USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 887 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.0821 K(o=-0.082,f=-0.66) USER MOD Set 2.1: A 62 HIS : no HD1:sc= 0.177 X(o=0.37,f=-0.0066) USER MOD Set 2.2: A 67 TYR OH : rot 68:sc= 0.196 USER MOD Set 3.1: A 58 SER OG : rot 130:sc= 0.955 USER MOD Set 3.2: A 60 THR OG1 : rot 180:sc= 0.641 USER MOD Set 4.1: A 54 ASN :FLIP amide:sc= -9.73! C(o=-11!,f=-9.8!) USER MOD Set 4.2: A 56 TYR OH : rot 25:sc= -0.0362 USER MOD Set 5.1: A 47 SER OG : rot -140:sc= -3.5! USER MOD Set 5.2: A 48 ASN : amide:sc= -0.0605 X(o=-3.6,f=-4) USER MOD Set 6.1: A 27 SER OG : rot 180:sc= 0.0106 USER MOD Set 6.2: A 52 GLN : amide:sc= -0.744 K(o=-0.73,f=-1.6!) USER MOD Single : A 2 THR OG1 : rot -23:sc= 0.339 USER MOD Single : A 6 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.31) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.151 K(o=-0.15,f=-1.3) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -110:sc= 0.0695 USER MOD Single : A 13 ASN : amide:sc= -1.25 K(o=-1.2,f=-2.5!) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0126 F(o=-0.61,f=-0.013) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -1.36 (180deg=-3.79!) USER MOD Single : A 25 CYS SG : rot -73:sc= 0.749 USER MOD Single : A 39 GLN : amide:sc= -8.95! C(o=-9!,f=-11!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -21:sc= 0.869 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -24:sc= 0.834 USER MOD Single : A 65 ASN :FLIP amide:sc=-0.00371 F(o=-0.62,f=-0.0037) USER MOD Single : A 72 TYR OH : rot -81:sc= -0.77 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.27) USER MOD Single : A 86 ASN : amide:sc= -0.938 K(o=-0.94,f=-1.7) USER MOD Single : A 87 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.77) USER MOD Single : A 89 MET CE :methyl -139:sc= 0 (180deg=-0.058) USER MOD Single : A 96 ASN : amide:sc= -0.9 K(o=-0.9,f=-3.3!) USER MOD Single : A 97 THR OG1 : rot 55:sc= -0.279 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -1.46! C(o=-1.5!,f=-1.6!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.620 -8.273 19.017 1.00 0.00 N ATOM 21 CA THR A 2 -12.054 -8.134 18.617 1.00 0.00 C ATOM 22 C THR A 2 -12.163 -7.130 17.466 1.00 0.00 C ATOM 23 O THR A 2 -13.243 -6.827 16.999 1.00 0.00 O ATOM 24 CB THR A 2 -12.867 -7.625 19.815 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.190 -6.541 20.435 1.00 0.00 O ATOM 26 CG2 THR A 2 -13.049 -8.758 20.824 1.00 0.00 C ATOM 0 HA THR A 2 -12.441 -9.101 18.296 1.00 0.00 H new ATOM 0 HB THR A 2 -13.842 -7.284 19.467 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.233 -6.592 20.229 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.626 -8.398 21.675 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.578 -9.585 20.351 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.073 -9.100 21.167 1.00 0.00 H new ATOM 34 N LEU A 3 -11.050 -6.615 17.013 1.00 0.00 N ATOM 35 CA LEU A 3 -11.067 -5.625 15.893 1.00 0.00 C ATOM 36 C LEU A 3 -11.620 -6.301 14.638 1.00 0.00 C ATOM 37 O LEU A 3 -12.381 -5.717 13.890 1.00 0.00 O ATOM 38 CB LEU A 3 -9.633 -5.141 15.617 1.00 0.00 C ATOM 39 CG LEU A 3 -8.987 -4.660 16.922 1.00 0.00 C ATOM 40 CD1 LEU A 3 -7.549 -4.203 16.647 1.00 0.00 C ATOM 41 CD2 LEU A 3 -9.796 -3.489 17.498 1.00 0.00 C ATOM 0 H LEU A 3 -10.122 -6.839 17.373 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.693 -4.775 16.163 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.043 -5.950 15.185 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.647 -4.331 14.887 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.975 -5.479 17.641 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.092 -3.862 17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.973 -5.036 16.244 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.559 -3.386 15.926 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.335 -3.149 18.425 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.812 -2.670 16.779 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.816 -3.816 17.699 1.00 0.00 H new ATOM 53 N GLU A 4 -11.234 -7.526 14.411 1.00 0.00 N ATOM 54 CA GLU A 4 -11.711 -8.272 13.212 1.00 0.00 C ATOM 55 C GLU A 4 -13.226 -8.471 13.315 1.00 0.00 C ATOM 56 O GLU A 4 -13.937 -8.406 12.330 1.00 0.00 O ATOM 57 CB GLU A 4 -11.014 -9.641 13.166 1.00 0.00 C ATOM 58 CG GLU A 4 -9.520 -9.445 12.878 1.00 0.00 C ATOM 59 CD GLU A 4 -8.797 -10.795 12.923 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.465 -11.801 13.093 1.00 0.00 O ATOM 61 OE2 GLU A 4 -7.584 -10.799 12.781 1.00 0.00 O ATOM 0 H GLU A 4 -10.599 -8.049 15.014 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.479 -7.712 12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.147 -10.161 14.115 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.465 -10.265 12.395 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.387 -8.984 11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.086 -8.766 13.612 1.00 0.00 H new ATOM 68 N LEU A 5 -13.715 -8.709 14.502 1.00 0.00 N ATOM 69 CA LEU A 5 -15.179 -8.912 14.699 1.00 0.00 C ATOM 70 C LEU A 5 -15.915 -7.626 14.320 1.00 0.00 C ATOM 71 O LEU A 5 -16.964 -7.655 13.706 1.00 0.00 O ATOM 72 CB LEU A 5 -15.455 -9.245 16.178 1.00 0.00 C ATOM 73 CG LEU A 5 -16.970 -9.371 16.427 1.00 0.00 C ATOM 74 CD1 LEU A 5 -17.575 -10.419 15.483 1.00 0.00 C ATOM 75 CD2 LEU A 5 -17.218 -9.794 17.883 1.00 0.00 C ATOM 0 H LEU A 5 -13.156 -8.772 15.353 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.526 -9.734 14.073 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.957 -10.177 16.446 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.039 -8.466 16.817 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.441 -8.406 16.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.646 -10.500 15.668 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.407 -10.118 14.449 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.102 -11.385 15.661 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -18.290 -9.883 18.058 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.739 -10.755 18.069 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.801 -9.044 18.556 1.00 0.00 H new ATOM 87 N GLN A 6 -15.368 -6.505 14.700 1.00 0.00 N ATOM 88 CA GLN A 6 -16.012 -5.198 14.392 1.00 0.00 C ATOM 89 C GLN A 6 -16.134 -5.033 12.879 1.00 0.00 C ATOM 90 O GLN A 6 -17.139 -4.567 12.378 1.00 0.00 O ATOM 91 CB GLN A 6 -15.143 -4.062 14.954 1.00 0.00 C ATOM 92 CG GLN A 6 -15.251 -4.032 16.480 1.00 0.00 C ATOM 93 CD GLN A 6 -16.659 -3.589 16.891 1.00 0.00 C ATOM 94 OE1 GLN A 6 -17.490 -4.408 17.231 1.00 0.00 O ATOM 95 NE2 GLN A 6 -16.965 -2.320 16.872 1.00 0.00 N ATOM 0 H GLN A 6 -14.491 -6.438 15.217 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.003 -5.165 14.844 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.104 -4.206 14.657 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.464 -3.107 14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.037 -5.020 16.889 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.509 -3.348 16.893 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.268 -1.632 16.587 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.901 -2.017 17.142 1.00 0.00 H new ATOM 104 N LEU A 7 -15.113 -5.402 12.155 1.00 0.00 N ATOM 105 CA LEU A 7 -15.153 -5.263 10.675 1.00 0.00 C ATOM 106 C LEU A 7 -16.250 -6.158 10.097 1.00 0.00 C ATOM 107 O LEU A 7 -16.996 -5.755 9.227 1.00 0.00 O ATOM 108 CB LEU A 7 -13.797 -5.686 10.085 1.00 0.00 C ATOM 109 CG LEU A 7 -13.844 -5.582 8.551 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.179 -4.138 8.139 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.487 -5.985 7.968 1.00 0.00 C ATOM 0 H LEU A 7 -14.249 -5.796 12.529 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.361 -4.224 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.004 -5.050 10.478 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.563 -6.708 10.383 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.614 -6.251 8.167 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.211 -4.068 7.052 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.149 -3.858 8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.414 -3.463 8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.522 -5.911 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.714 -5.320 8.353 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.258 -7.011 8.255 1.00 0.00 H new ATOM 123 N LYS A 8 -16.328 -7.373 10.561 1.00 0.00 N ATOM 124 CA LYS A 8 -17.351 -8.322 10.045 1.00 0.00 C ATOM 125 C LYS A 8 -18.745 -7.823 10.422 1.00 0.00 C ATOM 126 O LYS A 8 -19.665 -7.879 9.637 1.00 0.00 O ATOM 127 CB LYS A 8 -17.116 -9.704 10.667 1.00 0.00 C ATOM 128 CG LYS A 8 -15.797 -10.281 10.144 1.00 0.00 C ATOM 129 CD LYS A 8 -15.549 -11.661 10.763 1.00 0.00 C ATOM 130 CE LYS A 8 -14.231 -12.233 10.233 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.977 -13.559 10.865 1.00 0.00 N ATOM 0 H LYS A 8 -15.718 -7.753 11.285 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.273 -8.391 8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.085 -9.625 11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.941 -10.372 10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.831 -10.361 9.057 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.974 -9.610 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.512 -11.582 11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.372 -12.333 10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.277 -12.337 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.411 -11.550 10.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.082 -13.949 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.916 -13.446 11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.755 -14.209 10.633 1.00 0.00 H new ATOM 145 N HIS A 9 -18.899 -7.350 11.625 1.00 0.00 N ATOM 146 CA HIS A 9 -20.223 -6.847 12.081 1.00 0.00 C ATOM 147 C HIS A 9 -20.556 -5.542 11.355 1.00 0.00 C ATOM 148 O HIS A 9 -21.690 -5.286 11.004 1.00 0.00 O ATOM 149 CB HIS A 9 -20.179 -6.588 13.590 1.00 0.00 C ATOM 150 CG HIS A 9 -21.522 -6.091 14.051 1.00 0.00 C ATOM 151 ND1 HIS A 9 -22.615 -6.932 14.182 1.00 0.00 N ATOM 152 CD2 HIS A 9 -21.967 -4.840 14.404 1.00 0.00 C ATOM 153 CE1 HIS A 9 -23.654 -6.186 14.597 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.314 -4.902 14.749 1.00 0.00 N ATOM 0 H HIS A 9 -18.155 -7.290 12.320 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.987 -7.592 11.858 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.916 -7.504 14.120 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.408 -5.853 13.822 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.363 -3.945 14.412 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.643 -6.577 14.785 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.912 -4.134 15.052 1.00 0.00 H new ATOM 162 N TYR A 10 -19.571 -4.707 11.168 1.00 0.00 N ATOM 163 CA TYR A 10 -19.799 -3.395 10.501 1.00 0.00 C ATOM 164 C TYR A 10 -20.287 -3.593 9.064 1.00 0.00 C ATOM 165 O TYR A 10 -21.281 -3.026 8.656 1.00 0.00 O ATOM 166 CB TYR A 10 -18.475 -2.614 10.476 1.00 0.00 C ATOM 167 CG TYR A 10 -18.646 -1.343 9.676 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.171 -0.197 10.285 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.282 -1.313 8.323 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.333 0.978 9.542 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.444 -0.138 7.581 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.969 1.008 8.190 1.00 0.00 C ATOM 173 OH TYR A 10 -19.129 2.166 7.458 1.00 0.00 O ATOM 0 H TYR A 10 -18.607 -4.881 11.453 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.560 -2.846 11.056 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.164 -2.375 11.493 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.688 -3.228 10.037 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.451 -0.220 11.328 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.876 -2.197 7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.739 1.862 10.011 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.164 -0.115 6.538 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.827 2.016 6.538 1.00 0.00 H new ATOM 183 N ILE A 11 -19.573 -4.371 8.293 1.00 0.00 N ATOM 184 CA ILE A 11 -19.957 -4.593 6.869 1.00 0.00 C ATOM 185 C ILE A 11 -21.247 -5.411 6.787 1.00 0.00 C ATOM 186 O ILE A 11 -22.106 -5.145 5.970 1.00 0.00 O ATOM 187 CB ILE A 11 -18.829 -5.354 6.152 1.00 0.00 C ATOM 188 CG1 ILE A 11 -19.081 -5.335 4.637 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.789 -6.807 6.636 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.838 -5.838 3.896 1.00 0.00 C ATOM 0 H ILE A 11 -18.733 -4.866 8.593 1.00 0.00 H new ATOM 0 HA ILE A 11 -20.119 -3.627 6.392 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.877 -4.872 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.939 -5.962 4.394 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -19.324 -4.323 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.988 -7.339 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -18.609 -6.828 7.711 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.742 -7.289 6.418 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.023 -5.822 2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.990 -5.193 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.615 -6.857 4.210 1.00 0.00 H new ATOM 202 N THR A 12 -21.370 -6.415 7.612 1.00 0.00 N ATOM 203 CA THR A 12 -22.589 -7.276 7.577 1.00 0.00 C ATOM 204 C THR A 12 -23.810 -6.460 8.004 1.00 0.00 C ATOM 205 O THR A 12 -24.870 -6.578 7.428 1.00 0.00 O ATOM 206 CB THR A 12 -22.409 -8.462 8.537 1.00 0.00 C ATOM 207 OG1 THR A 12 -21.984 -7.991 9.805 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.370 -9.434 7.973 1.00 0.00 C ATOM 0 H THR A 12 -20.676 -6.678 8.312 1.00 0.00 H new ATOM 0 HA THR A 12 -22.737 -7.646 6.563 1.00 0.00 H new ATOM 0 HB THR A 12 -23.361 -8.981 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.052 -8.254 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.247 -10.273 8.658 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.706 -9.803 7.004 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.417 -8.919 7.855 1.00 0.00 H new ATOM 216 N ASN A 13 -23.665 -5.648 9.014 1.00 0.00 N ATOM 217 CA ASN A 13 -24.808 -4.818 9.499 1.00 0.00 C ATOM 218 C ASN A 13 -25.177 -3.788 8.431 1.00 0.00 C ATOM 219 O ASN A 13 -26.337 -3.492 8.213 1.00 0.00 O ATOM 220 CB ASN A 13 -24.391 -4.101 10.795 1.00 0.00 C ATOM 221 CG ASN A 13 -25.519 -3.188 11.287 1.00 0.00 C ATOM 222 OD1 ASN A 13 -26.569 -3.114 10.680 1.00 0.00 O ATOM 223 ND2 ASN A 13 -25.340 -2.481 12.373 1.00 0.00 N ATOM 0 H ASN A 13 -22.795 -5.521 9.531 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.672 -5.453 9.696 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.148 -4.836 11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.490 -3.514 10.619 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.082 -1.868 12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.459 -2.543 12.883 1.00 0.00 H new ATOM 230 N LEU A 14 -24.190 -3.230 7.782 1.00 0.00 N ATOM 231 CA LEU A 14 -24.453 -2.204 6.739 1.00 0.00 C ATOM 232 C LEU A 14 -25.254 -2.814 5.589 1.00 0.00 C ATOM 233 O LEU A 14 -26.182 -2.211 5.087 1.00 0.00 O ATOM 234 CB LEU A 14 -23.114 -1.670 6.197 1.00 0.00 C ATOM 235 CG LEU A 14 -23.371 -0.665 5.060 1.00 0.00 C ATOM 236 CD1 LEU A 14 -24.291 0.460 5.559 1.00 0.00 C ATOM 237 CD2 LEU A 14 -22.040 -0.064 4.596 1.00 0.00 C ATOM 0 H LEU A 14 -23.205 -3.445 7.934 1.00 0.00 H new ATOM 0 HA LEU A 14 -25.026 -1.389 7.