USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 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=-5.37e-06 X(o=-5.4e-06,f=-0.27) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= -3.99! C(o=-4.9!,f=-2.8!) USER MOD Set 2.2: A 67 TYR OH : rot 110:sc= 1.22 USER MOD Set 2.3: A 86 ASN : amide:sc= -0.0316 K(o=-2.8,f=-5!) USER MOD Set 3.1: A 58 SER OG : rot 165:sc= -0.36 USER MOD Set 3.2: A 60 THR OG1 : rot -89:sc= 0.886 USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 54 ASN :FLIP amide:sc= -1.1! F(o=-0.69,f=-0.026!) USER MOD Set 4.3: A 56 TYR OH : rot -87:sc= 1.07 USER MOD Single : A 2 THR OG1 : rot -29:sc= 0.0791 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -3.96! C(o=-4!,f=-16!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -84:sc= 0.206 USER MOD Single : A 13 ASN : amide:sc= -0.0496 K(o=-0.05,f=-3.3!) USER MOD Single : A 16 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.9!) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0164 (180deg=-0.302) USER MOD Single : A 25 CYS SG : rot 40:sc= 0.193 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -138:sc= 0.467 USER MOD Single : A 48 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.7) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.44! C(o=-1.4!,f=-4.6!) USER MOD Single : A 53 THR OG1 : rot 100:sc= -0.0822 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.957! USER MOD Single : A 62 HIS : no HD1:sc= -0.0571 X(o=-0.057,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 136:sc= -2.14! (180deg=-3.17!) USER MOD Single : A 64 SER OG : rot -16:sc= 0.514 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.957 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.5) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.356! (180deg=0.0818!) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 87 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-2.9!) USER MOD Single : A 89 MET CE :methyl -108:sc= 0 (180deg=-0.226) USER MOD Single : A 96 ASN : amide:sc= -0.227 K(o=-0.23,f=-2!) USER MOD Single : A 97 THR OG1 : rot 170:sc= -0.014 USER MOD Single : A 99 MET CE :methyl -161:sc= -1.39 (180deg=-2.65) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.728 -8.403 19.420 1.00 0.00 N ATOM 21 CA THR A 2 -12.175 -8.221 19.105 1.00 0.00 C ATOM 22 C THR A 2 -12.304 -7.247 17.931 1.00 0.00 C ATOM 23 O THR A 2 -13.384 -6.973 17.449 1.00 0.00 O ATOM 24 CB THR A 2 -12.891 -7.652 20.334 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.350 -6.378 20.655 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.710 -8.602 21.522 1.00 0.00 C ATOM 0 HA THR A 2 -12.626 -9.177 18.839 1.00 0.00 H new ATOM 0 HB THR A 2 -13.954 -7.548 20.115 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.411 -6.342 20.378 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.220 -8.195 22.395 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.133 -9.576 21.276 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.648 -8.712 21.741 1.00 0.00 H new ATOM 34 N LEU A 3 -11.195 -6.728 17.470 1.00 0.00 N ATOM 35 CA LEU A 3 -11.217 -5.774 16.325 1.00 0.00 C ATOM 36 C LEU A 3 -11.735 -6.489 15.073 1.00 0.00 C ATOM 37 O LEU A 3 -12.499 -5.941 14.305 1.00 0.00 O ATOM 38 CB LEU A 3 -9.794 -5.265 16.060 1.00 0.00 C ATOM 39 CG LEU A 3 -9.300 -4.413 17.240 1.00 0.00 C ATOM 40 CD1 LEU A 3 -7.827 -4.046 17.018 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.138 -3.125 17.361 1.00 0.00 C ATOM 0 H LEU A 3 -10.267 -6.928 17.843 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.871 -4.935 16.565 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.122 -6.109 15.907 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.777 -4.674 15.144 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.405 -4.987 18.160 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.473 -3.442 17.853 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.231 -4.956 16.951 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.729 -3.479 16.092 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.776 -2.533 18.201 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.048 -2.545 16.443 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.184 -3.385 17.525 1.00 0.00 H new ATOM 53 N GLU A 4 -11.312 -7.707 14.859 1.00 0.00 N ATOM 54 CA GLU A 4 -11.761 -8.462 13.656 1.00 0.00 C ATOM 55 C GLU A 4 -13.277 -8.681 13.715 1.00 0.00 C ATOM 56 O GLU A 4 -13.966 -8.592 12.719 1.00 0.00 O ATOM 57 CB GLU A 4 -11.046 -9.818 13.619 1.00 0.00 C ATOM 58 CG GLU A 4 -11.220 -10.533 14.964 1.00 0.00 C ATOM 59 CD GLU A 4 -10.432 -11.843 14.958 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.934 -12.207 13.906 1.00 0.00 O ATOM 61 OE2 GLU A 4 -10.338 -12.458 16.006 1.00 0.00 O ATOM 0 H GLU A 4 -10.671 -8.213 15.470 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.519 -7.894 12.758 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.452 -10.432 12.815 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.986 -9.675 13.407 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.873 -9.892 15.775 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -12.276 -10.734 15.146 1.00 0.00 H new ATOM 68 N LEU A 5 -13.793 -8.968 14.878 1.00 0.00 N ATOM 69 CA LEU A 5 -15.256 -9.198 15.022 1.00 0.00 C ATOM 70 C LEU A 5 -16.022 -7.918 14.685 1.00 0.00 C ATOM 71 O LEU A 5 -17.048 -7.952 14.038 1.00 0.00 O ATOM 72 CB LEU A 5 -15.546 -9.618 16.471 1.00 0.00 C ATOM 73 CG LEU A 5 -15.222 -11.116 16.665 1.00 0.00 C ATOM 74 CD1 LEU A 5 -14.900 -11.388 18.140 1.00 0.00 C ATOM 75 CD2 LEU A 5 -16.431 -11.969 16.255 1.00 0.00 C ATOM 0 H LEU A 5 -13.258 -9.054 15.742 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.577 -9.983 14.338 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.950 -9.017 17.158 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.593 -9.431 16.709 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.364 -11.374 16.045 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.672 -12.445 18.274 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -14.040 -10.790 18.441 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.760 -11.122 18.755 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.196 -13.024 16.394 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.289 -11.704 16.872 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.667 -11.785 15.207 1.00 0.00 H new ATOM 87 N GLN A 6 -15.534 -6.790 15.120 1.00 0.00 N ATOM 88 CA GLN A 6 -16.237 -5.513 14.830 1.00 0.00 C ATOM 89 C GLN A 6 -16.274 -5.282 13.320 1.00 0.00 C ATOM 90 O GLN A 6 -17.247 -4.790 12.783 1.00 0.00 O ATOM 91 CB GLN A 6 -15.490 -4.361 15.503 1.00 0.00 C ATOM 92 CG GLN A 6 -15.618 -4.486 17.024 1.00 0.00 C ATOM 93 CD GLN A 6 -14.807 -3.376 17.696 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.256 -2.525 17.028 1.00 0.00 O ATOM 95 NE2 GLN A 6 -14.711 -3.352 18.996 1.00 0.00 N ATOM 0 H GLN A 6 -14.677 -6.699 15.665 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.256 -5.562 15.214 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.439 -4.377 15.214 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.898 -3.406 15.171 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.665 -4.416 17.319 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.260 -5.462 17.351 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.175 -4.068 19.555 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.172 -2.617 19.454 1.00 0.00 H new ATOM 104 N LEU A 7 -15.222 -5.630 12.629 1.00 0.00 N ATOM 105 CA LEU A 7 -15.199 -5.425 11.156 1.00 0.00 C ATOM 106 C LEU A 7 -16.299 -6.258 10.501 1.00 0.00 C ATOM 107 O LEU A 7 -17.011 -5.789 9.637 1.00 0.00 O ATOM 108 CB LEU A 7 -13.838 -5.867 10.605 1.00 0.00 C ATOM 109 CG LEU A 7 -13.804 -5.716 9.075 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.084 -4.257 8.678 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.426 -6.143 8.559 1.00 0.00 C ATOM 0 H LEU A 7 -14.379 -6.047 13.023 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.364 -4.370 10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.045 -5.268 11.054 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.647 -6.905 10.879 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.573 -6.349 8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.057 -4.164 7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.068 -3.963 9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.326 -3.609 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.395 -6.038 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.658 -5.512 9.006 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.243 -7.183 8.828 1.00 0.00 H new ATOM 123 N LYS A 8 -16.438 -7.491 10.901 1.00 0.00 N ATOM 124 CA LYS A 8 -17.484 -8.358 10.298 1.00 0.00 C ATOM 125 C LYS A 8 -18.865 -7.792 10.615 1.00 0.00 C ATOM 126 O LYS A 8 -19.739 -7.753 9.773 1.00 0.00 O ATOM 127 CB LYS A 8 -17.360 -9.770 10.869 1.00 0.00 C ATOM 128 CG LYS A 8 -16.073 -10.415 10.343 1.00 0.00 C ATOM 129 CD LYS A 8 -15.991 -11.875 10.808 1.00 0.00 C ATOM 130 CE LYS A 8 -15.671 -11.945 12.304 1.00 0.00 C ATOM 131 NZ LYS A 8 -15.273 -13.338 12.659 1.00 0.00 N ATOM 0 H LYS A 8 -15.870 -7.936 11.622 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.352 -8.391 9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.344 -9.735 11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.225 -10.369 10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.052 -10.370 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.206 -9.861 10.702 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.936 -12.380 10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.223 -12.401 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.866 -11.251 12.548 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.540 -11.643 12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.055 -13.389 13.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.054 -13.989 12.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.432 -13.609 12.111 1.00 0.00 H new ATOM 145 N HIS A 9 -19.065 -7.348 11.824 1.00 0.00 N ATOM 146 CA HIS A 9 -20.382 -6.781 12.202 1.00 0.00 C ATOM 147 C HIS A 9 -20.616 -5.486 11.421 1.00 0.00 C ATOM 148 O HIS A 9 -21.699 -5.233 10.932 1.00 0.00 O ATOM 149 CB HIS A 9 -20.387 -6.496 13.705 1.00 0.00 C ATOM 150 CG HIS A 9 -20.461 -7.798 14.458 1.00 0.00 C ATOM 151 ND1 HIS A 9 -19.424 -8.718 14.446 1.00 0.00 N ATOM 152 CD2 HIS A 9 -21.437 -8.345 15.253 1.00 0.00 C ATOM 153 CE1 HIS A 9 -19.796 -9.760 15.212 1.00 0.00 C ATOM 154 NE2 HIS A 9 -21.017 -9.583 15.728 1.00 0.00 N ATOM 0 H HIS A 9 -18.367 -7.355 12.568 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.178 -7.488 11.966 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.486 -5.951 13.986 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -21.236 -5.864 13.964 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -18.540 -8.622 13.947 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.388 -7.884 15.476 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.184 -10.632 15.388 1.00 0.00 H new ATOM 162 N TYR A 10 -19.602 -4.668 11.294 1.00 0.00 N ATOM 163 CA TYR A 10 -19.753 -3.393 10.541 1.00 0.00 C ATOM 164 C TYR A 10 -20.092 -3.693 9.079 1.00 0.00 C ATOM 165 O TYR A 10 -20.988 -3.110 8.507 1.00 0.00 O ATOM 166 CB TYR A 10 -18.442 -2.607 10.599 1.00 0.00 C ATOM 167 CG TYR A 10 -18.570 -1.358 9.761 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.186 -0.218 10.292 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.079 -1.343 8.451 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.310 0.937 9.512 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.203 -0.188 7.670 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.818 0.952 8.201 1.00 0.00 C ATOM 173 OH TYR A 10 -18.939 2.092 7.431 1.00 0.00 O ATOM 0 H TYR A 10 -18.673 -4.832 11.682 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.555 -2.807 10.989 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.208 -2.344 11.631 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.620 -3.222 10.232 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.565 -0.230 11.303 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.604 -2.223 8.042 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.785 1.817 9.921 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.825 -0.176 6.659 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.545 1.934 6.548 1.00 0.00 H new ATOM 183 N ILE A 11 -19.375 -4.598 8.472 1.00 0.00 N ATOM 184 CA ILE A 11 -19.641 -4.935 7.048 1.00 0.00 C ATOM 185 C ILE A 11 -21.042 -5.530 6.916 1.00 0.00 C ATOM 186 O ILE A 11 -21.782 -5.205 6.010 1.00 0.00 O ATOM 187 CB ILE A 11 -18.606 -5.964 6.580 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.223 -5.310 6.533 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.976 -6.472 5.183 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.154 -6.393 6.378 1.00 0.00 C ATOM 0 H ILE A 11 -18.613 -5.120 8.904 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.573 -4.035 6.437 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.592 -6.802 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.169 -4.608 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.048 -4.738 7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.237 -7.203 4.854 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.960 -6.939 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.994 -5.635 4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.168 -5.929 6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.204 -7.078 7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.327 -6.945 5.454 1.00 0.00 H new ATOM 202 N THR A 12 -21.402 -6.410 7.808 1.00 0.00 N ATOM 203 CA THR A 12 -22.744 -7.046 7.733 1.00 0.00 C ATOM 204 C THR A 12 -23.846 -6.029 8.042 1.00 0.00 C ATOM 205 O THR A 12 -24.883 -6.029 7.416 1.00 0.00 O ATOM 206 CB THR A 12 -22.811 -8.190 8.749 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.441 -7.698 10.027 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.854 -9.308 8.332 1.00 0.00 C ATOM 0 H THR A 12 -20.821 -6.716 8.588 1.00 0.00 H new ATOM 0 HA THR A 12 -22.897 -7.426 6.723 1.00 0.00 H new ATOM 0 HB THR A 12 -23.826 -8.586 8.787 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.465 -7.705 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.905 -10.120 9.058 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.138 -9.682 