 1.00 0.00 H new ATOM 0 HA LYS A 16 34.538 14.561 3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 16 35.611 17.162 4.407 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.692 15.599 5.196 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.041 14.750 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.057 16.383 2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.049 16.394 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.964 17.011 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.044 15.347 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 37.649 14.459 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.685 13.219 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 38.985 13.618 3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.337 14.478 4.345 1.00 0.00 H new ATOM 315 N ARG A 17 32.680 17.096 4.197 1.00 0.00 N ATOM 316 CA ARG A 17 31.477 17.458 4.936 1.00 0.00 C ATOM 317 C ARG A 17 30.269 16.681 4.420 1.00 0.00 C ATOM 318 O ARG A 17 29.565 16.027 5.189 1.00 0.00 O ATOM 319 CB ARG A 17 31.216 18.961 4.825 1.00 0.00 C ATOM 320 CG ARG A 17 32.007 19.792 5.822 1.00 0.00 C ATOM 321 CD ARG A 17 33.259 20.378 5.190 1.00 0.00 C ATOM 322 NE ARG A 17 33.002 21.673 4.565 1.00 0.00 N ATOM 323 CZ ARG A 17 32.952 22.817 5.239 1.00 0.00 C ATOM 324 NH1 ARG A 17 33.141 22.826 6.552 1.00 0.00 N ATOM 325 NH2 ARG A 17 32.714 23.955 4.600 1.00 0.00 N ATOM 0 H ARG A 17 33.077 17.853 3.641 1.00 0.00 H new ATOM 0 HA ARG A 17 31.633 17.201 5.984 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.461 19.290 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.152 19.148 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 17 31.380 20.598 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.285 19.172 6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 17 34.031 20.490 5.951 1.00 0.00 H new ATOM 0 HD3 ARG A 17 33.646 19.685 4.443 1.00 0.00 H new ATOM 0 HE ARG A 17 32.853 21.701 3.556 1.00 0.00 H new ATOM 0 HH11 ARG A 17 33.325 21.953 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 17 33.102 23.706 7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 17 32.569 23.952 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 17 32.676 24.833 5.118 1.00 0.00 H new ATOM 339 N ALA A 18 30.035 16.760 3.114 1.00 0.00 N ATOM 340 CA ALA A 18 28.913 16.064 2.496 1.00 0.00 C ATOM 341 C ALA A 18 28.990 14.563 2.752 1.00 0.00 C ATOM 342 O ALA A 18 28.042 13.960 3.254 1.00 0.00 O ATOM 343 CB ALA A 18 28.878 16.346 1.001 1.00 0.00 C ATOM 0 H ALA A 18 30.607 17.299 2.464 1.00 0.00 H new ATOM 0 HA ALA A 18 27.993 16.435 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 18 28.036 15.820 0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.767 17.418 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.806 16.002 0.544 1.00 0.00 H new ATOM 349 N ARG A 19 30.125 13.965 2.403 1.00 0.00 N ATOM 350 CA ARG A 19 30.324 12.534 2.593 1.00 0.00 C ATOM 351 C ARG A 19 30.178 12.156 4.064 1.00 0.00 C ATOM 352 O ARG A 19 29.701 11.069 4.392 1.00 0.00 O ATOM 353 CB ARG A 19 31.704 12.117 2.083 1.00 0.00 C ATOM 354 CG ARG A 19 32.845 12.547 2.991 1.00 0.00 C ATOM 355 CD ARG A 19 34.194 12.133 2.425 1.00 0.00 C ATOM 356 NE ARG A 19 34.425 12.693 1.096 1.00 0.00 N ATOM 357 CZ ARG A 19 35.424 12.319 0.304 1.00 0.00 C ATOM 358 NH1 ARG A 19 36.280 11.389 0.705 1.00 0.00 N ATOM 359 NH2 ARG A 19 35.569 12.876 -0.892 1.00 0.00 N ATOM 0 H ARG A 19 30.920 14.450 1.987 1.00 0.00 H new ATOM 0 HA ARG A 19 29.559 12.007 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.728 11.033 1.972 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.860 12.543 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.820 13.629 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.712 12.105 3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 19 34.986 12.460 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 19 34.248 11.045 2.374 1.00 0.00 H new ATOM 0 HE ARG A 19 33.784 13.411 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 19 36.172 10.959 1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 19 37.046 11.104 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.913 13.592 -1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 19 36.336 12.588 -1.499 1.00 0.00 H new ATOM 373 N ASP A 20 30.594 13.059 4.946 1.00 0.00 N ATOM 374 CA ASP A 20 30.509 12.821 6.382 1.00 0.00 C ATOM 375 C ASP A 20 29.056 12.686 6.826 1.00 0.00 C ATOM 376 O ASP A 20 28.697 11.747 7.537 1.00 0.00 O ATOM 377 CB ASP A 20 31.188 13.957 7.149 1.00 0.00 C ATOM 378 CG ASP A 20 30.916 13.891 8.640 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.071 12.798 9.224 1.00 0.00 O ATOM 380 OD2 ASP A 20 30.550 14.933 9.222 1.00 0.00 O ATOM 0 H ASP A 20 30.993 13.962 4.691 1.00 0.00 H new ATOM 0 HA ASP A 20 31.024 11.886 6.602 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.263 13.916 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 20 30.839 14.914 6.761 1.00 0.00 H new ATOM 385 N LEU A 21 28.224 13.632 6.404 1.00 0.00 N ATOM 386 CA LEU A 21 26.809 13.620 6.759 1.00 0.00 C ATOM 387 C LEU A 21 26.122 12.370 6.218 1.00 0.00 C ATOM 388 O LEU A 21 25.479 11.631 6.963 1.00 0.00 O ATOM 389 CB LEU A 21 26.117 14.872 6.216 1.00 0.00 C ATOM 390 CG LEU A 21 24.802 15.259 6.894 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.605 16.766 6.856 1.00 0.00 C ATOM 392 CD2 LEU A 21 23.631 14.549 6.230 1.00 0.00 C ATOM 0 H LEU A 21 28.505 14.417 5.816 1.00 0.00 H new ATOM 0 HA LEU A 21 26.732 13.612 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 21 26.808 15.711 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 21 25.925 14.725 5.153 1.00 0.00 H new ATOM 0 HG LEU A 21 24.847 14.946 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.664 17.022 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.428 17.254 7.378 1.00 0.00 H new ATOM 0 HD13 LEU A 21 24.581 17.104 5.820 1.00 0.00 H new ATOM 0 HD21 LEU A 21 22.703 14.836 6.725 1.00 0.00 H new ATOM 0 HD22 LEU A 21 23.583 14.831 5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 21 23.766 13.470 6.310 1.00 0.00 H new ATOM 404 N LEU A 22 26.265 12.139 4.918 1.00 0.00 N ATOM 405 CA LEU A 22 25.660 10.977 4.276 1.00 0.00 C ATOM 406 C LEU A 22 26.042 9.692 5.006 1.00 0.00 C ATOM 407 O LEU A 22 25.176 8.947 5.464 1.00 0.00 O ATOM 408 CB LEU A 22 26.095 10.894 2.812 1.00 0.00 C ATOM 409 CG LEU A 22 25.299 11.749 1.826 1.00 0.00 C ATOM 410 CD1 LEU A 22 24.689 12.950 2.533 1.00 0.00 C ATOM 411 CD2 LEU A 22 26.186 12.200 0.674 1.00 0.00 C ATOM 0 H LEU A 22 26.795 12.741 4.287 1.00 0.00 H new ATOM 0 HA LEU A 22 24.577 11.091 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.144 11.183 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 22 26.032 9.854 2.493 1.00 0.00 H new ATOM 0 HG LEU A 22 24.490 11.143 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 22 24.126 13.547 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 22 24.021 12.607 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 22 25.482 13.558 2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 22 25.603 12.807 -0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 22 27.016 12.789 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 22 26.575 11.326 0.151 1.00 0.00 H new ATOM 423 N ASP A 23 27.342 9.442 5.111 1.00 0.00 N ATOM 424 CA ASP A 23 27.839 8.250 5.788 1.00 0.00 C ATOM 425 C ASP A 23 27.375 8.216 7.241 1.00 0.00 C ATOM 426 O ASP A 23 27.022 7.161 7.767 1.00 0.00 O ATOM 427 CB ASP A 23 29.366 8.201 5.726 1.00 0.00 C ATOM 428 CG ASP A 23 29.916 6.828 6.058 1.00 0.00 C ATOM 429 OD1 ASP A 23 29.457 5.841 5.445 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.805 6.740 6.930 1.00 0.00 O ATOM 0 H ASP A 23 28.071 10.049 4.736 1.00 0.00 H new ATOM 0 HA ASP A 23 27.434 7.377 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.695 8.489 4.728 1.00 0.00 H new ATOM 0 HB3 ASP A 23 29.778 8.932 6.421 1.00 0.00 H new ATOM 435 N LYS A 24 27.378 9.379 7.884 1.00 0.00 N ATOM 436 CA LYS A 24 26.957 9.484 9.276 1.00 0.00 C ATOM 437 C LYS A 24 25.550 8.928 9.463 1.00 0.00 C ATOM 438 O LYS A 24 25.271 8.231 10.439 1.00 0.00 O ATOM 439 CB LYS A 24 27.005 10.944 9.736 1.00 0.00 C ATOM 440 CG LYS A 24 26.485 11.154 11.147 1.00 0.00 C ATOM 441 CD LYS A 24 27.253 10.316 12.155 1.00 0.00 C ATOM 442 CE LYS A 24 26.946 10.741 13.583 1.00 0.00 C ATOM 443 NZ LYS A 24 27.567 12.052 13.917 1.00 0.00 N ATOM 0 H LYS A 24 27.667 10.262 7.463 1.00 0.00 H new ATOM 0 HA LYS A 24 27.645 8.895 9.882 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.034 11.300 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.419 11.553 9.047 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.566 12.208 11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.427 10.895 11.188 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.998 9.264 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 24 28.323 10.410 11.968 1.00 0.00 H new ATOM 0 HE2 LYS A 24 25.866 10.806 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.309 9.981 14.