USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 8 SER OG : rot 39:sc= 0.211 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.21! C(o=-3.2!,f=-8.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00831 K(o=-0.0083,f=-0.77) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00251) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= -0.349 USER MOD Single : A 59 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.93! C(o=-5.9!,f=-6.4!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 175:sc= 0 (180deg=-0.0386) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.972 -13.009 9.773 1.00 0.00 N ATOM 2 CA MET A 1 -17.369 -13.214 8.467 1.00 0.00 C ATOM 3 C MET A 1 -16.096 -12.379 8.313 1.00 0.00 C ATOM 4 O MET A 1 -16.107 -11.173 8.558 1.00 0.00 O ATOM 5 CB MET A 1 -18.368 -12.826 7.376 1.00 0.00 C ATOM 6 CG MET A 1 -18.936 -14.068 6.686 1.00 0.00 C ATOM 7 SD MET A 1 -20.511 -14.500 7.406 1.00 0.00 S ATOM 8 CE MET A 1 -21.374 -15.064 5.949 1.00 0.00 C ATOM 0 H1 MET A 1 -18.833 -13.586 9.852 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.298 -13.289 10.514 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.216 -12.005 9.889 1.00 0.00 H new ATOM 0 HA MET A 1 -17.104 -14.267 8.372 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.180 -12.244 7.812 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.879 -12.188 6.640 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.054 -13.879 5.619 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.240 -14.901 6.787 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.383 -15.374 6.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.427 -14.254 5.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.840 -15.909 5.514 1.00 0.00 H new ATOM 18 N SER A 2 -15.029 -13.053 7.910 1.00 0.00 N ATOM 19 CA SER A 2 -13.751 -12.388 7.721 1.00 0.00 C ATOM 20 C SER A 2 -13.850 -11.378 6.577 1.00 0.00 C ATOM 21 O SER A 2 -14.644 -11.556 5.654 1.00 0.00 O ATOM 22 CB SER A 2 -12.639 -13.401 7.440 1.00 0.00 C ATOM 23 OG SER A 2 -12.008 -13.847 8.637 1.00 0.00 O ATOM 0 H SER A 2 -15.023 -14.053 7.709 1.00 0.00 H new ATOM 0 HA SER A 2 -13.501 -11.861 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.054 -14.257 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.894 -12.949 6.784 1.00 0.00 H new ATOM 0 HG SER A 2 -11.306 -14.493 8.415 1.00 0.00 H new ATOM 29 N THR A 3 -13.034 -10.339 6.674 1.00 0.00 N ATOM 30 CA THR A 3 -13.020 -9.300 5.658 1.00 0.00 C ATOM 31 C THR A 3 -12.944 -9.921 4.261 1.00 0.00 C ATOM 32 O THR A 3 -13.844 -9.733 3.445 1.00 0.00 O ATOM 33 CB THR A 3 -11.858 -8.353 5.966 1.00 0.00 C ATOM 34 OG1 THR A 3 -10.698 -9.166 5.814 1.00 0.00 O ATOM 35 CG2 THR A 3 -11.825 -7.926 7.435 1.00 0.00 C ATOM 0 H THR A 3 -12.377 -10.194 7.441 1.00 0.00 H new ATOM 0 HA THR A 3 -13.943 -8.720 5.672 1.00 0.00 H new ATOM 0 HB THR A 3 -11.932 -7.469 5.333 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.897 -8.630 5.994 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.982 -7.255 7.600 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.753 -7.411 7.685 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.717 -8.807 8.068 1.00 0.00 H new ATOM 43 N ASP A 4 -11.861 -10.649 4.031 1.00 0.00 N ATOM 44 CA ASP A 4 -11.656 -11.298 2.747 1.00 0.00 C ATOM 45 C ASP A 4 -11.081 -12.698 2.975 1.00 0.00 C ATOM 46 O ASP A 4 -9.986 -12.843 3.515 1.00 0.00 O ATOM 47 CB ASP A 4 -10.663 -10.515 1.886 1.00 0.00 C ATOM 48 CG ASP A 4 -9.464 -9.939 2.642 1.00 0.00 C ATOM 49 OD1 ASP A 4 -8.945 -10.558 3.582 1.00 0.00 O ATOM 50 OD2 ASP A 4 -9.058 -8.788 2.224 1.00 0.00 O ATOM 0 H ASP A 4 -11.117 -10.804 4.711 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.618 -11.346 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.295 -11.170 1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.194 -9.697 1.400 1.00 0.00 H new ATOM 55 N THR A 5 -11.847 -13.693 2.552 1.00 0.00 N ATOM 56 CA THR A 5 -11.428 -15.076 2.703 1.00 0.00 C ATOM 57 C THR A 5 -10.771 -15.578 1.416 1.00 0.00 C ATOM 58 O THR A 5 -9.635 -16.050 1.438 1.00 0.00 O ATOM 59 CB THR A 5 -12.650 -15.897 3.122 1.00 0.00 C ATOM 60 OG1 THR A 5 -13.618 -15.617 2.115 1.00 0.00 O ATOM 61 CG2 THR A 5 -13.291 -15.378 4.411 1.00 0.00 C ATOM 0 H THR A 5 -12.755 -13.569 2.105 1.00 0.00 H new ATOM 0 HA THR A 5 -10.669 -15.177 3.479 1.00 0.00 H new ATOM 0 HB THR A 5 -12.358 -16.939 3.256 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.442 -16.111 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 5 -14.153 -15.996 4.663 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.564 -15.421 5.222 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.613 -14.347 4.267 1.00 0.00 H new ATOM 69 N GLY A 6 -11.514 -15.459 0.325 1.00 0.00 N ATOM 70 CA GLY A 6 -11.017 -15.895 -0.969 1.00 0.00 C ATOM 71 C GLY A 6 -10.804 -14.703 -1.904 1.00 0.00 C ATOM 72 O GLY A 6 -9.779 -14.027 -1.830 1.00 0.00 O ATOM 0 H GLY A 6 -12.456 -15.067 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.078 -16.433 -0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.724 -16.592 -1.418 1.00 0.00 H new ATOM 76 N VAL A 7 -11.789 -14.482 -2.763 1.00 0.00 N ATOM 77 CA VAL A 7 -11.722 -13.383 -3.711 1.00 0.00 C ATOM 78 C VAL A 7 -13.141 -12.960 -4.095 1.00 0.00 C ATOM 79 O VAL A 7 -13.844 -13.690 -4.793 1.00 0.00 O ATOM 80 CB VAL A 7 -10.871 -13.785 -4.918 1.00 0.00 C ATOM 81 CG1 VAL A 7 -11.539 -14.911 -5.709 1.00 0.00 C ATOM 82 CG2 VAL A 7 -10.588 -12.578 -5.815 1.00 0.00 C ATOM 0 H VAL A 7 -12.637 -15.045 -2.822 1.00 0.00 H new ATOM 0 HA VAL A 7 -11.235 -12.518 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.917 -14.158 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -10.914 -15.178 -6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -11.666 -15.782 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.514 -14.577 -6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.982 -12.891 -6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.530 -12.163 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.051 -11.820 -5.246 1.00 0.00 H new ATOM 92 N SER A 8 -13.521 -11.781 -3.623 1.00 0.00 N ATOM 93 CA SER A 8 -14.844 -11.252 -3.908 1.00 0.00 C ATOM 94 C SER A 8 -14.855 -9.736 -3.703 1.00 0.00 C ATOM 95 O SER A 8 -15.443 -9.239 -2.743 1.00 0.00 O ATOM 96 CB SER A 8 -15.904 -11.914 -3.026 1.00 0.00 C ATOM 97 OG SER A 8 -16.561 -12.987 -3.696 1.00 0.00 O ATOM 0 H SER A 8 -12.936 -11.178 -3.045 1.00 0.00 H new ATOM 0 HA SER A 8 -15.085 -11.475 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 8 -15.436 -12.287 -2.115 1.00 0.00 H new ATOM 0 HB3 SER A 8 -16.641 -11.170 -2.724 1.00 0.00 H new ATOM 0 HG SER A 8 -15.909 -13.487 -4.231 1.00 0.00 H new ATOM 103 N LEU A 9 -14.199 -9.042 -4.621 1.00 0.00 N ATOM 104 CA LEU A 9 -14.126 -7.592 -4.554 1.00 0.00 C ATOM 105 C LEU A 9 -13.991 -7.026 -5.969 1.00 0.00 C ATOM 106 O LEU A 9 -12.881 -6.858 -6.471 1.00 0.00 O ATOM 107 CB LEU A 9 -13.007 -7.155 -3.607 1.00 0.00 C ATOM 108 CG LEU A 9 -13.357 -6.034 -2.626 1.00 0.00 C ATOM 109 CD1 LEU A 9 -14.264 -6.549 -1.507 1.00 0.00 C ATOM 110 CD2 LEU A 9 -12.092 -5.369 -2.079 1.00 0.00 C ATOM 0 H LEU A 9 -13.713 -9.457 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.045 -7.183 -4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.683 -8.024 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.156 -6.833 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 9 -13.915 -5.269 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.498 -5.733 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.187 -6.938 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.754 -7.344 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.369 -4.576 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.486 -6.111 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.518 -4.945 -2.903 1.00 0.00 H new ATOM 122 N PRO A 10 -15.168 -6.740 -6.588 1.00 0.00 N ATOM 123 CA PRO A 10 -15.192 -6.196 -7.935 1.00 0.00 C ATOM 124 C PRO A 10 -14.792 -4.719 -7.938 1.00 0.00 C ATOM 125 O PRO A 10 -15.628 -3.846 -8.165 1.00 0.00 O ATOM 126 CB PRO A 10 -16.611 -6.428 -8.428 1.00 0.00 C ATOM 127 CG PRO A 10 -17.450 -6.668 -7.184 1.00 0.00 C ATOM 128 CD PRO A 10 -16.502 -6.926 -6.024 1.00 0.00 C ATOM 0 HA PRO A 10 -14.471 -6.678 -8.596 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.977 -5.566 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.656 -7.285 -9.101 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.081 -5.803 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -18.115 -7.519 -7.330 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.684 -6.234 -5.202 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.627 -7.933 -5.627 1.00 0.00 H new ATOM 136 N SER A 11 -13.513 -4.485 -7.683 1.00 0.00 N ATOM 137 CA SER A 11 -12.991 -3.130 -7.652 1.00 0.00 C ATOM 138 C SER A 11 -13.472 -2.357 -8.883 1.00 0.00 C ATOM 139 O SER A 11 -14.076 -1.293 -8.755 1.00 0.00 O ATOM 140 CB SER A 11 -11.463 -3.128 -7.588 1.00 0.00 C ATOM 141 OG SER A 11 -10.977 -2.449 -6.434 1.00 0.00 O ATOM 0 H SER A 11 -12.823 -5.212 -7.496 1.00 0.00 H new ATOM 0 HA SER A 11 -13.365 -2.640 -6.753 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.099 -4.155 -7.584 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.063 -2.652 -8.484 1.00 0.00 H new ATOM 0 HG SER A 11 -9.997 -2.472 -6.430 1.00 0.00 H new ATOM 147 N TYR A 12 -13.185 -2.922 -10.046 1.00 0.00 N ATOM 148 CA TYR A 12 -13.580 -2.300 -11.298 1.00 0.00 C ATOM 149 C TYR A 12 -14.151 -3.335 -12.269 1.00 0.00 C ATOM 150 O TYR A 12 -15.274 -3.189 -12.750 1.00 0.00 O ATOM 151 CB TYR A 12 -12.303 -1.707 -11.896 1.00 0.00 C ATOM 152 CG TYR A 12 -12.351 -0.190 -12.088 1.00 0.00 C ATOM 153 CD1 TYR A 12 -13.262 0.366 -12.963 1.00 0.00 C ATOM 154 CD2 TYR A 12 -11.484 0.622 -11.385 1.00 0.00 C ATOM 155 CE1 TYR A 12 -13.307 1.794 -13.143 1.00 0.00 C ATOM 156 CE2 TYR A 12 -11.529 2.050 -11.566 1.00 0.00 C ATOM 157 CZ TYR A 12 -12.439 2.566 -12.436 1.00 0.00 C ATOM 158 OH TYR A 12 -12.482 3.914 -12.606 1.00 0.00 O ATOM 0 H TYR A 12 -12.683 -3.804 -10.148 1.00 0.00 H new ATOM 0 HA TYR A 12 -14.350 -1.548 -11.126 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -11.462 -1.954 -11.248 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -12.112 -2.179 -12.860 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -13.941 -0.270 -13.512 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.772 0.187 -10.699 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -14.015 2.242 -13.825 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.856 2.697 -11.023 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.806 4.337 -12.037 1.00 0.00 H new ATOM 168 N GLU A 13 -13.352 -4.360 -12.529 1.00 0.00 N ATOM 169 CA GLU A 13 -13.763 -5.419 -13.434 1.00 0.00 C ATOM 170 C GLU A 13 -13.875 -6.747 -12.681 1.00 0.00 C ATOM 171 O GLU A 13 -13.028 -7.065 -11.848 1.00 0.00 O ATOM 172 CB GLU A 13 -12.797 -5.538 -14.614 1.00 0.00 C ATOM 173 CG GLU A 13 -13.424 -4.983 -15.894 1.00 0.00 C ATOM 174 CD GLU A 13 -14.198 -6.070 -16.642 1.00 0.00 C ATOM 175 OE1 GLU A 13 -13.474 -7.024 -17.121 1.00 0.00 O ATOM 176 OE2 GLU A 13 -15.431 -5.990 -16.750 1.00 0.00 O ATOM 0 H GLU A 13 -12.422 -4.479 -12.128 1.00 0.00 H new ATOM 0 HA GLU A 13 -14.745 -5.167 -13.835 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.877 -4.997 -14.391 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.525 -6.583 -14.762 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.094 -4.159 -15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.644 -4.578 -16.539 1.00 0.00 H new ATOM 183 N GLU A 14 -14.927 -7.485 -13.002 1.00 0.00 N ATOM 184 CA GLU A 14 -15.161 -8.771 -12.366 1.00 0.00 C ATOM 185 C GLU A 14 -14.169 -9.810 -12.891 1.00 0.00 C ATOM 186 O GLU A 14 -14.114 -10.070 -14.092 1.00 0.00 O ATOM 187 CB GLU A 14 -16.604 -9.233 -12.578 1.00 0.00 C ATOM 188 CG GLU A 14 -17.290 -9.521 -11.242 1.00 0.00 C ATOM 189 CD GLU A 14 -18.788 -9.219 -11.317 1.00 0.00 C ATOM 190 OE1 GLU A 14 -19.458 -9.642 -12.271 1.00 0.00 O ATOM 191 OE2 GLU A 14 -19.253 -8.518 -10.339 1.00 0.00 O ATOM 0 H GLU A 14 -15.627 -7.218 -13.694 1.00 0.00 H new ATOM 0 HA GLU A 14 -15.005 -8.658 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.159 -8.466 -13.118 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -16.615 -10.130 -13.197 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -17.139 -10.566 -10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -16.833 -8.918 -10.457 1.00 0.00 H new ATOM 198 N ASP A 15 -13.410 -10.378 -11.965 1.00 0.00 N ATOM 199 CA ASP A 15 -12.423 -11.383 -12.319 1.00 0.00 C ATOM 200 C ASP A 15 -11.511 -10.832 -13.417 1.00 0.00 C ATOM 201 O ASP A 15 -11.810 -10.968 -14.603 1.00 0.00 O ATOM 202 CB ASP A 15 -13.094 -12.650 -12.853 1.00 0.00 C ATOM 203 CG ASP A 15 -12.331 -13.949 -12.585 1.00 0.00 C ATOM 204 OD1 ASP A 15 -12.498 -14.445 -11.406 1.00 0.00 O ATOM 205 OD2 ASP A 15 -11.615 -14.461 -13.458 1.00 0.00 O ATOM 0 H ASP A 15 -13.459 -10.161 -10.970 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.854 -11.627 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.087 -12.731 -12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.233 -12.543 -13.929 1.00 0.00 H new ATOM 210 N GLN A 16 -10.418 -10.222 -12.984 1.00 0.00 N ATOM 211 CA GLN A 16 -9.461 -9.650 -13.915 1.00 0.00 C ATOM 212 C GLN A 16 -8.283 -9.037 -13.156 1.00 0.00 C ATOM 213 O GLN A 16 -7.127 -9.340 -13.446 1.00 0.00 O ATOM 214 CB GLN A 16 -10.129 -8.614 -14.821 1.00 0.00 C ATOM 215 CG GLN A 16 -9.702 -8.801 -16.278 1.00 0.00 C ATOM 216 CD GLN A 16 -8.185 -8.666 -16.426 1.00 0.00 C ATOM 217 OE1 GLN A 16 -7.486 -8.211 -15.535 1.00 0.00 O ATOM 218 NE2 GLN A 16 -7.716 -9.084 -17.598 1.00 0.00 N ATOM 0 H GLN A 16 -10.174 -10.111 -12.000 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.081 -10.449 -14.551 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.213 -8.702 -14.742 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.865 -7.610 -14.487 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.020 -9.782 -16.631 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.200 -8.061 -16.904 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.356 -9.454 -18.301 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.716 -9.034 -17.794 1.00 0.00 H new ATOM 227 N GLY A 17 -8.617 -8.185 -12.198 1.00 0.00 N ATOM 228 CA GLY A 17 -7.601 -7.526 -11.395 1.00 0.00 C ATOM 229 C GLY A 17 -6.454 -8.484 -11.067 1.00 0.00 C ATOM 230 O GLY A 17 -5.301 -8.217 -11.403 1.00 0.00 O ATOM 0 H GLY A 17 -9.577 -7.936 -11.960 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.214 -6.660 -11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.046 -7.156 -10.471 1.00 0.00 H new ATOM 234 N SER A 18 -6.810 -9.581 -10.414 1.00 0.00 N ATOM 235 CA SER A 18 -5.826 -10.580 -10.037 1.00 0.00 C ATOM 236 C SER A 18 -4.877 -10.848 -11.207 1.00 0.00 C ATOM 237 O SER A 18 -3.659 -10.852 -11.035 1.00 0.00 O ATOM 238 CB SER A 18 -6.501 -11.879 -9.593 1.00 0.00 C ATOM 239 OG SER A 18 -6.834 -11.862 -8.207 1.00 0.00 O ATOM 0 H SER A 18 -7.767 -9.799 -10.137 1.00 0.00 H new ATOM 0 HA SER A 18 -5.253 -10.194 -9.194 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.405 -12.037 -10.181 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.838 -12.720 -9.796 1.00 0.00 H new ATOM 0 HG SER A 18 -7.264 -12.708 -7.964 1.00 0.00 H new ATOM 245 N LYS A 19 -5.472 -11.066 -12.371 1.00 0.00 N ATOM 246 CA LYS A 19 -4.695 -11.334 -13.569 1.00 0.00 C ATOM 247 C LYS A 19 -3.711 -10.186 -13.801 1.00 0.00 C ATOM 248 O LYS A 19 -2.542 -10.418 -14.105 1.00 0.00 O ATOM 249 CB LYS A 19 -5.620 -11.601 -14.758 1.00 0.00 C ATOM 250 CG LYS A 19 -6.448 -12.868 -14.535 1.00 0.00 C ATOM 251 CD LYS A 19 -6.481 -13.731 -15.797 1.00 0.00 C ATOM 252 CE LYS A 19 -7.853 -14.382 -15.981 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.540 -13.819 -17.165 1.00 0.00 N ATOM 0 H LYS A 19 -6.483 -11.062 -12.510 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.103 -12.241 -13.445 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.284 -10.749 -14.905 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.028 -11.704 -15.668 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.027 -13.441 -13.709 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.464 -12.597 -14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.246 -13.118 -16.667 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.714 -14.503 -15.734 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.738 -15.460 -16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.461 -14.221 -15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.470 -14.272 -17.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.667 -12.795 -17.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.967 -13.994 -18.015 1.00 0.00 H new ATOM 267 N LEU A 20 -4.220 -8.972 -13.649 1.00 0.00 N ATOM 268 CA LEU A 20 -3.400 -7.787 -13.839 1.00 0.00 C ATOM 269 C LEU A 20 -2.267 -7.787 -12.811 1.00 0.00 C ATOM 270 O LEU A 20 -1.207 -7.211 -13.051 1.00 0.00 O ATOM 271 CB LEU A 20 -4.265 -6.526 -13.801 1.00 0.00 C ATOM 272 CG LEU A 20 -3.954 -5.467 -14.860 1.00 0.00 C ATOM 273 CD1 LEU A 20 -2.683 -4.692 -14.504 1.00 0.00 C ATOM 274 CD2 LEU A 20 -3.871 -6.093 -16.254 1.00 0.00 C ATOM 0 H LEU A 20 -5.190 -8.783 -13.396 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.936 -7.798 -14.825 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.309 -6.822 -13.907 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.162 -6.068 -12.817 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.775 -4.750 -14.877 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.485 -3.946 -15.273 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.817 -4.196 -13.543 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.841 -5.382 -14.442 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.649 -5.318 -16.988 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.081 -6.844 -16.269 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.824 -6.563 -16.499 1.00 0.00 H new ATOM 286 N ILE A 21 -2.530 -8.439 -11.688 1.00 0.00 N ATOM 287 CA ILE A 21 -1.545 -8.521 -10.622 1.00 0.00 C ATOM 288 C ILE A 21 -0.608 -9.701 -10.890 1.00 0.00 C ATOM 289 O ILE A 21 0.497 -9.755 -10.351 1.00 0.00 O ATOM 290 CB ILE A 21 -2.235 -8.581 -9.258 1.00 0.00 C ATOM 291 CG1 ILE A 21 -3.019 -7.297 -8.983 1.00 0.00 C ATOM 292 CG2 ILE A 21 -1.228 -8.887 -8.147 1.00 0.00 C ATOM 293 CD1 ILE A 21 -4.228 -7.573 -8.086 1.00 0.00 C ATOM 0 H ILE A 21 -3.411 -8.915 -11.493 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.929 -7.622 -10.602 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.954 -9.400 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.368 -6.564 -8.506 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.353 -6.862 -9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.745 -8.924 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.753 -9.849 -8.341 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.468 -8.106 -8.120 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.768 -6.643 -7.906 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.889 -8.287 -8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.889 -7.985 -7.136 1.00 0.00 H new ATOM 305 N ARG A 22 -1.083 -10.616 -11.721 1.00 0.00 N ATOM 306 CA ARG A 22 -0.301 -11.791 -12.067 1.00 0.00 C ATOM 307 C ARG A 22 0.882 -11.399 -12.954 1.00 0.00 C ATOM 308 O ARG A 22 0.762 -11.371 -14.178 1.00 0.00 O ATOM 309 CB ARG A 22 -1.158 -12.827 -12.798 1.00 0.00 C ATOM 310 CG ARG A 22 -0.451 -14.183 -12.852 1.00 0.00 C ATOM 311 CD ARG A 22 -1.443 -15.327 -12.632 1.00 0.00 C ATOM 312 NE ARG A 22 -1.553 -16.145 -13.860 1.00 0.00 N ATOM 313 CZ ARG A 22 -2.411 -17.177 -14.008 1.00 0.00 C ATOM 314 NH1 ARG A 22 -3.242 -17.526 -13.003 1.00 0.00 N ATOM 315 NH2 ARG A 22 -2.425 -17.839 -15.150 1.00 0.00 N ATOM 0 H ARG A 22 -2.000 -10.568 -12.165 1.00 0.00 H new ATOM 0 HA ARG A 22 0.067 -12.230 -11.139 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.118 -12.933 -12.292 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.368 -12.482 -13.810 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.040 -14.303 -13.818 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.329 -14.221 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.115 -15.949 -11.799 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.420 -14.925 -12.364 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.942 -15.915 -14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.225 -17.009 -12.124 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.887 -18.307 -13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.794 -17.568 -15.904 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.067 -18.621 -15.278 1.00 0.00 H new ATOM 329 N LYS A 23 1.998 -11.107 -12.303 1.00 0.00 N ATOM 330 CA LYS A 23 3.202 -10.719 -13.017 1.00 0.00 C ATOM 331 C LYS A 23 4.364 -11.608 -12.571 1.00 0.00 C ATOM 332 O LYS A 23 4.821 -12.464 -13.326 1.00 0.00 O ATOM 333 CB LYS A 23 3.470 -9.223 -12.842 1.00 0.00 C ATOM 334 CG LYS A 23 3.459 -8.502 -14.191 1.00 0.00 C ATOM 335 CD LYS A 23 3.631 -6.992 -14.008 1.00 0.00 C ATOM 336 CE LYS A 23 5.083 -6.573 -14.248 1.00 0.00 C ATOM 337 NZ LYS A 23 5.373 -5.296 -13.559 1.00 0.00 N ATOM 0 H LYS A 23 2.094 -11.131 -11.288 1.00 0.00 H new ATOM 0 HA LYS A 23 3.075 -10.874 -14.089 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.714 -8.789 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.435 -9.077 -12.356 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.260 -8.889 -14.821 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.521 -8.705 -14.708 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.976 -6.461 -14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.328 -6.707 -13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.757 -7.350 -13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.265 -6.466 -15.