USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 101 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.011) USER MOD Set 1.2: A 103 ASN : amide:sc= 0 X(o=-0.015,f=-0.011) USER MOD Set 2.1: A 92 TYR OH : rot 99:sc= 1.08 USER MOD Set 2.2: A 105 HIS : no HE2:sc= 0.569 K(o=4.5,f=-5!) USER MOD Set 2.3: A 107 HIS : no HE2:sc= 1.77 K(o=4.5,f=-8.5!) USER MOD Set 2.4: A 112 SER OG : rot -139:sc= 1.04 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -166:sc= 2.26 (180deg=0.703) USER MOD Set 3.2: A 37 GLN : amide:sc= 1.16 K(o=3.4,f=-8.3!) USER MOD Set 4.1: A 27 THR OG1 : rot -168:sc= 1.49 USER MOD Set 4.2: A 31 THR OG1 : rot 171:sc= 1.8 USER MOD Set 5.1: A 2 SER OG : rot 33:sc= 2.11 USER MOD Set 5.2: A 7 LYS NZ :NH3+ -162:sc= 3.47 (180deg=0.829) USER MOD Set 5.3: A 68 ASN : amide:sc= 1.69 K(o=7.3,f=-12!) USER MOD Single : A 1 ILE N :NH3+ -150:sc= 1.84 (180deg=-0.567) USER MOD Single : A 5 GLN : amide:sc= 0.781 K(o=0.78,f=-5.3!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0401 USER MOD Single : A 10 THR OG1 : rot -33:sc= 1 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -22:sc= 1.1 USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= 1.38 (180deg=-0.3) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.8!) USER MOD Single : A 38 TYR OH : rot 30:sc= 1.23 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -172:sc= 2.78 (180deg=2.45) USER MOD Single : A 50 SER OG : rot -127:sc= 0.786 USER MOD Single : A 51 SER OG : rot -138:sc= 1.13 USER MOD Single : A 54 SER OG : rot -7:sc= 0.871 USER MOD Single : A 56 ASN : amide:sc= -1.25! C(o=-1.3!,f=-6.2!) USER MOD Single : A 59 THR OG1 : rot 0:sc= 0.374 USER MOD Single : A 66 THR OG1 : rot -160:sc= 1.02 USER MOD Single : A 72 SER OG : rot -27:sc= 0.93 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 77 ASN : amide:sc= 0.278 K(o=0.28,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 0.614 (180deg=-0.299) USER MOD Single : A 91 SER OG : rot -67:sc= 1.09 USER MOD Single : A 100 GLN : amide:sc= 1.24 K(o=1.2,f=-0.38) USER MOD Single : A 104 HIS : no HE2:sc= 0.684 K(o=0.68,f=-5.7!) USER MOD Single : A 108 LYS NZ :NH3+ -145:sc= 1.57 (180deg=-0.924!) USER MOD Single : A 109 SER OG : rot -15:sc= 1.17 USER MOD Single : A 111 SER OG : rot -143:sc= 0.792 USER MOD Single : A 115 LYS NZ :NH3+ 149:sc= 1.1 (180deg=0.377) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.520 7.900 12.783 1.00 0.00 N ATOM 2 CA ILE A 1 -1.447 7.018 13.524 1.00 0.00 C ATOM 3 C ILE A 1 -2.134 6.053 12.563 1.00 0.00 C ATOM 4 O ILE A 1 -2.944 6.483 11.741 1.00 0.00 O ATOM 5 CB ILE A 1 -2.472 7.836 14.347 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.760 8.757 15.368 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.457 6.903 15.079 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.659 9.860 15.938 1.00 0.00 C ATOM 0 H1 ILE A 1 0.272 8.169 13.401 1.00 0.00 H new ATOM 0 H2 ILE A 1 -0.153 7.397 11.950 1.00 0.00 H new ATOM 0 H3 ILE A 1 -1.026 8.755 12.476 1.00 0.00 H new ATOM 0 HA ILE A 1 -0.869 6.432 14.238 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.031 8.460 13.649 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.382 8.149 16.190 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.896 9.217 14.888 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.167 7.500 15.651 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.996 6.298 14.350 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -2.905 6.250 15.755 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.090 10.464 16.645 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.017 10.493 15.126 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.510 9.409 16.448 1.00 0.00 H new ATOM 22 N SER A 2 -1.770 4.768 12.656 1.00 0.00 N ATOM 23 CA SER A 2 -2.297 3.639 11.875 1.00 0.00 C ATOM 24 C SER A 2 -3.759 3.290 12.222 1.00 0.00 C ATOM 25 O SER A 2 -4.416 3.938 13.033 1.00 0.00 O ATOM 26 CB SER A 2 -1.351 2.441 12.078 1.00 0.00 C ATOM 27 OG SER A 2 -1.455 1.379 11.135 1.00 0.00 O ATOM 0 H SER A 2 -1.055 4.469 13.319 1.00 0.00 H new ATOM 0 HA SER A 2 -2.327 3.919 10.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.326 2.810 12.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.528 2.032 13.073 1.00 0.00 H new ATOM 0 HG SER A 2 -1.694 1.743 10.257 1.00 0.00 H new ATOM 33 N GLU A 3 -4.272 2.260 11.555 1.00 0.00 N ATOM 34 CA GLU A 3 -5.675 1.880 11.407 1.00 0.00 C ATOM 35 C GLU A 3 -5.879 0.396 11.754 1.00 0.00 C ATOM 36 O GLU A 3 -4.941 -0.393 11.653 1.00 0.00 O ATOM 37 CB GLU A 3 -6.103 2.187 9.956 1.00 0.00 C ATOM 38 CG GLU A 3 -5.224 1.564 8.844 1.00 0.00 C ATOM 39 CD GLU A 3 -3.842 2.221 8.697 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.786 3.345 8.157 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.831 1.660 9.205 1.00 0.00 O ATOM 0 H GLU A 3 -3.661 1.611 11.059 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.295 2.451 12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.127 1.840 9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.112 3.269 9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.090 0.503 9.053 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.753 1.637 7.894 1.00 0.00 H new ATOM 48 N PHE A 4 -7.092 -0.008 12.151 1.00 0.00 N ATOM 49 CA PHE A 4 -7.366 -1.387 12.569 1.00 0.00 C ATOM 50 C PHE A 4 -7.766 -2.272 11.382 1.00 0.00 C ATOM 51 O PHE A 4 -7.085 -3.241 11.055 1.00 0.00 O ATOM 52 CB PHE A 4 -8.440 -1.383 13.669 1.00 0.00 C ATOM 53 CG PHE A 4 -8.817 -2.771 14.161 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.872 -3.551 14.855 1.00 0.00 C ATOM 55 CD2 PHE A 4 -10.100 -3.293 13.907 1.00 0.00 C ATOM 56 CE1 PHE A 4 -8.201 -4.852 15.276 1.00 0.00 C ATOM 57 CE2 PHE A 4 -10.431 -4.593 14.333 1.00 0.00 C ATOM 58 CZ PHE A 4 -9.478 -5.375 15.010 1.00 0.00 C ATOM 0 H PHE A 4 -7.905 0.607 12.191 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.452 -1.820 12.975 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.081 -0.793 14.513 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.333 -0.886 13.290 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.892 -3.149 15.065 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -10.831 -2.695 13.384 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.472 -5.449 15.804 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.417 -4.990 14.140 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.728 -6.377 15.325 1.00 0.00 H new ATOM 68 N GLN A 5 -8.874 -1.938 10.719 1.00 0.00 N ATOM 69 CA GLN A 5 -9.512 -2.748 9.684 1.00 0.00 C ATOM 70 C GLN A 5 -8.612 -3.030 8.469 1.00 0.00 C ATOM 71 O GLN A 5 -8.693 -4.106 7.881 1.00 0.00 O ATOM 72 CB GLN A 5 -10.855 -2.112 9.273 1.00 0.00 C ATOM 73 CG GLN A 5 -10.811 -0.660 8.745 1.00 0.00 C ATOM 74 CD GLN A 5 -10.858 0.406 9.845 1.00 0.00 C ATOM 75 OE1 GLN A 5 -9.934 0.575 10.631 1.00 0.00 O ATOM 76 NE2 GLN A 5 -11.933 1.165 9.941 1.00 0.00 N ATOM 0 H GLN A 5 -9.369 -1.064 10.896 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.701 -3.729 10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.305 -2.739 8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.521 -2.139 10.136 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.901 -0.524 8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.651 -0.505 8.067 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.709 1.034 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.988 1.883 10.664 1.00 0.00 H new ATOM 85 N LEU A 6 -7.714 -2.099 8.121 1.00 0.00 N ATOM 86 CA LEU A 6 -6.786 -2.232 6.993 1.00 0.00 C ATOM 87 C LEU A 6 -5.596 -3.167 7.298 1.00 0.00 C ATOM 88 O LEU A 6 -4.817 -3.464 6.396 1.00 0.00 O ATOM 89 CB LEU A 6 -6.332 -0.821 6.555 1.00 0.00 C ATOM 90 CG LEU A 6 -6.437 -0.545 5.039 1.00 0.00 C ATOM 91 CD1 LEU A 6 -6.299 0.961 4.791 1.00 0.00 C ATOM 92 CD2 LEU A 6 -5.366 -1.257 4.209 1.00 0.00 C ATOM 0 H LEU A 6 -7.611 -1.218 8.625 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.308 -2.713 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.931 -0.081 7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.297 -0.676 6.865 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.408 -0.928 4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.372 1.162 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.095 1.490 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.332 1.303 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.503 -1.016 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.378 -0.928 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.453 -2.334 4.349 1.00 0.00 H new ATOM 104 N LYS A 7 -5.452 -3.674 8.535 1.00 0.00 N ATOM 105 CA LYS A 7 -4.337 -4.550 8.935 1.00 0.00 C ATOM 106 C LYS A 7 -4.215 -5.825 8.101 1.00 0.00 C ATOM 107 O LYS A 7 -3.101 -6.330 7.968 1.00 0.00 O ATOM 108 CB LYS A 7 -4.456 -4.923 10.428 1.00 0.00 C ATOM 109 CG LYS A 7 -4.069 -3.768 11.367 1.00 0.00 C ATOM 110 CD LYS A 7 -2.543 -3.655 11.517 1.00 0.00 C ATOM 111 CE LYS A 7 -2.060 -2.315 12.080 1.00 0.00 C ATOM 112 NZ LYS A 7 -2.421 -1.197 11.184 1.00 0.00 N ATOM 0 H LYS A 7 -6.111 -3.486 9.291 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.431 -3.972 8.755 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.480 -5.229 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.817 -5.782 10.635 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.468 -2.831 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.522 -3.925 12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.194 -4.456 12.169 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.082 -3.813 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.499 -2.152 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.979 -2.342 12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.839 -0.366 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.252 -1.475 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.426 -0.961 11.311 1.00 0.00 H new ATOM 126 N GLY A 8 -5.323 -6.379 7.597 1.00 0.00 N ATOM 127 CA GLY A 8 -5.358 -7.707 6.982 1.00 0.00 C ATOM 128 C GLY A 8 -5.318 -8.805 8.047 1.00 0.00 C ATOM 129 O GLY A 8 -4.264 -9.365 8.348 1.00 0.00 O ATOM 0 H GLY A 8 -6.230 -5.912 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.262 -7.810 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.511 -7.821 6.305 1.00 0.00 H new ATOM 133 N THR A 9 -6.476 -9.095 8.643 1.00 0.00 N ATOM 134 CA THR A 9 -6.672 -10.023 9.772 1.00 0.00 C ATOM 135 C THR A 9 -6.439 -11.504 9.437 1.00 0.00 C ATOM 136 O THR A 9 -6.444 -12.336 10.338 1.00 0.00 O ATOM 137 CB THR A 9 -8.105 -9.855 10.314 1.00 0.00 C ATOM 138 OG1 THR A 9 -9.018 -9.858 9.237 1.00 0.00 O ATOM 139 CG2 THR A 9 -8.287 -8.532 11.063 1.00 0.00 C ATOM 0 H THR A 9 -7.352 -8.669 8.339 1.00 0.00 H new ATOM 0 HA THR A 9 -5.917 -9.759 10.512 1.00 0.00 H new ATOM 0 HB THR A 9 -8.285 -10.682 11.001 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.930 -9.753 9.581 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.312 -8.458 11.427 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.599 -8.494 11.907 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.080 -7.701 10.389 1.00 0.00 H new ATOM 147 N THR A 10 -6.220 -11.849 8.164 1.00 0.00 N ATOM 148 CA THR A 10 -6.180 -13.229 7.652 1.00 0.00 C ATOM 149 C THR A 10 -4.911 -14.040 7.983 1.00 0.00 C ATOM 150 O THR A 10 -4.829 -15.191 7.549 1.00 0.00 O ATOM 151 CB THR A 10 -6.451 -13.230 6.137 1.00 0.00 C ATOM 152 OG1 THR A 10 -6.658 -14.553 5.707 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.308 -12.639 5.310 1.00 0.00 C ATOM 0 H THR A 10 -6.060 -11.154 7.435 1.00 0.00 H new ATOM 0 HA THR A 10 -6.970 -13.753 8.190 1.00 0.00 H new ATOM 0 HB THR A 10 -7.329 -12.604 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.106 -15.161 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.569 -12.673 4.252 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.139 -11.605 5.609 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.400 -13.218 5.478 1.00 0.00 H new ATOM 161 N TYR A 11 -3.935 -13.484 8.716 1.00 0.00 N ATOM 162 CA TYR A 11 -2.721 -14.190 9.152 1.00 0.00 C ATOM 163 C TYR A 11 -2.301 -13.790 10.575 1.00 0.00 C ATOM 164 O TYR A 11 -2.542 -12.660 11.005 1.00 0.00 O ATOM 165 CB TYR A 11 -1.551 -13.889 8.200 1.00 0.00 C ATOM 166 CG TYR A 11 -1.687 -14.386 6.772 1.00 0.00 C ATOM 167 CD1 TYR A 11 -1.660 -15.768 6.498 1.00 0.00 C ATOM 168 CD2 TYR A 11 -1.805 -13.466 5.712 1.00 0.00 C ATOM 169 CE1 TYR A 11 -1.758 -16.228 5.170 1.00 0.00 C ATOM 170 CE2 TYR A 11 -1.910 -13.921 4.383 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.878 -15.306 4.109 1.00 0.00 C ATOM 172 OH TYR A 11 -1.964 -15.755 2.828 1.00 0.00 O ATOM 0 H TYR A 11 -3.968 -12.513 9.028 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.958 -15.254 9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.405 -12.809 8.172 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.646 -14.322 8.626 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.564 -16.476 7.308 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.815 -12.406 5.919 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.741 -17.288 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.015 -13.212 3.575 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.043 -14.992 2.218 1.00 0.00 H new ATOM 182 N GLY A 12 -1.591 -14.694 11.265 1.00 0.00 N ATOM 183 CA GLY A 12 -0.932 -14.433 12.549 1.00 0.00 C ATOM 184 C GLY A 12 0.404 -13.691 12.390 1.00 0.00 C ATOM 185 O GLY A 12 0.988 -13.679 11.308 1.00 0.00 O ATOM 0 H GLY A 12 -1.457 -15.650 10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.597 -13.844 13.181 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.759 -15.379 13.063 1.00 0.00 H new ATOM 189 N VAL A 13 0.878 -13.054 13.469 1.00 0.00 N ATOM 190 CA VAL A 13 1.986 -12.084 13.438 1.00 0.00 C ATOM 191 C VAL A 13 3.381 -12.727 13.328 1.00 0.00 C ATOM 192 O VAL A 13 4.016 -13.117 14.316 1.00 0.00 O ATOM 193 CB VAL A 13 1.846 -11.021 14.553 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.821 -11.568 15.987 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.927 -9.941 14.435 1.00 0.00 C ATOM 0 H VAL A 13 0.498 -13.199 14.404 1.00 0.00 H new ATOM 0 HA VAL A 13 1.898 -11.539 12.498 1.00 0.00 H new ATOM 0 HB VAL A 13 0.859 -10.592 14.380 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.720 -10.741 16.690 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.977 -12.248 16.102 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.748 -12.104 16.188 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.800 -9.210 15.233 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.912 -10.401 14.518 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.840 -9.443 13.470 1.00 0.00 H new ATOM 205 N CYS A 14 3.864 -12.819 12.086 1.00 0.00 N ATOM 206 CA CYS A 14 5.239 -13.142 11.724 1.00 0.00 C ATOM 207 C CYS A 14 5.562 -12.679 10.295 1.00 0.00 C ATOM 208 O CYS A 14 4.686 -12.289 9.532 1.00 0.00 O ATOM 209 CB CYS A 14 5.488 -14.655 11.885 1.00 0.00 C ATOM 210 SG CYS A 14 5.052 -15.779 10.519 1.00 0.00 S ATOM 0 H CYS A 14 3.275 -12.662 11.269 1.00 0.00 H new ATOM 0 HA CYS A 14 5.907 -12.606 12.399 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.548 -14.792 12.097 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.941 -14.985 12.768 1.00 0.00 H new ATOM 215 N SER A 15 6.839 -12.760 9.923 1.00 0.00 N ATOM 216 CA SER A 15 7.270 -12.932 8.527 1.00 0.00 C ATOM 217 C SER A 15 8.599 -13.689 8.396 1.00 0.00 C ATOM 218 O SER A 15 9.017 -13.942 7.267 1.00 0.00 O ATOM 219 CB SER A 15 7.361 -11.578 7.817 1.00 0.00 C ATOM 220 OG SER A 15 7.775 -11.741 6.478 1.00 0.00 O ATOM 0 H SER A 15 7.614 -12.708 10.584 1.00 0.00 H new ATOM 0 HA SER A 15 6.508 -13.544 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.391 -11.082 7.845 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.064 -10.933 8.344 1.00 0.00 H new ATOM 0 HG SER A 15 8.237 -12.600 6.381 1.00 0.00 H new ATOM 226 N LYS A 16 9.249 -14.047 9.521 1.00 0.00 N ATOM 227 CA LYS A 16 10.555 -14.703 9.644 1.00 0.00 C ATOM 228 C LYS A 16 11.683 -13.971 8.901 1.00 0.00 C ATOM 229 O LYS A 16 12.526 -13.324 9.512 1.00 0.00 O ATOM 230 CB LYS A 16 10.390 -16.183 9.240 1.00 0.00 C ATOM 231 CG LYS A 16 11.665 -17.014 9.451 1.00 0.00 C ATOM 232 CD LYS A 16 11.534 -18.422 8.850 1.00 0.00 C ATOM 233 CE LYS A 16 11.578 -18.367 7.317 1.00 0.00 C ATOM 234 NZ LYS A 16 11.492 -19.710 6.706 1.00 0.00 N ATOM 0 H LYS A 16 8.837 -13.868 10.437 1.00 0.00 H new ATOM 0 HA LYS A 16 10.884 -14.659 10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.578 -16.623 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.099 -16.236 8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.512 -16.502 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.876 -17.092 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.340 -19.056 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.598 -18.875 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.755 -17.751 6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.502 -17.884 6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.793 -19.659 5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.112 -20.367 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.511 -20.051 6.754 1.00 0.00 H new ATOM 248 N ALA A 17 11.711 -14.105 7.581 1.00 0.00 N ATOM 249 CA ALA A 17 12.834 -13.809 6.715 1.00 0.00 C ATOM 250 C ALA A 17 12.803 -12.371 6.167 1.00 0.00 C ATOM 251 O ALA A 17 12.559 -12.161 4.983 1.00 0.00 O ATOM 252 CB ALA A 17 12.822 -14.878 5.619 1.00 0.00 C ATOM 0 H ALA A 17 10.901 -14.443 7.061 1.00 0.00 H new ATOM 0 HA ALA A 17 13.772 -13.846 7.269 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.651 -14.705 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 17 12.926 -15.864 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.881 -14.827 5.071 1.00 0.00 H new ATOM 258 N PHE A 18 13.120 -11.379 7.007 1.00 0.00 N ATOM 259 CA PHE A 18 13.415 -10.008 6.572 1.00 0.00 C ATOM 260 C PHE A 18 14.690 -9.479 7.239 1.00 0.00 C ATOM 261 O PHE A 18 14.978 -9.792 8.394 1.00 0.00 O ATOM 262 CB PHE A 18 12.243 -9.059 6.887 1.00 0.00 C ATOM 263 CG PHE A 18 11.251 -8.808 5.764 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.654 -8.123 4.600 1.00 0.00 C ATOM 265 CD2 PHE A 18 9.896 -9.148 5.930 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.707 -7.750 3.629 1.00 0.00 C ATOM 267 CE2 PHE A 18 8.950 -8.781 4.958 1.00 0.00 C ATOM 268 CZ PHE A 18 9.349 -8.063 3.817 1.00 0.00 C ATOM 0 H PHE A 18 13.180 -11.506 8.017 1.00 0.00 H new ATOM 0 HA PHE A 18 13.565 -10.040 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 18 11.697 -9.463 7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 18 12.656 -8.099 7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.697 -7.883 4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.582 -9.693 6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 18 11.023 -7.224 2.740 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.913 -9.051 5.088 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.615 -7.753 3.088 1.00 0.00 H new ATOM 278 N LYS A 19 15.403 -8.601 6.525 1.00 0.00 N ATOM 279 CA LYS A 19 16.541 -7.818 7.018 1.00 0.00 C ATOM 280 C LYS A 19 16.452 -6.379 6.488 1.00 0.00 C ATOM 281 O LYS A 19 16.129 -6.179 5.318 1.00 0.00 O ATOM 282 CB LYS A 19 17.836 -8.540 6.584 1.00 0.00 C ATOM 283 CG LYS A 19 19.070 -7.636 6.622 1.00 0.00 C ATOM 284 CD LYS A 19 20.369 -8.328 6.194 1.00 0.00 C ATOM 285 CE LYS A 19 21.523 -7.319 6.054 1.00 0.00 C ATOM 286 NZ LYS A 19 21.201 -6.225 5.106 1.00 0.00 N ATOM 0 H LYS A 19 15.193 -8.409 5.545 1.00 0.00 H new ATOM 0 HA LYS A 19 16.536 -7.745 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.002 -9.398 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.708 -8.927 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.898 -6.778 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.193 -7.251 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.636 -9.089 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.214 -8.840 5.244 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.752 -6.894 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.419 -7.839 5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.071 -5.710 4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.781 -6.626 4.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.524 -5.570 5.548 1.00 0.00 H new ATOM 300 N PHE A 20 16.804 -5.388 7.316 1.00 0.00 N ATOM 301 CA PHE A 20 17.071 -4.010 6.883 1.00 0.00 C ATOM 302 C PHE A 20 18.261 -3.970 5.904 1.00 0.00 C ATOM 303 O PHE A 20 19.339 -4.487 6.211 1.00 0.00 O ATOM 304 CB PHE A 20 17.402 -3.124 8.099 1.00 0.00 C ATOM 305 CG PHE A 20 16.235 -2.613 8.926 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.429 -1.572 8.425 1.00 0.00 C ATOM 307 CD2 PHE A 20 16.032 -3.076 10.243 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.445 -0.982 9.241 1.00 0.00 C ATOM 309 CE2 PHE A 20 15.045 -2.488 11.054 1.00 0.00 C ATOM 310 CZ PHE A 20 14.260 -1.433 10.558 1.00 0.00 C ATOM 0 H PHE A 20 16.913 -5.523 8.321 1.00 0.00 H new ATOM 0 HA PHE A 20 16.177 -3.636 6.384 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.061 -3.689 8.758 1.00 0.00 H new ATOM 0 HB3 PHE A 20 17.967 -2.262 7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.566 -1.225 7.411 1.00 0.00 H new ATOM 0 HD2 PHE A 20 16.636 -3.884 10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.832 -0.182 8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.890 -2.848 12.060 1.00 0.00 H new ATOM 0 HZ PHE A 20 13.516 -0.970 11.189 1.00 0.00 H new ATOM 320 N LEU A 21 18.091 -3.331 4.743 1.00 0.00 N ATOM 321 CA LEU A 21 19.155 -3.133 3.749 1.00 0.00 C ATOM 322 C LEU A 21 19.466 -1.647 3.494 1.00 0.00 C ATOM 323 O LEU A 21 20.607 -1.325 3.173 1.00 0.00 O ATOM 324 CB LEU A 21 18.788 -3.908 2.469 1.00 0.00 C ATOM 325 CG LEU A 21 19.836 -3.848 1.336 1.00 0.00 C ATOM 326 CD1 LEU A 21 21.240 -4.307 1.753 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.387 -4.760 0.194 1.00 0.00 C ATOM 0 H LEU A 21 17.197 -2.930 4.461 1.00 0.00 H new ATOM 0 HA LEU A 21 20.089 -3.535 4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 21 18.621 -4.953 2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.843 -3.521 2.088 1.00 0.00 H new ATOM 0 HG LEU A 21 19.900 -2.799 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 21 21.915 -4.234 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 21 21.605 -3.672 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 21 21.198 -5.341 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.121 -4.724 -0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 21 19.299 -5.783 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 21 18.420 -4.424 -0.181 1.00 0.00 H new ATOM 339 N GLY A 22 18.503 -0.745 3.709 1.00 0.00 N ATOM 340 CA GLY A 22 18.677 0.700 3.561 1.00 0.00 C ATOM 341 C GLY A 22 17.994 1.453 4.698 1.00 0.00 C ATOM 342 O GLY A 22 16.797 1.284 4.934 1.00 0.00 O ATOM 0 H GLY A 22 17.560 -1.007 3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.740 0.942 3.547 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.263 1.024 2.606 1.00 0.00 H new ATOM 346 N THR A 23 18.773 2.277 5.403 1.00 0.00 N ATOM 347 CA THR A 23 18.334 3.080 6.550 1.00 0.00 C ATOM 348 C THR A 23 17.257 4.096 6.144 1.00 0.00 C ATOM 349 O THR A 23 17.387 4.670 5.060 1.00 0.00 O ATOM 350 CB THR A 23 19.528 3.854 7.128 1.00 0.00 C ATOM 351 OG1 THR A 23 20.045 4.719 6.140 1.00 0.00 O ATOM 352 CG2 THR A 23 20.662 2.929 7.577 1.00 0.00 C ATOM 0 H THR A 23 19.761 2.409 5.185 1.00 0.00 H new ATOM 0 HA THR A 23 17.919 2.396 7.291 1.00 0.00 H new ATOM 0 HB THR A 23 19.163 4.403 7.996 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.806 5.216 6.506 1.00 0.00 H new ATOM 0 HG21 THR A 23 21.481 3.526 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.295 2.252 8.348 1.00 0.00 H new ATOM 0 HG23 THR A 23 21.018 2.350 6.725 1.00 0.00 H new ATOM 360 N PRO A 24 16.253 4.394 6.995 1.00 0.00 N ATOM 361 CA PRO A 24 15.202 5.359 6.674 1.00 0.00 C ATOM 362 C PRO A 24 15.700 6.757 6.268 1.00 0.00 C ATOM 363 O PRO A 24 16.689 7.256 6.810 1.00 0.00 O ATOM 364 CB PRO A 24 14.314 5.442 7.923 1.00 0.00 C ATOM 365 CG PRO A 24 14.600 4.161 8.704 1.00 0.00 C ATOM 366 CD PRO A 24 16.025 3.797 8.303 1.00 0.00 C ATOM 0 HA PRO A 24 14.669 5.011 5.789 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.550 6.326 8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.260 5.512 7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.516 4.321 9.779 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.897 3.369 8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.742 4.175 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 24 16.152 2.715 8.263 1.00 0.00 H new ATOM 374 N ALA A 25 14.943 7.421 5.388 1.00 0.00 N ATOM 375 CA ALA A 25 15.072 8.840 5.048 1.00 0.00 C ATOM 376 C ALA A 25 13.687 9.485 4.852 1.00 0.00 C ATOM 377 O ALA A 25 12.857 8.944 4.118 1.00 0.00 O ATOM 378 CB ALA A 25 15.937 8.971 3.789 1.00 0.00 C ATOM 0 H ALA A 25 14.192 6.963 4.872 1.00 0.00 H new ATOM 0 HA ALA A 25 15.556 9.371 5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.040 10.024 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 25 16.923 8.546 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.464 8.436 2.965 1.00 0.00 H new ATOM 384 N ASP A 26 13.418 10.612 5.534 1.00 0.00 N ATOM 385 CA ASP A 26 12.146 11.345 5.425 1.00 0.00 C ATOM 386 C ASP A 26 11.954 11.913 4.004 1.00 0.00 C ATOM 387 O ASP A 26 12.864 12.510 3.428 1.00 0.00 O ATOM 388 CB ASP A 26 12.052 12.436 6.511 1.00 0.00 C ATOM 389 CG ASP A 26 10.634 13.011 6.685 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.127 13.606 5.706 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.078 12.881 7.808 1.00 0.00 O ATOM 0 H ASP A 26 14.081 11.042 6.179 1.00 0.00 H new ATOM 0 HA ASP A 26 11.327 10.647 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.386 12.020 7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.736 13.247 6.260 1.00 0.00 H new ATOM 396 N THR A 27 10.767 11.704 3.431 1.00 0.00 N ATOM 397 CA THR A 27 10.399 12.089 2.062 1.00 0.00 C ATOM 398 C THR A 27 10.057 13.570 1.905 1.00 0.00 C ATOM 399 O THR A 27 9.817 14.013 0.780 1.00 0.00 O ATOM 400 CB THR A 27 9.174 11.282 1.597 1.00 0.00 C ATOM 401 OG1 THR A 27 8.075 11.556 2.446 1.00 0.00 O ATOM 402 CG2 THR A 27 9.461 9.780 1.563 1.00 0.00 C ATOM 0 H THR A 27 10.003 11.243 3.926 1.00 0.00 H new ATOM 0 HA THR A 27 11.281 11.879 1.457 