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 27.526 12.204 14.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.559 12.055 13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.050 12.814 13.434 1.00 0.00 H new ATOM 457 N LYS A 25 24.666 9.238 8.521 1.00 0.00 N ATOM 458 CA LYS A 25 23.287 8.766 8.579 1.00 0.00 C ATOM 459 C LYS A 25 23.194 7.303 8.160 1.00 0.00 C ATOM 460 O LYS A 25 22.347 6.559 8.652 1.00 0.00 O ATOM 461 CB LYS A 25 22.395 9.623 7.678 1.00 0.00 C ATOM 462 CG LYS A 25 22.396 11.097 8.046 1.00 0.00 C ATOM 463 CD LYS A 25 21.985 11.310 9.494 1.00 0.00 C ATOM 464 CE LYS A 25 21.452 12.717 9.720 1.00 0.00 C ATOM 465 NZ LYS A 25 22.518 13.644 10.192 1.00 0.00 N ATOM 0 H LYS A 25 24.880 9.815 7.707 1.00 0.00 H new ATOM 0 HA LYS A 25 22.943 8.853 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 25 22.725 9.515 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.374 9.246 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 25 23.390 11.513 7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.714 11.637 7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.221 10.582 9.768 1.00 0.00 H new ATOM 0 HD3 LYS A 25 22.841 11.135 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.025 13.097 8.792 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.646 12.687 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.115 14.592 10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.909 13.295 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.275 13.693 9.481 1.00 0.00 H new ATOM 479 N GLY A 26 24.073 6.895 7.249 1.00 0.00 N ATOM 480 CA GLY A 26 24.074 5.522 6.781 1.00 0.00 C ATOM 481 C GLY A 26 23.417 5.372 5.423 1.00 0.00 C ATOM 482 O GLY A 26 22.436 4.643 5.276 1.00 0.00 O ATOM 0 H GLY A 26 24.784 7.492 6.827 1.00 0.00 H new ATOM 0 HA2 GLY A 26 25.101 5.161 6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.553 4.894 7.504 1.00 0.00 H new ATOM 486 N VAL A 27 23.959 6.064 4.426 1.00 0.00 N ATOM 487 CA VAL A 27 23.419 6.006 3.072 1.00 0.00 C ATOM 488 C VAL A 27 24.526 5.782 2.049 1.00 0.00 C ATOM 489 O VAL A 27 25.711 5.829 2.378 1.00 0.00 O ATOM 490 CB VAL A 27 22.658 7.296 2.715 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.265 7.282 3.327 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.438 8.519 3.174 1.00 0.00 C ATOM 0 H VAL A 27 24.772 6.671 4.530 1.00 0.00 H new ATOM 0 HA VAL A 27 22.726 5.165 3.043 1.00 0.00 H new ATOM 0 HB VAL A 27 22.552 7.346 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.743 8.202 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.708 6.426 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.345 7.208 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.885 9.422 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.577 8.478 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.411 8.535 2.683 1.00 0.00 H new ATOM 502 N LYS A 28 24.132 5.537 0.803 1.00 0.00 N ATOM 503 CA LYS A 28 25.090 5.307 -0.271 1.00 0.00 C ATOM 504 C LYS A 28 25.114 6.485 -1.240 1.00 0.00 C ATOM 505 O LYS A 28 24.151 6.720 -1.971 1.00 0.00 O ATOM 506 CB LYS A 28 24.743 4.021 -1.025 1.00 0.00 C ATOM 507 CG LYS A 28 25.294 2.765 -0.370 1.00 0.00 C ATOM 508 CD LYS A 28 24.389 2.277 0.749 1.00 0.00 C ATOM 509 CE LYS A 28 23.275 1.388 0.217 1.00 0.00 C ATOM 510 NZ LYS A 28 22.088 1.388 1.116 1.00 0.00 N ATOM 0 H LYS A 28 23.155 5.493 0.513 1.00 0.00 H new ATOM 0 HA LYS A 28 26.080 5.205 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.659 3.935 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 28 25.130 4.090 -2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.403 1.981 -1.119 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.289 2.967 0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 28 24.979 1.725 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 28 23.957 3.132 1.268 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.979 1.730 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 28 23.646 0.369 0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.351 0.771 0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.364 1.037 2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 21.718 2.356 1.203 1.00 0.00 H new ATOM 524 N TYR A 29 26.220 7.221 -1.242 1.00 0.00 N ATOM 525 CA TYR A 29 26.369 8.375 -2.121 1.00 0.00 C ATOM 526 C TYR A 29 27.223 8.027 -3.336 1.00 0.00 C ATOM 527 O TYR A 29 28.169 7.244 -3.243 1.00 0.00 O ATOM 528 CB TYR A 29 26.996 9.544 -1.360 1.00 0.00 C ATOM 529 CG TYR A 29 28.401 9.267 -0.874 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.489 9.391 -1.729 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.640 8.878 0.438 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.775 9.138 -1.290 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.922 8.625 0.886 1.00 0.00 C ATOM 534 CZ TYR A 29 30.986 8.756 0.018 1.00 0.00 C ATOM 535 OH TYR A 29 32.264 8.502 0.460 1.00 0.00 O ATOM 0 H TYR A 29 27.027 7.039 -0.645 1.00 0.00 H new ATOM 0 HA TYR A 29 25.378 8.666 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 29 27.011 10.421 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.366 9.789 -0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.327 9.690 -2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.809 8.772 1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.610 9.239 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.090 8.326 1.910 1.00 0.00 H new ATOM 0 HH TYR A 29 32.238 8.245 1.405 1.00 0.00 H new ATOM 545 N THR A 30 26.882 8.617 -4.478 1.00 0.00 N ATOM 546 CA THR A 30 27.616 8.371 -5.713 1.00 0.00 C ATOM 547 C THR A 30 28.552 9.530 -6.037 1.00 0.00 C ATOM 548 O THR A 30 28.106 10.652 -6.277 1.00 0.00 O ATOM 549 CB THR A 30 26.659 8.151 -6.901 1.00 0.00 C ATOM 550 OG1 THR A 30 25.849 6.994 -6.669 1.00 0.00 O ATOM 551 CG2 THR A 30 27.437 7.981 -8.197 1.00 0.00 C ATOM 0 H THR A 30 26.103 9.268 -4.573 1.00 0.00 H new ATOM 0 HA THR A 30 28.203 7.466 -5.557 1.00 0.00 H new ATOM 0 HB THR A 30 26.019 9.029 -6.992 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.242 6.862 -7.427 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.741 7.827 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 30 28.030 8.876 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 30 28.098 7.118 -8.114 1.00 0.00 H new ATOM 559 N ASP A 31 29.851 9.251 -6.044 1.00 0.00 N ATOM 560 CA ASP A 31 30.850 10.271 -6.340 1.00 0.00 C ATOM 561 C ASP A 31 31.063 10.401 -7.845 1.00 0.00 C ATOM 562 O ASP A 31 31.531 9.468 -8.498 1.00 0.00 O ATOM 563 CB ASP A 31 32.174 9.934 -5.652 1.00 0.00 C ATOM 564 CG ASP A 31 33.304 10.842 -6.095 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.837 10.629 -7.204 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.657 11.766 -5.331 1.00 0.00 O ATOM 0 H ASP A 31 30.237 8.327 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 31 30.484 11.224 -5.959 1.00 0.00 H new ATOM 0 HB2 ASP A 31 32.050 10.014 -4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.438 8.899 -5.867 1.00 0.00 H new ATOM 571 N ILE A 32 30.717 11.563 -8.388 1.00 0.00 N ATOM 572 CA ILE A 32 30.870 11.814 -9.816 1.00 0.00 C ATOM 573 C ILE A 32 32.132 12.623 -10.099 1.00 0.00 C ATOM 574 O ILE A 32 32.286 13.743 -9.610 1.00 0.00 O ATOM 575 CB ILE A 32 29.654 12.564 -10.390 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.362 11.813 -10.060 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.801 12.740 -11.894 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.217 10.504 -10.805 1.00 0.00 C ATOM 0 H ILE A 32 30.329 