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.362 -5.025 -13.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.742 -4.554 -13.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.219 -5.410 -12.537 1.00 0.00 H new ATOM 351 N ALA A 24 4.810 -11.374 -11.345 1.00 0.00 N ATOM 352 CA ALA A 24 5.910 -12.143 -10.789 1.00 0.00 C ATOM 353 C ALA A 24 5.367 -13.119 -9.744 1.00 0.00 C ATOM 354 O ALA A 24 4.660 -12.717 -8.821 1.00 0.00 O ATOM 355 CB ALA A 24 6.957 -11.190 -10.208 1.00 0.00 C ATOM 0 H ALA A 24 4.429 -10.662 -10.721 1.00 0.00 H new ATOM 0 HA ALA A 24 6.399 -12.730 -11.566 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.782 -11.767 -9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.332 -10.537 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.503 -10.586 -9.422 1.00 0.00 H new ATOM 361 N LYS A 25 5.719 -14.384 -9.924 1.00 0.00 N ATOM 362 CA LYS A 25 5.275 -15.421 -9.007 1.00 0.00 C ATOM 363 C LYS A 25 5.460 -14.937 -7.568 1.00 0.00 C ATOM 364 O LYS A 25 6.401 -14.202 -7.272 1.00 0.00 O ATOM 365 CB LYS A 25 5.987 -16.742 -9.308 1.00 0.00 C ATOM 366 CG LYS A 25 4.979 -17.849 -9.621 1.00 0.00 C ATOM 367 CD LYS A 25 5.686 -19.106 -10.134 1.00 0.00 C ATOM 368 CE LYS A 25 5.440 -20.293 -9.200 1.00 0.00 C ATOM 369 NZ LYS A 25 5.136 -21.512 -9.982 1.00 0.00 N ATOM 0 H LYS A 25 6.306 -14.714 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 25 4.212 -15.620 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.663 -16.611 -10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.598 -17.033 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.407 -18.089 -8.725 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.267 -17.497 -10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.328 -19.346 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.757 -18.918 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.319 -20.462 -8.578 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.612 -20.069 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.972 -22.308 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.284 -21.352 -10.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.938 -21.733 -10.606 1.00 0.00 H new ATOM 383 N GLU A 26 4.547 -15.369 -6.710 1.00 0.00 N ATOM 384 CA GLU A 26 4.597 -14.989 -5.309 1.00 0.00 C ATOM 385 C GLU A 26 4.246 -13.508 -5.148 1.00 0.00 C ATOM 386 O GLU A 26 3.827 -12.858 -6.104 1.00 0.00 O ATOM 387 CB GLU A 26 5.970 -15.295 -4.707 1.00 0.00 C ATOM 388 CG GLU A 26 5.882 -16.441 -3.696 1.00 0.00 C ATOM 389 CD GLU A 26 7.269 -17.013 -3.394 1.00 0.00 C ATOM 390 OE1 GLU A 26 7.953 -17.496 -4.308 1.00 0.00 O ATOM 391 OE2 GLU A 26 7.630 -16.942 -2.157 1.00 0.00 O ATOM 0 H GLU A 26 3.768 -15.979 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 26 3.859 -15.579 -4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.669 -15.558 -5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.364 -14.404 -4.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.424 -16.083 -2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.238 -17.228 -4.088 1.00 0.00 H new ATOM 398 N ALA A 27 4.430 -13.019 -3.930 1.00 0.00 N ATOM 399 CA ALA A 27 4.138 -11.627 -3.632 1.00 0.00 C ATOM 400 C ALA A 27 5.113 -11.123 -2.566 1.00 0.00 C ATOM 401 O ALA A 27 4.736 -10.941 -1.410 1.00 0.00 O ATOM 402 CB ALA A 27 2.678 -11.494 -3.194 1.00 0.00 C ATOM 0 H ALA A 27 4.777 -13.561 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 27 4.270 -11.009 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.459 -10.450 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.025 -11.838 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.509 -12.099 -2.303 1.00 0.00 H new ATOM 408 N PRO A 28 6.382 -10.906 -3.005 1.00 0.00 N ATOM 409 CA PRO A 28 7.415 -10.426 -2.103 1.00 0.00 C ATOM 410 C PRO A 28 7.229 -8.938 -1.798 1.00 0.00 C ATOM 411 O PRO A 28 6.261 -8.325 -2.246 1.00 0.00 O ATOM 412 CB PRO A 28 8.726 -10.728 -2.809 1.00 0.00 C ATOM 413 CG PRO A 28 8.372 -10.938 -4.273 1.00 0.00 C ATOM 414 CD PRO A 28 6.865 -11.110 -4.368 1.00 0.00 C ATOM 0 HA PRO A 28 7.382 -10.913 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.431 -9.905 -2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.200 -11.616 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.697 -10.086 -4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 28 8.882 -11.817 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.427 -10.387 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 28 6.602 -12.101 -4.737 1.00 0.00 H new ATOM 422 N PHE A 29 8.171 -8.401 -1.037 1.00 0.00 N ATOM 423 CA PHE A 29 8.123 -6.996 -0.666 1.00 0.00 C ATOM 424 C PHE A 29 8.879 -6.136 -1.680 1.00 0.00 C ATOM 425 O PHE A 29 8.706 -4.919 -1.719 1.00 0.00 O ATOM 426 CB PHE A 29 8.801 -6.871 0.699 1.00 0.00 C ATOM 427 CG PHE A 29 9.074 -5.427 1.127 1.00 0.00 C ATOM 428 CD1 PHE A 29 10.117 -4.743 0.585 1.00 0.00 C ATOM 429 CD2 PHE A 29 8.275 -4.829 2.051 1.00 0.00 C ATOM 430 CE1 PHE A 29 10.370 -3.403 0.983 1.00 0.00 C ATOM 431 CE2 PHE A 29 8.528 -3.490 2.448 1.00 0.00 C ATOM 432 CZ PHE A 29 9.571 -2.805 1.906 1.00 0.00 C ATOM 0 H PHE A 29 8.972 -8.913 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 29 7.089 -6.653 -0.639 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.173 -7.350 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 29 9.744 -7.417 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.753 -5.218 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.448 -5.373 2.483 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.198 -2.859 0.552 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.892 -3.015 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.764 -1.787 2.209 1.00 0.00 H new ATOM 442 N VAL A 30 9.703 -6.802 -2.476 1.00 0.00 N ATOM 443 CA VAL A 30 10.487 -6.113 -3.487 1.00 0.00 C ATOM 444 C VAL A 30 9.573 -5.184 -4.289 1.00 0.00 C ATOM 445 O VAL A 30 9.866 -3.999 -4.441 1.00 0.00 O ATOM 446 CB VAL A 30 11.222 -7.131 -4.362 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.131 -6.749 -5.841 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.680 -7.280 -3.923 1.00 0.00 C ATOM 0 H VAL A 30 9.845 -7.812 -2.441 1.00 0.00 H new ATOM 0 HA VAL A 30 11.252 -5.493 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 30 10.734 -8.097 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.661 -7.488 -6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.085 -6.718 -6.145 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.582 -5.768 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 30 13.179 -8.009 -4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 30 13.185 -6.318 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.715 -7.619 -2.888 1.00 0.00 H new ATOM 458 N PRO A 31 8.456 -5.773 -4.795 1.00 0.00 N ATOM 459 CA PRO A 31 7.498 -5.011 -5.578 1.00 0.00 C ATOM 460 C PRO A 31 6.655 -4.103 -4.680 1.00 0.00 C ATOM 461 O PRO A 31 6.028 -3.159 -5.159 1.00 0.00 O ATOM 462 CB PRO A 31 6.671 -6.054 -6.311 1.00 0.00 C ATOM 463 CG PRO A 31 6.886 -7.359 -5.561 1.00 0.00 C ATOM 464 CD PRO A 31 8.077 -7.174 -4.635 1.00 0.00 C ATOM 0 HA PRO A 31 7.977 -4.333 -6.285 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.616 -5.779 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.988 -6.144 -7.350 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.996 -7.622 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.069 -8.175 -6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.813 -7.397 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.897 -7.840 -4.906 1.00 0.00 H new ATOM 472 N VAL A 32 6.667 -4.420 -3.393 1.00 0.00 N ATOM 473 CA VAL A 32 5.912 -3.644 -2.424 1.00 0.00 C ATOM 474 C VAL A 32 6.608 -2.300 -2.200 1.00 0.00 C ATOM 475 O VAL A 32 5.953 -1.261 -2.140 1.00 0.00 O ATOM 476 CB VAL A 32 5.734 -4.448 -1.135 1.00 0.00 C ATOM 477 CG1 VAL A 32 5.059 -3.605 -0.052 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.951 -5.736 -1.395 1.00 0.00 C ATOM 0 H VAL A 32 7.188 -5.204 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 32 4.911 -3.433 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 32 6.724 -4.726 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.944 -4.200 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.673 -2.731 0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.078 -3.282 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.839 -6.288 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.966 -5.489 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.489 -6.350 -2.117 1.00 0.00 H new ATOM 488 N GLY A 33 7.926 -2.365 -2.081 1.00 0.00 N ATOM 489 CA GLY A 33 8.717 -1.166 -1.864 1.00 0.00 C ATOM 490 C GLY A 33 8.855 -0.358 -3.156 1.00 0.00 C ATOM 491 O GLY A 33 8.660 0.856 -3.158 1.00 0.00 O ATOM 0 H GLY A 33 8.466 -3.229 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.249 -0.552 -1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.705 -1.440 -1.495 1.00 0.00 H new ATOM 495 N ILE A 34 9.190 -1.066 -4.226 1.00 0.00 N ATOM 496 CA ILE A 34 9.356 -0.430 -5.521 1.00 0.00 C ATOM 497 C ILE A 34 8.032 0.209 -5.944 1.00 0.00 C ATOM 498 O ILE A 34 7.962 1.419 -6.156 1.00 0.00 O ATOM 499 CB ILE A 34 9.910 -1.428 -6.541 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.383 -1.735 -6.262 1.00 0.00 C ATOM 501 CG2 ILE A 34 9.688 -0.932 -7.971 1.00 0.00 C ATOM 502 CD1 ILE A 34 11.902 -2.828 -7.199 1.00 0.00 C ATOM 0 H ILE A 34 9.351 -2.073 -4.222 1.00 0.00 H new ATOM 0 HA ILE A 34 10.093 0.371 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 34 9.360 -2.364 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.977 -0.830 -6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.502 -2.052 -5.226 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.091 -1.660 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.620 -0.806 -8.151 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.194 0.024 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 34 12.951 -3.027 -6.980 1.00 0.00 H new ATOM 0 HD12 ILE A 34 11.321 -3.739 -7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.804 -2.498 -8.233 1.00 0.00 H new ATOM 514 N ALA A 35 7.014 -0.632 -6.055 1.00 0.00 N ATOM 515 CA ALA A 35 5.696 -0.163 -6.449 1.00 0.00 C ATOM 516 C ALA A 35 5.164 0.802 -5.388 1.00 0.00 C ATOM 517 O ALA A 35 4.872 1.959 -5.686 1.00 0.00 O ATOM 518 CB ALA A 35 4.770 -1.363 -6.662 1.00 0.00 C ATOM 0 H ALA A 35 7.075 -1.635 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 35 5.748 0.381 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.781 -1.012 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.177 -2.002 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.691 -1.931 -5.735 1.00 0.00 H new ATOM 524 N GLY A 36 5.055 0.291 -4.170 1.00 0.00 N ATOM 525 CA GLY A 36 4.563 1.093 -3.063 1.00 0.00 C ATOM 526 C GLY A 36 5.063 2.535 -3.167 1.00 0.00 C ATOM 