USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=17 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 142 SER OG : rot -30:sc= 1.32 USER MOD Set 1.2: A 151 THR OG1 : rot -153:sc= 1.5 USER MOD Set 2.1: A 100 SER OG : rot -112:sc= 1.19 USER MOD Set 2.2: A 102 SER OG : rot 81:sc= 1.11 USER MOD Single : A 101 LYS NZ :NH3+ -168:sc= -0.0453 (180deg=-0.237) USER MOD Single : A 103 TYR OH : rot 120:sc= -0.206 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -1 F(o=-2!,f=-1) USER MOD Single : A 110 LYS NZ :NH3+ 153:sc= -0.18 (180deg=-0.613) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 135 HIS :FLIP no HD1:sc= -0.563 F(o=-2.9!,f=-0.56) USER MOD Single : A 139 SER OG : rot -138:sc=-0.00171 USER MOD Single : A 140 SER OG : rot -23:sc= 0.569 USER MOD Single : A 145 SER OG : rot -44:sc= 1.08 USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 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+ -117:sc= 0.237 (180deg=-0.54) USER MOD Single : A 155 HIS : no HD1:sc= -0.552 K(o=-0.55,f=-1.4) USER MOD Single : A 157 GLN :FLIP amide:sc= -0.563 F(o=-3.1!,f=-0.56) USER MOD Single : A 159 ASN : amide:sc= -2.45 K(o=-2.5,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 26.074 0.587 -12.193 1.00 0.00 N ATOM 2 CA GLU A 92 27.375 1.093 -11.685 1.00 0.00 C ATOM 3 C GLU A 92 27.319 2.596 -11.425 1.00 0.00 C ATOM 4 O GLU A 92 28.227 3.337 -11.802 1.00 0.00 O ATOM 5 CB GLU A 92 28.460 0.771 -12.718 1.00 0.00 C ATOM 6 CG GLU A 92 28.183 1.352 -14.095 1.00 0.00 C ATOM 7 CD GLU A 92 29.259 1.003 -15.105 1.00 0.00 C ATOM 8 OE1 GLU A 92 29.477 -0.203 -15.346 1.00 0.00 O ATOM 9 OE2 GLU A 92 29.882 1.935 -15.654 1.00 0.00 O ATOM 0 HA GLU A 92 27.604 0.607 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 92 29.416 1.151 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 92 28.559 -0.311 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 92 27.221 0.984 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 92 28.101 2.436 -14.018 1.00 0.00 H new ATOM 18 N ALA A 93 26.247 3.038 -10.774 1.00 0.00 N ATOM 19 CA ALA A 93 26.070 4.451 -10.460 1.00 0.00 C ATOM 20 C ALA A 93 24.897 4.661 -9.508 1.00 0.00 C ATOM 21 O ALA A 93 24.996 5.420 -8.544 1.00 0.00 O ATOM 22 CB ALA A 93 25.864 5.254 -11.736 1.00 0.00 C ATOM 0 H ALA A 93 25.488 2.437 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 93 26.975 4.802 -9.964 1.00 0.00 H new ATOM 0 HB1 ALA A 93 25.733 6.307 -11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 93 26.734 5.140 -12.382 1.00 0.00 H new ATOM 0 HB3 ALA A 93 24.977 4.891 -12.255 1.00 0.00 H new ATOM 28 N GLU A 94 23.788 3.980 -9.785 1.00 0.00 N ATOM 29 CA GLU A 94 22.595 4.090 -8.951 1.00 0.00 C ATOM 30 C GLU A 94 22.882 3.636 -7.523 1.00 0.00 C ATOM 31 O GLU A 94 23.521 2.608 -7.303 1.00 0.00 O ATOM 32 CB GLU A 94 21.456 3.257 -9.544 1.00 0.00 C ATOM 33 CG GLU A 94 21.028 3.705 -10.934 1.00 0.00 C ATOM 34 CD GLU A 94 20.448 5.106 -10.948 1.00 0.00 C ATOM 35 OE1 GLU A 94 21.177 6.058 -10.598 1.00 0.00 O ATOM 36 OE2 GLU A 94 19.261 5.252 -11.312 1.00 0.00 O ATOM 0 H GLU A 94 23.691 3.347 -10.579 1.00 0.00 H new ATOM 0 HA GLU A 94 22.296 5.138 -8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 94 21.766 2.213 -9.588 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.596 3.306 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.887 3.666 -11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.288 3.006 -11.324 1.00 0.00 H new ATOM 43 N PHE A 95 22.403 4.414 -6.556 1.00 0.00 N ATOM 44 CA PHE A 95 22.606 4.100 -5.146 1.00 0.00 C ATOM 45 C PHE A 95 21.876 2.817 -4.760 1.00 0.00 C ATOM 46 O PHE A 95 22.434 1.954 -4.082 1.00 0.00 O ATOM 47 CB PHE A 95 22.124 5.255 -4.263 1.00 0.00 C ATOM 48 CG PHE A 95 22.918 6.525 -4.421 1.00 0.00 C ATOM 49 CD1 PHE A 95 23.113 7.092 -5.672 1.00 0.00 C ATOM 50 CD2 PHE A 95 23.464 7.155 -3.314 1.00 0.00 C ATOM 51 CE1 PHE A 95 23.838 8.260 -5.813 1.00 0.00 C ATOM 52 CE2 PHE A 95 24.189 8.322 -3.450 1.00 0.00 C ATOM 53 CZ PHE A 95 24.377 8.876 -4.701 1.00 0.00 C ATOM 0 H PHE A 95 21.871 5.268 -6.724 1.00 0.00 H new ATOM 0 HA PHE A 95 23.675 3.953 -4.989 1.00 0.00 H new ATOM 0 HB2 PHE A 95 21.079 5.462 -4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 95 22.165 4.942 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 95 22.693 6.615 -6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 95 23.321 6.728 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 95 23.983 8.691 -6.793 1.00 0.00 H new ATOM 0 HE2 PHE A 95 24.609 8.802 -2.578 1.00 0.00 H new ATOM 0 HZ PHE A 95 24.944 9.789 -4.809 1.00 0.00 H new ATOM 63 N VAL A 96 20.624 2.701 -5.193 1.00 0.00 N ATOM 64 CA VAL A 96 19.812 1.529 -4.889 1.00 0.00 C ATOM 65 C VAL A 96 18.490 1.567 -5.652 1.00 0.00 C ATOM 66 O VAL A 96 17.887 2.629 -5.811 1.00 0.00 O ATOM 67 CB VAL A 96 19.522 1.421 -3.377 1.00 0.00 C ATOM 68 CG1 VAL A 96 18.862 2.693 -2.866 1.00 0.00 C ATOM 69 CG2 VAL A 96 18.658 0.206 -3.077 1.00 0.00 C ATOM 0 H VAL A 96 20.150 3.406 -5.757 1.00 0.00 H new ATOM 0 HA VAL A 96 20.384 0.655 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 96 20.471 1.296 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 96 18.666 2.597 -1.798 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.524 3.541 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.922 2.853 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 96 18.467 0.151 -2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.711 0.292 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 96 19.176 -0.697 -3.400 1.00 0.00 H new ATOM 79 N ARG A 97 18.051 0.405 -6.128 1.00 0.00 N ATOM 80 CA ARG A 97 16.804 0.309 -6.880 1.00 0.00 C ATOM 81 C ARG A 97 15.632 0.859 -6.075 1.00 0.00 C ATOM 82 O ARG A 97 15.407 0.462 -4.931 1.00 0.00 O ATOM 83 CB ARG A 97 16.533 -1.143 -7.280 1.00 0.00 C ATOM 84 CG ARG A 97 15.223 -1.335 -8.027 1.00 0.00 C ATOM 85 CD ARG A 97 15.109 -2.736 -8.602 1.00 0.00 C ATOM 86 NE ARG A 97 16.168 -3.015 -9.570 1.00 0.00 N ATOM 87 CZ ARG A 97 16.337 -2.331 -10.699 1.00 0.00 C ATOM 88 NH1 ARG A 97 15.501 -1.353 -11.020 1.00 0.00 N ATOM 89 NH2 ARG A 97 17.342 -2.630 -11.512 1.00 0.00 N ATOM 0 H ARG A 97 18.540 -0.482 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 97 16.909 0.912 -7.782 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.353 -1.498 -7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.524 -1.762 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.388 -1.149 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.152 -0.604 -8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.155 -3.465 -7.793 1.00 0.00 H new ATOM 0 HD3 ARG A 97 14.138 -2.853 -9.082 1.00 0.00 H new ATOM 0 HE ARG A 97 16.815 -3.778 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.724 -1.122 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.635 -0.832 -11.886 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.985 -3.384 -11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 97 17.471 -2.106 -12.377 1.00 0.00 H new ATOM 103 N ILE A 98 14.894 1.783 -6.683 1.00 0.00 N ATOM 104 CA ILE A 98 13.747 2.404 -6.037 1.00 0.00 C ATOM 105 C ILE A 98 12.564 1.444 -5.942 1.00 0.00 C ATOM 106 O ILE A 98 12.306 0.665 -6.859 1.00 0.00 O ATOM 107 CB ILE A 98 13.308 3.679 -6.782 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.993 3.361 -8.247 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.391 4.745 -6.682 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.498 4.555 -9.036 1.00 0.00 C ATOM 0 H ILE A 98 15.074 2.119 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 98 14.064 2.670 -5.029 1.00 0.00 H new ATOM 0 HB ILE A 98 12.401 4.064 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.890 2.967 -8.725 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.240 2.574 -8.285 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.069 5.641 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.568 4.987 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.312 4.371 -7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.296 4.253 -10.064 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.583 4.936 -8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.259 5.336 -9.030 1.00 0.00 H new ATOM 122 N CYS A 99 11.851 1.513 -4.822 1.00 0.00 N ATOM 123 CA CYS A 99 10.689 0.659 -4.593 1.00 0.00 C ATOM 124 C CYS A 99 9.611 0.911 -5.644 1.00 0.00 C ATOM 125 O CYS A 99 9.408 2.046 -6.075 1.00 0.00 O ATOM 126 CB CYS A 99 10.125 0.904 -3.193 1.00 0.00 C ATOM 127 SG CYS A 99 11.341 0.689 -1.853 1.00 0.00 S ATOM 0 H CYS A 99 12.058 2.154 -4.056 1.00 0.00 H new ATOM 0 HA CYS A 99 11.008 -0.380 -4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.724 1.917 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.291 0.223 -3.025 1.00 0.00 H new ATOM 132 N SER A 100 8.927 -0.157 -6.053 1.00 0.00 N ATOM 133 CA SER A 100 7.870 -0.058 -7.057 1.00 0.00 C ATOM 134 C SER A 100 6.905 1.082 -6.738 1.00 0.00 C ATOM 135 O SER A 100 6.422 1.205 -5.612 1.00 0.00 O ATOM 136 CB SER A 100 7.104 -1.378 -7.154 1.00 0.00 C ATOM 137 OG SER A 100 6.094 -1.309 -8.145 1.00 0.00 O ATOM 0 H SER A 100 9.087 -1.102 -5.703 1.00 0.00 H new ATOM 0 HA SER A 100 8.342 0.155 -8.016 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.795 -2.187 -7.390 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.656 -1.614 -6.189 1.00 0.00 H new ATOM 0 HG SER A 100 5.213 -1.341 -7.717 1.00 0.00 H new ATOM 143 N LYS A 101 6.636 1.914 -7.739 1.00 0.00 N ATOM 144 CA LYS A 101 5.735 3.052 -7.580 1.00 0.00 C ATOM 145 C LYS A 101 4.272 2.610 -7.579 1.00 0.00 C ATOM 146 O LYS A 101 3.395 3.342 -7.120 1.00 0.00 O ATOM 147 CB LYS A 101 5.967 4.069 -8.700 1.00 0.00 C ATOM 148 CG LYS A 101 5.665 3.528 -10.089 1.00 0.00 C ATOM 149 CD LYS A 101 5.946 4.558 -11.162 1.00 0.00 C ATOM 150 CE LYS A 101 5.582 4.038 -12.543 1.00 0.00 C ATOM 151 NZ LYS A 101 6.332 2.799 -12.887 1.00 0.00 N ATOM 0 H LYS A 101 7.031 1.821 -8.675 1.00 0.00 H new ATOM 0 HA LYS A 101 5.951 3.515 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.345 4.945 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.004 4.402 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.267 2.638 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.620 3.223 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.380 5.466 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.002 4.828 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.511 3.837 -12.584 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.791 4.807 -13.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.213 2.591 -13.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.342 2.935 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.966 2.004 -12.325 1.00 0.00 H new ATOM 165 N SER A 102 4.014 1.419 -8.113 1.00 0.00 N ATOM 166 CA SER A 102 2.656 0.889 -8.191 1.00 0.00 C ATOM 167 C SER A 102 1.962 0.905 -6.830 1.00 0.00 C ATOM 168 O SER A 102 0.812 1.328 -6.721 1.00 0.00 O ATOM 169 CB SER A 102 2.674 -0.536 -8.746 1.00 0.00 C ATOM 170 OG SER A 102 3.426 -1.399 -7.910 1.00 0.00 O ATOM 0 H SER A 102 4.729 0.802 -8.499 1.00 0.00 H new ATOM 0 HA SER A 102 2.092 1.535 -8.864 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.653 -0.908 -8.834 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.100 -0.534 -9.749 1.00 0.00 H new ATOM 0 HG SER A 102 2.873 -1.686 -7.154 1.00 0.00 H new ATOM 176 N TYR A 103 2.659 0.441 -5.799 1.00 0.00 N ATOM 177 CA TYR A 103 2.093 0.404 -4.453 1.00 0.00 C ATOM 178 C TYR A 103 1.749 1.807 -3.960 1.00 0.00 C ATOM 179 O TYR A 103 0.750 2.000 -3.266 1.00 0.00 O ATOM 180 CB TYR A 103 3.058 -0.272 -3.474 1.00 0.00 C ATOM 181 CG TYR A 103 3.257 -1.751 -3.729 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.730 -2.212 -4.951 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.974 -2.687 -2.740 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.914 -3.563 -5.182 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.157 -4.038 -2.964 1.00 0.00 C ATOM 186 CZ TYR A 103 3.626 -4.471 -4.186 1.00 0.00 C ATOM 187 OH TYR A 103 3.809 -5.815 -4.412 1.00 0.00 O ATOM 0 H TYR A 103 3.613 0.086 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 103 1.174 -0.180 -4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.025 0.229 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.685 -0.136 -2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.958 -1.504 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.605 -2.352 -1.782 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.282 -3.905 -6.138 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.934 -4.752 -2.185 1.00 0.00 H new ATOM 0 HH TYR A 103 4.458 -6.169 -3.769 1.00 0.00 H new ATOM 197 N LEU A 104 2.583 2.780 -4.317 1.00 0.00 N ATOM 198 CA LEU A 104 2.368 4.164 -3.904 1.00 0.00 C ATOM 199 C LEU A 104 0.974 4.645 -4.298 1.00 0.00 C ATOM 200 O LEU A 104 0.251 5.216 -3.481 1.00 0.00 O ATOM 201 CB LEU A 104 3.427 5.074 -4.531 1.00 0.00 C ATOM 202 CG LEU A 104 4.878 4.710 -4.201 1.00 0.00 C ATOM 203 CD1 LEU A 104 5.838 5.634 -4.935 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.122 4.771 -2.700 1.00 0.00 C ATOM 0 H LEU A 104 3.414 