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.553 -1.189 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.504 -2.496 5.832 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.849 -1.181 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -24.470 1.169 4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -25.240 0.036 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.816 0.975 6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.223 0.648 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.561 0.448 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.388 -0.859 4.236 1.00 0.00 H new ATOM 249 N PHE A 15 -24.892 -3.993 5.161 1.00 0.00 N ATOM 250 CA PHE A 15 -25.618 -4.654 4.028 1.00 0.00 C ATOM 251 C PHE A 15 -26.550 -5.738 4.581 1.00 0.00 C ATOM 252 O PHE A 15 -27.234 -6.408 3.835 1.00 0.00 O ATOM 253 CB PHE A 15 -24.598 -5.281 3.070 1.00 0.00 C ATOM 254 CG PHE A 15 -23.954 -4.198 2.238 1.00 0.00 C ATOM 255 CD1 PHE A 15 -24.561 -3.782 1.046 1.00 0.00 C ATOM 256 CD2 PHE A 15 -22.754 -3.609 2.656 1.00 0.00 C ATOM 257 CE1 PHE A 15 -23.969 -2.777 0.273 1.00 0.00 C ATOM 258 CE2 PHE A 15 -22.163 -2.604 1.882 1.00 0.00 C ATOM 259 CZ PHE A 15 -22.770 -2.188 0.691 1.00 0.00 C ATOM 0 H PHE A 15 -24.119 -4.534 5.548 1.00 0.00 H new ATOM 0 HA PHE A 15 -26.211 -3.915 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.838 -5.821 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -25.090 -6.007 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -25.486 -4.237 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -22.285 -3.930 3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -24.437 -2.456 -0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -21.238 -2.149 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 15 -22.313 -1.412 0.095 1.00 0.00 H new ATOM 269 N ASN A 16 -26.575 -5.903 5.879 1.00 0.00 N ATOM 270 CA ASN A 16 -27.456 -6.932 6.511 1.00 0.00 C ATOM 271 C ASN A 16 -27.128 -8.311 5.940 1.00 0.00 C ATOM 272 O ASN A 16 -28.007 -9.113 5.679 1.00 0.00 O ATOM 273 CB ASN A 16 -28.929 -6.586 6.263 1.00 0.00 C ATOM 274 CG ASN A 16 -29.305 -5.331 7.059 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.932 -5.222 8.305 1.00 0.00 O flip ATOM 276 ND2 ASN A 16 -29.954 -4.444 6.542 1.00 0.00 N flip ATOM 0 H ASN A 16 -26.015 -5.361 6.537 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.280 -6.945 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -29.099 -6.419 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.564 -7.421 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -30.247 -4.527 5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.206 -3.616 7.081 1.00 0.00 H new ATOM 283 N LEU A 17 -25.862 -8.583 5.740 1.00 0.00 N ATOM 284 CA LEU A 17 -25.447 -9.895 5.177 1.00 0.00 C ATOM 285 C LEU A 17 -25.358 -10.948 6.291 1.00 0.00 C ATOM 286 O LEU A 17 -25.032 -10.633 7.421 1.00 0.00 O ATOM 287 CB LEU A 17 -24.072 -9.762 4.511 1.00 0.00 C ATOM 288 CG LEU A 17 -24.140 -8.717 3.383 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.743 -8.142 3.128 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.660 -9.373 2.096 1.00 0.00 C ATOM 0 H LEU A 17 -25.095 -7.943 5.946 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.189 -10.206 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.327 -9.466 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.757 -10.725 4.109 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.817 -7.916 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.794 -7.402 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.373 -7.669 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.067 -8.945 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.706 -8.629 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.987 -10.178 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.656 -9.779 2.271 1.00 0.00 H new ATOM 302 N PRO A 18 -25.623 -12.196 5.970 1.00 0.00 N ATOM 303 CA PRO A 18 -25.558 -13.305 6.964 1.00 0.00 C ATOM 304 C PRO A 18 -24.264 -13.267 7.779 1.00 0.00 C ATOM 305 O PRO A 18 -23.175 -13.251 7.241 1.00 0.00 O ATOM 306 CB PRO A 18 -25.624 -14.575 6.097 1.00 0.00 C ATOM 307 CG PRO A 18 -26.331 -14.160 4.846 1.00 0.00 C ATOM 308 CD PRO A 18 -26.026 -12.680 4.638 1.00 0.00 C ATOM 0 HA PRO A 18 -26.360 -13.246 7.700 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -24.626 -14.954 5.878 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.163 -15.373 6.608 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.989 -14.749 3.995 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.405 -14.325 4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.231 -12.538 3.906 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.899 -12.143 4.268 1.00 0.00 H new ATOM 316 N ARG A 19 -24.393 -13.250 9.075 1.00 0.00 N ATOM 317 CA ARG A 19 -23.197 -13.211 9.964 1.00 0.00 C ATOM 318 C ARG A 19 -22.827 -14.634 10.389 1.00 0.00 C ATOM 319 O ARG A 19 -21.726 -14.888 10.834 1.00 0.00 O ATOM 320 CB ARG A 19 -23.515 -12.370 11.207 1.00 0.00 C ATOM 321 CG ARG A 19 -23.692 -10.902 10.804 1.00 0.00 C ATOM 322 CD ARG A 19 -23.985 -10.053 12.049 1.00 0.00 C ATOM 323 NE ARG A 19 -25.331 -10.407 12.589 1.00 0.00 N ATOM 324 CZ ARG A 19 -25.782 -9.839 13.684 1.00 0.00 C ATOM 325 NH1 ARG A 19 -25.064 -8.950 14.323 1.00 0.00 N ATOM 326 NH2 ARG A 19 -26.961 -10.163 14.136 1.00 0.00 N ATOM 0 H ARG A 19 -25.288 -13.262 9.564 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.359 -12.766 9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.423 -12.738 11.685 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.711 -12.463 11.937 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.791 -10.540 10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.508 -10.808 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.221 -10.225 12.807 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -23.950 -8.993 11.796 1.00 0.00 H new ATOM 0 HE ARG A 19 -25.905 -11.096 12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -24.142 -8.691 13.972 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -25.426 -8.517 15.172 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.525 -10.853 13.640 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.319 -9.727 14.986 1.00 0.00 H new ATOM 340 N ASP A 20 -23.747 -15.556 10.270 1.00 0.00 N ATOM 341 CA ASP A 20 -23.472 -16.966 10.682 1.00 0.00 C ATOM 342 C ASP A 20 -22.726 -17.685 9.553 1.00 0.00 C ATOM 343 O ASP A 20 -22.368 -18.839 9.673 1.00 0.00 O ATOM 344 CB ASP A 20 -24.809 -17.676 10.956 1.00 0.00 C ATOM 345 CG ASP A 20 -24.552 -19.033 11.622 1.00 0.00 C ATOM 346 OD1 ASP A 20 -23.398 -19.405 11.746 1.00 0.00 O ATOM 347 OD2 ASP A 20 -25.521 -19.679 11.993 1.00 0.00 O ATOM 0 H ASP A 20 -24.684 -15.392 9.902 1.00 0.00 H new ATOM 0 HA ASP A 20 -22.860 -16.980 11.584 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.434 -17.057 11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.354 -17.817 10.023 1.00 0.00 H new ATOM 352 N GLU A 21 -22.495 -17.006 8.460 1.00 0.00 N ATOM 353 CA GLU A 21 -21.777 -17.633 7.306 1.00 0.00 C ATOM 354 C GLU A 21 -20.295 -17.257 7.342 1.00 0.00 C ATOM 355 O GLU A 21 -19.924 -16.102 7.253 1.00 0.00 O ATOM 356 CB GLU A 21 -22.409 -17.146 6.000 1.00 0.00 C ATOM 357 CG GLU A 21 -23.816 -17.739 5.871 1.00 0.00 C ATOM 358 CD GLU A 21 -24.488 -17.204 4.604 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.838 -16.469 3.878 1.00 0.00 O ATOM 360 OE2 GLU A 21 -25.640 -17.536 4.384 1.00 0.00 O ATOM 0 H GLU A 21 -22.775 -16.036 8.314 1.00 0.00 H new ATOM 0 HA GLU A 21 -21.861 -18.718 7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -22.458 -16.057 5.989 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.795 -17.446 5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -23.760 -18.827 5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -24.411 -17.481 6.747 1.00 0.00 H new ATOM 367 N LYS A 22 -19.455 -18.247 7.476 1.00 0.00 N ATOM 368 CA LYS A 22 -17.986 -18.010 7.530 1.00 0.00 C ATOM 369 C LYS A 22 -17.440 -17.747 6.134 1.00 0.00 C ATOM 370 O LYS A 22 -17.924 -18.265 5.150 1.00 0.00 O ATOM 371 CB LYS A 22 -17.296 -19.238 8.126 1.00 0.00 C ATOM 372 CG LYS A 22 -17.662 -19.354 9.606 1.00 0.00 C ATOM 373 CD LYS A 22 -17.063 -20.641 10.184 1.00 0.00 C ATOM 374 CE LYS A 22 -15.529 -20.552 10.181 1.00 0.00 C ATOM 375 NZ LYS A 22 -15.013 -21.014 8.863 1.00 0.00 N ATOM 0 H LYS A 22 -19.731 -19.226 7.552 1.00 0.00 H new ATOM 0 HA LYS A 22 -17.791 -17.137 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.603 -20.137 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.215 -19.153 8.012 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.287 -18.489 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.746 -19.360 9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.425 -20.796 11.200 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.387 -21.499 9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.212 -19.526 10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.116 -21.165 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.361 -21.811 9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.808 -21.320 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.509 -20.234 8.395 1.00 0.00 H new ATOM 389 N TRP A 23 -16.425 -16.931 6.059 1.00 0.00 N ATOM 390 CA TRP A 23 -15.802 -16.587 4.749 1.00 0.00 C ATOM 391 C TRP A 23 -14.486 -17.343 4.594 1.00 0.00 C ATOM 392 O TRP A 23 -14.102 -18.125 5.439 1.00 0.00 O ATOM 393 CB TRP A 23 -15.529 -15.079 4.701 1.00 0.00 C ATOM 394 CG TRP A 23 -16.760 -14.317 5.100 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.031 -14.786 5.039 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.854 -12.959 5.626 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.894 -13.804 5.490 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.218 -12.660 5.864 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.900 -11.968 5.914 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -18.618 -11.424 6.371 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.300 -10.722 6.425 1.00 0.00 C ATOM 402 CH2 TRP A 23 -17.657 -10.452 6.653 1.00 0.00 C ATOM 0 H TRP A 23 -15.993 -16.480 6.865 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.477 -16.866 3.940 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -14.705 -14.830 5.370 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.223 -14.789 3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.322 -15.767 4.694 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.907 -13.912 5.540 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.852 -12.166 5.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.664 -11.220 6.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.558 -9.968 6.643 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -17.958 -9.492 7.047 1.00 0.00 H new ATOM 413 N GLU A 24 -13.802 -17.115 3.501 1.00 0.00 N ATOM 414 CA GLU A 24 -12.505 -17.817 3.244 1.00 0.00 C ATOM 415 C GLU A 24 -11.355 -16.832 3.389 1.00 0.00 C ATOM 416 O GLU A 24 -11.256 -15.862 2.673 1.00 0.00 O ATOM 417 CB GLU A 24 -12.524 -18.399 1.827 1.00 0.00 C ATOM 418 CG GLU A 24 -13.442 -19.628 1.785 1.00 0.00 C ATOM 419 CD GLU A 24 -14.908 -19.197 1.699 1.00 0.00 C ATOM 420 OE1 GLU A 24 -15.166 -18.008 1.763 1.00 0.00 O ATOM 421 OE2 GLU A 24 -15.750 -20.065 1.553 1.00 0.00 O ATOM 0 H GLU A 24 -14.089 -16.466 2.768 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.371 -18.624 3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.874 -17.647 1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.514 -18.677 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.188 -20.250 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.287 -20.236 2.676 1.00 0.00 H new ATOM 428 N CYS A 25 -10.494 -17.089 4.338 1.00 0.00 N ATOM 429 CA CYS A 25 -9.338 -16.183 4.588 1.00 0.00 C ATOM 430 C CYS A 25 -8.172 -16.534 3.674 1.00 0.00 C ATOM 431 O CYS A 25 -7.853 -17.685 3.459 1.00 0.00 O ATOM 432 CB CYS A 25 -8.893 -16.319 6.047 1.00 0.00 C ATOM 433 SG CYS A 25 -10.336 -16.224 7.134 1.00 0.00 S ATOM 0 H CYS A 25 -10.545 -17.898 4.957 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.648 -15.158 4.384 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.377 -17.268 6.193 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.185 -15.529 6.297 1.00 0.00 H new ATOM 0 HG CYS A 25 -10.766 -14.998 7.178 1.00 0.00 H new ATOM 439 N GLU A 26 -7.530 -15.527 3.151 1.00 0.00 N ATOM 440 CA GLU A 26 -6.361 -15.745 2.251 1.00 0.00 C ATOM 441 C GLU A 26 -5.306 -14.685 2.557 1.00 0.00 C ATOM 442 O GLU A 26 -5.480 -13.515 2.276 1.00 0.00 O ATOM 443 CB GLU A 26 -6.807 -15.631 0.795 1.00 0.00 C ATOM 444 CG GLU A 26 -5.673 -16.097 -0.120 1.00 0.00 C ATOM 445 CD GLU A 26 -5.512 -17.614 -0.010 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.349 -18.235 0.626 1.00 0.00 O ATOM 447 OE2 GLU A 26 -4.554 -18.130 -0.561 1.00 0.00 O ATOM 0 H GLU A 26 -7.768 -14.548 3.311 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.943 -16.739 2.413 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.697 -16.237 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.075 -14.600 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.887 -15.818 -1.