7.348 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.836 -8.920 8.293 1.00 0.00 H new ATOM 216 N ASN A 13 -23.644 -5.177 9.011 1.00 0.00 N ATOM 217 CA ASN A 13 -24.698 -4.182 9.362 1.00 0.00 C ATOM 218 C ASN A 13 -24.883 -3.170 8.228 1.00 0.00 C ATOM 219 O ASN A 13 -25.989 -2.870 7.826 1.00 0.00 O ATOM 220 CB ASN A 13 -24.279 -3.445 10.636 1.00 0.00 C ATOM 221 CG ASN A 13 -25.314 -2.372 10.979 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.250 -1.269 10.475 1.00 0.00 O ATOM 223 ND2 ASN A 13 -26.273 -2.653 11.819 1.00 0.00 N ATOM 0 H ASN A 13 -22.795 -5.127 9.574 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.642 -4.704 9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -24.186 -4.151 11.461 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -23.300 -2.987 10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -26.970 -1.946 12.053 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -26.326 -3.580 12.242 1.00 0.00 H new ATOM 230 N LEU A 14 -23.806 -2.638 7.720 1.00 0.00 N ATOM 231 CA LEU A 14 -23.900 -1.636 6.620 1.00 0.00 C ATOM 232 C LEU A 14 -24.486 -2.272 5.362 1.00 0.00 C ATOM 233 O LEU A 14 -25.308 -1.683 4.689 1.00 0.00 O ATOM 234 CB LEU A 14 -22.489 -1.093 6.323 1.00 0.00 C ATOM 235 CG LEU A 14 -22.179 0.132 7.207 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.992 1.356 6.734 1.00 0.00 C ATOM 237 CD2 LEU A 14 -22.510 -0.178 8.678 1.00 0.00 C ATOM 0 H LEU A 14 -22.857 -2.856 8.022 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.557 -0.823 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.749 -1.873 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -22.414 -0.817 5.271 1.00 0.00 H new ATOM 0 HG LEU A 14 -21.117 0.361 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.762 2.212 7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.732 1.589 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -24.057 1.132 6.798 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.287 0.694 9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -23.568 -0.425 8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.910 -1.023 9.016 1.00 0.00 H new ATOM 249 N PHE A 15 -24.063 -3.459 5.031 1.00 0.00 N ATOM 250 CA PHE A 15 -24.583 -4.128 3.807 1.00 0.00 C ATOM 251 C PHE A 15 -25.722 -5.077 4.199 1.00 0.00 C ATOM 252 O PHE A 15 -26.320 -5.722 3.361 1.00 0.00 O ATOM 253 CB PHE A 15 -23.436 -4.904 3.149 1.00 0.00 C ATOM 254 CG PHE A 15 -22.486 -3.933 2.482 1.00 0.00 C ATOM 255 CD1 PHE A 15 -22.810 -3.392 1.233 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.278 -3.581 3.103 1.00 0.00 C ATOM 257 CE1 PHE A 15 -21.933 -2.502 0.604 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.400 -2.688 2.474 1.00 0.00 C ATOM 259 CZ PHE A 15 -20.728 -2.149 1.224 1.00 0.00 C ATOM 0 H PHE A 15 -23.376 -3.997 5.558 1.00 0.00 H new ATOM 0 HA PHE A 15 -24.969 -3.393 3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -22.905 -5.493 3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -23.832 -5.605 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -23.739 -3.662 0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.025 -3.998 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.185 -2.087 -0.361 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.471 -2.416 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.052 -1.461 0.738 1.00 0.00 H new ATOM 269 N ASN A 16 -26.032 -5.152 5.472 1.00 0.00 N ATOM 270 CA ASN A 16 -27.138 -6.044 5.931 1.00 0.00 C ATOM 271 C ASN A 16 -26.897 -7.456 5.412 1.00 0.00 C ATOM 272 O ASN A 16 -27.789 -8.093 4.887 1.00 0.00 O ATOM 273 CB ASN A 16 -28.482 -5.525 5.414 1.00 0.00 C ATOM 274 CG ASN A 16 -29.615 -6.293 6.100 1.00 0.00 C ATOM 275 OD1 ASN A 16 -29.413 -7.389 6.584 1.00 0.00 O ATOM 276 ND2 ASN A 16 -30.804 -5.760 6.167 1.00 0.00 N ATOM 0 H ASN A 16 -25.563 -4.631 6.213 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.161 -6.055 7.021 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.575 -4.458 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.543 -5.652 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -31.563 -6.263 6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.974 -4.840 5.761 1.00 0.00 H new ATOM 283 N LEU A 17 -25.688 -7.949 5.538 1.00 0.00 N ATOM 284 CA LEU A 17 -25.375 -9.321 5.040 1.00 0.00 C ATOM 285 C LEU A 17 -25.459 -10.323 6.200 1.00 0.00 C ATOM 286 O LEU A 17 -25.229 -9.968 7.341 1.00 0.00 O ATOM 287 CB LEU A 17 -23.962 -9.342 4.449 1.00 0.00 C ATOM 288 CG LEU A 17 -23.838 -8.240 3.393 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.365 -8.030 3.037 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.620 -8.625 2.128 1.00 0.00 C ATOM 0 H LEU A 17 -24.904 -7.457 5.966 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.095 -9.598 4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.224 -9.191 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.757 -10.315 4.002 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.251 -7.317 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.281 -7.245 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.813 -7.738 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.951 -8.957 2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.523 -7.833 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.220 -9.554 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.672 -8.762 2.378 1.00 0.00 H new ATOM 302 N PRO A 18 -25.779 -11.572 5.925 1.00 0.00 N ATOM 303 CA PRO A 18 -25.873 -12.620 6.988 1.00 0.00 C ATOM 304 C PRO A 18 -24.624 -12.685 7.877 1.00 0.00 C ATOM 305 O PRO A 18 -23.506 -12.653 7.404 1.00 0.00 O ATOM 306 CB PRO A 18 -26.032 -13.930 6.197 1.00 0.00 C ATOM 307 CG PRO A 18 -26.614 -13.532 4.881 1.00 0.00 C ATOM 308 CD PRO A 18 -26.096 -12.123 4.589 1.00 0.00 C ATOM 0 HA PRO A 18 -26.695 -12.415 7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.072 -14.429 6.067 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.686 -14.628 6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -26.313 -14.227 4.097 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.703 -13.546 4.918 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.215 -12.147 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.846 -11.520 4.077 1.00 0.00 H new ATOM 316 N ARG A 19 -24.822 -12.794 9.165 1.00 0.00 N ATOM 317 CA ARG A 19 -23.675 -12.879 10.116 1.00 0.00 C ATOM 318 C ARG A 19 -23.316 -14.345 10.354 1.00 0.00 C ATOM 319 O ARG A 19 -22.234 -14.664 10.806 1.00 0.00 O ATOM 320 CB ARG A 19 -24.081 -12.235 11.443 1.00 0.00 C ATOM 321 CG ARG A 19 -22.896 -12.250 12.409 1.00 0.00 C ATOM 322 CD ARG A 19 -23.278 -11.498 13.683 1.00 0.00 C ATOM 323 NE ARG A 19 -22.127 -11.509 14.632 1.00 0.00 N ATOM 324 CZ ARG A 19 -21.966 -12.502 15.469 1.00 0.00 C ATOM 325 NH1 ARG A 19 -22.808 -13.502 15.475 1.00 0.00 N ATOM 326 NH2 ARG A 19 -20.960 -12.496 16.299 1.00 0.00 N ATOM 0 H ARG A 19 -25.742 -12.828 9.603 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.812 -12.359 9.699 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.412 -11.210 11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -24.923 -12.774 11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.619 -13.277 12.648 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -22.027 -11.785 11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.555 -10.472 13.443 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -24.149 -11.963 14.145 1.00 0.00 H new ATOM 0 HE ARG A 19 -21.461 -10.737 14.628 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -23.594 -13.510 14.825 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -22.679 -14.274 16.129 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.300 -11.718 16.295 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -20.833 -13.269 16.952 1.00 0.00 H new ATOM 340 N ASP A 20 -24.221 -15.238 10.059 1.00 0.00 N ATOM 341 CA ASP A 20 -23.946 -16.684 10.275 1.00 0.00 C ATOM 342 C ASP A 20 -23.172 -17.243 9.081 1.00 0.00 C ATOM 343 O ASP A 20 -22.927 -18.428 8.991 1.00 0.00 O ATOM 344 CB ASP A 20 -25.276 -17.431 10.430 1.00 0.00 C ATOM 345 CG ASP A 20 -26.033 -17.443 9.097 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.568 -16.807 8.165 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.066 -18.088 9.033 1.00 0.00 O ATOM 0 H ASP A 20 -25.142 -15.026 9.676 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.349 -16.814 11.177 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.091 -18.453 10.761 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.884 -16.952 11.198 1.00 0.00 H new ATOM 352 N GLU A 21 -22.785 -16.397 8.159 1.00 0.00 N ATOM 353 CA GLU A 21 -22.026 -16.880 6.969 1.00 0.00 C ATOM 354 C GLU A 21 -20.528 -16.878 7.282 1.00 0.00 C ATOM 355 O GLU A 21 -19.961 -15.875 7.666 1.00 0.00 O ATOM 356 CB GLU A 21 -22.307 -15.964 5.777 1.00 0.00 C ATOM 357 CG GLU A 21 -21.572 -16.494 4.546 1.00 0.00 C ATOM 358 CD GLU A 21 -21.952 -15.659 3.323 1.00 0.00 C ATOM 359 OE1 GLU A 21 -21.924 -14.444 3.428 1.00 0.00 O ATOM 360 OE2 GLU A 21 -22.265 -16.249 2.302 1.00 0.00 O ATOM 0 H GLU A 21 -22.963 -15.393 8.181 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.340 -17.895 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.379 -15.919 5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.981 -14.948 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.495 -16.452 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.829 -17.540 4.379 1.00 0.00 H new ATOM 367 N LYS A 22 -19.893 -18.006 7.129 1.00 0.00 N ATOM 368 CA LYS A 22 -18.437 -18.103 7.426 1.00 0.00 C ATOM 369 C LYS A 22 -17.619 -17.535 6.267 1.00 0.00 C ATOM 370 O LYS A 22 -17.988 -17.649 5.116 1.00 0.00 O ATOM 371 CB LYS A 22 -18.078 -19.576 7.640 1.00 0.00 C ATOM 372 CG LYS A 22 -18.878 -20.146 8.822 1.00 0.00 C ATOM 373 CD LYS A 22 -18.280 -19.667 10.151 1.00 0.00 C ATOM 374 CE LYS A 22 -18.987 -20.373 11.310 1.00 0.00 C ATOM 375 NZ LYS A 22 -20.419 -19.961 11.341 1.00 0.00 N ATOM 0 H LYS A 22 -20.325 -18.873 6.808 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.209 -17.527 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.293 -20.146 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.010 -19.674 7.832 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.919 -19.832 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.870 -21.235 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.211 -19.879 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.393 -18.587 10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.911 -21.454 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.504 -20.120 12.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.837 -20.227 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.487 -18.931 11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.934 -20.437 10.573 1.00 0.00 H new ATOM 389 N TRP A 23 -16.509 -16.914 6.577 1.00 0.00 N ATOM 390 CA TRP A 23 -15.641 -16.310 5.519 1.00 0.00 C ATOM 391 C TRP A 23 -14.404 -17.186 5.306 1.00 0.00 C ATOM 392 O TRP A 23 -14.089 -18.039 6.111 1.00 0.00 O ATOM 393 CB TRP A 23 -15.210 -14.908 5.982 1.00 0.00 C ATOM 394 CG TRP A 23 -16.266 -13.914 5.614 1.00 0.00 C ATOM 395 CD1 TRP A 23 -16.402 -13.347 4.395 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.338 -13.375 6.440 1.00 0.00 C ATOM 397 NE1 TRP A 23 -17.488 -12.492 4.419 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.098 -12.474 5.657 1.00 0.00 C ATOM 399 CE3 TRP A 23 -17.720 -13.576 7.778 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -19.197 -11.797 6.184 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -18.826 -12.897 8.311 1.00 0.00 C ATOM 402 CH2 TRP A 23 -19.564 -12.010 7.515 1.00 0.00 C ATOM 0 H TRP A 23 -16.163 -16.798 7.529 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.190 -16.240 4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.051 -14.903 7.060 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.262 -14.636 5.518 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.766 -13.532 3.542 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -17.800 -11.941 3.619 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -17.158 -14.258 8.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.761 -11.113 5.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -19.110 -13.059 9.340 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -20.416 -11.492 7.930 1.00 0.00 H new ATOM 413 N GLU A 24 -13.703 -16.971 4.219 1.00 0.00 N ATOM 414 CA GLU A 24 -12.476 -17.772 3.924 1.00 0.00 C ATOM 415 C GLU A 24 -11.246 -16.884 4.092 1.00 0.00 C ATOM 416 O GLU A 24 -11.117 -15.854 3.457 1.00 0.00 O ATOM 417 CB GLU A 24 -12.552 -18.290 2.487 1.00 0.00 C ATOM 418 CG GLU A 24 -13.672 -19.328 2.393 1.00 0.00 C ATOM 419 CD GLU A 24 -13.790 -19.830 0.955 1.00 0.00 C ATOM 420 OE1 GLU A 24 -13.005 -19.394 0.129 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.663 -20.645 0.704 1.00 0.00 O ATOM 0 H GLU A 24 -13.932 -16.267 3.517 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.406 -18.617 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.743 -17.466 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.600 -18.735 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.465 -20.162 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.616 -18.888 2.713 1.00 0.00 H new ATOM 428 N CYS A 25 -10.354 -17.272 4.962 1.00 0.00 N ATOM 429 CA CYS A 25 -9.134 -16.456 5.210 1.00 0.00 C ATOM 430 C CYS A 25 -8.078 -16.742 4.145 1.00 0.00 C ATOM 431 O CYS A 25 -7.700 -17.874 3.921 1.00 0.00 O ATOM 432 CB CYS A 25 -8.567 -16.816 6.585 1.00 0.00 C ATOM 433 SG CYS A 25 -8.480 -18.617 6.747 1.00 0.00 S ATOM 0 H CYS A 25 -10.420 -18.126 5.515 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.398 -15.399 5.173 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.575 -16.381 6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.197 -16.399 7.371 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.088 -19.136 5.621 1.00 0.00 H new ATOM 439 N GLU A 26 -7.590 -15.714 3.499 1.00 0.00 N ATOM 440 CA GLU A 26 -6.538 -15.891 2.452 1.00 0.00 C ATOM 441 C GLU A 26 -5.424 -14.879 2.720 1.00 0.00 C ATOM 442 O GLU A 26 -5.627 -13.683 2.646 1.00 0.00 O ATOM 443 CB GLU A 26 -7.147 -15.643 1.070 1.00 0.00 C ATOM 444 CG GLU A 26 -6.182 -16.140 -0.006 1.00 0.00 C ATOM 445 CD GLU A 26 -6.160 -17.669 -0.002 1.00 0.00 C ATOM 446 OE1 GLU A 26 -6.965 -18.251 0.705 