2.636 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 104 2.453 4.208 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.302 5.057 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.243 6.098 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 104 5.058 3.688 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.864 5.362 -4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.685 5.539 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.654 6.665 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.159 4.509 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.922 5.780 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.460 4.068 -2.195 1.00 0.00 H new ATOM 216 N THR A 105 0.602 4.411 -5.552 1.00 0.00 N ATOM 217 CA THR A 105 -0.707 4.820 -6.051 1.00 0.00 C ATOM 218 C THR A 105 -1.724 3.694 -5.899 1.00 0.00 C ATOM 219 O THR A 105 -1.420 2.531 -6.162 1.00 0.00 O ATOM 220 CB THR A 105 -0.636 5.243 -7.531 1.00 0.00 C ATOM 221 OG1 THR A 105 0.307 6.310 -7.691 1.00 0.00 O ATOM 222 CG2 THR A 105 -2.001 5.691 -8.036 1.00 0.00 C ATOM 0 H THR A 105 1.188 3.940 -6.242 1.00 0.00 H new ATOM 0 HA THR A 105 -1.024 5.675 -5.455 1.00 0.00 H new ATOM 0 HB THR A 105 -0.315 4.380 -8.115 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.348 6.572 -8.634 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.923 5.984 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.712 4.870 -7.941 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.347 6.540 -7.446 1.00 0.00 H new ATOM 230 N LEU A 106 -2.934 4.044 -5.470 1.00 0.00 N ATOM 231 CA LEU A 106 -3.990 3.055 -5.283 1.00 0.00 C ATOM 232 C LEU A 106 -5.358 3.633 -5.624 1.00 0.00 C ATOM 233 O LEU A 106 -5.728 4.709 -5.153 1.00 0.00 O ATOM 234 CB LEU A 106 -3.990 2.541 -3.841 1.00 0.00 C ATOM 235 CG LEU A 106 -5.175 1.641 -3.466 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.310 0.486 -4.446 1.00 0.00 C ATOM 237 CD2 LEU A 106 -5.019 1.122 -2.045 1.00 0.00 C ATOM 0 H LEU A 106 -3.206 5.001 -5.246 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.790 2.226 -5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.066 1.988 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.978 3.398 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.086 2.237 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.157 -0.138 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.472 0.878 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.398 -0.111 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.868 0.485 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.097 0.545 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.980 1.963 -1.353 1.00 0.00 H new ATOM 249 N GLU A 107 -6.109 2.897 -6.437 1.00 0.00 N ATOM 250 CA GLU A 107 -7.444 3.316 -6.839 1.00 0.00 C ATOM 251 C GLU A 107 -8.417 3.178 -5.675 1.00 0.00 C ATOM 252 O GLU A 107 -8.390 2.184 -4.948 1.00 0.00 O ATOM 253 CB GLU A 107 -7.925 2.485 -8.031 1.00 0.00 C ATOM 254 CG GLU A 107 -9.323 2.848 -8.506 1.00 0.00 C ATOM 255 CD GLU A 107 -9.773 2.010 -9.686 1.00 0.00 C ATOM 256 OE1 GLU A 107 -9.836 0.771 -9.546 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.062 2.594 -10.752 1.00 0.00 O ATOM 0 H GLU A 107 -5.813 2.004 -6.831 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.403 4.364 -7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.226 2.613 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.906 1.430 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.027 2.719 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.346 3.902 -8.783 1.00 0.00 H new ATOM 264 N ASN A 108 -9.275 4.179 -5.502 1.00 0.00 N ATOM 265 CA ASN A 108 -10.257 4.170 -4.423 1.00 0.00 C ATOM 266 C ASN A 108 -9.575 4.125 -3.058 1.00 0.00 C ATOM 267 O ASN A 108 -10.062 3.473 -2.135 1.00 0.00 O ATOM 268 CB ASN A 108 -11.200 2.972 -4.573 1.00 0.00 C ATOM 269 CG ASN A 108 -12.050 3.056 -5.826 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.925 2.058 -6.694 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -12.811 4.006 -6.011 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.310 5.007 -6.096 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.834 5.092 -4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.614 2.053 -4.596 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -11.850 2.914 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.875 4.751 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.377 4.048 -6.858 1.00 0.00 H new ATOM 278 N GLY A 109 -8.448 4.823 -2.933 1.00 0.00 N ATOM 279 CA GLY A 109 -7.730 4.844 -1.670 1.00 0.00 C ATOM 280 C GLY A 109 -6.460 5.672 -1.732 1.00 0.00 C ATOM 281 O GLY A 109 -6.136 6.250 -2.770 1.00 0.00 O ATOM 0 H GLY A 109 -8.021 5.371 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.382 5.243 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.479 3.823 -1.382 1.00 0.00 H new ATOM 285 N LYS A 110 -5.740 5.727 -0.614 1.00 0.00 N ATOM 286 CA LYS A 110 -4.497 6.487 -0.538 1.00 0.00 C ATOM 287 C LYS A 110 -3.464 5.752 0.310 1.00 0.00 C ATOM 288 O LYS A 110 -3.812 5.058 1.267 1.00 0.00 O ATOM 289 CB LYS A 110 -4.750 7.880 0.046 1.00 0.00 C ATOM 290 CG LYS A 110 -5.262 7.862 1.478 1.00 0.00 C ATOM 291 CD LYS A 110 -5.391 9.268 2.044 1.00 0.00 C ATOM 292 CE LYS A 110 -6.402 10.097 1.268 1.00 0.00 C ATOM 293 NZ LYS A 110 -7.771 9.519 1.347 1.00 0.00 N ATOM 0 H LYS A 110 -5.997 5.253 0.252 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.108 6.594 -1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.824 8.453 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.473 8.401 -0.582 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.231 7.365 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.583 7.279 2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -5.692 9.213 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.419 9.761 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -6.414 11.114 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.095 10.161 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -8.475 10.276 1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.894 8.813 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.903 9.063 2.273 1.00 0.00 H new ATOM 307 N VAL A 111 -2.195 5.907 -0.048 1.00 0.00 N ATOM 308 CA VAL A 111 -1.109 5.258 0.677 1.00 0.00 C ATOM 309 C VAL A 111 -0.323 6.271 1.505 1.00 0.00 C ATOM 310 O VAL A 111 -0.099 7.401 1.072 1.00 0.00 O ATOM 311 CB VAL A 111 -0.145 4.534 -0.285 1.00 0.00 C ATOM 312 CG1 VAL A 111 1.013 3.911 0.478 1.00 0.00 C ATOM 313 CG2 VAL A 111 -0.890 3.479 -1.088 