1.00 0.00 H new ATOM 0 HB THR A 27 8.934 11.588 0.579 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.358 10.911 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.571 9.247 1.230 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.282 9.582 0.874 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.735 9.439 2.561 1.00 0.00 H new ATOM 410 N GLY A 28 9.926 14.331 3.001 1.00 0.00 N ATOM 411 CA GLY A 28 9.355 15.679 2.983 1.00 0.00 C ATOM 412 C GLY A 28 7.845 15.712 2.693 1.00 0.00 C ATOM 413 O GLY A 28 7.248 16.783 2.732 1.00 0.00 O ATOM 0 H GLY A 28 10.216 14.023 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.541 16.155 3.946 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.873 16.272 2.229 1.00 0.00 H new ATOM 417 N HIS A 29 7.220 14.555 2.433 1.00 0.00 N ATOM 418 CA HIS A 29 5.792 14.395 2.140 1.00 0.00 C ATOM 419 C HIS A 29 5.020 13.841 3.353 1.00 0.00 C ATOM 420 O HIS A 29 3.832 13.541 3.249 1.00 0.00 O ATOM 421 CB HIS A 29 5.625 13.500 0.897 1.00 0.00 C ATOM 422 CG HIS A 29 6.155 14.102 -0.385 1.00 0.00 C ATOM 423 ND1 HIS A 29 7.475 14.350 -0.707 1.00 0.00 N ATOM 424 CD2 HIS A 29 5.394 14.488 -1.456 1.00 0.00 C ATOM 425 CE1 HIS A 29 7.498 14.886 -1.939 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.255 14.989 -2.436 1.00 0.00 N ATOM 0 H HIS A 29 7.720 13.666 2.421 1.00 0.00 H new ATOM 0 HA HIS A 29 5.363 15.374 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.134 12.553 1.076 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.567 13.274 0.767 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.285 14.161 -0.117 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.319 14.418 -1.530 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.394 15.192 -2.458 1.00 0.00 H new ATOM 434 N GLY A 30 5.691 13.701 4.506 1.00 0.00 N ATOM 435 CA GLY A 30 5.134 13.139 5.738 1.00 0.00 C ATOM 436 C GLY A 30 5.423 11.647 5.931 1.00 0.00 C ATOM 437 O GLY A 30 4.795 11.023 6.783 1.00 0.00 O ATOM 0 H GLY A 30 6.665 13.985 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.535 13.689 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.055 13.292 5.739 1.00 0.00 H new ATOM 441 N THR A 31 6.353 11.070 5.158 1.00 0.00 N ATOM 442 CA THR A 31 6.716 9.644 5.186 1.00 0.00 C ATOM 443 C THR A 31 8.238 9.450 5.303 1.00 0.00 C ATOM 444 O THR A 31 9.000 10.398 5.145 1.00 0.00 O ATOM 445 CB THR A 31 6.141 8.906 3.965 1.00 0.00 C ATOM 446 OG1 THR A 31 6.612 9.461 2.760 1.00 0.00 O ATOM 447 CG2 THR A 31 4.611 8.956 3.938 1.00 0.00 C ATOM 0 H THR A 31 6.892 11.599 4.473 1.00 0.00 H new ATOM 0 HA THR A 31 6.270 9.204 6.078 1.00 0.00 H new ATOM 0 HB THR A 31 6.473 7.872 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.343 8.890 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.245 8.423 3.060 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.216 8.486 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.282 9.994 3.896 1.00 0.00 H new ATOM 455 N VAL A 32 8.700 8.224 5.578 1.00 0.00 N ATOM 456 CA VAL A 32 10.092 7.772 5.426 1.00 0.00 C ATOM 457 C VAL A 32 10.126 6.670 4.382 1.00 0.00 C ATOM 458 O VAL A 32 9.379 5.700 4.504 1.00 0.00 O ATOM 459 CB VAL A 32 10.756 7.213 6.712 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.534 8.276 7.497 1.00 0.00 C ATOM 461 CG2 VAL A 32 9.816 6.425 7.636 1.00 0.00 C ATOM 0 H VAL A 32 8.089 7.486 5.928 1.00 0.00 H new ATOM 0 HA VAL A 32 10.658 8.661 5.147 1.00 0.00 H new ATOM 0 HB VAL A 32 11.472 6.486 6.329 1.00 0.00 H new ATOM 0 HG11 VAL A 32 11.975 7.823 8.385 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.325 8.686 6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.857 9.076 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.371 6.075 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.000 7.070 7.961 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.409 5.569 7.097 1.00 0.00 H new ATOM 471 N VAL A 33 11.038 6.786 3.415 1.00 0.00 N ATOM 472 CA VAL A 33 11.486 5.650 2.603 1.00 0.00 C ATOM 473 C VAL A 33 12.577 4.895 3.367 1.00 0.00 C ATOM 474 O VAL A 33 13.569 5.500 3.772 1.00 0.00 O ATOM 475 CB VAL A 33 11.988 6.084 1.207 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.805 6.250 0.246 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.845 7.358 1.179 1.00 0.00 C ATOM 0 H VAL A 33 11.487 7.669 3.172 1.00 0.00 H new ATOM 0 HA VAL A 33 10.633 4.994 2.429 1.00 0.00 H new ATOM 0 HB VAL A 33 12.649 5.277 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.172 6.556 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.274 5.302 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.126 7.010 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.144 7.573 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.266 8.194 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.734 7.212 1.793 1.00 0.00 H new ATOM 487 N LEU A 34 12.396 3.586 3.580 1.00 0.00 N ATOM 488 CA LEU A 34 13.420 2.677 4.113 1.00 0.00 C ATOM 489 C LEU A 34 13.405 1.345 3.354 1.00 0.00 C ATOM 490 O LEU A 34 12.383 0.968 2.785 1.00 0.00 O ATOM 491 CB LEU A 34 13.287 2.553 5.647 1.00 0.00 C ATOM 492 CG LEU A 34 12.285 1.587 6.312 1.00 0.00 C ATOM 493 CD1 LEU A 34 10.838 1.747 5.853 1.00 0.00 C ATOM 494 CD2 LEU A 34 12.690 0.118 6.211 1.00 0.00 C ATOM 0 H LEU A 34 11.512 3.117 3.382 1.00 0.00 H new ATOM 0 HA LEU A 34 14.414 3.091 3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.274 2.290 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.057 3.550 6.023 1.00 0.00 H new ATOM 0 HG LEU A 34 12.328 1.890 7.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.209 1.026 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.495 2.757 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.776 1.572 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.938 -0.501 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.768 -0.167 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.654 -0.028 6.699 1.00 0.00 H new ATOM 506 N GLU A 35 14.528 0.623 3.310 1.00 0.00 N ATOM 507 CA GLU A 35 14.674 -0.540 2.427 1.00 0.00 C ATOM 508 C GLU A 35 14.947 -1.820 3.219 1.00 0.00 C ATOM 509 O GLU A 35 15.816 -1.847 4.098 1.00 0.00 O ATOM 510 CB GLU A 35 15.772 -0.279 1.384 1.00 0.00 C ATOM 511 CG GLU A 35 15.631 -1.201 0.173 1.00 0.00 C ATOM 512 CD GLU A 35 16.874 -1.171 -0.706 1.00 0.00 C ATOM 513 OE1 GLU A 35 16.976 -0.307 -1.608 1.00 0.00 O ATOM 514 OE2 GLU A 35 17.709 -2.097 -0.581 1.00 0.00 O ATOM 0 H GLU A 35 15.352 0.823 3.877 1.00 0.00 H new ATOM 0 HA GLU A 35 13.730 -0.689 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.725 0.760 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.751 -0.425 1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.449 -2.221 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.763 -0.901 -0.414 1.00 0.00 H new ATOM 521 N LEU A 36 14.238 -2.897 2.860 1.00 0.00 N ATOM 522 CA LEU A 36 14.454 -4.238 3.398 1.00 0.00 C ATOM 523 C LEU A 36 14.702 -5.250 2.271 1.00 0.00 C ATOM 524 O LEU A 36 14.362 -5.028 1.109 1.00 0.00 O ATOM 525 CB LEU A 36 13.253 -4.673 4.261 1.00 0.00 C ATOM 526 CG LEU A 36 13.053 -3.849 5.553 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.704 -3.133 5.524 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.070 -4.733 6.805 1.00 0.00 C ATOM 0 H LEU A 36 13.484 -2.856 2.174 1.00 0.00 H new ATOM 0 HA LEU A 36 15.343 -4.211 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.347 -4.605 3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.378 -5.722 4.531 1.00 0.00 H new ATOM 0 HG LEU A 36 13.877 -3.137 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.578 -2.557 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.667 -2.462 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.903 -3.868 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.926 -4.113 7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.268 -5.468 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.029 -5.247 6.874 1.00 0.00 H new ATOM 540 N GLN A 37 15.248 -6.404 2.650 1.00 0.00 N ATOM 541 CA GLN A 37 15.388 -7.578 1.797 1.00 0.00 C ATOM 542 C GLN A 37 14.772 -8.802 2.484 1.00 0.00 C ATOM 543 O GLN A 37 14.947 -8.995 3.692 1.00 0.00 O ATOM 544 CB GLN A 37 16.863 -7.768 1.404 1.00 0.00 C ATOM 545 CG GLN A 37 17.765 -8.185 2.579 1.00 0.00 C ATOM 546 CD GLN A 37 19.251 -8.081 2.259 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.011 -7.428 2.963 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.727 -8.722 1.209 1.00 0.00 N ATOM 0 H GLN A 37 15.616 -6.550 3.590 1.00 0.00 H new ATOM 0 HA GLN A 37 14.837 -7.438 0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.927 -8.524 0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.240 -6.837 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.541 -7.558 3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.531 -9.211 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 37 19.100 -9.268 0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.722 -8.672 0.988 1.00 0.00 H new ATOM 557 N TYR A 38 14.033 -9.609 1.719 1.00 0.00 N ATOM 558 CA TYR A 38 13.341 -10.800 2.214 1.00 0.00 C ATOM 559 C TYR A 38 14.261 -12.027 2.129 1.00 0.00 C ATOM 560 O TYR A 38 14.434 -12.631 1.070 1.00 0.00 O ATOM 561 CB TYR A 38 12.032 -10.980 1.445 1.00 0.00 C ATOM 562 CG TYR A 38 11.046 -11.951 2.075 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.230 -13.346 1.997 1.00 0.00 C ATOM 564 CD2 TYR A 38 9.929 -11.438 2.755 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.316 -14.221 2.622 1.00 0.00 C ATOM 566 CE2 TYR A 38 9.019 -12.300 3.385 1.00 0.00 C ATOM 567 CZ TYR A 38 9.212 -13.693 3.331 1.00 0.00 C ATOM 568 OH TYR A 38 8.321 -14.501 3.964 1.00 0.00 O ATOM 0 H TYR A 38 13.897 -9.450 0.721 1.00 0.00 H new ATOM 0 HA TYR A 38 13.088 -10.679 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.549 -10.008 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.264 -11.324 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.074 -13.747 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.769 -10.371 2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.459 -15.290 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.169 -11.894 3.913 1.00 0.00 H new ATOM 0 HH TYR A 38 8.773 -15.319 4.258 1.00 0.00 H new ATOM 578 N THR A 39 14.907 -12.371 3.244 1.00 0.00 N ATOM 579 CA THR A 39 16.033 -13.315 3.349 1.00 0.00 C ATOM 580 C THR A 39 15.608 -14.796 3.284 1.00 0.00 C ATOM 581 O THR A 39 16.055 -15.597 4.107 1.00 0.00 O ATOM 582 CB THR A 39 16.823 -13.040 4.646 1.00 0.00 C ATOM 583 OG1 THR A 39 16.021 -13.330 5.767 1.00 0.00 O ATOM 584 CG2 THR A 39 17.320 -11.600 4.780 1.00 0.00 C ATOM 0 H THR A 39 14.649 -11.980 4.150 1.00 0.00 H new ATOM 0 HA THR A 39 16.666 -13.146 2.478 1.00 0.00 H new ATOM 0 HB THR A 39 17.699 -13.686 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.529 -13.155 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 39 17.865 -11.489 5.717 1.00 0.00 H new ATOM 0 HG22 THR A 39 17.981 -11.364 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.469 -10.919 4.772 1.00 0.00 H new ATOM 592 N GLY A 40 14.699 -15.173 2.376 1.00 0.00 N ATOM 593 CA GLY A 40 14.131 -16.525 2.337 1.00 0.00 C ATOM 594 C GLY A 40 13.081 -16.751 1.246 1.00 0.00 C ATOM 595 O GLY A 40 12.787 -15.864 0.445 1.00 0.00 O ATOM 0 H GLY A 40 14.338 -14.552 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.941 -17.240 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.680 -16.742 3.305 1.00 0.00 H new ATOM 599 N THR A 41 12.518 -17.965 1.225 1.00 0.00 N ATOM 600 CA THR A 41 11.685 -18.504 0.133 1.00 0.00 C ATOM 601 C THR A 41 10.235 -18.800 0.533 1.00 0.00 C ATOM 602 O THR A 41 9.471 -19.295 -0.291 1.00 0.00 O ATOM 603 CB THR A 41 12.339 -19.768 -0.448 1.00 0.00 C ATOM 604 OG1 THR A 41 12.633 -20.689 0.583 1.00 0.00 O ATOM 605 CG2 THR A 41 13.644 -19.436 -1.177 1.00 0.00 C ATOM 0 H THR A 41 12.631 -18.626 1.994 1.00 0.00 H new ATOM 0 HA THR A 41 11.632 -17.718 -0.620 1.00 0.00 H new ATOM 0 HB THR A 41 11.630 -20.201 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.047 -21.489 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.081 -20.351 -1.576 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.438 -18.746 -1.995 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.343 -18.974 -0.480 1.00 0.00 H new ATOM 613 N ASP A 42 9.856 -18.540 1.786 1.00 0.00 N ATOM 614 CA ASP A 42 8.592 -18.962 2.396 1.00 0.00 C ATOM 615 C ASP A 42 8.051 -17.932 3.408 1.00 0.00 C ATOM 616 O ASP A 42 8.736 -16.964 3.746 1.00 0.00 O ATOM 617 CB ASP A 42 8.828 -20.321 3.080 1.00 0.00 C ATOM 618 CG ASP A 42 9.766 -20.204 4.287 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.967 -19.885 4.108 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.294 -20.392 5.432 1.00 0.00 O ATOM 0 H ASP A 42 10.444 -18.009 2.429 1.00 0.00 H new ATOM 0 HA ASP A 42 7.835 -19.045 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.873 -20.735 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.251 -21.021 2.359 1.00 0.00 H new ATOM 625 N GLY A 43 6.836 -18.170 3.922 1.00 0.00 N ATOM 626 CA GLY A 43 6.259 -17.483 5.084 1.00 0.00 C ATOM 627 C GLY A 43 5.105 -16.480 4.854 1.00 0.00 C ATOM 628 O GLY A 43 5.176 -15.408 5.453 1.00 0.00 O ATOM 0 H GLY A 43 6.208 -18.869 