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.338 -18.231 -0.706 1.00 0.00 O ATOM 0 H GLU A 26 -7.879 -14.748 3.654 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.137 -16.904 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.103 -16.160 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.346 -14.580 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.491 -15.772 -0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.181 -15.750 0.180 1.00 0.00 H new ATOM 454 N SER A 27 -4.248 -15.348 3.050 1.00 0.00 N ATOM 455 CA SER A 27 -3.118 -14.417 3.346 1.00 0.00 C ATOM 456 C SER A 27 -2.240 -14.257 2.111 1.00 0.00 C ATOM 457 O SER A 27 -1.662 -15.206 1.623 1.00 0.00 O ATOM 458 CB SER A 27 -2.286 -14.994 4.489 1.00 0.00 C ATOM 459 OG SER A 27 -3.090 -15.071 5.660 1.00 0.00 O ATOM 0 H SER A 27 -4.021 -16.339 3.127 1.00 0.00 H new ATOM 0 HA SER A 27 -3.515 -13.442 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.916 -15.984 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.414 -14.367 4.673 1.00 0.00 H new ATOM 0 HG SER A 27 -2.561 -15.442 6.396 1.00 0.00 H new ATOM 465 N ILE A 28 -2.140 -13.054 1.597 1.00 0.00 N ATOM 466 CA ILE A 28 -1.298 -12.809 0.386 1.00 0.00 C ATOM 467 C ILE A 28 -0.456 -11.551 0.601 1.00 0.00 C ATOM 468 O ILE A 28 -0.945 -10.528 1.036 1.00 0.00 O ATOM 469 CB ILE A 28 -2.202 -12.636 -0.838 1.00 0.00 C ATOM 470 CG1 ILE A 28 -2.997 -13.925 -1.057 1.00 0.00 C ATOM 471 CG2 ILE A 28 -1.343 -12.355 -2.072 1.00 0.00 C ATOM 472 CD1 ILE A 28 -4.029 -13.718 -2.168 1.00 0.00 C ATOM 0 H ILE A 28 -2.609 -12.227 1.968 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.635 -13.658 0.220 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.885 -11.802 -0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.322 -14.738 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.497 -14.215 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.987 -12.232 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.767 -11.443 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.662 -13.190 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.591 -14.640 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.713 -12.918 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.519 -13.449 -3.093 1.00 0.00 H new ATOM 484 N GLU A 29 0.811 -11.628 0.305 1.00 0.00 N ATOM 485 CA GLU A 29 1.701 -10.450 0.494 1.00 0.00 C ATOM 486 C GLU A 29 1.514 -9.464 -0.659 1.00 0.00 C ATOM 487 O GLU A 29 1.621 -9.825 -1.814 1.00 0.00 O ATOM 488 CB GLU A 29 3.153 -10.930 0.526 1.00 0.00 C ATOM 489 CG GLU A 29 3.388 -11.728 1.809 1.00 0.00 C ATOM 490 CD GLU A 29 4.800 -12.314 1.798 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.496 -12.113 0.816 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.160 -12.957 2.770 1.00 0.00 O ATOM 0 H GLU A 29 1.271 -12.461 -0.062 1.00 0.00 H new ATOM 0 HA GLU A 29 1.452 -9.949 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.364 -11.549 -0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.832 -10.078 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.258 -11.084 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.652 -12.528 1.891 1.00 0.00 H new ATOM 499 N GLU A 30 1.239 -8.219 -0.354 1.00 0.00 N ATOM 500 CA GLU A 30 1.044 -7.201 -1.433 1.00 0.00 C ATOM 501 C GLU A 30 1.678 -5.876 -1.014 1.00 0.00 C ATOM 502 O GLU A 30 1.820 -5.580 0.155 1.00 0.00 O ATOM 503 CB GLU A 30 -0.451 -6.988 -1.685 1.00 0.00 C ATOM 504 CG GLU A 30 -1.067 -8.253 -2.289 1.00 0.00 C ATOM 505 CD GLU A 30 -0.462 -8.519 -3.670 1.00 0.00 C ATOM 506 OE1 GLU A 30 0.060 -7.584 -4.256 1.00 0.00 O ATOM 507 OE2 GLU A 30 -0.528 -9.651 -4.117 1.00 0.00 O ATOM 0 H GLU A 30 1.141 -7.864 0.597 1.00 0.00 H new ATOM 0 HA GLU A 30 1.518 -7.560 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.954 -6.740 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.598 -6.145 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.887 -9.105 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.148 -8.138 -2.372 1.00 0.00 H new ATOM 514 N VAL A 31 2.065 -5.084 -1.973 1.00 0.00 N ATOM 515 CA VAL A 31 2.701 -3.774 -1.670 1.00 0.00 C ATOM 516 C VAL A 31 1.631 -2.746 -1.291 1.00 0.00 C ATOM 517 O VAL A 31 0.578 -2.678 -1.893 1.00 0.00 O ATOM 518 CB VAL A 31 3.466 -3.298 -2.905 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.278 -2.049 -2.566 1.00 0.00 C ATOM 520 CG2 VAL A 31 4.418 -4.404 -3.359 1.00 0.00 C ATOM 0 H VAL A 31 1.966 -5.292 -2.967 1.00 0.00 H new ATOM 0 HA VAL A 31 3.388 -3.886 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 31 2.757 -3.062 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.820 -1.716 -3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.606 -1.258 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.988 -2.281 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.968 -4.072 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.121 -4.631 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.846 -5.299 -3.604 1.00 0.00 H new ATOM 530 N ALA A 32 1.902 -1.943 -0.298 1.00 0.00 N ATOM 531 CA ALA A 32 0.916 -0.912 0.131 1.00 0.00 C ATOM 532 C ALA A 32 0.433 -0.125 -1.090 1.00 0.00 C ATOM 533 O ALA A 32 -0.713 0.271 -1.173 1.00 0.00 O ATOM 534 CB ALA A 32 1.597 0.047 1.108 1.00 0.00 C ATOM 0 H ALA A 32 2.770 -1.958 0.237 1.00 0.00 H new ATOM 0 HA ALA A 32 0.065 -1.395 0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.884 0.807 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.951 -0.509 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.443 0.528 0.616 1.00 0.00 H new ATOM 540 N ASP A 33 1.304 0.107 -2.035 1.00 0.00 N ATOM 541 CA ASP A 33 0.914 0.871 -3.253 1.00 0.00 C ATOM 542 C ASP A 33 0.010 0.014 -4.144 1.00 0.00 C ATOM 543 O ASP A 33 -0.670 0.520 -5.014 1.00 0.00 O ATOM 544 CB ASP A 33 2.179 1.238 -4.035 1.00 0.00 C ATOM 545 CG ASP A 33 2.985 2.281 -3.257 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.424 3.316 -2.939 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.149 2.027 -2.996 1.00 0.00 O ATOM 0 H ASP A 33 2.276 -0.203 -2.014 1.00 0.00 H new ATOM 0 HA ASP A 33 0.376 1.771 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.785 0.348 -4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.910 1.630 -5.016 1.00 0.00 H new ATOM 552 N ASP A 34 0.005 -1.280 -3.945 1.00 0.00 N ATOM 553 CA ASP A 34 -0.847 -2.170 -4.792 1.00 0.00 C ATOM 554 C ASP A 34 -2.229 -2.336 -4.155 1.00 0.00 C ATOM 555 O ASP A 34 -3.100 -2.973 -4.712 1.00 0.00 O ATOM 556 CB ASP A 34 -0.184 -3.542 -4.919 1.00 0.00 C ATOM 557 CG ASP A 34 1.087 -3.423 -5.764 1.00 0.00 C ATOM 558 OD1 ASP A 34 1.247 -2.405 -6.419 1.00 0.00 O ATOM 559 OD2 ASP A 34 1.876 -4.352 -5.745 1.00 0.00 O ATOM 0 H ASP A 34 0.555 -1.759 -3.232 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.957 -1.720 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.060 -3.932 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.874 -4.249 -5.380 1.00 0.00 H new ATOM 564 N ILE A 35 -2.436 -1.769 -2.993 1.00 0.00 N ATOM 565 CA ILE A 35 -3.764 -1.888 -2.312 1.00 0.00 C ATOM 566 C ILE A 35 -4.175 -0.518 -1.771 1.00 0.00 C ATOM 567 O ILE A 35 -5.303 -0.098 -1.925 1.00 0.00 O ATOM 568 CB ILE A 35 -3.663 -2.891 -1.145 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.256 -2.832 -0.537 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.939 -4.313 -1.645 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.270 -3.456 0.861 1.00 0.00 C ATOM 0 H ILE A 35 -1.739 -1.226 -2.483 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.508 -2.242 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.403 -2.628 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.551 -3.364 -1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.917 -1.798 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.865 -5.012 -0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.941 -4.361 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.207 -4.579 -2.408 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.269 -3.412 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.962 -2.905 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.590 -4.496 0.792 1.00 0.00 H new ATOM 583 N LEU A 36 -3.273 0.182 -1.132 1.00 0.00 N ATOM 584 CA LEU A 36 -3.625 1.515 -0.572 1.00 0.00 C ATOM 585 C LEU A 36 -3.254 2.615 -1.585 1.00 0.00 C ATOM 586 O LEU A 36 -2.179 2.590 -2.154 1.00 0.00 O ATOM 587 CB LEU A 36 -2.845 1.739 0.723 1.00 0.00 C ATOM 588 CG LEU A 36 -3.051 0.549 1.667 1.00 0.00 C ATOM 589 CD1 LEU A 36 -2.202 0.750 2.925 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.531 0.443 2.061 1.00 0.00 C ATOM 0 H LEU A 36 -2.310 -0.114 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.695 1.553 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.784 1.861 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.178 2.658 1.204 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.750 -0.368 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.345 -0.094 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.150 0.818 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.505 1.670 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.669 -0.405 2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.840 1.359 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.136 0.300 1.166 1.00 0.00 H new ATOM 602 N PRO A 37 -4.121 3.586 -1.806 1.00 0.00 N ATOM 603 CA PRO A 37 -3.835 4.703 -2.757 1.00 0.00 C ATOM 604 C PRO A 37 -2.445 5.321 -2.542 1.00 0.00 C ATOM 605 O PRO A 37 -1.893 5.277 -1.463 1.00 0.00 O ATOM 606 CB PRO A 37 -4.930 5.740 -2.450 1.00 0.00 C ATOM 607 CG PRO A 37 -6.066 4.969 -1.850 1.00 0.00 C ATOM 608 CD PRO A 37 -5.467 3.717 -1.201 1.00 0.00 C ATOM 0 HA PRO A 37 -3.837 4.355 -3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.566 6.500 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.244 6.257 -3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.593 5.572 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.793 4.696 -2.615 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.406 3.823 -0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.078 2.837 -1.401 1.00 0.00 H new ATOM 616 N ASP A 38 -1.883 5.893 -3.576 1.00 0.00 N ATOM 617 CA ASP A 38 -0.533 6.513 -3.458 1.00 0.00 C ATOM 618 C ASP A 38 -0.599 7.683 -2.465 1.00 0.00 C ATOM 619 O ASP A 38 0.328 7.922 -1.715 1.00 0.00 O ATOM 620 CB ASP A 38 -0.093 7.032 -4.841 1.00 0.00 C ATOM 621 CG ASP A 38 0.548 5.902 -5.658 1.00 0.00 C ATOM 622 OD1 ASP A 38 0.698 4.813 -5.127 1.00 0.00 O ATOM 623 OD2 ASP A 38 0.860 6.142 -6.812 1.00 0.00 O ATOM 0 H ASP A 38 -2.306 5.956 -4.502 1.00 0.00 H new ATOM 0 HA ASP A 38 0.185 5.775 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.953 7.433 -5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.617 7.850 -4.720 1.00 0.00 H new ATOM 628 N GLN A 39 -1.684 8.413 -2.455 1.00 0.00 N ATOM 629 CA GLN A 39 -1.807 9.565 -1.514 1.00 0.00 C ATOM 630 C GLN A 39 -1.852 9.050 -0.075 1.00 0.00 C ATOM 631 O GLN A 39 -1.409 9.708 0.843 1.00 0.00 O ATOM 632 CB GLN A 39 -3.092 10.340 -1.818 1.00 0.00 C ATOM 633 CG GLN A 39 -3.157 11.590 -0.936 1.00 0.00 C ATOM 634 CD GLN A 39 -4.433 12.373 -1.248 1.00 0.00 C ATOM 635 OE1 GLN A 39 -5.492 11.796 -1.403 1.00 0.00 O ATOM 636 NE2 GLN A 39 -4.377 13.673 -1.345 1.00 0.00 N ATOM 0 H GLN A 39 -2.491 8.260 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.947 10.224 -1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.118 10.623 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.962 9.708 -1.636 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.141 11.306 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.282 12.216 -1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.488 14.156 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.222 14.206 -1.551 1.00 0.00 H new ATOM 645 N TYR A 40 -2.387 7.875 0.126 1.00 0.00 N ATOM 646 CA TYR A 40 -2.469 7.307 1.502 1.00 0.00 C ATOM 647 C TYR A 40 -1.199 6.500 1.790 1.00 0.00 C ATOM 648 O TYR A 40 -1.045 5.928 2.850 1.00 0.00 O ATOM 649 CB TYR A 40 -3.701 6.391 1.588 1.00 0.00 C ATOM 650 CG TYR A 40 -4.944 7.225 1.824 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.424 8.072 0.816 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.613 7.154 3.054 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.572 8.844 1.037 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.760 7.926 3.274 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.239 8.771 2.266 1.00 0.00 C ATOM 656 OH TYR A 40 -8.370 9.531 2.483 1.00 0.00 O ATOM 0 H TYR A 40 -2.773 7.282 -0.609 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.558 8.108 2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.805 5.819 0.666 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.575 5.672 2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.909 8.130 -0.131 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.243 6.503 3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.943 9.495 0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.275 7.870 4.221 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.710 9.361 3.386 1.00 0.00 H new ATOM 666 N VAL A 41 -0.286 6.465 0.849 1.00 0.00 N ATOM 667 CA VAL A 41 0.996 5.714 1.039 1.00 0.00 C ATOM 668 C VAL A 41 2.165 6.704 1.000 1.00 0.00 C ATOM 669 O VAL A 41 3.223 6.449 1.536 1.00 0.00 O ATOM 670 CB VAL A 41 1.152 4.690 -0.091 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.539 4.042 -0.012 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.071 3.610 0.040 1.00 0.00 C ATOM 0 H VAL A 41 -0.376 6.931 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 41 0.987 5.197 1.998 1.00 0.00 H new ATOM 0 HB VAL A 41 1.044 5.194 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.647 3.315 -0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.306 4.810 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.652 3.540 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.184 2.883 -0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.174 3.107 1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.914 4.072 -0.024 1.00 0.00 H new ATOM 682 N ARG A 42 1.974 7.837 0.369 1.00 0.00 N ATOM 683 CA ARG A 42 3.067 8.849 0.292 1.00 0.00 C ATOM 684 C ARG A 42 3.527 9.209 1.703 1.00 0.00 C ATOM 685 O ARG A 42 4.598 8.828 2.132 1.00 0.00 O ATOM 686 CB ARG A 42 2.545 10.107 -0.409 1.00 0.00 C ATOM 687 CG ARG A 42 3.683 11.121 -0.567 1.00 0.00 C ATOM 688 CD ARG A 42 3.190 