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.742 -15.602 0.157 1.00 0.00 H new ATOM 454 N SER A 27 -4.217 -15.097 3.146 1.00 0.00 N ATOM 455 CA SER A 27 -3.133 -14.134 3.502 1.00 0.00 C ATOM 456 C SER A 27 -2.087 -14.085 2.394 1.00 0.00 C ATOM 457 O SER A 27 -1.472 -15.074 2.046 1.00 0.00 O ATOM 458 CB SER A 27 -2.484 -14.564 4.823 1.00 0.00 C ATOM 459 OG SER A 27 -3.462 -14.531 5.858 1.00 0.00 O ATOM 0 H SER A 27 -4.029 -16.067 3.398 1.00 0.00 H new ATOM 0 HA SER A 27 -3.560 -13.138 3.618 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.071 -15.568 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.655 -13.900 5.068 1.00 0.00 H new ATOM 0 HG SER A 27 -3.052 -14.807 6.704 1.00 0.00 H new ATOM 465 N ILE A 28 -1.888 -12.913 1.848 1.00 0.00 N ATOM 466 CA ILE A 28 -0.883 -12.725 0.760 1.00 0.00 C ATOM 467 C ILE A 28 -0.079 -11.455 1.042 1.00 0.00 C ATOM 468 O ILE A 28 -0.623 -10.408 1.336 1.00 0.00 O ATOM 469 CB ILE A 28 -1.591 -12.592 -0.594 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.455 -13.833 -0.848 1.00 0.00 C ATOM 471 CG2 ILE A 28 -0.539 -12.484 -1.702 1.00 0.00 C ATOM 472 CD1 ILE A 28 -3.312 -13.610 -2.097 1.00 0.00 C ATOM 0 H ILE A 28 -2.388 -12.065 2.115 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.218 -13.588 0.727 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.221 -11.703 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.821 -14.710 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.093 -14.028 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.036 -12.389 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.085 -11.607 -1.527 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.084 -13.379 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.927 -14.492 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.956 -12.743 -1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.664 -13.436 -2.956 1.00 0.00 H new ATOM 484 N GLU A 29 1.217 -11.552 0.950 1.00 0.00 N ATOM 485 CA GLU A 29 2.096 -10.376 1.209 1.00 0.00 C ATOM 486 C GLU A 29 2.277 -9.561 -0.067 1.00 0.00 C ATOM 487 O GLU A 29 2.720 -10.058 -1.083 1.00 0.00 O ATOM 488 CB GLU A 29 3.464 -10.865 1.697 1.00 0.00 C ATOM 489 CG GLU A 29 3.322 -11.525 3.077 1.00 0.00 C ATOM 490 CD GLU A 29 2.834 -12.969 2.915 1.00 0.00 C ATOM 491 OE1 GLU A 29 2.541 -13.358 1.796 1.00 0.00 O ATOM 492 OE2 GLU A 29 2.766 -13.663 3.916 1.00 0.00 O ATOM 0 H GLU A 29 1.713 -12.408 0.703 1.00 0.00 H new ATOM 0 HA GLU A 29 1.633 -9.746 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.880 -11.577 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.160 -10.028 1.755 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.280 -11.511 3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.619 -10.961 3.689 1.00 0.00 H new ATOM 499 N GLU A 30 1.941 -8.300 -0.002 1.00 0.00 N ATOM 500 CA GLU A 30 2.083 -7.401 -1.186 1.00 0.00 C ATOM 501 C GLU A 30 2.565 -6.021 -0.732 1.00 0.00 C ATOM 502 O GLU A 30 2.438 -5.648 0.418 1.00 0.00 O ATOM 503 CB GLU A 30 0.732 -7.260 -1.896 1.00 0.00 C ATOM 504 CG GLU A 30 0.348 -8.602 -2.528 1.00 0.00 C ATOM 505 CD GLU A 30 -1.020 -8.497 -3.213 1.00 0.00 C ATOM 506 OE1 GLU A 30 -1.586 -7.416 -3.208 1.00 0.00 O ATOM 507 OE2 GLU A 30 -1.475 -9.504 -3.734 1.00 0.00 O ATOM 0 H GLU A 30 1.569 -7.848 0.833 1.00 0.00 H new ATOM 0 HA GLU A 30 2.810 -7.831 -1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.034 -6.947 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.790 -6.488 -2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.104 -8.899 -3.255 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.320 -9.377 -1.762 1.00 0.00 H new ATOM 514 N VAL A 31 3.124 -5.271 -1.643 1.00 0.00 N ATOM 515 CA VAL A 31 3.637 -3.909 -1.314 1.00 0.00 C ATOM 516 C VAL A 31 2.470 -2.963 -1.035 1.00 0.00 C ATOM 517 O VAL A 31 1.458 -2.985 -1.703 1.00 0.00 O ATOM 518 CB VAL A 31 4.473 -3.375 -2.481 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.946 -1.956 -2.158 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.689 -4.281 -2.697 1.00 0.00 C ATOM 0 H VAL A 31 3.249 -5.549 -2.616 1.00 0.00 H new ATOM 0 HA VAL A 31 4.262 -3.970 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 31 3.867 -3.361 -3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.541 -1.573 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.081 -1.310 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.553 -1.972 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.283 -3.900 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.297 -4.296 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.353 -5.293 -2.925 1.00 0.00 H new ATOM 530 N ALA A 32 2.619 -2.144 -0.029 1.00 0.00 N ATOM 531 CA ALA A 32 1.540 -1.187 0.351 1.00 0.00 C ATOM 532 C ALA A 32 1.029 -0.445 -0.886 1.00 0.00 C ATOM 533 O ALA A 32 -0.157 -0.234 -1.041 1.00 0.00 O ATOM 534 CB ALA A 32 2.108 -0.166 1.343 1.00 0.00 C ATOM 0 H ALA A 32 3.455 -2.097 0.554 1.00 0.00 H new ATOM 0 HA ALA A 32 0.716 -1.739 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.327 0.539 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.470 -0.684 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.932 0.374 0.877 1.00 0.00 H new ATOM 540 N ASP A 33 1.918 -0.039 -1.749 1.00 0.00 N ATOM 541 CA ASP A 33 1.504 0.709 -2.976 1.00 0.00 C ATOM 542 C ASP A 33 0.764 -0.226 -3.939 1.00 0.00 C ATOM 543 O ASP A 33 0.081 0.219 -4.839 1.00 0.00 O ATOM 544 CB ASP A 33 2.754 1.268 -3.675 1.00 0.00 C ATOM 545 CG ASP A 33 3.335 2.422 -2.855 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.565 3.272 -2.440 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.539 2.442 -2.666 1.00 0.00 O ATOM 0 H ASP A 33 2.922 -0.193 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 33 0.841 1.525 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.499 0.481 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.498 1.614 -4.676 1.00 0.00 H new ATOM 552 N ASP A 34 0.904 -1.511 -3.760 1.00 0.00 N ATOM 553 CA ASP A 34 0.221 -2.484 -4.662 1.00 0.00 C ATOM 554 C ASP A 34 -1.225 -2.677 -4.208 1.00 0.00 C ATOM 555 O ASP A 34 -1.987 -3.379 -4.839 1.00 0.00 O ATOM 556 CB ASP A 34 0.955 -3.828 -4.608 1.00 0.00 C ATOM 557 CG ASP A 34 0.435 -4.747 -5.716 1.00 0.00 C ATOM 558 OD1 ASP A 34 -0.489 -4.349 -6.406 1.00 0.00 O ATOM 559 OD2 ASP A 34 0.978 -5.831 -5.861 1.00 0.00 O ATOM 0 H ASP A 34 1.467 -1.933 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 34 0.232 -2.101 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.027 -3.672 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.806 -4.296 -3.635 1.00 0.00 H new ATOM 564 N ILE A 35 -1.607 -2.068 -3.118 1.00 0.00 N ATOM 565 CA ILE A 35 -3.009 -2.219 -2.620 1.00 0.00 C ATOM 566 C ILE A 35 -3.545 -0.861 -2.172 1.00 0.00 C ATOM 567 O ILE A 35 -4.691 -0.534 -2.423 1.00 0.00 O ATOM 568 CB ILE A 35 -3.035 -3.203 -1.441 1.00 0.00 C ATOM 569 CG1 ILE A 35 -1.863 -2.926 -0.485 1.00 0.00 C ATOM 570 CG2 ILE A 35 -2.927 -4.636 -1.971 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.119 -3.622 0.855 1.00 0.00 C ATOM 0 H ILE A 35 -1.008 -1.470 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.637 -2.605 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.972 -3.076 -0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.931 -3.286 -0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.750 -1.853 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.945 -5.335 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.766 -4.842 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.993 -4.751 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.288 -3.425 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.042 -3.241 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.210 -4.696 0.695 1.00 0.00 H new ATOM 583 N LEU A 36 -2.742 -0.075 -1.497 1.00 0.00 N ATOM 584 CA LEU A 36 -3.219 1.245 -1.013 1.00 0.00 C ATOM 585 C LEU A 36 -2.751 2.370 -1.943 1.00 0.00 C ATOM 586 O LEU A 36 -1.734 2.257 -2.599 1.00 0.00 O ATOM 587 CB LEU A 36 -2.671 1.497 0.395 1.00 0.00 C ATOM 588 CG LEU A 36 -3.398 0.579 1.394 1.00 0.00 C ATOM 589 CD1 LEU A 36 -2.531 0.385 2.641 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.742 1.203 1.800 1.00 0.00 C ATOM 0 H LEU A 36 -1.774 -0.297 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.309 1.235 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.598 1.305 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.814 2.541 0.672 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.578 -0.386 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.048 -0.265 3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.582 -0.070 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.345 1.352 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.249 0.546 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.567 2.172 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.365 1.333 0.915 1.00 0.00 H new ATOM 602 N PRO A 37 -3.482 3.466 -1.974 1.00 0.00 N ATOM 603 CA PRO A 37 -3.132 4.645 -2.824 1.00 0.00 C ATOM 604 C PRO A 37 -1.710 5.168 -2.559 1.00 0.00 C ATOM 605 O PRO A 37 -1.201 5.103 -1.460 1.00 0.00 O ATOM 606 CB PRO A 37 -4.186 5.701 -2.438 1.00 0.00 C ATOM 607 CG PRO A 37 -5.331 4.929 -1.870 1.00 0.00 C ATOM 608 CD PRO A 37 -4.734 3.690 -1.227 1.00 0.00 C ATOM 0 HA PRO A 37 -3.139 4.392 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.787 6.406 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.496 6.282 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.875 5.524 -1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.042 4.658 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.543 3.845 -0.165 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.406 2.835 -1.309 1.00 0.00 H new ATOM 616 N ASP A 38 -1.081 5.663 -3.591 1.00 0.00 N ATOM 617 CA ASP A 38 0.315 6.182 -3.479 1.00 0.00 C ATOM 618 C ASP A 38 0.365 7.381 -2.530 1.00 0.00 C ATOM 619 O ASP A 38 1.322 7.568 -1.809 1.00 0.00 O ATOM 620 CB ASP A 38 0.791 6.627 -4.869 1.00 0.00 C ATOM 621 CG ASP A 38 1.040 5.397 -5.744 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.113 4.309 -5.198 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.149 5.564 -6.949 1.00 0.00 O ATOM 0 H ASP A 38 -1.483 5.731 -4.526 1.00 0.00 H new ATOM 0 HA ASP A 38 0.958 5.393 -3.088 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.043 7.270 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.705 7.214 -4.781 1.00 0.00 H new ATOM 628 N GLN A 39 -0.649 8.201 -2.548 1.00 0.00 N ATOM 629 CA GLN A 39 -0.674 9.405 -1.668 1.00 0.00 C ATOM 630 C GLN A 39 -0.810 8.973 -0.208 1.00 0.00 C ATOM 631 O GLN A 39 -0.288 9.605 0.689 1.00 0.00 O ATOM 632 CB GLN A 39 -1.877 10.279 -2.048 1.00 0.00 C ATOM 633 CG GLN A 39 -1.850 11.588 -1.241 1.00 0.00 C ATOM 634 CD GLN A 39 -2.473 11.368 0.140 1.00 0.00 C ATOM 635 OE1 GLN A 39 -1.784 11.386 1.141 1.00 0.00 O ATOM 636 NE2 GLN A 39 -3.756 11.162 0.239 1.00 0.00 N ATOM 0 H GLN A 39 -1.471 8.088 -3.141 1.00 0.00 H new ATOM 0 HA GLN A 39 0.251 9.967 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.855 10.499 -3.115 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.805 9.741 -1.853 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.823 11.937 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.397 12.365 -1.775 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.336 11.146 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.180 11.016 1.155 1.00 0.00 H new ATOM 645 N TYR A 40 -1.526 7.909 0.027 1.00 0.00 N ATOM 646 CA TYR A 40 -1.732 7.417 1.419 1.00 0.00 C ATOM 647 C TYR A 40 -0.635 6.413 1.766 1.00 0.00 C ATOM 648 O TYR A 40 -0.650 5.812 2.819 1.00 0.00 O ATOM 649 CB TYR A 40 -3.111 6.739 1.505 1.00 0.00 C ATOM 650 CG TYR A 40 -4.182 7.787 1.705 1.00 0.00 C ATOM 651 CD1 TYR A 40 -4.706 8.478 0.606 1.00 0.00 C ATOM 652 CD2 TYR A 40 -4.648 8.065 2.995 1.00 0.00 C ATOM 653 CE1 TYR A 40 -5.697 9.447 0.799 1.00 0.00 C ATOM 654 CE2 TYR A 40 -5.638 9.035 3.187 1.00 0.00 C ATOM 655 CZ TYR A 40 -6.163 9.725 2.088 1.00 0.00 C ATOM 656 OH TYR A 40 -7.140 10.682 2.279 1.00 0.00 O ATOM 0 H TYR A 40 -1.983 7.352 -0.695 1.00 0.00 H new ATOM 0 HA TYR A 40 -1.689 8.248 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.307 6.174 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.126 6.027 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.346 8.264 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.244 7.531 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.102 9.981 -0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.997 9.251 4.182 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.350 10.750 3.234 1.00 0.00 H new ATOM 666 N VAL A 41 0.319 6.241 0.890 1.00 0.00 N ATOM 667 CA VAL A 41 1.442 5.288 1.155 1.00 0.00 C ATOM 668 C VAL A 41 2.769 6.051 1.083 1.00 0.00 C ATOM 669 O VAL A 41 3.660 5.840 1.883 1.00 0.00 O ATOM 670 CB VAL A 41 1.431 4.176 0.097 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.713 3.343 0.226 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.213 3.271 0.319 1.00 0.00 C ATOM 0 H VAL A 41 0.371 6.724 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 41 1.325 4.844 2.144 1.00 0.00 H new ATOM 0 HB VAL A 41 1.378 4.619 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.710 2.552 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.581 3.985 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.761 2.900 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.205 2.481 -0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.267 2.826 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.699 3.862 0.234 1.00 0.00 H new ATOM 682 N ARG A 42 2.905 6.920 0.116 1.00 0.00 N ATOM 683 CA ARG A 42 4.168 7.697 -0.043 1.00 0.00 C ATOM 684 C ARG A 42 4.402 8.560 1.198 1.00 0.00 C ATOM 685 O ARG A 42 5.490 8.600 1.738 1.00 0.00 O ATOM 686 CB ARG A 42 4.044 8.608 -1.279 1.00 0.00 C ATOM 687 CG ARG A 42 5.359 9.375 -1.498 1.00 0.00 C ATOM 688 CD ARG A 42 6.504 8.385 -1.792 1.00 0.00 C ATOM 689 NE ARG A 42 7.161 7.999 -0.506 1.00 0.00 N ATOM 690 CZ ARG A 42 8.231 7.241 -0.501 1.00 0.00 C ATOM 691 NH1 ARG A 42 8.751 6.806 -1.621 1.00 0.00 N ATOM 692 NH2 ARG A 42 8.779 6.909 0.635 1.00 0.00 N ATOM 0 H ARG A 42 2.186 7.126 -0.578 1.00 0.00 H