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.901 -18.246 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.066 -16.950 5.587 1.00 0.00 H new ATOM 632 N PRO A 44 4.031 -16.788 4.086 1.00 0.00 N ATOM 633 CA PRO A 44 2.771 -16.024 4.103 1.00 0.00 C ATOM 634 C PRO A 44 2.250 -15.751 5.529 1.00 0.00 C ATOM 635 O PRO A 44 1.833 -16.684 6.218 1.00 0.00 O ATOM 636 CB PRO A 44 1.761 -16.836 3.280 1.00 0.00 C ATOM 637 CG PRO A 44 2.644 -17.655 2.348 1.00 0.00 C ATOM 638 CD PRO A 44 3.894 -17.923 3.184 1.00 0.00 C ATOM 0 HA PRO A 44 2.931 -15.035 3.675 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.146 -17.474 3.915 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.082 -16.189 2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.157 -18.582 2.046 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.881 -17.107 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.797 -18.854 3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.774 -18.023 2.548 1.00 0.00 H new ATOM 646 N CYS A 45 2.350 -14.506 6.013 1.00 0.00 N ATOM 647 CA CYS A 45 2.195 -14.178 7.437 1.00 0.00 C ATOM 648 C CYS A 45 2.009 -12.655 7.680 1.00 0.00 C ATOM 649 O CYS A 45 2.267 -11.839 6.788 1.00 0.00 O ATOM 650 CB CYS A 45 3.428 -14.750 8.163 1.00 0.00 C ATOM 651 SG CYS A 45 3.187 -15.254 9.887 1.00 0.00 S ATOM 0 H CYS A 45 2.541 -13.694 5.426 1.00 0.00 H new ATOM 0 HA CYS A 45 1.284 -14.626 7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.785 -15.613 7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.220 -14.001 8.134 1.00 0.00 H new ATOM 656 N LYS A 46 1.559 -12.235 8.877 1.00 0.00 N ATOM 657 CA LYS A 46 1.355 -10.812 9.228 1.00 0.00 C ATOM 658 C LYS A 46 2.675 -10.141 9.655 1.00 0.00 C ATOM 659 O LYS A 46 3.054 -10.189 10.824 1.00 0.00 O ATOM 660 CB LYS A 46 0.169 -10.661 10.205 1.00 0.00 C ATOM 661 CG LYS A 46 0.157 -9.427 11.127 1.00 0.00 C ATOM 662 CD LYS A 46 -1.250 -9.135 11.672 1.00 0.00 C ATOM 663 CE LYS A 46 -1.973 -8.040 10.880 1.00 0.00 C ATOM 664 NZ LYS A 46 -2.015 -8.319 9.430 1.00 0.00 N ATOM 0 H LYS A 46 1.324 -12.876 9.635 1.00 0.00 H new ATOM 0 HA LYS A 46 1.058 -10.249 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.750 -10.651 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.137 -11.551 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.843 -9.588 11.959 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.521 -8.559 10.577 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.843 -10.049 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.176 -8.834 12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.991 -7.937 11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.474 -7.086 11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.391 -7.490 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.055 -8.524 9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.629 -9.140 9.252 1.00 0.00 H new ATOM 678 N VAL A 47 3.376 -9.548 8.677 1.00 0.00 N ATOM 679 CA VAL A 47 4.725 -8.970 8.809 1.00 0.00 C ATOM 680 C VAL A 47 4.852 -7.962 9.965 1.00 0.00 C ATOM 681 O VAL A 47 4.248 -6.892 9.916 1.00 0.00 O ATOM 682 CB VAL A 47 5.269 -8.406 7.476 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.349 -7.411 6.759 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.647 -7.748 7.643 1.00 0.00 C ATOM 0 H VAL A 47 3.004 -9.453 7.732 1.00 0.00 H new ATOM 0 HA VAL A 47 5.368 -9.808 9.077 1.00 0.00 H new ATOM 0 HB VAL A 47 5.337 -9.295 6.849 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.823 -7.076 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.401 -7.896 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.167 -6.552 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.987 -7.367 6.680 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.573 -6.925 8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.359 -8.485 8.014 1.00 0.00 H new ATOM 694 N PRO A 48 5.649 -8.262 11.007 1.00 0.00 N ATOM 695 CA PRO A 48 5.809 -7.392 12.161 1.00 0.00 C ATOM 696 C PRO A 48 6.748 -6.218 11.846 1.00 0.00 C ATOM 697 O PRO A 48 7.941 -6.258 12.143 1.00 0.00 O ATOM 698 CB PRO A 48 6.343 -8.310 13.257 1.00 0.00 C ATOM 699 CG PRO A 48 7.212 -9.298 12.484 1.00 0.00 C ATOM 700 CD PRO A 48 6.406 -9.489 11.205 1.00 0.00 C ATOM 0 HA PRO A 48 4.878 -6.916 12.468 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.921 -7.759 13.999 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.537 -8.813 13.790 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.206 -8.899 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.347 -10.234 13.026 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.064 -9.680 10.357 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.739 -10.347 11.291 1.00 0.00 H new ATOM 708 N ILE A 49 6.196 -5.155 11.260 1.00 0.00 N ATOM 709 CA ILE A 49 6.856 -3.859 11.078 1.00 0.00 C ATOM 710 C ILE A 49 5.987 -2.750 11.689 1.00 0.00 C ATOM 711 O ILE A 49 4.758 -2.837 11.659 1.00 0.00 O ATOM 712 CB ILE A 49 7.232 -3.641 9.592 1.00 0.00 C ATOM 713 CG1 ILE A 49 8.042 -2.336 9.424 1.00 0.00 C ATOM 714 CG2 ILE A 49 6.006 -3.652 8.661 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.813 -2.243 8.100 1.00 0.00 C ATOM 0 H ILE A 49 5.247 -5.171 10.887 1.00 0.00 H new ATOM 0 HA ILE A 49 7.804 -3.833 11.615 1.00 0.00 H new ATOM 0 HB ILE A 49 7.855 -4.484 9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.362 -1.487 9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.748 -2.250 10.250 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.329 -3.495 7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.499 -4.613 8.739 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.321 -2.856 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.355 -1.298 8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.520 -3.070 8.032 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.112 -2.295 7.267 1.00 0.00 H new ATOM 727 N SER A 50 6.623 -1.723 12.266 1.00 0.00 N ATOM 728 CA SER A 50 5.969 -0.660 13.040 1.00 0.00 C ATOM 729 C SER A 50 6.668 0.703 12.894 1.00 0.00 C ATOM 730 O SER A 50 7.836 0.779 12.507 1.00 0.00 O ATOM 731 CB SER A 50 5.968 -1.093 14.506 1.00 0.00 C ATOM 732 OG SER A 50 5.309 -0.153 15.323 1.00 0.00 O ATOM 0 H SER A 50 7.634 -1.605 12.206 1.00 0.00 H new ATOM 0 HA SER A 50 4.956 -0.523 12.660 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.480 -2.063 14.599 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.995 -1.219 14.850 1.00 0.00 H new ATOM 0 HG SER A 50 5.896 0.105 16.064 1.00 0.00 H new ATOM 738 N SER A 51 5.947 1.775 13.249 1.00 0.00 N ATOM 739 CA SER A 51 6.404 3.168 13.282 1.00 0.00 C ATOM 740 C SER A 51 5.801 3.894 14.492 1.00 0.00 C ATOM 741 O SER A 51 4.587 4.116 14.539 1.00 0.00 O ATOM 742 CB SER A 51 6.006 3.895 11.992 1.00 0.00 C ATOM 743 OG SER A 51 6.601 5.176 11.996 1.00 0.00 O ATOM 0 H SER A 51 4.973 1.686 13.537 1.00 0.00 H new ATOM 0 HA SER A 51 7.491 3.171 13.367 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.335 3.328 11.121 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.921 3.982 11.925 1.00 0.00 H new ATOM 0 HG SER A 51 5.958 5.836 11.663 1.00 0.00 H new ATOM 749 N VAL A 52 6.628 4.242 15.484 1.00 0.00 N ATOM 750 CA VAL A 52 6.201 4.918 16.725 1.00 0.00 C ATOM 751 C VAL A 52 7.201 5.997 17.164 1.00 0.00 C ATOM 752 O VAL A 52 8.282 6.110 16.597 1.00 0.00 O ATOM 753 CB VAL A 52 5.938 3.898 17.852 1.00 0.00 C ATOM 754 CG1 VAL A 52 4.713 3.030 17.559 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.151 3.008 18.142 1.00 0.00 C ATOM 0 H VAL A 52 7.631 4.061 15.451 1.00 0.00 H new ATOM 0 HA VAL A 52 5.261 5.426 16.510 1.00 0.00 H new ATOM 0 HB VAL A 52 5.741 4.491 18.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.562 2.325 18.377 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.832 3.665 17.460 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.870 2.481 16.631 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.907 2.311 18.943 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.416 2.450 17.244 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.994 3.629 18.445 1.00 0.00 H new ATOM 765 N ALA A 53 6.848 6.820 18.160 1.00 0.00 N ATOM 766 CA ALA A 53 7.622 8.018 18.526 1.00 0.00 C ATOM 767 C ALA A 53 8.445 7.870 19.819 1.00 0.00 C ATOM 768 O ALA A 53 9.190 8.769 20.205 1.00 0.00 O ATOM 769 CB ALA A 53 6.688 9.240 18.557 1.00 0.00 C ATOM 0 H ALA A 53 6.018 6.676 18.736 1.00 0.00 H new ATOM 0 HA ALA A 53 8.378 8.164 17.754 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.259 10.128 18.828 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.242 9.382 17.573 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.900 9.077 19.292 1.00 0.00 H new ATOM 775 N SER A 54 8.323 6.748 20.532 1.00 0.00 N ATOM 776 CA SER A 54 9.071 6.475 21.768 1.00 0.00 C ATOM 777 C SER A 54 9.279 4.971 21.991 1.00 0.00 C ATOM 778 O SER A 54 9.307 4.513 23.130 1.00 0.00 O ATOM 779 CB SER A 54 8.348 7.145 22.945 1.00 0.00 C ATOM 780 OG SER A 54 8.382 8.550 22.771 1.00 0.00 O ATOM 0 H SER A 54 7.694 5.991 20.266 1.00 0.00 H new ATOM 0 HA SER A 54 10.071 6.899 21.683 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.316 6.798 22.999 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.826 6.871 23.885 1.00 0.00 H new ATOM 0 HG SER A 54 8.953 8.771 22.006 1.00 0.00 H new ATOM 786 N LEU A 55 9.382 4.195 20.897 1.00 0.00 N ATOM 787 CA LEU A 55 9.440 2.720 20.897 1.00 0.00 C ATOM 788 C LEU A 55 8.227 2.081 21.622 1.00 0.00 C ATOM 789 O LEU A 55 8.276 0.969 22.143 1.00 0.00 O ATOM 790 CB LEU A 55 10.843 2.272 21.380 1.00 0.00 C ATOM 791 CG LEU A 55 11.543 1.301 20.408 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.053 1.276 20.663 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.006 -0.124 20.536 1.00 0.00 C ATOM 0 H LEU A 55 9.429 4.589 19.957 1.00 0.00 H new ATOM 0 HA LEU A 55 9.331 2.332 19.884 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.470 3.153 21.517 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.748 1.793 22.355 1.00 0.00 H new ATOM 0 HG LEU A 55 11.337 1.666 19.402 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.528 0.585 19.967 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.463 2.276 20.519 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.244 0.950 21.685 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.527 -0.774 19.833 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.168 -0.484 21.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.939 -0.132 20.314 1.00 0.00 H new ATOM 805 N ASN A 56 7.115 2.823 21.657 1.00 0.00 N ATOM 806 CA ASN A 56 5.875 2.551 22.370 1.00 0.00 C ATOM 807 C ASN A 56 4.860 1.777 21.501 1.00 0.00 C ATOM 808 O ASN A 56 3.698 2.171 21.395 1.00 0.00 O ATOM 809 CB ASN A 56 5.344 3.905 22.884 1.00 0.00 C ATOM 810 CG ASN A 56 5.022 4.892 21.764 1.00 0.00 C ATOM 811 OD1 ASN A 56 5.902 5.397 21.075 1.00 0.00 O ATOM 812 ND2 ASN A 56 3.756 5.179 21.548 1.00 0.00 N ATOM 0 H ASN A 56 7.061 3.702 21.142 1.00 0.00 H new ATOM 0 HA ASN A 56 6.051 1.888 23.217 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.446 3.734 23.477 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.085 4.349 23.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.500 5.826 20.802 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.031 4.754 22.126 1.00 0.00 H new ATOM 819 N ASP A 57 5.285 0.666 20.887 1.00 0.00 N ATOM 820 CA ASP A 57 4.522 -0.120 19.898 1.00 0.00 C ATOM 821 C ASP A 57 3.139 -0.632 20.351 1.00 0.00 C ATOM 822 O ASP A 57 2.331 -1.022 19.511 1.00 0.00 O ATOM 823 CB ASP A 57 5.406 -1.260 19.382 1.00 0.00 C ATOM 824 CG ASP A 57 6.584 -0.678 18.605 1.00 0.00 C ATOM 825 OD1 ASP A 57 6.384 -0.392 17.402 1.00 0.00 O ATOM 826 OD2 ASP A 57 7.637 -0.456 19.236 1.00 0.00 O ATOM 0 H ASP A 57 6.207 0.270 21.070 1.00 0.00 H new ATOM 0 HA ASP A 57 4.270 0.574 19.097 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.768 -1.860 20.217 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.825 -1.923 18.741 1.00 0.00 H new ATOM 831 N LEU A 58 2.816 -0.538 21.647 1.00 0.00 N ATOM 832 CA LEU A 58 1.458 -0.668 22.185 1.00 0.00 C ATOM 833 C LEU A 58 0.470 0.418 21.694 1.00 0.00 C ATOM 834 O LEU A 58 -0.725 0.348 21.976 1.00 0.00 O ATOM 835 CB LEU A 58 1.521 -0.701 23.727 1.00 0.00 C ATOM 836 CG LEU A 58 1.904 0.642 24.402 1.00 0.00 C ATOM 837 CD1 LEU A 58 0.927 0.985 25.529 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.316 0.599 24.991 1.00 0.00 C ATOM 0 H LEU A 58 3.514 -0.364 22.371 1.00 0.00 H new ATOM 0 HA LEU A 58 1.057 -1.606 21.801 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.549 -1.016 24.108 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.243 -1.460 24.029 1.00 0.00 H new ATOM 0 HG LEU A 58 1.862 1.403 23.623 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.217 1.931 25.987 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.081 1.072 25.