12.326 -1.376 1.00 0.00 C ATOM 689 NE ARG A 42 2.117 13.033 -0.619 1.00 0.00 N ATOM 690 CZ ARG A 42 1.457 14.013 -1.177 1.00 0.00 C ATOM 691 NH1 ARG A 42 1.732 14.380 -2.401 1.00 0.00 N ATOM 692 NH2 ARG A 42 0.518 14.630 -0.510 1.00 0.00 N ATOM 0 H ARG A 42 1.106 8.103 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 42 3.905 8.438 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.138 9.848 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.732 10.546 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.032 11.446 0.413 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.531 10.656 -1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.018 13.007 -1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.810 11.996 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 42 1.898 12.751 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.464 13.901 -2.925 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.214 15.146 -2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.301 14.347 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.002 15.395 -0.945 1.00 0.00 H new ATOM 706 N LEU A 43 2.723 9.939 2.429 1.00 0.00 N ATOM 707 CA LEU A 43 3.109 10.324 3.814 1.00 0.00 C ATOM 708 C LEU A 43 3.216 9.066 4.673 1.00 0.00 C ATOM 709 O LEU A 43 4.120 8.917 5.469 1.00 0.00 O ATOM 710 CB LEU A 43 2.040 11.256 4.401 1.00 0.00 C ATOM 711 CG LEU A 43 2.410 11.657 5.838 1.00 0.00 C ATOM 712 CD1 LEU A 43 3.789 12.338 5.865 1.00 0.00 C ATOM 713 CD2 LEU A 43 1.347 12.623 6.376 1.00 0.00 C ATOM 0 H LEU A 43 1.814 10.285 2.120 1.00 0.00 H new ATOM 0 HA LEU A 43 4.069 10.839 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.945 12.147 3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.070 10.758 4.394 1.00 0.00 H new ATOM 0 HG LEU A 43 2.451 10.764 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.037 12.616 6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.543 11.649 5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.766 13.232 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.601 12.913 7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.309 13.511 5.745 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.374 12.133 6.371 1.00 0.00 H new ATOM 725 N GLY A 44 2.286 8.167 4.518 1.00 0.00 N ATOM 726 CA GLY A 44 2.301 6.914 5.319 1.00 0.00 C ATOM 727 C GLY A 44 3.707 6.283 5.304 1.00 0.00 C ATOM 728 O GLY A 44 4.134 5.769 4.287 1.00 0.00 O ATOM 0 H GLY A 44 1.508 8.248 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.002 7.127 6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.575 6.208 4.916 1.00 0.00 H new ATOM 732 N PRO A 45 4.421 6.287 6.413 1.00 0.00 N ATOM 733 CA PRO A 45 5.779 5.664 6.477 1.00 0.00 C ATOM 734 C PRO A 45 5.774 4.248 5.883 1.00 0.00 C ATOM 735 O PRO A 45 6.804 3.623 5.723 1.00 0.00 O ATOM 736 CB PRO A 45 6.094 5.629 7.981 1.00 0.00 C ATOM 737 CG PRO A 45 5.312 6.765 8.560 1.00 0.00 C ATOM 738 CD PRO A 45 4.042 6.885 7.710 1.00 0.00 C ATOM 0 HA PRO A 45 6.520 6.218 5.901 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.799 4.678 8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.162 5.749 8.165 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.065 6.576 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.889 7.689 8.531 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.206 6.354 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.735 7.925 7.596 1.00 0.00 H new ATOM 746 N LEU A 46 4.610 3.749 5.552 1.00 0.00 N ATOM 747 CA LEU A 46 4.499 2.386 4.961 1.00 0.00 C ATOM 748 C LEU A 46 5.239 2.360 3.620 1.00 0.00 C ATOM 749 O LEU A 46 5.928 1.417 3.297 1.00 0.00 O ATOM 750 CB LEU A 46 3.021 2.071 4.719 1.00 0.00 C ATOM 751 CG LEU A 46 2.266 2.005 6.056 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.765 1.862 5.777 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.754 0.806 6.891 1.00 0.00 C ATOM 0 H LEU A 46 3.722 4.237 5.669 1.00 0.00 H new ATOM 0 HA LEU A 46 4.933 1.650 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.579 2.836 4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.926 1.122 4.192 1.00 0.00 H new ATOM 0 HG LEU A 46 2.454 2.919 6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.222 1.814 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.418 2.721 5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.586 0.949 5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.209 0.774 7.835 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.578 -0.117 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.820 0.912 7.091 1.00 0.00 H new ATOM 765 N SER A 47 5.094 3.401 2.844 1.00 0.00 N ATOM 766 CA SER A 47 5.777 3.476 1.517 1.00 0.00 C ATOM 767 C SER A 47 5.542 2.203 0.704 1.00 0.00 C ATOM 768 O SER A 47 4.526 1.548 0.823 1.00 0.00 O ATOM 769 CB SER A 47 7.278 3.665 1.724 1.00 0.00 C ATOM 770 OG SER A 47 7.871 4.068 0.496 1.00 0.00 O ATOM 0 H SER A 47 4.524 4.214 3.076 1.00 0.00 H new ATOM 0 HA SER A 47 5.362 4.322 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.460 4.416 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.729 2.736 2.072 1.00 0.00 H new ATOM 0 HG SER A 47 8.718 3.592 0.370 1.00 0.00 H new ATOM 776 N ASN A 48 6.483 1.870 -0.138 1.00 0.00 N ATOM 777 CA ASN A 48 6.354 0.659 -0.998 1.00 0.00 C ATOM 778 C ASN A 48 6.779 -0.585 -0.216 1.00 0.00 C ATOM 779 O ASN A 48 7.405 -1.479 -0.750 1.00 0.00 O ATOM 780 CB ASN A 48 7.262 0.835 -2.222 1.00 0.00 C ATOM 781 CG ASN A 48 6.857 -0.147 -3.319 1.00 0.00 C ATOM 782 OD1 ASN A 48 6.025 0.161 -4.150 1.00 0.00 O ATOM 783 ND2 ASN A 48 7.414 -1.326 -3.359 1.00 0.00 N ATOM 0 H ASN A 48 7.348 2.394 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 48 5.318 0.536 -1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.191 1.857 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.302 0.670 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.151 -1.990 -4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.112 -1.584 -2.662 1.00 0.00 H new ATOM 790 N LYS A 49 6.450 -0.645 1.045 1.00 0.00 N ATOM 791 CA LYS A 49 6.834 -1.827 1.867 1.00 0.00 C ATOM 792 C LYS A 49 5.824 -2.956 1.659 1.00 0.00 C ATOM 793 O LYS A 49 4.665 -2.723 1.368 1.00 0.00 O ATOM 794 CB LYS A 49 6.862 -1.429 3.341 1.00 0.00 C ATOM 795 CG LYS A 49 8.033 -0.471 3.585 1.00 0.00 C ATOM 796 CD LYS A 49 7.983 0.064 5.022 1.00 0.00 C ATOM 797 CE LYS A 49 8.504 -0.997 5.999 1.00 0.00 C ATOM 798 NZ LYS A 49 8.640 -0.394 7.355 1.00 0.00 N ATOM 0 H LYS A 49 5.930 0.077 1.543 1.00 0.00 H new ATOM 0 HA LYS A 49 7.822 -2.173 1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.922 -0.951 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.966 -2.315 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.978 -0.987 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.989 0.357 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.584 0.970 5.102 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.960 0.337 5.281 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.819 -1.844 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.467 -1.378 5.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.993 -1.111 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.309 0.401 7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.713 -0.050 7.677 1.00 0.00 H new ATOM 812 N ILE A 50 6.258 -4.177 1.806 1.00 0.00 N ATOM 813 CA ILE A 50 5.337 -5.333 1.619 1.00 0.00 C ATOM 814 C ILE A 50 4.583 -5.588 2.923 1.00 0.00 C ATOM 815 O ILE A 50 5.178 -5.849 3.949 1.00 0.00 O ATOM 816 CB ILE A 50 6.155 -6.572 1.245 1.00 0.00 C ATOM 817 CG1 ILE A 50 6.759 -6.380 -0.154 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.252 -7.809 1.247 1.00 0.00 C ATOM 819 CD1 ILE A 50 7.753 -5.208 -0.156 1.00 0.00 C ATOM 0 H ILE A 50 7.217 -4.425 2.049 1.00 0.00 H new ATOM 0 HA ILE A 50 4.624 -5.116 0.824 1.00 0.00 H new ATOM 0 HB ILE A 50 6.954 -6.710 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.265 -7.294 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.965 -6.192 -0.877 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.839 -8.688 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.824 -7.946 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.449 -7.675 0.522 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.171 -5.087 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.237 -4.293 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.557 -5.412 0.551 1.00 0.00 H new ATOM 831 N LEU A 51 3.278 -5.503 2.886 1.00 0.00 N ATOM 832 CA LEU A 51 2.460 -5.725 4.117 1.00 0.00 C ATOM 833 C LEU A 51 1.607 -6.979 3.942 1.00 0.00 C ATOM 834 O LEU A 51 1.119 -7.270 2.864 1.00 0.00 O ATOM 835 CB LEU A 51 1.568 -4.503 4.336 1.00 0.00 C ATOM 836 CG LEU A 51 2.440 -3.241 4.341 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.553 -2.009 4.531 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.470 -3.313 5.480 1.00 0.00 C ATOM 0 H LEU A 51 2.739 -5.287 2.047 1.00 0.00 H new ATOM 0 HA LEU A 51 3.108 -5.863 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.818 -4.439 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.031 -4.593 5.280 1.00 0.00 H new ATOM 0 HG LEU A 51 2.968 -3.170 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.172 -1.112 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.833 -1.950 3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.021 -2.086 5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.083 -2.412 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.951 -3.392 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.107 -4.186 5.340 1.00 0.00 H new ATOM 850 N GLN A 52 1.437 -7.731 4.995 1.00 0.00 N ATOM 851 CA GLN A 52 0.631 -8.973 4.902 1.00 0.00 C ATOM 852 C GLN A 52 -0.843 -8.607 4.754 1.00 0.00 C ATOM 853 O GLN A 52 -1.453 -8.082 5.663 1.00 0.00 O ATOM 854 CB GLN A 52 0.838 -9.790 6.177 1.00 0.00 C ATOM 855 CG GLN A 52 2.210 -10.470 6.133 1.00 0.00 C ATOM 856 CD GLN A 52 3.313 -9.408 6.180 1.00 0.00 C ATOM 857 OE1 GLN A 52 3.214 -8.446 6.916 1.00 0.00 O ATOM 858 NE2 GLN A 52 4.367 -9.541 5.421 1.00 0.00 N ATOM 0 H GLN A 52 1.825 -7.535 5.918 1.00 0.00 H new ATOM 0 HA GLN A 52 0.941 -9.559 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.769 -9.143 7.051 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.052 -10.539 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.315 -11.155 6.975 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.303 -11.065 5.225 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.452 -10.348 4.803 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.106 -8.838 5.446 1.00 0.00 H new ATOM 867 N THR A 53 -1.420 -8.874 3.609 1.00 0.00 N ATOM 868 CA THR A 53 -2.856 -8.536 3.385 1.00 0.00 C ATOM 869 C THR A 53 -3.703 -9.800 3.486 1.00 0.00 C ATOM 870 O THR A 53 -3.557 -10.722 2.709 1.00 0.00 O ATOM 871 CB THR A 53 -3.011 -7.929 1.986 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.269 -6.720 1.919 1.00 0.00 O ATOM 873 CG2 THR A 53 -4.484 -7.640 1.708 1.00 0.00 C ATOM 0 H THR A 53 -0.954 -9.314 2.816 1.00 0.00 H new ATOM 0 HA THR A 53 -3.187 -7.822 4.139 1.00 0.00 H new ATOM 0 HB THR A 53 -2.639 -8.632 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.413 -6.886 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.589 -7.209 0.712 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.054 -8.568 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.863 -6.937 2.450 1.00 0.00 H new ATOM 881 N ASN A 54 -4.599 -9.842 4.439 1.00 0.00 N ATOM 882 CA ASN A 54 -5.479 -11.035 4.603 1.00 0.00 C ATOM 883 C ASN A 54 -6.860 -10.699 4.057 1.00 0.00 C ATOM 884 O ASN A 54 -7.665 -10.068 4.712 1.00 0.00 O ATOM 885 CB ASN A 54 -5.574 -11.390 6.090 1.00 0.00 C ATOM 886 CG ASN A 54 -6.222 -12.765 6.250 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.010 -12.986 7.266 1.00 0.00 O flip ATOM 888 ND2 ASN A 54 -6.008 -13.647 5.443 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.759 -9.095 5.115 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.070 -11.887 4.060 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.580 -11.391 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.160 -10.637 6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.392 -13.473 4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.445 -14.562 5.559 1.00 0.00 H new ATOM 895 N THR A 55 -7.132 -11.111 2.848 1.00 0.00 N ATOM 896 CA THR A 55 -8.452 -10.817 2.224 1.00 0.00 C ATOM 897 C THR A 55 -9.449 -11.914 2.584 1.00 0.00 C ATOM 898 O THR A 55 -9.114 -13.083 2.628 1.00 0.00 O ATOM 899 CB THR A 55 -8.290 -10.757 0.704 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.273 -9.821 0.377 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.610 -10.320 0.066 1.00 0.00 C ATOM 0 H THR A 55 -6.489 -11.644 2.262 1.00 0.00 H new ATOM 0 HA THR A 55 -8.821 -9.860 2.593 1.00 0.00 H new ATOM 0 HB THR A 55 -8.015 -11.742 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.165 -9.781 -0.596 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.494 -10.277 -1.017 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.391 -11.036 0.319 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.886 -9.334 0.440 1.00 0.00 H new ATOM 909 N TYR A 56 -10.676 -11.542 2.836 1.00 0.00 N ATOM 910 CA TYR A 56 -11.728 -12.542 3.185 1.00 0.00 C ATOM 911 C TYR A 56 -12.696 -12.659 2.016 1.00 0.00 C ATOM 912 O TYR A 56 -13.137 -11.666 1.473 1.00 0.00 O ATOM 913 CB TYR A 56 -12.486 -12.060 4.421 1.00 0.00 C ATOM 914 CG TYR A 56 -11.554 -12.060 5.605 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.760 -10.939 5.870 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.481 -13.184 6.437 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.893 -10.940 6.969 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.615 -13.185 7.535 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.821 -12.063 7.801 1.00 0.00 C ATOM 920 OH TYR A 56 -8.966 -12.063 8.885 1.00 0.00 O ATOM 0 H TYR A 56 -10.998 -10.575 2.815 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.272 -13.511 3.391 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -12.880 -11.058 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.340 -12.709 4.615 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.816 -10.073 5.227 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.093 -14.050 6.231 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.280 -10.075 7.175 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.559 -14.051 