1.00 0.00 C ATOM 0 H VAL A 111 -1.892 6.478 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.563 4.523 1.342 1.00 0.00 H new ATOM 0 HB VAL A 111 0.264 5.269 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.680 3.406 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.563 4.691 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.628 3.189 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.196 2.977 -1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.329 2.748 -0.409 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.680 3.955 -1.669 1.00 0.00 H new ATOM 323 N PHE A 112 0.087 5.859 2.701 1.00 0.00 N ATOM 324 CA PHE A 112 0.842 6.731 3.593 1.00 0.00 C ATOM 325 C PHE A 112 2.315 6.335 3.621 1.00 0.00 C ATOM 326 O PHE A 112 2.648 5.155 3.713 1.00 0.00 O ATOM 327 CB PHE A 112 0.264 6.680 5.011 1.00 0.00 C ATOM 328 CG PHE A 112 -1.134 7.226 5.122 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.169 6.693 4.369 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.412 8.272 5.988 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.453 7.195 4.476 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.693 8.777 6.099 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.715 8.238 5.342 1.00 0.00 C ATOM 0 H PHE A 112 -0.091 4.927 3.074 1.00 0.00 H new ATOM 0 HA PHE A 112 0.761 7.750 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.268 5.646 5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.917 7.242 5.679 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.970 5.876 3.691 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.617 8.697 6.583 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.250 6.772 3.883 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.895 9.593 6.777 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.717 8.632 5.427 1.00 0.00 H new ATOM 343 N LEU A 113 3.189 7.332 3.542 1.00 0.00 N ATOM 344 CA LEU A 113 4.625 7.097 3.560 1.00 0.00 C ATOM 345 C LEU A 113 5.196 7.432 4.930 1.00 0.00 C ATOM 346 O LEU A 113 4.710 8.338 5.607 1.00 0.00 O ATOM 347 CB LEU A 113 5.327 7.937 2.484 1.00 0.00 C ATOM 348 CG LEU A 113 4.873 7.685 1.040 1.00 0.00 C ATOM 349 CD1 LEU A 113 4.993 6.213 0.682 1.00 0.00 C ATOM 350 CD2 LEU A 113 3.448 8.178 0.826 1.00 0.00 C ATOM 0 H LEU A 113 2.925 8.314 3.465 1.00 0.00 H new ATOM 0 HA LEU A 113 4.800 6.042 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.173 8.991 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.399 7.750 2.546 1.00 0.00 H new ATOM 0 HG LEU A 113 5.530 8.248 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.665 6.061 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.032 5.898 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.368 5.623 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.148 7.989 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.775 7.651 1.502 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.399 9.248 1.027 1.00 0.00 H new ATOM 362 N THR A 114 6.226 6.702 5.336 1.00 0.00 N ATOM 363 CA THR A 114 6.847 6.938 6.630 1.00 0.00 C ATOM 364 C THR A 114 8.321 6.545 6.616 1.00 0.00 C ATOM 365 O THR A 114 8.676 5.443 6.197 1.00 0.00 O ATOM 366 CB THR A 114 6.129 6.159 7.748 1.00 0.00 C ATOM 367 OG1 THR A 114 4.748 6.537 7.800 1.00 0.00 O ATOM 368 CG2 THR A 114 6.779 6.421 9.099 1.00 0.00 C ATOM 0 H THR A 114 6.646 5.948 4.792 1.00 0.00 H new ATOM 0 HA THR A 114 6.763 8.006 6.830 1.00 0.00 H new ATOM 0 HB THR A 114 6.209 5.095 7.524 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.298 6.036 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.253 5.859 9.871 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.822 6.106 9.068 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.728 7.486 9.327 1.00 0.00 H new ATOM 376 N GLY A 115 9.172 7.455 7.081 1.00 0.00 N ATOM 377 CA GLY A 115 10.600 7.193 7.117 1.00 0.00 C ATOM 378 C GLY A 115 11.160 6.827 5.757 1.00 0.00 C ATOM 379 O GLY A 115 11.956 5.897 5.637 1.00 0.00 O ATOM 0 H GLY A 115 8.897 8.372 7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 115 11.118 8.075 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.799 6.382 7.818 1.00 0.00 H new ATOM 383 N GLY A 116 10.741 7.559 4.729 1.00 0.00 N ATOM 384 CA GLY A 116 11.215 7.287 3.385 1.00 0.00 C ATOM 385 C GLY A 116 10.624 8.229 2.356 1.00 0.00 C ATOM 386 O GLY A 116 9.447 8.581 2.429 1.00 0.00 O ATOM 0 H GLY A 116 10.083 8.335 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.302 7.368 3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 116 10.966 6.260 3.117 1.00 0.00 H new ATOM 390 N ASP A 117 11.447 8.637 1.393 1.00 0.00 N ATOM 391 CA ASP A 117 11.010 9.543 0.338 1.00 0.00 C ATOM 392 C ASP A 117 12.120 9.733 -0.686 1.00 0.00 C ATOM 393 O ASP A 117 13.277 9.941 -0.321 1.00 0.00 O ATOM 394 CB ASP A 117 10.604 10.896 0.931 1.00 0.00 C ATOM 395 CG ASP A 117 10.085 11.861 -0.119 1.00 0.00 C ATOM 396 OD1 ASP A 117 10.852 12.210 -1.040 1.00 0.00 O ATOM 397 OD2 ASP A 117 8.909 12.270 -0.019 1.00 0.00 O ATOM 0 H ASP A 117 12.424 8.352 1.323 1.00 0.00 H new ATOM 0 HA ASP A 117 10.144 9.105 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.835 10.741 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 117 11.463 11.340 1.435 1.00 0.00 H new ATOM 402 N LEU A 118 11.764 9.655 -1.965 1.00 0.00 N ATOM 403 CA LEU A 118 12.734 9.809 -3.045 1.00 0.00 C ATOM 404 C LEU A 118 13.677 10.978 -2.769 1.00 0.00 C ATOM 405 O LEU A 118 13.236 12.075 -2.423 1.00 0.00 O ATOM 406 CB LEU A 118 12.012 10.021 -4.377 1.00 0.00 C ATOM 407 CG LEU A 118 12.913 10.288 -5.587 1.00 0.00 C ATOM 408 CD1 LEU A 118 13.668 9.028 -5.983 1.00 0.00 C ATOM 409 CD2 LEU A 118 12.087 10.793 -6.760 1.00 0.00 C ATOM 0 H LEU A 118 10.809 9.486 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 118 13.327 8.896 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 118 11.407 9.139 -4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 118 11.325 10.860 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 118 13.638 11.054 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.302 9.239 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.287 8.698 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.957 8.243 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.741 10.978 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 118 11.342 10.044 -7.030 1.00 0.00 H new ATOM 0 HD23 LEU A 118 11.585 11.719 -6.480 1.00 0.00 H new ATOM 421 N PRO A 119 14.994 10.755 -2.917 1.00 0.00 N ATOM 422 CA PRO A 119 15.554 9.472 -3.325 1.00 0.00 C ATOM 423 C PRO A 119 15.886 8.558 -2.144 