new ATOM 0 HA ARG A 42 5.006 7.011 -0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.810 8.010 -2.160 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.222 9.310 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.249 10.073 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.596 9.966 -0.614 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.115 7.500 -2.296 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.232 8.841 -2.464 1.00 0.00 H new ATOM 0 HE ARG A 42 6.773 8.329 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.324 7.056 -2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.584 6.217 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.375 7.239 1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.611 6.320 0.647 1.00 0.00 H new ATOM 706 N LEU A 43 3.386 9.248 1.642 1.00 0.00 N ATOM 707 CA LEU A 43 3.520 10.118 2.847 1.00 0.00 C ATOM 708 C LEU A 43 3.770 9.250 4.080 1.00 0.00 C ATOM 709 O LEU A 43 4.561 9.588 4.939 1.00 0.00 O ATOM 710 CB LEU A 43 2.220 10.925 3.037 1.00 0.00 C ATOM 711 CG LEU A 43 2.242 12.160 2.131 1.00 0.00 C ATOM 712 CD1 LEU A 43 2.388 11.727 0.671 1.00 0.00 C ATOM 713 CD2 LEU A 43 0.937 12.946 2.300 1.00 0.00 C ATOM 0 H LEU A 43 2.459 9.245 1.217 1.00 0.00 H new ATOM 0 HA LEU A 43 4.358 10.802 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.357 10.303 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.118 11.228 4.079 1.00 0.00 H new ATOM 0 HG LEU A 43 3.086 12.792 2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.403 12.608 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.318 11.172 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.547 11.091 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.955 13.824 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.093 12.313 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.834 13.261 3.338 1.00 0.00 H new ATOM 725 N GLY A 44 3.075 8.150 4.178 1.00 0.00 N ATOM 726 CA GLY A 44 3.227 7.252 5.358 1.00 0.00 C ATOM 727 C GLY A 44 4.506 6.420 5.230 1.00 0.00 C ATOM 728 O GLY A 44 5.080 6.299 4.162 1.00 0.00 O ATOM 0 H GLY A 44 2.400 7.832 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.260 7.844 6.273 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.362 6.593 5.436 1.00 0.00 H new ATOM 732 N PRO A 45 4.939 5.837 6.317 1.00 0.00 N ATOM 733 CA PRO A 45 6.171 4.994 6.345 1.00 0.00 C ATOM 734 C PRO A 45 5.978 3.697 5.549 1.00 0.00 C ATOM 735 O PRO A 45 6.919 2.988 5.260 1.00 0.00 O ATOM 736 CB PRO A 45 6.381 4.701 7.843 1.00 0.00 C ATOM 737 CG PRO A 45 5.028 4.860 8.466 1.00 0.00 C ATOM 738 CD PRO A 45 4.301 5.922 7.643 1.00 0.00 C ATOM 0 HA PRO A 45 7.028 5.489 5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.770 3.694 7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.101 5.391 8.282 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.481 3.917 8.455 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.113 5.167 9.509 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.231 5.721 7.586 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.416 6.914 8.079 1.00 0.00 H new ATOM 746 N LEU A 46 4.756 3.402 5.200 1.00 0.00 N ATOM 747 CA LEU A 46 4.451 2.166 4.424 1.00 0.00 C ATOM 748 C LEU A 46 4.916 2.362 2.982 1.00 0.00 C ATOM 749 O LEU A 46 4.618 1.561 2.117 1.00 0.00 O ATOM 750 CB LEU A 46 2.937 1.922 4.437 1.00 0.00 C ATOM 751 CG LEU A 46 2.410 1.994 5.876 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.898 1.737 5.885 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.110 0.932 6.731 1.00 0.00 C ATOM 0 H LEU A 46 3.942 3.975 5.424 1.00 0.00 H new ATOM 0 HA LEU A 46 4.963 1.312 4.868 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.434 2.666 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.713 0.946 4.007 1.00 0.00 H new ATOM 0 HG LEU A 46 2.613 2.984 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.526 1.789 6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.397 2.491 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.695 0.748 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.736 0.983 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.908 -0.057 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.185 1.114 6.729 1.00 0.00 H new ATOM 765 N SER A 47 5.623 3.442 2.742 1.00 0.00 N ATOM 766 CA SER A 47 6.137 3.784 1.373 1.00 0.00 C ATOM 767 C SER A 47 6.249 2.551 0.474 1.00 0.00 C ATOM 768 O SER A 47 5.525 2.416 -0.489 1.00 0.00 O ATOM 769 CB SER A 47 7.522 4.418 1.513 1.00 0.00 C ATOM 770 OG SER A 47 8.076 4.624 0.220 1.00 0.00 O ATOM 0 H SER A 47 5.873 4.122 3.460 1.00 0.00 H new ATOM 0 HA SER A 47 5.429 4.472 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.449 5.366 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.173 3.772 2.102 1.00 0.00 H new ATOM 0 HG SER A 47 9.032 4.407 0.235 1.00 0.00 H new ATOM 776 N ASN A 48 7.146 1.656 0.781 1.00 0.00 N ATOM 777 CA ASN A 48 7.310 0.424 -0.055 1.00 0.00 C ATOM 778 C ASN A 48 7.465 -0.788 0.861 1.00 0.00 C ATOM 779 O ASN A 48 8.048 -1.788 0.491 1.00 0.00 O ATOM 780 CB ASN A 48 8.549 0.572 -0.944 1.00 0.00 C ATOM 781 CG ASN A 48 8.327 1.709 -1.944 1.00 0.00 C ATOM 782 OD1 ASN A 48 7.315 1.753 -2.619 1.00 0.00 O ATOM 783 ND2 ASN A 48 9.236 2.636 -2.072 1.00 0.00 N ATOM 0 H ASN A 48 7.778 1.721 1.579 1.00 0.00 H new ATOM 0 HA ASN A 48 6.433 0.287 -0.688 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.427 0.778 -0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.743 -0.360 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.098 3.397 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.084 2.600 -1.507 1.00 0.00 H new ATOM 790 N LYS A 49 6.943 -0.703 2.054 1.00 0.00 N ATOM 791 CA LYS A 49 7.047 -1.842 3.008 1.00 0.00 C ATOM 792 C LYS A 49 6.052 -2.933 2.643 1.00 0.00 C ATOM 793 O LYS A 49 4.966 -2.678 2.161 1.00 0.00 O ATOM 794 CB LYS A 49 6.768 -1.361 4.428 1.00 0.00 C ATOM 795 CG LYS A 49 7.919 -0.467 4.892 1.00 0.00 C ATOM 796 CD LYS A 49 7.632 0.070 6.300 1.00 0.00 C ATOM 797 CE LYS A 49 7.913 -1.018 7.342 1.00 0.00 C ATOM 798 NZ LYS A 49 7.860 -0.428 8.706 1.00 0.00 N ATOM 0 H LYS A 49 6.445 0.113 2.411 1.00 0.00 H new ATOM 0 HA LYS A 49 8.058 -2.246 2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.828 -0.810 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.661 -2.213 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.851 -1.032 4.892 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.049 0.363 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.252 0.944 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.593 0.393 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.180 -1.819 7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.893 -1.461 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.051 -1.168 9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.576 0.322 8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.916 -0.025 8.874 1.00 0.00 H new ATOM 812 N ILE A 50 6.438 -4.153 2.873 1.00 0.00 N ATOM 813 CA ILE A 50 5.565 -5.311 2.553 1.00 0.00 C ATOM 814 C ILE A 50 4.613 -5.565 3.704 1.00 0.00 C ATOM 815 O ILE A 50 5.019 -5.814 4.819 1.00 0.00 O ATOM 816 CB ILE A 50 6.447 -6.542 2.319 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.352 -6.299 1.084 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.559 -7.765 2.078 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.694 -5.705 1.526 1.00 0.00 C ATOM 0 H ILE A 50 7.341 -4.401 3.278 1.00 0.00 H new ATOM 0 HA ILE A 50 4.982 -5.102 1.656 1.00 0.00 H new ATOM 0 HB ILE A 50 7.072 -6.718 3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.517 -7.237 0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.857 -5.622 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.185 -8.642 1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.925 -7.932 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.934 -7.594 1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.323 -5.538 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.522 -4.757 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.192 -6.397 2.205 1.00 0.00 H new ATOM 831 N LEU A 51 3.339 -5.493 3.426 1.00 0.00 N ATOM 832 CA LEU A 51 2.307 -5.713 4.482 1.00 0.00 C ATOM 833 C LEU A 51 1.492 -6.964 4.172 1.00 0.00 C ATOM 834 O LEU A 51 1.158 -7.245 3.036 1.00 0.00 O ATOM 835 CB LEU A 51 1.371 -4.504 4.537 1.00 0.00 C ATOM 836 CG LEU A 51 2.186 -3.218 4.731 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.232 -2.020 4.768 1.00 0.00 C ATOM 838 CD2 LEU A 51 2.969 -3.293 6.048 1.00 0.00 C ATOM 0 H LEU A 51 2.964 -5.288 2.500 1.00 0.00 H new ATOM 0 HA LEU A 51 2.806 -5.842 5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.790 -4.441 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.660 -4.621 5.355 1.00 0.00 H new ATOM 0 HG LEU A 51 2.888 -3.104 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.805 -1.103 4.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.680 -1.966 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.532 -2.138 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.546 -2.378 6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.273 -3.407 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.645 -4.147 6.021 1.00 0.00 H new ATOM 850 N GLN A 52 1.165 -7.708 5.195 1.00 0.00 N ATOM 851 CA GLN A 52 0.361 -8.948 5.009 1.00 0.00 C ATOM 852 C GLN A 52 -1.075 -8.567 4.683 1.00 0.00 C ATOM 853 O GLN A 52 -1.752 -7.928 5.459 1.00 0.00 O ATOM 854 CB GLN A 52 0.393 -9.777 6.296 1.00 0.00 C ATOM 855 CG GLN A 52 -0.406 -11.067 6.083 1.00 0.00 C ATOM 856 CD GLN A 52 -0.233 -11.994 7.288 1.00 0.00 C ATOM 857 OE1 GLN A 52 0.669 -11.812 8.083 1.00 0.00 O ATOM 858 NE2 GLN A 52 -1.061 -12.987 7.455 1.00 0.00 N ATOM 0 H GLN A 52 1.424 -7.506 6.161 1.00 0.00 H new ATOM 0 HA GLN A 52 0.778 -9.537 4.192 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.422 -10.013 6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.030 -9.205 7.122 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.461 -10.832 5.943 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.068 -11.569 5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.817 -13.138 6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.953 -13.613 8.253 1.00 0.00 H new ATOM 867 N THR A 53 -1.536 -8.956 3.526 1.00 0.00 N ATOM 868 CA THR A 53 -2.930 -8.624 3.109 1.00 0.00 C ATOM 869 C THR A 53 -3.829 -9.834 3.318 1.00 0.00 C ATOM 870 O THR A 53 -3.695 -10.844 2.660 1.00 0.00 O ATOM 871 CB THR A 53 -2.936 -8.224 1.628 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.742 -9.375 0.819 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.813 -7.220 1.362 1.00 0.00 C ATOM 0 H THR A 53 -1.002 -9.495 2.844 1.00 0.00 H new ATOM 0 HA THR A 53 -3.302 -7.794 3.710 1.00 0.00 H new ATOM 0 HB THR A 53 -3.896 -7.769 1.385 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.320 -10.081 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.819 -6.937 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.965 -6.333 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.853 -7.673 1.610 1.00 0.00 H new ATOM 881 N ASN A 54 -4.757 -9.722 4.231 1.00 0.00 N ATOM 882 CA ASN A 54 -5.698 -10.849 4.506 1.00 0.00 C ATOM 883 C ASN A 54 -7.043 -10.545 3.855 1.00 0.00 C ATOM 884 O ASN A 54 -7.909 -9.927 4.439 1.00 0.00 O ATOM 885 CB ASN A 54 -5.867 -11.010 6.017 1.00 0.00 C ATOM 886 CG ASN A 54 -6.736 -12.235 6.296 1.00 0.00 C ATOM 887 OD1 ASN A 54 -6.733 -12.761 7.487 1.00 0.00 O flip ATOM 888 ND2 ASN A 54 -7.423 -12.719 5.416 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.905 -8.891 4.803 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.302 -11.777 4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.894 -11.123 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.328 -10.118 6.441 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.424 -12.305 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.998 -13.539 5.611 1.00 0.00 H new ATOM 895 N THR A 55 -7.207 -10.988 2.639 1.00 0.00 N ATOM 896 CA THR A 55 -8.476 -10.749 1.896 1.00 0.00 C ATOM 897 C THR A 55 -9.448 -11.893 2.148 1.00 0.00 C ATOM 898 O THR A 55 -9.089 -13.053 2.106 1.00 0.00 O ATOM 899 CB THR A 55 -8.181 -10.651 0.395 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.430 -9.472 0.144 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.499 -10.589 -0.385 1.00 0.00 C ATOM 0 H THR A 55 -6.503 -11.514 2.121 1.00 0.00 H new ATOM 0 HA THR A 55 -8.922 -9.817 2.242 1.00 0.00 H new ATOM 0 HB THR A 55 -7.613 -11.525 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.237 -9.405 -0.814 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.287 -10.519 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.081 -11.490 -0.188 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.067 -9.714 -0.070 1.00 0.00 H new ATOM 909 N TYR A 56 -10.685 -11.556 2.400 1.00 0.00 N ATOM 910 CA TYR A 56 -11.725 -12.594 2.655 1.00 0.00 C ATOM 911 C TYR A 56 -12.724 -12.594 1.505 1.00 0.00 C ATOM 912 O TYR A 56 -13.185 -11.559 1.065 1.00 0.00 O ATOM 913 CB TYR A 56 -12.442 -12.283 3.968 1.00 0.00 C ATOM 914 CG TYR A 56 -11.417 -12.023 5.048 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.931 -13.083 5.823 1.00 0.00 C ATOM 916 CD2 TYR A 56 -10.953 -10.721 5.273 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.983 -12.839 6.824 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.004 -10.478 6.273 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.519 -11.538 7.049 1.00 0.00 C ATOM 920 OH TYR A 56 -8.586 -11.299 8.037 1.00 0.00 O ATOM 0 H TYR A 56 -11.022 -10.594 2.440 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.258 -13.576 2.728 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.087 -11.413 3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.083 -13.118 4.252 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.287 -14.088 5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.328 -9.904 4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.609 -13.656 7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.646 -9.474 6.446 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.071 -12.116 8.205 1.00 0.00 H new ATOM 930 N TYR A 57 -13.053 -13.762 1.016 1.00 0.00 N ATOM 931 CA TYR A 57 -14.020 -13.868 -0.116 1.00 0.00 C ATOM 932 C TYR A 57 -15.047 -14.948 0.187 1.00 0.00 C ATOM 933 O TYR A 57 -14.719 -16.074 0.500 1.00 0.00 O ATOM 934 CB TYR