USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 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 135 HIS : no HE2:sc= -4.27! C(o=-3.1!,f=-7.7!) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= 1.19 F(o=-4.3,f=-3.1) USER MOD Set 2.1: A 142 SER OG : rot -29:sc= 1.38 USER MOD Set 2.2: A 151 THR OG1 : rot -138:sc= 0.649! USER MOD Set 3.1: A 103 TYR OH : rot 79:sc= 0.0665 USER MOD Set 3.2: A 148 GLN : amide:sc= -0.427 K(o=-0.36,f=-7.7!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= -0.0205 (180deg=-0.208) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -9:sc= 1.23 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -10:sc= 0.765 USER MOD Single : A 139 SER OG : rot 171:sc= -0.189 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot -61:sc= 0.2 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -129:sc= 0.489 (180deg=-0.538) USER MOD Single : A 155 HIS : no HD1:sc= -0.538 X(o=-0.54,f=-0.88) USER MOD Single : A 159 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 26.941 6.909 -2.029 1.00 0.00 N ATOM 2 CA GLU A 92 26.298 8.181 -1.606 1.00 0.00 C ATOM 3 C GLU A 92 24.929 8.352 -2.256 1.00 0.00 C ATOM 4 O GLU A 92 23.953 8.694 -1.587 1.00 0.00 O ATOM 5 CB GLU A 92 27.216 9.342 -1.994 1.00 0.00 C ATOM 6 CG GLU A 92 26.644 10.710 -1.654 1.00 0.00 C ATOM 7 CD GLU A 92 27.589 11.842 -2.006 1.00 0.00 C ATOM 8 OE1 GLU A 92 27.953 11.964 -3.195 1.00 0.00 O ATOM 9 OE2 GLU A 92 27.962 12.609 -1.093 1.00 0.00 O ATOM 0 HA GLU A 92 26.147 8.164 -0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 92 28.174 9.222 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.414 9.296 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 92 25.703 10.849 -2.186 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.416 10.750 -0.589 1.00 0.00 H new ATOM 18 N ALA A 93 24.866 8.112 -3.562 1.00 0.00 N ATOM 19 CA ALA A 93 23.619 8.239 -4.308 1.00 0.00 C ATOM 20 C ALA A 93 23.800 7.785 -5.755 1.00 0.00 C ATOM 21 O ALA A 93 24.388 6.734 -6.011 1.00 0.00 O ATOM 22 CB ALA A 93 23.116 9.676 -4.252 1.00 0.00 C ATOM 0 H ALA A 93 25.666 7.828 -4.127 1.00 0.00 H new ATOM 0 HA ALA A 93 22.874 7.592 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.185 9.758 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.941 9.960 -3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 93 23.862 10.340 -4.689 1.00 0.00 H new ATOM 28 N GLU A 94 23.294 8.580 -6.699 1.00 0.00 N ATOM 29 CA GLU A 94 23.404 8.254 -8.117 1.00 0.00 C ATOM 30 C GLU A 94 22.719 6.926 -8.423 1.00 0.00 C ATOM 31 O GLU A 94 23.303 6.049 -9.062 1.00 0.00 O ATOM 32 CB GLU A 94 24.876 8.195 -8.537 1.00 0.00 C ATOM 33 CG GLU A 94 25.647 9.469 -8.235 1.00 0.00 C ATOM 34 CD GLU A 94 27.103 9.381 -8.648 1.00 0.00 C ATOM 35 OE1 GLU A 94 27.814 8.496 -8.128 1.00 0.00 O ATOM 36 OE2 GLU A 94 27.531 10.197 -9.490 1.00 0.00 O ATOM 0 H GLU A 94 22.805 9.454 -6.505 1.00 0.00 H new ATOM 0 HA GLU A 94 22.905 9.039 -8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 94 25.357 7.360 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 94 24.932 7.991 -9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 94 25.176 10.305 -8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 94 25.588 9.680 -7.167 1.00 0.00 H new ATOM 43 N PHE A 95 21.479 6.787 -7.957 1.00 0.00 N ATOM 44 CA PHE A 95 20.702 5.567 -8.169 1.00 0.00 C ATOM 45 C PHE A 95 21.327 4.385 -7.434 1.00 0.00 C ATOM 46 O PHE A 95 22.544 4.199 -7.453 1.00 0.00 O ATOM 47 CB PHE A 95 20.580 5.247 -9.666 1.00 0.00 C ATOM 48 CG PHE A 95 19.743 6.231 -10.439 1.00 0.00 C ATOM 49 CD1 PHE A 95 19.992 7.592 -10.366 1.00 0.00 C ATOM 50 CD2 PHE A 95 18.707 5.787 -11.246 1.00 0.00 C ATOM 51 CE1 PHE A 95 19.223 8.492 -11.081 1.00 0.00 C ATOM 52 CE2 PHE A 95 17.935 6.681 -11.963 1.00 0.00 C ATOM 53 CZ PHE A 95 18.193 8.036 -11.880 1.00 0.00 C ATOM 0 H PHE A 95 20.989 7.508 -7.428 1.00 0.00 H new ATOM 0 HA PHE A 95 19.704 5.739 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 95 21.578 5.214 -10.102 1.00 0.00 H new ATOM 0 HB3 PHE A 95 20.150 4.252 -9.780 1.00 0.00 H new ATOM 0 HD1 PHE A 95 20.796 7.954 -9.743 1.00 0.00 H new ATOM 0 HD2 PHE A 95 18.501 4.729 -11.315 1.00 0.00 H new ATOM 0 HE1 PHE A 95 19.428 9.550 -11.015 1.00 0.00 H new ATOM 0 HE2 PHE A 95 17.131 6.321 -12.588 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.590 8.737 -12.439 1.00 0.00 H new ATOM 63 N VAL A 96 20.483 3.589 -6.784 1.00 0.00 N ATOM 64 CA VAL A 96 20.948 2.425 -6.039 1.00 0.00 C ATOM 65 C VAL A 96 19.770 1.527 -5.656 1.00 0.00 C ATOM 66 O VAL A 96 19.656 1.069 -4.517 1.00 0.00 O ATOM 67 CB VAL A 96 21.729 2.849 -4.774 1.00 0.00 C ATOM 68 CG1 VAL A 96 20.829 3.604 -3.806 1.00 0.00 C ATOM 69 CG2 VAL A 96 22.369 1.644 -4.100 1.00 0.00 C ATOM 0 H VAL A 96 19.473 3.729 -6.759 1.00 0.00 H new ATOM 0 HA VAL A 96 21.623 1.863 -6.684 1.00 0.00 H new ATOM 0 HB VAL A 96 22.528 3.523 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 96 21.402 3.891 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.440 4.498 -4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 96 19.999 2.964 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.912 1.969 -3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.594 0.934 -3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 96 23.060 1.164 -4.793 1.00 0.00 H new ATOM 79 N ARG A 97 18.895 1.279 -6.629 1.00 0.00 N ATOM 80 CA ARG A 97 17.719 0.437 -6.427 1.00 0.00 C ATOM 81 C ARG A 97 16.732 1.082 -5.457 1.00 0.00 C ATOM 82 O ARG A 97 17.115 1.576 -4.397 1.00 0.00 O ATOM 83 CB ARG A 97 18.128 -0.944 -5.906 1.00 0.00 C ATOM 84 CG ARG A 97 19.140 -1.654 -6.788 1.00 0.00 C ATOM 85 CD ARG A 97 19.515 -3.015 -6.223 1.00 0.00 C ATOM 86 NE ARG A 97 20.067 -2.913 -4.874 1.00 0.00 N ATOM 87 CZ ARG A 97 20.487 -3.960 -4.169 1.00 0.00 C ATOM 88 NH1 ARG A 97 20.430 -5.179 -4.688 1.00 0.00 N ATOM 89 NH2 ARG A 97 20.967 -3.786 -2.946 1.00 0.00 N ATOM 0 H ARG A 97 18.981 1.654 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 97 17.227 0.325 -7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.545 -0.836 -4.905 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.238 -1.567 -5.816 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.729 -1.776 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 97 20.035 -1.039 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 97 18.634 -3.656 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 97 20.244 -3.491 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 97 20.134 -1.988 -4.449 1.00 0.00 H new ATOM 0 HH11 ARG A 97 20.063 -5.316 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 97 20.753 -5.980 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 97 21.014 -2.849 -2.545 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.289 -4.589 -2.406 1.00 0.00 H new ATOM 103 N ILE A 98 15.456 1.057 -5.829 1.00 0.00 N ATOM 104 CA ILE A 98 14.396 1.618 -5.004 1.00 0.00 C ATOM 105 C ILE A 98 13.100 0.840 -5.202 1.00 0.00 C ATOM 106 O ILE A 98 12.722 0.523 -6.331 1.00 0.00 O ATOM 107 CB ILE A 98 14.138 3.117 -5.298 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.775 3.338 -6.775 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.344 3.962 -4.906 1.00 0.00 C ATOM 110 CD1 ILE A 98 14.918 3.101 -7.740 1.00 0.00 C ATOM 0 H ILE A 98 15.131 0.650 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 98 14.732 1.534 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 98 13.288 3.434 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.950 2.675 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 98 13.415 4.359 -6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.139 5.011 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.541 3.843 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.216 3.638 -5.475 1.00 0.00 H new ATOM 0 HD11 ILE A 98 14.576 3.279 -8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 98 15.737 3.782 -7.508 1.00 0.00 H new ATOM 0 HD13 ILE A 98 15.265 2.072 -7.648 1.00 0.00 H new ATOM 122 N CYS A 99 12.432 0.523 -4.098 1.00 0.00 N ATOM 123 CA CYS A 99 11.184 -0.233 -4.145 1.00 0.00 C ATOM 124 C CYS A 99 10.171 0.413 -5.084 1.00 0.00 C ATOM 125 O CYS A 99 10.034 1.636 -5.126 1.00 0.00 O ATOM 126 CB CYS A 99 10.594 -0.373 -2.741 1.00 0.00 C ATOM 127 SG CYS A 99 10.487 1.191 -1.816 1.00 0.00 S ATOM 0 H CYS A 99 12.734 0.778 -3.158 1.00 0.00 H new ATOM 0 HA CYS A 99 11.412 -1.225 -4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.596 -0.804 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 99 11.201 -1.077 -2.173 1.00 0.00 H new ATOM 132 N SER A 100 9.472 -0.429 -5.841 1.00 0.00 N ATOM 133 CA SER A 100 8.469 0.029 -6.798 1.00 0.00 C ATOM 134 C SER A 100 7.523 1.048 -6.171 1.00 0.00 C ATOM 135 O SER A 100 6.944 0.804 -5.112 1.00 0.00 O ATOM 136 CB SER A 100 7.668 -1.164 -7.324 1.00 0.00 C ATOM 137 OG SER A 100 8.504 -2.076 -8.016 1.00 0.00 O ATOM 0 H SER A 100 9.584 -1.442 -5.809 1.00 0.00 H new ATOM 0 HA SER A 100 8.990 0.514 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.180 -1.673 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.880 -0.812 -7.990 1.00 0.00 H new ATOM 0 HG SER A 100 7.968 -2.830 -8.340 1.00 0.00 H new ATOM 143 N LYS A 101 7.369 2.190 -6.837 1.00 0.00 N ATOM 144 CA LYS A 101 6.490 3.247 -6.350 1.00 0.00 C ATOM 145 C LYS A 101 5.046 3.001 -6.782 1.00 0.00 C ATOM 146 O LYS A 101 4.165 3.822 -6.529 1.00 0.00 O ATOM 147 CB LYS A 101 6.964 4.612 -6.855 1.00 0.00 C ATOM 148 CG LYS A 101 6.966 4.735 -8.371 1.00 0.00 C ATOM 149 CD LYS A 101 7.415 6.119 -8.819 1.00 0.00 C ATOM 150 CE LYS A 101 8.856 6.399 -8.422 1.00 0.00 C ATOM 151 NZ LYS A 101 9.803 5.445 -9.063 1.00 0.00 N ATOM 0 H LYS A 101 7.842 2.406 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 101 6.528 3.240 -5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.322 5.387 -6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.972 4.798 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.628 3.981 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.966 4.534 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.313 6.202 -9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.763 6.873 -8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.119 7.418 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.953 6.334 -7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.776 5.794 -8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.715 4.512 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 9.580 5.362 -10.075 1.00 0.00 H new ATOM 165 N SER A 102 4.814 1.868 -7.438 1.00 0.00 N ATOM 166 CA SER A 102 3.479 1.513 -7.908 1.00 0.00 C ATOM 167 C SER A 102 2.517 1.334 -6.738 1.00 0.00 C ATOM 168 O SER A 102 1.352 1.726 -6.813 1.00 0.00 O ATOM 169 CB SER A 102 3.532 0.230 -8.741 1.00 0.00 C ATOM 170 OG SER A 102 2.244 -0.123 -9.216 1.00 0.00 O ATOM 0 H SER A 102 5.534 1.179 -7.656 1.00 0.00 H new ATOM 0 HA SER A 102 3.114 2.329 -8.532 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.209 0.368 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.936 -0.583 -8.137 1.00 0.00 H new ATOM 0 HG SER A 102 2.305 -0.945 -9.746 1.00 0.00 H new ATOM 176 N TYR A 103 3.012 0.737 -5.659 1.00 0.00 N ATOM 177 CA TYR A 103 2.201 0.500 -4.468 1.00 0.00 C ATOM 178 C TYR A 103 1.578 1.799 -3.964 1.00 0.00 C ATOM 179 O TYR A 103 0.433 1.814 -3.512 1.00 0.00 O ATOM 180 CB TYR A 103 3.049 -0.138 -3.362 1.00 0.00 C ATOM 181 CG TYR A 103 3.501 -1.554 -3.663 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.017 -1.899 -4.908 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.412 -2.547 -2.695 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.429 -3.190 -5.178 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.822 -3.841 -2.958 1.00 0.00 C ATOM 186 CZ TYR A 103 4.329 -4.157 -4.201 1.00 0.00 C ATOM 187 OH TYR A 103 4.738 -5.444 -4.465 1.00 0.00 O ATOM 0 H TYR A 103 3.974 0.407 -5.584 1.00 0.00 H new ATOM 0 HA TYR A 103 1.398 -0.185 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.928 0.483 -3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.475 -0.141 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.097 -1.145 -5.677 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.016 -2.304 -1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.828 -3.440 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.746 -4.600 -2.194 1.00 0.00 H new ATOM 0 HH TYR A 103 5.714 -5.498 -4.397 1.00 0.00 H new ATOM 197 N LEU A 104 2.340 2.885 -4.044 1.00 0.00 N ATOM 198 CA LEU A 104 1.872 4.192 -3.597 1.00 0.00 C ATOM 199 C LEU A 104 0.555 4.570 -4.271 1.00 0.00 C ATOM 200 O LEU A 104 -0.294 5.227 -3.667 1.00 0.00 O ATOM 201 CB LEU A 104 2.926 5.267 -3.877 1.00 0.00 C ATOM 202 CG LEU A 104 4.213 5.155 -3.052 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.986 3.896 -3.412 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.083 6.386 -3.257 1.00 0.00 C ATOM 0 H LEU A 104 3.290 2.885 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 104 1.703 4.130 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.188 5.229 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.481 6.245 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 104 3.935 5.092 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.894 3.842 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.368 3.020 -3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.251 3.921 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.993 6.291 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.344 6.475 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.536 7.275 -2.942 1.00 0.00 H new ATOM 216 N THR A 105 0.390 4.158 -5.524 1.00 0.00 N ATOM 217 CA THR A 105 -0.825 4.462 -6.273 1.00 0.00 C ATOM 218 C THR A 105 -1.853 3.344 -6.126 1.00 0.00 C ATOM 219 O THR A 105 -1.541 2.171 -6.327 1.00 0.00 O ATOM 220 CB THR A 105 -0.524 4.670 -7.769 1.00 0.00 C ATOM 221 OG1 THR A 105 0.009 3.465 -8.334 1.00 0.00 O ATOM 222 CG2 THR A 105 0.466 5.806 -7.971 1.00 0.00 C ATOM 0 H THR A 105 1.080 3.614 -6.041 1.00 0.00 H new ATOM 0 HA THR A 105 -1.231 5.385 -5.859 1.00 0.00 H new ATOM 0 HB THR A 105 -1.457 4.928 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.193 2.821 -7.618 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.662 5.933 -9.036 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.049 6.728 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 105 1.398 5.573 -7.456 1.00 0.00 H new ATOM 230 N LEU A 106 -3.082 3.719 -5.773 1.00 0.00 N ATOM 231 CA LEU A 106 -4.155 2.745 -5.597 1.00 0.00 C ATOM 232 C LEU A 106 -5.501 3.318 -6.029 1.00 0.00 C ATOM 233 O LEU A 106 -5.858 4.437 -5.661 1.00 0.00 O ATOM 234 CB LEU A 106 -4.235 2.299 -4.133 1.00 0.00 C ATOM 235 CG LEU A 106 -5.363 1.311 -3.814 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.358 0.147 -4.794 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.237 0.806 -2.386 1.00 0.00 C ATOM 0 H LEU A 106 -3.357 4.687 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.927 1.886 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.285 1.843 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.359 3.182 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.314 1.835 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.167 -0.540 -4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.498 0.524 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.405 -0.378 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.045 0.106 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.278 0.302 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.297 1.648 -1.696 1.00 0.00 H new ATOM 249 N GLU A 107 -6.252 2.533 -6.797 1.00 0.00 N ATOM 250 CA GLU A 107 -7.567 2.954 -7.262 1.00 