USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 735 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 58 SER OG : rot 170:sc= -0.913 USER MOD Set 1.2: A 120 ASN : amide:sc= -0.927 K(o=-1.5,f=-3.2) USER MOD Set 1.3: A 133 THR OG1 : rot 29:sc= 0.369! USER MOD Single : A 25 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.72) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.409 USER MOD Single : A 35 HIS :FLIP no HE2:sc= -0.203 F(o=-1.6,f=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.00469) USER MOD Single : A 39 ASN : amide:sc= 0.645 K(o=0.65,f=-7.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -49:sc= 0.756 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.9) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.895 K(o=-0.9,f=-3.2) USER MOD Single : A 66 MET CE :methyl -144:sc= -2.7! (180deg=-6.27!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.656 X(o=-0.66,f=-0.66) USER MOD Single : A 92 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.389 X(o=-0.39,f=-0.39) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN :FLIP amide:sc= -2.57 F(o=-3.3,f=-2.6) USER MOD Single : A 101 ASN : amide:sc= -0.0577 K(o=-0.058,f=-1.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.847 K(o=-0.85,f=-1.5) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 43:sc= -1.61! USER MOD Single : A 117 TYR OH : rot 141:sc= 0.641 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.646 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot -0:sc= 0.516 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 16 N ILE A 22 5.525 -9.740 4.123 1.00 0.00 N ATOM 17 CA ILE A 22 4.740 -9.116 3.065 1.00 0.00 C ATOM 18 C ILE A 22 5.480 -7.928 2.462 1.00 0.00 C ATOM 19 O ILE A 22 5.990 -7.069 3.179 1.00 0.00 O ATOM 20 CB ILE A 22 3.370 -8.642 3.587 1.00 0.00 C ATOM 21 CG1 ILE A 22 2.586 -9.821 4.168 1.00 0.00 C ATOM 22 CG2 ILE A 22 2.582 -7.974 2.470 1.00 0.00 C ATOM 23 CD1 ILE A 22 2.249 -10.884 3.148 1.00 0.00 C ATOM 0 HA ILE A 22 4.585 -9.873 2.296 1.00 0.00 H new ATOM 0 HB ILE A 22 3.531 -7.911 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.167 -10.272 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.662 -9.449 4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.616 -7.644 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.138 -7.114 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.427 -8.685 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.694 -11.688 3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.641 -10.448 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.169 -11.284 2.721 1.00 0.00 H new ATOM 34 N ASP A 23 5.531 -7.885 1.134 1.00 0.00 N ATOM 35 CA ASP A 23 6.206 -6.800 0.430 1.00 0.00 C ATOM 36 C ASP A 23 5.196 -5.797 -0.120 1.00 0.00 C ATOM 37 O ASP A 23 4.287 -6.164 -0.867 1.00 0.00 O ATOM 38 CB ASP A 23 7.064 -7.356 -0.707 1.00 0.00 C ATOM 39 CG ASP A 23 8.546 -7.306 -0.392 1.00 0.00 C ATOM 40 OD1 ASP A 23 9.054 -6.205 -0.099 1.00 0.00 O ATOM 41 OD2 ASP A 23 9.197 -8.371 -0.437 1.00 0.00 O ATOM 0 H ASP A 23 5.113 -8.588 0.524 1.00 0.00 H new ATOM 0 HA ASP A 23 6.851 -6.285 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.773 -8.387 -0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.869 -6.788 -1.616 1.00 0.00 H new ATOM 45 N LEU A 24 5.360 -4.534 0.253 1.00 0.00 N ATOM 46 CA LEU A 24 4.462 -3.479 -0.203 1.00 0.00 C ATOM 47 C LEU A 24 5.193 -2.496 -1.111 1.00 0.00 C ATOM 48 O LEU A 24 6.073 -1.761 -0.666 1.00 0.00 O ATOM 49 CB LEU A 24 3.864 -2.738 0.995 1.00 0.00 C ATOM 50 CG LEU A 24 2.806 -3.498 1.795 1.00 0.00 C ATOM 51 CD1 LEU A 24 2.342 -2.672 2.985 1.00 0.00 C ATOM 52 CD2 LEU A 24 1.627 -3.864 0.906 1.00 0.00 C ATOM 0 H LEU A 24 6.107 -4.215 0.870 1.00 0.00 H new ATOM 0 HA LEU A 24 3.657 -3.942 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.675 -2.466 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.422 -1.808 0.638 1.00 0.00 H new ATOM 0 HG LEU A 24 3.253 -4.419 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.589 -3.229 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.192 -2.460 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.912 -1.735 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.884 -4.404 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.180 -2.956 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.971 -4.495 0.086 1.00 0.00 H new ATOM 63 N ASN A 25 4.820 -2.486 -2.387 1.00 0.00 N ATOM 64 CA ASN A 25 5.439 -1.591 -3.358 1.00 0.00 C ATOM 65 C ASN A 25 4.653 -0.288 -3.476 1.00 0.00 C ATOM 66 O ASN A 25 3.422 -0.290 -3.456 1.00 0.00 O ATOM 67 CB ASN A 25 5.530 -2.272 -4.724 1.00 0.00 C ATOM 68 CG ASN A 25 5.924 -1.307 -5.827 1.00 0.00 C ATOM 69 OD1 ASN A 25 7.108 -1.135 -6.121 1.00 0.00 O ATOM 70 ND2 ASN A 25 4.933 -0.673 -6.441 1.00 0.00 N ATOM 0 H ASN A 25 4.092 -3.088 -2.772 1.00 0.00 H new ATOM 0 HA ASN A 25 6.445 -1.356 -3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.259 -3.081 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.568 -2.723 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.137 -0.012 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.967 -0.847 -6.164 1.00 0.00 H new ATOM 76 N ILE A 26 5.373 0.821 -3.600 1.00 0.00 N ATOM 77 CA ILE A 26 4.743 2.130 -3.725 1.00 0.00 C ATOM 78 C ILE A 26 5.127 2.803 -5.038 1.00 0.00 C ATOM 79 O ILE A 26 6.304 3.046 -5.304 1.00 0.00 O ATOM 80 CB ILE A 26 5.131 3.054 -2.556 1.00 0.00 C ATOM 81 CG1 ILE A 26 5.012 2.308 -1.225 1.00 0.00 C ATOM 82 CG2 ILE A 26 4.255 4.297 -2.551 1.00 0.00 C ATOM 83 CD1 ILE A 26 3.630 1.754 -0.964 1.00 0.00 C ATOM 0 H ILE A 26 6.393 0.840 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 26 3.666 1.965 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 26 6.168 3.363 -2.686 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.731 1.489 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.283 2.984 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.541 4.940 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.385 4.837 -3.489 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.210 4.006 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.620 1.238 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.908 2.571 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.364 1.053 -1.755 1.00 0.00 H new ATOM 94 N THR A 27 4.125 3.102 -5.858 1.00 0.00 N ATOM 95 CA THR A 27 4.355 3.746 -7.144 1.00 0.00 C ATOM 96 C THR A 27 4.106 5.248 -7.060 1.00 0.00 C ATOM 97 O THR A 27 3.941 5.800 -5.971 1.00 0.00 O ATOM 98 CB THR A 27 3.455 3.150 -8.242 1.00 0.00 C ATOM 99 OG1 THR A 27 3.933 3.540 -9.535 1.00 0.00 O ATOM 100 CG2 THR A 27 2.014 3.610 -8.069 1.00 0.00 C ATOM 0 H THR A 27 3.145 2.908 -5.653 1.00 0.00 H new ATOM 0 HA THR A 27 5.398 3.567 -7.403 1.00 0.00 H new ATOM 0 HB THR A 27 3.487 2.064 -8.156 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.356 3.155 -10.227 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.397 3.177 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.643 3.286 -7.097 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.969 4.697 -8.130 1.00 0.00 H new ATOM 108 N CYS A 28 4.079 5.906 -8.214 1.00 0.00 N ATOM 109 CA CYS A 28 3.850 7.344 -8.270 1.00 0.00 C ATOM 110 C CYS A 28 2.603 7.728 -7.479 1.00 0.00 C ATOM 111 O CYS A 28 1.831 6.864 -7.059 1.00 0.00 O ATOM 112 CB CYS A 28 3.707 7.803 -9.723 1.00 0.00 C ATOM 113 SG CYS A 28 5.081 7.292 -10.804 1.00 0.00 S ATOM 0 H CYS A 28 4.213 5.465 -9.124 1.00 0.00 H new ATOM 0 HA CYS A 28 4.710 7.841 -7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.775 7.408 -10.127 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.628 8.890 -9.743 1.00 0.00 H new ATOM 117 N ARG A 29 2.411 9.027 -7.282 1.00 0.00 N ATOM 118 CA ARG A 29 1.259 9.526 -6.540 1.00 0.00 C ATOM 119 C ARG A 29 0.536 10.615 -7.328 1.00 0.00 C ATOM 120 O ARG A 29 1.168 11.469 -7.951 1.00 0.00 O ATOM 121 CB ARG A 29 1.697 10.071 -5.179 1.00 0.00 C ATOM 122 CG ARG A 29 2.219 11.497 -5.234 1.00 0.00 C ATOM 123 CD ARG A 29 3.490 11.593 -6.062 1.00 0.00 C ATOM 124 NE ARG A 29 4.440 12.548 -5.496 1.00 0.00 N ATOM 125 CZ ARG A 29 5.742 12.533 -5.759 1.00 0.00 C ATOM 126 NH1 ARG A 29 6.246 11.618 -6.577 1.00 0.00 N ATOM 127 NH2 ARG A 29 6.543 13.435 -5.205 1.00 0.00 N ATOM 0 H ARG A 29 3.038 9.754 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 29 0.571 8.695 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.853 10.028 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.474 9.424 -4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.456 12.149 -5.660 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.415 11.853 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.957 10.610 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.238 11.892 -7.080 1.00 0.00 H new ATOM 0 HE ARG A 29 4.084 13.265 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.633 10.924 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.246 11.609 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.159 14.141 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.543 13.422 -5.408 1.00 0.00 H new ATOM 138 N PHE A 30 -0.792 10.581 -7.293 1.00 0.00 N ATOM 139 CA PHE A 30 -1.602 11.563 -8.004 1.00 0.00 C ATOM 140 C PHE A 30 -2.287 12.513 -7.026 1.00 0.00 C ATOM 141 O PHE A 30 -3.210 12.123 -6.311 1.00 0.00 O ATOM 142 CB PHE A 30 -2.648 10.862 -8.871 1.00 0.00 C ATOM 143 CG PHE A 30 -2.058 10.062 -9.997 1.00 0.00 C ATOM 144 CD1 PHE A 30 -1.344 8.902 -9.741 1.00 0.00 C ATOM 145 CD2 PHE A 30 -2.215 10.470 -11.311 1.00 0.00 C ATOM 146 CE1 PHE A 30 -0.799 8.164 -10.773 1.00 0.00 C ATOM 147 CE2 PHE A 30 -1.673 9.735 -12.348 1.00 0.00 C ATOM 148 CZ PHE A 30 -0.962 8.582 -12.079 1.00 0.00 C ATOM 0 H PHE A 30 -1.330 9.883 -6.779 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.941 12.146 -8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.246 10.202 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.326 11.609 -9.284 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.212 8.571 -8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.767 11.373 -11.528 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.246 7.261 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.805 10.062 -13.369 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.534 8.009 -12.888 1.00 0.00 H new ATOM 157 N ALA A 31 -1.828 13.759 -7.001 1.00 0.00 N ATOM 158 CA ALA A 31 -2.398 14.766 -6.114 1.00 0.00 C ATOM 159 C ALA A 31 -2.190 14.388 -4.652 1.00 0.00 C ATOM 160 O ALA A 31 -2.901 14.866 -3.768 1.00 0.00 O ATOM 161 CB ALA A 31 -3.879 14.951 -6.406 1.00 0.00 C ATOM 0 H ALA A 31 -1.063 14.096 -7.585 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.883 15.709 -6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.290 15.706 -5.736 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.009 15.273 -7.439 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.401 14.006 -6.253 1.00 0.00 H new ATOM 167 N GLY A 32 -1.211 13.524 -4.401 1.00 0.00 N ATOM 168 CA GLY A 32 -0.928 13.094 -3.043 1.00 0.00 C ATOM 169 C GLY A 32 -1.577 11.768 -2.707 1.00 0.00 C ATOM 170 O GLY A 32 -1.425 11.256 -1.598 1.00 0.00 O ATOM 0 H GLY A 32 -0.608 13.114 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.151 13.011 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.279 13.854 -2.344 1.00 0.00 H new ATOM 174 N VAL A 33 -2.310 11.209 -3.666 1.00 0.00 N ATOM 175 CA VAL A 33 -2.987 9.934 -3.466 1.00 0.00 C ATOM 176 C VAL A 33 -2.309 8.820 -4.258 1.00 0.00 C ATOM 177 O VAL A 33 -2.315 8.828 -5.488 1.00 0.00 O ATOM 178 CB VAL A 33 -4.468 10.014 -3.880 1.00 0.00 C ATOM 179 CG1 VAL A 33 -5.184 8.709 -3.560 1.00 0.00 C ATOM 180 CG2 VAL A 33 -5.150 11.188 -3.194 1.00 0.00 C ATOM 0 H VAL A 33 -2.450 11.620 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.926 9.708 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.518 10.173 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.229 8.785 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.709 7.891 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.127 8.516 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.196 11.229 -3.498 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.091 11.062 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.652 12.115 -3.479 1.00 0.00 H new ATOM 190 N PHE A 34 -1.726 7.865 -3.543 1.00 0.00 N ATOM 191 CA PHE A 34 -1.042 6.744 -4.179 1.00 0.00 C ATOM 192 C PHE A 34 -1.596 5.413 -3.677 1.00 0.00 C ATOM 193 O PHE A 34 -2.259 5.355 -2.640 1.00 0.00 O ATOM 194 CB PHE A 34 0.462 6.817 -3.908 1.00 0.00 C ATOM 195 CG PHE A 34 0.809 6.834 -2.447 1.00 0.00 C ATOM 196 CD1 PHE A 34 0.679 7.997 -1.704 1.00 0.00 C ATOM 197 CD2 PHE A 34 1.266 5.688 -1.816 1.00 0.00 C ATOM 198 CE1 PHE A 34 0.998 8.016 -0.359 1.00 0.00 C ATOM 199 CE2 PHE A 34 1.584 5.702 -0.471 1.00 0.00 C ATOM 200 CZ PHE A 34 1.451 6.867 0.259 1.00 0.00 C ATOM 0 H PHE A 34 -1.713 7.844 -2.523 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.215 6.808 -5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.949 5.963 -4.379 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.865 7.714 -4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.324 8.899 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.375 4.774 -2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.893 8.929 0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.937 4.801 0.010 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.700 6.879 1.310 1.00 0.00 H new ATOM 209 N HIS A 35 -1.319 4.346 -4.419 1.00 0.00 N ATOM 210 CA HIS A 35 -1.789 3.015 -4.049 1.00 0.00 C ATOM 211 C HIS A 35 -0.625 2.126 -3.627 1.00 0.00 C ATOM 212 O HIS A 35 0.464 2.198 -4.197 1.00 0.00 O ATOM 213 CB HIS A 35 -2.538 2.375 -5.218 1.00 0.00 C ATOM 214 CG HIS A 35 -1.636 1.721 -6.222 1.00 0.00 C ATOM 215 ND1 HIS A 35 -1.040 0.507 -6.217 1.00 0.00 N flip ATOM 216 CD2 HIS A 35 -1.256 2.330 -7.398 1.00 0.00 C flip ATOM 217 CE1 HIS A 35 -0.317 0.404 -7.380 1.00 0.00 C flip ATOM 218 NE2 HIS A 35 -0.464 1.517 -8.075 1.00 0.00 N flip ATOM 0 H HIS A 35 -0.772 4.376 -5.279 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.469 3.117 -3.203 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.235 1.632 -4.829 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.133 3.138 -5.719 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -1.114 -0.200 -5.486 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.558 3.317 -7.717 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.275 -0.449 -7.678 1.00 0.00 H new ATOM 225 N VAL A 36 -0.861 1.286 -2.623 1.00 0.00 N ATOM 226 CA VAL A 36 0.169 0.382 -2.124 1.00 0.00 C ATOM 227 C VAL A 36 -0.016 -1.023 -2.684 1.00 0.00 C ATOM 228 O VAL A 36 -0.913 -1.755 -2.266 1.00 0.00 O ATOM 229 CB VAL A 36 0.158 0.315 -0.586 1.00 0.00 C ATOM 230 CG1 VAL A 36 1.208 -0.666 -0.087 1.00 0.00 C ATOM 231 CG2 VAL A 36 0.385 1.698 0.009 1.00 0.00 C ATOM 0 H VAL A 36 -1.756 1.213 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 36 1.128 0.779 -2.456 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.820 -0.040 -0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.186 -0.700 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.997 -1.658 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.195 -0.343 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.374 1.632 1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.350 2.082 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.406 2.371 -0.322 1.00 0.00 H new ATOM 241 N GLU A 37 0.839 -1.394 -3.632 1.00 0.00 N ATOM 242 CA GLU A 37 0.768 -2.713 -4.250 1.00 0.00 C ATOM 243 C GLU A 37 1.418 -3.768 -3.357 1.00 0.00 C ATOM 244 O GLU A 37 2.255 -3.450 -2.512 1.00 0.00 O ATOM 245 CB GLU A 37 1.452 -2.697 -5.619 1.00 0.00 C ATOM 246 CG GLU A 37 1.181 -3.940 -6.450 1.00 0.00 C ATOM 247 CD GLU A 37 1.731 -3.831 -7.858 1.00 0.00 C ATOM 248 OE1 GLU A 37 1.022 -3.286 -8.731 1.00 0.00 O ATOM 249 OE2 GLU A 37 2.868 -4.292 -8.089 1.00 0.00 O ATOM 0 H GLU A 37 1.588 -0.800 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.284 -2.969 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.117 -1.820 -6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.528 -2.593 -5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.623 -4.806 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.106 -4.114 -6.496 1.00 0.00 H new ATOM 254 N LYS A 38 1.027 -5.021 -3.552 1.00 0.00 N ATOM 255 CA LYS A 38 1.569 -6.124 -2.767 1.00 0.00 C ATOM 256 C LYS A 38 2.313 -7.113 -3.660 1.00 0.00 C ATOM 257 O LYS A 38 1.941 -7.322 -4.814 1.00 0.00 O ATOM 258 CB LYS A 38 0.447 -6.843 -2.015 1.00 0.00 C ATOM 259 CG LYS A 38 0.931 -7.634 -0.813 1.00 0.00 C ATOM 260 CD LYS A 38 -0.190 -8.454 -0.196 1.00 0.00 C ATOM 261 CE LYS A 38 0.341 -9.721 0.458 1.00 0.00 C ATOM 262 NZ LYS A 38 0.355 -10.870 -0.489 1.00 0.00 N ATOM 0 H LYS A 38 0.335 -5.300 -4.248 1.00 0.00 H new ATOM 0 HA LYS A 38 2.274 -5.711 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.287 -6.108 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.065 -7.518 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.743 -8.295 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.337 -6.951 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.716 -7.853 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.916 -8.717 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.351 -9.543 0.828 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.276 -9.970 1.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.876 -11.664 -0.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.622 -11.165 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.821 -10.585 -1.374 1.00 0.00 H new ATOM 272 N ASN A 39 3.362 -7.721 -3.116 1.00 0.00 N ATOM 273 CA ASN A 39 4.155 -8.689 -3.863 1.00 0.00 C ATOM 274 C ASN A 39 3.264 -9.760 -4.484 1.00 0.00 C ATOM 275 O ASN A 39 3.429 -10.123 -5.648 1.00 0.00 O ATOM 276 CB ASN A 39 5.195 -9.342 -2.950 1.00 0.00 C ATOM 277 CG ASN A 39 4.586 -9.873 -1.667 1.00 0.00 C ATOM 278 OD1 ASN A 39 4.063 -9.112 -0.852 1.00 0.00 O ATOM 279 ND2 ASN A 39 4.647 -11.187 -1.483 1.00 0.00 N ATOM 0 H ASN A 39 3.682 -7.560 -2.161 1.00 0.00 H new ATOM 0 HA ASN A 39 4.668 -8.158 -4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.681 -10.159 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.969 -8.614 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 39 4.251 -11.603 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.090 -11.780 -2.185 1.00 0.00 H new ATOM 285 N GLY A 40 2.318 -10.264 -3.698 1.00 0.00 N ATOM 286 CA GLY A 40 1.414 -11.288 -4.187 1.00 0.00 C ATOM 287 C GLY A 40 0.269 -10.712 -4.995 1.00 0.00 C ATOM 288 O GLY A 40 0.190 -10.919 -6.207 1.00 0.00 O ATOM 0 H GLY A 40 2.162 -9.981 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.970 -11.995 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.013 -11.848 -3.342 1.00 0.00 H new ATOM 292 N ARG A 41 -0.622 -9.990 -4.325 1.00 0.00 N ATOM 293 CA ARG A 41 -1.770 -9.385 -4.989 1.00 0.00 C ATOM 294 C ARG A 41 -2.581 -8.538 -4.011 1.00 0.00 C ATOM 295 O ARG A 41 -2.201 -8.378 -2.851 1.00 0.00 O ATOM 296 CB ARG A 41 -2.661 -10.468 -5.603 1.00 0.00 C ATOM 297 CG ARG A 41 -3.238 -10.088 -6.957 1.00 0.00 C ATOM 298 CD ARG A 41 -3.565 -11.320 -7.787 1.00 0.00 C ATOM 299 NE ARG A 41 -4.289 -10.977 -9.010 1.00 0.00 N ATOM 300 CZ ARG A 41 -3.698 -10.527 -10.111 1.00 0.00 C ATOM 301 NH1 ARG A 41 -2.383 -10.363 -10.143 1.00 0.00 N ATOM 302 NH2 ARG A 41 -4.425 -10.238 -11.183 1.00 0.00 N ATOM 0 H ARG A 41 -0.571 -9.809 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.398 -8.737 -5.783 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.082 -11.386 -5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.480 -10.685 -4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.140 -9.493 -6.816 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.525 -9.463 -7.496 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.642 -11.839 -8.045 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.163 -12.010 -7.192 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.303 -11.089 -9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.821 -10.583 -9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.933 -10.017 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.437 -10.361 -11.161 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.971 -9.892 -12.029 1.00 0.00 H new ATOM 313 N TYR A 42 -3.696 -7.999 -4.488 1.00 0.00 N ATOM 314 CA TYR A 42 -4.558 -7.167 -3.658 1.00 0.00 C ATOM 315 C TYR A 42 -5.194 -7.987 -2.539 1.00 0.00 C ATOM 316 O TYR A 42 -6.277 -8.548 -2.704 1.00 0.00 O ATOM 317 CB TYR A 42 -5.649 -6.515 -4.509 1.00 0.00 C ATOM 318 CG TYR A 42 -5.132 -5.918 -5.799 1.00 0.00 C ATOM 319 CD1 TYR A 42 -3.944 -5.198 -5.828 1.00 0.00 C ATOM 320 CD2 TYR A 42 -5.834 -6.073 -6.989 1.00 0.00 C ATOM 321 CE1 TYR A 42 -3.470 -4.651 -7.004 1.00 0.00 C ATOM 322 CE2 TYR A 42 -5.366 -5.530 -8.169 1.00 0.00 C ATOM 323 CZ TYR A 42 -4.184 -4.819 -8.173 1.00 0.00 C ATOM 324 OH TYR A 42 -3.715 -4.276 -9.346 1.00 0.00 O ATOM 0 H TYR A 42 -4.025 -8.123 -5.446 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.942 -6.387 -3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.410 -7.259 -4.742 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.135 -5.733 -3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.382 -5.064 -4.916 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -6.761 -6.627 -6.990 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.545 -4.094 -7.009 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.923 -5.661 -9.085 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.335 -4.487 -10.075 1.00 0.00 H new ATOM 333 N SER A 43 -4.513 -8.051 -1.400 1.00 0.00 N ATOM 334 CA SER A 43 -5.008 -8.803 -0.253 1.00 0.00 C ATOM 335 C SER A 43 -4.932 -7.967 1.021 1.00 0.00 C ATOM 336 O SER A 43 -4.660 -8.489 2.102 1.00 0.00 O ATOM 337 CB SER A 43 -4.203 -10.094 -0.079 1.00 0.00 C ATOM 338 OG SER A 43 -4.753 -10.901 0.947 1.00 0.00 O ATOM 0 H SER A 43 -3.616 -7.591 -1.246 1.00 0.00 H new ATOM 0 HA SER A 43 -6.052 -9.055 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.192 -10.649 -1.017 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.167 -9.852 0.160 1.00 0.00 H new ATOM 0 HG SER A 43 -4.910 -10.354 1.745 1.00 0.00 H new ATOM 343 N ILE A 44 -5.174 -6.668 0.883 1.00 0.00 N ATOM 344 CA ILE A 44 -5.135 -5.760 2.022 1.00 0.00 C ATOM 345 C ILE A 44 -6.534 -5.510 2.574 1.00 0.00 C ATOM 346 O ILE A 44 -7.492 -5.344 1.818 1.00 0.00 O ATOM 347 CB ILE A 44 -4.495 -4.410 1.643 1.00 0.00 C ATOM 348 CG1 ILE A 44 -3.072 -4.624 1.125 1.00 0.00 C ATOM 349 CG2 ILE A 44 -4.494 -3.471 2.840 1.00 0.00 C ATOM 350 CD1 ILE A 44 -2.869 -4.145 -0.295 1.00 0.00 C ATOM 0 H ILE A 44 -5.399 -6.221 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.526 -6.240 2.788 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.086 -3.954 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.373 -4.103 1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.829 -5.685 1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.039 -2.522 2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.519 -3.299 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.923 -3.919 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.838 -4.328 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.543 -4.684 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.080 -3.077 -0.352 1.00 0.00 H new ATOM 361 N SER A 45 -6.645 -5.480 3.898 1.00 0.00 N ATOM 362 CA SER A 45 -7.929 -5.253 4.553 1.00 0.00 C ATOM 363 C SER A 45 -8.041 -3.809 5.037 1.00 0.00 C ATOM 364 O SER A 45 -7.117 -3.015 4.874 1.00 0.00 O ATOM 365 CB SER A 45 -8.101 -6.212 5.731 1.00 0.00 C ATOM 366 OG SER A 45 -6.908 -6.309 6.491 1.00 0.00 O ATOM 0 H SER A 45 -5.862 -5.610 4.539 1.00 0.00 H new ATOM 0 HA SER A 45 -8.719 -5.438 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.915 -5.867 6.369 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.382 -7.199 5.362 1.00 0.00 H new ATOM 0 HG SER A 45 -7.046 -6.927 7.239 1.00 0.00 H new ATOM 371 N ARG A 46 -9.184 -3.481 5.632 1.00 0.00 N ATOM 372 CA ARG A 46 -9.420 -2.134 6.138 1.00 0.00 C ATOM 373 C ARG A 46 -8.549 -1.851 7.358 1.00 0.00 C ATOM 374 O ARG A 46 -7.741 -0.921 7.357 1.00 0.00 O ATOM 375 CB ARG A 46 -10.896 -1.954 6.499 1.00 0.00 C ATOM 376 CG ARG A 46 -11.805 -1.803 5.291 1.00 0.00 C ATOM 377 CD ARG A 46 -13.227 -2.241 5.605 1.00 0.00 C ATOM 378 NE ARG A 46 -14.198 -1.186 5.331 1.00 0.00 N ATOM 379 CZ ARG A 46 -14.337 -0.102 6.087 1.00 0.00 C ATOM 380 NH1 ARG A 46 -13.569 0.069 7.154 1.00 0.00 N ATOM 381 NH2 ARG A 46 -15.243 0.815 5.772 1.00 0.00 N ATOM 0 H ARG A 46 -9.959 -4.128 5.775 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.156 -1.426 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.225 -2.812 7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.001 -1.074 7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.807 -0.763 4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.415 -2.396 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.473 -3.123 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.294 -2.531 6.653 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.802 -1.286 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.869 -0.632 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -13.678 0.902 7.732 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.833 0.688 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.350 1.647 6.352 1.00 0.00 H new ATOM 392 N THR A 47 -8.718 -2.659 8.400 1.00 0.00 N ATOM 393 CA THR A 47 -7.949 -2.495 9.628 1.00 0.00 C ATOM 394 C THR A 47 -6.454 -2.429 9.335 1.00 0.00 C ATOM 395 O THR A 47 -5.697 -1.787 10.063 1.00 0.00 O ATOM 396 CB THR A 47 -8.216 -3.646 10.616 1.00 0.00 C ATOM 397 OG1 THR A 47 -7.516 -3.410 11.842 1.00 0.00 O ATOM 398 CG2 THR A 47 -7.781 -4.979 10.026 1.00 0.00 C ATOM 0 H THR A 47 -9.381 -3.434 8.418 1.00 0.00 H new ATOM 0 HA THR A 47 -8.270 -1.556 10.080 1.00 0.00 H new ATOM 0 HB THR A 47 -9.288 -3.687 10.811 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.692 -4.145 12.466 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.980 -5.776 10.742 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.337 -5.169 9.108 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.714 -4.948 9.804 1.00 0.00 H new ATOM 406 N GLU A 48 -6.034 -3.095 8.262 1.00 0.00 N ATOM 407 CA GLU A 48 -4.630 -3.110 7.875 1.00 0.00 C ATOM 408 C GLU A 48 -4.273 -1.864 7.070 1.00 0.00 C