527 O GLY A 36 4.284 3.477 -3.034 1.00 0.00 O ATOM 0 H GLY A 36 5.299 -0.669 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.473 1.082 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.891 0.657 -2.119 1.00 0.00 H new ATOM 531 N PHE A 37 6.361 2.662 -3.403 1.00 0.00 N ATOM 532 CA PHE A 37 6.974 3.974 -3.526 1.00 0.00 C ATOM 533 C PHE A 37 6.440 4.716 -4.753 1.00 0.00 C ATOM 534 O PHE A 37 5.976 5.850 -4.643 1.00 0.00 O ATOM 535 CB PHE A 37 8.478 3.750 -3.695 1.00 0.00 C ATOM 536 CG PHE A 37 9.314 5.026 -3.576 1.00 0.00 C ATOM 537 CD1 PHE A 37 9.579 5.771 -4.683 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.792 5.415 -2.364 1.00 0.00 C ATOM 539 CE1 PHE A 37 10.355 6.955 -4.572 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.568 6.599 -2.254 1.00 0.00 C ATOM 541 CZ PHE A 37 10.833 7.345 -3.360 1.00 0.00 C ATOM 0 H PHE A 37 7.005 1.878 -3.512 1.00 0.00 H new ATOM 0 HA PHE A 37 6.748 4.575 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.815 3.035 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.660 3.298 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 37 9.199 5.462 -5.646 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.581 4.824 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 37 10.566 7.546 -5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.948 6.907 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 37 11.422 8.246 -3.276 1.00 0.00 H new ATOM 551 N ALA A 38 6.522 4.046 -5.893 1.00 0.00 N ATOM 552 CA ALA A 38 6.053 4.628 -7.139 1.00 0.00 C ATOM 553 C ALA A 38 4.627 5.149 -6.948 1.00 0.00 C ATOM 554 O ALA A 38 4.370 6.340 -7.117 1.00 0.00 O ATOM 555 CB ALA A 38 6.149 3.587 -8.256 1.00 0.00 C ATOM 0 H ALA A 38 6.906 3.105 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 38 6.677 5.474 -7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.797 4.023 -9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.186 3.271 -8.371 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.532 2.724 -8.003 1.00 0.00 H new ATOM 561 N ALA A 39 3.738 4.231 -6.598 1.00 0.00 N ATOM 562 CA ALA A 39 2.345 4.583 -6.382 1.00 0.00 C ATOM 563 C ALA A 39 2.263 5.731 -5.374 1.00 0.00 C ATOM 564 O ALA A 39 1.734 6.798 -5.684 1.00 0.00 O ATOM 565 CB ALA A 39 1.571 3.347 -5.921 1.00 0.00 C ATOM 0 H ALA A 39 3.955 3.244 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 39 1.888 4.926 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.526 3.612 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.635 2.572 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.000 2.976 -4.990 1.00 0.00 H new ATOM 571 N ILE A 40 2.795 5.474 -4.189 1.00 0.00 N ATOM 572 CA ILE A 40 2.789 6.473 -3.133 1.00 0.00 C ATOM 573 C ILE A 40 3.088 7.847 -3.736 1.00 0.00 C ATOM 574 O ILE A 40 2.398 8.822 -3.442 1.00 0.00 O ATOM 575 CB ILE A 40 3.748 6.072 -2.011 1.00 0.00 C ATOM 576 CG1 ILE A 40 3.090 5.071 -1.059 1.00 0.00 C ATOM 577 CG2 ILE A 40 4.275 7.304 -1.273 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.892 5.701 -0.344 1.00 0.00 C ATOM 0 H ILE A 40 3.233 4.588 -3.936 1.00 0.00 H new ATOM 0 HA ILE A 40 1.803 6.534 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 40 4.608 5.573 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.765 4.193 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.819 4.730 -0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.954 6.990 -0.480 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.807 7.948 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.440 7.853 -0.838 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.442 4.969 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.225 6.564 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.155 6.019 -1.081 1.00 0.00 H new ATOM 590 N VAL A 41 4.119 7.881 -4.568 1.00 0.00 N ATOM 591 CA VAL A 41 4.518 9.120 -5.215 1.00 0.00 C ATOM 592 C VAL A 41 3.366 9.631 -6.083 1.00 0.00 C ATOM 593 O VAL A 41 3.018 10.810 -6.027 1.00 0.00 O ATOM 594 CB VAL A 41 5.811 8.905 -6.004 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.152 10.138 -6.843 1.00 0.00 C ATOM 596 CG2 VAL A 41 6.968 8.540 -5.071 1.00 0.00 C ATOM 0 H VAL A 41 4.690 7.071 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 41 4.730 9.888 -4.471 1.00 0.00 H new ATOM 0 HB VAL A 41 5.653 8.069 -6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.075 9.959 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.342 10.335 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.282 10.999 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.875 8.393 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.126 9.346 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.728 7.621 -4.536 1.00 0.00 H new ATOM 606 N ALA A 42 2.806 8.719 -6.864 1.00 0.00 N ATOM 607 CA ALA A 42 1.701 9.063 -7.742 1.00 0.00 C ATOM 608 C ALA A 42 0.574 9.687 -6.917 1.00 0.00 C ATOM 609 O ALA A 42 0.189 10.832 -7.151 1.00 0.00 O ATOM 610 CB ALA A 42 1.245 7.816 -8.502 1.00 0.00 C ATOM 0 H ALA A 42 3.097 7.742 -6.907 1.00 0.00 H new ATOM 0 HA ALA A 42 2.014 9.799 -8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.416 8.074 -9.161 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.073 7.429 -9.096 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.921 7.055 -7.792 1.00 0.00 H new ATOM 616 N TYR A 43 0.078 8.908 -5.967 1.00 0.00 N ATOM 617 CA TYR A 43 -0.997 9.370 -5.106 1.00 0.00 C ATOM 618 C TYR A 43 -0.717 10.783 -4.589 1.00 0.00 C ATOM 619 O TYR A 43 -1.495 11.703 -4.836 1.00 0.00 O ATOM 620 CB TYR A 43 -1.032 8.404 -3.920 1.00 0.00 C ATOM 621 CG TYR A 43 -1.962 7.206 -4.120 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.278 7.407 -4.482 1.00 0.00 C ATOM 623 CD2 TYR A 43 -1.484 5.924 -3.938 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.153 6.279 -4.670 1.00 0.00 C ATOM 625 CE2 TYR A 43 -2.359 4.796 -4.127 1.00 0.00 C ATOM 626 CZ TYR A 43 -3.651 5.029 -4.483 1.00 0.00 C ATOM 627 OH TYR A 43 -4.478 3.964 -4.661 1.00 0.00 O ATOM 0 H TYR A 43 0.401 7.960 -5.775 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.940 9.397 -5.651 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.022 8.039 -3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.345 8.949 -3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.652 8.410 -4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.454 5.767 -3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.185 6.422 -4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -1.998 3.788 -3.989 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.983 3.134 -4.495 1.00 0.00 H new ATOM 637 N GLY A 44 0.396 10.910 -3.882 1.00 0.00 N ATOM 638 CA GLY A 44 0.788 12.195 -3.329 1.00 0.00 C ATOM 639 C GLY A 44 0.725 13.293 -4.393 1.00 0.00 C ATOM 640 O GLY A 44 0.151 14.355 -4.161 1.00 0.00 O ATOM 0 H GLY A 44 1.039 10.144 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.132 12.452 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.800 12.129 -2.929 1.00 0.00 H new ATOM 644 N LEU A 45 1.322 12.997 -5.538 1.00 0.00 N ATOM 645 CA LEU A 45 1.341 13.946 -6.639 1.00 0.00 C ATOM 646 C LEU A 45 -0.090 14.390 -6.948 1.00 0.00 C ATOM 647 O LEU A 45 -0.363 15.585 -7.058 1.00 0.00 O ATOM 648 CB LEU A 45 2.075 13.354 -7.844 1.00 0.00 C ATOM 649 CG LEU A 45 2.840 14.349 -8.719 1.00 0.00 C ATOM 650 CD1 LEU A 45 4.351 14.178 -8.550 1.00 0.00 C ATOM 651 CD2 LEU A 45 2.410 14.236 -10.183 1.00 0.00 C ATOM 0 H LEU A 45 1.796 12.114 -5.728 1.00 0.00 H new ATOM 0 HA LEU A 45 1.900 14.840 -6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.778 12.603 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.347 12.836 -8.469 1.00 0.00 H new ATOM 0 HG LEU A 45 2.591 15.357 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.872 14.897 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.622 14.348 -7.508 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.637 13.167 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.969 14.954 -10.783 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.610 13.227 -10.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.344 14.446 -10.266 1.00 0.00 H new ATOM 663 N TYR A 46 -0.966 13.405 -7.079 1.00 0.00 N ATOM 664 CA TYR A 46 -2.363 13.680 -7.373 1.00 0.00 C ATOM 665 C TYR A 46 -3.046 14.371 -6.191 1.00 0.00 C ATOM 666 O TYR A 46 -3.693 15.403 -6.361 1.00 0.00 O ATOM 667 CB TYR A 46 -3.021 12.318 -7.602 1.00 0.00 C ATOM 668 CG TYR A 46 -2.992 11.850 -9.058 1.00 0.00 C ATOM 669 CD1 TYR A 46 -1.792 11.775 -9.735 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.167 11.504 -9.695 1.00 0.00 C ATOM 671 CE1 TYR A 46 -1.765 11.334 -11.106 1.00 0.00 C ATOM 672 CE2 TYR A 46 -4.140 11.063 -11.066 1.00 0.00 C ATOM 673 CZ TYR A 46 -2.940 11.000 -11.704 1.00 0.00 C ATOM 674 OH TYR A 46 -2.915 10.584 -12.998 1.00 0.00 O ATOM 0 H TYR A 46 -0.736 12.416 -6.987 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.451 14.338 -8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.519 11.575 -6.982 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.057 12.366 -7.267 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.873 12.047 -9.237 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.106 11.564 -9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.832 11.270 -11.647 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.052 10.789 -11.576 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.827 10.378 -13.293 1.00 0.00 H new ATOM 684 N LYS A 47 -2.879 13.774 -5.020 1.00 0.00 N ATOM 685 CA LYS A 47 -3.472 14.319 -3.811 1.00 0.00 C ATOM 686 C LYS A 47 -3.131 15.807 -3.707 1.00 0.00 C ATOM 687 O LYS A 47 -4.009 16.633 -3.460 1.00 0.00 O ATOM 688 CB LYS A 47 -3.043 13.503 -2.589 1.00 0.00 C ATOM 689 CG LYS A 47 -4.260 12.951 -1.844 1.00 0.00 C ATOM 690 CD LYS A 47 -3.840 11.905 -0.809 1.00 0.00 C ATOM 691 CE LYS A 47 -4.121 10.489 -1.315 1.00 0.00 C ATOM 692 NZ LYS A 47 -4.644 9.641 -0.221 1.00 0.00 N ATOM 0 H LYS A 47 -2.341 12.918 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.559 14.242 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.401 12.680 -2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.454 14.128 -1.918 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.789 13.766 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.955 12.505 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.778 12.012 -0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.378 12.075 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.842 10.525 -2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.207 10.052 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.829 8.683 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.943 9.592 0.