0.00 C ATOM 251 C GLU A 107 -8.579 2.883 -6.124 1.00 0.00 C ATOM 252 O GLU A 107 -8.650 1.884 -5.406 1.00 0.00 O ATOM 253 CB GLU A 107 -8.035 2.092 -8.442 1.00 0.00 C ATOM 254 CG GLU A 107 -8.020 0.594 -8.166 1.00 0.00 C ATOM 255 CD GLU A 107 -6.632 -0.013 -8.263 1.00 0.00 C ATOM 256 OE1 GLU A 107 -5.693 0.705 -8.670 1.00 0.00 O ATOM 257 OE2 GLU A 107 -6.487 -1.213 -7.946 1.00 0.00 O ATOM 0 H GLU A 107 -5.971 1.603 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.491 3.986 -7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.047 2.389 -8.716 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.399 2.298 -9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.422 0.410 -7.170 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.680 0.093 -8.874 1.00 0.00 H new ATOM 264 N ASN A 108 -9.354 3.951 -5.959 1.00 0.00 N ATOM 265 CA ASN A 108 -10.358 4.016 -4.901 1.00 0.00 C ATOM 266 C ASN A 108 -9.717 3.774 -3.536 1.00 0.00 C ATOM 267 O ASN A 108 -10.293 3.109 -2.673 1.00 0.00 O ATOM 268 CB ASN A 108 -11.467 2.990 -5.149 1.00 0.00 C ATOM 269 CG ASN A 108 -12.206 3.239 -6.449 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.786 4.306 -6.652 1.00 0.00 O ATOM 271 ND2 ASN A 108 -12.193 2.252 -7.337 1.00 0.00 N ATOM 0 H ASN A 108 -9.306 4.784 -6.545 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.796 5.014 -4.909 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -11.035 1.989 -5.166 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.175 3.017 -4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.676 2.362 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.700 1.384 -7.128 1.00 0.00 H new ATOM 278 N GLY A 109 -8.521 4.324 -3.347 1.00 0.00 N ATOM 279 CA GLY A 109 -7.822 4.157 -2.088 1.00 0.00 C ATOM 280 C GLY A 109 -6.571 5.002 -1.995 1.00 0.00 C ATOM 281 O GLY A 109 -5.935 5.309 -3.004 1.00 0.00 O ATOM 0 H GLY A 109 -8.025 4.881 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.492 4.417 -1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.556 3.107 -1.962 1.00 0.00 H new ATOM 285 N LYS A 110 -6.223 5.374 -0.772 1.00 0.00 N ATOM 286 CA LYS A 110 -5.041 6.187 -0.516 1.00 0.00 C ATOM 287 C LYS A 110 -3.994 5.377 0.239 1.00 0.00 C ATOM 288 O LYS A 110 -4.330 4.572 1.107 1.00 0.00 O ATOM 289 CB LYS A 110 -5.417 7.434 0.288 1.00 0.00 C ATOM 290 CG LYS A 110 -6.484 8.289 -0.377 1.00 0.00 C ATOM 291 CD LYS A 110 -6.786 9.541 0.432 1.00 0.00 C ATOM 292 CE LYS A 110 -5.578 10.462 0.513 1.00 0.00 C ATOM 293 NZ LYS A 110 -5.868 11.690 1.302 1.00 0.00 N ATOM 0 H LYS A 110 -6.747 5.123 0.066 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.622 6.498 -1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.770 7.128 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.524 8.039 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.153 8.572 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.396 7.704 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -7.621 10.075 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.097 9.258 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.744 9.927 0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.267 10.742 -0.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.020 12.291 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.647 12.214 0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -6.140 11.424 2.270 1.00 0.00 H new ATOM 307 N VAL A 111 -2.727 5.586 -0.098 1.00 0.00 N ATOM 308 CA VAL A 111 -1.645 4.861 0.553 1.00 0.00 C ATOM 309 C VAL A 111 -0.868 5.764 1.506 1.00 0.00 C ATOM 310 O VAL A 111 -0.570 6.916 1.187 1.00 0.00 O ATOM 311 CB VAL A 111 -0.675 4.252 -0.478 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.385 3.417 0.217 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.434 3.417 -1.497 1.00 0.00 C ATOM 0 H VAL A 111 -2.426 6.247 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.105 4.054 1.124 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.178 5.066 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.061 2.995 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.950 4.046 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.094 2.610 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.732 2.995 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.960 2.610 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.155 4.047 -2.019 1.00 0.00 H new ATOM 323 N PHE A 112 -0.544 5.227 2.678 1.00 0.00 N ATOM 324 CA PHE A 112 0.197 5.966 3.694 1.00 0.00 C ATOM 325 C PHE A 112 1.643 5.490 3.744 1.00 0.00 C ATOM 326 O PHE A 112 1.911 4.304 3.589 1.00 0.00 O ATOM 327 CB PHE A 112 -0.456 5.781 5.069 1.00 0.00 C ATOM 328 CG PHE A 112 -1.839 6.365 5.181 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.866 5.923 4.360 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.112 7.351 6.116 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.138 6.455 4.470 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.383 7.886 6.230 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.396 7.437 5.406 1.00 0.00 C ATOM 0 H PHE A 112 -0.786 4.274 2.949 1.00 0.00 H new ATOM 0 HA PHE A 112 0.180 7.024 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.505 4.716 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.181 6.239 5.826 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.670 5.155 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.324 7.706 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.929 6.103 3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.583 8.654 6.963 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.389 7.853 5.493 1.00 0.00 H new ATOM 343 N LEU A 113 2.578 6.413 3.950 1.00 0.00 N ATOM 344 CA LEU A 113 3.989 6.052 4.003 1.00 0.00 C ATOM 345 C LEU A 113 4.840 7.186 4.561 1.00 0.00 C ATOM 346 O LEU A 113 4.507 8.362 4.410 1.00 0.00 O ATOM 347 CB LEU A 113 4.476 5.649 2.608 1.00 0.00 C ATOM 348 CG LEU A 113 4.492 6.765 1.557 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.711 7.659 1.735 1.00 0.00 C ATOM 350 CD2 LEU A 113 4.487 6.169 0.159 1.00 0.00 C ATOM 0 H LEU A 113 2.386 7.406 4.082 1.00 0.00 H new ATOM 0 HA LEU A 113 4.096 5.204 4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.485 5.247 2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.842 4.841 2.242 1.00 0.00 H new ATOM 0 HG LEU A 113 3.596 7.371 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.701 8.443 0.978 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.689 8.111 2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.618 7.064 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.498 6.971 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.369 5.542 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.590 5.565 0.024 1.00 0.00 H new ATOM 362 N THR A 114 5.944 6.819 5.204 1.00 0.00 N ATOM 363 CA THR A 114 6.857 7.791 5.788 1.00 0.00 C ATOM 364 C THR A 114 8.230 7.171 6.022 1.00 0.00 C ATOM 365 O THR A 114 8.340 6.050 6.523 1.00 0.00 O ATOM 366 CB THR A 114 6.319 8.341 7.124 1.00 0.00 C ATOM 367 OG1 THR A 114 5.055 8.981 6.919 1.00 0.00 O ATOM 368 CG2 THR A 114 7.298 9.332 7.738 1.00 0.00 C ATOM 0 H THR A 114 6.228 5.848 5.333 1.00 0.00 H new ATOM 0 HA THR A 114 6.944 8.614 5.078 1.00 0.00 H new ATOM 0 HB THR A 114 6.196 7.503 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.884 9.068 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.895 9.705 8.680 1.00 0.00 H new ATOM 0 HG22 THR A 114 8.251 8.836 7.922 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.450 10.166 7.052 1.00 0.00 H new ATOM 376 N GLY A 115 9.273 7.907 5.652 1.00 0.00 N ATOM 377 CA GLY A 115 10.627 7.415 5.826 1.00 0.00 C ATOM 378 C GLY A 115 11.472 7.585 4.580 1.00 0.00 C ATOM 379 O GLY A 115 11.017 7.306 3.471 1.00 0.00 O ATOM 0 H GLY A 115 9.205 8.835 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.098 7.943 