ATOM 409 O GLU A 48 -3.232 -1.247 7.290 1.00 0.00 O ATOM 410 CB GLU A 48 -4.317 -4.367 7.058 1.00 0.00 C ATOM 411 CG GLU A 48 -4.072 -5.601 7.909 1.00 0.00 C ATOM 412 CD GLU A 48 -3.520 -6.762 7.105 1.00 0.00 C ATOM 413 OE1 GLU A 48 -3.650 -6.740 5.865 1.00 0.00 O ATOM 414 OE2 GLU A 48 -2.958 -7.693 7.719 1.00 0.00 O ATOM 0 H GLU A 48 -6.647 -3.630 7.647 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.029 -3.117 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.146 -4.564 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.437 -4.180 6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.375 -5.354 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.006 -5.903 8.382 1.00 0.00 H new ATOM 419 N ALA A 49 -5.146 -1.502 6.135 1.00 0.00 N ATOM 420 CA ALA A 49 -4.925 -0.330 5.297 1.00 0.00 C ATOM 421 C ALA A 49 -4.615 0.899 6.144 1.00 0.00 C ATOM 422 O ALA A 49 -3.599 1.564 5.943 1.00 0.00 O ATOM 423 CB ALA A 49 -6.140 -0.073 4.417 1.00 0.00 C ATOM 0 H ALA A 49 -6.012 -2.003 5.939 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.063 -0.527 4.659 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.961 0.805 3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.316 -0.939 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.014 0.099 5.045 1.00 0.00 H new ATOM 429 N ALA A 50 -5.498 1.197 7.092 1.00 0.00 N ATOM 430 CA ALA A 50 -5.317 2.347 7.972 1.00 0.00 C ATOM 431 C ALA A 50 -3.932 2.335 8.610 1.00 0.00 C ATOM 432 O ALA A 50 -3.159 3.281 8.455 1.00 0.00 O ATOM 433 CB ALA A 50 -6.396 2.367 9.044 1.00 0.00 C ATOM 0 H ALA A 50 -6.346 0.659 7.271 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.404 3.252 7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.248 3.230 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.376 2.431 8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.338 1.454 9.636 1.00 0.00 H new ATOM 439 N ASP A 51 -3.627 1.263 9.330 1.00 0.00 N ATOM 440 CA ASP A 51 -2.335 1.128 9.995 1.00 0.00 C ATOM 441 C ASP A 51 -1.192 1.272 8.995 1.00 0.00 C ATOM 442 O ASP A 51 -0.132 1.806 9.319 1.00 0.00 O ATOM 443 CB ASP A 51 -2.239 -0.224 10.704 1.00 0.00 C ATOM 444 CG ASP A 51 -0.812 -0.596 11.051 1.00 0.00 C ATOM 445 OD1 ASP A 51 -0.129 -1.188 10.190 1.00 0.00 O ATOM 446 OD2 ASP A 51 -0.378 -0.296 12.184 1.00 0.00 O ATOM 0 H ASP A 51 -4.257 0.473 9.469 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.251 1.924 10.735 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.836 -0.196 11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.668 -0.997 10.066 1.00 0.00 H new ATOM 450 N LEU A 52 -1.416 0.792 7.776 1.00 0.00 N ATOM 451 CA LEU A 52 -0.405 0.866 6.727 1.00 0.00 C ATOM 452 C LEU A 52 -0.049 2.317 6.415 1.00 0.00 C ATOM 453 O LEU A 52 1.106 2.724 6.543 1.00 0.00 O ATOM 454 CB LEU A 52 -0.904 0.169 5.460 1.00 0.00 C ATOM 455 CG LEU A 52 0.131 -0.659 4.698 1.00 0.00 C ATOM 456 CD1 LEU A 52 0.649 -1.797 5.563 1.00 0.00 C ATOM 457 CD2 LEU A 52 -0.463 -1.198 3.405 1.00 0.00 C ATOM 0 H LEU A 52 -2.288 0.348 7.490 1.00 0.00 H new ATOM 0 HA LEU A 52 0.491 0.359 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.734 -0.484 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.302 0.927 4.785 1.00 0.00 H new ATOM 0 HG LEU A 52 0.970 -0.011 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.384 -2.374 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.115 -1.389 6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.180 -2.445 5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.288 -1.785 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.321 -1.830 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.782 -0.366 2.777 1.00 0.00 H new ATOM 468 N CYS A 53 -1.048 3.092 6.009 1.00 0.00 N ATOM 469 CA CYS A 53 -0.842 4.497 5.680 1.00 0.00 C ATOM 470 C CYS A 53 -0.229 5.246 6.860 1.00 0.00 C ATOM 471 O CYS A 53 0.767 5.955 6.709 1.00 0.00 O ATOM 472 CB CYS A 53 -2.167 5.149 5.282 1.00 0.00 C ATOM 473 SG CYS A 53 -3.018 4.321 3.901 1.00 0.00 S ATOM 0 H CYS A 53 -2.010 2.770 5.900 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.151 4.550 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -2.829 5.160 6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -1.981 6.188 5.010 1.00 0.00 H new ATOM 477 N LYS A 54 -0.829 5.084 8.034 1.00 0.00 N ATOM 478 CA LYS A 54 -0.343 5.743 9.241 1.00 0.00 C ATOM 479 C LYS A 54 1.140 5.459 9.456 1.00 0.00 C ATOM 480 O LYS A 54 1.917 6.360 9.766 1.00 0.00 O ATOM 481 CB LYS A 54 -1.145 5.278 10.459 1.00 0.00 C ATOM 482 CG LYS A 54 -0.969 6.167 11.677 1.00 0.00 C ATOM 483 CD LYS A 54 -1.784 5.664 12.857 1.00 0.00 C ATOM 484 CE LYS A 54 -1.159 6.074 14.182 1.00 0.00 C ATOM 485 NZ LYS A 54 -1.342 7.528 14.453 1.00 0.00 N ATOM 0 H LYS A 54 -1.654 4.501 8.176 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.474 6.818 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.202 5.242 10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.845 4.262 10.715 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.085 6.205 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.272 7.185 11.432 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.798 6.058 12.794 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.861 4.578 12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.606 5.494 14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.095 5.837 14.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.903 7.769 15.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.894 8.081 13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.358 7.749 14.489 1.00 0.00 H new ATOM 495 N ALA A 55 1.527 4.198 9.285 1.00 0.00 N ATOM 496 CA ALA A 55 2.918 3.795 9.457 1.00 0.00 C ATOM 497 C ALA A 55 3.790 4.345 8.336 1.00 0.00 C ATOM 498 O ALA A 55 5.010 4.444 8.475 1.00 0.00 O ATOM 499 CB ALA A 55 3.024 2.279 9.518 1.00 0.00 C ATOM 0 H ALA A 55 0.897 3.438 9.028 1.00 0.00 H new ATOM 0 HA ALA A 55 3.278 4.210 10.398 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.068 1.992 9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.439 1.907 10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.641 1.850 8.592 1.00 0.00 H new ATOM 505 N PHE A 56 3.159 4.702 7.221 1.00 0.00 N ATOM 506 CA PHE A 56 3.880 5.240 6.073 1.00 0.00 C ATOM 507 C PHE A 56 3.906 6.766 6.114 1.00 0.00 C ATOM 508 O PHE A 56 4.076 7.422 5.087 1.00 0.00 O ATOM 509 CB PHE A 56 3.235 4.764 4.770 1.00 0.00 C ATOM 510 CG PHE A 56 4.186 4.731 3.607 1.00 0.00 C ATOM 511 CD1 PHE A 56 5.261 3.859 3.599 1.00 0.00 C ATOM 512 CD2 PHE A 56 4.003 5.574 2.522 1.00 0.00 C ATOM 513 CE1 PHE A 56 6.138 3.829 2.531 1.00 0.00 C ATOM 514 CE2 PHE A 56 4.876 5.548 1.452 1.00 0.00 C ATOM 515 CZ PHE A 56 5.944 4.673 1.455 1.00 0.00 C ATOM 0 H PHE A 56 2.150 4.628 7.089 1.00 0.00 H new ATOM 0 HA PHE A 56 4.906 4.875 6.116 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.824 3.766 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.399 5.420 4.527 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.416 3.195 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.168 6.259 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.975 3.146 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.723 6.212 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.626 4.649 0.618 1.00 0.00 H new ATOM 524 N ASN A 57 3.734 7.323 7.308 1.00 0.00 N ATOM 525 CA ASN A 57 3.735 8.771 7.484 1.00 0.00 C ATOM 526 C ASN A 57 2.646 9.422 6.635 1.00 0.00 C ATOM 527 O ASN A 57 2.818 10.534 6.135 1.00 0.00 O ATOM 528 CB ASN A 57 5.102 9.349 7.111 1.00 0.00 C ATOM 529 CG ASN A 57 5.260 10.790 7.556 1.00 0.00 C ATOM 530 OD1 ASN A 57 4.456 11.302 8.335 1.00 0.00 O ATOM 531 ND2 ASN A 57 6.302 11.449 7.062 1.00 0.00 N ATOM 0 H ASN A 57 3.592 6.794 8.168 1.00 0.00 H new ATOM 0 HA ASN A 57 3.531 8.986 8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.886 8.743 7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.237 9.288 6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.462 12.421 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.942 10.983 6.419 1.00 0.00 H new ATOM 537 N SER A 58 1.528 8.722 6.479 1.00 0.00 N ATOM 538 CA SER A 58 0.412 9.231 5.689 1.00 0.00 C ATOM 539 C SER A 58 -0.915 8.692 6.214 1.00 0.00 C ATOM 540 O SER A 58 -0.951 7.920 7.173 1.00 0.00 O ATOM 541 CB SER A 58 0.585 8.849 4.217 1.00 0.00 C ATOM 542 OG SER A 58 1.678 9.540 3.636 1.00 0.00 O ATOM 0 H SER A 58 1.370 7.801 6.889 1.00 0.00 H new ATOM 0 HA SER A 58 0.403 10.317 5.776 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.744 7.774 4.133 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.328 9.080 3.668 1.00 0.00 H new ATOM 0 HG SER A 58 1.869 9.165 2.751 1.00 0.00 H new ATOM 547 N THR A 59 -2.007 9.106 5.578 1.00 0.00 N ATOM 548 CA THR A 59 -3.337 8.668 5.979 1.00 0.00 C ATOM 549 C THR A 59 -4.243 8.478 4.768 1.00 0.00 C ATOM 550 O THR A 59 -4.130 9.201 3.778 1.00 0.00 O ATOM 551 CB THR A 59 -3.994 9.673 6.945 1.00 0.00 C ATOM 552 OG1 THR A 59 -4.033 10.973 6.345 1.00 0.00 O ATOM 553 CG2 THR A 59 -3.231 9.738 8.259 1.00 0.00 C ATOM 0 H THR A 59 -1.995 9.744 4.783 1.00 0.00 H new ATOM 0 HA THR A 59 -3.213 7.713 6.490 1.00 0.00 H new ATOM 0 HB THR A 59 -5.010 9.337 7.150 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.453 11.606 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.713 10.454 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.227 8.753 8.726 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.205 10.054 8.069 1.00 0.00 H new ATOM 561 N LEU A 60 -5.140 7.503 4.853 1.00 0.00 N ATOM 562 CA LEU A 60 -6.067 7.219 3.763 1.00 0.00 C ATOM 563 C LEU A 60 -6.769 8.492 3.299 1.00 0.00 C ATOM 564 O LEU A 60 -7.008 9.416 4.075 1.00 0.00 O ATOM 565 CB LEU A 60 -7.105 6.184 4.205 1.00 0.00 C ATOM 566 CG LEU A 60 -6.557 4.947 4.917 1.00 0.00 C ATOM 567 CD1 LEU A 60 -7.251 4.750 6.255 1.00 0.00 C ATOM 568 CD2 LEU A 60 -6.719 3.712 4.042 1.00 0.00 C ATOM 0 H LEU A 60 -5.246 6.895 5.665 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.494 6.816 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.818 6.674 4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.660 5.857 3.326 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.494 5.099 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.848 3.865 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.082 5.624 6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.321 4.620 6.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.324 2.841 4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.776 3.556 3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.174 3.853 3.109 1.00 0.00 H new ATOM 579 N PRO A 61 -7.108 8.540 2.001 1.00 0.00 N ATOM 580 CA PRO A 61 -7.790 9.693 1.404 1.00 0.00 C ATOM 581 C PRO A 61 -9.230 9.829 1.888 1.00 0.00 C ATOM 582 O PRO A 61 -9.744 8.961 2.593 1.00 0.00 O ATOM 583 CB PRO A 61 -7.756 9.388 -0.095 1.00 0.00 C ATOM 584 CG PRO A 61 -7.658 7.904 -0.177 1.00 0.00 C ATOM 585 CD PRO A 61 -6.854 7.474 1.018 1.00 0.00 C ATOM 0 HA PRO A 61 -7.310 10.634 1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.653 9.754 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.905 9.868 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.647 7.447 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.174 7.596 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.175 6.501 1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -5.794 7.391 0.780 1.00 0.00 H new ATOM 590 N THR A 62 -9.877 10.926 1.504 1.00 0.00 N ATOM 591 CA THR A 62 -11.256 11.177 1.899 1.00 0.00 C ATOM 592 C THR A 62 -12.214 10.926 0.739 1.00 0.00 C ATOM 593 O THR A 62 -11.814 10.423 -0.310 1.00 0.00 O ATOM 594 CB THR A 62 -11.444 12.620 2.402 1.00 0.00 C ATOM 595 OG1 THR A 62 -11.358 13.537 1.304 1.00 0.00 O ATOM 596 CG2 THR A 62 -10.391 12.971 3.444 1.00 0.00 C ATOM 0 H THR A 62 -9.467 11.654 0.920 1.00 0.00 H new ATOM 0 HA THR A 62 -11.483 10.486 2.711 1.00 0.00 H new ATOM 0 HB THR A 62 -12.429 12.695 2.862 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.480 14.452 1.632 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.544 13.995 3.785 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.476 12.290 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.398 12.879 3.003 1.00 0.00 H new ATOM 604 N MET A 63 -13.479 11.283 0.936 1.00 0.00 N ATOM 605 CA MET A 63 -14.494 11.098 -0.095 1.00 0.00 C ATOM 606 C MET A 63 -14.268 12.059 -1.258 1.00 0.00 C ATOM 607 O MET A 63 -14.726 11.817 -2.374 1.00 0.00 O ATOM 608 CB MET A 63 -15.891 11.307 0.491 1.00 0.00 C ATOM 609 CG MET A 63 -16.223 10.351 1.626 1.00 0.00 C ATOM 610 SD MET A 63 -16.327 8.636 1.081 1.00 0.00 S ATOM 611 CE MET A 63 -17.972 8.202 1.640 1.00 0.00 C ATOM 0 H MET A 63 -13.826 11.702 1.799 1.00 0.00 H new ATOM 0 HA MET A 63 -14.415 10.077 -0.469 1.00 0.00 H new ATOM 0 HB2 MET A 63 -15.974 12.332 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 63 -16.630 11.188 -0.301 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.462 10.436 2.402 1.00 0.00 H new ATOM 0 HG3 MET A 63 -17.172 10.643 2.076 1.00 0.00 H new ATOM 0 HE1 MET A 63 -18.185 7.166 1.375 1.00 0.00 H new ATOM 0 HE2 MET A 63 -18.031 8.320 2.722 1.00 0.00 H new ATOM 0 HE3 MET A 63 -18.703 8.856 1.163 1.00 0.00 H new ATOM 619 N