1.00 0.00 C ATOM 424 O PRO A 119 17.049 8.216 -1.927 1.00 0.00 O ATOM 425 CB PRO A 119 16.823 9.893 -4.057 1.00 0.00 C ATOM 426 CG PRO A 119 17.270 11.145 -3.367 1.00 0.00 C ATOM 427 CD PRO A 119 16.053 11.752 -2.700 1.00 0.00 C ATOM 0 HA PRO A 119 14.857 8.887 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.587 9.117 -4.001 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.628 10.073 -5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 119 18.041 10.923 -2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.705 11.843 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 119 16.225 11.927 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.793 12.713 -3.143 1.00 0.00 H new ATOM 435 N ALA A 120 14.867 8.166 -1.383 1.00 0.00 N ATOM 436 CA ALA A 120 15.071 7.293 -0.231 1.00 0.00 C ATOM 437 C ALA A 120 13.938 6.280 -0.097 1.00 0.00 C ATOM 438 O ALA A 120 13.377 6.100 0.985 1.00 0.00 O ATOM 439 CB ALA A 120 15.197 8.119 1.041 1.00 0.00 C ATOM 0 H ALA A 120 13.897 8.438 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 120 15.998 6.740 -0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.349 7.455 1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 120 16.047 8.796 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.286 8.698 1.190 1.00 0.00 H new ATOM 445 N LEU A 121 13.611 5.615 -1.202 1.00 0.00 N ATOM 446 CA LEU A 121 12.551 4.612 -1.206 1.00 0.00 C ATOM 447 C LEU A 121 12.904 3.453 -0.279 1.00 0.00 C ATOM 448 O LEU A 121 12.071 2.992 0.502 1.00 0.00 O ATOM 449 CB LEU A 121 12.308 4.086 -2.626 1.00 0.00 C ATOM 450 CG LEU A 121 11.703 5.089 -3.617 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.376 5.625 -3.099 1.00 0.00 C ATOM 452 CD2 LEU A 121 12.671 6.229 -3.896 1.00 0.00 C ATOM 0 H LEU A 121 14.065 5.753 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 121 11.638 5.086 -0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.257 3.733 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.647 3.222 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 121 11.518 4.566 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 121 9.965 6.334 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 121 9.678 4.799 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.534 6.126 -2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.219 6.926 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 121 12.898 6.750 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.591 5.829 -4.321 1.00 0.00 H new ATOM 464 N ASP A 122 14.147 2.990 -0.372 1.00 0.00 N ATOM 465 CA ASP A 122 14.624 1.886 0.454 1.00 0.00 C ATOM 466 C ASP A 122 14.583 2.264 1.932 1.00 0.00 C ATOM 467 O ASP A 122 14.928 3.386 2.305 1.00 0.00 O ATOM 468 CB ASP A 122 16.051 1.506 0.047 1.00 0.00 C ATOM 469 CG ASP A 122 16.578 0.295 0.795 1.00 0.00 C ATOM 470 OD1 ASP A 122 15.822 -0.286 1.599 1.00 0.00 O ATOM 471 OD2 ASP A 122 17.750 -0.075 0.570 1.00 0.00 O ATOM 0 H ASP A 122 14.845 3.365 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 122 13.969 1.029 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 122 16.076 1.304 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.712 2.354 0.227 1.00 0.00 H new ATOM 476 N GLY A 123 14.159 1.323 2.771 1.00 0.00 N ATOM 477 CA GLY A 123 14.081 1.582 4.196 1.00 0.00 C ATOM 478 C GLY A 123 12.931 2.502 4.553 1.00 0.00 C ATOM 479 O GLY A 123 13.136 3.564 5.142 1.00 0.00 O ATOM 0 H GLY A 123 13.869 0.387 2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.966 0.638 4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 123 15.017 2.027 4.534 1.00 0.00 H new ATOM 483 N ALA A 124 11.717 2.098 4.190 1.00 0.00 N ATOM 484 CA ALA A 124 10.529 2.894 4.468 1.00 0.00 C ATOM 485 C ALA A 124 9.284 2.017 4.559 1.00 0.00 C ATOM 486 O ALA A 124 9.126 1.063 3.798 1.00 0.00 O ATOM 487 CB ALA A 124 10.348 3.957 3.395 1.00 0.00 C ATOM 0 H ALA A 124 11.532 1.222 3.702 1.00 0.00 H new ATOM 0 HA ALA A 124 10.667 3.381 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.457 4.546 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.220 4.611 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.237 3.477 2.423 1.00 0.00 H new ATOM 493 N ARG A 125 8.404 2.352 5.498 1.00 0.00 N ATOM 494 CA ARG A 125 7.170 1.598 5.698 1.00 0.00 C ATOM 495 C ARG A 125 5.966 2.409 5.228 1.00 0.00 C ATOM 496 O ARG A 125 5.920 3.626 5.407 1.00 0.00 O ATOM 497 CB ARG A 125 7.014 1.223 7.173 1.00 0.00 C ATOM 498 CG ARG A 125 5.811 0.338 7.455 1.00 0.00 C ATOM 499 CD ARG A 125 5.747 -0.060 8.922 1.00 0.00 C ATOM 500 NE ARG A 125 4.624 -0.951 9.204 1.00 0.00 N ATOM 501 CZ ARG A 125 4.493 -2.165 8.678 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.418 -2.641 7.855 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.438 -2.909 8.981 1.00 0.00 N ATOM 0 H ARG A 125 8.522 3.141 6.133 1.00 0.00 H new ATOM 0 HA ARG A 125 7.222 0.684 5.107 1.00 0.00 H new ATOM 0 HB2 ARG A 125 7.917 0.711 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 125 6.929 2.135 7.764 1.00 0.00 H new ATOM 0 HG2 ARG A 125 4.897 0.864 7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.863 -0.557 6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.678 -0.551 9.204 1.00 0.00 H new ATOM 0 HD3 ARG A 125 5.661 0.836 9.536 1.00 0.00 H new ATOM 0 HE ARG A 125 3.898 -0.623 9.841 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.234 -2.075 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.313 -3.573 7.454 1.00 0.00 H new ATOM 0 HH21 ARG A 125 2.727 -2.550 9.618 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.338 -3.840 8.577 1.00 0.00 H new ATOM 517 N VAL A 126 4.999 1.733 4.614 1.00 0.00 N ATOM 518 CA VAL A 126 3.806 2.402 4.106 1.00 0.00 C ATOM 519 C VAL A 126 2.529 1.690 4.547 1.00 0.00 C ATOM 520 O VAL A 126 2.464 0.458 4.568 1.00 0.00 O ATOM 521 CB VAL A 126 3.826 2.487 2.570 1.00 0.00 C ATOM 522 CG1 VAL A 126 5.090 3.179 2.089 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.704 1.102 1.956 1.00 0.00 C ATOM 0 H VAL A 126 5.018 0.725 4.457 1.00 0.00 H new ATOM 0 HA VAL A 126 3.812 3.408 4.524 1.00 0.00 H new ATOM 0 HB VAL A 126 2.970 3.079 2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 126 5.085 3.229 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 126 5.131 4.188 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.962 2.617 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.720 1.183 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.538 0.483 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.766 0.645 2.272 1.00 0.00 H new ATOM 533 N GLU A 127 1.515 2.477 4.896 1.00 0.00 