6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.594 6.360 6.098 1.00 0.00 H new ATOM 383 N GLY A 116 12.708 8.039 4.762 1.00 0.00 N ATOM 384 CA GLY A 116 13.603 8.232 3.636 1.00 0.00 C ATOM 385 C GLY A 116 13.165 9.355 2.715 1.00 0.00 C ATOM 386 O GLY A 116 11.973 9.530 2.458 1.00 0.00 O ATOM 0 H GLY A 116 13.106 8.277 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.605 8.445 4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 116 13.665 7.305 3.066 1.00 0.00 H new ATOM 390 N ASP A 117 14.136 10.109 2.209 1.00 0.00 N ATOM 391 CA ASP A 117 13.863 11.217 1.300 1.00 0.00 C ATOM 392 C ASP A 117 14.760 11.109 0.080 1.00 0.00 C ATOM 393 O ASP A 117 14.324 11.312 -1.053 1.00 0.00 O ATOM 394 CB ASP A 117 14.098 12.562 1.992 1.00 0.00 C ATOM 395 CG ASP A 117 13.225 12.764 3.217 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.388 11.884 3.507 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.375 13.809 3.884 1.00 0.00 O ATOM 0 H ASP A 117 15.125 9.971 2.415 1.00 0.00 H new ATOM 0 HA ASP A 117 12.818 11.163 0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.146 12.635 2.284 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.908 13.367 1.282 1.00 0.00 H new ATOM 402 N LEU A 118 16.018 10.780 0.331 1.00 0.00 N ATOM 403 CA LEU A 118 16.996 10.628 -0.729 1.00 0.00 C ATOM 404 C LEU A 118 17.746 9.299 -0.578 1.00 0.00 C ATOM 405 O LEU A 118 18.349 9.025 0.459 1.00 0.00 O ATOM 406 CB LEU A 118 17.952 11.837 -0.739 1.00 0.00 C ATOM 407 CG LEU A 118 19.018 11.924 0.370 1.00 0.00 C ATOM 408 CD1 LEU A 118 18.425 11.597 1.733 1.00 0.00 C ATOM 409 CD2 LEU A 118 20.204 11.019 0.066 1.00 0.00 C ATOM 0 H LEU A 118 16.385 10.613 1.268 1.00 0.00 H new ATOM 0 HA LEU A 118 16.487 10.602 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 118 18.467 11.848 -1.699 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.347 12.742 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 118 19.377 12.953 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 118 19.202 11.667 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 118 17.628 12.304 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 118 18.020 10.585 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 118 20.939 11.102 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 118 19.864 9.986 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 118 20.659 11.320 -0.878 1.00 0.00 H new ATOM 421 N PRO A 119 17.712 8.444 -1.618 1.00 0.00 N ATOM 422 CA PRO A 119 17.002 8.726 -2.867 1.00 0.00 C ATOM 423 C PRO A 119 15.506 8.428 -2.765 1.00 0.00 C ATOM 424 O PRO A 119 14.883 8.010 -3.743 1.00 0.00 O ATOM 425 CB PRO A 119 17.673 7.776 -3.854 1.00 0.00 C ATOM 426 CG PRO A 119 18.055 6.595 -3.027 1.00 0.00 C ATOM 427 CD PRO A 119 18.373 7.125 -1.650 1.00 0.00 C ATOM 0 HA PRO A 119 17.058 9.777 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 119 16.995 7.495 -4.659 1.00 0.00 H new ATOM 0 HB3 PRO A 119 18.546 8.236 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 119 17.242 5.870 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.917 6.083 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.990 6.467 -0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.448 7.213 -1.494 1.00 0.00 H new ATOM 435 N ALA A 120 14.936 8.645 -1.577 1.00 0.00 N ATOM 436 CA ALA A 120 13.516 8.403 -1.340 1.00 0.00 C ATOM 437 C ALA A 120 13.186 6.918 -1.432 1.00 0.00 C ATOM 438 O ALA A 120 13.809 6.178 -2.195 1.00 0.00 O ATOM 439 CB ALA A 120 12.665 9.210 -2.308 1.00 0.00 C ATOM 0 H ALA A 120 15.442 8.990 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 120 13.284 8.731 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.610 9.015 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 120 12.869 10.272 -2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 120 12.905 8.922 -3.331 1.00 0.00 H new ATOM 445 N LEU A 121 12.218 6.487 -0.629 1.00 0.00 N ATOM 446 CA LEU A 121 11.814 5.085 -0.594 1.00 0.00 C ATOM 447 C LEU A 121 12.979 4.218 -0.132 1.00 0.00 C ATOM 448 O LEU A 121 13.152 3.090 -0.592 1.00 0.00 O ATOM 449 CB LEU A 121 11.319 4.617 -1.969 1.00 0.00 C ATOM 450 CG LEU A 121 9.984 5.212 -2.431 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.104 6.714 -2.646 1.00 0.00 C ATOM 452 CD2 LEU A 121 9.516 4.532 -3.709 1.00 0.00 C ATOM 0 H LEU A 121 11.697 7.090 0.008 1.00 0.00 H new ATOM 0 HA LEU A 121 10.990 4.986 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.080 4.859 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.225 3.531 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 121 9.245 5.037 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.144 7.113 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.396 7.193 -1.712 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.858 6.913 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 121 8.567 4.965 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.260 4.678 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.385 3.465 -3.527 1.00 0.00 H new ATOM 464 N ASP A 122 13.776 4.767 0.780 1.00 0.00 N ATOM 465 CA ASP A 122 14.934 4.065 1.324 1.00 0.00 C ATOM 466 C ASP A 122 14.507 3.001 2.338 1.00 0.00 C ATOM 467 O ASP A 122 15.016 2.955 3.458 1.00 0.00 O ATOM 468 CB ASP A 122 15.895 5.064 1.972 1.00 0.00 C ATOM 469 CG ASP A 122 17.172 4.410 2.463 1.00 0.00 C ATOM 470 OD1 ASP A 122 17.898 3.827 1.630 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.447 4.481 3.679 1.00 0.00 O ATOM 0 H ASP A 122 13.639 5.704 1.160 1.00 0.00 H new ATOM 0 HA ASP A 122 15.445 3.561 0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.144 5.843 1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.396 5.552 2.809 1.00 0.00 H new ATOM 476 N GLY A 123 13.565 2.151 1.940 1.00 0.00 N ATOM 477 CA GLY A 123 13.086 1.104 2.824 1.00 0.00 C ATOM 478 C GLY A 123 12.238 1.644 3.960 1.00 0.00 C ATOM 479 O GLY A 123 12.375 1.210 5.105 1.00 0.00 O ATOM 0 H GLY A 123 13.125 2.169 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 123 12.502 0.386 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.938 0.563 3.236 1.00 0.00 H new ATOM 483 N ALA A 124 11.361 2.591 3.644 1.00 0.00 N ATOM 484 CA ALA A 124 10.487 3.191 4.645 1.00 0.00 C ATOM 485 C ALA A 124 9.324 2.267 4.991 1.00 0.00 C ATOM 486 O ALA A 124 9.350 1.074 4.687 1.00 0.00 O ATOM 487 CB ALA A 124 9.965 4.529 4.147 1.00 0.00 C ATOM 0 H ALA A 124 11.237 2.960 2.701 1.00 0.00 H new ATOM 0 HA ALA A 124 11.071 3.349 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.313 4.969 4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.804 5.199 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.403 4.380 3.225 1.00 0.00 H new ATOM 493 N ARG A 125 8.300 2.834 5.621 1.00 0.00 N ATOM 494 CA ARG A 125 7.114 2.073 6.004 1.00 0.00 C ATOM 495 C ARG A 125 5.905 2.528 5.194 1.00 0.00 C ATOM 496 O ARG A 125 5.791 3.704 4.848 1.00 0.00 O ATOM 497 CB ARG A 125 6.831 2.235 7.499 1.00 0.00 C ATOM 498 CG ARG A 125 7.956 1.735 8.390 1.00 0.00 C ATOM 499 CD ARG A 125 7.611 1.890 9.863 1.00 0.00 C ATOM 500 NE ARG A 125 8.693 1.430 10.729 1.00 0.00 N ATOM 501 CZ ARG A 125 8.638 1.456 12.058 1.00 0.00 C ATOM 502 NH1 ARG A 125 7.558 1.919 12.672 1.00 0.00 N ATOM 503 NH2 ARG A 125 9.664 1.017 12.774 1.00 0.00 N ATOM 0 H ARG A 125 8.267 3.821 5.878 1.00 0.00 H new ATOM 0 HA ARG A 125 7.303 1.020 5.795 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.650 3.288 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.916 1.697 7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 125 8.157 0.686 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.869 2.287 8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.396 2.937 10.077 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.705 1.326 10.084 1.00 0.00 H new ATOM 0 HE ARG A 125 9.539 1.068 10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.766 2.257 