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.948 0.197 26.281 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.546 1.558 25.455 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.373 -0.190 25.741 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.035 0.398 24.197 1.00 0.00 H new ATOM 850 N THR A 59 0.940 1.471 21.014 1.00 0.00 N ATOM 851 CA THR A 59 0.104 2.541 20.450 1.00 0.00 C ATOM 852 C THR A 59 0.756 3.108 19.174 1.00 0.00 C ATOM 853 O THR A 59 1.632 3.968 19.281 1.00 0.00 O ATOM 854 CB THR A 59 -0.153 3.628 21.507 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.844 3.044 22.591 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.029 4.771 20.988 1.00 0.00 C ATOM 0 H THR A 59 1.935 1.607 20.836 1.00 0.00 H new ATOM 0 HA THR A 59 -0.866 2.133 20.164 1.00 0.00 H new ATOM 0 HB THR A 59 0.819 4.034 21.788 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.993 2.093 22.410 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.174 5.506 21.779 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.541 5.246 20.137 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.996 4.376 20.678 1.00 0.00 H new ATOM 864 N PRO A 60 0.366 2.629 17.971 1.00 0.00 N ATOM 865 CA PRO A 60 0.854 3.094 16.665 1.00 0.00 C ATOM 866 C PRO A 60 0.748 4.610 16.408 1.00 0.00 C ATOM 867 O PRO A 60 -0.218 5.095 15.816 1.00 0.00 O ATOM 868 CB PRO A 60 0.080 2.280 15.618 1.00 0.00 C ATOM 869 CG PRO A 60 -0.222 0.978 16.348 1.00 0.00 C ATOM 870 CD PRO A 60 -0.479 1.454 17.776 1.00 0.00 C ATOM 0 HA PRO A 60 1.931 2.931 16.617 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.832 2.788 15.306 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.674 2.110 14.720 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.089 0.468 15.928 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.614 0.280 16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.530 1.702 17.920 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.234 0.674 18.497 1.00 0.00 H new ATOM 878 N VAL A 61 1.767 5.371 16.824 1.00 0.00 N ATOM 879 CA VAL A 61 1.859 6.823 16.594 1.00 0.00 C ATOM 880 C VAL A 61 2.049 7.157 15.104 1.00 0.00 C ATOM 881 O VAL A 61 1.502 8.150 14.626 1.00 0.00 O ATOM 882 CB VAL A 61 2.975 7.483 17.438 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.667 8.975 17.624 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.150 6.861 18.832 1.00 0.00 C ATOM 0 H VAL A 61 2.563 4.993 17.337 1.00 0.00 H new ATOM 0 HA VAL A 61 0.906 7.240 16.919 1.00 0.00 H new ATOM 0 HB VAL A 61 3.900 7.322 16.885 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.455 9.438 18.219 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.616 9.460 16.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.712 9.088 18.136 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.950 7.377 19.363 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.221 6.958 19.393 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.404 5.806 18.730 1.00 0.00 H new ATOM 894 N GLY A 62 2.765 6.307 14.356 1.00 0.00 N ATOM 895 CA GLY A 62 2.901 6.334 12.899 1.00 0.00 C ATOM 896 C GLY A 62 2.003 5.292 12.217 1.00 0.00 C ATOM 897 O GLY A 62 1.046 4.800 12.819 1.00 0.00 O ATOM 0 H GLY A 62 3.292 5.542 14.777 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.648 7.328 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.941 6.149 12.629 1.00 0.00 H new ATOM 901 N ARG A 63 2.309 4.960 10.955 1.00 0.00 N ATOM 902 CA ARG A 63 1.727 3.847 10.185 1.00 0.00 C ATOM 903 C ARG A 63 2.727 3.225 9.207 1.00 0.00 C ATOM 904 O ARG A 63 3.846 3.709 9.036 1.00 0.00 O ATOM 905 CB ARG A 63 0.430 4.264 9.447 1.00 0.00 C ATOM 906 CG ARG A 63 0.637 5.118 8.176 1.00 0.00 C ATOM 907 CD ARG A 63 -0.524 5.128 7.172 1.00 0.00 C ATOM 908 NE ARG A 63 -1.852 5.189 7.796 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.368 6.065 8.643 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.820 7.191 9.030 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.512 5.758 9.190 1.00 0.00 N ATOM 0 H ARG A 63 3.000 5.483 10.417 1.00 0.00 H new ATOM 0 HA ARG A 63 1.466 3.083 10.917 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.118 3.362 9.173 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.199 4.822 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.835 6.145 8.482 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.530 4.760 7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.407 5.983 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.465 4.232 6.554 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.481 4.430 7.533 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.905 7.463 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.308 7.795 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.968 4.875 8.958 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.951 6.401 9.850 1.00 0.00 H new ATOM 925 N LEU A 64 2.253 2.182 8.525 1.00 0.00 N ATOM 926 CA LEU A 64 2.884 1.487 7.413 1.00 0.00 C ATOM 927 C LEU A 64 2.183 1.944 6.120 1.00 0.00 C ATOM 928 O LEU A 64 0.965 1.786 6.009 1.00 0.00 O ATOM 929 CB LEU A 64 2.749 -0.037 7.623 1.00 0.00 C ATOM 930 CG LEU A 64 3.168 -0.645 8.982 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.502 -0.093 9.484 1.00 0.00 C ATOM 932 CD2 LEU A 64 2.122 -0.515 10.098 1.00 0.00 C ATOM 0 H LEU A 64 1.348 1.773 8.757 1.00 0.00 H new ATOM 0 HA LEU A 64 3.947 1.718 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.706 -0.302 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.335 -0.530 6.847 1.00 0.00 H new ATOM 0 HG LEU A 64 3.269 -1.707 8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.749 -0.553 10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.285 -0.319 8.760 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.425 0.987 9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.506 -0.970 11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.912 0.539 10.278 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.205 -1.022 9.798 1.00 0.00 H new ATOM 944 N VAL A 65 2.914 2.582 5.193 1.00 0.00 N ATOM 945 CA VAL A 65 2.327 3.274 4.032 1.00 0.00 C ATOM 946 C VAL A 65 2.205 2.332 2.833 1.00 0.00 C ATOM 947 O VAL A 65 1.099 2.150 2.333 1.00 0.00 O ATOM 948 CB VAL A 65 3.132 4.537 3.658 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.591 5.259 2.415 1.00 0.00 C ATOM 950 CG2 VAL A 65 3.182 5.543 4.815 1.00 0.00 C ATOM 0 H VAL A 65 3.932 2.633 5.226 1.00 0.00 H new ATOM 0 HA VAL A 65 1.324 3.593 4.316 1.00 0.00 H new ATOM 0 HB VAL A 65 4.134 4.170 3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.203 6.137 2.209 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.624 4.585 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.561 5.568 2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.757 6.418 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.169 5.848 5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.656 5.079 5.680 1.00 0.00 H new ATOM 960 N THR A 66 3.317 1.748 2.359 1.00 0.00 N ATOM 961 CA THR A 66 3.332 0.938 1.123 1.00 0.00 C ATOM 962 C THR A 66 2.381 -0.256 1.194 1.00 0.00 C ATOM 963 O THR A 66 1.651 -0.518 0.240 1.00 0.00 O ATOM 964 CB THR A 66 4.752 0.447 0.804 1.00 0.00 C ATOM 965 OG1 THR A 66 5.597 1.557 0.661 1.00 0.00 O ATOM 966 CG2 THR A 66 4.869 -0.341 -0.501 1.00 0.00 C ATOM 0 H THR A 66 4.226 1.821 2.815 1.00 0.00 H new ATOM 0 HA THR A 66 2.986 1.593 0.323 1.00 0.00 H new ATOM 0 HB THR A 66 5.023 -0.211 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.398 1.296 0.160 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.904 -0.649 -0.648 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.231 -1.224 -0.452 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.555 0.287 -1.335 1.00 0.00 H new ATOM 974 N VAL A 67 2.385 -0.970 2.324 1.00 0.00 N ATOM 975 CA VAL A 67 1.427 -2.028 2.650 1.00 0.00 C ATOM 976 C VAL A 67 1.183 -1.978 4.158 1.00 0.00 C ATOM 977 O VAL A 67 2.134 -1.821 4.926 1.00 0.00 O ATOM 978 CB VAL A 67 1.926 -3.446 2.251 1.00 0.00 C ATOM 979 CG1 VAL A 67 0.729 -4.334 1.884 1.00 0.00 C ATOM 980 CG2 VAL A 67 2.901 -3.508 1.063 1.00 0.00 C ATOM 0 H VAL A 67 3.077 -0.822 3.059 1.00 0.00 H new ATOM 0 HA VAL A 67 0.514 -1.853 2.082 1.00 0.00 H new ATOM 0 HB VAL A 67 2.470 -3.788 3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.084 -5.326 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.060 -4.415 2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.192 -3.892 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.181 -4.545 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.420 -3.096 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.794 -2.927 1.294 1.00 0.00 H new ATOM 990 N ASN A 68 -0.066 -2.152 4.601 1.00 0.00 N ATOM 991 CA ASN A 68 -0.327 -2.562 5.982 1.00 0.00 C ATOM 992 C ASN A 68 0.154 -4.029 6.182 1.00 0.00 C ATOM 993 O ASN A 68 0.368 -4.752 5.206 1.00 0.00 O ATOM 994 CB ASN A 68 -1.815 -2.325 6.313 1.00 0.00 C ATOM 995 CG ASN A 68 -2.045 -1.325 7.446 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.511 -1.685 8.518 1.00 0.00 O ATOM 997 ND2 ASN A 68 -1.722 -0.056 7.279 1.00 0.00 N ATOM 0 H ASN A 68 -0.901 -2.017 4.031 1.00 0.00 H new ATOM 0 HA ASN A 68 0.238 -1.959 6.693 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.324 -1.968 5.418 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.273 -3.277 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.862 0.610 8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.332 0.258 6.390 1.00 0.00 H new ATOM 1004 N PRO A 69 0.386 -4.483 7.426 1.00 0.00 N ATOM 1005 CA PRO A 69 1.279 -5.604 7.712 1.00 0.00 C ATOM 1006 C PRO A 69 0.711 -7.000 7.383 1.00 0.00 C ATOM 1007 O PRO A 69 0.365 -7.763 8.287 1.00 0.00 O ATOM 1008 CB PRO A 69 1.657 -5.431 9.192 1.00 0.00 C ATOM 1009 CG PRO A 69 0.451 -4.723 9.790 1.00 0.00 C ATOM 1010 CD PRO A 69 0.035 -3.796 8.655 1.00 0.00 C ATOM 0 HA PRO A 69 2.149 -5.574 7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.838 -6.392 9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.566 -4.841 9.307 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.341 -5.422 10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.708 -4.171 10.694 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.034 -3.588 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.549 -2.837 8.726 1.00 0.00 H new ATOM 1018 N PHE A 70 0.687 -7.404 6.106 1.00 0.00 N ATOM 1019 CA PHE A 70 0.695 -8.831 5.755 1.00 0.00 C ATOM 1020 C PHE A 70 1.458 -9.168 4.463 1.00 0.00 C ATOM 1021 O PHE A 70 1.209 -8.608 3.400 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.714 -9.446 5.815 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.666 -9.183 4.663 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -2.413 -7.991 4.601 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.878 -10.189 3.702 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -3.376 -7.816 3.589 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.851 -10.022 2.701 1.00 0.00 C ATOM 1028 CZ PHE A 70 -3.599 -8.833 2.643 1.00 0.00 C ATOM 0 H PHE A 70 0.662 -6.771 5.306 1.00 0.00 H new ATOM 0 HA PHE A 70 1.283 -9.318 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.601 -10.526 5.912 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.192 -9.092 6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.247 -7.211 5.330 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.290 -11.094 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.945 -6.899 3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.023 -10.806 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.344 -8.700 1.873 1.00 0.00 H new ATOM 1038 N VAL A 71 2.389 -10.124 4.575 1.00 0.00 N ATOM 1039 CA VAL A 71 3.046 -10.814 3.462 1.00 0.00 C ATOM 1040 C VAL A 71 2.083 -11.892 2.979 1.00 0.00 C ATOM 1041 O VAL A 71 1.937 -12.934 3.613 1.00 0.00 O ATOM 1042 CB VAL A 71 4.406 -11.396 3.909 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.003 -12.427 2.939 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.415 -10.248 4.032 1.00 0.00 C ATOM 0 H VAL A 71 2.718 -10.450 5.484 1.00 0.00 H new ATOM 0 HA VAL A 71 3.270 -10.129 2.644 1.00 0.00 H new ATOM 0 HB VAL A 71 4.219 -11.907 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.956 -12.784 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.317 -13.267 2.833 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.160 -11.962 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.380 -10.644 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.523 -9.754 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.060 -9.529 4.770 1.00 0.00 H new ATOM 1054 N SER A 72 1.375 -11.617 1.881 1.00 0.00 N ATOM 1055 CA SER A 72 0.351 -12.522 1.353 1.00 0.00 C ATOM 1056 C SER A 72 0.889 -13.733 0.574 1.00 0.00 C ATOM 1057 O SER A 72 0.075 -14.562 0.160 1.00 0.00 O ATOM 1058 CB SER A 72 -0.604 -11.742 0.445 1.00 0.00 C ATOM 1059 OG SER A 72 -1.715 -12.565 0.157 1.00 0.00 O ATOM 0 H SER A 72 1.495 -10.764 1.335 1.00 0.00 H new ATOM 0 HA SER A 72 -0.154 -12.925 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.929 -10.824 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.099 -11.450 -0.476 1.00 0.00 H new ATOM 0 HG SER A 72 -1.448 -13.506 0.215 1.00 0.00 H new ATOM 1065 N VAL A 73 2.201 -13.817 0.307 1.00 0.00 N ATOM 1066 CA VAL A 73 2.784 -14.814 -0.604 1.00 0.00 C ATOM 1067 C VAL A 73 4.227 -15.158 -0.228 1.00 0.00 C ATOM 1068 O VAL A 73 4.983 -14.298 0.214 1.00 0.00 O ATOM 1069 CB VAL A 73 2.774 -14.350 -2.090 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.087 -15.416 -2.951 1.00 0.00 C ATOM 1071 CG2 VAL A 73 2.115 -12.993 -2.389 1.00 0.00 C ATOM 0 H VAL A 