12.345 -7.861 1.00 0.00 H new ATOM 0 HA ILE A 32 30.948 10.841 -10.301 1.00 0.00 H new ATOM 0 HB ILE A 32 29.606 13.552 -9.932 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.329 11.617 -8.988 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.510 12.451 -10.294 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.933 13.272 -12.285 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.704 13.313 -12.107 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.871 11.762 -12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.279 10.026 -10.522 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.218 10.694 -11.878 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.049 9.847 -10.552 1.00 0.00 H new ATOM 590 N ASP A 33 33.030 12.050 -10.892 1.00 0.00 N ATOM 591 CA ASP A 33 34.277 12.719 -11.244 1.00 0.00 C ATOM 592 C ASP A 33 34.010 14.125 -11.772 1.00 0.00 C ATOM 593 O ASP A 33 33.033 14.356 -12.484 1.00 0.00 O ATOM 594 CB ASP A 33 35.041 11.905 -12.289 1.00 0.00 C ATOM 595 CG ASP A 33 36.536 12.149 -12.235 1.00 0.00 C ATOM 596 OD1 ASP A 33 37.157 11.806 -11.207 1.00 0.00 O ATOM 597 OD2 ASP A 33 37.085 12.683 -13.221 1.00 0.00 O ATOM 0 H ASP A 33 32.918 11.123 -11.304 1.00 0.00 H new ATOM 0 HA ASP A 33 34.884 12.798 -10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.843 10.844 -12.134 1.00 0.00 H new ATOM 0 HB3 ASP A 33 34.671 12.157 -13.283 1.00 0.00 H new ATOM 602 N ALA A 34 34.884 15.061 -11.417 1.00 0.00 N ATOM 603 CA ALA A 34 34.743 16.444 -11.856 1.00 0.00 C ATOM 604 C ALA A 34 34.850 16.552 -13.373 1.00 0.00 C ATOM 605 O ALA A 34 34.459 17.559 -13.963 1.00 0.00 O ATOM 606 CB ALA A 34 35.792 17.320 -11.187 1.00 0.00 C ATOM 0 H ALA A 34 35.697 14.887 -10.827 1.00 0.00 H new ATOM 0 HA ALA A 34 33.753 16.793 -11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.675 18.350 -11.524 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.667 17.276 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.787 16.963 -11.452 1.00 0.00 H new ATOM 612 N SER A 35 35.383 15.508 -14.000 1.00 0.00 N ATOM 613 CA SER A 35 35.546 15.488 -15.449 1.00 0.00 C ATOM 614 C SER A 35 34.237 15.841 -16.148 1.00 0.00 C ATOM 615 O SER A 35 33.323 15.020 -16.233 1.00 0.00 O ATOM 616 CB SER A 35 36.028 14.111 -15.910 1.00 0.00 C ATOM 617 OG SER A 35 36.182 14.070 -17.318 1.00 0.00 O ATOM 0 H SER A 35 35.709 14.665 -13.527 1.00 0.00 H new ATOM 0 HA SER A 35 36.293 16.235 -15.716 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.978 13.875 -15.430 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.315 13.349 -15.597 1.00 0.00 H new ATOM 0 HG SER A 35 36.492 13.180 -17.587 1.00 0.00 H new ATOM 623 N THR A 36 34.153 17.071 -16.647 1.00 0.00 N ATOM 624 CA THR A 36 32.956 17.535 -17.338 1.00 0.00 C ATOM 625 C THR A 36 32.563 16.580 -18.459 1.00 0.00 C ATOM 626 O THR A 36 31.388 16.471 -18.811 1.00 0.00 O ATOM 627 CB THR A 36 33.158 18.944 -17.926 1.00 0.00 C ATOM 628 OG1 THR A 36 34.141 18.904 -18.967 1.00 0.00 O ATOM 629 CG2 THR A 36 33.595 19.924 -16.847 1.00 0.00 C ATOM 0 H THR A 36 34.900 17.763 -16.585 1.00 0.00 H new ATOM 0 HA THR A 36 32.157 17.569 -16.598 1.00 0.00 H new ATOM 0 HB THR A 36 32.207 19.281 -18.337 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.262 19.803 -19.337 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.731 20.912 -17.287 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.832 19.974 -16.070 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.536 19.588 -16.410 1.00 0.00 H new ATOM 637 N SER A 37 33.552 15.889 -19.016 1.00 0.00 N ATOM 638 CA SER A 37 33.309 14.945 -20.100 1.00 0.00 C ATOM 639 C SER A 37 32.179 13.985 -19.741 1.00 0.00 C ATOM 640 O SER A 37 31.441 13.523 -20.613 1.00 0.00 O ATOM 641 CB SER A 37 34.583 14.158 -20.414 1.00 0.00 C ATOM 642 OG SER A 37 34.485 13.510 -21.671 1.00 0.00 O ATOM 0 H SER A 37 34.529 15.965 -18.734 1.00 0.00 H new ATOM 0 HA SER A 37 33.014 15.511 -20.983 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.440 14.832 -20.414 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.759 13.419 -19.633 1.00 0.00 H new ATOM 0 HG SER A 37 35.312 13.015 -21.849 1.00 0.00 H new ATOM 648 N LEU A 38 32.051 13.688 -18.453 1.00 0.00 N ATOM 649 CA LEU A 38 31.011 12.783 -17.976 1.00 0.00 C ATOM 650 C LEU A 38 30.069 13.495 -17.011 1.00 0.00 C ATOM 651 O LEU A 38 28.862 13.254 -17.015 1.00 0.00 O ATOM 652 CB LEU A 38 31.639 11.568 -17.291 1.00 0.00 C ATOM 653 CG LEU A 38 32.617 10.752 -18.137 1.00 0.00 C ATOM 654 CD1 LEU A 38 33.550 9.946 -17.247 1.00 0.00 C ATOM 655 CD2 LEU A 38 31.862 9.835 -19.089 1.00 0.00 C ATOM 0 H LEU A 38 32.654 14.061 -17.720 1.00 0.00 H new ATOM 0 HA LEU A 38 30.433 12.448 -18.837 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.160 11.909 -16.397 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.837 10.908 -16.960 1.00 0.00 H new ATOM 0 HG LEU A 38 33.219 11.442 -18.728 1.00 0.00 H new ATOM 0 HD11 LEU A 38 34.239 9.372 -17.867 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.116 10.622 -16.606 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.965 9.265 -16.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.574 9.262 -19.683 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.235 9.152 -18.516 1.00 0.00 H new ATOM 0 HD23 LEU A 38 31.236 10.433 -19.751 1.00 0.00 H new ATOM 667 N ARG A 39 30.629 14.374 -16.186 1.00 0.00 N ATOM 668 CA ARG A 39 29.840 15.122 -15.216 1.00 0.00 C ATOM 669 C ARG A 39 28.819 16.014 -15.917 1.00 0.00 C ATOM 670 O ARG A 39 27.638 16.010 -15.573 1.00 0.00 O ATOM 671 CB ARG A 39 30.753 15.972 -14.330 1.00 0.00 C ATOM 672 CG ARG A 39 29.999 16.909 -13.400 1.00 0.00 C ATOM 673 CD ARG A 39 29.965 18.328 -13.946 1.00 0.00 C ATOM 674 NE ARG A 39 31.167 19.079 -13.592 1.00 0.00 N ATOM 675 CZ ARG A 39 31.545 20.193 -14.209 1.00 0.00 C ATOM 676 NH1 ARG A 39 30.819 20.683 -15.204 1.00 0.00 N ATOM 677 NH2 ARG A 39 32.652 20.820 -13.829 1.00 0.00 N ATOM 0 H ARG A 39 31.627 14.585 -16.171 1.00 0.00 H new ATOM 0 HA ARG A 39 29.304 14.406 -14.592 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.384 15.312 -13.734 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.416 16.560 -14.965 1.00 0.00 H new ATOM 0 HG2 ARG A 39 28.980 16.546 -13.264 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.472 16.907 -12.418 1.00 0.00 H new ATOM 0 HD2 ARG A 39 29.863 18.297 -15.031 1.00 0.00 H new ATOM 0 HD3 ARG A 39 29.087 18.845 -13.558 1.00 0.00 H new ATOM 0 HE ARG A 39 31.747 18.729 -12.830 1.00 0.00 H new ATOM 0 HH11 ARG A 39 29.967 20.204 -15.498 1.00 0.00 H new ATOM 0 HH12 ARG A 39 31.112 21.539 -15.676 1.00 0.00 H new ATOM 0 HH21 ARG A 39 33.212 20.446 -13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 39 32.942 21.675 -14.303 1.00 0.00 H new ATOM 691 N GLN A 40 29.285 16.777 -16.901 1.00 0.00 N ATOM 692 CA GLN A 40 28.413 17.675 -17.649 1.00 0.00 C ATOM 693 C GLN A 40 27.207 16.924 -18.204 1.00 0.00 C ATOM 694 O GLN A 40 26.089 17.439 -18.202 1.00 0.00 O ATOM 695 CB GLN A 40 29.186 18.337 -18.790 1.00 0.00 C ATOM 696 CG GLN A 40 28.476 19.541 -19.388 1.00 0.00 C ATOM 697 CD GLN A 40 29.137 20.037 -20.659 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.923 19.323 -21.283 1.00 0.00 O ATOM 699 NE2 GLN A 40 28.822 21.266 -21.050 1.00 0.00 N ATOM 0 H GLN A 40 30.261 16.791 -17.198 1.00 0.00 H new ATOM 0 HA GLN A 40 28.056 18.446 -16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.164 18.648 -18.423 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.360 17.601 -19.575 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.440 19.278 -19.601 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.456 20.347 -18.655 1.00 0.00 H new ATOM 0 HE21 GLN A 40 28.166 21.823 -20.503 1.00 0.00 H new ATOM 0 HE22 GLN A 40 29.236 21.653 -21.898 1.00 0.00 H new ATOM 708 N GLU A 41 27.442 15.705 -18.679 1.00 0.00 N ATOM 709 CA GLU A 41 26.373 14.885 -19.238 1.00 0.00 C ATOM 710 C GLU A 41 25.396 14.449 -18.151 1.00 0.00 C ATOM 711 O GLU A 41 24.183 14.596 -18.297 1.00 0.00 O ATOM 712 CB GLU A 41 26.957 13.655 -19.937 1.00 0.00 C ATOM 713 CG GLU A 41 28.204 13.954 -20.753 1.00 0.00 C ATOM 714 CD GLU A 41 28.004 15.100 -21.726 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.974 15.108 -22.431 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.879 