A 57 -13.265 -14.222 -1.398 1.00 0.00 C ATOM 935 CG TYR A 57 -12.615 -15.577 -1.255 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.331 -15.684 -0.708 1.00 0.00 C ATOM 937 CD2 TYR A 57 -13.296 -16.728 -1.670 1.00 0.00 C ATOM 938 CE1 TYR A 57 -10.729 -16.941 -0.575 1.00 0.00 C ATOM 939 CE2 TYR A 57 -12.693 -17.985 -1.537 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.409 -18.091 -0.990 1.00 0.00 C ATOM 941 OH TYR A 57 -10.815 -19.330 -0.856 1.00 0.00 O ATOM 0 H TYR A 57 -12.690 -14.653 1.355 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.531 -12.914 -0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.951 -14.226 -2.245 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.508 -13.466 -1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -10.805 -14.797 -0.388 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.286 -16.646 -2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -9.739 -17.023 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.219 -18.873 -1.857 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.423 -20.022 -1.191 1.00 0.00 H new ATOM 951 N SER A 58 -16.295 -14.589 0.091 1.00 0.00 N ATOM 952 CA SER A 58 -17.402 -15.549 0.357 1.00 0.00 C ATOM 953 C SER A 58 -18.498 -15.371 -0.689 1.00 0.00 C ATOM 954 O SER A 58 -18.493 -14.432 -1.461 1.00 0.00 O ATOM 955 CB SER A 58 -17.981 -15.292 1.742 1.00 0.00 C ATOM 956 OG SER A 58 -18.887 -14.200 1.675 1.00 0.00 O ATOM 0 H SER A 58 -16.601 -13.651 -0.166 1.00 0.00 H new ATOM 0 HA SER A 58 -17.013 -16.566 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.493 -16.183 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.181 -15.073 2.449 1.00 0.00 H new ATOM 0 HG SER A 58 -19.735 -14.452 2.096 1.00 0.00 H new ATOM 962 N ASP A 59 -19.433 -16.279 -0.711 1.00 0.00 N ATOM 963 CA ASP A 59 -20.545 -16.200 -1.697 1.00 0.00 C ATOM 964 C ASP A 59 -21.354 -14.926 -1.450 1.00 0.00 C ATOM 965 O ASP A 59 -21.819 -14.291 -2.374 1.00 0.00 O ATOM 966 CB ASP A 59 -21.455 -17.431 -1.547 1.00 0.00 C ATOM 967 CG ASP A 59 -22.012 -17.522 -0.119 1.00 0.00 C ATOM 968 OD1 ASP A 59 -21.582 -16.751 0.720 1.00 0.00 O ATOM 969 OD2 ASP A 59 -22.862 -18.368 0.107 1.00 0.00 O ATOM 0 H ASP A 59 -19.474 -17.080 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.136 -16.178 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.277 -17.371 -2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.894 -18.335 -1.782 1.00 0.00 H new ATOM 974 N THR A 60 -21.524 -14.555 -0.209 1.00 0.00 N ATOM 975 CA THR A 60 -22.301 -13.324 0.115 1.00 0.00 C ATOM 976 C THR A 60 -21.474 -12.090 -0.244 1.00 0.00 C ATOM 977 O THR A 60 -21.987 -11.120 -0.769 1.00 0.00 O ATOM 978 CB THR A 60 -22.606 -13.293 1.620 1.00 0.00 C ATOM 979 OG1 THR A 60 -21.415 -13.526 2.358 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.635 -14.369 1.960 1.00 0.00 C ATOM 0 H THR A 60 -21.155 -15.056 0.599 1.00 0.00 H new ATOM 0 HA THR A 60 -23.231 -13.326 -0.453 1.00 0.00 H new ATOM 0 HB THR A 60 -23.006 -12.314 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 60 -21.615 -13.504 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.848 -14.344 3.029 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.553 -14.184 1.402 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.239 -15.349 1.692 1.00 0.00 H new ATOM 988 N LEU A 61 -20.199 -12.124 0.044 1.00 0.00 N ATOM 989 CA LEU A 61 -19.314 -10.963 -0.264 1.00 0.00 C ATOM 990 C LEU A 61 -19.252 -10.758 -1.772 1.00 0.00 C ATOM 991 O LEU A 61 -19.287 -9.646 -2.260 1.00 0.00 O ATOM 992 CB LEU A 61 -17.901 -11.247 0.265 1.00 0.00 C ATOM 993 CG LEU A 61 -17.909 -11.241 1.798 1.00 0.00 C ATOM 994 CD1 LEU A 61 -16.558 -11.750 2.313 1.00 0.00 C ATOM 995 CD2 LEU A 61 -18.158 -9.813 2.324 1.00 0.00 C ATOM 0 H LEU A 61 -19.729 -12.915 0.484 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.712 -10.066 0.211 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.553 -12.212 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.206 -10.495 -0.107 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.708 -11.891 2.154 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -16.560 -11.747 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -16.390 -12.765 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.762 -11.100 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -18.161 -9.822 3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.368 -9.152 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.121 -9.454 1.961 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.156 -11.829 -2.501 1.00 0.00 N ATOM 1008 CA HIS A 62 -19.086 -11.737 -3.982 1.00 0.00 C ATOM 1009 C HIS A 62 -20.414 -11.190 -4.508 1.00 0.00 C ATOM 1010 O HIS A 62 -20.449 -10.389 -5.420 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.841 -13.135 -4.560 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.724 -13.045 -6.056 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.595 -12.537 -6.676 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -19.588 -13.386 -7.067 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -17.807 -12.584 -8.004 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -19.006 -13.093 -8.297 1.00 0.00 N ATOM 0 H HIS A 62 -19.123 -12.778 -2.129 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.273 -11.074 -4.279 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.930 -13.560 -4.138 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.660 -13.801 -4.288 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -20.569 -13.816 -6.929 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -17.094 -12.250 -8.743 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -19.409 -13.236 -9.223 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.499 -11.625 -3.929 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.841 -11.151 -4.366 1.00 0.00 C ATOM 1026 C LYS A 63 -22.951 -9.646 -4.124 1.00 0.00 C ATOM 1027 O LYS A 63 -23.492 -8.917 -4.932 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.919 -11.878 -3.556 1.00 0.00 C ATOM 1029 CG LYS A 63 -25.304 -11.491 -4.083 1.00 0.00 C ATOM 1030 CD LYS A 63 -26.380 -12.343 -3.393 1.00 0.00 C ATOM 1031 CE LYS A 63 -26.603 -11.844 -1.961 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.837 -12.462 -1.403 1.00 0.00 N ATOM 0 H LYS A 63 -21.512 -12.297 -3.162 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.977 -11.359 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.779 -12.956 -3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.834 -11.617 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -25.491 -10.433 -3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -25.347 -11.639 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -27.313 -12.291 -3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.074 -13.389 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.744 -12.097 -1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.693 -10.758 -1.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -27.987 -12.122 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -28.653 -12.199 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.734 -13.497 -1.396 1.00 0.00 H new ATOM 1046 N SER A 64 -22.443 -9.188 -3.015 1.00 0.00 N ATOM 1047 CA SER A 64 -22.506 -7.734 -2.690 1.00 0.00 C ATOM 1048 C SER A 64 -21.413 -6.998 -3.466 1.00 0.00 C ATOM 1049 O SER A 64 -21.322 -5.788 -3.427 1.00 0.00 O ATOM 1050 CB SER A 64 -22.293 -7.543 -1.187 1.00 0.00 C ATOM 1051 OG SER A 64 -20.966 -7.921 -0.845 1.00 0.00 O ATOM 0 H SER A 64 -21.981 -9.764 -2.311 1.00 0.00 H new ATOM 0 HA SER A 64 -23.480 -7.333 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 64 -22.468 -6.503 -0.913 1.00 0.00 H new ATOM 0 HB3 SER A 64 -23.010 -8.145 -0.628 1.00 0.00 H new ATOM 0 HG SER A 64 -20.623 -8.551 -1.513 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.591 -7.737 -4.165 1.00 0.00 N ATOM 1058 CA ASN A 65 -19.486 -7.129 -4.965 1.00 0.00 C ATOM 1059 C ASN A 65 -18.539 -6.365 -4.046 1.00 0.00 C ATOM 1060 O ASN A 65 -18.001 -5.341 -4.412 1.00 0.00 O ATOM 1061 CB ASN A 65 -20.064 -6.186 -6.022 1.00 0.00 C ATOM 1062 CG ASN A 65 -21.110 -6.929 -6.856 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -20.976 -8.209 -7.067 1.00 0.00 O flip ATOM 1064 ND2 ASN A 65 -22.060 -6.334 -7.326 1.00 0.00 N flip ATOM 0 H ASN A 65 -20.640 -8.755 -4.216 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.931 -7.923 -5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.517 -5.319 -5.542 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.268 -5.814 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -22.167 -5.333 -7.162 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -22.751 -6.836 -7.884 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.324 -6.873 -2.860 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.399 -6.205 -1.890 1.00 0.00 C ATOM 1073 C ILE A 66 -16.279 -7.162 -1.490 1.00 0.00 C ATOM 1074 O ILE A 66 -16.508 -8.304 -1.139 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.180 -5.768 -0.646 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.159 -4.650 -1.029 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.201 -5.259 0.419 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.119 -4.376 0.133 1.00 0.00 C ATOM 0 H ILE A 66 -18.754 -7.732 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.960 -5.327 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.737 -6.615 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -18.609 -3.743 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -19.722 -4.936 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.756 -4.948 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.508 -6.056 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.643 -4.410 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.811 -3.581 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.680 -5.282 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.550 -4.070 1.011 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.063 -6.678 -1.540 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.878 -7.514 -1.166 1.00 0.00 C ATOM 1092 C TYR A 67 -13.199 -6.903 0.067 1.00 0.00 C ATOM 1093 O TYR A 67 -12.360 -6.028 -0.050 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.886 -7.551 -2.324 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.503 -8.303 -3.480 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.329 -9.689 -3.587 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -14.246 -7.615 -4.443 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -13.902 -10.385 -4.659 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.818 -8.309 -5.515 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.645 -9.695 -5.623 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.209 -10.381 -6.681 1.00 0.00 O ATOM 0 H TYR A 67 -14.837 -5.726 -1.828 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.206 -8.529 -0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.627 -6.537 -2.630 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.961 -8.035 -2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.753 -10.220 -2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.379 -6.546 -4.360 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -13.770 -11.454 -4.741 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.392 -7.777 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.919 -10.969 -6.348 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.567 -7.351 1.245 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.990 -6.841 2.517 1.00 0.00 C ATOM 1113 C PRO A 68 -11.627 -7.450 2.828 1.00 0.00 C ATOM 1114 O PRO A 68 -11.377 -8.607 2.556 1.00 0.00 O ATOM 1115 CB PRO A 68 -14.035 -7.239 3.564 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.673 -8.481 3.020 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.568 -8.402 1.494 1.00 0.00 C ATOM 0 HA PRO A 68 -12.801 -5.768 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.572 -7.425 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.771 -6.448 3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.169 -9.371 3.396 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.715 -8.549 3.333 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.256 -9.356 1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.528 -8.150 1.043 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.751 -6.672 3.405 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.401 -7.191 3.753 1.00 0.00 C ATOM 1127 C PHE A 69 -8.807 -6.384 4.912 1.00 0.00 C ATOM 1128 O PHE A 69 -9.196 -5.255 5.182 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.480 -7.099 2.532 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.210 -5.655 2.178 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -9.059 -4.977 1.294 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -7.098 -4.998 2.720 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.797 -3.643 0.953 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.837 -3.664 2.381 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.686 -2.988 1.498 1.00 0.00 C ATOM 0 H PHE A 69 -10.915 -5.696 3.650 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.492 -8.233 4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.540 -7.610 2.739 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.939 -7.607 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.916 -5.483 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.441 -5.520 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.451 -3.121 0.271 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.981 -3.158 2.801 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.484 -1.960 1.236 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.857 -6.975 5.594 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.192 -6.298 6.748 1.00 0.00 C ATOM 1147 C ILE A 70 -5.678 -6.436 6.618 1.00 0.00 C ATOM 1148 O ILE A 70 -5.164 -7.459 6.211 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.648 -6.935 8.060 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.159 -6.737 8.227 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.913 -6.259 9.221 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.663 -7.583 9.398 1.00 0.00 C ATOM 0 H ILE A 70 -7.510 -7.913 5.396 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.465 -5.243 6.747 