12.125 1.00 0.00 H new ATOM 0 HH12 ARG A 125 7.519 1.937 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 125 10.497 0.659 12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.621 1.037 13.793 1.00 0.00 H new ATOM 517 N VAL A 126 5.006 1.598 4.887 1.00 0.00 N ATOM 518 CA VAL A 126 3.819 1.929 4.110 1.00 0.00 C ATOM 519 C VAL A 126 2.593 1.166 4.612 1.00 0.00 C ATOM 520 O VAL A 126 2.670 -0.020 4.936 1.00 0.00 O ATOM 521 CB VAL A 126 4.029 1.631 2.609 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.001 0.136 2.341 1.00 0.00 C ATOM 523 CG2 VAL A 126 2.975 2.331 1.771 1.00 0.00 C ATOM 0 H VAL A 126 5.076 0.618 5.162 1.00 0.00 H new ATOM 0 HA VAL A 126 3.646 2.998 4.238 1.00 0.00 H new ATOM 0 HB VAL A 126 5.011 2.013 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.151 -0.046 1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.795 -0.350 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.037 -0.270 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.141 2.108 0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.985 1.981 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.041 3.408 1.929 1.00 0.00 H new ATOM 533 N GLU A 127 1.464 1.864 4.673 1.00 0.00 N ATOM 534 CA GLU A 127 0.213 1.273 5.130 1.00 0.00 C ATOM 535 C GLU A 127 -0.920 1.621 4.171 1.00 0.00 C ATOM 536 O GLU A 127 -1.331 2.778 4.073 1.00 0.00 O ATOM 537 CB GLU A 127 -0.123 1.768 6.538 1.00 0.00 C ATOM 538 CG GLU A 127 0.871 1.315 7.595 1.00 0.00 C ATOM 539 CD GLU A 127 0.485 1.766 8.990 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.372 2.990 9.208 1.00 0.00 O ATOM 541 OE2 GLU A 127 0.297 0.894 9.865 1.00 0.00 O ATOM 0 H GLU A 127 1.391 2.847 4.409 1.00 0.00 H new ATOM 0 HA GLU A 127 0.331 0.190 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.163 2.857 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.117 1.414 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.945 0.228 7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.859 1.706 7.351 1.00 0.00 H new ATOM 548 N PHE A 128 -1.419 0.613 3.466 1.00 0.00 N ATOM 549 CA PHE A 128 -2.503 0.806 2.511 1.00 0.00 C ATOM 550 C PHE A 128 -3.809 1.139 3.220 1.00 0.00 C ATOM 551 O PHE A 128 -4.012 0.768 4.376 1.00 0.00 O ATOM 552 CB PHE A 128 -2.682 -0.440 1.638 1.00 0.00 C ATOM 553 CG PHE A 128 -1.508 -0.728 0.744 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.247 -0.945 1.277 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.668 -0.777 -0.632 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.832 -1.207 0.455 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.592 -1.038 -1.458 1.00 0.00 C ATOM 558 CZ PHE A 128 0.660 -1.253 -0.914 1.00 0.00 C ATOM 0 H PHE A 128 -1.089 -0.349 3.538 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.236 1.648 1.873 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.856 -1.302 2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.573 -0.316 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.106 -0.909 2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.644 -0.609 -1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.809 -1.376 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.729 -1.074 -2.529 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.502 -1.457 -1.559 1.00 0.00 H new ATOM 568 N ARG A 129 -4.691 1.842 2.518 1.00 0.00 N ATOM 569 CA ARG A 129 -5.981 2.229 3.074 1.00 0.00 C ATOM 570 C ARG A 129 -6.964 2.587 1.965 1.00 0.00 C ATOM 571 O ARG A 129 -6.652 3.378 1.076 1.00 0.00 O ATOM 572 CB ARG A 129 -5.812 3.418 4.025 1.00 0.00 C ATOM 573 CG ARG A 129 -7.124 3.952 4.580 1.00 0.00 C ATOM 574 CD ARG A 129 -7.858 2.903 5.399 1.00 0.00 C ATOM 575 NE ARG A 129 -7.104 2.499 6.583 1.00 0.00 N ATOM 576 CZ ARG A 129 -6.828 3.313 7.598 1.00 0.00 C ATOM 577 NH1 ARG A 129 -7.261 4.567 7.587 1.00 0.00 N ATOM 578 NH2 ARG A 129 -6.123 2.870 8.631 1.00 0.00 N ATOM 0 H ARG A 129 -4.535 2.156 1.560 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.380 1.381 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.172 3.119 4.855 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.297 4.222 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.927 4.826 5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.759 4.282 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.827 3.296 5.705 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -8.050 2.029 4.777 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.770 1.537 6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -7.808 4.911 6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.047 5.187 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -5.793 1.905 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -5.911 3.494 9.409 1.00 0.00 H new ATOM 592 N CYS A 130 -8.152 1.995 2.023 1.00 0.00 N ATOM 593 CA CYS A 130 -9.184 2.249 1.021 1.00 0.00 C ATOM 594 C CYS A 130 -10.053 3.436 1.429 1.00 0.00 C ATOM 595 O CYS A 130 -10.334 3.633 2.611 1.00 0.00 O ATOM 596 CB CYS A 130 -10.052 1.004 0.834 1.00 0.00 C ATOM 597 SG CYS A 130 -9.111 -0.511 0.458 1.00 0.00 S ATOM 0 H CYS A 130 -8.425 1.336 2.752 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.695 2.488 0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -10.635 0.841 1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.762 1.187 0.028 1.00 0.00 H new ATOM 602 N ASP A 131 -10.474 4.229 0.443 1.00 0.00 N ATOM 603 CA ASP A 131 -11.310 5.400 0.703 1.00 0.00 C ATOM 604 C ASP A 131 -12.546 5.024 1.520 1.00 0.00 C ATOM 605 O ASP A 131 -13.025 3.896 1.443 1.00 0.00 O ATOM 606 CB ASP A 131 -11.733 6.065 -0.609 1.00 0.00 C ATOM 607 CG ASP A 131 -10.560 6.671 -1.355 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.861 7.525 -0.769 1.00 0.00 O ATOM 609 OD2 ASP A 131 -10.344 6.298 -2.527 1.00 0.00 O ATOM 0 H ASP A 131 -10.250 4.082 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.717 6.108 1.282 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.223 5.328 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.467 6.843 -0.399 1.00 0.00 H new ATOM 614 N PRO A 132 -13.064 5.973 2.327 1.00 0.00 N ATOM 615 CA PRO A 132 -14.244 5.751 3.180 1.00 0.00 C ATOM 616 C PRO A 132 -15.452 5.223 2.407 1.00 0.00 C ATOM 617 O PRO A 132 -16.390 5.966 2.117 1.00 0.00 O ATOM 618 CB PRO A 132 -14.541 7.142 3.746 1.00 0.00 C ATOM 619 CG PRO A 132 -13.237 7.856 3.701 1.00 0.00 C ATOM 620 CD PRO A 132 -12.529 7.341 2.480 1.00 0.00 C ATOM 0 HA PRO A 132 -14.049 4.993 3.939 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.295 7.658 3.152 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.924 7.081 4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -13.384 8.934 3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -12.654 7.662 4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.739 7.955 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -11.447 7.337 2.614 1.00 0.00 H new ATOM 628 N ASP A 133 -15.418 3.932 2.090 1.00 0.00 N ATOM 629 CA ASP A 133 -16.497 3.277 1.361 1.00 0.00 C ATOM 630 C ASP A 133 -16.135 1.819 1.105 1.00 0.00 C ATOM 631 O ASP A 133 -16.981 0.929 1.193 1.00 0.00 O ATOM 632 CB ASP A 133 -16.775 3.989 0.036 1.00 0.00 C ATOM 633 CG ASP A 133 -18.004 3.442 -0.665 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.100 3.494 -0.067 1.00 0.00 O ATOM 635 OD2 ASP A 133 -17.873 2.965 -1.810 1.00 0.00 O ATOM 0 H ASP A 133 -14.644 3.313 2.331 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.401 3.325 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -16.909 5.055 0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.910 3.885 -0.618 1.00 0.00 H new ATOM 640 N PHE A 134 -14.861 1.586 0.805 1.00 0.00 N ATOM 641 CA PHE A 134 -14.360 0.241 0.551 1.00 0.00 C ATOM 642 C PHE A 134 -13.484 -0.212 1.714 1.00 0.00 C ATOM 643 O PHE A 134 -12.737 0.585 2.282 1.00 0.00 O ATOM 644 CB PHE A 134 -13.542 0.193 -0.746 1.00 0.00 C ATOM 645 CG PHE A 134 -14.295 0.619 -1.976 1.00 0.00 C ATOM 646 CD1 PHE A 134 -14.726 1.926 -2.129 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.566 -0.294 -2.984 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.413 2.317 -3.264 1.00 0.00 C ATOM 649 CE2 PHE A 134 -15.253 0.091 -4.119 1.00 0.00 C ATOM 650 CZ PHE A 134 -15.677 1.397 -4.259 1.00 0.00 C ATOM 0 H PHE A 134 -14.153 2.317 0.732 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.216 -0.425 0.448 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.667 0.832 -0.632 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.177 -0.824 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.523 2.649 -1.353 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.236 -1.317 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -15.742 3.340 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -15.458 -0.630 -4.897 1.00 0.00 H new ATOM 0 HZ PHE A 134 -16.215 1.699 -5.146 1.00 0.00 H new ATOM 660 N HIS A 135 -13.572 -1.490 2.069 1.00 0.00 N ATOM 661 CA HIS A 135 -12.773 -2.019 3.168 1.00 0.00 C ATOM 662 C HIS A 135 -11.557 -2.779 2.646 1.00 0.00 C ATOM 663 O HIS A 135 -11.663 -3.602 1.734 1.00 0.00 O ATOM 664 CB HIS A 135 -13.616 -2.919 4.083 1.00 0.00 C ATOM 665 CG HIS A 135 -14.285 -4.073 3.395 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.982 -5.047 4.079 1.00 0.00 N ATOM 667 CD2 HIS A 135 -14.373 -4.403 2.085 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.469 -5.924 3.219 1.00 0.00 C ATOM 669 NE2 HIS A 135 -15.114 -5.556 2.002 1.00 0.00 N ATOM 0 H HIS A 135 -14.182 -2.172 1.617 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.420 -1.171 3.755 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.976 -3.309 4.874 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.381 -2.309 4.563 1.00 0.00 H new ATOM 0 HD1 HIS A 135 -15.103 -5.084 5.091 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.940 -3.860 1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.058 -6.794 3.469 1.00 0.00 H new ATOM 678 N LEU A 136 -10.399 -2.483 3.227 1.00 0.00 N ATOM 679 CA LEU A 136 -9.154 -3.126 2.829 1.00 0.00 C ATOM 680 C LEU A 136 -9.084 -4.536 3.409 1.00 0.00 C ATOM 681 O LEU A 136 -9.219 -4.726 4.618 1.00 0.00 O ATOM 682 CB LEU A 136 -7.965 -2.284 3.305 1.00 0.00 C ATOM 683 CG LEU A 136 -6.624 -2.577 2.625 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.582 -1.560 3.058 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.148 -3.983 2.943 1.00 0.00 C ATOM 0 H LEU A 136 -10.298 -1.800 3.977 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.117 -3.201 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.205 -1.232 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.846 -2.432 4.378 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.767 -2.502 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.634 -1.779 2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.912 -0.559 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.452 -1.610 4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.194 -4.165 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -6.024 -4.090 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.884 -4.705 2.589 1.00 0.00 H new ATOM 697 N VAL A 137 -8.889 -5.525 2.540 1.00 0.00 N ATOM 698 CA VAL A 137 -8.820 -6.918 2.972 1.00 0.00 C ATOM 699 C VAL A 137 -7.653 -7.654 2.314 1.00 0.00 C ATOM 700 O VAL A 137 -7.857 -8.617 1.575 1.00 0.00 O ATOM 701 CB VAL A 137 -10.131 -7.663 2.645 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.138 -9.048 3.277 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.337 -6.857 3.101 1.00 0.00 C ATOM 0 H VAL A 137 -8.776 -5.388 1.536 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.666 -6.906 4.051 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.192 -7.783 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.072 -9.555 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.299 -9.628 2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.048 -8.955 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.250 -7.401 2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.282 -6.698 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.344 -5.893 2.592 1.00 0.00 H new ATOM 713 N GLY A 138 -6.428 -7.204 2.575 1.00 0.00 N ATOM 714 CA GLY A 138 -5.275 -7.857 1.979 1.00 0.00 C ATOM 715 C GLY A 138 -3.964 -7.454 2.622 1.00 0.00 C ATOM 716 O GLY A 138 -3.847 -7.433 3.846 1.00 0.00 O ATOM 0 H GLY A 138 -6.215 -6.411 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.395 -8.937 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.240 -7.619 0.916 1.00 0.00 H new ATOM 720 N SER A 139 -2.975 -7.145 1.786 1.00 0.00 N ATOM 721 CA SER A 139 -1.659 -6.745 2.253 1.00 0.00 C ATOM 722 C SER A 139 -1.682 -5.320 2.797 1.00 0.00 C ATOM 723 O SER A 139 -0.917 -4.463 2.354 1.00 0.00 O ATOM 724 CB SER A 139 -0.657 -6.854 1.107 1.00 0.00 C ATOM 725 OG SER A 139 -0.557 -8.188 0.639 1.00 0.00 O ATOM 0 H SER A 139 -3.067 -7.166 0.770 1.00 0.00 H new ATOM 0 HA SER A 139 -1.360 -7.410 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.963 -6.201 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.321 -6.509 1.442 1.00 0.00 H new ATOM 0 HG SER A 139 -0.028 -8.206 -0.186 1.00 0.00 H new ATOM 731 N SER A 140 -2.570 -5.074 3.755 1.00 0.00 N ATOM 732 CA SER A 140 -2.706 -3.757 4.362 1.00 0.00 C ATOM 733 C SER A 140 -1.354 -3.232 4.836 1.00 0.00 C ATOM 734 O SER A 140 -1.028 -2.063 4.634 1.00 0.00 O ATOM 735 CB SER A 140 -3.690 -3.820 5.530 1.00 0.00 C ATOM 736 OG SER A 140 -3.883 -2.540 6.107 1.00 0.00 O ATOM 0 H SER A 140 -3.209 -5.775 4.129 1.00 0.00 H new ATOM 0 HA SER A 140 -3.090 -3.069 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.646 -4.213 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.317 -4.510 6.287 1.00 0.00 H new ATOM 0 HG SER A 140 -4.518 -2.609 6.850 1.00 0.00 H new ATOM 742 N ARG A 141 -0.567 -4.105 5.461 1.00 0.00 N ATOM 743 CA ARG A 141 0.752 -3.723 5.956 1.00 0.00 C ATOM 744 C ARG A 141 1.847 -4.169 4.986 1.00 0.00 C ATOM 745 O ARG A 141 1.872 -5.318 4.550 1.00 0.00 O ATOM 746 CB ARG A 141 0.996 -4.324 7.343 1.00 0.00 C ATOM 747 CG ARG A 141 2.336 -3.937 7.948 1.00 0.00 C ATOM 748 CD ARG A 141 2.497 -4.495 9.355 1.00 0.00 C ATOM 749 NE ARG A 141 3.794 -4.156 9.938 1.00 0.00 N ATOM 750 CZ ARG A 141 4.200 -2.912 10.178 1.00 0.00 C ATOM 751 NH1 ARG A 141 3.408 -1.882 9.904 1.00 0.00 N ATOM 752 NH2 ARG A 141 5.400 -2.695 10.699 1.00 0.00 N ATOM 0 H ARG A 141 -0.819 -5.078 5.636 1.00 0.00 H new ATOM 0 HA ARG A 141 0.784 -2.636 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.198 -4.004 8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.938 -5.410 7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 141 3.142 -4.307 7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 141 2.424 -2.851 7.974 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.702 -4.107 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 141 2.384 -5.579 9.329 1.00 0.00 H new ATOM 0 HE ARG A 141 4.427 -4.920 10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 141 2.482 -2.042 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 141 3.725 -0.931 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 141 6.012 -3.482 10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 141 5.711 -1.741 10.883 1.00 0.00 H new ATOM 766 N SER A 142 2.745 -3.246 4.658 1.00 0.00 N ATOM 767 CA SER A 142 3.850 -3.522 3.740 1.00 0.00 C ATOM 768 C SER A 142 5.046 -2.641 4.085 1.00 0.00 C ATOM 769 O SER A 142 4.881 -1.561 4.653 1.00 0.00 O ATOM 770 CB SER A 142 3.415 -3.270 2.295 1.00 0.00 C ATOM 771 OG SER A 142 2.310 -4.084 1.944 1.00 0.00 O ATOM 0 H SER A 142 2.730 -2.291 5.017 1.00 0.00 H new ATOM 0 HA SER A 142 4.137 -4.569 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.151 -2.220 2.170 