ALA A 64 -13.560 13.151 -0.988 1.00 0.00 N ATOM 620 CA ALA A 64 -13.273 14.148 -2.012 1.00 0.00 C ATOM 621 C ALA A 64 -11.982 13.819 -2.752 1.00 0.00 C ATOM 622 O ALA A 64 -11.865 14.062 -3.953 1.00 0.00 O ATOM 623 CB ALA A 64 -13.188 15.535 -1.390 1.00 0.00 C ATOM 0 H ALA A 64 -13.175 13.368 -0.069 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.089 14.135 -2.735 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.973 16.269 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.137 15.779 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.393 15.551 -0.645 1.00 0.00 H new ATOM 629 N GLN A 65 -11.014 13.266 -2.027 1.00 0.00 N ATOM 630 CA GLN A 65 -9.730 12.905 -2.616 1.00 0.00 C ATOM 631 C GLN A 65 -9.926 12.055 -3.869 1.00 0.00 C ATOM 632 O GLN A 65 -9.244 12.252 -4.875 1.00 0.00 O ATOM 633 CB GLN A 65 -8.874 12.147 -1.601 1.00 0.00 C ATOM 634 CG GLN A 65 -8.093 13.055 -0.665 1.00 0.00 C ATOM 635 CD GLN A 65 -7.173 14.006 -1.408 1.00 0.00 C ATOM 636 OE1 GLN A 65 -6.632 13.667 -2.461 1.00 0.00 O ATOM 637 NE2 GLN A 65 -6.992 15.202 -0.862 1.00 0.00 N ATOM 0 H GLN A 65 -11.095 13.059 -1.032 1.00 0.00 H new ATOM 0 HA GLN A 65 -9.217 13.824 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.518 11.496 -1.009 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.176 11.503 -2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.791 13.631 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.503 12.445 0.019 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.461 15.440 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.384 15.883 -1.316 1.00 0.00 H new ATOM 644 N MET A 66 -10.859 11.113 -3.798 1.00 0.00 N ATOM 645 CA MET A 66 -11.145 10.235 -4.927 1.00 0.00 C ATOM 646 C MET A 66 -11.614 11.038 -6.136 1.00 0.00 C ATOM 647 O MET A 66 -10.981 11.016 -7.190 1.00 0.00 O ATOM 648 CB MET A 66 -12.206 9.202 -4.543 1.00 0.00 C ATOM 649 CG MET A 66 -11.908 8.483 -3.238 1.00 0.00 C ATOM 650 SD MET A 66 -10.325 7.618 -3.266 1.00 0.00 S ATOM 651 CE MET A 66 -10.602 6.450 -4.595 1.00 0.00 C ATOM 0 H MET A 66 -11.430 10.937 -2.971 1.00 0.00 H new ATOM 0 HA MET A 66 -10.224 9.716 -5.193 1.00 0.00 H new ATOM 0 HB2 MET A 66 -13.173 9.699 -4.462 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.291 8.466 -5.343 1.00 0.00 H new ATOM 0 HG2 MET A 66 -11.908 9.205 -2.422 1.00 0.00 H new ATOM 0 HG3 MET A 66 -12.705 7.768 -3.032 1.00 0.00 H new ATOM 0 HE1 MET A 66 -10.104 5.509 -4.362 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.672 6.275 -4.709 1.00 0.00 H new ATOM 0 HE3 MET A 66 -10.199 6.854 -5.524 1.00 0.00 H new ATOM 659 N GLU A 67 -12.729 11.745 -5.975 1.00 0.00 N ATOM 660 CA GLU A 67 -13.283 12.554 -7.054 1.00 0.00 C ATOM 661 C GLU A 67 -12.270 13.590 -7.532 1.00 0.00 C ATOM 662 O GLU A 67 -12.357 14.088 -8.655 1.00 0.00 O ATOM 663 CB GLU A 67 -14.563 13.252 -6.592 1.00 0.00 C ATOM 664 CG GLU A 67 -15.541 12.326 -5.886 1.00 0.00 C ATOM 665 CD GLU A 67 -16.988 12.674 -6.178 1.00 0.00 C ATOM 666 OE1 GLU A 67 -17.328 12.859 -7.365 1.00 0.00 O ATOM 667 OE2 GLU A 67 -17.780 12.762 -5.217 1.00 0.00 O ATOM 0 H GLU A 67 -13.266 11.773 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.519 11.891 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -14.299 14.069 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.056 13.697 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.349 11.298 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.369 12.374 -4.811 1.00 0.00 H new ATOM 672 N LYS A 68 -11.309 13.911 -6.672 1.00 0.00 N ATOM 673 CA LYS A 68 -10.279 14.889 -7.004 1.00 0.00 C ATOM 674 C LYS A 68 -9.283 14.308 -8.002 1.00 0.00 C ATOM 675 O LYS A 68 -9.188 14.770 -9.140 1.00 0.00 O ATOM 676 CB LYS A 68 -9.547 15.337 -5.738 1.00 0.00 C ATOM 677 CG LYS A 68 -8.875 16.693 -5.872 1.00 0.00 C ATOM 678 CD LYS A 68 -7.648 16.622 -6.766 1.00 0.00 C ATOM 679 CE LYS A 68 -7.883 17.325 -8.094 1.00 0.00 C ATOM 680 NZ LYS A 68 -7.722 18.800 -7.977 1.00 0.00 N ATOM 0 H LYS A 68 -11.222 13.508 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.763 15.752 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.257 15.373 -4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.795 14.592 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.584 17.412 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.587 17.056 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.799 17.078 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.388 15.579 -6.947 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.184 16.941 -8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.886 17.097 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.890 19.242 -8.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.406 19.170 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.757 19.020 -7.659 1.00 0.00 H new ATOM 690 N ALA A 69 -8.542 13.293 -7.571 1.00 0.00 N ATOM 691 CA ALA A 69 -7.556 12.649 -8.429 1.00 0.00 C ATOM 692 C ALA A 69 -8.215 12.034 -9.658 1.00 0.00 C ATOM 693 O ALA A 69 -7.546 11.736 -10.650 1.00 0.00 O ATOM 694 CB ALA A 69 -6.793 11.585 -7.649 1.00 0.00 C ATOM 0 H ALA A 69 -8.606 12.899 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.854 13.410 -8.769 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.059 11.111 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.282 12.049 -6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.491 10.833 -7.282 1.00 0.00 H new ATOM 700 N LEU A 70 -9.528 11.848 -9.589 1.00 0.00 N ATOM 701 CA LEU A 70 -10.278 11.267 -10.698 1.00 0.00 C ATOM 702 C LEU A 70 -9.955 11.982 -12.006 1.00 0.00 C ATOM 703 O LEU A 70 -9.549 11.354 -12.985 1.00 0.00 O ATOM 704 CB LEU A 70 -11.780 11.345 -10.419 1.00 0.00 C ATOM 705 CG LEU A 70 -12.699 10.994 -11.589 1.00 0.00 C ATOM 706 CD1 LEU A 70 -12.811 9.485 -11.744 1.00 0.00 C ATOM 707 CD2 LEU A 70 -14.075 11.615 -11.393 1.00 0.00 C ATOM 0 H LEU A 70 -10.096 12.091 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.986 10.221 -10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.010 10.677 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.016 12.357 -10.089 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.265 11.402 -12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.469 9.253 -12.581 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.823 9.064 -11.931 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.221 9.055 -10.830 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.715 11.354 -12.236 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.517 11.237 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.980 12.699 -11.332 1.00 0.00 H new ATOM 718 N SER A 71 -10.137 13.299 -12.016 1.00 0.00 N ATOM 719 CA SER A 71 -9.866 14.099 -13.204 1.00 0.00 C ATOM 720 C SER A 71 -8.372 14.126 -13.513 1.00 0.00 C ATOM 721 O SER A 71 -7.961 14.509 -14.609 1.00 0.00 O ATOM 722 CB SER A 71 -10.384 15.525 -13.014 1.00 0.00 C ATOM 723 OG SER A 71 -11.463 15.798 -13.894 1.00 0.00 O ATOM 0 H SER A 71 -10.471 13.834 -11.214 1.00 0.00 H new ATOM 0 HA SER A 71 -10.385 13.640 -14.046 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.708 15.663 -11.982 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.577 16.235 -13.192 1.00 0.00 H new ATOM 0 HG SER A 71 -11.777 16.715 -13.752 1.00 0.00 H new ATOM 728 N ILE A 72 -7.566 13.719 -12.537 1.00 0.00 N ATOM 729 CA ILE A 72 -6.118 13.696 -12.704 1.00 0.00 C ATOM 730 C ILE A 72 -5.663 12.406 -13.374 1.00 0.00 C ATOM 731 O ILE A 72 -4.683 12.391 -14.119 1.00 0.00 O ATOM 732 CB ILE A 72 -5.393 13.843 -11.353 1.00 0.00 C ATOM 733 CG1 ILE A 72 -5.885 15.091 -10.618 1.00 0.00 C ATOM 734 CG2 ILE A 72 -3.888 13.903 -11.563 1.00 0.00 C ATOM 735 CD1 ILE A 72 -5.198 15.324 -9.291 1.00 0.00 C ATOM 0 H ILE A 72 -7.891 13.401 -11.624 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.860 14.543 -13.339 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.619 12.971 -10.739 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.731 15.962 -11.255 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.959 15.004 -10.451 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.390 14.007 -10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.552 12.987 -12.048 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.642 14.758 -12.192 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.598 16.226 -8.828 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.374 14.471 -8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.127 15.443 -9.452 1.00 0.00 H new ATOM 746 N GLY A 73 -6.382 11.319 -13.108 1.00 0.00 N ATOM 747 CA GLY A 73 -6.038 10.038 -13.694 1.00 0.00 C ATOM 748 C GLY A 73 -5.827 8.960 -12.650 1.00 0.00 C ATOM 749 O GLY A 73 -4.991 8.073 -12.824 1.00 0.00 O ATOM 0 H GLY A 73 -7.198 11.304 -12.496 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.831 9.729 -14.375 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.131 10.146 -14.289 1.00 0.00 H new ATOM 753 N PHE A 74 -6.585 9.036 -11.561 1.00 0.00 N ATOM 754 CA PHE A 74 -6.475 8.062 -10.483 1.00 0.00 C ATOM 755 C PHE A 74 -7.615 7.048 -10.547 1.00 0.00 C ATOM 756 O PHE A 74 -8.105 6.584 -9.519 1.00 0.00 O ATOM 757 CB PHE A 74 -6.482 8.767 -9.126 1.00 0.00 C ATOM 758 CG PHE A 74 -6.017 7.896 -7.995 1.00 0.00 C ATOM 759 CD1 PHE A 74 -4.716 7.420 -7.959 1.00 0.00 C ATOM 760 CD2 PHE A 74 -6.880 7.550 -6.967 1.00 0.00 C ATOM 761 CE1 PHE A 74 -4.283 6.618 -6.918 1.00 0.00 C ATOM 762 CE2 PHE A 74 -6.454 6.749 -5.925 1.00 0.00 C ATOM 763 CZ PHE A 74 -5.155 6.282 -5.902 1.00 0.00 C ATOM 0 H PHE A 74 -7.283 9.763 -11.402 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.531 7.530 -10.604 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.844 9.649 -9.181 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.492 9.117 -8.913 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.032 7.678 -8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.898 7.911 -6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.266 6.256 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.136 6.488 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.821 5.654 -5.089 1.00 0.00 H new ATOM 772 N GLU A 75 -8.031 6.711 -11.765 1.00 0.00 N ATOM 773 CA GLU A 75 -9.113 5.754 -11.963 1.00 0.00 C ATOM 774 C GLU A 75 -8.591 4.322 -11.899 1.00 0.00 C ATOM 775 O GLU A 75 -7.425 4.059 -12.195 1.00 0.00 O ATOM 776 CB GLU A 75 -9.798 5.999 -13.309 1.00 0.00 C ATOM 777 CG GLU A 75 -8.865 5.875 -14.501 1.00 0.00 C ATOM 778 CD GLU A 75 -9.608 5.831 -15.822 1.00 0.00 C ATOM 779 OE1 GLU A 75 -10.785 5.415 -15.828 1.00 0.00 O ATOM 780 OE2 GLU A 75 -9.011 6.212 -16.849 1.00 0.00 O ATOM 0 H GLU A 75 -7.636 7.086 -12.627 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.839 5.893 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.617 5.289 -13.424 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.239 6.996 -13.306 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.173 6.718 -14.505 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.265 4.971 -14.396 1.00 0.00 H new ATOM 785 N THR A 76 -9.465 3.397 -11.513 1.00 0.00 N ATOM 786 CA THR A 76 -9.093 1.991 -11.408 1.00 0.00 C ATOM 787 C THR A 76 -10.326 1.107 -11.253 1.00 0.00 C ATOM 788 O THR A 76 -11.334 1.524 -10.683 1.00 0.00 O ATOM 789 CB THR A 76 -8.146 1.747 -10.219 1.00 0.00 C ATOM 790 OG1 THR A 76 -7.998 0.341 -9.991 1.00 0.00 O ATOM 791 CG2 THR A 76 -8.676 2.417 -8.959 1.00 0.00 C ATOM 0 H THR A 76 -10.435 3.596 -11.268 1.00 0.00 H new ATOM 0 HA THR A 76 -8.576 1.731 -12.332 1.00 0.00 H new ATOM 0 HB THR A 76 -7.175 2.180 -10.461 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.393 0.194 -9.234 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.991 2.231 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.760 3.491 -9.126 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.657 2.010 -8.715 1.00 0.00 H new ATOM 799 N CYS A 77 -10.238 -0.117 -11.761 1.00 0.00 N ATOM 800 CA CYS A 77 -11.346 -1.062 -11.679 1.00 0.00 C ATOM 801 C CYS A 77 -11.184 -1.984 -10.474 1.00 0.00 C ATOM 802 O CYS A 77 -11.706 -3.100 -10.459 1.00 0.00 O ATOM 803 CB CYS A 77 -11.434 -1.891 -12.961 1.00 0.00 C ATOM 804 SG CYS A 77 -13.133 -2.336 -13.443 1.00 0.00 S ATOM 0 H CYS A 77 -9.410 -0.479 -12.234 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.268 -0.493 -11.559 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.971 -1.332 -13.775 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.854 -2.804 -12.831 1.00 0.00 H new ATOM 808 N ARG A 78 -10.460 -1.511 -9.464 1.00 0.00 N ATOM 809 CA ARG A 78 -10.230 -2.293 -8.257 1.00 0.00 C ATOM 810 C ARG A 78 -10.612 -1.496 -7.013 1.00 0.00 C ATOM 811 O ARG A 78 -9.995 -0.478 -6.701 1.00 0.00 O ATOM 812 CB ARG A 78 -8.763 -2.719 -8.171 1.00 0.00 C ATOM 813 CG ARG A 78 -8.449 -3.984 -8.953 1.00 0.00 C ATOM 814 CD ARG A 78 -7.798 -3.664 -10.290 1.00 0.00 C ATOM 815 NE ARG A 78 -7.796 -4.817 -11.186 1.00 0.00 N ATOM 816 CZ ARG A 78 -7.507 -4.742 -12.481 1.00 0.00 C ATOM 817 NH1 ARG A 78 -7.197 -3.574 -13.027 1.00 0.00 N ATOM 818 NH2 ARG A 78 -7.526 -5.836 -13.232 1.00 0.00 N ATOM 0 H ARG A 78 -10.023 -0.589 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.858 -3.183 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.136 -1.908 -8.541 