15.989 -21.781 1.00 0.00 O ATOM 0 H GLU A 41 28.362 15.264 -18.688 1.00 0.00 H new ATOM 0 HA GLU A 41 25.832 15.487 -19.968 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.196 12.901 -19.187 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.199 13.225 -20.592 1.00 0.00 H new ATOM 0 HG2 GLU A 41 29.026 14.194 -20.079 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.495 13.060 -21.305 1.00 0.00 H new ATOM 723 N MET A 42 25.934 13.911 -17.061 1.00 0.00 N ATOM 724 CA MET A 42 25.109 13.453 -15.948 1.00 0.00 C ATOM 725 C MET A 42 24.253 14.591 -15.403 1.00 0.00 C ATOM 726 O MET A 42 23.038 14.453 -15.258 1.00 0.00 O ATOM 727 CB MET A 42 25.989 12.882 -14.835 1.00 0.00 C ATOM 728 CG MET A 42 26.569 11.515 -15.159 1.00 0.00 C ATOM 729 SD MET A 42 25.973 10.226 -14.049 1.00 0.00 S ATOM 730 CE MET A 42 27.456 9.241 -13.847 1.00 0.00 C ATOM 0 H MET A 42 26.936 13.781 -16.924 1.00 0.00 H new ATOM 0 HA MET A 42 24.448 12.669 -16.316 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.806 13.576 -14.637 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.402 12.811 -13.919 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.315 11.251 -16.186 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.656 11.563 -15.102 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.426 8.731 -12.884 1.00 0.00 H new ATOM 0 HE2 MET A 42 27.514 8.503 -14.647 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.331 9.889 -13.887 1.00 0.00 H new ATOM 740 N VAL A 43 24.894 15.716 -15.101 1.00 0.00 N ATOM 741 CA VAL A 43 24.191 16.878 -14.571 1.00 0.00 C ATOM 742 C VAL A 43 23.200 17.432 -15.589 1.00 0.00 C ATOM 743 O VAL A 43 22.122 17.903 -15.228 1.00 0.00 O ATOM 744 CB VAL A 43 25.173 17.994 -14.169 1.00 0.00 C ATOM 745 CG1 VAL A 43 25.838 18.591 -15.400 1.00 0.00 C ATOM 746 CG2 VAL A 43 24.458 19.069 -13.365 1.00 0.00 C ATOM 0 H VAL A 43 25.899 15.847 -15.214 1.00 0.00 H new ATOM 0 HA VAL A 43 23.651 16.543 -13.686 1.00 0.00 H new ATOM 0 HB VAL A 43 25.951 17.560 -13.541 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.528 19.378 -15.095 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.386 17.813 -15.931 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.077 19.011 -16.057 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.167 19.849 -13.089 1.00 0.00 H new ATOM 0 HG22 VAL A 43 23.658 19.501 -13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.035 18.628 -12.462 1.00 0.00 H new ATOM 756 N GLN A 44 23.573 17.371 -16.864 1.00 0.00 N ATOM 757 CA GLN A 44 22.716 17.866 -17.934 1.00 0.00 C ATOM 758 C GLN A 44 21.384 17.125 -17.953 1.00 0.00 C ATOM 759 O GLN A 44 20.319 17.743 -17.981 1.00 0.00 O ATOM 760 CB GLN A 44 23.416 17.715 -19.287 1.00 0.00 C ATOM 761 CG GLN A 44 24.166 18.962 -19.726 1.00 0.00 C ATOM 762 CD GLN A 44 24.982 18.740 -20.984 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.215 17.602 -21.393 1.00 0.00 O ATOM 764 NE2 GLN A 44 25.422 19.828 -21.605 1.00 0.00 N ATOM 0 H GLN A 44 24.462 16.984 -17.180 1.00 0.00 H new ATOM 0 HA GLN A 44 22.520 18.922 -17.749 1.00 0.00 H new ATOM 0 HB2 GLN A 44 24.115 16.880 -19.234 1.00 0.00 H new ATOM 0 HB3 GLN A 44 22.674 17.462 -20.044 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.453 19.768 -19.898 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.826 19.286 -18.922 1.00 0.00 H new ATOM 0 HE21 GLN A 44 25.205 20.752 -21.231 1.00 0.00 H new ATOM 0 HE22 GLN A 44 25.977 19.740 -22.456 1.00 0.00 H new ATOM 773 N ARG A 45 21.450 15.798 -17.937 1.00 0.00 N ATOM 774 CA ARG A 45 20.248 14.972 -17.953 1.00 0.00 C ATOM 775 C ARG A 45 19.649 14.857 -16.555 1.00 0.00 C ATOM 776 O ARG A 45 18.514 14.410 -16.390 1.00 0.00 O ATOM 777 CB ARG A 45 20.568 13.580 -18.500 1.00 0.00 C ATOM 778 CG ARG A 45 19.474 13.008 -19.387 1.00 0.00 C ATOM 779 CD ARG A 45 19.565 11.493 -19.476 1.00 0.00 C ATOM 780 NE ARG A 45 19.311 11.008 -20.830 1.00 0.00 N ATOM 781 CZ ARG A 45 20.186 11.111 -21.824 1.00 0.00 C ATOM 782 NH1 ARG A 45 21.367 11.677 -21.616 1.00 0.00 N ATOM 783 NH2 ARG A 45 19.882 10.645 -23.029 1.00 0.00 N ATOM 0 H ARG A 45 22.323 15.271 -17.913 1.00 0.00 H new ATOM 0 HA ARG A 45 19.516 15.451 -18.604 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.497 13.627 -19.068 1.00 0.00 H new ATOM 0 HB3 ARG A 45 20.739 12.901 -17.665 1.00 0.00 H new ATOM 0 HG2 ARG A 45 18.498 13.293 -18.993 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.552 13.438 -20.386 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.555 11.170 -19.155 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.846 11.046 -18.790 1.00 0.00 H new ATOM 0 HE ARG A 45 18.412 10.566 -21.023 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.605 12.035 -20.691 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.037 11.755 -22.381 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.975 10.207 -23.193 1.00 0.00 H new ATOM 0 HH22 ARG A 45 20.555 10.725 -23.791 1.00 0.00 H new ATOM 797 N ALA A 46 20.420 15.262 -15.551 1.00 0.00 N ATOM 798 CA ALA A 46 19.965 15.205 -14.167 1.00 0.00 C ATOM 799 C ALA A 46 18.961 16.315 -13.874 1.00 0.00 C ATOM 800 O ALA A 46 17.950 16.090 -13.211 1.00 0.00 O ATOM 801 CB ALA A 46 21.151 15.299 -13.218 1.00 0.00 C ATOM 0 H ALA A 46 21.363 15.633 -15.670 1.00 0.00 H new ATOM 0 HA ALA A 46 19.465 14.249 -14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.797 15.255 -12.188 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.832 14.468 -13.403 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.675 16.241 -13.382 1.00 0.00 H new ATOM 807 N ASN A 47 19.249 17.513 -14.370 1.00 0.00 N ATOM 808 CA ASN A 47 18.371 18.659 -14.160 1.00 0.00 C ATOM 809 C ASN A 47 17.751 19.118 -15.476 1.00 0.00 C ATOM 810 O ASN A 47 16.582 19.500 -15.524 1.00 0.00 O ATOM 811 CB ASN A 47 19.147 19.812 -13.519 1.00 0.00 C ATOM 812 CG ASN A 47 19.749 20.747 -14.550 1.00 0.00 C ATOM 813 OD1 ASN A 47 19.267 21.862 -14.750 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.808 20.295 -15.211 1.00 0.00 N ATOM 0 H ASN A 47 20.083 17.716 -14.920 1.00 0.00 H new ATOM 0 HA ASN A 47 17.569 18.352 -13.489 1.00 0.00 H new ATOM 0 HB2 ASN A 47 18.481 20.376 -12.866 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.941 19.407 -12.892 1.00 0.00 H new ATOM 0 HD21 ASN A 47 21.256 20.879 -15.917 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.174 19.364 -15.012 1.00 0.00 H new ATOM 821 N GLY A 48 18.542 19.077 -16.543 1.00 0.00 N ATOM 822 CA GLY A 48 18.054 19.491 -17.846 1.00 0.00 C ATOM 823 C GLY A 48 19.091 20.264 -18.635 1.00 0.00 C ATOM 824 O GLY A 48 19.205 20.100 -19.850 1.00 0.00 O ATOM 0 H GLY A 48 19.513 18.764 -16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.752 18.611 -18.414 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.165 20.108 -17.718 1.00 0.00 H new ATOM 828 N ARG A 49 19.848 21.111 -17.945 1.00 0.00 N ATOM 829 CA ARG A 49 20.879 21.915 -18.590 1.00 0.00 C ATOM 830 C ARG A 49 21.793 22.561 -17.553 1.00 0.00 C ATOM 831 O ARG A 49 21.420 23.538 -16.905 1.00 0.00 O ATOM 832 CB ARG A 49 20.240 22.995 -19.465 1.00 0.00 C ATOM 833 CG ARG A 49 21.232 24.020 -19.988 1.00 0.00 C ATOM 834 CD ARG A 49 20.536 25.114 -20.783 1.00 0.00 C ATOM 835 NE ARG A 49 21.445 26.204 -21.127 1.00 0.00 N ATOM 836 CZ ARG A 49 21.045 27.357 -21.651 1.00 0.00 C ATOM 837 NH1 ARG A 49 19.759 27.570 -21.888 1.00 0.00 N ATOM 838 NH2 ARG A 49 21.933 28.301 -21.937 1.00 0.00 N ATOM 0 H ARG A 49 19.767 21.258 -16.939 1.00 0.00 H new ATOM 0 HA ARG A 49 21.479 21.256 -19.218 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.743 22.519 -20.310 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.469 23.508 -18.890 1.00 0.00 H new ATOM 0 HG2 ARG A 49 21.773 24.464 -19.152 1.00 0.00 H new ATOM 0 HG3 ARG A 49 21.971 23.525 -20.618 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.118 24.689 -21.