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.248 -3.472 1.621 1.00 0.00 H new ATOM 0 HG SER A 142 2.334 -4.912 2.468 1.00 0.00 H new ATOM 777 N VAL A 143 6.251 -3.099 3.756 1.00 0.00 N ATOM 778 CA VAL A 143 7.450 -2.325 4.057 1.00 0.00 C ATOM 779 C VAL A 143 8.451 -2.350 2.905 1.00 0.00 C ATOM 780 O VAL A 143 8.744 -3.403 2.338 1.00 0.00 O ATOM 781 CB VAL A 143 8.146 -2.834 5.336 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.637 -4.263 5.151 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.296 -1.915 5.718 1.00 0.00 C ATOM 0 H VAL A 143 6.422 -3.989 3.288 1.00 0.00 H new ATOM 0 HA VAL A 143 7.117 -1.299 4.211 1.00 0.00 H new ATOM 0 HB VAL A 143 7.418 -2.829 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.125 -4.601 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.790 -4.913 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.348 -4.299 4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.776 -2.289 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.023 -1.886 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 143 8.914 -0.910 5.899 1.00 0.00 H new ATOM 793 N CYS A 144 8.978 -1.174 2.580 1.00 0.00 N ATOM 794 CA CYS A 144 9.962 -1.034 1.513 1.00 0.00 C ATOM 795 C CYS A 144 11.317 -1.570 1.963 1.00 0.00 C ATOM 796 O CYS A 144 11.627 -1.569 3.154 1.00 0.00 O ATOM 797 CB CYS A 144 10.085 0.434 1.099 1.00 0.00 C ATOM 798 SG CYS A 144 11.438 0.774 -0.074 1.00 0.00 S ATOM 0 H CYS A 144 8.738 -0.298 3.044 1.00 0.00 H new ATOM 0 HA CYS A 144 9.628 -1.616 0.654 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.144 0.753 0.651 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.234 1.040 1.993 1.00 0.00 H new ATOM 803 N SER A 145 12.121 -2.030 1.010 1.00 0.00 N ATOM 804 CA SER A 145 13.439 -2.569 1.324 1.00 0.00 C ATOM 805 C SER A 145 14.372 -2.475 0.116 1.00 0.00 C ATOM 806 O SER A 145 14.418 -1.446 -0.559 1.00 0.00 O ATOM 807 CB SER A 145 13.312 -4.020 1.793 1.00 0.00 C ATOM 808 OG SER A 145 12.768 -4.840 0.774 1.00 0.00 O ATOM 0 H SER A 145 11.884 -2.040 0.018 1.00 0.00 H new ATOM 0 HA SER A 145 13.872 -1.974 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 145 14.292 -4.398 2.084 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.677 -4.065 2.678 1.00 0.00 H new ATOM 0 HG SER A 145 11.869 -4.524 0.544 1.00 0.00 H new ATOM 814 N GLN A 146 15.118 -3.546 -0.149 1.00 0.00 N ATOM 815 CA GLN A 146 16.050 -3.572 -1.273 1.00 0.00 C ATOM 816 C GLN A 146 15.346 -3.200 -2.574 1.00 0.00 C ATOM 817 O GLN A 146 15.903 -2.495 -3.414 1.00 0.00 O ATOM 818 CB GLN A 146 16.688 -4.957 -1.400 1.00 0.00 C ATOM 819 CG GLN A 146 17.403 -5.415 -0.139 1.00 0.00 C ATOM 820 CD GLN A 146 18.087 -6.757 -0.311 1.00 0.00 C ATOM 821 OE1 GLN A 146 17.445 -7.757 -0.633 1.00 0.00 O ATOM 822 NE2 GLN A 146 19.396 -6.785 -0.094 1.00 0.00 N ATOM 0 H GLN A 146 15.095 -4.406 0.399 1.00 0.00 H new ATOM 0 HA GLN A 146 16.831 -2.836 -1.083 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.915 -5.682 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 146 17.398 -4.946 -2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 146 18.144 -4.668 0.146 1.00 0.00 H new ATOM 0 HG3 GLN A 146 16.685 -5.480 0.678 1.00 0.00 H new ATOM 0 HE21 GLN A 146 19.887 -5.931 0.171 1.00 0.00 H new ATOM 0 HE22 GLN A 146 19.911 -7.660 -0.192 1.00 0.00 H new ATOM 831 N GLY A 147 14.114 -3.675 -2.728 1.00 0.00 N ATOM 832 CA GLY A 147 13.346 -3.381 -3.921 1.00 0.00 C ATOM 833 C GLY A 147 11.925 -3.899 -3.827 1.00 0.00 C ATOM 834 O GLY A 147 10.971 -3.168 -4.089 1.00 0.00 O ATOM 0 H GLY A 147 13.634 -4.260 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.328 -2.303 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 147 13.837 -3.826 -4.786 1.00 0.00 H new ATOM 838 N GLN A 148 11.783 -5.160 -3.439 1.00 0.00 N ATOM 839 CA GLN A 148 10.467 -5.769 -3.295 1.00 0.00 C ATOM 840 C GLN A 148 9.887 -5.460 -1.918 1.00 0.00 C ATOM 841 O GLN A 148 10.610 -5.434 -0.922 1.00 0.00 O ATOM 842 CB GLN A 148 10.548 -7.283 -3.505 1.00 0.00 C ATOM 843 CG GLN A 148 9.215 -7.998 -3.330 1.00 0.00 C ATOM 844 CD GLN A 148 8.166 -7.542 -4.327 1.00 0.00 C ATOM 845 OE1 GLN A 148 7.803 -6.366 -4.374 1.00 0.00 O ATOM 846 NE2 GLN A 148 7.667 -8.475 -5.129 1.00 0.00 N ATOM 0 H GLN A 148 12.562 -5.780 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 148 9.810 -5.348 -4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 148 10.928 -7.482 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.269 -7.700 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.368 -9.072 -3.436 1.00 0.00 H new ATOM 0 HG3 GLN A 148 8.847 -7.827 -2.319 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.995 -9.438 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 148 6.955 -8.229 -5.817 1.00 0.00 H new ATOM 855 N TRP A 149 8.581 -5.226 -1.867 1.00 0.00 N ATOM 856 CA TRP A 149 7.912 -4.920 -0.608 1.00 0.00 C ATOM 857 C TRP A 149 7.555 -6.205 0.133 1.00 0.00 C ATOM 858 O TRP A 149 7.344 -7.247 -0.488 1.00 0.00 O ATOM 859 CB TRP A 149 6.652 -4.087 -0.856 1.00 0.00 C ATOM 860 CG TRP A 149 6.908 -2.812 -1.605 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.248 -2.684 -2.924 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.857 -1.482 -1.074 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.398 -1.357 -3.244 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.166 -0.600 -2.127 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.575 -0.951 0.187 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.201 0.782 -1.956 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.612 0.420 0.356 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.922 1.274 -0.710 1.00 0.00 C ATOM 0 H TRP A 149 7.966 -5.242 -2.680 1.00 0.00 H new ATOM 0 HA TRP A 149 8.597 -4.339 0.010 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.934 -4.688 -1.414 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.191 -3.848 0.102 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.379 -3.506 -3.612 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.643 -0.994 -4.165 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.332 -1.600 1.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.440 1.441 -2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.398 0.841 1.327 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.941 2.341 -0.545 1.00 0.00 H new ATOM 879 N SER A 150 7.505 -6.127 1.463 1.00 0.00 N ATOM 880 CA SER A 150 7.189 -7.291 2.289 1.00 0.00 C ATOM 881 C SER A 150 6.004 -8.063 1.722 1.00 0.00 C ATOM 882 O SER A 150 6.113 -9.254 1.425 1.00 0.00 O ATOM 883 CB SER A 150 6.883 -6.856 3.724 1.00 0.00 C ATOM 884 OG SER A 150 6.565 -7.971 4.539 1.00 0.00 O ATOM 0 H SER A 150 7.679 -5.271 1.990 1.00 0.00 H new ATOM 0 HA SER A 150 8.060 -7.947 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 150 7.744 -6.332 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.050 -6.152 3.724 1.00 0.00 H new ATOM 0 HG SER A 150 6.375 -7.666 5.451 1.00 0.00 H new ATOM 890 N THR A 151 4.875 -7.382 1.564 1.00 0.00 N ATOM 891 CA THR A 151 3.677 -8.011 1.021 1.00 0.00 C ATOM 892 C THR A 151 3.210 -7.295 -0.242 1.00 0.00 C ATOM 893 O THR A 151 3.347 -6.077 -0.358 1.00 0.00 O ATOM 894 CB THR A 151 2.531 -8.031 2.046 1.00 0.00 C ATOM 895 OG1 THR A 151 2.210 -6.696 2.449 1.00 0.00 O ATOM 896 CG2 THR A 151 2.910 -8.859 3.265 1.00 0.00 C ATOM 0 H THR A 151 4.764 -6.397 1.803 1.00 0.00 H new ATOM 0 HA THR A 151 3.943 -9.039 0.777 1.00 0.00 H new ATOM 0 HB THR A 151 1.659 -8.486 1.575 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.051 -6.675 3.416 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.084 -8.859 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.124 -9.883 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.794 -8.430 3.736 1.00 0.00 H new ATOM 904 N PRO A 152 2.661 -8.047 -1.216 1.00 0.00 