8.178 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.078 -12.364 8.601 1.00 0.00 H new ATOM 930 N TYR A 57 -13.025 -13.863 1.615 1.00 0.00 N ATOM 931 CA TYR A 57 -13.969 -14.047 0.465 1.00 0.00 C ATOM 932 C TYR A 57 -15.183 -14.854 0.916 1.00 0.00 C ATOM 933 O TYR A 57 -15.062 -15.877 1.560 1.00 0.00 O ATOM 934 CB TYR A 57 -13.250 -14.798 -0.657 1.00 0.00 C ATOM 935 CG TYR A 57 -12.120 -13.945 -1.190 1.00 0.00 C ATOM 936 CD1 TYR A 57 -12.404 -12.756 -1.872 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.788 -14.343 -1.003 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.361 -11.966 -2.369 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.745 -13.553 -1.502 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.031 -12.365 -2.185 1.00 0.00 C ATOM 941 OH TYR A 57 -9.003 -11.586 -2.676 1.00 0.00 O ATOM 0 H TYR A 57 -12.681 -14.727 2.034 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.300 -13.072 0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.860 -15.745 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.950 -15.035 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.429 -12.448 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.567 -15.258 -0.474 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -11.582 -11.049 -2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.719 -13.860 -1.360 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.144 -12.005 -2.462 1.00 0.00 H new ATOM 951 N SER A 58 -16.357 -14.386 0.580 1.00 0.00 N ATOM 952 CA SER A 58 -17.611 -15.098 0.969 1.00 0.00 C ATOM 953 C SER A 58 -18.570 -15.110 -0.223 1.00 0.00 C ATOM 954 O SER A 58 -18.428 -14.346 -1.157 1.00 0.00 O ATOM 955 CB SER A 58 -18.255 -14.369 2.153 1.00 0.00 C ATOM 956 OG SER A 58 -19.666 -14.321 1.977 1.00 0.00 O ATOM 0 H SER A 58 -16.502 -13.529 0.046 1.00 0.00 H new ATOM 0 HA SER A 58 -17.386 -16.124 1.259 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.012 -14.882 3.084 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.854 -13.358 2.232 1.00 0.00 H new ATOM 0 HG SER A 58 -20.093 -14.078 2.825 1.00 0.00 H new ATOM 962 N ASP A 59 -19.548 -15.970 -0.188 1.00 0.00 N ATOM 963 CA ASP A 59 -20.530 -16.044 -1.304 1.00 0.00 C ATOM 964 C ASP A 59 -21.263 -14.705 -1.440 1.00 0.00 C ATOM 965 O ASP A 59 -21.374 -14.151 -2.516 1.00 0.00 O ATOM 966 CB ASP A 59 -21.542 -17.142 -0.983 1.00 0.00 C ATOM 967 CG ASP A 59 -22.576 -17.239 -2.102 1.00 0.00 C ATOM 968 OD1 ASP A 59 -22.349 -16.652 -3.146 1.00 0.00 O ATOM 969 OD2 ASP A 59 -23.577 -17.906 -1.896 1.00 0.00 O ATOM 0 H ASP A 59 -19.710 -16.630 0.572 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.014 -16.263 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.030 -18.097 -0.865 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.037 -16.927 -0.036 1.00 0.00 H new ATOM 974 N THR A 60 -21.769 -14.187 -0.352 1.00 0.00 N ATOM 975 CA THR A 60 -22.503 -12.893 -0.405 1.00 0.00 C ATOM 976 C THR A 60 -21.542 -11.769 -0.791 1.00 0.00 C ATOM 977 O THR A 60 -21.899 -10.848 -1.496 1.00 0.00 O ATOM 978 CB THR A 60 -23.104 -12.604 0.973 1.00 0.00 C ATOM 979 OG1 THR A 60 -22.067 -12.592 1.946 1.00 0.00 O ATOM 980 CG2 THR A 60 -24.120 -13.694 1.322 1.00 0.00 C ATOM 0 H THR A 60 -21.704 -14.608 0.575 1.00 0.00 H new ATOM 0 HA THR A 60 -23.297 -12.953 -1.149 1.00 0.00 H new ATOM 0 HB THR A 60 -23.602 -11.634 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 60 -21.942 -13.496 2.302 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.549 -13.490 2.303 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.913 -13.705 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.622 -14.664 1.338 1.00 0.00 H new ATOM 988 N LEU A 61 -20.323 -11.842 -0.336 1.00 0.00 N ATOM 989 CA LEU A 61 -19.327 -10.790 -0.672 1.00 0.00 C ATOM 990 C LEU A 61 -19.079 -10.801 -2.181 1.00 0.00 C ATOM 991 O LEU A 61 -18.968 -9.767 -2.808 1.00 0.00 O ATOM 992 CB LEU A 61 -18.022 -11.075 0.087 1.00 0.00 C ATOM 993 CG LEU A 61 -18.101 -10.512 1.521 1.00 0.00 C ATOM 994 CD1 LEU A 61 -17.999 -8.976 1.506 1.00 0.00 C ATOM 995 CD2 LEU A 61 -19.425 -10.933 2.183 1.00 0.00 C ATOM 0 H LEU A 61 -19.972 -12.592 0.259 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.700 -9.808 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.840 -12.149 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.181 -10.626 -0.441 1.00 0.00 H new ATOM 0 HG LEU A 61 -17.266 -10.916 2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -18.057 -8.598 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -17.049 -8.679 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -18.819 -8.563 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.470 -10.530 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -20.262 -10.547 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.482 -12.021 2.223 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.997 -11.963 -2.763 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.770 -12.047 -4.227 1.00 0.00 C ATOM 1009 C HIS A 62 -19.921 -11.326 -4.933 1.00 0.00 C ATOM 1010 O HIS A 62 -19.725 -10.607 -5.893 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.747 -13.534 -4.636 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.335 -14.057 -4.619 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -16.351 -13.511 -3.808 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.729 -15.074 -5.311 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -15.216 -14.198 -4.032 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -15.391 -15.161 -4.940 1.00 0.00 N ATOM 0 H HIS A 62 -19.078 -12.860 -2.284 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.823 -11.583 -4.504 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -19.366 -14.116 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.174 -13.651 -5.632 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -17.216 -15.711 -6.034 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.278 -13.995 -3.537 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -14.693 -15.819 -5.287 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.121 -11.517 -4.454 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.299 -10.855 -5.076 1.00 0.00 C ATOM 1026 C LYS A 63 -22.195 -9.336 -4.930 1.00 0.00 C ATOM 1027 O LYS A 63 -22.500 -8.595 -5.843 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.570 -11.346 -4.383 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.820 -12.809 -4.757 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.084 -13.306 -4.054 1.00 0.00 C ATOM 1031 CE LYS A 63 -25.415 -14.718 -4.538 1.00 0.00 C ATOM 1032 NZ LYS A 63 -24.316 -15.647 -4.155 1.00 0.00 N ATOM 0 H LYS A 63 -21.335 -12.109 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.330 -11.104 -6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.469 -11.248 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.420 -10.733 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.930 -12.906 -5.837 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.966 -13.421 -4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.936 -13.306 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.917 -12.634 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.356 -15.052 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -25.547 -14.721 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -24.721 -16.527 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -23.737 -15.864 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -23.721 -15.200 -3.429 1.00 0.00 H new ATOM 1046 N SER A 64 -21.774 -8.863 -3.787 1.00 0.00 N ATOM 1047 CA SER A 64 -21.659 -7.393 -3.583 1.00 0.00 C ATOM 1048 C SER A 64 -20.364 -6.891 -4.223 1.00 0.00 C ATOM 1049 O SER A 64 -20.101 -5.706 -4.264 1.00 0.00 O ATOM 1050 CB SER A 64 -21.653 -7.090 -2.086 1.00 0.00 C ATOM 1051 OG SER A 64 -20.514 -7.693 -1.485 1.00 0.00 O ATOM 0 H SER A 64 -21.505 -9.434 -2.986 1.00 0.00 H new ATOM 0 HA SER A 64 -22.506 -6.888 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.636 -6.013 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.565 -7.469 -1.624 1.00 0.00 H new ATOM 0 HG SER A 64 -20.141 -8.365 -2.093 1.00 0.00 H new ATOM 1057 N ASN A 65 -19.556 -7.791 -4.721 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.273 -7.389 -5.367 1.00 0.00 C ATOM 1059 C ASN A 65 -17.399 -6.644 -4.360 1.00 0.00 C ATOM 1060 O ASN A 65 -16.712 -5.704 -4.705 1.00 0.00 O ATOM 1061 CB ASN A 65 -18.566 -6.490 -6.573 1.00 0.00 C ATOM 1062 CG ASN A 65 -17.312 -6.367 -7.447 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -16.538 -7.404 -7.614 1.00 0.00 O flip ATOM 1064 ND2 ASN A 65 -17.038 -5.315 -7.990 1.00 0.00 N flip ATOM 0 H ASN A 65 -19.733 -8.795 -4.707 1.00 0.00 H new ATOM 0 HA ASN A 65 -17.743 -8.279 -5.705 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.388 -6.905 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.882 -5.503 -6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.641 -4.502 -7.861 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.205 -5.245 -8.574 1.00 0.00 H new ATOM 1071 N ILE A 66 -17.413 -7.070 -3.117 1.00 0.00 N ATOM 1072 CA ILE A 66 -16.575 -6.410 -2.062 1.00 0.00 C ATOM 1073 C ILE A 66 -15.560 -7.413 -1.526 1.00 0.00 C ATOM 1074 O ILE A 66 -15.890 -8.544 -1.227 1.00 0.00 O ATOM 1075 CB ILE A 66 -17.462 -5.928 -0.912 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -18.402 -4.837 -1.428 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -16.579 -5.368 0.213 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.445 -4.507 -0.360 1.00 0.00 C ATOM 0 H ILE A 66 -17.975 -7.854 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.059 -5.555 -2.499 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.051 -6.759 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -17.832 -3.943 -1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -18.895 -5.171 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.209 -5.024 1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.909 -6.149 0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.991 -4.533 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.113 -3.729 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.023 -5.401 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.944 -4.155 0.541 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.322 -7.001 -1.410 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.250 -7.914 -0.897 1.00 0.00 C ATOM 1092 C TYR A 67 -12.637 -7.318 0.378 1.00 0.00 C ATOM 1093 O TYR A 67 -11.667 -6.589 0.316 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.159 -8.046 -1.961 1.00 0.00 C ATOM 1095 CG TYR A 67 -12.795 -8.303 -3.311 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.593 -9.438 -3.502 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -12.586 -7.409 -4.370 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.179 -9.679 -4.750 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -13.172 -7.651 -5.616 1.00 0.00 C ATOM 1100 CZ TYR A 67 -13.969 -8.784 -5.807 1.00 0.00 C ATOM 1101 OH TYR A 67 -14.544 -9.023 -7.039 1.00 0.00 O ATOM 0 H TYR A 67 -14.004 -6.062 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.676 -8.892 -0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.560 -7.136 -1.997 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.484 -8.862 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.756 -10.127 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -11.972 -6.533 -4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.793 -10.555 -4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.009 -6.962 -6.432 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.255 -8.368 -7.201 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.199 -7.614 1.527 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.682 -7.093 2.826 1.00 0.00 C ATOM 1113 C PRO A 68 -11.252 -7.567 3.088 1.00 0.00 C ATOM 1114 O PRO A 68 -10.885 -8.666 2.725 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.657 -7.659 3.883 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.872 -8.085 3.114 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.379 -8.469 1.721 1.00 0.00 C ATOM 0 HA PRO A 68 -12.637 -6.004 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.214 -8.500 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.908 -6.906 4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.364 -8.928 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.602 -7.277 3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.122 -9.527 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.138 -8.284 0.961 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.433 -6.753 3.702 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.036 -7.192 3.961 1.00 0.00 C ATOM 1127 C PHE A 69 -8.433 -6.415 5.129 1.00 0.00 C ATOM 1128 O PHE A 69 -8.856 -5.315 5.453 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.190 -6.970 2.703 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.006 -5.490 2.447 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.967 -4.776 1.720 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.866 -4.835 2.929 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.788 -3.408 1.478 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.686 -3.468 2.685 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.648 -2.756 1.960 1.00 0.00 C ATOM 0 H PHE A 69 -10.669 -5.817 4.030 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.045 -8.251 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.218 -7.449 2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.673 -7.437 1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.846 -5.280 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.125 -5.385 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.530 -2.857 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.806 -2.964 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.510 -1.701 1.772 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.434 -6.986 5.753 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.757 -6.312 6.901 1.00 0.00 C ATOM 1147 C ILE A 70 -5.246 -6.429 6.719 1.00 0.00 C ATOM 1148 O ILE A 70 -4.745 -7.432 6.252 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.168 -6.970 8.216 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.671 -6.781 8.425 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.405 -6.306 9.363 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.137 -7.629 9.609 1.00 0.00 C ATOM 0 H ILE A 70 -7.055 -7.902 5.512 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.050 -5.262 6.930 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.937 -8.035 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.893 -5.730 8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.212 -7.069 7.524 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.692 -6.769 10.307 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.333 -6.432 9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.645 -5.243 9.393 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.208 -7.492 9.755 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.930 -8.680 9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.606 -7.320 10.509 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.523 -5.401 7.066 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.039 -5.426 6.899 1.00 0.00 C ATOM 1166 C LEU A 71 -2.370 -5.711 8.237 1.00 0.00 C ATOM 1167 O LEU A 71 -2.755 -5.180 9.259 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.580 -4.061 6.387 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.377 -3.695 5.132 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.882 -2.353 4.590 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.202 -4.781 4.061 1.00 0.00 C ATOM 0 H LEU A 71 -4.897 -4.538 7.461 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.764 -6.207 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.725 -3.304 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.514 -4.085 6.160 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.434 -3.619 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.448 -2.090 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.021 -1.581 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.824 -2.430 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.773 -4.511 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.147 -4.869 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.562 -5.735 4.448 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.366 -6.552 8.230 1.00 0.00 N ATOM 1184 CA TYR A 72 -0.646 -6.893 9.492 1.00 0.00 C ATOM 1185 C TYR A 72 0.862 -6.765 9.278 1.00 0.00 C ATOM 1186 O TYR A 72 1.403 -7.214 8.281 1.00 0.00 O ATOM 1187 CB TYR A 72 -0.974 -8.333 9.890 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.437 -8.436 10.252 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -2.886 -7.939 11.481 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.343 -9.029 9.364 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.239 -8.036 11.823 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.698 -9.125 9.707 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.145 -8.629 10.937 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.479 -8.725 11.277 1.00 0.00 O ATOM 0 H TYR A 72 -1.013 -7.020 7.396 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.961 -6.209 10.280 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.744 -9.010 9.067 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.357 -8.637 10.736 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.188 -7.480 12.165 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.997 -9.412 8.415 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.584 -7.653 12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.397 -9.582 9.022 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.971 -9.162 10.551 1.00 0.00 H new ATOM 1204 N TYR A 73 1.541 -6.161 10.218 1.00 0.00 N ATOM 1205 CA TYR A 73 3.015 -6.011 10.103 1.00 0.00 C ATOM 1206 C TYR A 73 3.586 -5.555 11.448 1.00 0.00 C ATOM 1207 O TYR A 73 3.194 -4.539 11.980 1.00 0.00 O ATOM 1208 CB TYR A 73 3.359 -4.980 9.030 1.00 0.00 C ATOM 1209 CG TYR A 73 4.857 -4.938 8.850 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.506 -5.977 8.173 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.601 -3.866 9.363 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.895 -5.947 8.009 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.991 -3.836 9.198 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.637 -4.877 8.521 1.00 0.00 C ATOM 1215 OH TYR A 73 9.007 -4.848 8.358 1.00 0.00 O ATOM 0 H TYR A 73 1.132 -5.764 11.064 1.00 0.00 H new ATOM 0 HA TYR A 73 3.448 -6.971 9.824 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.874 -5.240 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.987 -3.997 9.319 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.934 -6.803 7.777 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.102 -3.063 9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.395 -6.750 7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.564 -3.010 9.593 1.00 0.00 H new ATOM 0 HH TYR A 73 9.369 -4.036 8.771 1.00 0.00 H new ATOM 1225 N GLN A 74 4.515 -6.297 11.989 1.00 0.00 N ATOM 1226 CA GLN A 74 5.138 -5.917 13.293 1.00 0.00 C ATOM 1227 C GLN A 74 4.073 -5.532 14.320 1.00 0.00 C ATOM 1228 O GLN A 74 3.669 -6.336 15.134 1.00 0.00 O ATOM 1229 CB GLN A 74 6.069 -4.722 13.085 1.00 0.00 C ATOM 1230 CG GLN A 74 7.208 -5.104 12.137 1.00 0.00 C ATOM 1231 CD GLN A 74 8.082 -6.177 12.788 1.00 0.00 C ATOM 1232 OE1 GLN A 74 8.460 -6.055 13.936 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.424 -7.228 12.096 1.00 0.00 N ATOM 0 H GLN A 74 4.873 -7.160 11.579 1.00 0.00 H new ATOM 0 HA GLN A 74 5.695 -6.777 13.665 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.509 -3.882 12.674 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.476 -4.396 14.042 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.802 -5.474 11.196 1.00 0.00 H new ATOM 0 HG3 GLN A 74 7.809 -4.225 11.902 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.106 -7.330 11.132 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.009 -7.949 12.519 1.00 0.00 H new ATOM 1242 N LYS A 75 3.643 -4.297 14.304 1.00 0.00 N ATOM 1243 CA LYS A 75 2.626 -3.833 15.290 1.00 0.00 C ATOM 1244 C LYS A 75 1.276 -4.496 15.008 1.00 0.00 C ATOM 1245 O LYS A 75 0.258 -3.838 14.915 1.00 0.00 O ATOM 1246 CB LYS A 75 2.493 -2.311 15.194 1.00 0.00 C ATOM 1247 CG LYS A 75 3.792 -1.661 15.683 1.00 0.00 C ATOM 1248 CD LYS A 75 3.670 -0.138 15.610 1.00 0.00 C ATOM 1249 CE LYS A 75 4.965 0.504 16.113 1.00 0.00 C ATOM 1250 NZ LYS A 75 4.840 1.988 16.052 1.00 0.00 N ATOM 0 H LYS A 75 3.956 -3.585 13.644 1.00 0.00 H new ATOM 0 HA LYS A 75 2.943 -4.109 16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.289 -2.016 14.165 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.652 -1.969 15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.000 -1.969 16.708 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.630 -1.997 15.072 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.473 0.173 14.584 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.827 0.199 16.213 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.167 0.187 17.136 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.807 0.174 15.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.743 2.424 16.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.599 2.277 15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.091 2.300 16.702 1.00 0.00 H new ATOM 1264 N GLN A 76 1.268 -5.799 14.885 1.00 0.00 N ATOM 1265 CA GLN A 76 0.005 -6.548 14.626 1.00 0.00 C ATOM 1266 C GLN A 76 -0.885 -5.792 13.640 1.00 0.00 C ATOM 1267 O GLN A 76 -0.542 -5.614 12.491 1.00 0.00 O ATOM 1268 CB GLN A 76 -0.752 -6.743 15.938 1.00 0.00 C ATOM 1269 CG GLN A 76 0.031 -7.678 16.855 1.00 0.00 C ATOM 1270 CD GLN A 76 -0.715 -7.818 18.182 1.00 0.00 C ATOM 1271 OE1 GLN A 76 -1.794 -7.284 18.344 1.00 0.00 O ATOM 1272 NE2 GLN A 76 -0.184 -8.519 19.144 1.00 0.00 N ATOM 0 H GLN A 76 2.100 -6.384 14.955 1.00 0.00 H new ATOM 0 HA GLN A 76 0.262 -7.515 14.195 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.902 -5.781 16.428 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.740 -7.158 15.740 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.148 -8.654 16.385 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.033 -7.284 17.027 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.722 -8.967 19.008 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.674 -8.619 20.033 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.035 -5.370 14.084 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.976 -4.652 13.187 1.00 0.00 C ATOM 1283 C LEU A 77 -2.378 -3.324 12.736 1.00 0.00 C ATOM 1284 O LEU A 77 -1.865 -2.560 13.528 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.282 -4.388 13.941 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.297 -3.697 13.020 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.668 -4.622 11.849 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.547 -3.353 13.834 1.00 0.00 C ATOM 0 H LEU A 77 -2.365 -5.494 15.041 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.166 -5.267 12.307 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.694 -5.328 14.308 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.087 -3.763 14.813 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.860 -2.786 12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.389 -4.120 11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.772 -4.861 11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.107 -5.541 12.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.276 -2.861 13.190 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.980 -4.267 14.240 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.276 -2.685 14.652 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.469 -3.044 11.461 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.943 -1.760 10.912 1.00 0.00 C ATOM 1302 C ILE A 78 -3.113 -0.942 10.371 1.00 0.00 C ATOM 1303 O ILE A 78 -3.222 0.239 10.626 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.967 -2.054 9.774 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.198 -2.911 10.297 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.437 -0.740 9.193 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.906 -2.223 11.474 1.00 0.00 C ATOM 0 H ILE A 78 -2.892 -3.661 10.768 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.428 -1.205 11.696 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.485 -2.604 8.988 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.176 -3.885 10.613 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.912 -3.089 9.493 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.259 -0.955 8.382 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.269 -0.149 8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.078 -0.179 9.973 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.725 -2.851 11.823 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.300 -1.260 11.149 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.195 -2.068 12.286 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.988 -1.557 9.617 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.143 -0.799 9.059 1.00 0.00 C ATOM 1321 C ALA A 79 -6.280 -1.756 8.695 1.00 0.00 C ATOM 1322 O ALA A 79 -6.071 -2.929 8.455 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.690 -0.046 7.807 1.00 0.00 C ATOM 0 H ALA A 79 -3.952 -2.545 9.366 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.504 -0.094 9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.531 0.511 7.393 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.889 0.646 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.327 -0.758 7.066 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.484 -1.243 8.648 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.672 -2.078 8.293 1.00 0.00 C ATOM 1331 C ILE A 80 -9.431 -1.404 7.154 1.00 0.00 C ATOM 1332 O ILE A 80 -9.647 -0.208 7.169 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.596 -2.193 9.506 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.874 -2.956 10.622 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.869 -2.941 9.106 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.680 -2.867 11.925 1.00 0.00 C ATOM 0 H ILE A 80 -7.697 -0.265 8.844 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.342 -3.071 7.988 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.861 -1.198 9.863 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.745 -4.000 10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.877 -2.541 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.529 -3.024 9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.378 -2.395 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.609 -3.938 8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.160 -3.412 12.713 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.787 -1.822 12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.667 -3.304 11.773 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.843 -2.149 6.165 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.590 -1.517 5.045 1.00 0.00 C ATOM 1350 C GLY A 81 -11.043 -2.583 4.055 1.00 0.00 C ATOM 1351 O GLY A 81 -10.598 -3.712 4.101 1.00 0.00 O ATOM 0 H GLY A 81 -9.697 -3.155 6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.454 -0.977 5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.957 -0.786 4.541 1.00 0.00 H new ATOM 1355 N PHE A 82 -11.937 -2.231 3.164 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.442 -3.223 2.164 1.00 0.00 C ATOM 1357 C PHE A 82 -12.507 -2.582 0.783 1.00 0.00 C ATOM 1358 O PHE A 82 -12.674 -1.385 0.646 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.840 -3.694 2.573 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.802 -2.529 2.565 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.422 -2.136 1.372 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.084 -1.849 3.756 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.321 -1.065 1.371 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -15.982 -0.777 3.755 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.602 -0.384 2.562 1.00 0.00 C ATOM 0 H PHE A 82 -12.340 -1.297 3.086 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.763 -4.075 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.187 -4.467 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.806 -4.141 3.567 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.206 -2.660 0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.608 -2.153 4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.799 -0.763 0.451 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -16.197 -0.252 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.296 0.443 2.561 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.375 -3.376 -0.248 1.00 0.00 N ATOM 1376 CA ILE A 83 -12.427 -2.821 -1.628 1.00 0.00 C ATOM 1377 C ILE A 83 -13.884 -2.751 -2.079 1.00 0.00 C ATOM 1378 O ILE A 83 -14.603 -3.732 -2.048 1.00 0.00 O ATOM 1379 CB ILE A 83 -11.630 -3.727 -2.567 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.161 -3.724 -2.134 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -11.743 -3.208 -4.002 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.392 -4.791 -2.911 1.00 0.00 C ATOM 0 H ILE A 83 -12.234 -4.385 -0.191 1.00 0.00 H new ATOM 0 HA ILE A 83 -11.994 -1.821 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.026 -4.742 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.721 -2.743 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.087 -3.916 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.174 -3.856 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.790 -3.204 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.346 -2.194 -4.055 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.347 -4.786 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.825 -5.771 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.454 -4.579 -3.978 1.00 0.00 H new ATOM 1394 N ASP A 84 -14.323 -1.585 -2.482 1.00 0.00 N ATOM 1395 CA ASP A 84 -15.738 -1.409 -2.922 1.00 0.00 C ATOM 1396 C ASP A 84 -15.843 -1.603 -4.438 1.00 0.00 C ATOM 1397 O ASP A 84 -15.183 -0.937 -5.211 1.00 0.00 O ATOM 1398 CB ASP A 84 -16.198 0.003 -2.555 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.719 0.100 -2.674 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -18.323 -0.868 -3.102 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -18.254 1.141 -2.331 1.00 0.00 O ATOM 0 H ASP A 84 -13.754 -0.740 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.368 -2.148 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.888 0.244 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -15.725 0.732 -3.213 1.00 0.00 H new ATOM 1406 N GLU A 85 -16.674 -2.517 -4.857 1.00 0.00 N ATOM 1407 CA GLU A 85 -16.856 -2.786 -6.312 1.00 0.00 C ATOM 1408 C GLU A 85 -15.508 -3.103 -6.961 1.00 0.00 C ATOM 1409 O GLU A 85 -15.011 -4.208 -6.867 1.00 0.00 O ATOM 1410 CB GLU A 85 -17.477 -1.565 -7.002 1.00 0.00 C ATOM 1411 CG GLU A 85 -18.878 -1.296 -6.439 1.00 0.00 C ATOM 1412 CD GLU A 85 -19.804 -2.474 -6.753 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -19.481 -3.237 -7.649 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -20.822 -2.595 -6.089 1.00 0.00 O ATOM 0 H GLU A 85 -17.244 -3.098 -4.243 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.522 -3.642 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.843 -0.691 -6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.535 -1.736 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.823 -1.144 -5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.282 -0.380 -6.870 1.00 0.00 H new ATOM 1421 N ASN A 86 -14.923 -2.141 -7.632 1.00 0.00 N ATOM 1422 CA ASN A 86 -13.608 -2.361 -8.311 1.00 0.00 C ATOM 1423 C ASN A 86 -12.534 -1.501 -7.640 1.00 0.00 C ATOM 1424 O ASN A 86 -11.361 -1.808 -7.697 1.00 0.00 O ATOM 1425 CB ASN A 86 -13.736 -1.957 -9.785 1.00 0.00 C ATOM 1426 CG ASN A 86 -14.592 -2.985 -10.529 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -14.760 -4.099 -10.073 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -15.146 -2.656 -11.667 1.00 0.00 N ATOM 0 H ASN A 86 -15.306 -1.202 -7.739 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.326 -3.411 -8.237 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.188 -0.968 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.748 -1.893 -10.242 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.718 -3.334 -12.171 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -15.006 -1.721 -12.051 1.00 0.00 H new ATOM 1435 N HIS A 87 -12.927 -0.425 -7.004 1.00 0.00 N ATOM 1436 CA HIS A 87 -11.927 0.459 -6.330 1.00 0.00 C ATOM 1437 C HIS A 87 -12.604 1.263 -5.216 1.00 0.00 C ATOM 1438 O HIS A 87 -13.611 0.860 -4.671 1.00 0.00 O ATOM 1439 CB HIS A 87 -11.323 1.424 -7.350 1.00 0.00 C ATOM 1440 CG HIS A 87 -10.605 0.649 -8.414 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -9.365 0.072 -8.193 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -10.934 0.351 -9.711 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -8.994 -0.537 -9.333 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -9.915 -0.399 -10.292 1.00 0.00 N ATOM 0 H HIS A 87 -13.897 -0.121 -6.923 1.00 0.00 H new ATOM 0 HA HIS A 87 -11.141 -0.162 -5.901 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -12.108 2.034 -7.798 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -10.632 2.107 -6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.845 0.652 -10.207 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.065 -1.073 -9.459 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -9.879 -0.764 -11.244 1.00 0.00 H new ATOM 1452 N ASP A 88 -12.042 2.397 -4.875 1.00 0.00 N ATOM 1453 CA ASP A 88 -12.621 3.248 -3.794 1.00 0.00 C ATOM 1454 C ASP A 88 -12.561 2.480 -2.478 1.00 0.00 C ATOM 1455 O ASP A 88 -13.571 2.152 -1.891 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.070 3.618 -4.128 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.525 4.772 -3.231 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.674 5.500 -2.748 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.723 4.908 -3.040 1.00 0.00 O ATOM 0 H ASP A 88 -11.197 2.772 -5.306 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.047 4.170 -3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.150 3.906 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.719 2.754 -3.984 1.00 0.00 H new ATOM 1464 N MET A 89 -11.374 2.185 -2.022 1.00 0.00 N ATOM 1465 CA MET A 89 -11.227 1.427 -0.752 1.00 0.00 C ATOM 1466 C MET A 89 -11.652 2.299 0.424 1.00 0.00 C ATOM 1467 O MET A 89 -11.205 3.418 0.579 1.00 0.00 O ATOM 1468 CB MET A 89 -9.761 1.015 -0.590 1.00 0.00 C ATOM 1469 CG MET A 89 -9.335 0.172 -1.796 1.00 0.00 C ATOM 1470 SD MET A 89 -8.903 1.265 -3.173 1.00 0.00 S ATOM 1471 CE MET A 89 -7.942 0.061 -4.121 1.00 0.00 C ATOM 0 H MET A 89 -10.498 2.439 -2.478 1.00 0.00 H new ATOM 0 HA MET A 89 -11.860 0.540 -0.777 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.130 1.900 -0.509 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.631 0.446 0.330 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.482 -0.454 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.143 -0.498 -2.089 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.883 0.313 -4.062 1.00 0.00 H new ATOM 0 HE2 MET A 89 -8.101 -0.936 -3.710 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.262 0.079 -5.163 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.519 1.786 1.254 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.001 2.558 2.437 1.00 0.00 C ATOM 1483 C ASP A 90 -12.268 2.078 3.687 1.00 0.00 C ATOM 1484 O ASP A 90 -12.357 0.925 4.067 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.504 2.336 2.600 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.069 3.370 3.573 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.287 3.958 4.302 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.274 3.560 3.570 1.00 0.00 O ATOM 0 H ASP A 90 -12.920 0.852 1.162 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.805 3.620 2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.002 2.420 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.696 1.329 2.971 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.531 2.952 4.317 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.770 2.562 5.540 1.00 0.00 C ATOM 1495 C PHE A 91 -11.585 2.897 6.787 1.00 0.00 C ATOM 1496 O PHE A 91 -12.009 4.019 6.986 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.451 3.332 5.569 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.691 3.045 4.295 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.153 1.772 4.082 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.531 4.045 3.327 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.454 1.497 2.902 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -7.830 3.769 2.146 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.292 2.496 1.934 1.00 0.00 C ATOM 0 H PHE A 91 -11.422 3.926 4.035 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.574 1.490 5.522 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.640 4.401 5.663 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.860 3.036 6.436 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.277 1.001 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.948 5.028 3.491 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.039 0.514 2.737 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.705 4.539 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.751 2.283 1.024 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.807 1.923 7.630 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.593 2.159 8.874 1.00 0.00 C ATOM 1515 C LEU A 92 -11.629 2.434 10.024 1.00 0.00 C ATOM 1516 O LEU A 92 -11.998 2.989 11.038 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.410 0.903 9.181 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.273 0.545 7.965 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -15.061 -0.733 8.260 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.242 1.696 7.650 1.00 0.00 C ATOM 0 H LEU A 92 -11.474 0.967 7.508 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.260 3.012 8.746 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.745 0.074 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.043 1.072 10.052 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.628 0.382 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.675 -0.989 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.368 -1.548 8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.702 -0.573 9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.851 1.433 6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.889 1.872 8.509 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.674 2.600 7.432 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.390 2.058 9.864 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.390 2.307 10.934 1.00 0.00 C ATOM 1534 C TYR A 93 -7.990 2.235 10.338 1.00 0.00 C ATOM 1535 O TYR A 93 -7.513 1.173 9.991 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.528 1.253 12.033 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.489 1.510 13.101 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.675 2.552 14.019 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.339 0.712 13.173 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.714 2.794 15.007 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.378 0.956 14.163 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.566 1.996 15.080 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.619 2.237 16.055 1.00 0.00 O ATOM 0 H TYR A 93 -10.028 1.588 9.034 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.560 3.295 11.363 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.528 1.290 12.465 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.398 0.255 11.615 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.560 3.168 13.964 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.194 -0.091 12.465 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.858 3.597 15.714 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.492 0.341 14.218 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.886 1.593 15.966 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.325 3.356 10.224 1.00 0.00 N ATOM 1554 CA LEU A 94 -5.942 3.368 9.659 1.00 0.00 C ATOM 1555 C LEU A 94 -4.957 3.717 10.769 1.00 0.00 C ATOM 1556 O LEU A 94 -5.085 4.728 11.431 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.840 4.427 8.553 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.506 4.255 7.792 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.654 3.194 6.682 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.088 5.597 7.176 1.00 0.00 C ATOM 0 H LEU A 94 -7.684 4.270 10.500 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.712 2.387 9.244 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.679 4.329 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.897 5.426 8.986 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.740 3.923 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.706 3.084 6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.935 2.239 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.426 3.508 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.147 5.474 6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.859 5.935 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.961 6.336 7.967 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.973 2.883 10.977 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.959 3.142 12.043 1.00 0.00 C ATOM 1574 C HIS A 95 -1.561 2.957 11.453 1.00 0.00 C ATOM 1575 O HIS A 95 -1.108 1.854 11.228 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.186 2.157 13.190 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.205 2.427 14.294 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -0.986 1.774 14.372 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.252 3.266 15.380 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.354 2.223 15.471 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.081 3.135 16.122 1.00 0.00 N ATOM 0 H HIS A 95 -3.826 2.023 10.448 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.054 4.160 12.422 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.205 2.251 13.566 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.071 1.134 12.831 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.072 3.926 15.622 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.622 1.887 15.788 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.832 3.629 16.979 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.884 4.043 11.190 1.00 0.00 N ATOM 1590 CA ASN A 96 0.482 3.966 10.600 1.00 0.00 C ATOM 1591 C ASN A 96 1.508 3.593 11.675 1.00 0.00 C ATOM 1592 O ASN A 96 1.175 3.359 12.819 1.00 0.00 O ATOM 1593 CB ASN A 96 0.853 5.321 10.002 1.00 0.00 C ATOM 1594 CG ASN A 96 0.064 5.555 8.714 