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.701 25.508 -20.203 1.00 0.00 H new ATOM 0 HE ARG A 49 22.442 26.073 -20.955 1.00 0.00 H new ATOM 0 HH11 ARG A 49 19.073 26.848 -21.668 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.455 28.456 -22.290 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.924 28.141 -21.754 1.00 0.00 H new ATOM 0 HH22 ARG A 49 21.625 29.186 -22.339 1.00 0.00 H new ATOM 852 N ASN A 50 22.991 22.007 -17.401 1.00 0.00 N ATOM 853 CA ASN A 50 23.959 22.528 -16.442 1.00 0.00 C ATOM 854 C ASN A 50 25.359 22.002 -16.741 1.00 0.00 C ATOM 855 O ASN A 50 25.520 20.925 -17.316 1.00 0.00 O ATOM 856 CB ASN A 50 23.551 22.147 -15.017 1.00 0.00 C ATOM 857 CG ASN A 50 22.598 23.152 -14.400 1.00 0.00 C ATOM 858 OD1 ASN A 50 21.541 22.787 -13.885 1.00 0.00 O ATOM 859 ND2 ASN A 50 22.968 24.427 -14.450 1.00 0.00 N ATOM 0 H ASN A 50 23.315 21.197 -17.930 1.00 0.00 H new ATOM 0 HA ASN A 50 23.973 23.614 -16.531 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.081 21.164 -15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 50 24.443 22.067 -14.396 1.00 0.00 H new ATOM 0 HD21 ASN A 50 22.367 25.148 -14.052 1.00 0.00 H new ATOM 0 HD22 ASN A 50 23.853 24.684 -14.887 1.00 0.00 H new ATOM 866 N THR A 51 26.371 22.768 -16.345 1.00 0.00 N ATOM 867 CA THR A 51 27.757 22.380 -16.570 1.00 0.00 C ATOM 868 C THR A 51 28.666 22.928 -15.476 1.00 0.00 C ATOM 869 O THR A 51 29.647 23.617 -15.757 1.00 0.00 O ATOM 870 CB THR A 51 28.264 22.875 -17.938 1.00 0.00 C ATOM 871 OG1 THR A 51 29.644 22.532 -18.103 1.00 0.00 O ATOM 872 CG2 THR A 51 28.092 24.381 -18.066 1.00 0.00 C ATOM 0 H THR A 51 26.256 23.661 -15.866 1.00 0.00 H new ATOM 0 HA THR A 51 27.787 21.291 -16.552 1.00 0.00 H new ATOM 0 HB THR A 51 27.674 22.390 -18.716 1.00 0.00 H new ATOM 0 HG1 THR A 51 30.175 22.969 -17.405 1.00 0.00 H new ATOM 0 HG21 THR A 51 28.457 24.707 -19.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 27.037 24.636 -17.970 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.659 24.880 -17.280 1.00 0.00 H new ATOM 880 N PHE A 52 28.335 22.617 -14.227 1.00 0.00 N ATOM 881 CA PHE A 52 29.122 23.078 -13.090 1.00 0.00 C ATOM 882 C PHE A 52 29.017 22.100 -11.923 1.00 0.00 C ATOM 883 O PHE A 52 28.041 21.364 -11.783 1.00 0.00 O ATOM 884 CB PHE A 52 28.654 24.467 -12.649 1.00 0.00 C ATOM 885 CG PHE A 52 29.072 25.565 -13.584 1.00 0.00 C ATOM 886 CD1 PHE A 52 30.302 26.187 -13.438 1.00 0.00 C ATOM 887 CD2 PHE A 52 28.235 25.977 -14.608 1.00 0.00 C ATOM 888 CE1 PHE A 52 30.690 27.198 -14.297 1.00 0.00 C ATOM 889 CE2 PHE A 52 28.618 26.987 -15.471 1.00 0.00 C ATOM 890 CZ PHE A 52 29.846 27.599 -15.314 1.00 0.00 C ATOM 0 H PHE A 52 27.527 22.047 -13.977 1.00 0.00 H new ATOM 0 HA PHE A 52 30.165 23.135 -13.401 1.00 0.00 H new ATOM 0 HB2 PHE A 52 27.567 24.466 -12.565 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.050 24.677 -11.655 1.00 0.00 H new ATOM 0 HD1 PHE A 52 30.965 25.878 -12.644 1.00 0.00 H new ATOM 0 HD2 PHE A 52 27.272 25.504 -14.734 1.00 0.00 H new ATOM 0 HE1 PHE A 52 31.652 27.674 -14.173 1.00 0.00 H new ATOM 0 HE2 PHE A 52 27.957 27.297 -16.267 1.00 0.00 H new ATOM 0 HZ PHE A 52 30.146 28.390 -15.985 1.00 0.00 H new ATOM 900 N PRO A 53 30.049 22.090 -11.066 1.00 0.00 N ATOM 901 CA PRO A 53 30.098 21.208 -9.897 1.00 0.00 C ATOM 902 C PRO A 53 29.086 21.605 -8.827 1.00 0.00 C ATOM 903 O PRO A 53 28.801 22.788 -8.640 1.00 0.00 O ATOM 904 CB PRO A 53 31.526 21.389 -9.375 1.00 0.00 C ATOM 905 CG PRO A 53 31.934 22.741 -9.849 1.00 0.00 C ATOM 906 CD PRO A 53 31.246 22.941 -11.172 1.00 0.00 C ATOM 0 HA PRO A 53 29.850 20.178 -10.154 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.561 21.323 -8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.190 20.616 -9.763 1.00 0.00 H new ATOM 0 HG2 PRO A 53 31.639 23.510 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.017 22.806 -9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 53 30.983 23.986 -11.334 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.881 22.639 -12.005 1.00 0.00 H new ATOM 914 N GLN A 54 28.548 20.610 -8.129 1.00 0.00 N ATOM 915 CA GLN A 54 27.567 20.858 -7.079 1.00 0.00 C ATOM 916 C GLN A 54 27.138 19.553 -6.417 1.00 0.00 C ATOM 917 O GLN A 54 27.576 18.472 -6.812 1.00 0.00 O ATOM 918 CB GLN A 54 26.346 21.579 -7.652 1.00 0.00 C ATOM 919 CG GLN A 54 25.888 21.029 -8.993 1.00 0.00 C ATOM 920 CD GLN A 54 25.450 19.580 -8.910 1.00 0.00 C ATOM 921 OE1 GLN A 54 25.839 18.753 -9.735 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.634 19.264 -7.911 1.00 0.00 N ATOM 0 H GLN A 54 28.775 19.626 -8.271 1.00 0.00 H new ATOM 0 HA GLN A 54 28.032 21.492 -6.324 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.524 21.507 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.579 22.638 -7.764 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.062 21.634 -9.366 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.700 21.119 -9.715 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.336 19.981 -7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 54 24.305 18.304 -7.805 1.00 0.00 H new ATOM 931 N ILE A 55 26.280 19.662 -5.408 1.00 0.00 N ATOM 932 CA ILE A 55 25.791 18.490 -4.692 1.00 0.00 C ATOM 933 C ILE A 55 24.379 18.125 -5.135 1.00 0.00 C ATOM 934 O ILE A 55 23.430 18.874 -4.902 1.00 0.00 O ATOM 935 CB ILE A 55 25.797 18.718 -3.169 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.218 19.003 -2.679 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.215 17.510 -2.450 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.612 20.459 -2.783 1.00 0.00 C ATOM 0 H ILE A 55 25.909 20.549 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 55 26.467 17.669 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 55 25.175 19.584 -2.944 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.306 18.684 -1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 55 27.920 18.403 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.226 17.687 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.189 17.349 -2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.812 16.628 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.631 20.587 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.556 20.778 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.933 21.064 -2.182 1.00 0.00 H new ATOM 950 N PHE A 56 24.245 16.967 -5.773 1.00 0.00 N ATOM 951 CA PHE A 56 22.948 16.501 -6.248 1.00 0.00 C ATOM 952 C PHE A 56 22.299 15.568 -5.230 1.00 0.00 C ATOM 953 O PHE A 56 22.962 14.707 -4.651 1.00 0.00 O ATOM 954 CB PHE A 56 23.100 15.782 -7.591 1.00 0.00 C ATOM 955 CG PHE A 56 22.300 16.405 -8.698 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.945 16.147 -8.822 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.904 17.249 -9.617 1.00 0.00 C ATOM 958 CE1 PHE A 56 20.205 16.719 -9.840 1.00 0.00 C ATOM 959 CE2 PHE A 56 22.170 17.824 -10.637 1.00 0.00 C ATOM 960 CZ PHE A 56 20.819 17.558 -10.749 1.00 0.00 C ATOM 0 H PHE A 56 25.019 16.334 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 56 22.304 17.371 -6.380 1.00 0.00 H new ATOM 0 HB2 PHE A 56 24.153 15.776 -7.873 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.795 14.742 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.460 15.491 -8.114 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.960 17.460 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 56 19.149 16.510 -9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 56 22.652 18.481 -11.346 1.00 0.00 H new ATOM 0 HZ PHE A 56 20.244 18.005 -11.546 1.00 0.00 H new ATOM 970 N ILE A 57 20.999 15.745 -5.018 1.00 0.00 N ATOM 971 CA ILE A 57 20.260 14.920 -4.071 1.00 0.00 C ATOM 972 C ILE A 57 18.872 14.581 -4.603 1.00 0.00 C ATOM 973 O ILE A 57 18.070 15.470 -4.887 1.00 0.00 O ATOM 974 CB ILE A 57 20.118 15.619 -2.706 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.669 17.069 -2.896 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.432 15.561 -1.941 1.00 0.00 C ATOM 977 CD1 ILE A 57 19.331 17.772 -1.600 1.00 0.00 C ATOM 0 H ILE A 57 20.436 16.453 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 57 20.831 14.001 -3.941 1.00 0.00 H new ATOM 0 HB ILE A 57 19.359 15.096 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.459 17.622 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.796 17.088 -3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.315 16.059 -0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.713 14.520 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.211 16.062 -2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.021 18.795 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 57 18.520 17.243 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.209 