73 2.892 -13.191 0.720 1.00 0.00 H new ATOM 0 HA VAL A 73 2.151 -15.695 -0.499 1.00 0.00 H new ATOM 0 HB VAL A 73 3.829 -14.215 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.079 -15.093 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.630 -16.357 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.062 -15.557 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.174 -12.787 -3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.069 -13.021 -2.082 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.634 -12.208 -1.839 1.00 0.00 H new ATOM 1081 N ALA A 74 4.630 -16.401 -0.516 1.00 0.00 N ATOM 1082 CA ALA A 74 6.013 -16.872 -0.422 1.00 0.00 C ATOM 1083 C ALA A 74 6.964 -16.155 -1.404 1.00 0.00 C ATOM 1084 O ALA A 74 8.168 -16.100 -1.165 1.00 0.00 O ATOM 1085 CB ALA A 74 5.999 -18.382 -0.684 1.00 0.00 C ATOM 0 H ALA A 74 3.984 -17.125 -0.829 1.00 0.00 H new ATOM 0 HA ALA A 74 6.398 -16.645 0.572 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.015 -18.771 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.376 -18.875 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.596 -18.575 -1.678 1.00 0.00 H new ATOM 1091 N THR A 75 6.416 -15.573 -2.480 1.00 0.00 N ATOM 1092 CA THR A 75 7.094 -14.852 -3.568 1.00 0.00 C ATOM 1093 C THR A 75 7.687 -13.492 -3.159 1.00 0.00 C ATOM 1094 O THR A 75 8.265 -12.797 -3.990 1.00 0.00 O ATOM 1095 CB THR A 75 6.119 -14.625 -4.746 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.029 -15.527 -4.714 1.00 0.00 O ATOM 1097 CG2 THR A 75 6.807 -14.812 -6.098 1.00 0.00 C ATOM 0 H THR A 75 5.406 -15.596 -2.624 1.00 0.00 H new ATOM 0 HA THR A 75 7.929 -15.491 -3.856 1.00 0.00 H new ATOM 0 HB THR A 75 5.768 -13.599 -4.633 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.435 -15.350 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.087 -14.644 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.627 -14.099 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.199 -15.827 -6.170 1.00 0.00 H new ATOM 1105 N ALA A 76 7.555 -13.082 -1.893 1.00 0.00 N ATOM 1106 CA ALA A 76 8.009 -11.794 -1.355 1.00 0.00 C ATOM 1107 C ALA A 76 9.543 -11.584 -1.330 1.00 0.00 C ATOM 1108 O ALA A 76 10.000 -10.601 -0.755 1.00 0.00 O ATOM 1109 CB ALA A 76 7.397 -11.649 0.044 1.00 0.00 C ATOM 0 H ALA A 76 7.109 -13.664 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 76 7.668 -11.012 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.710 -10.701 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.310 -11.673 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.735 -12.470 0.676 1.00 0.00 H new ATOM 1115 N ASN A 77 10.328 -12.466 -1.968 1.00 0.00 N ATOM 1116 CA ASN A 77 11.790 -12.691 -1.920 1.00 0.00 C ATOM 1117 C ASN A 77 12.677 -11.500 -2.363 1.00 0.00 C ATOM 1118 O ASN A 77 13.859 -11.676 -2.653 1.00 0.00 O ATOM 1119 CB ASN A 77 12.118 -13.945 -2.765 1.00 0.00 C ATOM 1120 CG ASN A 77 11.048 -15.019 -2.670 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.305 -15.249 -3.609 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.851 -15.603 -1.512 1.00 0.00 N ATOM 0 H ASN A 77 9.900 -13.127 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 77 12.038 -12.825 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.240 -13.652 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.071 -14.359 -2.436 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.074 -16.253 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.475 -15.407 -0.729 1.00 0.00 H new ATOM 1129 N ALA A 78 12.103 -10.304 -2.490 1.00 0.00 N ATOM 1130 CA ALA A 78 12.699 -9.121 -3.088 1.00 0.00 C ATOM 1131 C ALA A 78 13.679 -8.372 -2.164 1.00 0.00 C ATOM 1132 O ALA A 78 13.723 -8.564 -0.946 1.00 0.00 O ATOM 1133 CB ALA A 78 11.542 -8.206 -3.519 1.00 0.00 C ATOM 0 H ALA A 78 11.155 -10.130 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 78 13.310 -9.431 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.944 -7.301 -3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.915 -8.728 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.946 -7.938 -2.647 1.00 0.00 H new ATOM 1139 N LYS A 79 14.405 -7.435 -2.786 1.00 0.00 N ATOM 1140 CA LYS A 79 15.089 -6.280 -2.201 1.00 0.00 C ATOM 1141 C LYS A 79 14.216 -5.062 -2.530 1.00 0.00 C ATOM 1142 O LYS A 79 14.074 -4.714 -3.701 1.00 0.00 O ATOM 1143 CB LYS A 79 16.524 -6.220 -2.772 1.00 0.00 C ATOM 1144 CG LYS A 79 17.197 -4.836 -2.713 1.00 0.00 C ATOM 1145 CD LYS A 79 17.267 -4.145 -4.090 1.00 0.00 C ATOM 1146 CE LYS A 79 17.195 -2.619 -4.000 1.00 0.00 C ATOM 1147 NZ LYS A 79 18.258 -2.036 -3.153 1.00 0.00 N ATOM 0 H LYS A 79 14.539 -7.470 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 79 15.208 -6.328 -1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 79 17.145 -6.931 -2.227 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.498 -6.550 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.647 -4.199 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.206 -4.945 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.195 -4.430 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.448 -4.505 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.267 -2.198 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.222 -2.330 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.060 -1.028 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.286 -2.533 -2.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.177 -2.137 -3.630 1.00 0.00 H new ATOM 1161 N VAL A 80 13.549 -4.489 -1.523 1.00 0.00 N ATOM 1162 CA VAL A 80 12.372 -3.631 -1.701 1.00 0.00 C ATOM 1163 C VAL A 80 12.414 -2.388 -0.805 1.00 0.00 C ATOM 1164 O VAL A 80 12.551 -2.473 0.419 1.00 0.00 O ATOM 1165 CB VAL A 80 11.075 -4.462 -1.540 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.965 -5.237 -0.217 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.816 -3.606 -1.722 1.00 0.00 C ATOM 0 H VAL A 80 13.815 -4.610 -0.546 1.00 0.00 H new ATOM 0 HA VAL A 80 12.382 -3.241 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 80 11.144 -5.201 -2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 80 10.025 -5.788 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.797 -5.936 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.995 -4.537 0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.931 -4.230 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.805 -2.812 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.816 -3.167 -2.719 1.00 0.00 H new ATOM 1177 N LEU A 81 12.285 -1.217 -1.444 1.00 0.00 N ATOM 1178 CA LEU A 81 12.015 0.056 -0.779 1.00 0.00 C ATOM 1179 C LEU A 81 10.556 0.087 -0.309 1.00 0.00 C ATOM 1180 O LEU A 81 9.642 -0.236 -1.069 1.00 0.00 O ATOM 1181 CB LEU A 81 12.303 1.236 -1.735 1.00 0.00 C ATOM 1182 CG LEU A 81 13.555 2.063 -1.382 1.00 0.00 C ATOM 1183 CD1 LEU A 81 13.717 3.194 -2.403 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.451 2.694 0.009 1.00 0.00 C ATOM 0 H LEU A 81 12.368 -1.131 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 81 12.670 0.155 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.415 0.846 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.437 1.899 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 81 14.409 1.386 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.601 3.782 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.829 2.770 -3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.836 3.836 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.354 3.268 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.585 3.355 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.339 1.909 0.757 1.00 0.00 H new ATOM 1196 N ILE A 82 10.348 0.497 0.941 1.00 0.00 N ATOM 1197 CA ILE A 82 9.056 0.573 1.619 1.00 0.00 C ATOM 1198 C ILE A 82 8.916 1.980 2.215 1.00 0.00 C ATOM 1199 O ILE A 82 9.885 2.559 2.709 1.00 0.00 O ATOM 1200 CB ILE A 82 8.978 -0.562 2.678 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.869 -1.930 1.958 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.810 -0.370 3.663 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.874 -3.164 2.867 1.00 0.00 C ATOM 0 H ILE A 82 11.116 0.801 1.539 1.00 0.00 H new ATOM 0 HA ILE A 82 8.219 0.421 0.937 1.00 0.00 H new ATOM 0 HB ILE A 82 9.891 -0.529 3.272 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.951 -1.938 1.371 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.698 -2.016 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.801 -1.190 4.381 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.932 0.575 4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.869 -0.359 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.793 -4.065 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.803 -3.193 3.436 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.029 -3.113 3.554 1.00 0.00 H new ATOM 1215 N GLU A 83 7.701 2.529 2.194 1.00 0.00 N ATOM 1216 CA GLU A 83 7.347 3.728 2.939 1.00 0.00 C ATOM 1217 C GLU A 83 6.638 3.386 4.252 1.00 0.00 C ATOM 1218 O GLU A 83 5.712 2.566 4.298 1.00 0.00 O ATOM 1219 CB GLU A 83 6.482 4.694 2.117 1.00 0.00 C ATOM 1220 CG GLU A 83 7.293 5.509 1.109 1.00 0.00 C ATOM 1221 CD GLU A 83 6.426 6.635 0.539 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.412 7.723 1.167 1.00 0.00 O ATOM 1223 OE2 GLU A 83 5.763 6.390 -0.490 1.00 0.00 O ATOM 0 H GLU A 83 6.928 2.145 1.651 1.00 0.00 H new ATOM 0 HA GLU A 83 8.287 4.230 3.167 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.717 4.127 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.963 5.374 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.177 5.926 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.644 4.864 0.304 1.00 0.00 H new ATOM 1230 N LEU A 84 7.039 4.104 5.301 1.00 0.00 N ATOM 1231 CA LEU A 84 6.383 4.200 6.605 1.00 0.00 C ATOM 1232 C LEU A 84 6.045 5.673 6.885 1.00 0.00 C ATOM 1233 O LEU A 84 6.578 6.576 6.246 1.00 0.00 O ATOM 1234 CB LEU A 84 7.315 3.609 7.688 1.00 0.00 C ATOM 1235 CG LEU A 84 6.979 2.171 8.115 1.00 0.00 C ATOM 1236 CD1 LEU A 84 7.027 1.162 6.966 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.983 1.716 9.170 1.00 0.00 C ATOM 0 H LEU A 84 7.886 4.671 5.260 1.00 0.00 H new ATOM 0 HA LEU A 84 5.454 3.630 6.615 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.340 3.633 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.279 4.252 8.568 1.00 0.00 H new ATOM 0 HG LEU A 84 5.958 2.196 8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.779 0.170 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.308 1.449 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.029 1.147 6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.751 0.696 9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.989 1.749 8.753 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.927 2.377 10.035 1.00 0.00 H new ATOM 1249 N GLU A 85 5.171 5.923 7.859 1.00 0.00 N ATOM 1250 CA GLU A 85 4.824 7.258 8.352 1.00 0.00 C ATOM 1251 C GLU A 85 5.602 7.511 9.664 1.00 0.00 C ATOM 1252 O GLU A 85 5.298 6.858 10.668 1.00 0.00 O ATOM 1253 CB GLU A 85 3.308 7.328 8.527 1.00 0.00 C ATOM 1254 CG GLU A 85 2.766 8.597 9.198 1.00 0.00 C ATOM 1255 CD GLU A 85 1.296 8.375 9.565 1.00 0.00 C ATOM 1256 OE1 GLU A 85 1.034 7.890 10.689 1.00 0.00 O ATOM 1257 OE2 GLU A 85 0.418 8.567 8.694 1.00 0.00 O ATOM 0 H GLU A 85 4.668 5.179 8.343 1.00 0.00 H new ATOM 0 HA GLU A 85 5.106 8.043 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.844 7.234 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.990 6.466 9.114 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.347 8.829 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.862 9.449 8.525 1.00 0.00 H new ATOM 1264 N PRO A 86 6.640 8.373 9.659 1.00 0.00 N ATOM 1265 CA PRO A 86 7.530 8.670 10.778 1.00 0.00 C ATOM 1266 C PRO A 86 6.942 9.772 11.682 1.00 0.00 C ATOM 1267 O PRO A 86 6.946 10.948 11.283 1.00 0.00 O ATOM 1268 CB PRO A 86 8.834 9.153 10.130 1.00 0.00 C ATOM 1269 CG PRO A 86 8.348 9.852 8.859 1.00 0.00 C ATOM 1270 CD PRO A 86 7.096 9.084 8.486 1.00 0.00 C ATOM 0 HA PRO A 86 7.679 7.797 11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.380 9.835 10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.504 8.323 9.903 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.134 10.906 9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.096 9.809 8.067 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.323 9.765 8.129 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.305 8.386 7.675 1.00 0.00 H new ATOM 1278 N PRO A 87 6.473 9.446 12.903 1.00 0.00 N ATOM 1279 CA PRO A 87 5.998 10.456 13.844 1.00 0.00 C ATOM 1280 C PRO A 87 7.145 11.391 14.266 1.00 0.00 C ATOM 1281 O PRO A 87 8.324 11.094 14.056 1.00 0.00 O ATOM 1282 CB PRO A 87 5.385 9.671 15.004 1.00 0.00 C ATOM 1283 CG PRO A 87 6.197 8.382 15.006 1.00 0.00 C ATOM 1284 CD PRO A 87 6.464 8.130 13.528 1.00 0.00 C ATOM 0 HA PRO A 87 5.252 11.122 13.411 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.476 10.208 15.948 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.323 9.480 14.847 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.124 8.492 15.569 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.644 7.560 15.460 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.416 7.620 