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.499 -2.874 -7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.786 -4.620 -8.367 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.367 -4.548 -9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.328 -2.838 -10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.773 -3.332 -10.124 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.029 -5.730 -10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.180 -2.731 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.975 -3.518 -14.021 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.763 -6.736 -12.815 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.304 -5.776 -14.226 1.00 0.00 H new ATOM 829 N TYR A 79 -11.634 -1.968 -6.306 1.00 0.00 N ATOM 830 CA TYR A 79 -12.102 -1.299 -5.098 1.00 0.00 C ATOM 831 C TYR A 79 -10.946 -1.045 -4.134 1.00 0.00 C ATOM 832 O TYR A 79 -9.991 -1.820 -4.074 1.00 0.00 O ATOM 833 CB TYR A 79 -13.180 -2.137 -4.409 1.00 0.00 C ATOM 834 CG TYR A 79 -14.293 -2.569 -5.336 1.00 0.00 C ATOM 835 CD1 TYR A 79 -15.211 -1.650 -5.829 1.00 0.00 C ATOM 836 CD2 TYR A 79 -14.427 -3.898 -5.720 1.00 0.00 C ATOM 837 CE1 TYR A 79 -16.230 -2.042 -6.675 1.00 0.00 C ATOM 838 CE2 TYR A 79 -15.442 -4.300 -6.568 1.00 0.00 C ATOM 839 CZ TYR A 79 -16.342 -3.367 -7.042 1.00 0.00 C ATOM 840 OH TYR A 79 -17.354 -3.761 -7.886 1.00 0.00 O ATOM 0 H TYR A 79 -12.154 -2.811 -6.549 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.529 -0.339 -5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.717 -3.022 -3.973 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.606 -1.562 -3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -15.126 -0.611 -5.546 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -13.725 -4.630 -5.349 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -16.936 -1.314 -7.047 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.530 -5.337 -6.858 1.00 0.00 H new ATOM 0 HH TYR A 79 -17.290 -4.726 -8.045 1.00 0.00 H new ATOM 849 N GLY A 80 -11.041 0.045 -3.379 1.00 0.00 N ATOM 850 CA GLY A 80 -9.999 0.382 -2.428 1.00 0.00 C ATOM 851 C GLY A 80 -10.542 1.081 -1.197 1.00 0.00 C ATOM 852 O GLY A 80 -11.320 2.030 -1.304 1.00 0.00 O ATOM 0 H GLY A 80 -11.822 0.701 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.479 -0.527 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.263 1.024 -2.912 1.00 0.00 H new ATOM 856 N PHE A 81 -10.133 0.613 -0.023 1.00 0.00 N ATOM 857 CA PHE A 81 -10.584 1.197 1.235 1.00 0.00 C ATOM 858 C PHE A 81 -10.005 2.595 1.423 1.00 0.00 C ATOM 859 O PHE A 81 -8.920 2.902 0.927 1.00 0.00 O ATOM 860 CB PHE A 81 -10.184 0.303 2.411 1.00 0.00 C ATOM 861 CG PHE A 81 -10.663 -1.114 2.276 1.00 0.00 C ATOM 862 CD1 PHE A 81 -12.012 -1.393 2.123 1.00 0.00 C ATOM 863 CD2 PHE A 81 -9.765 -2.168 2.303 1.00 0.00 C ATOM 864 CE1 PHE A 81 -12.454 -2.696 1.999 1.00 0.00 C ATOM 865 CE2 PHE A 81 -10.201 -3.473 2.179 1.00 0.00 C ATOM 866 CZ PHE A 81 -11.548 -3.738 2.028 1.00 0.00 C ATOM 0 H PHE A 81 -9.489 -0.171 0.084 1.00 0.00 H new ATOM 0 HA PHE A 81 -11.671 1.274 1.202 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -9.098 0.304 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -10.584 0.727 3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -12.726 -0.583 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.711 -1.967 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -13.508 -2.900 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.489 -4.285 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.892 -4.757 1.933 1.00 0.00 H new ATOM 875 N ILE A 82 -10.735 3.439 2.144 1.00 0.00 N ATOM 876 CA ILE A 82 -10.293 4.805 2.399 1.00 0.00 C ATOM 877 C ILE A 82 -10.827 5.314 3.734 1.00 0.00 C ATOM 878 O ILE A 82 -11.475 4.577 4.476 1.00 0.00 O ATOM 879 CB ILE A 82 -10.745 5.761 1.281 1.00 0.00 C ATOM 880 CG1 ILE A 82 -12.272 5.776 1.177 1.00 0.00 C ATOM 881 CG2 ILE A 82 -10.123 5.354 -0.047 1.00 0.00 C ATOM 882 CD1 ILE A 82 -12.843 7.143 0.868 1.00 0.00 C ATOM 0 H ILE A 82 -11.635 3.201 2.562 1.00 0.00 H new ATOM 0 HA ILE A 82 -9.204 4.784 2.429 1.00 0.00 H new ATOM 0 HB ILE A 82 -10.407 6.768 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -12.582 5.077 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -12.696 5.418 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -10.452 6.039 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.037 5.390 0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -10.434 4.340 -0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -13.929 7.079 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.563 7.841 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -12.448 7.495 -0.085 1.00 0.00 H new ATOM 893 N GLU A 83 -10.552 6.581 4.031 1.00 0.00 N ATOM 894 CA GLU A 83 -11.005 7.190 5.276 1.00 0.00 C ATOM 895 C GLU A 83 -12.526 7.128 5.389 1.00 0.00 C ATOM 896 O GLU A 83 -13.082 7.207 6.483 1.00 0.00 O ATOM 897 CB GLU A 83 -10.534 8.643 5.360 1.00 0.00 C ATOM 898 CG GLU A 83 -10.780 9.284 6.715 1.00 0.00 C ATOM 899 CD GLU A 83 -9.925 10.516 6.941 1.00 0.00 C ATOM 900 OE1 GLU A 83 -10.343 11.615 6.517 1.00 0.00 O ATOM 901 OE2 GLU A 83 -8.839 10.382 7.542 1.00 0.00 O ATOM 0 H GLU A 83 -10.018 7.205 3.426 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.573 6.628 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.468 8.684 5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.044 9.226 4.593 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.832 9.556 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.576 8.556 7.500 1.00 0.00 H new ATOM 906 N GLY A 84 -13.193 6.986 4.248 1.00 0.00 N ATOM 907 CA GLY A 84 -14.643 6.919 4.240 1.00 0.00 C ATOM 908 C GLY A 84 -15.155 5.499 4.092 1.00 0.00 C ATOM 909 O GLY A 84 -15.441 4.828 5.083 1.00 0.00 O ATOM 0 H GLY A 84 -12.756 6.916 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -15.029 7.347 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -15.028 7.528 3.422 1.00 0.00 H new ATOM 913 N HIS A 85 -15.273 5.040 2.850 1.00 0.00 N ATOM 914 CA HIS A 85 -15.755 3.690 2.575 1.00 0.00 C ATOM 915 C HIS A 85 -15.227 3.187 1.236 1.00 0.00 C ATOM 916 O HIS A 85 -14.528 3.907 0.521 1.00 0.00 O ATOM 917 CB HIS A 85 -17.283 3.663 2.578 1.00 0.00 C ATOM 918 CG HIS A 85 -17.883 3.760 3.948 1.00 0.00 C ATOM 919 ND1 HIS A 85 -18.541 4.884 4.403 1.00 0.00 N ATOM 920 CD2 HIS A 85 -17.921 2.865 4.962 1.00 0.00 C ATOM 921 CE1 HIS A 85 -18.957 4.675 5.639 1.00 0.00 C ATOM 922 NE2 HIS A 85 -18.595 3.459 6.000 1.00 0.00 N ATOM 0 H HIS A 85 -15.042 5.583 2.018 1.00 0.00 H new ATOM 0 HA HIS A 85 -15.386 3.031 3.361 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -17.654 4.488 1.969 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -17.623 2.741 2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.500 1.870 4.956 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -19.501 5.380 6.250 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -18.785 3.029 6.905 1.00 0.00 H new ATOM 929 N VAL A 86 -15.565 1.945 0.901 1.00 0.00 N ATOM 930 CA VAL A 86 -15.126 1.346 -0.353 1.00 0.00 C ATOM 931 C VAL A 86 -15.447 2.250 -1.538 1.00 0.00 C ATOM 932 O VAL A 86 -16.606 2.395 -1.925 1.00 0.00 O ATOM 933 CB VAL A 86 -15.783 -0.029 -0.577 1.00 0.00 C ATOM 934 CG1 VAL A 86 -15.339 -0.623 -1.906 1.00 0.00 C ATOM 935 CG2 VAL A 86 -15.454 -0.970 0.573 1.00 0.00 C ATOM 0 H VAL A 86 -16.141 1.335 1.481 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.046 1.218 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 86 -16.864 0.105 -0.609 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -15.813 -1.594 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -15.629 0.044 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -14.256 -0.745 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -15.926 -1.937 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.374 -1.100 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.826 -0.548 1.506 1.00 0.00 H new ATOM 945 N VAL A 87 -14.411 2.856 -2.109 1.00 0.00 N ATOM 946 CA VAL A 87 -14.583 3.745 -3.253 1.00 0.00 C ATOM 947 C VAL A 87 -13.874 3.199 -4.486 1.00 0.00 C ATOM 948 O VAL A 87 -13.013 2.323 -4.383 1.00 0.00 O ATOM 949 CB VAL A 87 -14.047 5.158 -2.950 1.00 0.00 C ATOM 950 CG1 VAL A 87 -14.996 5.901 -2.021 1.00 0.00 C ATOM 951 CG2 VAL A 87 -12.652 5.081 -2.350 1.00 0.00 C ATOM 0 H VAL A 87 -13.445 2.748 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 87 -15.653 3.804 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 87 -13.985 5.713 -3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -14.601 6.897 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -15.974 5.988 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -15.093 5.351 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -12.289 6.088 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -12.686 4.509 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -11.980 4.591 -3.054 1.00 0.00 H new ATOM 961 N ILE A 88 -14.239 3.721 -5.652 1.00 0.00 N ATOM 962 CA ILE A 88 -13.637 3.285 -6.906 1.00 0.00 C ATOM 963 C ILE A 88 -14.028 4.210 -8.054 1.00 0.00 C ATOM 964 O ILE A 88 -14.947 3.930 -8.823 1.00 0.00 O ATOM 965 CB ILE A 88 -14.049 1.845 -7.259 1.00 0.00 C ATOM 966 CG1 ILE A 88 -13.524 1.465 -8.645 1.00 0.00 C ATOM 967 CG2 ILE A 88 -15.563 1.697 -7.202 1.00 0.00 C ATOM 968 CD1 ILE A 88 -13.235 -0.012 -8.798 1.00 0.00 C ATOM 0 H ILE A 88 -14.949 4.446 -5.755 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.557 3.320 -6.766 1.00 0.00 H new ATOM 0 HB ILE A 88 -13.609 1.168 -6.526 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.255 1.763 -9.396 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -12.613 2.028 -8.846 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -15.838 0.673 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -15.914 1.930 -6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -16.023 2.382 -7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.866 -0.208 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -12.481 -0.312 -8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.149 -0.581 -8.629 1.00 0.00 H new ATOM 979 N PRO A 89 -13.312 5.338 -8.175 1.00 0.00 N ATOM 980 CA PRO A 89 -13.565 6.325 -9.228 1.00 0.00 C ATOM 981 C PRO A 89 -13.173 5.813 -10.610 1.00 0.00 C ATOM 982 O PRO A 89 -12.278 4.978 -10.742 1.00 0.00 O ATOM 983 CB PRO A 89 -12.678 7.508 -8.826 1.00 0.00 C ATOM 984 CG PRO A 89 -11.585 6.902 -8.015 1.00 0.00 C ATOM 985 CD PRO A 89 -12.201 5.736 -7.293 1.00 0.00 C ATOM 0 HA PRO A 89 -14.623 6.574 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -12.283 8.022 -9.702 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.237 8.245 -8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.762 6.576 -8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -11.176 7.625 -7.310 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -11.486 4.925 -7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.556 6.019 -6.302 1.00 0.00 H new ATOM 990 N ARG A 90 -13.849 6.319 -11.636 1.00 0.00 N ATOM 991 CA ARG A 90 -13.571 5.911 -13.009 1.00 0.00 C ATOM 992 C ARG A 90 -13.772 7.075 -13.973 1.00 0.00 C ATOM 993 O ARG A 90 -14.781 7.779 -13.910 1.00 0.00 O ATOM 994 CB ARG A 90 -14.475 4.742 -13.409 1.00 0.00 C ATOM 995 CG ARG A 90 -13.921 3.383 -13.016 1.00 0.00 C ATOM 996 CD ARG A 90 -14.685 2.785 -11.845 1.00 0.00 C ATOM 997 NE ARG A 90 -14.850 1.341 -11.977 1.00 0.00 N ATOM 998 CZ ARG A 90 -15.780 0.645 -11.333 1.00 0.00 C ATOM 999 NH1 ARG A 90 -16.626 1.258 -10.517 1.00 0.00 N ATOM 1000 NH2 ARG A 90 -15.866 -0.667 -11.506 1.00 0.00 N ATOM 0 H ARG A 90 -14.592 7.011 -11.543 1.00 0.00 H new ATOM 0 HA ARG A 90 -12.530 5.592 -13.063 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.453 4.874 -12.946 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.628 4.765 -14.488 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.974 2.707 -13.869 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.868 3.481 -12.752 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -14.157 3.006 -10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.665 3.256 -11.774 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.216 0.838 -12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -16.564 2.267 -10.382 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -17.339 0.721 -10.024 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.218 -1.142 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.580 -1.201 -11.011 1.00 0.00 H new ATOM 1011 N ILE A 91 -12.805 7.272 -14.862 1.00 0.00 N ATOM 1012 CA ILE A 91 -12.875 8.353 -15.840 1.00 0.00 C ATOM 1013 C ILE A 91 -13.495 7.870 -17.148 1.00 0.00 C ATOM 1014 O ILE A 91 -14.631 8.218 -17.472 1.00 0.00 O ATOM 1015 CB ILE A 91 -11.482 8.939 -16.133 1.00 0.00 C ATOM 1016 CG1 ILE A 91 -10.829 9.431 -14.838 1.00 0.00 C ATOM 1017 CG2 ILE A 91 -11.585 10.072 -17.143 1.00 0.00 C ATOM 1018 CD1 ILE A 91 -9.373 9.044 -14.710 1.00 0.00 C ATOM 0 H ILE A 91 -11.964 6.698 -14.926 1.00 0.00 H new ATOM 0 HA ILE A 91 -13.503 9.131 -15.406 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.857 8.154 -16.559 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.914 10.517 -14.788 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -11.379 