17.785 -0.954 1.00 0.00 H new ATOM 989 N GLY A 58 18.594 13.287 -4.735 1.00 0.00 N ATOM 990 CA GLY A 58 17.301 12.853 -5.231 1.00 0.00 C ATOM 991 C GLY A 58 16.885 13.592 -6.488 1.00 0.00 C ATOM 992 O GLY A 58 15.736 14.016 -6.614 1.00 0.00 O ATOM 0 H GLY A 58 19.241 12.532 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.334 11.783 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.548 13.006 -4.457 1.00 0.00 H new ATOM 996 N ASP A 59 17.820 13.748 -7.418 1.00 0.00 N ATOM 997 CA ASP A 59 17.545 14.441 -8.671 1.00 0.00 C ATOM 998 C ASP A 59 17.279 15.923 -8.425 1.00 0.00 C ATOM 999 O ASP A 59 16.504 16.553 -9.144 1.00 0.00 O ATOM 1000 CB ASP A 59 16.346 13.806 -9.377 1.00 0.00 C ATOM 1001 CG ASP A 59 16.305 12.300 -9.207 1.00 0.00 C ATOM 1002 OD1 ASP A 59 16.958 11.595 -10.004 1.00 0.00 O ATOM 1003 OD2 ASP A 59 15.618 11.827 -8.277 1.00 0.00 O ATOM 0 H ASP A 59 18.776 13.404 -7.328 1.00 0.00 H new ATOM 0 HA ASP A 59 18.424 14.349 -9.309 1.00 0.00 H new ATOM 0 HB2 ASP A 59 15.426 14.238 -8.984 1.00 0.00 H new ATOM 0 HB3 ASP A 59 16.383 14.048 -10.439 1.00 0.00 H new ATOM 1008 N TYR A 60 17.927 16.473 -7.404 1.00 0.00 N ATOM 1009 CA TYR A 60 17.758 17.880 -7.060 1.00 0.00 C ATOM 1010 C TYR A 60 19.089 18.504 -6.652 1.00 0.00 C ATOM 1011 O TYR A 60 19.591 18.264 -5.553 1.00 0.00 O ATOM 1012 CB TYR A 60 16.742 18.032 -5.927 1.00 0.00 C ATOM 1013 CG TYR A 60 16.718 19.415 -5.316 1.00 0.00 C ATOM 1014 CD1 TYR A 60 15.916 20.417 -5.848 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.498 19.719 -4.207 1.00 0.00 C ATOM 1016 CE1 TYR A 60 15.892 21.682 -5.294 1.00 0.00 C ATOM 1017 CE2 TYR A 60 17.478 20.981 -3.645 1.00 0.00 C ATOM 1018 CZ TYR A 60 16.674 21.959 -4.192 1.00 0.00 C ATOM 1019 OH TYR A 60 16.652 23.218 -3.636 1.00 0.00 O ATOM 0 H TYR A 60 18.574 15.966 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 60 17.388 18.402 -7.943 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.748 17.795 -6.307 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.968 17.304 -5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.301 20.203 -6.709 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.130 18.956 -3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 60 15.264 22.450 -5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.089 21.201 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 60 17.258 23.246 -2.866 1.00 0.00 H new ATOM 1029 N HIS A 61 19.656 19.309 -7.545 1.00 0.00 N ATOM 1030 CA HIS A 61 20.929 19.970 -7.279 1.00 0.00 C ATOM 1031 C HIS A 61 20.799 20.952 -6.119 1.00 0.00 C ATOM 1032 O HIS A 61 19.777 21.623 -5.971 1.00 0.00 O ATOM 1033 CB HIS A 61 21.418 20.703 -8.529 1.00 0.00 C ATOM 1034 CG HIS A 61 20.395 21.619 -9.126 1.00 0.00 C ATOM 1035 ND1 HIS A 61 19.422 21.190 -10.004 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.195 22.948 -8.965 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.670 22.216 -10.359 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.117 23.295 -9.742 1.00 0.00 N ATOM 0 H HIS A 61 19.254 19.519 -8.459 1.00 0.00 H new ATOM 0 HA HIS A 61 21.657 19.206 -7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.307 21.281 -8.277 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.717 19.969 -9.277 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.775 23.612 -8.341 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.832 22.179 -11.039 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.725 24.233 -9.828 1.00 0.00 H new ATOM 1046 N VAL A 62 21.840 21.030 -5.296 1.00 0.00 N ATOM 1047 CA VAL A 62 21.842 21.929 -4.148 1.00 0.00 C ATOM 1048 C VAL A 62 22.757 23.125 -4.389 1.00 0.00 C ATOM 1049 O VAL A 62 22.294 24.255 -4.535 1.00 0.00 O ATOM 1050 CB VAL A 62 22.291 21.203 -2.867 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.349 22.172 -1.696 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.361 20.039 -2.561 1.00 0.00 C ATOM 0 H VAL A 62 22.693 20.481 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 62 20.818 22.279 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 62 23.293 20.805 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 62 22.668 21.641 -0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.059 22.969 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.361 22.602 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 62 21.693 19.537 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.346 20.411 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.376 19.333 -3.392 1.00 0.00 H new ATOM 1062 N GLY A 63 24.061 22.867 -4.429 1.00 0.00 N ATOM 1063 CA GLY A 63 25.021 23.932 -4.653 1.00 0.00 C ATOM 1064 C GLY A 63 26.374 23.631 -4.037 1.00 0.00 C ATOM 1065 O GLY A 63 27.086 22.738 -4.493 1.00 0.00 O ATOM 0 H GLY A 63 24.469 21.940 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.140 24.090 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.633 24.861 -4.235 1.00 0.00 H new ATOM 1069 N GLY A 64 26.729 24.382 -2.999 1.00 0.00 N ATOM 1070 CA GLY A 64 28.005 24.177 -2.338 1.00 0.00 C ATOM 1071 C GLY A 64 27.932 23.126 -1.249 1.00 0.00 C ATOM 1072 O GLY A 64 26.852 22.630 -0.927 1.00 0.00 O ATOM 0 H GLY A 64 26.156 25.128 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.749 23.879 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 64 28.343 25.119 -1.907 1.00 0.00 H new ATOM 1076 N CYS A 65 29.083 22.784 -0.681 1.00 0.00 N ATOM 1077 CA CYS A 65 29.145 21.782 0.377 1.00 0.00 C ATOM 1078 C CYS A 65 28.433 22.272 1.633 1.00 0.00 C ATOM 1079 O CYS A 65 27.757 21.502 2.317 1.00 0.00 O ATOM 1080 CB CYS A 65 30.601 21.443 0.702 1.00 0.00 C ATOM 1081 SG CYS A 65 31.618 22.878 1.120 1.00 0.00 S ATOM 0 H CYS A 65 29.986 23.186 -0.935 1.00 0.00 H new ATOM 0 HA CYS A 65 28.640 20.884 0.022 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.622 20.741 1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 65 31.044 20.934 -0.154 1.00 0.00 H new ATOM 0 HG CYS A 65 31.566 23.743 0.151 1.00 0.00 H new ATOM 1087 N ASP A 66 28.589 23.557 1.932 1.00 0.00 N ATOM 1088 CA ASP A 66 27.961 24.151 3.106 1.00 0.00 C ATOM 1089 C ASP A 66 26.467 24.358 2.877 1.00 0.00 C ATOM 1090 O ASP A 66 25.681 24.382 3.825 1.00 0.00 O ATOM 1091 CB ASP A 66 28.627 25.485 3.448 1.00 0.00 C ATOM 1092 CG ASP A 66 28.172 26.609 2.537 1.00 0.00 C ATOM 1093 OD1 ASP A 66 27.090 27.177 2.792 1.00 0.00 O ATOM 1094 OD2 ASP A 66 28.898 26.919 1.570 1.00 0.00 O ATOM 0 H ASP A 66 29.145 24.207 1.377 1.00 0.00 H new ATOM 0 HA ASP A 66 28.090 23.465 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.402 25.746 4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.709 25.377 3.375 1.00 0.00 H new ATOM 1099 N ASP A 67 26.082 24.509 1.615 1.00 0.00 N ATOM 1100 CA ASP A 67 24.683 24.714 1.261 1.00 0.00 C ATOM 1101 C ASP A 67 23.803 23.627 1.869 1.00 0.00 C ATOM 1102 O ASP A 67 22.843 23.918 2.584 1.00 0.00 O ATOM 1103 CB ASP A 67 24.516 24.731 -0.260 1.00 0.00 C ATOM 1104 CG ASP A 67 24.156 26.106 -0.788 1.00 0.00 C ATOM 1105 OD1 ASP A 67 24.549 27.106 -0.152 1.00 0.00 O ATOM 1106 OD2 ASP A 67 23.481 26.181 -1.836 1.00 0.00 O ATOM 0 H ASP A 67 26.720 24.493 0.819 1.00 0.00 H new ATOM 0 HA ASP A 67 24.370 25.677 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.442 24.396 -0.728 1.00 0.00 H new ATOM 0 HB3 ASP A 67 23.740 24.021 -0.545 1.00 0.00 H new ATOM 1111 N LEU A 68 24.136 22.374 1.581 1.00 0.00 N ATOM 1112 CA LEU A 68 23.376 21.241 2.100 1.00 0.00 C ATOM 1113 C LEU A 68 23.298 21.289 3.622 1.00 0.00 C ATOM 1114 O LEU A 68 22.266 20.969 4.212 1.00 0.00 O ATOM 1115 CB LEU A 68 24.014 19.925 1.651 1.00 0.00 C ATOM 1116 CG LEU A 68 25.281 19.505 2.397 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.929 18.667 3.617 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.215 18.738 1.473 1.00 0.00 C ATOM 0 H LEU A 68 24.927 22.116 0.991 1.00 0.00 H new ATOM 0 HA LEU A 68 22.363 21.301 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.274 19.131 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.250 20.002 0.590 1.00 0.00 H new ATOM 0 HG LEU A 68 25.795 20.405 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.843 18.377 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.300 19.250 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.392 17.773 3.301 