13.383 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.693 7.494 13.093 1.00 0.00 H new ATOM 1292 N PHE A 88 6.793 12.566 14.794 1.00 0.00 N ATOM 1293 CA PHE A 88 7.709 13.705 14.892 1.00 0.00 C ATOM 1294 C PHE A 88 8.429 13.799 16.248 1.00 0.00 C ATOM 1295 O PHE A 88 8.092 13.111 17.212 1.00 0.00 O ATOM 1296 CB PHE A 88 6.946 14.984 14.508 1.00 0.00 C ATOM 1297 CG PHE A 88 6.810 15.168 13.002 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.944 14.349 12.248 1.00 0.00 C ATOM 1299 CD2 PHE A 88 7.574 16.152 12.345 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.845 14.512 10.855 1.00 0.00 C ATOM 1301 CE2 PHE A 88 7.473 16.316 10.951 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.606 15.499 10.206 1.00 0.00 C ATOM 0 H PHE A 88 5.862 12.755 15.166 1.00 0.00 H new ATOM 0 HA PHE A 88 8.526 13.561 14.185 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.953 14.956 14.956 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.461 15.848 14.929 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.354 13.592 12.743 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.240 16.784 12.914 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.183 13.878 10.283 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.063 17.071 10.453 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.525 15.629 9.137 1.00 0.00 H new ATOM 1312 N GLY A 89 9.469 14.642 16.295 1.00 0.00 N ATOM 1313 CA GLY A 89 10.487 14.632 17.345 1.00 0.00 C ATOM 1314 C GLY A 89 11.428 13.447 17.140 1.00 0.00 C ATOM 1315 O GLY A 89 12.494 13.599 16.550 1.00 0.00 O ATOM 0 H GLY A 89 9.626 15.362 15.590 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.052 15.564 17.326 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.012 14.566 18.324 1.00 0.00 H new ATOM 1319 N ASP A 90 10.992 12.254 17.538 1.00 0.00 N ATOM 1320 CA ASP A 90 11.692 10.995 17.287 1.00 0.00 C ATOM 1321 C ASP A 90 10.778 10.023 16.529 1.00 0.00 C ATOM 1322 O ASP A 90 9.558 10.046 16.683 1.00 0.00 O ATOM 1323 CB ASP A 90 12.167 10.375 18.607 1.00 0.00 C ATOM 1324 CG ASP A 90 13.463 10.975 19.163 1.00 0.00 C ATOM 1325 OD1 ASP A 90 13.518 12.192 19.440 1.00 0.00 O ATOM 1326 OD2 ASP A 90 14.451 10.214 19.334 1.00 0.00 O ATOM 0 H ASP A 90 10.122 12.132 18.056 1.00 0.00 H new ATOM 0 HA ASP A 90 12.568 11.197 16.670 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.380 10.491 19.352 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.311 9.305 18.459 1.00 0.00 H new ATOM 1331 N SER A 91 11.384 9.144 15.725 1.00 0.00 N ATOM 1332 CA SER A 91 10.689 8.173 14.877 1.00 0.00 C ATOM 1333 C SER A 91 11.402 6.819 14.974 1.00 0.00 C ATOM 1334 O SER A 91 12.423 6.598 14.326 1.00 0.00 O ATOM 1335 CB SER A 91 10.605 8.655 13.414 1.00 0.00 C ATOM 1336 OG SER A 91 10.464 10.059 13.259 1.00 0.00 O ATOM 0 H SER A 91 12.399 9.087 15.645 1.00 0.00 H new ATOM 0 HA SER A 91 9.664 8.066 15.232 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.504 8.334 12.888 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.760 8.163 12.932 1.00 0.00 H new ATOM 0 HG SER A 91 9.591 10.340 13.605 1.00 0.00 H new ATOM 1342 N TYR A 92 10.895 5.915 15.811 1.00 0.00 N ATOM 1343 CA TYR A 92 11.436 4.571 16.009 1.00 0.00 C ATOM 1344 C TYR A 92 10.686 3.571 15.125 1.00 0.00 C ATOM 1345 O TYR A 92 9.455 3.473 15.154 1.00 0.00 O ATOM 1346 CB TYR A 92 11.437 4.211 17.501 1.00 0.00 C ATOM 1347 CG TYR A 92 12.373 5.110 18.295 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.766 4.912 18.208 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.865 6.198 19.035 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.649 5.834 18.806 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.747 7.107 19.653 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.142 6.954 19.497 1.00 0.00 C ATOM 1353 OH TYR A 92 15.005 7.895 19.970 1.00 0.00 O ATOM 0 H TYR A 92 10.074 6.103 16.386 1.00 0.00 H new ATOM 0 HA TYR A 92 12.479 4.533 15.694 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.425 4.298 17.897 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.739 3.171 17.624 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.157 4.053 17.683 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.798 6.335 19.128 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.716 5.682 18.735 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.356 7.921 20.246 1.00 0.00 H new ATOM 0 HH TYR A 92 15.039 8.650 19.347 1.00 0.00 H new ATOM 1363 N ILE A 93 11.460 2.868 14.295 1.00 0.00 N ATOM 1364 CA ILE A 93 11.023 2.057 13.160 1.00 0.00 C ATOM 1365 C ILE A 93 11.392 0.605 13.474 1.00 0.00 C ATOM 1366 O ILE A 93 12.553 0.212 13.354 1.00 0.00 O ATOM 1367 CB ILE A 93 11.682 2.586 11.862 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.377 4.078 11.569 1.00 0.00 C ATOM 1369 CG2 ILE A 93 11.303 1.703 10.663 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.913 4.420 11.260 1.00 0.00 C ATOM 0 H ILE A 93 12.474 2.850 14.406 1.00 0.00 H new ATOM 0 HA ILE A 93 9.946 2.115 13.000 1.00 0.00 H new ATOM 0 HB ILE A 93 12.758 2.529 12.025 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.693 4.668 12.429 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.989 4.394 10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.776 2.092 9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.643 0.683 10.840 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.220 1.707 10.536 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.821 5.490 11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.589 3.867 10.378 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.288 4.146 12.110 1.00 0.00 H new ATOM 1382 N VAL A 94 10.424 -0.174 13.959 1.00 0.00 N ATOM 1383 CA VAL A 94 10.675 -1.480 14.590 1.00 0.00 C ATOM 1384 C VAL A 94 10.273 -2.606 13.635 1.00 0.00 C ATOM 1385 O VAL A 94 9.258 -2.501 12.947 1.00 0.00 O ATOM 1386 CB VAL A 94 9.963 -1.575 15.957 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.360 -2.860 16.698 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.312 -0.383 16.863 1.00 0.00 C ATOM 0 H VAL A 94 9.437 0.081 13.927 1.00 0.00 H new ATOM 0 HA VAL A 94 11.741 -1.587 14.790 1.00 0.00 H new ATOM 0 HB VAL A 94 8.894 -1.575 15.746 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.844 -2.901 17.657 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.081 -3.727 16.099 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.437 -2.866 16.865 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.792 -0.485 17.816 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.388 -0.361 17.037 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.004 0.544 16.379 1.00 0.00 H new ATOM 1398 N VAL A 95 11.079 -3.675 13.585 1.00 0.00 N ATOM 1399 CA VAL A 95 10.932 -4.820 12.675 1.00 0.00 C ATOM 1400 C VAL A 95 11.151 -6.107 13.468 1.00 0.00 C ATOM 1401 O VAL A 95 12.288 -6.451 13.774 1.00 0.00 O ATOM 1402 CB VAL A 95 11.923 -4.718 11.491 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.919 -5.972 10.599 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.574 -3.529 10.586 1.00 0.00 C ATOM 0 H VAL A 95 11.885 -3.770 14.203 1.00 0.00 H new ATOM 0 HA VAL A 95 9.928 -4.823 12.251 1.00 0.00 H new ATOM 0 HB VAL A 95 12.906 -4.598 11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.633 -5.842 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.199 -6.842 11.193 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.922 -6.121 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.285 -3.479 9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.567 -3.657 10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.622 -2.606 11.163 1.00 0.00 H new ATOM 1414 N GLY A 96 10.085 -6.834 13.811 1.00 0.00 N ATOM 1415 CA GLY A 96 10.219 -8.156 14.421 1.00 0.00 C ATOM 1416 C GLY A 96 9.170 -8.545 15.451 1.00 0.00 C ATOM 1417 O GLY A 96 8.347 -7.744 15.891 1.00 0.00 O ATOM 0 H GLY A 96 9.121 -6.529 13.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.206 -8.900 13.625 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.199 -8.214 14.895 1.00 0.00 H new ATOM 1421 N ARG A 97 9.247 -9.815 15.854 1.00 0.00 N ATOM 1422 CA ARG A 97 8.294 -10.504 16.726 1.00 0.00 C ATOM 1423 C ARG A 97 9.045 -11.261 17.821 1.00 0.00 C ATOM 1424 O ARG A 97 10.099 -11.818 17.543 1.00 0.00 O ATOM 1425 CB ARG A 97 7.418 -11.458 15.888 1.00 0.00 C ATOM 1426 CG ARG A 97 8.222 -12.411 14.970 1.00 0.00 C ATOM 1427 CD ARG A 97 7.523 -13.747 14.720 1.00 0.00 C ATOM 1428 NE ARG A 97 7.506 -14.560 15.944 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.485 -14.820 16.745 1.00 0.00 C ATOM 1430 NH1 ARG A 97 5.241 -14.490 16.460 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.715 -15.416 17.889 1.00 0.00 N ATOM 0 H ARG A 97 10.015 -10.421 15.566 1.00 0.00 H new ATOM 0 HA ARG A 97 7.642 -9.774 17.206 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.801 -12.054 16.561 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.739 -10.866 15.274 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.400 -11.918 14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.198 -12.598 15.419 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.502 -13.571 14.380 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.035 -14.288 13.925 1.00 0.00 H new ATOM 0 HE ARG A 97 8.397 -14.978 16.211 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.028 -14.010 15.585 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.491 -14.715 17.114 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.668 -15.671 18.149 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.941 -15.625 18.520 1.00 0.00 H new ATOM 1445 N GLY A 98 8.480 -11.302 19.033 1.00 0.00 N ATOM 1446 CA GLY A 98 9.010 -11.933 20.254 1.00 0.00 C ATOM 1447 C GLY A 98 10.509 -12.265 20.254 1.00 0.00 C ATOM 1448 O GLY A 98 11.334 -11.448 20.654 1.00 0.00 O ATOM 0 H GLY A 98 7.574 -10.864 19.202 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.806 -11.272 21.096 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.456 -12.855 20.431 1.00 0.00 H new ATOM 1452 N GLU A 99 10.842 -13.483 19.820 1.00 0.00 N ATOM 1453 CA GLU A 99 12.182 -14.077 19.788 1.00 0.00 C ATOM 1454 C GLU A 99 13.141 -13.567 18.692 1.00 0.00 C ATOM 1455 O GLU A 99 14.340 -13.821 18.787 1.00 0.00 O ATOM 1456 CB GLU A 99 12.019 -15.607 19.682 1.00 0.00 C ATOM 1457 CG GLU A 99 11.536 -16.157 18.320 1.00 0.00 C ATOM 1458 CD GLU A 99 10.139 -15.703 17.864 1.00 0.00 C ATOM 1459 OE1 GLU A 99 9.256 -15.417 18.707 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.908 -15.626 16.637 1.00 0.00 O ATOM 0 H GLU A 99 10.136 -14.124 19.457 1.00 0.00 H new ATOM 0 HA GLU A 99 12.668 -13.764 20.712 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.978 -16.069 19.916 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.315 -15.929 20.449 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.258 -15.865 17.557 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.544 -17.246 18.367 1.00 0.00 H new ATOM 1467 N GLN A 100 12.652 -12.871 17.658 1.00 0.00 N ATOM 1468 CA GLN A 100 13.436 -12.403 16.508 1.00 0.00 C ATOM 1469 C GLN A 100 13.039 -10.965 16.126 1.00 0.00 C ATOM 1470 O GLN A 100 12.002 -10.731 15.496 1.00 0.00 O ATOM 1471 CB GLN A 100 13.365 -13.424 15.346 1.00 0.00 C ATOM 1472 CG GLN A 100 11.981 -13.620 14.697 1.00 0.00 C ATOM 1473 CD GLN A 100 11.898 -14.887 13.849 1.00 0.00 C ATOM 1474 OE1 GLN A 100 12.396 -14.964 12.737 1.00 0.00 O ATOM 1475 NE2 GLN A 100 11.226 -15.917 14.323 1.00 0.00 N ATOM 0 H GLN A 100 11.668 -12.610 17.597 1.00 0.00 H new ATOM 0 HA GLN A 100 14.490 -12.347 16.779 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.065 -13.111 14.572 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.710 -14.389 15.716 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.221 -13.661 15.478 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.752 -12.756 14.074 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.804 -15.868 15.250 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.128 -16.763 13.762 1.00 0.00 H new ATOM 1484 N GLN A 101 13.851 -9.979 16.548 1.00 0.00 N ATOM 1485 CA GLN A 101 13.570 -8.566 16.280 1.00 0.00 C ATOM 1486 C GLN A 101 14.800 -7.707 15.979 1.00 0.00 C ATOM 1487 O GLN A 101 15.932 -8.058 16.305 1.00 0.00 O ATOM 1488 CB GLN A 101 12.684 -7.982 17.407 1.00 0.00 C ATOM 1489 CG GLN A 101 13.430 -7.346 18.600 1.00 0.00 C ATOM 1490 CD GLN A 101 13.578 -5.824 18.468 1.00 0.00 C ATOM 1491 OE1 GLN A 101 14.654 -5.270 18.289 1.00 0.00 O ATOM 1492 NE2 GLN A 101 12.486 -5.087 18.556 1.00 0.00 N ATOM 0 H GLN A 101 14.708 -10.140 17.077 1.00 0.00 H new ATOM 0 HA GLN A 101 13.015 -8.532 15.343 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.028 -7.228 16.971 1.00 0.00 H new ATOM 0 HB3 GLN A 101 12.045 -8.779 17.788 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.894 -7.576 19.521 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.419 -7.796 18.686 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.581 -5.533 18.705 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.548 -4.072 18.475 1.00 0.00 H new ATOM 1501 N ILE A 102 14.521 -6.562 15.354 1.00 0.00 N ATOM 1502 CA ILE A 102 15.423 -5.475 14.992 1.00 0.00 C ATOM 1503 C ILE A 102 14.658 -4.145 15.131 1.00 0.00 C