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.528 10.050 0.143 1.00 0.00 H new ATOM 706 N LEU A 48 -1.854 16.104 -3.901 1.00 0.00 N ATOM 707 CA LEU A 48 -1.387 17.478 -3.833 1.00 0.00 C ATOM 708 C LEU A 48 -2.410 18.394 -4.507 1.00 0.00 C ATOM 709 O LEU A 48 -3.041 19.218 -3.847 1.00 0.00 O ATOM 710 CB LEU A 48 0.022 17.594 -4.416 1.00 0.00 C ATOM 711 CG LEU A 48 1.032 18.384 -3.581 1.00 0.00 C ATOM 712 CD1 LEU A 48 2.294 17.560 -3.321 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.351 19.730 -4.235 1.00 0.00 C ATOM 0 H LEU A 48 -1.129 15.416 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.305 17.802 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.414 16.589 -4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.050 18.060 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 48 0.581 18.596 -2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.995 18.145 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.030 16.651 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.758 17.296 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.071 20.271 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.773 19.562 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.437 20.317 -4.324 1.00 0.00 H new ATOM 725 N LYS A 49 -2.541 18.220 -5.814 1.00 0.00 N ATOM 726 CA LYS A 49 -3.476 19.021 -6.586 1.00 0.00 C ATOM 727 C LYS A 49 -4.818 19.076 -5.854 1.00 0.00 C ATOM 728 O LYS A 49 -5.314 18.054 -5.382 1.00 0.00 O ATOM 729 CB LYS A 49 -3.578 18.494 -8.019 1.00 0.00 C ATOM 730 CG LYS A 49 -3.914 19.623 -8.995 1.00 0.00 C ATOM 731 CD LYS A 49 -4.511 19.068 -10.290 1.00 0.00 C ATOM 732 CE LYS A 49 -3.410 18.622 -11.254 1.00 0.00 C ATOM 733 NZ LYS A 49 -3.760 18.988 -12.645 1.00 0.00 N ATOM 0 H LYS A 49 -2.015 17.536 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.117 20.047 -6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.636 18.028 -8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.345 17.722 -8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.620 20.312 -8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.013 20.194 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.163 18.225 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.129 19.830 -10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.464 19.088 -10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.268 17.544 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.002 18.678 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.651 18.524 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.872 20.020 -12.715 1.00 0.00 H new ATOM 747 N SER A 50 -5.368 20.280 -5.783 1.00 0.00 N ATOM 748 CA SER A 50 -6.644 20.481 -5.116 1.00 0.00 C ATOM 749 C SER A 50 -7.732 20.783 -6.149 1.00 0.00 C ATOM 750 O SER A 50 -8.013 21.945 -6.437 1.00 0.00 O ATOM 751 CB SER A 50 -6.557 21.613 -4.091 1.00 0.00 C ATOM 752 OG SER A 50 -7.087 21.229 -2.825 1.00 0.00 O ATOM 0 H SER A 50 -4.954 21.125 -6.176 1.00 0.00 H new ATOM 0 HA SER A 50 -6.900 19.565 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.516 21.915 -3.972 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.100 22.482 -4.463 1.00 0.00 H new ATOM 0 HG SER A 50 -7.012 21.978 -2.198 1.00 0.00 H new ATOM 758 N ARG A 51 -8.314 19.717 -6.677 1.00 0.00 N ATOM 759 CA ARG A 51 -9.365 19.853 -7.672 1.00 0.00 C ATOM 760 C ARG A 51 -9.812 18.475 -8.163 1.00 0.00 C ATOM 761 O ARG A 51 -9.320 17.984 -9.178 1.00 0.00 O ATOM 762 CB ARG A 51 -8.889 20.683 -8.866 1.00 0.00 C ATOM 763 CG ARG A 51 -9.818 21.874 -9.111 1.00 0.00 C ATOM 764 CD ARG A 51 -11.034 21.458 -9.941 1.00 0.00 C ATOM 765 NE ARG A 51 -11.378 22.527 -10.905 1.00 0.00 N ATOM 766 CZ ARG A 51 -12.384 22.442 -11.802 1.00 0.00 C ATOM 767 NH1 ARG A 51 -13.154 21.336 -11.865 1.00 0.00 N ATOM 768 NH2 ARG A 51 -12.602 23.458 -12.616 1.00 0.00 N ATOM 0 H ARG A 51 -8.078 18.755 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.204 20.364 -7.200 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.875 21.039 -8.685 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.852 20.057 -9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.148 22.285 -8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.274 22.664 -9.628 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.821 20.531 -10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.882 21.261 -9.285 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.821 23.381 -10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.978 20.556 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.912 21.280 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.015 24.290 -12.561 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.358 23.411 -13.300 1.00 0.00 H new ATOM 782 N GLY A 52 -10.741 17.891 -7.421 1.00 0.00 N ATOM 783 CA GLY A 52 -11.261 16.579 -7.769 1.00 0.00 C ATOM 784 C GLY A 52 -11.511 15.738 -6.515 1.00 0.00 C ATOM 785 O GLY A 52 -11.807 16.279 -5.450 1.00 0.00 O ATOM 0 H GLY A 52 -11.147 18.302 -6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.190 16.689 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.555 16.065 -8.421 1.00 0.00 H new ATOM 789 N ASN A 53 -11.384 14.431 -6.683 1.00 0.00 N ATOM 790 CA ASN A 53 -11.593 13.510 -5.578 1.00 0.00 C ATOM 791 C ASN A 53 -10.628 13.855 -4.443 1.00 0.00 C ATOM 792 O ASN A 53 -9.415 13.704 -4.587 1.00 0.00 O ATOM 793 CB ASN A 53 -11.323 12.066 -6.006 1.00 0.00 C ATOM 794 CG ASN A 53 -12.610 11.383 -6.475 1.00 0.00 C ATOM 795 OD1 ASN A 53 -13.575 12.020 -6.864 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.570 10.055 -6.416 1.00 0.00 N ATOM 0 H ASN A 53 -11.139 13.987 -7.568 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.630 13.602 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.587 12.053 -6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.895 11.510 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.380 9.507 -6.707 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.730 9.585 -6.080 1.00 0.00 H new ATOM 803 N THR A 54 -11.201 14.313 -3.340 1.00 0.00 N ATOM 804 CA THR A 54 -10.406 14.681 -2.180 1.00 0.00 C ATOM 805 C THR A 54 -10.381 13.535 -1.166 1.00 0.00 C ATOM 806 O THR A 54 -11.324 12.750 -1.087 1.00 0.00 O ATOM 807 CB THR A 54 -10.974 15.983 -1.612 1.00 0.00 C ATOM 808 OG1 THR A 54 -10.043 16.354 -0.599 1.00 0.00 O ATOM 809 CG2 THR A 54 -12.285 15.768 -0.853 1.00 0.00 C ATOM 0 H THR A 54 -12.207 14.438 -3.225 1.00 0.00 H new ATOM 0 HA THR A 54 -9.365 14.855 -2.452 1.00 0.00 H new ATOM 0 HB THR A 54 -11.137 16.693 -2.423 1.00 0.00 H new ATOM 0 HG1 THR A 54 -10.333 17.190 -0.179 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.645 16.723 -0.471 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.030 15.343 -1.526 1.00 0.00 H new ATOM 0 HG23 THR A 54 -12.116 15.085 -0.021 1.00 0.00 H new ATOM 817 N LYS A 55 -9.290 13.476 -0.416 1.00 0.00 N ATOM 818 CA LYS A 55 -9.129 12.440 0.590 1.00 0.00 C ATOM 819 C LYS A 55 -7.862 12.716 1.401 1.00 0.00 C ATOM 820 O LYS A 55 -6.757 12.690 0.861 1.00 0.00 O ATOM 821 CB LYS A 55 -9.155 11.055 -0.059 1.00 0.00 C ATOM 822 CG LYS A 55 -9.785 10.022 0.878 1.00 0.00 C ATOM 823 CD LYS A 55 -9.531 8.599 0.377 1.00 0.00 C ATOM 824 CE LYS A 55 -10.503 7.609 1.020 1.00 0.00 C ATOM 825 NZ LYS A 55 -10.221 7.471 2.466 1.00 0.00 N ATOM 0 H LYS A 55 -8.509 14.129 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.965 12.454 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.718 11.097 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.140 10.749 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.374 10.137 1.881 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.858 10.199 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.638 8.567 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.506 8.307 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.528 7.950 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.418 6.638 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.868 6.770 2.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.239 7.157 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.358 8.389 2.936 1.00 0.00 H new ATOM 839 N MET A 56 -8.063 12.973 2.685 1.00 0.00 N ATOM 840 CA MET A 56 -6.950 13.252 3.576 1.00 0.00 C ATOM 841 C MET A 56 -6.341 14.624 3.278 1.00 0.00 C ATOM 842 O MET A 56 -5.446 14.741 2.442 1.00 0.00 O ATOM 843 CB MET A 56 -5.880 12.171 3.412 1.00 0.00 C ATOM 844 CG MET A 56 -5.188 11.877 4.744 1.00 0.00 C ATOM 845 SD MET A 56 -5.963 10.480 5.539 1.00 0.00 S ATOM 846 CE MET A 56 -5.903 11.018 7.240 1.00 0.00 C ATOM 0 H MET A 56 -8.981 12.994 3.130 1.00 0.00 H new ATOM 0 HA MET A 56 -7.321 13.254 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.336 11.259 3.026 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.142 12.494 2.678 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.131 11.670 4.576 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.243 12.751 5.392 1.00 0.00 H new ATOM 0 HE1 MET A 56 -6.350 10.256 7.879 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.866 11.176 7.535 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.457 11.951 7.346 1.00 0.00 H new ATOM 856 N SER A 57 -6.849 15.627 3.979 1.00 0.00 N ATOM 857 CA SER A 57 -6.366 16.985 3.800 1.00 0.00 C ATOM 858 C SER A 57 -4.960 17.122 4.388 1.00 0.00 C ATOM 859 O SER A 57 -4.048 17.607 3.719 1.00 0.00 O ATOM 860 CB SER A 57 -7.313 17.997 4.449 1.00 0.00 C ATOM 861 OG SER A 57 -7.070 18.136 5.846 1.00 0.00 O ATOM 0 H SER A 57 -7.590 15.526 4.672 1.00 0.00 H new ATOM 0 HA SER A 57 -6.329 17.196 2.731 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.197 18.966 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.344 17.682 4.290 1.00 0.00 H new ATOM 0 HG SER A 57 -7.693 18.792 6.223 1.00 0.00 H new ATOM 867 N ILE A 58 -4.828 16.687 5.632 1.00 0.00 N ATOM 868 CA ILE A 58 -3.548 16.755 6.317 1.00 0.00 C ATOM 869 C ILE A 58 -2.884 18.100 6.015 1.00 0.00 C ATOM 870 O ILE A 58 -1.793 18.144 5.449 1.00 0.00 O ATOM 871 CB ILE A 58 -2.682 15.546 5.956 1.00 0.00 C ATOM 872 CG1 ILE A 58 -1.371 15.556 6.745 1.00 0.00 C ATOM 873 CG2 ILE A 58 -2.442 15.476 4.446 1.00 0.00 C ATOM 874 CD1 ILE A 58 -1.468 14.658 7.980 1.00 0.00 C ATOM 0 H ILE A 58 -5.586 16.286 6.184 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.690 16.705 7.397 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.221 14.642 6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.556 15.216 6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.133 16.575 7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.824 14.608 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.398 15.388 3.929 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.933 16.382 4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.523 14.683 8.523 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.268 15.015 8.628 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.682 13.635 7.670 1.00 0.00 H new ATOM 886 N HIS A 59 -3.570 19.163 6.407 1.00 0.00 N ATOM 887 CA HIS A 59 -3.060 20.506 6.186 1.00 0.00 C ATOM 888 C HIS A 59 -1.586 20.568 6.589 1.00 0.00 C ATOM 889 O HIS A 59 -1.215 20.117 7.672 1.00 0.00 O ATOM 890 CB HIS A 59 -3.919 21.540 6.916 1.00 0.00 C ATOM 891 CG