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.495 4.633 8.152 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.000 6.759 8.216 1.00 0.00 N ATOM 0 H ASN A 96 -1.224 4.989 11.361 1.00 0.00 H new ATOM 0 HA ASN A 96 0.487 3.201 9.824 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.641 6.115 10.718 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.923 5.356 9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.519 6.928 7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.469 7.532 8.688 1.00 0.00 H new ATOM 1603 N THR A 97 2.755 3.528 11.293 1.00 0.00 N ATOM 1604 CA THR A 97 3.831 3.162 12.256 1.00 0.00 C ATOM 1605 C THR A 97 3.894 4.184 13.399 1.00 0.00 C ATOM 1606 O THR A 97 4.234 3.849 14.515 1.00 0.00 O ATOM 1607 CB THR A 97 5.168 3.144 11.512 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.390 4.413 10.914 1.00 0.00 O ATOM 1609 CG2 THR A 97 5.134 2.067 10.426 1.00 0.00 C ATOM 0 H THR A 97 3.077 3.715 10.343 1.00 0.00 H new ATOM 0 HA THR A 97 3.621 2.180 12.679 1.00 0.00 H new ATOM 0 HB THR A 97 5.973 2.925 12.214 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.309 4.459 10.576 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.086 2.054 9.896 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.961 1.093 10.884 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.330 2.285 9.723 1.00 0.00 H new ATOM 1617 N VAL A 98 3.573 5.426 13.137 1.00 0.00 N ATOM 1618 CA VAL A 98 3.617 6.451 14.218 1.00 0.00 C ATOM 1619 C VAL A 98 2.974 7.748 13.718 1.00 0.00 C ATOM 1620 O VAL A 98 3.443 8.833 13.987 1.00 0.00 O ATOM 1621 CB VAL A 98 5.077 6.709 14.622 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.854 7.279 13.426 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.131 7.705 15.805 1.00 0.00 C ATOM 0 H VAL A 98 3.283 5.772 12.222 1.00 0.00 H new ATOM 0 HA VAL A 98 3.066 6.091 15.087 1.00 0.00 H new ATOM 0 HB VAL A 98 5.532 5.768 14.930 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.889 7.460 13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.829 6.566 12.602 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.397 8.216 13.108 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.170 7.882 16.085 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.669 8.647 15.509 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.592 7.289 16.656 1.00 0.00 H new ATOM 1633 N MET A 99 1.898 7.643 12.990 1.00 0.00 N ATOM 1634 CA MET A 99 1.225 8.867 12.472 1.00 0.00 C ATOM 1635 C MET A 99 -0.073 8.466 11.754 1.00 0.00 C ATOM 1636 O MET A 99 -0.118 8.421 10.540 1.00 0.00 O ATOM 1637 CB MET A 99 2.154 9.600 11.498 1.00 0.00 C ATOM 1638 CG MET A 99 2.790 8.627 10.495 1.00 0.00 C ATOM 1639 SD MET A 99 4.235 9.416 9.742 1.00 0.00 S ATOM 1640 CE MET A 99 3.407 10.927 9.191 1.00 0.00 C ATOM 0 H MET A 99 1.455 6.762 12.731 1.00 0.00 H new ATOM 0 HA MET A 99 0.990 9.532 13.303 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.592 10.364 10.961 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.937 10.114 12.056 1.00 0.00 H new ATOM 0 HG2 MET A 99 3.084 7.706 10.999 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.067 8.353 9.726 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.006 11.409 8.418 1.00 0.00 H new ATOM 0 HE2 MET A 99 2.426 10.678 8.787 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.290 11.606 10.035 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.121 8.156 12.490 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.420 7.730 11.883 1.00 0.00 C ATOM 1652 C PRO A 100 -3.066 8.832 11.039 1.00 0.00 C ATOM 1653 O PRO A 100 -3.027 9.998 11.381 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.297 7.373 13.096 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.692 8.105 14.249 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.193 8.178 13.967 1.00 0.00 C ATOM 0 HA PRO A 100 -2.287 6.898 11.191 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.332 7.677 12.936 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.304 6.298 13.273 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.119 9.103 14.344 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.887 7.584 15.186 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.751 9.086 14.377 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.660 7.336 14.408 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.665 8.457 9.935 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.328 9.454 9.046 1.00 0.00 C ATOM 1666 C LEU A 101 -5.837 9.321 9.196 1.00 0.00 C ATOM 1667 O LEU A 101 -6.532 10.287 9.438 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.955 9.167 7.589 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.451 8.923 7.482 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.100 8.580 6.036 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.691 10.180 7.912 1.00 0.00 C ATOM 0 H LEU A 101 -3.722 7.492 9.611 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.005 10.459 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.501 8.295 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.243 10.007 6.957 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.169 8.096 8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.027 8.405 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.639 7.682 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.383 9.408 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.619 10.001 7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.968 11.012 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.944 10.423 8.944 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.351 8.121 9.037 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.825 7.905 9.148 1.00 0.00 C ATOM 1685 C LEU A 102 -8.123 7.018 10.354 1.00 0.00 C ATOM 1686 O LEU A 102 -7.763 5.859 10.396 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.325 7.220 7.861 1.00 0.00 C ATOM 1688 CG LEU A 102 -9.811 7.544 7.629 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -10.626 7.152 8.868 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -9.987 9.056 7.334 1.00 0.00 C ATOM 0 H LEU A 102 -5.808 7.282 8.835 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.332 8.861 9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.735 7.556 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.188 6.141 7.938 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.170 6.975 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.678 7.383 8.700 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.514 6.084 9.054 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.266 7.710 9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.042 9.275 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.623 9.637 8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.420 9.321 6.442 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.800 7.560 11.319 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.168 6.782 12.531 1.00 0.00 C ATOM 1704 C ASP A 103 -10.459 7.367 13.093 1.00 0.00 C ATOM 1705 O ASP A 103 -10.484 7.916 14.177 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.049 6.876 13.577 1.00 0.00 C ATOM 1707 CG ASP A 103 -6.921 5.899 13.229 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.176 4.960 12.492 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -5.824 6.094 13.724 1.00 0.00 O ATOM 0 H ASP A 103 -9.121 8.528 11.321 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.309 5.732 12.276 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.661 7.894 13.615 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.445 6.649 14.567 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.536 7.260 12.355 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.838 7.814 12.826 1.00 0.00 C ATOM 1716 C GLN A 104 -13.698 6.693 13.401 1.00 0.00 C ATOM 1717 O GLN A 104 -14.063 5.753 12.720 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.567 8.476 11.656 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.828 9.757 11.266 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.548 10.434 10.099 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.751 10.607 10.129 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -12.857 10.827 9.064 1.00 0.00 N ATOM 0 H GLN A 104 -11.567 6.809 11.441 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.653 8.557 13.602 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.612 7.794 10.807 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.595 8.705 11.935 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.781 10.435 12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.801 9.524 10.986 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.848 10.682 9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.326 11.280 8.280 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.022 6.799 14.656 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.861 5.768 15.317 1.00 0.00 C ATOM 1733 C ARG A 105 -16.265 5.779 14.712 1.00 0.00 C ATOM 1734 O ARG A 105 -16.898 4.753 14.575 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.942 6.078 16.813 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.576 5.835 17.459 1.00 0.00 C ATOM 1737 CD ARG A 105 -13.629 6.242 18.932 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.611 5.380 19.650 1.00 0.00 N ATOM 1739 CZ ARG A 105 -14.245 4.221 20.132 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -13.015 3.805 19.982 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -15.110 3.477 20.765 1.00 0.00 N ATOM 0 H ARG A 105 -13.736 7.569 15.261 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.419 4.783 15.168 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.249 7.113 16.965 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.697 5.449 17.285 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.302 4.784 17.371 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.809 6.409 16.939 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.642 6.142 19.384 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.915 7.290 19.021 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.574 5.696 19.766 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.337 4.385 19.488 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.733 2.900 20.359 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.070 3.800 20.883 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.826 2.573 21.142 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.760 6.939 14.360 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.130 7.024 13.780 1.00 0.00 C ATOM 1757 C TYR A 106 -18.225 6.107 12.562 1.00 0.00 C ATOM 1758 O TYR A 106 -19.152 5.335 12.424 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.404 8.465 13.344 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.285 9.386 14.536 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.353 9.514 15.432 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.107 10.116 14.741 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.242 10.371 16.534 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.997 10.972 15.843 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.065 11.100 16.740 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.958 11.946 17.824 1.00 0.00 O ATOM 0 H TYR A 106 -16.272 7.830 14.450 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.862 6.717 14.528 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.697 8.762 12.570 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.401 8.541 12.911 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.262 8.952 15.274 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.284 10.018 14.049 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.066 10.470 17.226 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -16.088 11.534 16.002 1.00 0.00 H new ATOM 0 HH TYR A 106 -17.076 12.374 17.819 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.264 6.178 11.684 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.282 5.305 10.482 1.00 0.00 C ATOM 1778 C LEU A 107 -17.139 3.853 10.928 1.00 0.00 C ATOM 1779 O LEU A 107 -17.742 2.957 10.376 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.109 5.686 9.566 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.475 6.927 8.735 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.567 6.588 7.698 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -16.972 8.034 9.676 1.00 0.00 C ATOM 0 H LEU A 107 -16.464 6.807 11.749 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.218 5.430 9.938 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.220 5.887 10.164 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.867 4.854 8.905 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.590 7.268 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.811 7.480 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.203 5.810 7.027 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.460 6.234 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.233 8.917 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -17.851 7.684 10.218 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.185 8.288 10.386 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.326 3.620 11.921 1.00 0.00 N ATOM 1796 CA LEU A 108 -16.110 2.236 12.411 1.00 0.00 C ATOM 1797 C LEU A 108 -17.437 1.667 12.925 1.00 0.00 C ATOM 1798 O LEU A 108 -17.788 0.540 12.644 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.084 2.283 13.554 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.381 0.928 13.698 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.280 1.050 14.755 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -15.393 -0.157 14.111 1.00 0.00 C ATOM 0 H LEU A 108 -15.798 4.339 12.417 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.741 1.600 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.348 3.063 13.358 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.582 2.542 14.488 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.943 0.642 12.742 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.774 0.091 14.865 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.560 1.807 14.445 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.722 1.339 15.709 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.881 -1.114 14.210 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.846 0.112 15.065 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -16.170 -0.238 13.351 1.00 0.00 H new