N ATOM 534 CA GLU A 127 0.234 1.933 5.333 1.00 0.00 C ATOM 535 C GLU A 127 -0.815 2.040 4.227 1.00 0.00 C ATOM 536 O GLU A 127 -1.072 3.126 3.706 1.00 0.00 O ATOM 537 CB GLU A 127 -0.253 2.672 6.582 1.00 0.00 C ATOM 538 CG GLU A 127 -1.597 2.182 7.095 1.00 0.00 C ATOM 539 CD GLU A 127 -2.073 2.949 8.312 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.239 4.183 8.210 1.00 0.00 O ATOM 541 OE2 GLU A 127 -2.282 2.316 9.369 1.00 0.00 O ATOM 0 H GLU A 127 1.557 3.496 4.884 1.00 0.00 H new ATOM 0 HA GLU A 127 0.378 0.879 5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.490 2.561 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.325 3.736 6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.339 2.271 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.522 1.123 7.344 1.00 0.00 H new ATOM 548 N PHE A 128 -1.425 0.909 3.883 1.00 0.00 N ATOM 549 CA PHE A 128 -2.455 0.876 2.850 1.00 0.00 C ATOM 550 C PHE A 128 -3.846 1.043 3.456 1.00 0.00 C ATOM 551 O PHE A 128 -4.125 0.528 4.539 1.00 0.00 O ATOM 552 CB PHE A 128 -2.396 -0.437 2.062 1.00 0.00 C ATOM 553 CG PHE A 128 -1.186 -0.574 1.184 1.00 0.00 C ATOM 554 CD1 PHE A 128 0.086 -0.619 1.728 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.325 -0.669 -0.192 1.00 0.00 C ATOM 556 CE1 PHE A 128 1.196 -0.754 0.916 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.220 -0.805 -1.008 1.00 0.00 C ATOM 558 CZ PHE A 128 1.043 -0.847 -0.453 1.00 0.00 C ATOM 0 H PHE A 128 -1.223 0.003 4.305 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.263 1.708 2.172 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.418 -1.270 2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.290 -0.517 1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.212 -0.548 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.311 -0.636 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 128 2.183 -0.787 1.352 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.343 -0.878 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.910 -0.952 -1.088 1.00 0.00 H new ATOM 568 N ARG A 129 -4.717 1.756 2.745 1.00 0.00 N ATOM 569 CA ARG A 129 -6.084 1.980 3.207 1.00 0.00 C ATOM 570 C ARG A 129 -6.921 2.661 2.128 1.00 0.00 C ATOM 571 O ARG A 129 -6.565 3.731 1.635 1.00 0.00 O ATOM 572 CB ARG A 129 -6.085 2.832 4.480 1.00 0.00 C ATOM 573 CG ARG A 129 -7.473 3.127 5.011 1.00 0.00 C ATOM 574 CD ARG A 129 -7.423 3.963 6.280 1.00 0.00 C ATOM 575 NE ARG A 129 -8.757 4.277 6.785 1.00 0.00 N ATOM 576 CZ ARG A 129 -9.623 3.360 7.210 1.00 0.00 C ATOM 577 NH1 ARG A 129 -9.293 2.076 7.207 1.00 0.00 N ATOM 578 NH2 ARG A 129 -10.821 3.730 7.644 1.00 0.00 N ATOM 0 H ARG A 129 -4.500 2.188 1.847 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.527 1.009 3.427 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.511 2.318 5.252 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.575 3.774 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -8.049 3.654 4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.992 2.190 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.863 3.426 7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.884 4.889 6.082 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.042 5.256 6.814 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -8.372 1.787 6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -9.960 1.377 7.534 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -11.078 4.717 7.652 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -11.485 3.027 7.970 1.00 0.00 H new ATOM 592 N CYS A 130 -8.038 2.032 1.768 1.00 0.00 N ATOM 593 CA CYS A 130 -8.929 2.576 0.747 1.00 0.00 C ATOM 594 C CYS A 130 -9.983 3.503 1.347 1.00 0.00 C ATOM 595 O CYS A 130 -10.454 3.291 2.465 1.00 0.00 O ATOM 596 CB CYS A 130 -9.607 1.449 -0.035 1.00 0.00 C ATOM 597 SG CYS A 130 -8.514 0.615 -1.229 1.00 0.00 S ATOM 0 H CYS A 130 -8.347 1.146 2.168 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.315 3.165 0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.989 0.710 0.670 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.467 1.856 -0.568 1.00 0.00 H new ATOM 602 N ASP A 131 -10.345 4.531 0.583 1.00 0.00 N ATOM 603 CA ASP A 131 -11.343 5.510 1.004 1.00 0.00 C ATOM 604 C ASP A 131 -12.667 4.834 1.373 1.00 0.00 C ATOM 605 O ASP A 131 -12.872 3.658 1.074 1.00 0.00 O ATOM 606 CB ASP A 131 -11.572 6.525 -0.117 1.00 0.00 C ATOM 607 CG ASP A 131 -10.319 7.309 -0.455 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.788 7.992 0.445 1.00 0.00 O ATOM 609 OD2 ASP A 131 -9.871 7.240 -1.618 1.00 0.00 O ATOM 0 H ASP A 131 -9.956 4.708 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 131 -10.967 6.020 1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -11.922 6.004 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.361 7.217 0.179 1.00 0.00 H new ATOM 614 N PRO A 132 -13.590 5.574 2.028 1.00 0.00 N ATOM 615 CA PRO A 132 -14.899 5.052 2.434 1.00 0.00 C ATOM 616 C PRO A 132 -15.574 4.250 1.326 1.00 0.00 C ATOM 617 O PRO A 132 -15.219 4.380 0.153 1.00 0.00 O ATOM 618 CB PRO A 132 -15.720 6.311 2.761 1.00 0.00 C ATOM 619 CG PRO A 132 -14.855 7.476 2.388 1.00 0.00 C ATOM 620 CD PRO A 132 -13.441 6.980 2.425 1.00 0.00 C ATOM 0 HA PRO A 132 -14.810 4.363 3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.655 6.324 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.982 6.342 3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.111 7.848 1.396 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.995 8.303 3.084 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.799 7.531 1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.002 7.078 3.418 1.00 0.00 H new ATOM 628 N ASP A 133 -16.534 3.407 1.713 1.00 0.00 N ATOM 629 CA ASP A 133 -17.258 2.553 0.771 1.00 0.00 C ATOM 630 C ASP A 133 -16.404 1.352 0.384 1.00 0.00 C ATOM 631 O ASP A 133 -16.908 0.240 0.240 1.00 0.00 O ATOM 632 CB ASP A 133 -17.678 3.332 -0.481 1.00 0.00 C ATOM 633 CG ASP A 133 -18.630 4.469 -0.165 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.243 5.372 0.606 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.764 4.456 -0.689 1.00 0.00 O ATOM 0 H ASP A 133 -16.830 3.298 2.683 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.163 2.201 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -16.790 3.731 -0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.153 2.650 -1.187 1.00 0.00 H new ATOM 640 N PHE A 134 -15.105 1.578 0.237 1.00 0.00 N ATOM 641 CA PHE A 134 -14.182 0.508 -0.111 1.00 0.00 C ATOM 642 C PHE A 134 -13.315 0.164 1.092 1.00 0.00 C ATOM 643 O PHE