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.424 -8.002 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.380 -5.685 8.404 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.676 -7.022 7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.231 -6.706 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.838 -6.395 9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.146 -5.194 9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.737 -7.440 9.514 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.456 -8.635 9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.155 -7.277 10.313 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.967 -5.393 6.954 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.478 -5.412 6.851 1.00 0.00 C ATOM 1166 C LEU A 71 -2.864 -5.631 8.231 1.00 0.00 C ATOM 1167 O LEU A 71 -3.228 -4.997 9.200 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.990 -4.076 6.278 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.713 -3.785 4.957 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.176 -2.484 4.355 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.488 -4.940 3.971 1.00 0.00 C ATOM 0 H LEU A 71 -5.359 -4.517 7.300 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.174 -6.225 6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.178 -3.273 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.913 -4.111 6.114 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.781 -3.683 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.690 -2.278 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.348 -1.663 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.107 -2.584 4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.005 -4.726 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.421 -5.052 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.878 -5.864 4.398 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.924 -6.536 8.305 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.242 -6.847 9.598 1.00 0.00 C ATOM 1185 C TYR A 72 0.270 -6.748 9.425 1.00 0.00 C ATOM 1186 O TYR A 72 0.814 -7.069 8.384 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.598 -8.270 10.033 1.00 0.00 C ATOM 1188 CG TYR A 72 -3.068 -8.347 10.365 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.538 -7.796 11.563 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.957 -8.969 9.483 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.899 -7.868 11.878 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.318 -9.044 9.798 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.789 -8.492 10.996 1.00 0.00 C ATOM 1194 OH TYR A 72 -7.131 -8.569 11.309 1.00 0.00 O ATOM 0 H TYR A 72 -1.594 -7.083 7.510 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.571 -6.133 10.353 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.358 -8.975 9.237 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.004 -8.555 10.901 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.850 -7.316 12.243 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.593 -9.392 8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.263 -7.442 12.801 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.005 -9.527 9.118 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.280 -9.311 11.932 1.00 0.00 H new ATOM 1204 N TYR A 73 0.952 -6.310 10.450 1.00 0.00 N ATOM 1205 CA TYR A 73 2.436 -6.190 10.379 1.00 0.00 C ATOM 1206 C TYR A 73 3.057 -6.487 11.753 1.00 0.00 C ATOM 1207 O TYR A 73 2.909 -5.738 12.701 1.00 0.00 O ATOM 1208 CB TYR A 73 2.810 -4.780 9.917 1.00 0.00 C ATOM 1209 CG TYR A 73 4.308 -4.687 9.745 1.00 0.00 C ATOM 1210 CD1 TYR A 73 4.916 -5.205 8.593 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.092 -4.088 10.739 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.305 -5.124 8.437 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.479 -4.006 10.581 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.086 -4.525 9.432 1.00 0.00 C ATOM 1215 OH TYR A 73 8.455 -4.447 9.279 1.00 0.00 O ATOM 0 H TYR A 73 0.540 -6.028 11.340 1.00 0.00 H new ATOM 0 HA TYR A 73 2.824 -6.915 9.663 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.310 -4.550 8.976 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.471 -4.045 10.647 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.313 -5.667 7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.625 -3.689 11.628 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.773 -5.523 7.550 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.082 -3.541 11.347 1.00 0.00 H new ATOM 0 HH TYR A 73 8.846 -4.001 10.059 1.00 0.00 H new ATOM 1225 N GLN A 74 3.757 -7.590 11.830 1.00 0.00 N ATOM 1226 CA GLN A 74 4.442 -8.036 13.086 1.00 0.00 C ATOM 1227 C GLN A 74 3.486 -7.996 14.284 1.00 0.00 C ATOM 1228 O GLN A 74 3.679 -7.255 15.227 1.00 0.00 O ATOM 1229 CB GLN A 74 5.658 -7.149 13.350 1.00 0.00 C ATOM 1230 CG GLN A 74 6.526 -7.780 14.447 1.00 0.00 C ATOM 1231 CD GLN A 74 7.163 -9.075 13.932 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.888 -9.065 12.957 1.00 0.00 O ATOM 1233 NE2 GLN A 74 6.919 -10.197 14.552 1.00 0.00 N ATOM 0 H GLN A 74 3.887 -8.226 11.043 1.00 0.00 H new ATOM 0 HA GLN A 74 4.767 -9.068 12.954 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.239 -7.030 12.436 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.335 -6.153 13.655 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.303 -7.080 14.755 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.918 -7.989 15.328 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.310 -10.205 15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.337 -11.066 14.218 1.00 0.00 H new ATOM 1242 N LYS A 75 2.472 -8.815 14.245 1.00 0.00 N ATOM 1243 CA LYS A 75 1.488 -8.874 15.363 1.00 0.00 C ATOM 1244 C LYS A 75 1.025 -7.461 15.704 1.00 0.00 C ATOM 1245 O LYS A 75 1.271 -6.959 16.782 1.00 0.00 O ATOM 1246 CB LYS A 75 2.132 -9.530 16.588 1.00 0.00 C ATOM 1247 CG LYS A 75 2.640 -10.935 16.231 1.00 0.00 C ATOM 1248 CD LYS A 75 1.460 -11.863 15.910 1.00 0.00 C ATOM 1249 CE LYS A 75 1.916 -13.321 15.993 1.00 0.00 C ATOM 1250 NZ LYS A 75 0.766 -14.217 15.684 1.00 0.00 N ATOM 0 H LYS A 75 2.281 -9.455 13.475 1.00 0.00 H new ATOM 0 HA LYS A 75 0.627 -9.470 15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.959 -8.916 16.946 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.407 -9.593 17.399 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.311 -10.879 15.374 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.216 -11.343 17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.644 -11.686 16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.076 -11.648 14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.730 -13.500 15.290 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.302 -13.537 16.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.074 -15.209 15.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.003 -14.052 16.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.417 -14.016 14.725 1.00 0.00 H new ATOM 1264 N GLN A 76 0.348 -6.826 14.782 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.151 -5.444 15.023 1.00 0.00 C ATOM 1266 C GLN A 76 -1.053 -5.001 13.869 1.00 0.00 C ATOM 1267 O GLN A 76 -0.813 -5.300 12.715 1.00 0.00 O ATOM 1268 CB GLN A 76 1.033 -4.484 15.137 1.00 0.00 C ATOM 1269 CG GLN A 76 0.535 -3.095 15.550 1.00 0.00 C ATOM 1270 CD GLN A 76 -0.036 -3.152 16.967 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.202 -2.882 17.177 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.740 -3.498 17.957 1.00 0.00 N ATOM 0 H GLN A 76 0.119 -7.211 13.866 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.724 -5.432 15.950 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.747 -4.858 15.871 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.558 -4.424 14.184 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.354 -2.377 15.506 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.229 -2.750 14.853 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.719 -3.725 17.782 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.368 -3.542 18.906 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.094 -4.286 14.199 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.054 -3.797 13.172 1.00 0.00 C ATOM 1283 C LEU A 77 -2.534 -2.514 12.533 1.00 0.00 C ATOM 1284 O LEU A 77 -2.181 -1.568 13.206 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.413 -3.530 13.836 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.425 -3.064 12.779 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.617 -4.163 11.722 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.764 -2.761 13.453 1.00 0.00 C ATOM 0 H LEU A 77 -2.322 -4.016 15.156 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.166 -4.555 12.396 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.774 -4.435 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.307 -2.771 14.611 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.050 -2.163 12.294 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.336 -3.827 10.975 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.663 -4.374 11.239 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.989 -5.068 12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.482 -2.430 12.703 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.138 -3.661 13.941 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.628 -1.975 14.196 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.498 -2.487 11.228 1.00 0.00 N ATOM 1301 CA ILE A 78 -2.013 -1.281 10.494 1.00 0.00 C ATOM 1302 C ILE A 78 -3.202 -0.515 9.918 1.00 0.00 C ATOM 1303 O ILE A 78 -3.330 0.676 10.113 1.00 0.00 O ATOM 1304 CB ILE A 78 -1.093 -1.729 9.351 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.147 -2.436 9.934 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.658 -0.508 8.526 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.206 -1.403 10.358 1.00 0.00 C ATOM 0 H ILE A 78 -2.788 -3.261 10.630 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.466 -0.632 11.178 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.631 -2.422 8.704 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.143 -3.042 10.792 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.569 -3.114 9.192 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.005 -0.831 7.715 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.538 -0.018 8.110 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.122 0.192 9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.074 -1.919 10.767 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.508 -0.815 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.786 -0.742 11.116 1.00 0.00 H new ATOM 1319 N ALA A 79 -4.067 -1.188 9.205 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.245 -0.492 8.609 1.00 0.00 C ATOM 1321 C ALA A 79 -6.348 -1.487 8.256 1.00 0.00 C ATOM 1322 O ALA A 79 -6.114 -2.660 8.046 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.825 0.243 7.338 1.00 0.00 C ATOM 0 H ALA A 79 -4.009 -2.188 9.010 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.625 0.215 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.689 0.749 6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.057 0.978 7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.428 -0.473 6.618 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.555 -0.995 8.179 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.729 -1.846 7.826 1.00 0.00 C ATOM 1331 C ILE A 80 -9.528 -1.161 6.725 1.00 0.00 C ATOM 1332 O ILE A 80 -9.748 0.035 6.751 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.622 -2.041 9.054 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.860 -2.842 10.114 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.888 -2.803 8.642 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.633 -2.817 11.434 1.00 0.00 C ATOM 0 H ILE A 80 -7.782 -0.015 8.350 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.379 -2.819 7.482 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.900 -1.071 9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.726 -3.871 9.779 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.865 -2.421 10.256 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.527 -2.944 9.513 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.426 -2.232 7.886 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.611 -3.775 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.088 -3.388 12.186 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.744 -1.786 11.771 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.618 -3.259 11.287 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.967 -1.917 5.754 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.755 -1.306 4.647 1.00 0.00 C ATOM 1350 C GLY A 81 -11.308 -2.383 3.723 1.00 0.00 C ATOM 1351 O GLY A 81 -10.958 -3.544 3.805 1.00 0.00 O ATOM 0 H GLY A 81 -9.815 -2.923 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.575 -0.717 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.124 -0.621 4.080 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.180 -1.980 2.837 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.791 -2.937 1.871 1.00 0.00 C ATOM 1357 C PHE A 82 -13.027 -2.235 0.537 1.00 0.00 C ATOM 1358 O PHE A 82 -13.018 -1.024 0.448 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.120 -3.464 2.424 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.118 -2.337 2.561 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.938 -1.993 1.479 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.238 -1.645 3.772 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.873 -0.959 1.608 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.175 -0.611 3.901 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.992 -0.269 2.818 1.00 0.00 C ATOM 0 H PHE A 82 -12.498 -1.016 2.741 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.113 -3.777 1.722 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.518 -4.232 1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.957 -3.934 3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.849 -2.526 0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.607 -1.908 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.503 -0.694 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.266 -0.078 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.714 