HIS A 59 -3.267 22.896 7.049 1.00 0.00 C ATOM 892 ND1 HIS A 59 -3.498 23.929 6.157 1.00 0.00 N ATOM 893 CD2 HIS A 59 -2.392 23.377 7.977 1.00 0.00 C ATOM 894 CE1 HIS A 59 -2.787 24.979 6.541 1.00 0.00 C ATOM 895 NE2 HIS A 59 -2.102 24.635 7.669 1.00 0.00 N ATOM 0 H HIS A 59 -4.475 19.122 6.876 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.121 20.752 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.864 21.653 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.156 21.163 7.911 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.001 22.827 8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.755 25.939 6.047 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.471 25.244 8.190 1.00 0.00 H new ATOM 903 N LEU A 60 -0.785 21.130 5.697 1.00 0.00 N ATOM 904 CA LEU A 60 0.641 21.257 5.946 1.00 0.00 C ATOM 905 C LEU A 60 1.264 22.155 4.875 1.00 0.00 C ATOM 906 O LEU A 60 1.832 23.200 5.190 1.00 0.00 O ATOM 907 CB LEU A 60 1.293 19.877 6.046 1.00 0.00 C ATOM 908 CG LEU A 60 2.098 19.605 7.318 1.00 0.00 C ATOM 909 CD1 LEU A 60 1.387 18.584 8.209 1.00 0.00 C ATOM 910 CD2 LEU A 60 3.527 19.175 6.982 1.00 0.00 C ATOM 0 H LEU A 60 -1.096 21.503 4.800 1.00 0.00 H new ATOM 0 HA LEU A 60 0.818 21.738 6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.511 19.121 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.952 19.746 5.188 1.00 0.00 H new ATOM 0 HG LEU A 60 2.166 20.534 7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.980 18.409 9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.407 18.968 8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.267 17.647 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.077 18.988 7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.502 18.264 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.022 19.966 6.418 1.00 0.00 H new ATOM 922 N ILE A 61 1.136 21.716 3.632 1.00 0.00 N ATOM 923 CA ILE A 61 1.679 22.467 2.513 1.00 0.00 C ATOM 924 C ILE A 61 3.066 22.996 2.884 1.00 0.00 C ATOM 925 O ILE A 61 3.215 24.167 3.228 1.00 0.00 O ATOM 926 CB ILE A 61 0.701 23.559 2.075 1.00 0.00 C ATOM 927 CG1 ILE A 61 -0.719 23.004 1.946 1.00 0.00 C ATOM 928 CG2 ILE A 61 1.173 24.233 0.786 1.00 0.00 C ATOM 929 CD1 ILE A 61 -1.631 23.569 3.037 1.00 0.00 C ATOM 0 H ILE A 61 0.664 20.849 3.375 1.00 0.00 H new ATOM 0 HA ILE A 61 1.806 21.819 1.646 1.00 0.00 H new ATOM 0 HB ILE A 61 0.677 24.326 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.123 23.253 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.696 21.916 2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.460 25.005 0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.151 24.685 0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.245 23.490 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.634 23.158 2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.238 23.297 4.017 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.672 24.655 2.951 1.00 0.00 H new ATOM 941 N HIS A 62 4.044 22.106 2.802 1.00 0.00 N ATOM 942 CA HIS A 62 5.414 22.469 3.125 1.00 0.00 C ATOM 943 C HIS A 62 6.362 21.367 2.650 1.00 0.00 C ATOM 944 O HIS A 62 7.260 21.618 1.847 1.00 0.00 O ATOM 945 CB HIS A 62 5.558 22.772 4.617 1.00 0.00 C ATOM 946 CG HIS A 62 6.915 23.308 5.007 1.00 0.00 C ATOM 947 ND1 HIS A 62 7.784 22.619 5.835 1.00 0.00 N ATOM 948 CD2 HIS A 62 7.543 24.472 4.673 1.00 0.00 C ATOM 949 CE1 HIS A 62 8.882 23.345 5.987 1.00 0.00 C ATOM 950 NE2 HIS A 62 8.730 24.493 5.266 1.00 0.00 N ATOM 0 H HIS A 62 3.915 21.135 2.517 1.00 0.00 H new ATOM 0 HA HIS A 62 5.685 23.385 2.600 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.796 23.496 4.905 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.362 21.861 5.183 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.142 25.245 4.034 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.745 23.075 6.578 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.416 25.244 5.194 1.00 0.00 H new ATOM 958 N MET A 63 6.131 20.168 3.166 1.00 0.00 N ATOM 959 CA MET A 63 6.954 19.027 2.804 1.00 0.00 C ATOM 960 C MET A 63 6.094 17.874 2.282 1.00 0.00 C ATOM 961 O MET A 63 6.258 17.439 1.144 1.00 0.00 O ATOM 962 CB MET A 63 7.745 18.559 4.028 1.00 0.00 C ATOM 963 CG MET A 63 9.251 18.614 3.761 1.00 0.00 C ATOM 964 SD MET A 63 10.123 19.020 5.265 1.00 0.00 S ATOM 965 CE MET A 63 11.358 17.731 5.264 1.00 0.00 C ATOM 0 H MET A 63 5.386 19.963 3.832 1.00 0.00 H new ATOM 0 HA MET A 63 7.638 19.333 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 63 7.501 19.187 4.885 1.00 0.00 H new ATOM 0 HB3 MET A 63 7.455 17.540 4.286 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.596 17.653 3.379 1.00 0.00 H new ATOM 0 HG3 MET A 63 9.466 19.358 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.994 17.836 6.143 1.00 0.00 H new ATOM 0 HE2 MET A 63 10.868 16.758 5.285 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.967 17.811 4.364 1.00 0.00 H new ATOM 975 N ARG A 64 5.195 17.414 3.139 1.00 0.00 N ATOM 976 CA ARG A 64 4.308 16.320 2.778 1.00 0.00 C ATOM 977 C ARG A 64 5.039 14.982 2.901 1.00 0.00 C ATOM 978 O ARG A 64 4.583 14.084 3.608 1.00 0.00 O ATOM 979 CB ARG A 64 3.790 16.481 1.348 1.00 0.00 C ATOM 980 CG ARG A 64 2.270 16.309 1.293 1.00 0.00 C ATOM 981 CD ARG A 64 1.887 15.086 0.458 1.00 0.00 C ATOM 982 NE ARG A 64 2.306 13.848 1.151 1.00 0.00 N ATOM 983 CZ ARG A 64 1.966 12.604 0.752 1.00 0.00 C ATOM 984 NH1 ARG A 64 1.197 12.422 -0.342 1.00 0.00 N ATOM 985 NH2 ARG A 64 2.397 11.568 1.447 1.00 0.00 N ATOM 0 H ARG A 64 5.061 17.778 4.082 1.00 0.00 H new ATOM 0 HA ARG A 64 3.461 16.339 3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.062 17.465 0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.267 15.746 0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.876 16.202 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.814 17.203 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.810 15.072 0.291 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.361 15.142 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 64 2.889 13.940 1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.868 13.228 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.945 11.479 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.978 11.714 2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.149 10.622 1.159 1.00 0.00 H new ATOM 999 N VAL A 65 6.161 14.890 2.203 1.00 0.00 N ATOM 1000 CA VAL A 65 6.959 13.676 2.225 1.00 0.00 C ATOM 1001 C VAL A 65 6.999 13.123 3.651 1.00 0.00 C ATOM 1002 O VAL A 65 6.979 11.909 3.850 1.00 0.00 O ATOM 1003 CB VAL A 65 8.351 13.954 1.652 1.00 0.00 C ATOM 1004 CG1 VAL A 65 9.275 12.751 1.850 1.00 0.00 C ATOM 1005 CG2 VAL A 65 8.268 14.346 0.176 1.00 0.00 C ATOM 0 H VAL A 65 6.537 15.637 1.618 1.00 0.00 H new ATOM 0 HA VAL A 65 6.509 12.911 1.592 1.00 0.00 H new ATOM 0 HB VAL A 65 8.776 14.796 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.257 12.974 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.371 12.538 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.855 11.882 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.270 14.538 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.813 13.534 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.662 15.246 0.072 1.00 0.00 H new ATOM 1015 N ALA A 66 7.055 14.040 4.606 1.00 0.00 N ATOM 1016 CA ALA A 66 7.098 13.659 6.007 1.00 0.00 C ATOM 1017 C ALA A 66 5.976 12.659 6.294 1.00 0.00 C ATOM 1018 O ALA A 66 6.236 11.532 6.713 1.00 0.00 O ATOM 1019 CB ALA A 66 6.999 14.911 6.880 1.00 0.00 C ATOM 0 H ALA A 66 7.072 15.046 4.437 1.00 0.00 H new ATOM 0 HA ALA A 66 8.044 13.171 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.031 14.625 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.834 15.576 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.061 15.426 6.673 1.00 0.00 H new ATOM 1025 N ALA A 67 4.752 13.107 6.056 1.00 0.00 N ATOM 1026 CA ALA A 67 3.589 12.265 6.284 1.00 0.00 C ATOM 1027 C ALA A 67 3.786 10.927 5.569 1.00 0.00 C ATOM 1028 O ALA A 67 3.254 9.905 5.999 1.00 0.00 O ATOM 1029 CB ALA A 67 2.330 12.997 5.816 1.00 0.00 C ATOM 0 H ALA A 67 4.540 14.042 5.708 1.00 0.00 H new ATOM 0 HA ALA A 67 3.468 12.056 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.458 12.366 5.987 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.221 13.926 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.413 13.221 4.752 1.00 0.00 H new ATOM 1035 N GLN A 68 4.552 10.977 4.489 1.00 0.00 N ATOM 1036 CA GLN A 68 4.826 9.781 3.710 1.00 0.00 C ATOM 1037 C GLN A 68 5.729 8.830 4.497 1.00 0.00 C ATOM 1038 O GLN A 68 5.517 7.618 4.489 1.00 0.00 O ATOM 1039 CB GLN A 68 5.450 10.138 2.359 1.00 0.00 C ATOM 1040 CG GLN A 68 4.915 9.229 1.251 1.00 0.00 C ATOM 1041 CD GLN A 68 5.962 9.028 0.153 1.00 0.00 C ATOM 1042 OE1 GLN A 68 5.937 9.662 -0.889 1.00 0.00 O ATOM 1043 NE2 GLN A 68 6.882 8.112 0.445 1.00 0.00 N ATOM 0 H GLN A 68 4.991 11.827 4.135 1.00 0.00 H new ATOM 0 HA GLN A 68 3.881 9.274 3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.233 11.178 2.117 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.534 10.045 2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.634 8.263 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.012 9.665 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.844 7.617 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.625 7.904 -0.222 1.00 0.00 H new ATOM 1052 N GLY A 69 6.716 9.414 5.159 1.00 0.00 N ATOM 1053 CA GLY A 69 7.652 8.633 5.951 1.00 0.00 C ATOM 1054 C GLY A 69 6.951 7.983 7.145 1.00 0.00 C ATOM 1055 O GLY A 69 7.190 6.816 7.449 1.00 0.00 O ATOM 0 H GLY A 69 6.889 10.419 5.164 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.106 7.863 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.459 9.275 6.304 1.00 0.00 H new ATOM 1059 N PHE A 70 6.100 8.767 7.790 1.00 0.00 N ATOM 1060 CA PHE A 70 5.362 8.283 8.944 1.00 0.00 C ATOM 1061 C PHE A 70 4.442 7.123 8.559 1.00 0.00 C ATOM 1062 O PHE A 70 4.560 6.025 9.102 1.00 0.00 O ATOM 1063 CB PHE A 70 4.510 9.447 9.452 1.00 0.00 C ATOM 1064 CG PHE A 70 4.391 9.514 10.976 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.159 8.380 11.690 1.00 0.00 C ATOM 1066 CD2 PHE A 70 4.518 10.707 11.616 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.049 8.441 13.104 1.00 0.00 C ATOM 1068 CE2 PHE A 70 4.408 10.768 13.031 1.00 0.00 C ATOM 1069 CZ PHE A 70 4.176 9.634 13.745 1.00 0.00 C ATOM 0 H PHE A 70 5.905 9.735 7.535 1.00 0.00 H new ATOM 0 HA PHE A 70 6.055 7.925 9.705 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.938 10.382 9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.511 9.367 9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.058 7.433 11.181 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.702 11.608 11.049 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.865 7.540 13.671 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.509 11.715 13.540 