A 134 -12.676 1.039 1.676 1.00 0.00 O ATOM 644 CB PHE A 134 -13.291 0.917 -1.287 1.00 0.00 C ATOM 645 CG PHE A 134 -14.052 1.366 -2.505 1.00 0.00 C ATOM 646 CD1 PHE A 134 -14.775 2.551 -2.492 1.00 0.00 C ATOM 647 CD2 PHE A 134 -14.035 0.609 -3.664 1.00 0.00 C ATOM 648 CE1 PHE A 134 -15.469 2.966 -3.612 1.00 0.00 C ATOM 649 CE2 PHE A 134 -14.727 1.021 -4.788 1.00 0.00 C ATOM 650 CZ PHE A 134 -15.446 2.201 -4.762 1.00 0.00 C ATOM 0 H PHE A 134 -14.668 2.492 0.353 1.00 0.00 H new ATOM 0 HA PHE A 134 -14.764 -0.365 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -12.631 1.723 -0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -12.656 0.074 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -14.795 3.155 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -13.475 -0.314 -3.691 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -16.030 3.889 -3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -14.706 0.421 -5.686 1.00 0.00 H new ATOM 0 HZ PHE A 134 -15.988 2.524 -5.638 1.00 0.00 H new ATOM 660 N HIS A 135 -13.294 -1.110 1.463 1.00 0.00 N ATOM 661 CA HIS A 135 -12.499 -1.548 2.603 1.00 0.00 C ATOM 662 C HIS A 135 -11.427 -2.544 2.181 1.00 0.00 C ATOM 663 O HIS A 135 -11.713 -3.559 1.546 1.00 0.00 O ATOM 664 CB HIS A 135 -13.394 -2.152 3.695 1.00 0.00 C ATOM 665 CG HIS A 135 -14.292 -3.264 3.233 1.00 0.00 C ATOM 666 ND1 HIS A 135 -14.521 -3.781 2.000 1.00 0.00 N flip ATOM 667 CD2 HIS A 135 -15.098 -3.978 4.097 1.00 0.00 C flip ATOM 668 CE1 HIS A 135 -15.448 -4.783 2.143 1.00 0.00 C flip ATOM 669 NE2 HIS A 135 -15.779 -4.882 3.416 1.00 0.00 N flip ATOM 0 H HIS A 135 -13.814 -1.853 0.995 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.000 -0.670 3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.760 -2.527 4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.010 -1.359 4.119 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.162 -3.822 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -15.842 -5.392 1.343 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -16.448 -5.545 3.808 1.00 0.00 H new ATOM 678 N LEU A 136 -10.186 -2.242 2.542 1.00 0.00 N ATOM 679 CA LEU A 136 -9.062 -3.103 2.209 1.00 0.00 C ATOM 680 C LEU A 136 -9.100 -4.366 3.064 1.00 0.00 C ATOM 681 O LEU A 136 -9.250 -4.294 4.284 1.00 0.00 O ATOM 682 CB LEU A 136 -7.750 -2.338 2.411 1.00 0.00 C ATOM 683 CG LEU A 136 -6.503 -2.987 1.804 1.00 0.00 C ATOM 684 CD1 LEU A 136 -5.363 -1.983 1.748 1.00 0.00 C ATOM 685 CD2 LEU A 136 -6.088 -4.207 2.607 1.00 0.00 C ATOM 0 H LEU A 136 -9.934 -1.405 3.067 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.129 -3.402 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.863 -1.341 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.586 -2.210 3.481 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.741 -3.308 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -4.482 -2.457 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.657 -1.132 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.131 -1.639 2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -5.200 -4.653 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.867 -3.910 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.899 -4.935 2.608 1.00 0.00 H new ATOM 697 N VAL A 137 -8.981 -5.521 2.417 1.00 0.00 N ATOM 698 CA VAL A 137 -9.022 -6.798 3.121 1.00 0.00 C ATOM 699 C VAL A 137 -7.834 -7.682 2.748 1.00 0.00 C ATOM 700 O VAL A 137 -7.999 -8.724 2.113 1.00 0.00 O ATOM 701 CB VAL A 137 -10.329 -7.558 2.818 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.433 -8.816 3.668 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.536 -6.658 3.036 1.00 0.00 C ATOM 0 H VAL A 137 -8.856 -5.599 1.408 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.974 -6.571 4.186 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.313 -7.859 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.363 -9.335 3.437 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.589 -9.471 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.422 -8.544 4.723 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.448 -7.213 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.556 -6.321 4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.470 -5.794 2.375 1.00 0.00 H new ATOM 713 N GLY A 138 -6.636 -7.262 3.139 1.00 0.00 N ATOM 714 CA GLY A 138 -5.453 -8.038 2.825 1.00 0.00 C ATOM 715 C GLY A 138 -4.207 -7.481 3.474 1.00 0.00 C ATOM 716 O GLY A 138 -4.203 -7.180 4.668 1.00 0.00 O ATOM 0 H GLY A 138 -6.464 -6.404 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.600 -9.067 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.315 -8.064 1.744 1.00 0.00 H new ATOM 720 N SER A 139 -3.148 -7.342 2.683 1.00 0.00 N ATOM 721 CA SER A 139 -1.888 -6.812 3.169 1.00 0.00 C ATOM 722 C SER A 139 -1.996 -5.306 3.384 1.00 0.00 C ATOM 723 O SER A 139 -1.334 -4.520 2.706 1.00 0.00 O ATOM 724 CB SER A 139 -0.778 -7.125 2.171 1.00 0.00 C ATOM 725 OG SER A 139 -1.054 -6.546 0.910 1.00 0.00 O ATOM 0 H SER A 139 -3.143 -7.593 1.694 1.00 0.00 H new ATOM 0 HA SER A 139 -1.650 -7.281 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.173 -6.748 2.548 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.673 -8.205 2.065 1.00 0.00 H new ATOM 0 HG SER A 139 -0.831 -7.185 0.201 1.00 0.00 H new ATOM 731 N SER A 140 -2.848 -4.913 4.325 1.00 0.00 N ATOM 732 CA SER A 140 -3.069 -3.505 4.633 1.00 0.00 C ATOM 733 C SER A 140 -1.770 -2.813 5.047 1.00 0.00 C ATOM 734 O SER A 140 -1.753 -1.608 5.297 1.00 0.00 O ATOM 735 CB SER A 140 -4.117 -3.376 5.740 1.00 0.00 C ATOM 736 OG SER A 140 -4.405 -2.015 6.015 1.00 0.00 O ATOM 0 H SER A 140 -3.401 -5.556 4.892 1.00 0.00 H new ATOM 0 HA SER A 140 -3.433 -3.012 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.030 -3.891 5.442 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.756 -3.865 6.645 1.00 0.00 H new ATOM 0 HG SER A 140 -3.648 -1.458 5.738 1.00 0.00 H new ATOM 742 N ARG A 141 -0.683 -3.578 5.108 1.00 0.00 N ATOM 743 CA ARG A 141 0.619 -3.037 5.480 1.00 0.00 C ATOM 744 C ARG A 141 1.722 -3.664 4.630 1.00 0.00 C ATOM 745 O ARG A 141 1.723 -4.870 4.392 1.00 0.00 O ATOM 746 CB ARG A 141 0.900 -3.290 6.962 1.00 0.00 C ATOM 747 CG ARG A 141 -0.103 -2.631 7.893 1.00 0.00 C ATOM 748 CD ARG A 141 0.205 -2.936 9.350 1.00 0.00 C ATOM 749 NE ARG A 141 0.203 -4.372 9.624 1.00 0.00 N ATOM 750 CZ ARG A 141 -0.869 -5.151 9.495 1.00 0.00 C ATOM 751 NH1 ARG A 141 -2.028 -4.634 9.104 1.00 0.00 N ATOM 752 NH2 ARG A 141 -0.783 -6.447 9.759 1.00 0.00 N ATOM 0 H ARG A 141 -0.680 -4.577 4.904 1.00 0.00 H