9.029 -13.988 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -10.592 10.476 -17.339 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -12.013 9.694 -18.071 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -12.224 10.859 -16.743 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.976 9.426 -13.769 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.282 7.958 -14.728 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.809 9.469 -15.540 1.00 0.00 H new ATOM 1029 N HIS A 92 -12.743 7.068 -17.893 1.00 0.00 N ATOM 1030 CA HIS A 92 -13.220 6.536 -19.163 1.00 0.00 C ATOM 1031 C HIS A 92 -13.153 5.011 -19.174 1.00 0.00 C ATOM 1032 O HIS A 92 -12.385 4.403 -19.920 1.00 0.00 O ATOM 1033 CB HIS A 92 -12.395 7.100 -20.320 1.00 0.00 C ATOM 1034 CG HIS A 92 -13.107 7.068 -21.637 1.00 0.00 C ATOM 1035 ND1 HIS A 92 -12.731 7.841 -22.715 1.00 0.00 N ATOM 1036 CD2 HIS A 92 -14.176 6.348 -22.047 1.00 0.00 C ATOM 1037 CE1 HIS A 92 -13.540 7.600 -23.731 1.00 0.00 C ATOM 1038 NE2 HIS A 92 -14.427 6.696 -23.351 1.00 0.00 N ATOM 0 H HIS A 92 -11.800 6.772 -17.639 1.00 0.00 H new ATOM 0 HA HIS A 92 -14.260 6.839 -19.286 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.120 8.129 -20.091 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.468 6.533 -20.404 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -14.730 5.632 -21.458 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -13.486 8.062 -24.706 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.176 6.319 -23.932 1.00 0.00 H new ATOM 1045 N PRO A 93 -13.977 4.377 -18.325 1.00 0.00 N ATOM 1046 CA PRO A 93 -14.029 2.915 -18.217 1.00 0.00 C ATOM 1047 C PRO A 93 -14.642 2.265 -19.453 1.00 0.00 C ATOM 1048 O PRO A 93 -14.869 2.925 -20.467 1.00 0.00 O ATOM 1049 CB PRO A 93 -14.919 2.682 -16.993 1.00 0.00 C ATOM 1050 CG PRO A 93 -15.769 3.902 -16.904 1.00 0.00 C ATOM 1051 CD PRO A 93 -14.919 5.036 -17.406 1.00 0.00 C ATOM 0 HA PRO A 93 -13.035 2.476 -18.128 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.526 1.784 -17.110 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.323 2.548 -16.090 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.671 3.794 -17.506 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.090 4.080 -15.878 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.517 5.791 -17.917 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -14.399 5.540 -16.591 1.00 0.00 H new ATOM 1056 N ASN A 94 -14.909 0.967 -19.361 1.00 0.00 N ATOM 1057 CA ASN A 94 -15.497 0.226 -20.472 1.00 0.00 C ATOM 1058 C ASN A 94 -16.327 -0.949 -19.966 1.00 0.00 C ATOM 1059 O ASN A 94 -16.491 -1.131 -18.759 1.00 0.00 O ATOM 1060 CB ASN A 94 -14.400 -0.279 -21.413 1.00 0.00 C ATOM 1061 CG ASN A 94 -13.820 0.828 -22.272 1.00 0.00 C ATOM 1062 OD1 ASN A 94 -12.720 1.318 -22.014 1.00 0.00 O ATOM 1063 ND2 ASN A 94 -14.560 1.228 -23.299 1.00 0.00 N ATOM 0 H ASN A 94 -14.728 0.406 -18.529 1.00 0.00 H new ATOM 0 HA ASN A 94 -16.154 0.903 -21.019 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.603 -0.735 -20.826 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.808 -1.059 -22.056 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -14.223 1.970 -23.912 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.466 0.793 -23.475 1.00 0.00 H new ATOM 1069 N SER A 95 -16.850 -1.742 -20.894 1.00 0.00 N ATOM 1070 CA SER A 95 -17.667 -2.897 -20.543 1.00 0.00 C ATOM 1071 C SER A 95 -16.891 -3.857 -19.646 1.00 0.00 C ATOM 1072 O SER A 95 -17.482 -4.645 -18.906 1.00 0.00 O ATOM 1073 CB SER A 95 -18.133 -3.623 -21.806 1.00 0.00 C ATOM 1074 OG SER A 95 -17.034 -4.190 -22.501 1.00 0.00 O ATOM 0 H SER A 95 -16.722 -1.606 -21.897 1.00 0.00 H new ATOM 0 HA SER A 95 -18.540 -2.541 -19.996 1.00 0.00 H new ATOM 0 HB2 SER A 95 -18.842 -4.406 -21.539 1.00 0.00 H new ATOM 0 HB3 SER A 95 -18.659 -2.925 -22.458 1.00 0.00 H new ATOM 0 HG SER A 95 -17.357 -4.650 -23.304 1.00 0.00 H new ATOM 1079 N ILE A 96 -15.566 -3.785 -19.718 1.00 0.00 N ATOM 1080 CA ILE A 96 -14.710 -4.647 -18.914 1.00 0.00 C ATOM 1081 C ILE A 96 -15.012 -4.488 -17.427 1.00 0.00 C ATOM 1082 O ILE A 96 -14.900 -5.439 -16.653 1.00 0.00 O ATOM 1083 CB ILE A 96 -13.220 -4.348 -19.158 1.00 0.00 C ATOM 1084 CG1 ILE A 96 -12.925 -2.868 -18.896 1.00 0.00 C ATOM 1085 CG2 ILE A 96 -12.830 -4.727 -20.579 1.00 0.00 C ATOM 1086 CD1 ILE A 96 -11.472 -2.496 -19.100 1.00 0.00 C ATOM 0 H ILE A 96 -15.062 -3.138 -20.325 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.920 -5.672 -19.218 1.00 0.00 H new ATOM 0 HB ILE A 96 -12.626 -4.946 -18.467 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.543 -2.260 -19.556 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -13.214 -2.624 -17.874 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -11.774 -4.510 -20.737 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -13.009 -5.791 -20.734 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -13.428 -4.152 -21.286 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -11.336 -1.434 -18.897 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -10.849 -3.078 -18.421 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -11.183 -2.708 -20.129 1.00 0.00 H new ATOM 1097 N CYS A 97 -15.397 -3.278 -17.033 1.00 0.00 N ATOM 1098 CA CYS A 97 -15.715 -2.992 -15.640 1.00 0.00 C ATOM 1099 C CYS A 97 -17.164 -3.354 -15.328 1.00 0.00 C ATOM 1100 O CYS A 97 -17.900 -3.819 -16.200 1.00 0.00 O ATOM 1101 CB CYS A 97 -15.470 -1.514 -15.332 1.00 0.00 C ATOM 1102 SG CYS A 97 -13.746 -1.121 -14.892 1.00 0.00 S ATOM 0 H CYS A 97 -15.496 -2.480 -17.660 1.00 0.00 H new ATOM 0 HA CYS A 97 -15.063 -3.600 -15.012 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -15.756 -0.921 -16.200 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.121 -1.212 -14.511 1.00 0.00 H new ATOM 1106 N ALA A 98 -17.567 -3.139 -14.080 1.00 0.00 N ATOM 1107 CA ALA A 98 -18.929 -3.440 -13.656 1.00 0.00 C ATOM 1108 C ALA A 98 -19.934 -2.519 -14.337 1.00 0.00 C ATOM 1109 O ALA A 98 -20.071 -1.352 -13.969 1.00 0.00 O ATOM 1110 CB ALA A 98 -19.046 -3.325 -12.143 1.00 0.00 C ATOM 0 H ALA A 98 -16.970 -2.758 -13.346 1.00 0.00 H new ATOM 0 HA ALA A 98 -19.157 -4.464 -13.952 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -20.068 -3.552 -11.839 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -18.362 -4.030 -11.671 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -18.793 -2.311 -11.835 1.00 0.00 H new ATOM 1116 N ALA A 99 -20.635 -3.051 -15.334 1.00 0.00 N ATOM 1117 CA ALA A 99 -21.629 -2.277 -16.067 1.00 0.00 C ATOM 1118 C ALA A 99 -21.024 -0.991 -16.621 1.00 0.00 C ATOM 1119 O ALA A 99 -21.727 -0.006 -16.840 1.00 0.00 O ATOM 1120 CB ALA A 99 -22.816 -1.958 -15.170 1.00 0.00 C ATOM 0 H ALA A 99 -20.532 -4.015 -15.652 1.00 0.00 H new ATOM 0 HA ALA A 99 -21.973 -2.879 -16.908 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -23.550 -1.380 -15.730 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -23.271 -2.886 -14.825 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -22.477 -1.379 -14.311 1.00 0.00 H new ATOM 1126 N ASN A 100 -19.714 -1.010 -16.848 1.00 0.00 N ATOM 1127 CA ASN A 100 -19.014 0.155 -17.378 1.00 0.00 C ATOM 1128 C ASN A 100 -19.515 1.436 -16.719 1.00 0.00 C ATOM 1129 O ASN A 100 -19.674 2.464 -17.377 1.00 0.00 O ATOM 1130 CB ASN A 100 -19.198 0.241 -18.894 1.00 0.00 C ATOM 1131 CG ASN A 100 -20.640 0.499 -19.288 1.00 0.00 C ATOM 1132 OD1 ASN A 100 -21.392 -0.573 -19.511 1.00 0.00 O flip ATOM 1133 ND2 ASN A 100 -21.071 1.647 -19.390 1.00 0.00 N flip ATOM 0 H ASN A 100 -19.117 -1.818 -16.673 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.953 0.044 -17.154 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.568 1.038 -19.289 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -18.860 -0.689 -19.352 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -20.456 2.441 -19.209 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -22.043 1.805 -19.656 1.00 0.00 H new ATOM 1139 N ASN A 101 -19.762 1.369 -15.415 1.00 0.00 N ATOM 1140 CA ASN A 101 -20.246 2.524 -14.667 1.00 0.00 C ATOM 1141 C ASN A 101 -19.360 3.741 -14.914 1.00 0.00 C ATOM 1142 O ASN A 101 -18.268 3.626 -15.471 1.00 0.00 O ATOM 1143 CB ASN A 101 -20.291 2.206 -13.172 1.00 0.00 C ATOM 1144 CG ASN A 101 -21.430 1.270 -12.813 1.00 0.00 C ATOM 1145 OD1 ASN A 101 -22.337 1.044 -13.612 1.00 0.00 O ATOM 1146 ND2 ASN A 101 -21.385 0.721 -11.605 1.00 0.00 N ATOM 0 H ASN A 101 -19.635 0.527 -14.854 1.00 0.00 H new ATOM 0 HA ASN A 101 -21.254 2.754 -15.013 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.345 1.755 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -20.396 3.134 -12.609 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -22.123 0.083 -11.307 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -20.613 0.937 -10.975 1.00 0.00 H new ATOM 1152 N THR A 102 -19.839 4.908 -14.495 1.00 0.00 N ATOM 1153 CA THR A 102 -19.092 6.148 -14.670 1.00 0.00 C ATOM 1154 C THR A 102 -19.100 6.980 -13.393 1.00 0.00 C ATOM 1155 O THR A 102 -19.829 6.678 -12.448 1.00 0.00 O ATOM 1156 CB THR A 102 -19.667 6.992 -15.824 1.00 0.00 C ATOM 1157 OG1 THR A 102 -21.070 7.198 -15.628 1.00 0.00 O ATOM 1158 CG2 THR A 102 -19.430 6.310 -17.163 1.00 0.00 C ATOM 0 H THR A 102 -20.741 5.021 -14.032 1.00 0.00 H new ATOM 0 HA THR A 102 -18.066 5.868 -14.911 1.00 0.00 H new ATOM 0 HB THR A 102 -19.157 7.955 -15.830 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.428 7.737 -16.365 1.00 0.00 H new ATOM 0 HG21 THR A 102 -19.844 6.924 -17.963 1.00 0.00 H new ATOM 0 HG22 THR A 102 -18.359 6.182 -17.322 1.00 0.00 H new ATOM 0 HG23 THR A 102 -19.916 5.335 -17.166 1.00 0.00 H new ATOM 1166 N GLY A 103 -18.284 8.031 -13.372 1.00 0.00 N ATOM 1167 CA GLY A 103 -18.215 8.891 -12.205 1.00 0.00 C ATOM 1168 C GLY A 103 -17.463 8.249 -11.056 1.00 0.00 C ATOM 1169 O GLY A 103 -16.457 7.570 -11.265 1.00 0.00 O ATOM 0 H GLY A 103 -17.671 8.301 -14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.728 9.828 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -19.225 9.140 -11.880 1.00 0.00 H new ATOM 1173 N VAL A 104 -17.949 8.465 -9.838 1.00 0.00 N ATOM 1174 CA VAL A 104 -17.316 7.904 -8.651 1.00 0.00 C ATOM 1175 C VAL A 104 -18.255 6.947 -7.928 1.00 0.00 C ATOM 1176 O VAL A 104 -19.310 7.349 -7.435 1.00 0.00 O ATOM 1177 CB VAL A 104 -16.873 9.010 -7.673 1.00 0.00 C ATOM 1178 CG1 VAL A 104 -16.123 8.411 -6.493 1.00 0.00 C ATOM 1179 CG2 VAL A 104 -16.020 10.044 -8.390 1.00 0.00 C ATOM 0 H VAL A 104 -18.780 9.025 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 104 -16.436 7.358 -8.991 1.00 0.00 H new ATOM 0 HB VAL A 104 -17.762 9.510 -7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -15.818 9.207 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -16.773 7.713 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -15.240 7.884 -6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -15.716 10.817 -7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -15.134 9.562 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -16.597 10.496 -9.197 1.00 0.00 H new ATOM 1189 N TYR A 105 -17.866 5.678 -7.865 1.00 0.00 N ATOM 1190 CA TYR A 105 -18.675 4.661 -7.203 1.00 0.00 C ATOM 1191 C TYR A 105 -18.154 4.381 -5.796 1.00 0.00 C ATOM 1192 O TYR A 105 -16.945 4.311 -5.574 1.00 0.00 O ATOM 1193 CB TYR A 105 -18.683 3.371 -8.023 1.00 0.00 C ATOM 1194 CG TYR A 105 -20.009 2.644 -7.999 1.00 0.00 C ATOM 1195 CD1 TYR A 105 -21.126 3.176 -8.631 1.00 0.00 C ATOM 1196 CD2 TYR A 105 -20.145 1.428 -7.343 1.00 0.00 C ATOM 1197 CE1 TYR A 105 -22.340 2.516 -8.611 1.00 0.00 C ATOM 1198 CE2 TYR A 105 -21.354 0.760 -7.318 1.00 0.00 C ATOM 1199 CZ TYR A 105 -22.448 1.308 -7.952 1.00 0.00 C ATOM 1200 OH TYR A 105 -23.655 0.649 -7.930 1.00 0.00 O ATOM 0 H TYR A 105 -16.995 5.329 -8.265 1.00 0.00 H new ATOM 0 HA TYR A 105 -19.694 5.039 -7.125 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -18.426 3.606 -9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -17.907 2.706 -7.645 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -21.044 4.121 -9.147 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -19.290 0.997 -6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -23.199 2.943 -9.108 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -21.441 -0.186 -6.805 1.00 0.00 H new ATOM 0 HH TYR A 105 -23.562 -0.187 -7.426 1.00 0.00 H new ATOM 1209 N ILE A 106 -19.074 4.220 -4.852 1.00 0.00 N ATOM 1210 CA ILE A 106 -18.708 3.944 -3.469 1.00 0.00 C ATOM 1211 C ILE A 106 -19.401 2.687 -2.957 1.00 0.00 C ATOM 1212 O ILE A 106 -20.358 2.763 -2.184 1.00 0.00 O ATOM 1213 CB ILE A 106 -19.065 5.125 -2.546 1.00 0.00 C ATOM 1214 CG1 ILE A 106 -18.572 6.441 -3.152 1.00 0.00 C ATOM 1215 CG2 ILE A 106 -18.468 4.916 -1.163 1.00 0.00 C ATOM 1216 CD1 ILE A 106 -18.900 7.655 -2.309 1.00 0.00 C ATOM 0 H ILE A 106 -20.079 4.276 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 106 -17.629 3.793 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 106 -20.149 5.175 -2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -17.492 6.386 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -19.014 6.565 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -18.729 5.759 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -18.863 