0.528 2.917 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.223 -3.001 -0.505 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.442 -2.413 -1.862 1.00 0.00 C ATOM 1377 C ILE A 83 -14.932 -2.404 -2.201 1.00 0.00 C ATOM 1378 O ILE A 83 -15.607 -3.417 -2.142 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.679 -3.238 -2.903 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.181 -3.205 -2.579 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.910 -2.638 -4.291 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.439 -4.216 -3.457 1.00 0.00 C ATOM 0 H ILE A 83 -13.241 -4.020 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.076 -1.386 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.034 -4.268 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.785 -2.204 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.022 -3.438 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.368 -3.222 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.975 -2.654 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.551 -1.609 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.375 -4.189 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.827 -5.217 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.586 -3.963 -4.507 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.430 -1.246 -2.549 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.872 -1.087 -2.892 1.00 0.00 C ATOM 1396 C ASP A 84 -17.108 -1.414 -4.370 1.00 0.00 C ATOM 1397 O ASP A 84 -16.193 -1.713 -5.111 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.300 0.362 -2.627 1.00 0.00 C ATOM 1399 CG ASP A 84 -16.852 0.803 -1.228 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -15.870 0.272 -0.742 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -17.504 1.672 -0.669 1.00 0.00 O ATOM 0 H ASP A 84 -14.884 -0.386 -2.611 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.457 -1.771 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.865 1.020 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.383 0.450 -2.714 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.348 -1.358 -4.787 1.00 0.00 N ATOM 1407 CA GLU A 85 -18.701 -1.665 -6.205 1.00 0.00 C ATOM 1408 C GLU A 85 -18.067 -0.621 -7.128 1.00 0.00 C ATOM 1409 O GLU A 85 -17.698 -0.916 -8.247 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.230 -1.635 -6.370 1.00 0.00 C ATOM 1411 CG GLU A 85 -20.596 -2.058 -7.800 1.00 0.00 C ATOM 1412 CD GLU A 85 -22.121 -2.129 -7.953 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -22.803 -2.116 -6.941 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -22.578 -2.201 -9.082 1.00 0.00 O ATOM 0 H GLU A 85 -19.141 -1.109 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.326 -2.655 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.698 -2.306 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.609 -0.634 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -20.183 -1.346 -8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -20.154 -3.029 -8.025 1.00 0.00 H new ATOM 1421 N ASN A 86 -17.950 0.593 -6.661 1.00 0.00 N ATOM 1422 CA ASN A 86 -17.350 1.680 -7.490 1.00 0.00 C ATOM 1423 C ASN A 86 -15.825 1.625 -7.358 1.00 0.00 C ATOM 1424 O ASN A 86 -15.137 2.594 -7.614 1.00 0.00 O ATOM 1425 CB ASN A 86 -17.874 3.035 -6.996 1.00 0.00 C ATOM 1426 CG ASN A 86 -17.301 4.161 -7.862 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -16.405 4.870 -7.444 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -17.787 4.360 -9.056 1.00 0.00 N ATOM 0 H ASN A 86 -18.248 0.882 -5.729 1.00 0.00 H new ATOM 0 HA ASN A 86 -17.624 1.551 -8.537 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.963 3.051 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -17.592 3.186 -5.954 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -17.416 5.110 -9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -18.538 3.766 -9.406 1.00 0.00 H new ATOM 1435 N HIS A 87 -15.307 0.492 -6.955 1.00 0.00 N ATOM 1436 CA HIS A 87 -13.833 0.331 -6.791 1.00 0.00 C ATOM 1437 C HIS A 87 -13.322 1.368 -5.783 1.00 0.00 C ATOM 1438 O HIS A 87 -12.143 1.652 -5.713 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.145 0.500 -8.154 1.00 0.00 C ATOM 1440 CG HIS A 87 -11.658 0.307 -8.003 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -11.088 -0.935 -7.764 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -10.614 1.195 -8.054 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -9.756 -0.758 -7.678 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -9.414 0.521 -7.848 1.00 0.00 N ATOM 0 H HIS A 87 -15.853 -0.340 -6.730 1.00 0.00 H new ATOM 0 HA HIS A 87 -13.602 -0.665 -6.412 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -13.544 -0.223 -8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.353 1.491 -8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -10.709 2.257 -8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.050 -1.554 -7.494 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.475 0.919 -7.831 1.00 0.00 H new ATOM 1452 N ASP A 88 -14.217 1.925 -5.003 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.828 2.951 -3.987 1.00 0.00 C ATOM 1454 C ASP A 88 -13.426 2.280 -2.670 1.00 0.00 C ATOM 1455 O ASP A 88 -14.213 1.615 -2.027 1.00 0.00 O ATOM 1456 CB ASP A 88 -15.008 3.896 -3.746 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.536 5.097 -2.924 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.342 5.341 -2.902 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.377 5.749 -2.326 1.00 0.00 O ATOM 0 H ASP A 88 -15.213 1.709 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.974 3.514 -4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.420 4.232 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.806 3.372 -3.220 1.00 0.00 H new ATOM 1464 N MET A 89 -12.192 2.466 -2.279 1.00 0.00 N ATOM 1465 CA MET A 89 -11.691 1.857 -1.014 1.00 0.00 C ATOM 1466 C MET A 89 -12.147 2.688 0.182 1.00 0.00 C ATOM 1467 O MET A 89 -11.968 3.888 0.231 1.00 0.00 O ATOM 1468 CB MET A 89 -10.158 1.799 -1.049 1.00 0.00 C ATOM 1469 CG MET A 89 -9.711 0.786 -2.105 1.00 0.00 C ATOM 1470 SD MET A 89 -7.903 0.718 -2.159 1.00 0.00 S ATOM 1471 CE MET A 89 -7.760 -0.293 -3.654 1.00 0.00 C ATOM 0 H MET A 89 -11.504 3.020 -2.789 1.00 0.00 H new ATOM 0 HA MET A 89 -12.092 0.848 -0.917 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.751 2.784 -1.279 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.772 1.515 -0.070 1.00 0.00 H new ATOM 0 HG2 MET A 89 -10.115 -0.199 -1.872 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.103 1.068 -3.082 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.968 -1.030 -3.520 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.705 -0.805 -3.839 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.521 0.346 -4.504 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.732 2.033 1.147 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.225 2.727 2.375 1.00 0.00 C ATOM 1483 C ASP A 90 -12.356 2.339 3.567 1.00 0.00 C ATOM 1484 O ASP A 90 -12.055 1.179 3.782 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.673 2.312 2.639 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.582 2.914 1.564 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -15.127 3.801 0.860 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.716 2.476 1.464 1.00 0.00 O ATOM 0 H ASP A 90 -12.893 1.026 1.137 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.174 3.806 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.757 1.225 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.985 2.652 3.626 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.951 3.318 4.335 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.087 3.060 5.530 1.00 0.00 C ATOM 1495 C PHE A 91 -11.888 3.259 6.813 1.00 0.00 C ATOM 1496 O PHE A 91 -12.428 4.317 7.069 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.909 4.033 5.527 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.127 3.885 4.241 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.481 2.678 3.952 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.050 4.954 3.338 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.759 2.540 2.762 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.327 4.815 2.149 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.681 3.607 1.860 1.00 0.00 C ATOM 0 H PHE A 91 -12.185 4.299 4.184 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.725 2.033 5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.270 5.056 5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.262 3.838 6.382 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.540 1.854 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.549 5.886 3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.261 1.608 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.267 5.639 1.454 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.123 3.499 0.942 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.958 2.236 7.617 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.710 2.318 8.904 1.00 0.00 C ATOM 1515 C LEU A 92 -11.725 2.611 10.023 1.00 0.00 C ATOM 1516 O LEU A 92 -12.079 3.182 11.033 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.409 0.975 9.178 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.458 0.691 8.087 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.475 1.846 8.026 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -13.765 0.526 6.720 1.00 0.00 C ATOM 0 H LEU A 92 -11.520 1.333 7.436 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.459 3.107 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.673 0.172 9.203 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.888 0.999 10.157 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.983 -0.233 8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -16.214 1.639 7.252 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -15.975 1.942 8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.956 2.776 7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.514 0.325 5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.228 1.441 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.062 -0.306 6.766 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.489 2.242 9.837 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.460 2.513 10.877 1.00 0.00 C ATOM 1534 C TYR A 93 -8.071 2.468 10.245 1.00 0.00 C ATOM 1535 O TYR A 93 -7.576 1.424 9.869 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.561 1.471 11.988 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.541 1.781 13.059 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.774 2.826 13.963 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.366 1.025 13.150 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.831 3.113 14.957 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.424 1.313 14.146 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.657 2.356 15.049 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.729 2.637 16.031 1.00 0.00 O ATOM 0 H TYR A 93 -10.146 1.762 9.005 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.628 3.502 11.303 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.564 1.473 12.414 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.389 0.474 11.583 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.680 3.409 13.893 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.186 0.220 12.453 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.009 3.919 15.653 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.518 0.730 14.217 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.974 2.017 15.954 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.443 3.611 10.141 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.074 3.691 9.549 1.00 0.00 C ATOM 1555 C LEU A 94 -5.067 3.985 10.654 1.00 0.00 C ATOM 1556 O LEU A 94 -5.195 4.938 11.395 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.031 4.806 8.494 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.590 4.992 7.990 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.034 3.650 7.498 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.580 6.001 6.836 1.00 0.00 C ATOM 0 H LEU A 94 -7.827 4.505 10.446 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.825 2.743 9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.688 4.556 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.399 5.738 8.922 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.969 5.361 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.013 3.788 7.142 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.039 2.932 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.655 3.276 6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.559 6.134 6.478 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.205 5.630 6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.969 6.957 7.185 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.061 3.161 10.763 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.024 3.360 11.818 1.00 0.00 C ATOM 1574 C HIS A 95 -1.644 2.974 11.287 1.00 0.00 C ATOM 1575 O HIS A 95 -1.332 1.814 11.101 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.375 2.496 13.024 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.423 2.792 14.147 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.204 2.142 14.274 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.497 3.661 15.205 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.601 2.626 15.375 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.347 3.555 15.980 1.00 0.00 N ATOM 0 H HIS A 95 -3.911 2.351 10.161 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.000 4.410 12.108 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.399 2.693 13.340 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.322 1.441 12.756 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.323 4.327 15.406 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.368 2.303 15.727 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.121 4.075 16.828 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.818 3.958 11.056 1.00 0.00 N ATOM 1590 CA ASN A 96 0.562 3.707 10.545 1.00 0.00 C ATOM 1591 C ASN A 96 1.538 3.663 11.715 1.00 0.00 C ATOM 1592 O ASN A 96 1.293 4.216 12.770 1.00 0.00 O ATOM 1593 CB ASN A 96 0.976 4.839 9.603 1.00 0.00 C ATOM 1594 CG ASN A 96 0.106 