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.093 9.681 14.821 1.00 0.00 H new ATOM 1079 N VAL A 71 3.545 7.405 7.625 1.00 0.00 N ATOM 1080 CA VAL A 71 2.605 6.399 7.162 1.00 0.00 C ATOM 1081 C VAL A 71 3.378 5.184 6.647 1.00 0.00 C ATOM 1082 O VAL A 71 2.941 4.047 6.819 1.00 0.00 O ATOM 1083 CB VAL A 71 1.670 7.002 6.111 1.00 0.00 C ATOM 1084 CG1 VAL A 71 0.840 5.913 5.427 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.768 8.072 6.729 1.00 0.00 C ATOM 0 H VAL A 71 3.450 8.316 7.177 1.00 0.00 H new ATOM 0 HA VAL A 71 1.974 6.059 7.983 1.00 0.00 H new ATOM 0 HB VAL A 71 2.286 7.482 5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.184 6.368 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.505 5.203 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.239 5.392 6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.114 8.484 5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.164 7.626 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.383 8.869 7.148 1.00 0.00 H new ATOM 1095 N VAL A 72 4.515 5.464 6.026 1.00 0.00 N ATOM 1096 CA VAL A 72 5.353 4.408 5.486 1.00 0.00 C ATOM 1097 C VAL A 72 5.744 3.447 6.610 1.00 0.00 C ATOM 1098 O VAL A 72 5.445 2.256 6.546 1.00 0.00 O ATOM 1099 CB VAL A 72 6.562 5.014 4.770 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.755 4.056 4.803 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.210 5.403 3.333 1.00 0.00 C ATOM 0 H VAL A 72 4.875 6.408 5.885 1.00 0.00 H new ATOM 0 HA VAL A 72 4.806 3.830 4.741 1.00 0.00 H new ATOM 0 HB VAL A 72 6.847 5.922 5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.601 4.511 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.028 3.851 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.486 3.123 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.087 5.831 2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.887 4.518 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.405 6.138 3.342 1.00 0.00 H new ATOM 1111 N GLY A 73 6.407 4.001 7.615 1.00 0.00 N ATOM 1112 CA GLY A 73 6.842 3.208 8.752 1.00 0.00 C ATOM 1113 C GLY A 73 5.685 2.381 9.319 1.00 0.00 C ATOM 1114 O GLY A 73 5.836 1.187 9.570 1.00 0.00 O ATOM 0 H GLY A 73 6.653 4.990 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.653 2.546 8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.239 3.864 9.527 1.00 0.00 H new ATOM 1118 N ALA A 74 4.557 3.050 9.503 1.00 0.00 N ATOM 1119 CA ALA A 74 3.375 2.392 10.035 1.00 0.00 C ATOM 1120 C ALA A 74 3.028 1.189 9.157 1.00 0.00 C ATOM 1121 O ALA A 74 2.998 0.055 9.634 1.00 0.00 O ATOM 1122 CB ALA A 74 2.227 3.399 10.125 1.00 0.00 C ATOM 0 H ALA A 74 4.436 4.041 9.293 1.00 0.00 H new ATOM 0 HA ALA A 74 3.563 2.021 11.043 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.341 2.906 10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.513 4.219 10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.008 3.791 9.132 1.00 0.00 H new ATOM 1128 N MET A 75 2.775 1.476 7.889 1.00 0.00 N ATOM 1129 CA MET A 75 2.431 0.431 6.939 1.00 0.00 C ATOM 1130 C MET A 75 3.314 -0.802 7.137 1.00 0.00 C ATOM 1131 O MET A 75 2.810 -1.907 7.331 1.00 0.00 O ATOM 1132 CB MET A 75 2.603 0.960 5.514 1.00 0.00 C ATOM 1133 CG MET A 75 1.471 0.472 4.607 1.00 0.00 C ATOM 1134 SD MET A 75 0.088 1.597 4.699 1.00 0.00 S ATOM 1135 CE MET A 75 -0.448 1.568 2.996 1.00 0.00 C ATOM 0 H MET A 75 2.801 2.417 7.497 1.00 0.00 H new ATOM 0 HA MET A 75 1.393 0.141 7.105 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.620 2.050 5.526 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.562 0.631 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.824 0.399 3.578 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.158 -0.528 4.908 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.311 2.222 2.875 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.362 1.913 2.354 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.723 0.550 2.718 1.00 0.00 H new ATOM 1145 N THR A 76 4.618 -0.572 7.080 1.00 0.00 N ATOM 1146 CA THR A 76 5.577 -1.650 7.251 1.00 0.00 C ATOM 1147 C THR A 76 5.261 -2.449 8.517 1.00 0.00 C ATOM 1148 O THR A 76 5.180 -3.676 8.477 1.00 0.00 O ATOM 1149 CB THR A 76 6.980 -1.040 7.251 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.212 -0.704 5.886 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.066 -2.069 7.571 1.00 0.00 C ATOM 0 H THR A 76 5.033 0.346 6.918 1.00 0.00 H new ATOM 0 HA THR A 76 5.519 -2.365 6.430 1.00 0.00 H new ATOM 0 HB THR A 76 7.023 -0.229 7.978 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.100 -0.300 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.042 -1.584 7.558 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.885 -2.494 8.558 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.046 -2.863 6.825 1.00 0.00 H new ATOM 1159 N VAL A 77 5.092 -1.721 9.611 1.00 0.00 N ATOM 1160 CA VAL A 77 4.788 -2.346 10.886 1.00 0.00 C ATOM 1161 C VAL A 77 3.604 -3.300 10.712 1.00 0.00 C ATOM 1162 O VAL A 77 3.659 -4.449 11.148 1.00 0.00 O ATOM 1163 CB VAL A 77 4.540 -1.273 11.949 1.00 0.00 C ATOM 1164 CG1 VAL A 77 4.055 -1.900 13.258 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.794 -0.427 12.177 1.00 0.00 C ATOM 0 H VAL A 77 5.160 -0.704 9.640 1.00 0.00 H new ATOM 0 HA VAL A 77 5.635 -2.938 11.233 1.00 0.00 H new ATOM 0 HB VAL A 77 3.754 -0.613 11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.886 -1.116 13.996 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.124 -2.438 13.081 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.809 -2.593 13.631 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.591 0.328 12.937 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.610 -1.068 12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.077 0.063 11.245 1.00 0.00 H new ATOM 1175 N GLY A 78 2.562 -2.788 10.075 1.00 0.00 N ATOM 1176 CA GLY A 78 1.367 -3.580 9.838 1.00 0.00 C ATOM 1177 C GLY A 78 1.710 -4.891 9.128 1.00 0.00 C ATOM 1178 O GLY A 78 1.296 -5.964 9.565 1.00 0.00 O ATOM 0 H GLY A 78 2.520 -1.834 9.715 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.874 -3.794 10.786 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.662 -3.009 9.234 1.00 0.00 H new ATOM 1182 N MET A 79 2.464 -4.762 8.047 1.00 0.00 N ATOM 1183 CA MET A 79 2.867 -5.924 7.273 1.00 0.00 C ATOM 1184 C MET A 79 3.511 -6.984 8.169 1.00 0.00 C ATOM 1185 O MET A 79 3.129 -8.152 8.127 1.00 0.00 O ATOM 1186 CB MET A 79 3.863 -5.497 6.192 1.00 0.00 C ATOM 1187 CG MET A 79 4.133 -6.640 5.212 1.00 0.00 C ATOM 1188 SD MET A 79 4.757 -5.990 3.672 1.00 0.00 S ATOM 1189 CE MET A 79 5.539 -7.453 3.012 1.00 0.00 C ATOM 0 H MET A 79 2.807 -3.871 7.688 1.00 0.00 H new ATOM 0 HA MET A 79 1.978 -6.356 6.812 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.471 -4.635 5.652 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.798 -5.184 6.657 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.854 -7.335 5.641 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.216 -7.202 5.034 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.906 -7.247 2.007 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.374 -7.739 3.652 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.815 -8.267 2.974 1.00 0.00 H new ATOM 1199 N GLY A 80 4.476 -6.537 8.960 1.00 0.00 N ATOM 1200 CA GLY A 80 5.175 -7.433 9.865 1.00 0.00 C ATOM 1201 C GLY A 80 4.198 -8.122 10.819 1.00 0.00 C ATOM 1202 O GLY A 80 4.343 -9.307 11.113 1.00 0.00 O ATOM 0 H GLY A 80 4.790 -5.567 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.719 -8.184 9.291 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.914 -6.873 10.438 1.00 0.00 H new ATOM 1206 N TYR A 81 3.224 -7.349 11.277 1.00 0.00 N ATOM 1207 CA TYR A 81 2.222 -7.870 12.192 1.00 0.00 C ATOM 1208 C TYR A 81 1.280 -8.841 11.478 1.00 0.00 C ATOM 1209 O TYR A 81 0.650 -9.683 12.117 1.00 0.00 O ATOM 1210 CB TYR A 81 1.419 -6.659 12.672 1.00 0.00 C ATOM 1211 CG TYR A 81 0.961 -6.754 14.128 1.00 0.00 C ATOM 1212 CD1 TYR A 81 1.860 -6.527 15.150 1.00 0.00 C ATOM 1213 CD2 TYR A 81 -0.352 -7.066 14.420 1.00 0.00 C ATOM 1214 CE1 TYR A 81 1.428 -6.617 16.521 1.00 0.00 C ATOM 1215 CE2 TYR A 81 -0.783 -7.155 15.791 1.00 0.00 C ATOM 1216 CZ TYR A 81 0.128 -6.926 16.774 1.00 0.00 C ATOM 1217 OH TYR A 81 -0.279 -7.011 18.069 1.00 0.00 O ATOM 0 H TYR A 81 3.107 -6.366 11.032 1.00 0.00 H new ATOM 0 HA TYR A 81 2.695 -8.410 13.012 1.00 0.00 H new ATOM 0 HB2 TYR A 81 2.026 -5.762 12.551 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.544 -6.540 12.033 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.887 -6.282 14.922 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.056 -7.243 13.620 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.121 -6.443 17.331 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.807 -7.398 16.033 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.232 -7.238 18.098 1.00 0.00 H new ATOM 1227 N SER A 82 1.214 -8.693 10.164 1.00 0.00 N ATOM 1228 CA SER A 82 0.359 -9.547 9.356 1.00 0.00 C ATOM 1229 C SER A 82 0.384 -10.977 9.901 1.00 0.00 C ATOM 1230 O SER A 82 -0.666 -11.570 10.145 1.00 0.00 O ATOM 1231 CB SER A 82 0.793 -9.531 7.889 1.00 0.00 C ATOM 1232 OG SER A 82 -0.205 -10.081 7.032 1.00 0.00 O ATOM 0 H SER A 82 1.739 -7.994 9.638 1.00 0.00 H new ATOM 0 HA SER A 82 -0.659 -9.161 9.410 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.007 -8.506 7.585 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.718 -10.097 7.778 1.00 0.00 H new ATOM 0 HG SER A 82 0.108 -10.052 6.104 1.00 0.00 H new ATOM 1238 N MET A 83 1.593 -11.489 10.077 1.00 0.00 N ATOM 1239 CA MET A 83 1.768 -12.837 10.589 1.00 0.00 C ATOM 1240 C MET A 83 2.951 -12.908 11.557 1.00 0.00 C ATOM 1241 O MET A 83 4.099 -12.732 11.152 1.00 0.00 O ATOM 1242 CB MET A 83 2.004 -13.799 9.423 1.00 0.00 C ATOM 1243 CG MET A 83 0.887 -14.842 9.338 1.00 0.00 C ATOM 1244 SD MET A 83 0.299 -14.971 7.658 1.00 0.00 S ATOM 1245 CE MET A 83 -1.015 -16.159 7.880 1.00 0.00 C ATOM 0 H MET A 83 2.461 -10.994 9.874 1.00 0.00 H new ATOM 0 HA MET A 83 0.864 -13.120 11.129 1.00 0.00 H new ATOM 0 HB2 MET A 83 2.055 -13.239 8.489 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.965 -14.299 9.548 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.255 -15.810 9.678 1.00 0.00 H new ATOM 0 HG3 MET A 83 0.066 -14.563 9.999 1.00 0.00 H new ATOM 0 HE1 MET A 83 -1.493 -16.356 6.921 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.603 -17.087 8.278 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.752 -15.761 8.578 1.00 0.00 H new ATOM 1255 N TYR A 84 2.629 -13.165 12.816 1.00 0.00 N ATOM 1256 CA TYR A 84 3.651 -13.260 13.844 1.00 0.00 C ATOM 1257 C TYR A 84 4.605 -14.424 13.564 1.00 0.00 C ATOM 1258 O TYR A 84 4.174 -15.495 13.139 1.00 0.00 O ATOM 1259 CB TYR A 84 2.908 -13.531 15.154 1.00 0.00 C ATOM 1260 CG TYR A 84 1.985 -14.750 15.105 1.00 0.00 C ATOM 1261 CD1 TYR A 84 2.482 -16.004 15.396 1.00 0.00 C ATOM 1262 CD2 TYR A 84 0.655 -14.596 