3.996 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -17.383 4.843 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -18.521 8.552 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -19.981 7.735 -2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -18.435 7.553 -1.328 1.00 0.00 H new ATOM 1227 N LEU A 107 -18.911 1.531 -3.389 1.00 0.00 N ATOM 1228 CA LEU A 107 -19.481 0.254 -2.973 1.00 0.00 C ATOM 1229 C LEU A 107 -19.585 0.173 -1.454 1.00 0.00 C ATOM 1230 O LEU A 107 -18.978 0.968 -0.735 1.00 0.00 O ATOM 1231 CB LEU A 107 -18.630 -0.902 -3.499 1.00 0.00 C ATOM 1232 CG LEU A 107 -19.281 -2.286 -3.461 1.00 0.00 C ATOM 1233 CD1 LEU A 107 -20.598 -2.278 -4.220 1.00 0.00 C ATOM 1234 CD2 LEU A 107 -18.340 -3.335 -4.035 1.00 0.00 C ATOM 0 H LEU A 107 -18.120 1.451 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 107 -20.484 0.179 -3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -18.351 -0.682 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.707 -0.940 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 107 -19.486 -2.540 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -21.046 -3.271 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -21.276 -1.556 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -20.418 -2.001 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -18.820 -4.313 -4.000 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.103 -3.084 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -17.422 -3.360 -3.448 1.00 0.00 H new ATOM 1306 N GLN A 113 -10.630 -9.375 0.610 1.00 0.00 N ATOM 1307 CA GLN A 113 -9.492 -8.465 0.660 1.00 0.00 C ATOM 1308 C GLN A 113 -9.342 -7.710 -0.656 1.00 0.00 C ATOM 1309 O GLN A 113 -9.761 -8.188 -1.710 1.00 0.00 O ATOM 1310 CB GLN A 113 -8.208 -9.238 0.969 1.00 0.00 C ATOM 1311 CG GLN A 113 -8.228 -9.937 2.319 1.00 0.00 C ATOM 1312 CD GLN A 113 -9.037 -11.219 2.299 1.00 0.00 C ATOM 1313 OE1 GLN A 113 -8.966 -11.999 1.349 1.00 0.00 O ATOM 1314 NE2 GLN A 113 -9.815 -11.443 3.352 1.00 0.00 N ATOM 0 HA GLN A 113 -9.671 -7.741 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -8.044 -9.980 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.363 -8.550 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -7.206 -10.161 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.642 -9.262 3.068 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.843 -10.770 4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -10.384 -12.288 3.395 1.00 0.00 H new ATOM 1321 N TYR A 114 -8.740 -6.528 -0.587 1.00 0.00 N ATOM 1322 CA TYR A 114 -8.538 -5.703 -1.772 1.00 0.00 C ATOM 1323 C TYR A 114 -7.332 -4.786 -1.599 1.00 0.00 C ATOM 1324 O TYR A 114 -6.627 -4.852 -0.590 1.00 0.00 O ATOM 1325 CB TYR A 114 -9.788 -4.871 -2.061 1.00 0.00 C ATOM 1326 CG TYR A 114 -10.956 -5.688 -2.563 1.00 0.00 C ATOM 1327 CD1 TYR A 114 -11.001 -6.142 -3.874 1.00 0.00 C ATOM 1328 CD2 TYR A 114 -12.017 -6.006 -1.723 1.00 0.00 C ATOM 1329 CE1 TYR A 114 -12.068 -6.888 -4.337 1.00 0.00 C ATOM 1330 CE2 TYR A 114 -13.088 -6.754 -2.174 1.00 0.00 C ATOM 1331 CZ TYR A 114 -13.110 -7.192 -3.483 1.00 0.00 C ATOM 1332 OH TYR A 114 -14.172 -7.936 -3.939 1.00 0.00 O ATOM 0 H TYR A 114 -8.383 -6.120 0.277 1.00 0.00 H new ATOM 0 HA TYR A 114 -8.349 -6.366 -2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -10.085 -4.349 -1.151 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.544 -4.109 -2.801 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.187 -5.908 -4.544 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -12.004 -5.662 -0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -12.087 -7.231 -5.361 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -13.902 -6.994 -1.507 1.00 0.00 H new ATOM 0 HH TYR A 114 -14.819 -8.062 -3.213 1.00 0.00 H new ATOM 1341 N ASP A 115 -7.099 -3.931 -2.587 1.00 0.00 N ATOM 1342 CA ASP A 115 -5.979 -2.996 -2.545 1.00 0.00 C ATOM 1343 C ASP A 115 -6.233 -1.890 -1.526 1.00 0.00 C ATOM 1344 O ASP A 115 -7.299 -1.827 -0.914 1.00 0.00 O ATOM 1345 CB ASP A 115 -5.741 -2.389 -3.927 1.00 0.00 C ATOM 1346 CG ASP A 115 -4.274 -2.115 -4.195 1.00 0.00 C ATOM 1347 OD1 ASP A 115 -3.437 -2.975 -3.848 1.00 0.00 O ATOM 1348 OD2 ASP A 115 -3.962 -1.042 -4.753 1.00 0.00 O ATOM 0 H ASP A 115 -7.671 -3.865 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.089 -3.547 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.126 -3.066 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.303 -1.459 -4.014 1.00 0.00 H new ATOM 1352 N THR A 116 -5.245 -1.019 -1.348 1.00 0.00 N ATOM 1353 CA THR A 116 -5.360 0.084 -0.401 1.00 0.00 C ATOM 1354 C THR A 116 -4.668 1.335 -0.929 1.00 0.00 C ATOM 1355 O THR A 116 -3.584 1.259 -1.510 1.00 0.00 O ATOM 1356 CB THR A 116 -4.756 -0.284 0.967 1.00 0.00 C ATOM 1357 OG1 THR A 116 -4.962 0.785 1.898 1.00 0.00 O ATOM 1358 CG2 THR A 116 -3.268 -0.574 0.841 1.00 0.00 C ATOM 0 H THR A 116 -4.356 -1.056 -1.847 1.00 0.00 H new ATOM 0 HA THR A 116 -6.424 0.285 -0.277 1.00 0.00 H new ATOM 0 HB THR A 116 -5.256 -1.182 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.875 1.129 1.804 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.863 -0.832 1.820 1.00 0.00 H new ATOM 0 HG22 THR A 116 -3.117 -1.407 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 116 -2.756 0.309 0.458 1.00 0.00 H new ATOM 1366 N TYR A 117 -5.298 2.487 -0.724 1.00 0.00 N ATOM 1367 CA TYR A 117 -4.742 3.755 -1.180 1.00 0.00 C ATOM 1368 C TYR A 117 -4.444 4.676 -0.001 1.00 0.00 C ATOM 1369 O TYR A 117 -5.259 4.820 0.911 1.00 0.00 O ATOM 1370 CB TYR A 117 -5.710 4.442 -2.146 1.00 0.00 C ATOM 1371 CG TYR A 117 -6.297 3.507 -3.181 1.00 0.00 C ATOM 1372 CD1 TYR A 117 -5.519 2.524 -3.779 1.00 0.00 C ATOM 1373 CD2 TYR A 117 -7.630 3.609 -3.560 1.00 0.00 C ATOM 1374 CE1 TYR A 117 -6.051 1.669 -4.725 1.00 0.00 C ATOM 1375 CE2 TYR A 117 -8.171 2.757 -4.505 1.00 0.00 C ATOM 1376 CZ TYR A 117 -7.377 1.790 -5.084 1.00 0.00 C ATOM 1377 OH TYR A 117 -7.911 0.940 -6.026 1.00 0.00 O ATOM 0 H TYR A 117 -6.195 2.568 -0.245 1.00 0.00 H new ATOM 0 HA TYR A 117 -3.807 3.546 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -6.521 4.894 -1.575 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -5.188 5.253 -2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -4.480 2.426 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -8.254 4.366 -3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -5.432 0.910 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -9.209 2.848 -4.788 1.00 0.00 H new ATOM 0 HH TYR A 117 -8.822 0.692 -5.764 1.00 0.00 H new ATOM 1386 N CYS A 118 -3.271 5.297 -0.027 1.00 0.00 N ATOM 1387 CA CYS A 118 -2.862 6.205 1.039 1.00 0.00 C ATOM 1388 C CYS A 118 -2.697 7.626 0.509 1.00 0.00 C ATOM 1389 O CYS A 118 -2.213 7.833 -0.605 1.00 0.00 O ATOM 1390 CB CYS A 118 -1.553 5.728 1.669 1.00 0.00 C ATOM 1391 SG CYS A 118 -1.646 4.065 2.410 1.00 0.00 S ATOM 0 H CYS A 118 -2.586 5.189 -0.775 1.00 0.00 H new ATOM 0 HA CYS A 118 -3.643 6.208 1.800 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -0.773 5.732 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -1.251 6.440 2.437 1.00 0.00 H new ATOM 1395 N PHE A 119 -3.101 8.603 1.315 1.00 0.00 N ATOM 1396 CA PHE A 119 -2.997 10.005 0.927 1.00 0.00 C ATOM 1397 C PHE A 119 -1.995 10.741 1.812 1.00 0.00 C ATOM 1398 O PHE A 119 -2.051 10.652 3.037 1.00 0.00 O ATOM 1399 CB PHE A 119 -4.367 10.683 1.014 1.00 0.00 C ATOM 1400 CG PHE A 119 -4.313 12.171 0.822 1.00 0.00 C ATOM 1401 CD1 PHE A 119 -3.865 12.712 -0.372 1.00 0.00 C ATOM 1402 CD2 PHE A 119 -4.709 13.028 1.836 1.00 0.00 C ATOM 1403 CE1 PHE A 119 -3.814 14.082 -0.553 1.00 0.00 C ATOM 1404 CE2 PHE A 119 -4.661 14.399 1.661 1.00 0.00 C ATOM 1405 CZ PHE A 119 -4.212 14.926 0.466 1.00 0.00 C ATOM 0 H PHE A 119 -3.503 8.450 2.240 1.00 0.00 H new ATOM 0 HA PHE A 119 -2.644 10.046 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.026 10.251 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.810 10.466 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.552 12.056 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -5.059 12.621 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -3.464 14.491 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -4.974 15.057 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 119 -4.172 15.996 0.328 1.00 0.00 H new ATOM 1414 N ASN A 120 -1.081 11.469 1.180 1.00 0.00 N ATOM 1415 CA ASN A 120 -0.065 12.221 1.909 1.00 0.00 C ATOM 1416 C ASN A 120 -0.250 13.721 1.708 1.00 0.00 C ATOM 1417 O ASN A 120 -0.378 14.196 0.579 1.00 0.00 O ATOM 1418 CB ASN A 120 1.334 11.803 1.453 1.00 0.00 C ATOM 1419 CG ASN A 120 2.383 12.027 2.524 1.00 0.00 C ATOM 1420 OD1 ASN A 120 2.118 12.663 3.546 1.00 0.00 O ATOM 1421 ND2 ASN A 120 3.584 11.507 2.296 1.00 0.00 N ATOM 0 H ASN A 120 -1.022 11.555 0.165 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.176 11.998 2.970 1.00 0.00 H new ATOM 0 HB2 ASN A 120 1.322 10.749 1.175 1.00 0.00 H new ATOM 0 HB3 ASN A 120 1.605 12.366 0.560 1.00 0.00 H new ATOM 0 HD21 ASN A 120 4.330 11.627 2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 120 3.760 10.987 1.436 1.00 0.00 H new ATOM 1427 N ALA A 121 -0.262 14.463 2.810 1.00 0.00 N ATOM 1428 CA ALA A 121 -0.427 15.911 2.755 1.00 0.00 C ATOM 1429 C ALA A 121 0.915 16.611 2.577 1.00 0.00 C ATOM 1430 O ALA A 121 1.255 17.522 3.331 1.00 0.00 O ATOM 1431 CB ALA A 121 -1.122 16.410 4.013 1.00 0.00 C ATOM 0 H ALA A 121 -0.159 14.086 3.752 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.047 16.149 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.239 17.492 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -2.103 15.943 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -0.522 16.153 4.886 1.00 0.00 H new ATOM 1437 N SER A 122 1.673 16.180 1.574 1.00 0.00 N ATOM 1438 CA SER A 122 2.981 16.764 1.300 1.00 0.00 C ATOM 1439 C SER A 122 3.164 17.009 -0.195 1.00 0.00 C ATOM 1440 O SER A 122 3.339 18.146 -0.632 1.00 0.00 O ATOM 1441 CB SER A 122 4.091 15.845 1.816 1.00 0.00 C ATOM 1442 OG SER A 122 4.286 16.017 3.210 1.00 0.00 O ATOM 0 H SER A 122 1.404 15.429 0.938 1.00 0.00 H new ATOM 0 HA SER A 122 3.040 17.721 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.835 14.806 1.606 1.00 0.00 H new ATOM 0 HB3 SER A 122 5.020 16.058 1.286 1.00 0.00 H new ATOM 0 HG SER A 122 4.999 15.418 3.517 1.00 0.00 H new ATOM 1447 N ALA A 123 3.120 15.934 -0.974 1.00 0.00 N ATOM 1448 CA ALA A 123 3.278 16.031 -2.420 1.00 0.00 C ATOM 1449 C ALA A 123 2.333 17.074 -3.007 1.00 0.00 C ATOM 1450 O ALA A 123 1.333 17.454 -2.397 1.00 0.00 O ATOM 1451 CB ALA A 123 3.041 14.676 -3.069 1.00 0.00 C ATOM 0 H ALA A 123 2.976 14.985 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 123 4.300 16.347 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.162 14.764 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 123 3.761 13.956 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.030 14.337 -2.844 1.00 0.00 H new ATOM 1457 N PRO A 124 2.655 17.549 -4.220 1.00 0.00 N ATOM 1458 CA PRO A 124 1.847 18.556 -4.915 1.00 0.00 C ATOM 1459 C PRO A 124 0.503 18.000 -5.380 1.00 0.00 C ATOM 1460 O PRO A 124 0.273 16.791 -5.383 1.00 0.00 O ATOM 1461 CB PRO A 124 2.713 18.939 -6.116 1.00 0.00 C ATOM 1462 CG PRO A 124 3.575 17.746 -6.358 1.00 0.00 C ATOM 1463 CD PRO A 124 3.831 17.142 -5.005 1.00 0.00 C ATOM 0 HA PRO A 124 1.598 19.397 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 124 2.101 19.169 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.313 19.825 -5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 124 3.079 17.033 -7.017 1.00 0.00 H new ATOM 0 HG3 PRO A 124 4.509 18.031 -6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 124 3.921 16.057 -5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 124 4.756 17.517 -4.566 1.00 0.00 H new ATOM 1468 N PRO A 125 -0.402 18.902 -5.786 1.00 0.00 N ATOM 1469 CA PRO A 125 -1.736 18.525 -6.262 1.00 0.00 C ATOM 1470 C PRO A 125 -1.691 17.820 -7.613 1.00 0.00 C ATOM 1471 O PRO A 125 -2.703 17.305 -8.088 1.00 0.00 O ATOM 1472 CB PRO A 125 -2.462 19.867 -6.383 1.00 0.00 C ATOM 1473 CG PRO A 125 -1.377 20.868 -6.586 1.00 0.00 C ATOM 1474 CD PRO A 125 -0.195 20.360 -5.809 1.00 0.00 C ATOM 0 HA PRO A 125 -2.225 17.820 -5.590 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -3.160 19.865 -7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.040 20.087 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -1.134 20.971 -7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -1.683 21.852 -6.232 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.746 20.625 -6.291 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -0.166 20.778 -4.803 1.00 0.00 H new ATOM 1479 N GLU A 126 -0.511 17.800 -8.225 1.00 0.00 N ATOM 1480 CA GLU A 126 -0.336 17.157 -9.522 1.00 0.00 C ATOM 1481 C GLU A 126 0.396 15.827 -9.375 1.00 0.00 C ATOM 1482 O GLU A 126 1.116 15.606 -8.402 1.00 0.00 O ATOM 1483 CB GLU A 126 0.437 18.075 -10.472 1.00 0.00 C ATOM 1484 CG GLU A 126 1.690 18.671 -9.854 1.00 0.00 C ATOM 1485 CD GLU A 126 2.653 19.211 -10.894 1.00 0.00 C ATOM 1486 OE1 GLU A 126 2.251 19.332 -12.070 1.00 0.00 O ATOM 1487 OE2 GLU A 126 3.810 19.511 -10.532 1.00 0.00 O ATOM 0 H GLU A 126 0.337 18.221 