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.111 18.447 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.710 17.845 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.494 19.371 0.631 1.00 0.00 H new ATOM 1130 N TYR A 69 24.396 21.692 4.253 1.00 0.00 N ATOM 1131 CA TYR A 69 24.452 21.781 5.707 1.00 0.00 C ATOM 1132 C TYR A 69 23.509 22.864 6.224 1.00 0.00 C ATOM 1133 O TYR A 69 22.676 22.613 7.094 1.00 0.00 O ATOM 1134 CB TYR A 69 25.882 22.074 6.166 1.00 0.00 C ATOM 1135 CG TYR A 69 26.502 20.951 6.967 1.00 0.00 C ATOM 1136 CD1 TYR A 69 26.942 19.789 6.346 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.647 21.052 8.345 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.509 18.761 7.073 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.214 20.030 9.081 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.643 18.886 8.441 1.00 0.00 C ATOM 1141 OH TYR A 69 28.207 17.864 9.170 1.00 0.00 O ATOM 0 H TYR A 69 25.259 21.962 3.780 1.00 0.00 H new ATOM 0 HA TYR A 69 24.134 20.822 6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.502 22.271 5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 69 25.883 22.982 6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.839 19.688 5.276 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.310 21.946 8.850 1.00 0.00 H new ATOM 0 HE1 TYR A 69 27.846 17.864 6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.321 20.126 10.151 1.00 0.00 H new ATOM 0 HH TYR A 69 28.228 18.111 10.118 1.00 0.00 H new ATOM 1151 N ALA A 70 23.647 24.068 5.679 1.00 0.00 N ATOM 1152 CA ALA A 70 22.806 25.189 6.081 1.00 0.00 C ATOM 1153 C ALA A 70 21.328 24.828 5.988 1.00 0.00 C ATOM 1154 O ALA A 70 20.576 24.991 6.950 1.00 0.00 O ATOM 1155 CB ALA A 70 23.109 26.410 5.224 1.00 0.00 C ATOM 0 H ALA A 70 24.333 24.292 4.958 1.00 0.00 H new ATOM 0 HA ALA A 70 23.030 25.424 7.121 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.474 27.239 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.156 26.689 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 70 22.915 26.177 4.177 1.00 0.00 H new ATOM 1161 N LEU A 71 20.916 24.338 4.824 1.00 0.00 N ATOM 1162 CA LEU A 71 19.526 23.954 4.604 1.00 0.00 C ATOM 1163 C LEU A 71 19.079 22.917 5.629 1.00 0.00 C ATOM 1164 O LEU A 71 18.015 23.046 6.233 1.00 0.00 O ATOM 1165 CB LEU A 71 19.346 23.401 3.189 1.00 0.00 C ATOM 1166 CG LEU A 71 19.633 24.375 2.046 1.00 0.00 C ATOM 1167 CD1 LEU A 71 20.037 23.620 0.790 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.420 25.253 1.776 1.00 0.00 C ATOM 0 H LEU A 71 21.525 24.197 4.018 1.00 0.00 H new ATOM 0 HA LEU A 71 18.907 24.843 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.997 22.535 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.321 23.045 3.087 1.00 0.00 H new ATOM 0 HG LEU A 71 20.463 25.017 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.237 24.330 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.935 23.035 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.229 22.953 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.643 25.940 0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.571 24.627 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.176 25.822 2.673 1.00 0.00 H new ATOM 1180 N GLU A 72 19.901 21.889 5.820 1.00 0.00 N ATOM 1181 CA GLU A 72 19.590 20.831 6.773 1.00 0.00 C ATOM 1182 C GLU A 72 19.358 21.405 8.168 1.00 0.00 C ATOM 1183 O GLU A 72 18.521 20.912 8.922 1.00 0.00 O ATOM 1184 CB GLU A 72 20.723 19.803 6.815 1.00 0.00 C ATOM 1185 CG GLU A 72 20.546 18.745 7.892 1.00 0.00 C ATOM 1186 CD GLU A 72 21.754 17.838 8.023 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.800 18.310 8.516 1.00 0.00 O ATOM 1188 OE2 GLU A 72 21.653 16.657 7.631 1.00 0.00 O ATOM 0 H GLU A 72 20.786 21.767 5.328 1.00 0.00 H new ATOM 0 HA GLU A 72 18.674 20.339 6.444 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.793 19.313 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.667 20.322 6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.358 19.233 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.667 18.142 7.663 1.00 0.00 H new ATOM 1195 N ASN A 73 20.108 22.450 8.503 1.00 0.00 N ATOM 1196 CA ASN A 73 19.985 23.092 9.807 1.00 0.00 C ATOM 1197 C ASN A 73 18.827 24.085 9.818 1.00 0.00 C ATOM 1198 O ASN A 73 18.283 24.410 10.874 1.00 0.00 O ATOM 1199 CB ASN A 73 21.288 23.807 10.171 1.00 0.00 C ATOM 1200 CG ASN A 73 21.506 23.883 11.670 1.00 0.00 C ATOM 1201 OD1 ASN A 73 21.717 22.865 12.330 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.457 25.093 12.214 1.00 0.00 N ATOM 0 H ASN A 73 20.807 22.870 7.890 1.00 0.00 H new ATOM 0 HA ASN A 73 19.783 22.318 10.548 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.127 23.285 9.711 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.274 24.815 9.757 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.597 25.207 13.218 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.279 25.909 11.628 1.00 0.00 H new ATOM 1209 N LYS A 74 18.453 24.563 8.636 1.00 0.00 N ATOM 1210 CA LYS A 74 17.358 25.517 8.508 1.00 0.00 C ATOM 1211 C LYS A 74 16.008 24.812 8.603 1.00 0.00 C ATOM 1212 O LYS A 74 14.995 25.431 8.925 1.00 0.00 O ATOM 1213 CB LYS A 74 17.461 26.267 7.178 1.00 0.00 C ATOM 1214 CG LYS A 74 18.525 27.351 7.171 1.00 0.00 C ATOM 1215 CD LYS A 74 18.195 28.461 8.155 1.00 0.00 C ATOM 1216 CE LYS A 74 16.872 29.131 7.816 1.00 0.00 C ATOM 1217 NZ LYS A 74 16.673 30.388 8.588 1.00 0.00 N ATOM 0 H LYS A 74 18.893 24.305 7.752 1.00 0.00 H new ATOM 0 HA LYS A 74 17.434 26.231 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.677 25.553 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.495 26.717 6.948 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.492 26.915 7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.615 27.767 6.168 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.149 28.052 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 74 18.993 29.204 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.839 29.351 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.053 28.443 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.760 30.814 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.679 30.175 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.441 31.055 8.370 1.00 0.00 H new ATOM 1231 N GLY A 75 16.003 23.513 8.321 1.00 0.00 N ATOM 1232 CA GLY A 75 14.773 22.745 8.383 1.00 0.00 C ATOM 1233 C GLY A 75 14.606 21.821 7.193 1.00 0.00 C ATOM 1234 O GLY A 75 13.634 21.069 7.112 1.00 0.00 O ATOM 0 H GLY A 75 16.829 22.979 8.051 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.762 22.157 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.924 23.427 8.431 1.00 0.00 H new ATOM 1238 N LYS A 76 15.556 21.876 6.266 1.00 0.00 N ATOM 1239 CA LYS A 76 15.511 21.037 5.074 1.00 0.00 C ATOM 1240 C LYS A 76 16.070 19.648 5.365 1.00 0.00 C ATOM 1241 O LYS A 76 16.174 18.809 4.468 1.00 0.00 O ATOM 1242 CB LYS A 76 16.302 21.688 3.937 1.00 0.00 C ATOM 1243 CG LYS A 76 15.465 21.985 2.705 1.00 0.00 C ATOM 1244 CD LYS A 76 14.331 22.946 3.020 1.00 0.00 C ATOM 1245 CE LYS A 76 13.877 23.698 1.778 1.00 0.00 C ATOM 1246 NZ LYS A 76 12.510 24.265 1.942 1.00 0.00 N ATOM 0 H LYS A 76 16.367 22.493 6.317 1.00 0.00 H new ATOM 0 HA LYS A 76 14.469 20.934 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.743 22.617 4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.126 21.032 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.099 22.411 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.056 21.055 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.490 22.394 3.440 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.656 23.658 3.779 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.580 24.502 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.891 23.025 0.