N ATOM 905 CA PRO A 152 2.181 -7.476 -2.482 1.00 0.00 C ATOM 906 C PRO A 152 1.121 -6.398 -2.279 1.00 0.00 C ATOM 907 O PRO A 152 0.982 -5.841 -1.190 1.00 0.00 O ATOM 908 CB PRO A 152 1.577 -8.681 -3.215 1.00 0.00 C ATOM 909 CG PRO A 152 2.226 -9.872 -2.597 1.00 0.00 C ATOM 910 CD PRO A 152 2.474 -9.507 -1.162 1.00 0.00 C ATOM 0 HA PRO A 152 2.985 -6.983 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.494 -8.714 -3.094 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.777 -8.633 -4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.584 -10.749 -2.671 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.159 -10.116 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.633 -9.782 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.354 -10.012 -0.764 1.00 0.00 H new ATOM 918 N LYS A 153 0.376 -6.105 -3.338 1.00 0.00 N ATOM 919 CA LYS A 153 -0.669 -5.090 -3.280 1.00 0.00 C ATOM 920 C LYS A 153 -2.025 -5.723 -2.968 1.00 0.00 C ATOM 921 O LYS A 153 -2.458 -6.648 -3.655 1.00 0.00 O ATOM 922 CB LYS A 153 -0.737 -4.336 -4.608 1.00 0.00 C ATOM 923 CG LYS A 153 -1.616 -3.099 -4.566 1.00 0.00 C ATOM 924 CD LYS A 153 -1.687 -2.425 -5.925 1.00 0.00 C ATOM 925 CE LYS A 153 -2.440 -1.108 -5.856 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.603 -0.491 -7.201 1.00 0.00 N ATOM 0 H LYS A 153 0.476 -6.556 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.425 -4.390 -2.481 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.271 -4.044 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.111 -5.010 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.620 -3.374 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.224 -2.397 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.678 -2.249 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.178 -3.089 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.421 -1.274 -5.411 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.906 -0.418 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.285 0.499 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.034 -1.016 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.605 -0.524 -7.479 1.00 0.00 H new ATOM 940 N PRO A 154 -2.718 -5.233 -1.923 1.00 0.00 N ATOM 941 CA PRO A 154 -4.030 -5.761 -1.530 1.00 0.00 C ATOM 942 C PRO A 154 -5.125 -5.399 -2.529 1.00 0.00 C ATOM 943 O PRO A 154 -4.852 -5.152 -3.704 1.00 0.00 O ATOM 944 CB PRO A 154 -4.293 -5.086 -0.183 1.00 0.00 C ATOM 945 CG PRO A 154 -3.507 -3.822 -0.233 1.00 0.00 C ATOM 946 CD PRO A 154 -2.279 -4.130 -1.046 1.00 0.00 C ATOM 0 HA PRO A 154 -4.034 -6.850 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.355 -4.886 -0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.974 -5.718 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.087 -3.020 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.238 -3.490 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -1.951 -3.265 -1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.443 -4.428 -0.414 1.00 0.00 H new ATOM 954 N HIS A 155 -6.368 -5.365 -2.052 1.00 0.00 N ATOM 955 CA HIS A 155 -7.505 -5.025 -2.898 1.00 0.00 C ATOM 956 C HIS A 155 -8.642 -4.434 -2.070 1.00 0.00 C ATOM 957 O HIS A 155 -8.891 -4.868 -0.944 1.00 0.00 O ATOM 958 CB HIS A 155 -7.994 -6.256 -3.665 1.00 0.00 C ATOM 959 CG HIS A 155 -8.391 -7.401 -2.787 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.503 -8.061 -1.965 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.589 -8.006 -2.609 1.00 0.00 C ATOM 962 CE1 HIS A 155 -8.137 -9.025 -1.321 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.404 -9.012 -1.692 1.00 0.00 N ATOM 0 H HIS A 155 -6.611 -5.569 -1.083 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.176 -4.274 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.846 -5.972 -4.282 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.206 -6.586 -4.342 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.517 -7.746 -3.097 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.694 -9.708 -0.611 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -10.128 -9.646 -1.353 1.00 0.00 H new ATOM 972 N CYS A 156 -9.326 -3.442 -2.630 1.00 0.00 N ATOM 973 CA CYS A 156 -10.434 -2.793 -1.938 1.00 0.00 C ATOM 974 C CYS A 156 -11.772 -3.353 -2.408 1.00 0.00 C ATOM 975 O CYS A 156 -12.014 -3.485 -3.608 1.00 0.00 O ATOM 976 CB CYS A 156 -10.398 -1.282 -2.175 1.00 0.00 C ATOM 977 SG CYS A 156 -8.891 -0.464 -1.559 1.00 0.00 S ATOM 0 H CYS A 156 -9.133 -3.070 -3.560 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.327 -2.993 -0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -10.490 -1.091 -3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.266 -0.830 -1.695 1.00 0.00 H new ATOM 982 N GLN A 157 -12.639 -3.681 -1.454 1.00 0.00 N ATOM 983 CA GLN A 157 -13.954 -4.225 -1.774 1.00 0.00 C ATOM 984 C GLN A 157 -15.059 -3.282 -1.307 1.00 0.00 C ATOM 985 O GLN A 157 -14.965 -2.682 -0.237 1.00 0.00 O ATOM 986 CB GLN A 157 -14.128 -5.604 -1.132 1.00 0.00 C ATOM 987 CG GLN A 157 -15.465 -6.258 -1.447 1.00 0.00 C ATOM 988 CD GLN A 157 -15.598 -7.639 -0.836 1.00 0.00 C ATOM 989 OE1 GLN A 157 -15.787 -8.644 -1.683 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -15.532 -7.801 0.382 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.455 -3.580 -0.456 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.027 -4.328 -2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.324 -6.258 -1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.026 -5.508 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.271 -5.623 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.584 -6.330 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -15.386 -7.000 0.996 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.624 -8.737 0.778 1.00 0.00 H new ATOM 999 N VAL A 158 -16.107 -3.157 -2.115 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.229 -2.293 -1.780 1.00 0.00 C ATOM 1001 C VAL A 158 -18.141 -2.979 -0.777 1.00 0.00 C ATOM 1002 O VAL A 158 -18.493 -4.148 -0.943 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.041 -1.903 -3.033 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.589 -3.139 -3.729 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.164 -0.944 -2.667 1.00 0.00 C ATOM 0 H VAL A 158 -16.201 -3.644 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.821 -1.383 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.372 -1.395 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.158 -2.839 -4.609 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.763 -3.782 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.240 -3.683 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.725 -0.681 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.831 -1.422 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -18.742 -0.041 -2.225 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.512 -2.259 0.271 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.372 -2.821 1.296 1.00 0.00 C ATOM 1017 C ASN A 159 -20.761 -3.118 0.741 1.00 0.00 C ATOM 1018 O ASN A 159 -21.100 -2.567 -0.327 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.474 -1.874 2.495 1.00 0.00 C ATOM 1020 CG ASN A 159 -20.103 -0.542 2.131 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -21.244 -0.485 1.672 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.361 0.539 2.337 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.498 -3.900 1.378 1.00 0.00 O ATOM 0 H ASN A 159 -18.232 -1.291 0.432 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.927 -3.759 1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.064 -2.348 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -18.478 -1.702 2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.732 1.462 2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.420 0.446 2.719 1.00 0.00 H new TER 1030 ASN A 159