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 126 -1.324 16.964 -9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 126 0.714 17.512 -11.363 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.218 18.883 -10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.408 19.474 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 126 2.194 17.910 -9.258 1.00 0.00 H new ATOM 1492 N GLU A 127 0.205 14.941 -10.350 1.00 0.00 N ATOM 1493 CA GLU A 127 0.847 13.632 -10.329 1.00 0.00 C ATOM 1494 C GLU A 127 2.364 13.768 -10.411 1.00 0.00 C ATOM 1495 O GLU A 127 2.884 14.583 -11.173 1.00 0.00 O ATOM 1496 CB GLU A 127 0.336 12.771 -11.485 1.00 0.00 C ATOM 1497 CG GLU A 127 0.937 13.140 -12.831 1.00 0.00 C ATOM 1498 CD GLU A 127 0.611 14.562 -13.244 1.00 0.00 C ATOM 1499 OE1 GLU A 127 -0.562 14.967 -13.105 1.00 0.00 O ATOM 1500 OE2 GLU A 127 1.529 15.271 -13.708 1.00 0.00 O ATOM 0 H GLU A 127 -0.389 15.107 -11.163 1.00 0.00 H new ATOM 0 HA GLU A 127 0.595 13.147 -9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.556 11.725 -11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.749 12.863 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.019 13.017 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.568 12.451 -13.591 1.00 0.00 H new ATOM 1505 N ASP A 128 3.068 12.963 -9.623 1.00 0.00 N ATOM 1506 CA ASP A 128 4.526 12.992 -9.607 1.00 0.00 C ATOM 1507 C ASP A 128 5.094 11.604 -9.332 1.00 0.00 C ATOM 1508 O ASP A 128 4.445 10.770 -8.701 1.00 0.00 O ATOM 1509 CB ASP A 128 5.026 13.980 -8.552 1.00 0.00 C ATOM 1510 CG ASP A 128 5.304 15.353 -9.129 1.00 0.00 C ATOM 1511 OD1 ASP A 128 5.744 15.428 -10.295 1.00 0.00 O ATOM 1512 OD2 ASP A 128 5.083 16.354 -8.415 1.00 0.00 O ATOM 0 H ASP A 128 2.653 12.282 -8.987 1.00 0.00 H new ATOM 0 HA ASP A 128 4.869 13.317 -10.589 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.283 14.066 -7.759 1.00 0.00 H new ATOM 0 HB3 ASP A 128 5.936 13.590 -8.096 1.00 0.00 H new ATOM 1516 N CYS A 129 6.309 11.361 -9.812 1.00 0.00 N ATOM 1517 CA CYS A 129 6.966 10.074 -9.620 1.00 0.00 C ATOM 1518 C CYS A 129 8.298 10.244 -8.897 1.00 0.00 C ATOM 1519 O CYS A 129 9.276 10.717 -9.477 1.00 0.00 O ATOM 1520 CB CYS A 129 7.189 9.386 -10.968 1.00 0.00 C ATOM 1521 SG CYS A 129 5.652 8.942 -11.839 1.00 0.00 S ATOM 0 H CYS A 129 6.859 12.040 -10.338 1.00 0.00 H new ATOM 0 HA CYS A 129 6.316 9.452 -9.004 1.00 0.00 H new ATOM 0 HB2 CYS A 129 7.779 10.044 -11.606 1.00 0.00 H new ATOM 0 HB3 CYS A 129 7.778 8.483 -10.810 1.00 0.00 H new ATOM 1525 N THR A 130 8.329 9.856 -7.626 1.00 0.00 N ATOM 1526 CA THR A 130 9.540 9.966 -6.823 1.00 0.00 C ATOM 1527 C THR A 130 9.344 9.347 -5.443 1.00 0.00 C ATOM 1528 O THR A 130 10.039 8.400 -5.073 1.00 0.00 O ATOM 1529 CB THR A 130 9.973 11.436 -6.656 1.00 0.00 C ATOM 1530 OG1 THR A 130 8.907 12.307 -7.049 1.00 0.00 O ATOM 1531 CG2 THR A 130 11.211 11.733 -7.491 1.00 0.00 C ATOM 0 H THR A 130 7.529 9.463 -7.131 1.00 0.00 H new ATOM 0 HA THR A 130 10.321 9.423 -7.355 1.00 0.00 H new ATOM 0 HB THR A 130 10.212 11.605 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.189 13.239 -6.939 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.498 12.776 -7.358 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.029 11.087 -7.171 1.00 0.00 H new ATOM 0 HG23 THR A 130 10.993 11.548 -8.543 1.00 0.00 H new ATOM 1539 N SER A 131 8.395 9.890 -4.687 1.00 0.00 N ATOM 1540 CA SER A 131 8.109 9.392 -3.346 1.00 0.00 C ATOM 1541 C SER A 131 9.307 9.599 -2.423 1.00 0.00 C ATOM 1542 O SER A 131 10.070 8.670 -2.159 1.00 0.00 O ATOM 1543 CB SER A 131 7.741 7.908 -3.397 1.00 0.00 C ATOM 1544 OG SER A 131 6.859 7.638 -4.473 1.00 0.00 O ATOM 0 H SER A 131 7.812 10.674 -4.980 1.00 0.00 H new ATOM 0 HA SER A 131 7.264 9.955 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.645 7.309 -3.505 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.274 7.613 -2.457 1.00 0.00 H new ATOM 0 HG SER A 131 6.640 6.683 -4.485 1.00 0.00 H new ATOM 1549 N VAL A 132 9.464 10.825 -1.935 1.00 0.00 N ATOM 1550 CA VAL A 132 10.567 11.156 -1.040 1.00 0.00 C ATOM 1551 C VAL A 132 10.101 11.210 0.411 1.00 0.00 C ATOM 1552 O VAL A 132 10.744 11.830 1.258 1.00 0.00 O ATOM 1553 CB VAL A 132 11.207 12.507 -1.413 1.00 0.00 C ATOM 1554 CG1 VAL A 132 11.662 12.500 -2.864 1.00 0.00 C ATOM 1555 CG2 VAL A 132 10.231 13.647 -1.158 1.00 0.00 C ATOM 0 H VAL A 132 8.842 11.606 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 132 11.311 10.367 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 132 12.083 12.660 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 132 12.111 13.462 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 132 12.397 11.708 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 132 10.804 12.324 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 132 10.699 14.594 -1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 132 9.335 13.501 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 132 9.959 13.664 -0.103 1.00 0.00 H new ATOM 1565 N THR A 133 8.977 10.556 0.690 1.00 0.00 N ATOM 1566 CA THR A 133 8.425 10.529 2.038 1.00 0.00 C ATOM 1567 C THR A 133 8.387 9.108 2.589 1.00 0.00 C ATOM 1568 O THR A 133 7.828 8.206 1.966 1.00 0.00 O ATOM 1569 CB THR A 133 7.001 11.120 2.073 1.00 0.00 C ATOM 1570 OG1 THR A 133 6.084 10.222 1.441 1.00 0.00 O ATOM 1571 CG2 THR A 133 6.959 12.471 1.376 1.00 0.00 C ATOM 0 H THR A 133 8.432 10.039 0.000 1.00 0.00 H new ATOM 0 HA THR A 133 9.080 11.139 2.660 1.00 0.00 H new ATOM 0 HB THR A 133 6.713 11.258 3.115 1.00 0.00 H new ATOM 0 HG1 THR A 133 6.404 9.301 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 133 5.945 12.868 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 133 7.638 13.161 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 133 7.265 12.354 0.336 1.00 0.00 H new ATOM 1579 N ASP A 134 8.983 8.918 3.760 1.00 0.00 N ATOM 1580 CA ASP A 134 9.016 7.606 4.397 1.00 0.00 C ATOM 1581 C ASP A 134 8.304 7.639 5.746 1.00 0.00 C ATOM 1582 O ASP A 134 7.702 8.646 6.118 1.00 0.00 O ATOM 1583 CB ASP A 134 10.461 7.141 4.581 1.00 0.00 C ATOM 1584 CG ASP A 134 11.232 7.116 3.275 1.00 0.00 C ATOM 1585 OD1 ASP A 134 10.943 6.243 2.432 1.00 0.00 O ATOM 1586 OD2 ASP A 134 12.126 7.971 3.098 1.00 0.00 O ATOM 0 H ASP A 134 9.450 9.655 4.288 1.00 0.00 H new ATOM 0 HA ASP A 134 8.495 6.901 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 134 10.966 7.803 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 134 10.466 6.144 5.021 1.00 0.00 H new ATOM 1590 N LEU A 135 8.375 6.529 6.473 1.00 0.00 N ATOM 1591 CA LEU A 135 7.735 6.429 7.781 1.00 0.00 C ATOM 1592 C LEU A 135 8.104 7.621 8.660 1.00 0.00 C ATOM 1593 O LEU A 135 9.150 8.248 8.490 1.00 0.00 O ATOM 1594 CB LEU A 135 8.142 5.127 8.471 1.00 0.00 C ATOM 1595 CG LEU A 135 7.735 3.835 7.760 1.00 0.00 C ATOM 1596 CD1 LEU A 135 8.865 3.337 6.873 1.00 0.00 C ATOM 1597 CD2 LEU A 135 7.341 2.770 8.773 1.00 0.00 C ATOM 0 H LEU A 135 8.869 5.686 6.179 1.00 0.00 H new ATOM 0 HA LEU A 135 6.655 6.432 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 135 9.225 5.126 8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.710 5.119 9.472 1.00 0.00 H new ATOM 0 HG LEU A 135 6.871 4.046 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 135 8.558 2.417 6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 135 9.101 4.094 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 135 9.747 3.143 7.483 1.00 0.00 H new ATOM 0 HD21 LEU A 135 7.054 1.858 8.249 1.00 0.00 H new ATOM 0 HD22 LEU A 135 8.186 2.561 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.500 3.127 9.367 1.00 0.00 H new ATOM 1608 N PRO A 136 7.226 7.939 9.623 1.00 0.00 N ATOM 1609 CA PRO A 136 7.440 9.056 10.549 1.00 0.00 C ATOM 1610 C PRO A 136 8.572 8.784 11.534 1.00 0.00 C ATOM 1611 O PRO A 136 9.163 9.711 12.086 1.00 0.00 O ATOM 1612 CB PRO A 136 6.103 9.164 11.287 1.00 0.00 C ATOM 1613 CG PRO A 136 5.513 7.799 11.202 1.00 0.00 C ATOM 1614 CD PRO A 136 5.961 7.235 9.882 1.00 0.00 C ATOM 0 HA PRO A 136 7.731 9.968 10.028 1.00 0.00 H new ATOM 0 HB2 PRO A 136 6.246 9.470 12.323 1.00 0.00 H new ATOM 0 HB3 PRO A 136 5.453 9.906 10.823 1.00 0.00 H new ATOM 0 HG2 PRO A 136 5.853 7.175 12.028 1.00 0.00 H new ATOM 0 HG3 PRO A 136 4.425 7.840 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 136 6.105 6.156 9.934 1.00 0.00 H new ATOM 0 HD3 PRO A 136 5.229 7.421 9.096 1.00 0.00 H new ATOM 1708 N THR A 144 7.927 -5.527 4.882 1.00 0.00 N ATOM 1709 CA THR A 144 8.875 -4.892 3.975 1.00 0.00 C ATOM 1710 C THR A 144 8.152 -4.085 2.903 1.00 0.00 C ATOM 1711 O THR A 144 7.047 -4.437 2.488 1.00 0.00 O ATOM 1712 CB THR A 144 9.784 -5.932 3.293 1.00 0.00 C ATOM 1713 OG1 THR A 144 9.038 -7.121 3.006 1.00 0.00 O ATOM 1714 CG2 THR A 144 10.973 -6.275 4.177 1.00 0.00 C ATOM 0 HA THR A 144 9.490 -4.223 4.577 1.00 0.00 H new ATOM 0 HB THR A 144 10.156 -5.502 2.363 1.00 0.00 H new ATOM 0 HG1 THR A 144 8.114 -7.010 3.314 1.00 0.00 H new ATOM 0 HG21 THR A 144 11.600 -7.011 3.674 1.00 0.00 H new ATOM 0 HG22 THR A 144 11.555 -5.374 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 144 10.617 -6.686 5.122 1.00 0.00 H new ATOM 1722 N ILE A 145 8.782 -3.004 2.457 1.00 0.00 N ATOM 1723 CA ILE A 145 8.198 -2.149 1.431 1.00 0.00 C ATOM 1724 C ILE A 145 9.245 -1.728 0.405 1.00 0.00 C ATOM 1725 O ILE A 145 10.421 -1.558 0.734 1.00 0.00 O ATOM 1726 CB ILE A 145 7.562 -0.888 2.044 1.00 0.00 C ATOM 1727 CG1 ILE A 145 8.636 -0.011 2.693 1.00 0.00 C ATOM 1728 CG2 ILE A 145 6.498 -1.274 3.062 1.00 0.00 C ATOM 1729 CD1 ILE A 145 8.783 1.345 2.040 1.00 0.00 C ATOM 0 H ILE A 145 9.697 -2.699 2.790 1.00 0.00 H new ATOM 0 HA ILE A 145 7.422 -2.734 0.937 1.00 0.00 H new ATOM 0 HB ILE A 145 7.086 -0.315 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 145 8.394 0.126 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 145 9.593 -0.531 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 145 6.057 -0.372 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 145 5.722 -1.861 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.953 -1.865 3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 145 9.561 1.912 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.056 1.217 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 145 7.838 1.885 2.105 1.00 0.00 H new ATOM 1740 N THR A 146 8.812 -1.557 -0.840 1.00 0.00 N ATOM 1741 CA THR A 146 9.711 -1.156 -1.914 1.00 0.00 C ATOM 1742 C THR A 146 9.197 0.092 -2.622 1.00 0.00 C ATOM 1743 O THR A 146 8.214 0.037 -3.363 1.00 0.00 O ATOM 1744 CB THR A 146 9.889 -2.282 -2.949 1.00 0.00 C ATOM 1745 OG1 THR A 146 10.569 -1.782 -4.106 1.00 0.00 O ATOM 1746 CG2 THR A 146 8.543 -2.861 -3.355 1.00 0.00 C ATOM 0 H THR A 146 7.843 -1.690 -1.129 1.00 0.00 H new ATOM 0 HA THR A 146 10.676 -0.940 -1.455 1.00 0.00 H new ATOM 0 HB THR A 146 10.484 -3.073 -2.493 1.00 0.00 H new ATOM 0 HG1 THR A 146 10.679 -2.505 -4.758 1.00 0.00 H new ATOM 0 HG21 THR A 146 8.694 -3.655 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 146 8.042 -3.268 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 146 7.927 -2.076 -3.793 1.00 0.00 H new ATOM 1754 N ILE A 147 9.868 1.217 -2.392 1.00 0.00 N ATOM 1755 CA ILE A 147 9.479 2.477 -3.010 1.00 0.00 C ATOM 1756 C ILE A 147 10.129 2.641 -4.380 1.00 0.00 C ATOM 1757 O ILE A 147 11.250 2.187 -4.606 1.00 0.00 O ATOM 1758 CB ILE A 147 9.861 3.679 -2.126 1.00 0.00 C ATOM 1759 CG1 ILE A 147 9.054 4.915 -2.531 1.00 0.00 C ATOM 1760 CG2 ILE A 147 11.352 3.959 -2.228 1.00 0.00 C ATOM 1761 CD1 ILE A 147 7.921 5.235 -1.581 1.00 0.00 C ATOM 0 H ILE A 147 10.683 1.280 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 147 8.395 2.451 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 147 9.626 3.437 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 147 9.723 5.773 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 147 8.647 4.762 -3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 147 11.606 4.811 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 147 11.910 3.083 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 147 11.610 4.184 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 147 7.393 6.122 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 147 7.230 4.393 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 147 8.323 5.421 -0.585 1.00 0.00 H new ATOM 1772 N VAL A 148 9.417 3.297 -5.292 1.00 0.00 N ATOM 1773 CA VAL A 148 9.925 3.524 -6.640 1.00 0.00 C ATOM 1774 C VAL A 148 10.942 4.661 -6.661 1.00 0.00 C ATOM 1775 O VAL A 148 10.684 5.745 -6.137 1.00 0.00 O ATOM 1776 CB VAL A 148 8.784 3.852 -7.621 1.00 0.00 C ATOM 1777 CG1 VAL A 148 7.919 2.625 -7.864 1.00 0.00 C ATOM 1778 CG2 VAL A 148 7.948 5.009 -7.099 1.00 0.00 C ATOM 0 H VAL A 148 8.487 3.680 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 148 10.411 2.601 -6.955 1.00 0.00 H new ATOM 0 HB VAL A 148 9.222 4.152 -8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 148 7.118 2.876 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 148 8.530 1.827 -8.287 1.00 0.00 H new ATOM 0 HG13 VAL A 148 7.488 2.291 -6.920 1.00 0.00 H new ATOM 0 HG21 VAL A 148 7.147 5.227 -7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 148 7.518 4.741 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 148 8.579 5.890 -6.983 1.00 0.00 H new