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.237 24.770 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.834 23.495 2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.503 24.927 2.744 1.00 0.00 H new ATOM 1260 N LEU A 77 16.426 19.410 6.622 1.00 0.00 N ATOM 1261 CA LEU A 77 16.972 18.120 7.032 1.00 0.00 C ATOM 1262 C LEU A 77 16.032 16.983 6.645 1.00 0.00 C ATOM 1263 O LEU A 77 16.468 15.947 6.142 1.00 0.00 O ATOM 1264 CB LEU A 77 17.217 18.104 8.541 1.00 0.00 C ATOM 1265 CG LEU A 77 17.401 16.726 9.177 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.482 16.771 10.245 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.088 16.230 9.765 1.00 0.00 C ATOM 0 H LEU A 77 16.347 20.093 7.376 1.00 0.00 H new ATOM 0 HA LEU A 77 17.920 17.974 6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.105 18.700 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.378 18.599 9.030 1.00 0.00 H new ATOM 0 HG LEU A 77 17.715 16.028 8.401 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.599 15.781 10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.425 17.081 9.795 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.198 17.483 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.238 15.248 10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.744 16.928 10.528 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.340 16.158 8.975 1.00 0.00 H new ATOM 1279 N ASP A 78 14.740 17.184 6.882 1.00 0.00 N ATOM 1280 CA ASP A 78 13.737 16.177 6.556 1.00 0.00 C ATOM 1281 C ASP A 78 13.852 15.748 5.096 1.00 0.00 C ATOM 1282 O ASP A 78 13.789 14.559 4.782 1.00 0.00 O ATOM 1283 CB ASP A 78 12.333 16.717 6.832 1.00 0.00 C ATOM 1284 CG ASP A 78 12.187 18.176 6.446 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.185 18.472 5.233 1.00 0.00 O ATOM 1286 OD2 ASP A 78 12.074 19.022 7.358 1.00 0.00 O ATOM 0 H ASP A 78 14.363 18.035 7.299 1.00 0.00 H new ATOM 0 HA ASP A 78 13.914 15.306 7.187 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.604 16.124 6.280 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.104 16.600 7.891 1.00 0.00 H new ATOM 1291 N SER A 79 14.021 16.723 4.209 1.00 0.00 N ATOM 1292 CA SER A 79 14.140 16.447 2.782 1.00 0.00 C ATOM 1293 C SER A 79 15.457 15.741 2.474 1.00 0.00 C ATOM 1294 O SER A 79 15.476 14.685 1.840 1.00 0.00 O ATOM 1295 CB SER A 79 14.045 17.746 1.980 1.00 0.00 C ATOM 1296 OG SER A 79 14.366 17.528 0.617 1.00 0.00 O ATOM 0 H SER A 79 14.079 17.712 4.453 1.00 0.00 H new ATOM 0 HA SER A 79 13.319 15.790 2.494 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.037 18.153 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.722 18.488 2.402 1.00 0.00 H new ATOM 0 HG SER A 79 14.296 18.373 0.125 1.00 0.00 H new ATOM 1302 N LEU A 80 16.558 16.331 2.927 1.00 0.00 N ATOM 1303 CA LEU A 80 17.881 15.760 2.701 1.00 0.00 C ATOM 1304 C LEU A 80 17.943 14.318 3.193 1.00 0.00 C ATOM 1305 O LEU A 80 18.337 13.415 2.453 1.00 0.00 O ATOM 1306 CB LEU A 80 18.947 16.599 3.408 1.00 0.00 C ATOM 1307 CG LEU A 80 19.569 17.727 2.584 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.620 17.177 1.632 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.493 18.482 1.816 1.00 0.00 C ATOM 0 H LEU A 80 16.560 17.205 3.453 1.00 0.00 H new ATOM 0 HA LEU A 80 18.075 15.767 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.504 17.033 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.745 15.934 3.737 1.00 0.00 H new ATOM 0 HG LEU A 80 20.057 18.423 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.051 17.995 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.406 16.683 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.157 16.459 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.954 19.281 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.977 17.796 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.777 18.910 2.518 1.00 0.00 H new ATOM 1321 N LEU A 81 17.550 14.108 4.444 1.00 0.00 N ATOM 1322 CA LEU A 81 17.558 12.774 5.035 1.00 0.00 C ATOM 1323 C LEU A 81 16.670 11.821 4.241 1.00 0.00 C ATOM 1324 O LEU A 81 17.116 10.760 3.806 1.00 0.00 O ATOM 1325 CB LEU A 81 17.087 12.836 6.489 1.00 0.00 C ATOM 1326 CG LEU A 81 18.187 12.949 7.546 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.963 11.645 7.651 1.00 0.00 C ATOM 1328 CD2 LEU A 81 19.122 14.104 7.220 1.00 0.00 C ATOM 0 H LEU A 81 17.222 14.844 5.069 1.00 0.00 H new ATOM 0 HA LEU A 81 18.580 12.397 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.418 13.689 6.597 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.500 11.942 6.698 1.00 0.00 H new ATOM 0 HG LEU A 81 17.719 13.147 8.510 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.741 11.745 8.408 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.285 10.839 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.420 11.415 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.898 14.170 7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.583 13.936 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.556 15.035 7.197 1.00 0.00 H new ATOM 1340 N GLN A 82 15.413 12.209 4.055 1.00 0.00 N ATOM 1341 CA GLN A 82 14.463 11.389 3.312 1.00 0.00 C ATOM 1342 C GLN A 82 14.959 11.133 1.892 1.00 0.00 C ATOM 1343 O GLN A 82 14.551 10.167 1.247 1.00 0.00 O ATOM 1344 CB GLN A 82 13.093 12.069 3.271 1.00 0.00 C ATOM 1345 CG GLN A 82 12.009 11.216 2.631 1.00 0.00 C ATOM 1346 CD GLN A 82 10.612 11.705 2.958 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.775 10.946 3.446 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.353 12.980 2.690 1.00 0.00 N ATOM 0 H GLN A 82 15.029 13.085 4.408 1.00 0.00 H new ATOM 0 HA GLN A 82 14.370 10.431 3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.792 12.322 4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.178 13.006 2.721 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.145 11.214 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.117 10.185 2.968 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.077 13.573 2.285 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.430 13.366 2.889 1.00 0.00 H new ATOM 1357 N ASP A 83 15.839 12.004 1.412 1.00 0.00 N ATOM 1358 CA ASP A 83 16.391 11.872 0.069 1.00 0.00 C ATOM 1359 C ASP A 83 17.534 10.861 0.048 1.00 0.00 C ATOM 1360 O ASP A 83 17.411 9.782 -0.531 1.00 0.00 O ATOM 1361 CB ASP A 83 16.885 13.228 -0.439 1.00 0.00 C ATOM 1362 CG ASP A 83 17.177 13.217 -1.926 1.00 0.00 C ATOM 1363 OD1 ASP A 83 17.615 12.165 -2.437 1.00 0.00 O ATOM 1364 OD2 ASP A 83 16.970 14.261 -2.579 1.00 0.00 O ATOM 0 H ASP A 83 16.186 12.809 1.933 1.00 0.00 H new ATOM 0 HA ASP A 83 15.599 11.513 -0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.134 13.989 -0.225 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.788 13.509 0.104 1.00 0.00 H new ATOM 1369 N VAL A 84 18.645 11.218 0.684 1.00 0.00 N ATOM 1370 CA VAL A 84 19.809 10.342 0.739 1.00 0.00 C ATOM 1371 C VAL A 84 19.422 8.942 1.201 1.00 0.00 C ATOM 1372 O VAL A 84 20.046 7.953 0.812 1.00 0.00 O ATOM 1373 CB VAL A 84 20.889 10.903 1.684 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.353 12.272 1.212 1.00 0.00 C ATOM 1375 CG2 VAL A 84 20.365 10.970 3.110 1.00 0.00 C ATOM 0 H VAL A 84 18.763 12.108 1.168 1.00 0.00 H new ATOM 0 HA VAL A 84 20.213 10.289 -0.272 1.00 0.00 H new ATOM 0 HB VAL A 84 21.747 10.231 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 84 22.116 12.652 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.770 12.189 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.506 12.958 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 84 21.140 11.368 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.491 11.620 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.088 9.970 3.443 1.00 0.00 H new ATOM 1385 N HIS A 85 18.389 8.864 2.034 1.00 0.00 N ATOM 1386 CA HIS A 85 17.918 7.583 2.549 1.00 0.00 C ATOM 1387 C HIS A 85 17.681 6.594 1.411 1.00 0.00 C ATOM 1388 O HIS A 85 18.191 5.473 1.436 1.00 0.00 O ATOM 1389 CB HIS A 85 16.629 7.775 3.349 1.00 0.00 C ATOM 1390 CG HIS A 85 16.101 6.507 3.946 1.00 0.00 C ATOM 1391 ND1 HIS A 85 16.761 5.808 4.935 1.00 0.00 N ATOM 1392 CD2 HIS A 85 14.967 5.812 3.690 1.00 0.00 C ATOM 1393 CE1 HIS A 85 16.057 4.739 5.260 1.00 0.00 C ATOM 1394 NE2 HIS A 85 14.964 4.718 4.519 1.00 0.00 N ATOM 0 H HIS A 85 17.863 9.672 2.367 1.00 0.00 H new ATOM 0 HA HIS A 85 18.688 7.177 3.205 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.810 8.495 4.147 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.868 8.205 2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 85 14.207 6.071 2.968 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.329 4.006 6.005 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.236 4.005 4.557 1.00 0.00 H new TER 1402 HIS A 85