4.815 8.349 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.142 3.765 7.787 1.00 0.00 O ATOM 1596 ND2 ASN A 96 -0.378 5.934 7.886 1.00 0.00 N ATOM 0 H ASN A 96 -1.044 4.942 11.202 1.00 0.00 H new ATOM 0 HA ASN A 96 0.577 2.757 10.011 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.875 5.800 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.026 4.731 9.330 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.965 5.929 7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.169 6.814 8.358 1.00 0.00 H new ATOM 1603 N THR A 97 2.642 2.998 11.522 1.00 0.00 N ATOM 1604 CA THR A 97 3.667 2.884 12.597 1.00 0.00 C ATOM 1605 C THR A 97 3.848 4.232 13.295 1.00 0.00 C ATOM 1606 O THR A 97 4.559 5.100 12.828 1.00 0.00 O ATOM 1607 CB THR A 97 4.996 2.428 11.985 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.341 3.283 10.904 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.867 0.987 11.480 1.00 0.00 C ATOM 0 H THR A 97 2.881 2.522 10.652 1.00 0.00 H new ATOM 0 HA THR A 97 3.337 2.151 13.334 1.00 0.00 H new ATOM 0 HB THR A 97 5.776 2.473 12.745 1.00 0.00 H new ATOM 0 HG1 THR A 97 5.352 4.213 11.213 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.814 0.667 11.046 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.610 0.332 12.312 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.085 0.936 10.722 1.00 0.00 H new ATOM 1617 N VAL A 98 3.196 4.389 14.415 1.00 0.00 N ATOM 1618 CA VAL A 98 3.288 5.653 15.193 1.00 0.00 C ATOM 1619 C VAL A 98 3.111 6.851 14.260 1.00 0.00 C ATOM 1620 O VAL A 98 3.940 7.736 14.207 1.00 0.00 O ATOM 1621 CB VAL A 98 4.643 5.715 15.903 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.594 6.772 17.009 1.00 0.00 C ATOM 1623 CG2 VAL A 98 4.951 4.348 16.523 1.00 0.00 C ATOM 0 H VAL A 98 2.592 3.679 14.830 1.00 0.00 H new ATOM 0 HA VAL A 98 2.497 5.682 15.942 1.00 0.00 H new ATOM 0 HB VAL A 98 5.419 5.977 15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.559 6.815 17.514 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.369 7.745 16.573 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.819 6.509 17.729 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.915 4.387 17.030 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.173 4.091 17.242 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.984 3.592 15.739 1.00 0.00 H new ATOM 1633 N MET A 99 2.015 6.878 13.542 1.00 0.00 N ATOM 1634 CA MET A 99 1.739 8.010 12.611 1.00 0.00 C ATOM 1635 C MET A 99 0.345 7.854 11.980 1.00 0.00 C ATOM 1636 O MET A 99 0.194 7.905 10.772 1.00 0.00 O ATOM 1637 CB MET A 99 2.795 8.029 11.503 1.00 0.00 C ATOM 1638 CG MET A 99 2.526 9.209 10.545 1.00 0.00 C ATOM 1639 SD MET A 99 4.093 10.004 10.105 1.00 0.00 S ATOM 1640 CE MET A 99 4.258 11.014 11.600 1.00 0.00 C ATOM 0 H MET A 99 1.295 6.156 13.563 1.00 0.00 H new ATOM 0 HA MET A 99 1.774 8.944 13.172 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.790 8.121 11.938 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.774 7.089 10.952 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.022 8.853 9.646 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.861 9.931 11.019 1.00 0.00 H new ATOM 0 HE1 MET A 99 5.175 11.600 11.544 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.403 11.685 11.682 1.00 0.00 H new ATOM 0 HE3 MET A 99 4.295 10.365 12.475 1.00 0.00 H new ATOM 1650 N PRO A 100 -0.669 7.676 12.787 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.078 7.518 12.296 1.00 0.00 C ATOM 1652 C PRO A 100 -2.575 8.762 11.561 1.00 0.00 C ATOM 1653 O PRO A 100 -2.341 9.875 11.982 1.00 0.00 O ATOM 1654 CB PRO A 100 -2.890 7.275 13.584 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.044 7.835 14.683 1.00 0.00 C ATOM 1656 CD PRO A 100 -0.595 7.615 14.251 1.00 0.00 C ATOM 0 HA PRO A 100 -2.171 6.709 11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.859 7.771 13.540 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.082 6.213 13.735 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.250 8.895 14.833 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.250 7.333 15.629 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.066 8.383 14.653 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.214 6.654 14.595 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.267 8.570 10.469 1.00 0.00 N ATOM 1665 CA LEU A 101 -3.793 9.729 9.686 1.00 0.00 C ATOM 1666 C LEU A 101 -5.306 9.812 9.860 1.00 0.00 C ATOM 1667 O LEU A 101 -5.835 10.835 10.248 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.476 9.528 8.200 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.016 9.099 8.029 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.684 9.000 6.538 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.094 10.131 8.687 1.00 0.00 C ATOM 0 H LEU A 101 -3.492 7.653 10.082 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.326 10.647 10.043 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.138 8.772 7.778 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.658 10.453 7.653 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.869 8.128 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.645 8.695 6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.336 8.264 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.834 9.971 6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.056 9.823 8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.242 11.103 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.327 10.202 9.749 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.007 8.745 9.564 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.495 8.749 9.694 1.00 0.00 C ATOM 1685 C LEU A 102 -7.923 7.778 10.791 1.00 0.00 C ATOM 1686 O LEU A 102 -7.648 6.600 10.737 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.119 8.320 8.359 1.00 0.00 C ATOM 1688 CG LEU A 102 -9.637 8.577 8.393 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -9.928 10.033 8.010 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -10.343 7.641 7.407 1.00 0.00 C ATOM 0 H LEU A 102 -5.608 7.866 9.236 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.833 9.752 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.664 8.875 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.923 7.263 8.177 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.006 8.388 9.401 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.004 10.208 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.434 10.701 8.716 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.553 10.227 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.417 7.826 7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.969 7.824 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -10.146 6.605 7.684 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.619 8.280 11.777 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.102 7.413 12.895 1.00 0.00 C ATOM 1704 C ASP A 103 -10.431 7.963 13.432 1.00 0.00 C ATOM 1705 O ASP A 103 -10.484 8.568 14.484 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.061 7.387 14.025 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.879 6.482 13.650 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.042 5.652 12.774 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.829 6.640 14.253 1.00 0.00 O ATOM 0 H ASP A 103 -8.877 9.264 11.857 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.250 6.399 12.524 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.704 8.398 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.523 7.028 14.945 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.504 7.737 12.713 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.849 8.221 13.166 1.00 0.00 C ATOM 1716 C GLN A 104 -13.639 7.038 13.734 1.00 0.00 C ATOM 1717 O GLN A 104 -13.969 6.096 13.040 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.604 8.827 11.977 1.00 0.00 C ATOM 1719 CG GLN A 104 -14.910 9.457 12.475 1.00 0.00 C ATOM 1720 CD GLN A 104 -15.596 10.212 11.334 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.980 10.510 10.329 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -16.854 10.540 11.449 1.00 0.00 N ATOM 0 H GLN A 104 -11.507 7.235 11.825 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.728 8.983 13.936 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -12.988 9.580 11.485 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -13.818 8.057 11.236 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.573 8.682 12.860 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.703 10.138 13.300 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -17.371 10.290 12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -17.320 11.046 10.696 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.932 7.095 15.005 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.692 5.998 15.672 1.00 0.00 C ATOM 1733 C ARG A 105 -16.128 5.968 15.152 1.00 0.00 C ATOM 1734 O ARG A 105 -16.717 4.917 14.994 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.714 6.243 17.186 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.307 6.047 17.753 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.290 6.394 19.247 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.187 5.457 19.986 1.00 0.00 N ATOM 1739 CZ ARG A 105 -14.413 5.622 21.267 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -13.858 6.612 21.920 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -15.201 4.793 21.892 1.00 0.00 N ATOM 0 H ARG A 105 -13.673 7.867 15.619 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.208 5.046 15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.066 7.253 17.397 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.411 5.556 17.667 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.988 5.015 17.607 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.599 6.678 17.217 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.274 6.324 19.636 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.619 7.423 19.396 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.628 4.682 19.490 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.243 7.264 21.432 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -14.040 6.732 22.916 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.637 4.023 21.385 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.382 4.914 22.888 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.696 7.117 14.905 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.103 7.176 14.417 1.00 0.00 C ATOM 1757 C TYR A 106 -18.203 6.404 13.107 1.00 0.00 C ATOM 1758 O TYR A 106 -19.130 5.649 12.887 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.502 8.638 14.173 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.448 9.409 15.472 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -17.261 10.039 15.868 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -19.588 9.496 16.281 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.215 10.753 17.072 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -19.541 10.212 17.484 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.354 10.839 17.881 1.00 0.00 C ATOM 1766 OH TYR A 106 -18.308 11.544 19.067 1.00 0.00 O ATOM 0 H TYR A 106 -16.242 8.023 15.021 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.769 6.739 15.161 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.831 9.090 13.443 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.507 8.685 13.754 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -16.381 9.974 15.245 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -20.504 9.011 15.977 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -16.299 11.238 17.377 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -20.421 10.280 18.106 1.00 0.00 H new ATOM 0 HH TYR A 106 -19.184 11.505 19.505 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.246 6.589 12.245 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.244 5.874 10.946 1.00 0.00 C ATOM 1778 C LEU A 107 -17.112 4.376 11.212 1.00 0.00 C ATOM 1779 O LEU A 107 -17.750 3.560 10.572 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.045 6.362 10.110 1.00 0.00 C ATOM 1781 CG LEU A 107 -15.975 5.603 8.775 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.281 5.793 7.994 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -14.794 6.128 7.943 1.00 0.00 C ATOM 0 H LEU A 107 -16.454 7.215 12.390 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.168 6.069 10.402 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.136 7.432 9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.121 6.214 10.668 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.832 4.541 8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.222 5.252 7.050 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.115 5.409 8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.435 6.854 7.795 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.747 5.588 6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.931 7.192 7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.865 5.977 8.494 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.269 4.018 12.140 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.054 2.581 12.456 1.00 0.00 C ATOM 1797 C LEU A 108 -17.367 1.969 12.951 1.00 0.00 C ATOM 1798 O LEU A 108 -17.770 0.909 12.517 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.991 2.462 13.570 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.276 1.109 13.457 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.196 1.006 14.532 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -15.286 -0.036 13.624 1.00 0.00 C ATOM 0 H LEU A 108 -15.715 4.668 12.698 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.717 2.055 11.563 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.269 3.274 13.486 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.463 2.555 14.548 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.814 1.033 12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.690 0.044 14.449 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.472 1.809 14.398 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.654 1.091 15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.769 -0.992 13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.761 0.037 14.602 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -16.046 0.033 12.846 1.00 0.00 H new