ATOM 1504 O ILE A 102 13.424 -4.109 15.171 1.00 0.00 O ATOM 1505 CB ILE A 102 15.963 -5.625 13.536 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.697 -6.983 12.833 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.469 -5.308 13.557 1.00 0.00 C ATOM 1508 CD1 ILE A 102 16.031 -6.999 11.335 1.00 0.00 C ATOM 0 H ILE A 102 13.566 -6.356 15.062 1.00 0.00 H new ATOM 0 HA ILE A 102 16.285 -5.499 15.659 1.00 0.00 H new ATOM 0 HB ILE A 102 15.396 -4.920 12.928 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.281 -7.757 13.331 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.647 -7.245 12.961 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.875 -5.405 12.550 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.621 -4.289 13.913 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.978 -6.005 14.222 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.815 -7.985 10.925 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.428 -6.252 10.820 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.088 -6.771 11.195 1.00 0.00 H new ATOM 1520 N ASN A 103 15.377 -3.023 15.125 1.00 0.00 N ATOM 1521 CA ASN A 103 14.791 -1.698 14.952 1.00 0.00 C ATOM 1522 C ASN A 103 15.783 -0.755 14.259 1.00 0.00 C ATOM 1523 O ASN A 103 16.974 -1.054 14.166 1.00 0.00 O ATOM 1524 CB ASN A 103 14.322 -1.152 16.317 1.00 0.00 C ATOM 1525 CG ASN A 103 15.465 -0.829 17.268 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.937 0.296 17.331 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.933 -1.790 18.042 1.00 0.00 N ATOM 0 H ASN A 103 16.390 -3.010 15.241 1.00 0.00 H new ATOM 0 HA ASN A 103 13.917 -1.769 14.305 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.730 -0.251 16.155 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.666 -1.885 16.786 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.691 -1.595 18.696 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.536 -2.728 17.987 1.00 0.00 H new ATOM 1534 N HIS A 104 15.279 0.396 13.818 1.00 0.00 N ATOM 1535 CA HIS A 104 16.062 1.566 13.457 1.00 0.00 C ATOM 1536 C HIS A 104 15.452 2.804 14.129 1.00 0.00 C ATOM 1537 O HIS A 104 14.273 2.831 14.488 1.00 0.00 O ATOM 1538 CB HIS A 104 16.125 1.702 11.927 1.00 0.00 C ATOM 1539 CG HIS A 104 17.329 2.473 11.443 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.544 3.836 11.525 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.443 1.916 10.875 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.768 4.083 11.031 1.00 0.00 C ATOM 1543 NE2 HIS A 104 19.344 2.948 10.613 1.00 0.00 N ATOM 0 H HIS A 104 14.276 0.540 13.700 1.00 0.00 H new ATOM 0 HA HIS A 104 17.088 1.463 13.811 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.137 0.707 11.481 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.220 2.198 11.576 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.892 4.528 11.894 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.596 0.867 10.667 1.00 0.00 H new ATOM 0 HE1 HIS A 104 19.224 5.060 10.978 1.00 0.00 H new ATOM 1551 N HIS A 105 16.262 3.851 14.264 1.00 0.00 N ATOM 1552 CA HIS A 105 15.891 5.131 14.856 1.00 0.00 C ATOM 1553 C HIS A 105 15.888 6.241 13.799 1.00 0.00 C ATOM 1554 O HIS A 105 16.518 6.111 12.745 1.00 0.00 O ATOM 1555 CB HIS A 105 16.864 5.430 16.012 1.00 0.00 C ATOM 1556 CG HIS A 105 18.316 5.527 15.602 1.00 0.00 C ATOM 1557 ND1 HIS A 105 19.045 6.690 15.491 1.00 0.00 N ATOM 1558 CD2 HIS A 105 19.154 4.486 15.299 1.00 0.00 C ATOM 1559 CE1 HIS A 105 20.287 6.355 15.102 1.00 0.00 C ATOM 1560 NE2 HIS A 105 20.397 5.026 14.967 1.00 0.00 N ATOM 0 H HIS A 105 17.233 3.829 13.951 1.00 0.00 H new ATOM 0 HA HIS A 105 14.877 5.084 15.252 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.570 6.367 16.484 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.764 4.649 16.765 1.00 0.00 H new ATOM 0 HD1 HIS A 105 18.704 7.634 15.671 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.898 3.437 15.314 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.086 7.059 14.923 1.00 0.00 H new ATOM 1568 N TRP A 106 15.190 7.337 14.100 1.00 0.00 N ATOM 1569 CA TRP A 106 15.228 8.605 13.381 1.00 0.00 C ATOM 1570 C TRP A 106 14.844 9.737 14.336 1.00 0.00 C ATOM 1571 O TRP A 106 14.138 9.510 15.322 1.00 0.00 O ATOM 1572 CB TRP A 106 14.285 8.573 12.166 1.00 0.00 C ATOM 1573 CG TRP A 106 14.953 8.931 10.877 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.751 8.102 10.173 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.918 10.187 10.130 1.00 0.00 C ATOM 1576 NE1 TRP A 106 16.192 8.743 9.034 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.732 10.039 8.967 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.288 11.438 10.314 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.920 11.072 8.037 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.462 12.482 9.382 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.275 12.303 8.248 1.00 0.00 C ATOM 0 H TRP A 106 14.550 7.362 14.894 1.00 0.00 H new ATOM 0 HA TRP A 106 16.238 8.776 13.009 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.855 7.575 12.077 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.459 9.262 12.340 1.00 0.00 H new ATOM 0 HD1 TRP A 106 16.005 7.092 10.457 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.786 8.310 8.327 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.664 11.597 11.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.550 10.924 7.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 13.966 13.428 9.540 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.403 13.109 7.541 1.00 0.00 H new ATOM 1592 N HIS A 107 15.289 10.958 14.027 1.00 0.00 N ATOM 1593 CA HIS A 107 15.079 12.143 14.860 1.00 0.00 C ATOM 1594 C HIS A 107 14.882 13.360 13.946 1.00 0.00 C ATOM 1595 O HIS A 107 15.515 13.450 12.885 1.00 0.00 O ATOM 1596 CB HIS A 107 16.266 12.344 15.827 1.00 0.00 C ATOM 1597 CG HIS A 107 16.874 11.065 16.360 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.384 10.270 17.372 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.958 10.419 15.824 1.00 0.00 C ATOM 1600 CE1 HIS A 107 17.156 9.174 17.445 1.00 0.00 C ATOM 1601 NE2 HIS A 107 18.122 9.214 16.512 1.00 0.00 N ATOM 0 H HIS A 107 15.815 11.153 13.175 1.00 0.00 H new ATOM 0 HA HIS A 107 14.187 12.014 15.473 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.042 12.912 15.314 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.932 12.949 16.669 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.578 10.477 17.961 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.575 10.778 15.014 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.019 8.372 18.155 1.00 0.00 H new ATOM 1609 N LYS A 108 14.003 14.283 14.342 1.00 0.00 N ATOM 1610 CA LYS A 108 13.662 15.503 13.607 1.00 0.00 C ATOM 1611 C LYS A 108 13.628 16.700 14.556 1.00 0.00 C ATOM 1612 O LYS A 108 13.316 16.565 15.739 1.00 0.00 O ATOM 1613 CB LYS A 108 12.282 15.378 12.925 1.00 0.00 C ATOM 1614 CG LYS A 108 11.975 14.045 12.221 1.00 0.00 C ATOM 1615 CD LYS A 108 10.695 14.176 11.380 1.00 0.00 C ATOM 1616 CE LYS A 108 10.016 12.822 11.157 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.874 12.951 10.225 1.00 0.00 N ATOM 0 H LYS A 108 13.489 14.198 15.219 1.00 0.00 H new ATOM 0 HA LYS A 108 14.427 15.649 12.844 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.514 15.549 13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.192 16.179 12.191 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.812 13.760 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.855 13.253 12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.001 14.852 11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.938 14.623 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.738 12.110 10.757 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.669 12.423 12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.119 12.295 10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.513 13.926 10.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.186 12.723 9.260 1.00 0.00 H new ATOM 1631 N SER A 109 13.773 17.908 14.003 1.00 0.00 N ATOM 1632 CA SER A 109 13.557 19.208 14.664 1.00 0.00 C ATOM 1633 C SER A 109 14.556 19.586 15.772 1.00 0.00 C ATOM 1634 O SER A 109 14.450 20.688 16.304 1.00 0.00 O ATOM 1635 CB SER A 109 12.100 19.347 15.152 1.00 0.00 C ATOM 1636 OG SER A 109 11.817 18.508 16.255 1.00 0.00 O ATOM 0 H SER A 109 14.059 18.016 13.030 1.00 0.00 H new ATOM 0 HA SER A 109 13.756 19.937 13.879 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.910 20.384 15.430 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.421 19.107 14.333 1.00 0.00 H new ATOM 0 HG SER A 109 12.519 17.830 16.339 1.00 0.00 H new ATOM 1642 N GLY A 110 15.530 18.726 16.101 1.00 0.00 N ATOM 1643 CA GLY A 110 16.452 18.935 17.222 1.00 0.00 C ATOM 1644 C GLY A 110 16.027 18.166 18.477 1.00 0.00 C ATOM 1645 O GLY A 110 16.060 18.723 19.571 1.00 0.00 O ATOM 0 H GLY A 110 15.700 17.859 15.591 1.00 0.00 H new ATOM 0 HA2 GLY A 110 17.454 18.621 16.929 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.506 19.999 17.452 1.00 0.00 H new ATOM 1649 N SER A 111 15.587 16.913 18.309 1.00 0.00 N ATOM 1650 CA SER A 111 15.038 16.046 19.355 1.00 0.00 C ATOM 1651 C SER A 111 16.148 15.302 20.129 1.00 0.00 C ATOM 1652 O SER A 111 17.207 15.875 20.380 1.00 0.00 O ATOM 1653 CB SER A 111 13.999 15.127 18.709 1.00 0.00 C ATOM 1654 OG SER A 111 13.204 14.501 19.694 1.00 0.00 O ATOM 0 H SER A 111 15.606 16.456 17.397 1.00 0.00 H new ATOM 0 HA SER A 111 14.538 16.638 20.121 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.365 15.704 18.036 1.00 0.00 H new ATOM 0 HB3 SER A 111 14.501 14.371 18.105 1.00 0.00 H new ATOM 0 HG SER A 111 13.004 13.582 19.418 1.00 0.00 H new ATOM 1660 N SER A 112 15.924 14.052 20.556 1.00 0.00 N ATOM 1661 CA SER A 112 16.735 13.297 21.528 1.00 0.00 C ATOM 1662 C SER A 112 18.257 13.342 21.300 1.00 0.00 C ATOM 1663 O SER A 112 19.006 13.586 22.244 1.00 0.00 O ATOM 1664 CB SER A 112 16.241 11.845 21.578 1.00 0.00 C ATOM 1665 OG SER A 112 16.449 11.213 20.332 1.00 0.00 O ATOM 0 H SER A 112 15.130 13.509 20.216 1.00 0.00 H new ATOM 0 HA SER A 112 16.591 13.797 22.486 1.00 0.00 H new ATOM 0 HB2 SER A 112 16.768 11.301 22.362 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.181 11.823 21.832 1.00 0.00 H new ATOM 0 HG SER A 112 15.672 10.657 20.114 1.00 0.00 H new ATOM 1671 N ILE A 113 18.714 13.140 20.059 1.00 0.00 N ATOM 1672 CA ILE A 113 20.134 13.156 19.654 1.00 0.00 C ATOM 1673 C ILE A 113 20.598 14.566 19.207 1.00 0.00 C ATOM 1674 O ILE A 113 21.707 14.739 18.710 1.00 0.00 O ATOM 1675 CB ILE A 113 20.375 12.021 18.612 1.00 0.00 C ATOM 1676 CG1 ILE A 113 19.902 10.637 19.129 1.00 0.00 C ATOM 1677 CG2 ILE A 113 21.840 11.869 18.154 1.00 0.00 C ATOM 1678 CD1 ILE A 113 20.533 10.162 20.447 1.00 0.00 C ATOM 0 H ILE A 113 18.086 12.954 19.277 1.00 0.00 H new ATOM 0 HA ILE A 113 20.772 12.941 20.511 1.00 0.00 H new ATOM 0 HB ILE A 113 19.780 12.340 17.757 1.00 0.00 H new ATOM 0 HG12 ILE A 113 18.820 10.669 19.257 1.00 0.00 H new ATOM 0 HG13 ILE A 113 20.110 9.893 18.360 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.913 11.057 17.431 1.00 0.00 H new ATOM 0 HG22 ILE A 113 22.175 12.798 17.692 1.00 0.00 H new ATOM 0 HG23 ILE A 113 22.469 11.645 19.015 1.00 0.00 H new ATOM 0 HD11 ILE A 113 20.130 9.185 20.712 1.00 0.00 H new ATOM 0 HD12 ILE A 113 21.614 10.088 20.327 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.304 10.876 21.238 1.00 0.00 H new ATOM 1690 N GLY A 114 19.770 15.604 19.388 1.00 0.00 N ATOM 1691 CA GLY A 114 20.042 16.973 18.932 1.00 0.00 C ATOM 1692 C GLY A 114 19.778 17.165 17.434 1.00 0.00 C ATOM 1693 O GLY A 114 20.389 18.029 16.808 1.00 0.00 O ATOM 0 H GLY A 114 18.873 15.513 19.866 1.00 0.00 H new ATOM 0 HA2 GLY A 114 19.422 17.669 19.497 1.00 0.00 H new ATOM 0 HA3 GLY A 114 21.081 17.223 19.148 1.00 0.00 H new ATOM 1697 N LYS A 115 18.892 16.340 16.859 1.00 0.00 N ATOM 1698 CA LYS A 115 18.672 16.145 15.419 1.00 0.00 C ATOM 1699 C LYS A 115 17.177 16.144 15.063 1.00 0.00 C ATOM 1700 O LYS A 115 16.362 15.788 15.937 1.00 0.00 O ATOM 1701 CB LYS A 115 19.422 14.852 15.024 1.00 0.00 C ATOM 1702 CG LYS A 115 19.127 14.295 13.622 1.00 0.00 C ATOM 1703 CD LYS A 115 19.439 15.273 12.473 1.00 0.00 C ATOM 1704 CE LYS A 115 18.525 15.066 11.259 1.00 0.00 C ATOM 1705 NZ LYS A 115 17.101 15.289 11.607 1.00 0.00 N ATOM 0 H LYS A 115 18.272 15.756 17.420 1.00 0.00 H new ATOM 0 HA LYS A 115 19.071 16.976 14.838 1.00 0.00 H new ATOM 0 HB2 LYS A 115 20.493 15.041 15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.183 14.081 15.756 1.00 0.00 H new ATOM 0 HG2 LYS A 115 19.708 13.384 13.476 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.075 14.014 13.569 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.333 16.296 12.833 1.00 0.00 H new ATOM 0 HD3 LYS A 115 20.478 15.149 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.817 15.749 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.653 14.054 10.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.594 15.658 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.671 14.390 11.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.037 15.976 12.385 1.00 0.00 H new