14.770 1.00 0.00 C ATOM 1263 CE1 TYR A 84 1.613 -17.152 15.350 1.00 0.00 C ATOM 1264 CE2 TYR A 84 -0.214 -15.743 14.724 1.00 0.00 C ATOM 1265 CZ TYR A 84 0.308 -16.965 15.017 1.00 0.00 C ATOM 1266 OH TYR A 84 -0.512 -18.048 14.973 1.00 0.00 O ATOM 0 H TYR A 84 1.675 -13.310 13.147 1.00 0.00 H new ATOM 0 HA TYR A 84 4.244 -12.346 13.880 1.00 0.00 H new ATOM 0 HB2 TYR A 84 3.638 -13.673 15.951 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.318 -12.652 15.414 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.523 -16.125 15.658 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.266 -13.615 14.542 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.990 -18.139 15.575 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.256 -15.636 14.463 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.416 -17.764 14.722 1.00 0.00 H new ATOM 1276 N ARG A 85 5.882 -14.174 13.812 1.00 0.00 N ATOM 1277 CA ARG A 85 6.899 -15.187 13.592 1.00 0.00 C ATOM 1278 C ARG A 85 8.257 -14.695 14.099 1.00 0.00 C ATOM 1279 O ARG A 85 8.412 -13.520 14.429 1.00 0.00 O ATOM 1280 CB ARG A 85 7.015 -15.538 12.107 1.00 0.00 C ATOM 1281 CG ARG A 85 6.491 -16.949 11.835 1.00 0.00 C ATOM 1282 CD ARG A 85 5.947 -17.066 10.409 1.00 0.00 C ATOM 1283 NE ARG A 85 5.415 -18.429 10.181 1.00 0.00 N ATOM 1284 CZ ARG A 85 4.167 -18.820 10.518 1.00 0.00 C ATOM 1285 NH1 ARG A 85 3.311 -17.954 11.101 1.00 0.00 N ATOM 1286 NH2 ARG A 85 3.797 -20.062 10.268 1.00 0.00 N ATOM 0 H ARG A 85 6.235 -13.284 14.163 1.00 0.00 H new ATOM 0 HA ARG A 85 6.602 -16.079 14.143 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.453 -14.817 11.514 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.056 -15.466 11.793 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.292 -17.673 11.983 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.705 -17.193 12.549 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.161 -16.328 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.738 -16.850 9.690 1.00 0.00 H new ATOM 0 HE ARG A 85 6.029 -19.115 9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.605 -16.996 11.290 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.370 -18.258 11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.450 -20.710 9.827 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.858 -20.374 10.516 1.00 0.00 H new ATOM 1300 N GLU A 86 9.205 -15.619 14.146 1.00 0.00 N ATOM 1301 CA GLU A 86 10.544 -15.295 14.608 1.00 0.00 C ATOM 1302 C GLU A 86 11.335 -14.602 13.497 1.00 0.00 C ATOM 1303 O GLU A 86 12.395 -15.079 13.094 1.00 0.00 O ATOM 1304 CB GLU A 86 11.272 -16.547 15.101 1.00 0.00 C ATOM 1305 CG GLU A 86 11.513 -17.529 13.952 1.00 0.00 C ATOM 1306 CD GLU A 86 11.614 -18.965 14.471 1.00 0.00 C ATOM 1307 OE1 GLU A 86 10.493 -19.498 14.820 1.00 0.00 O ATOM 1308 OE2 GLU A 86 12.718 -19.526 14.530 1.00 0.00 O ATOM 0 H GLU A 86 9.072 -16.592 13.872 1.00 0.00 H new ATOM 0 HA GLU A 86 10.461 -14.608 15.450 1.00 0.00 H new ATOM 0 HB2 GLU A 86 12.225 -16.265 15.549 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.684 -17.031 15.881 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.700 -17.456 13.230 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.431 -17.263 13.427 1.00 0.00 H new ATOM 1315 N PHE A 87 10.790 -13.487 13.033 1.00 0.00 N ATOM 1316 CA PHE A 87 11.431 -12.723 11.977 1.00 0.00 C ATOM 1317 C PHE A 87 12.141 -11.492 12.544 1.00 0.00 C ATOM 1318 O PHE A 87 13.317 -11.266 12.265 1.00 0.00 O ATOM 1319 CB PHE A 87 10.327 -12.266 11.021 1.00 0.00 C ATOM 1320 CG PHE A 87 10.170 -13.152 9.783 1.00 0.00 C ATOM 1321 CD1 PHE A 87 11.227 -13.353 8.953 1.00 0.00 C ATOM 1322 CD2 PHE A 87 8.972 -13.737 9.514 1.00 0.00 C ATOM 1323 CE1 PHE A 87 11.081 -14.175 7.804 1.00 0.00 C ATOM 1324 CE2 PHE A 87 8.826 -14.559 8.365 1.00 0.00 C ATOM 1325 CZ PHE A 87 9.883 -14.761 7.535 1.00 0.00 C ATOM 0 H PHE A 87 9.911 -13.094 13.370 1.00 0.00 H new ATOM 0 HA PHE A 87 12.176 -13.338 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 87 9.380 -12.242 11.561 1.00 0.00 H new ATOM 0 HB3 PHE A 87 10.537 -11.246 10.701 1.00 0.00 H new ATOM 0 HD1 PHE A 87 12.178 -12.888 9.167 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.132 -13.577 10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.921 -14.335 7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.875 -15.024 8.151 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.772 -15.387 6.662 1.00 0.00 H new ATOM 1335 N TRP A 88 11.395 -10.728 13.328 1.00 0.00 N ATOM 1336 CA TRP A 88 11.938 -9.525 13.937 1.00 0.00 C ATOM 1337 C TRP A 88 12.354 -8.574 12.813 1.00 0.00 C ATOM 1338 O TRP A 88 12.532 -8.995 11.672 1.00 0.00 O ATOM 1339 CB TRP A 88 13.085 -9.863 14.891 1.00 0.00 C ATOM 1340 CG TRP A 88 12.735 -9.694 16.370 1.00 0.00 C ATOM 1341 CD1 TRP A 88 12.004 -8.726 16.940 1.00 0.00 C ATOM 1342 CD2 TRP A 88 13.132 -10.563 17.452 1.00 0.00 C ATOM 1343 NE1 TRP A 88 11.902 -8.906 18.304 1.00 0.00 N ATOM 1344 CE2 TRP A 88 12.610 -10.058 18.626 1.00 0.00 C ATOM 1345 CE3 TRP A 88 13.908 -11.735 17.440 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 12.806 -10.662 19.874 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 14.095 -12.326 18.695 1.00 0.00 C ATOM 1348 CH2 TRP A 88 13.576 -11.831 19.886 1.00 0.00 C ATOM 0 H TRP A 88 10.419 -10.918 13.556 1.00 0.00 H new ATOM 0 HA TRP A 88 11.186 -9.030 14.552 1.00 0.00 H new ATOM 0 HB2 TRP A 88 13.397 -10.893 14.717 1.00 0.00 H new ATOM 0 HB3 TRP A 88 13.939 -9.228 14.655 1.00 0.00 H new ATOM 0 HD1 TRP A 88 11.552 -7.908 16.399 1.00 0.00 H new ATOM 0 HE1 TRP A 88 11.399 -8.304 18.956 1.00 0.00 H new ATOM 0 HE3 TRP A 88 14.327 -12.147 16.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 12.386 -10.248 20.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 14.684 -13.230 18.741 1.00 0.00 H new ATOM 0 HH2 TRP A 88 13.766 -12.346 20.816 1.00 0.00 H new ATOM 1359 N ALA A 89 12.499 -7.307 13.176 1.00 0.00 N ATOM 1360 CA ALA A 89 12.891 -6.293 12.213 1.00 0.00 C ATOM 1361 C ALA A 89 14.157 -6.750 11.485 1.00 0.00 C ATOM 1362 O ALA A 89 14.169 -6.852 10.259 1.00 0.00 O ATOM 1363 CB ALA A 89 13.082 -4.955 12.930 1.00 0.00 C ATOM 0 H ALA A 89 12.352 -6.961 14.124 1.00 0.00 H new ATOM 0 HA ALA A 89 12.112 -6.153 11.464 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.376 -4.194 12.207 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.147 -4.661 13.407 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.859 -5.056 13.688 1.00 0.00 H new ATOM 1369 N LYS A 90 15.191 -7.012 12.270 1.00 0.00 N ATOM 1370 CA LYS A 90 16.458 -7.456 11.715 1.00 0.00 C ATOM 1371 C LYS A 90 16.712 -8.906 12.131 1.00 0.00 C ATOM 1372 O LYS A 90 17.210 -9.164 13.226 1.00 0.00 O ATOM 1373 CB LYS A 90 17.582 -6.497 12.112 1.00 0.00 C ATOM 1374 CG LYS A 90 17.910 -5.534 10.969 1.00 0.00 C ATOM 1375 CD LYS A 90 19.040 -4.580 11.363 1.00 0.00 C ATOM 1376 CE LYS A 90 19.508 -3.758 10.160 1.00 0.00 C ATOM 1377 NZ LYS A 90 18.974 -2.380 10.235 1.00 0.00 N ATOM 0 H LYS A 90 15.177 -6.925 13.286 1.00 0.00 H new ATOM 0 HA LYS A 90 16.424 -7.438 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.287 -5.931 12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.472 -7.066 12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.199 -6.100 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.021 -4.961 10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.698 -3.912 12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.877 -5.149 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.597 -3.731 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 90 19.177 -4.233 9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.301 -1.836 9.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 17.934 -2.410 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.311 -1.924 11.107 1.00 0.00 H new ATOM 1391 N PRO A 91 16.350 -9.840 11.211 1.00 0.00 N ATOM 1392 CA PRO A 91 16.533 -11.258 11.471 1.00 0.00 C ATOM 1393 C PRO A 91 18.006 -11.653 11.342 1.00 0.00 C ATOM 1394 O PRO A 91 18.814 -10.888 10.817 1.00 0.00 O ATOM 1395 CB PRO A 91 15.639 -11.961 10.463 1.00 0.00 C ATOM 1396 CG PRO A 91 15.348 -10.938 9.377 1.00 0.00 C ATOM 1397 CD PRO A 91 15.758 -9.572 9.903 1.00 0.00 C ATOM 0 HA PRO A 91 16.260 -11.538 12.488 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.133 -12.840 10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 91 14.717 -12.305 10.932 1.00 0.00 H new ATOM 0 HG2 PRO A 91 15.899 -11.179 8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.289 -10.946 9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 91 16.473 -9.089 9.236 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.899 -8.906 9.986 1.00 0.00 H new ATOM 1405 N LYS A 92 18.310 -12.846 11.830 1.00 0.00 N ATOM 1406 CA LYS A 92 19.671 -13.352 11.777 1.00 0.00 C ATOM 1407 C LYS A 92 19.723 -14.567 10.848 1.00 0.00 C ATOM 1408 O LYS A 92 18.703 -15.208 10.602 1.00 0.00 O ATOM 1409 CB LYS A 92 20.195 -13.632 13.187 1.00 0.00 C ATOM 1410 CG LYS A 92 20.380 -12.332 13.971 1.00 0.00 C ATOM 1411 CD LYS A 92 21.864 -12.009 14.155 1.00 0.00 C ATOM 1412 CE LYS A 92 22.053 -10.793 15.065 1.00 0.00 C ATOM 1413 NZ LYS A 92 22.416 -11.222 16.434 1.00 0.00 N ATOM 0 H LYS A 92 17.637 -13.477 12.264 1.00 0.00 H new ATOM 0 HA LYS A 92 20.340 -12.601 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 92 19.499 -14.283 13.715 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.145 -14.163 13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 92 19.888 -11.513 13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 92 19.900 -12.419 14.946 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.377 -12.871 14.583 1.00 0.00 H new ATOM 0 HD3 LYS A 92 22.321 -11.816 13.184 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.832 -10.147 14.661 1.00 0.00 H new ATOM 0 HE3 LYS A 92 21.135 -10.206 15.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.541 -10.385 17.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 21.659 -11.820 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.304 -11.763 16.404 1.00 0.00 H new ATOM 1427 N PRO A 93 20.954 -14.854 10.346 1.00 0.00 N ATOM 1428 CA PRO A 93 21.152 -15.981 9.450 1.00 0.00 C ATOM 1429 C PRO A 93 21.118 -17.304 10.218 1.00 0.00 C ATOM 1430 O PRO A 93 21.162 -17.314 11.447 1.00 0.00 O ATOM 1431 CB PRO A 93 22.489 -15.719 8.777 1.00 0.00 C ATOM 1432 CG PRO A 93 23.205 -14.704 9.654 1.00 0.00 C ATOM 1433 CD PRO A 93 22.184 -14.117 10.616 1.00 0.00 C ATOM 0 HA PRO A 93 20.359 -16.072 8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 93 23.069 -16.638 8.690 1.00 0.00 H new ATOM 0 HB3 PRO A 93 22.349 -15.333 7.767 1.00 0.00 H new ATOM 0 HG2 PRO A 93 24.018 -15.180 10.203 1.00 0.00 H new ATOM 0 HG3 PRO A 93 23.650 -13.918 9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 93 22.500 -14.240 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 93 22.050 -13.048 10.448 1.00 0.00 H new TER 1441 PRO A 93