new ATOM 0 HA ARG A 141 0.604 -1.962 5.301 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.901 -4.365 7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.899 -2.925 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -0.093 -1.552 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 141 -1.108 -2.979 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 141 1.178 -2.519 9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.531 -2.445 9.986 1.00 0.00 H new ATOM 0 HE ARG A 141 1.075 -4.803 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.099 -3.637 8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -2.847 -5.234 9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 141 0.105 -6.848 10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.605 -7.043 9.660 1.00 0.00 H new ATOM 766 N SER A 142 2.654 -2.834 4.173 1.00 0.00 N ATOM 767 CA SER A 142 3.762 -3.301 3.345 1.00 0.00 C ATOM 768 C SER A 142 5.000 -2.444 3.582 1.00 0.00 C ATOM 769 O SER A 142 4.919 -1.216 3.603 1.00 0.00 O ATOM 770 CB SER A 142 3.376 -3.250 1.865 1.00 0.00 C ATOM 771 OG SER A 142 2.222 -4.030 1.609 1.00 0.00 O ATOM 0 H SER A 142 2.664 -1.832 4.362 1.00 0.00 H new ATOM 0 HA SER A 142 3.986 -4.332 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.193 -2.217 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.205 -3.613 1.258 1.00 0.00 H new ATOM 0 HG SER A 142 2.190 -4.782 2.236 1.00 0.00 H new ATOM 777 N VAL A 143 6.141 -3.096 3.766 1.00 0.00 N ATOM 778 CA VAL A 143 7.391 -2.385 4.005 1.00 0.00 C ATOM 779 C VAL A 143 8.449 -2.764 2.975 1.00 0.00 C ATOM 780 O VAL A 143 8.749 -3.941 2.775 1.00 0.00 O ATOM 781 CB VAL A 143 7.930 -2.665 5.424 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.081 -4.161 5.657 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.253 -1.947 5.646 1.00 0.00 C ATOM 0 H VAL A 143 6.227 -4.112 3.754 1.00 0.00 H new ATOM 0 HA VAL A 143 7.176 -1.321 3.913 1.00 0.00 H new ATOM 0 HB VAL A 143 7.209 -2.281 6.146 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.462 -4.336 6.663 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.111 -4.646 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.778 -4.574 4.928 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.617 -2.157 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 143 9.983 -2.296 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.108 -0.873 5.529 1.00 0.00 H new ATOM 793 N CYS A 144 9.012 -1.752 2.322 1.00 0.00 N ATOM 794 CA CYS A 144 10.037 -1.967 1.309 1.00 0.00 C ATOM 795 C CYS A 144 11.429 -1.742 1.892 1.00 0.00 C ATOM 796 O CYS A 144 11.640 -0.820 2.680 1.00 0.00 O ATOM 797 CB CYS A 144 9.810 -1.032 0.119 1.00 0.00 C ATOM 798 SG CYS A 144 11.035 -1.215 -1.217 1.00 0.00 S ATOM 0 H CYS A 144 8.774 -0.772 2.478 1.00 0.00 H new ATOM 0 HA CYS A 144 9.968 -3.000 0.967 1.00 0.00 H new ATOM 0 HB2 CYS A 144 8.815 -1.214 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 144 9.826 -0.001 0.473 1.00 0.00 H new ATOM 803 N SER A 145 12.378 -2.590 1.501 1.00 0.00 N ATOM 804 CA SER A 145 13.749 -2.478 1.990 1.00 0.00 C ATOM 805 C SER A 145 14.687 -3.401 1.215 1.00 0.00 C ATOM 806 O SER A 145 15.605 -3.989 1.787 1.00 0.00 O ATOM 807 CB SER A 145 13.803 -2.810 3.483 1.00 0.00 C ATOM 808 OG SER A 145 15.121 -2.688 3.987 1.00 0.00 O ATOM 0 H SER A 145 12.223 -3.359 0.849 1.00 0.00 H new ATOM 0 HA SER A 145 14.080 -1.451 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 145 13.138 -2.143 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.441 -3.825 3.646 1.00 0.00 H new ATOM 0 HG SER A 145 15.751 -3.102 3.360 1.00 0.00 H new ATOM 814 N GLN A 146 14.454 -3.511 -0.092 1.00 0.00 N ATOM 815 CA GLN A 146 15.278 -4.354 -0.957 1.00 0.00 C ATOM 816 C GLN A 146 14.747 -4.332 -2.388 1.00 0.00 C ATOM 817 O GLN A 146 14.586 -5.376 -3.022 1.00 0.00 O ATOM 818 CB GLN A 146 15.311 -5.794 -0.428 1.00 0.00 C ATOM 819 CG GLN A 146 16.291 -6.696 -1.164 1.00 0.00 C ATOM 820 CD GLN A 146 16.316 -8.105 -0.607 1.00 0.00 C ATOM 821 OE1 GLN A 146 15.303 -8.803 -0.606 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.480 -8.531 -0.129 1.00 0.00 N ATOM 0 H GLN A 146 13.699 -3.025 -0.576 1.00 0.00 H new ATOM 0 HA GLN A 146 16.293 -3.958 -0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 146 15.572 -5.777 0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.311 -6.222 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.024 -6.731 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.291 -6.267 -1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.295 -7.918 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 146 17.559 -9.471 0.259 1.00 0.00 H new ATOM 831 N GLY A 147 14.463 -3.132 -2.888 1.00 0.00 N ATOM 832 CA GLY A 147 13.941 -2.993 -4.237 1.00 0.00 C ATOM 833 C GLY A 147 12.700 -3.836 -4.454 1.00 0.00 C ATOM 834 O GLY A 147 12.484 -4.371 -5.541 1.00 0.00 O ATOM 0 H GLY A 147 14.585 -2.254 -2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.706 -1.946 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.708 -3.285 -4.955 1.00 0.00 H new ATOM 838 N GLN A 148 11.887 -3.950 -3.408 1.00 0.00 N ATOM 839 CA GLN A 148 10.655 -4.730 -3.462 1.00 0.00 C ATOM 840 C GLN A 148 9.904 -4.623 -2.139 1.00 0.00 C ATOM 841 O GLN A 148 10.517 -4.545 -1.074 1.00 0.00 O ATOM 842 CB GLN A 148 10.957 -6.199 -3.770 1.00 0.00 C ATOM 843 CG GLN A 148 9.712 -7.052 -3.947 1.00 0.00 C ATOM 844 CD GLN A 148 10.034 -8.505 -4.232 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.709 -8.823 -5.211 1.00 0.00 O ATOM 846 NE2 GLN A 148 9.548 -9.397 -3.377 1.00 0.00 N ATOM 0 H GLN A 148 12.062 -3.508 -2.506 1.00 0.00 H new ATOM 0 HA GLN A 148 10.032 -4.327 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.558 -6.255 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.560 -6.614 -2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.103 -6.989 -3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.114 -6.650 -4.765 1.00 0.00 H new ATOM 0 HE21 GLN A 148 8.993 -9.089 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 148 9.729 -10.391 -3.519 1.00 0.00 H new ATOM 855 N TRP A 149 8.579 -4.613 -2.210 1.00 0.00 N ATOM 856 CA TRP A 149 7.755 -4.506 -1.012 1.00 0.00 C ATOM 857 C TRP A 149 7.552 -5.877 -0.373 1.00 0.00 C ATOM 858 O TRP A 149 7.393 -6.880 -1.069 1.00 0.00 O ATOM 859 CB TRP A 149 6.409 -3.864 -1.350 1.00 0.00 C ATOM 860 CG TRP A 149 6.549 -2.584 -2.120 1.00 0.00 C ATOM 861 CD1 TRP A 149 6.827 -2.457 -3.450 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.449 -1.253 -1.601 1.00 0.00 C ATOM 863 NE1 TRP A 149 6.887 -1.129 -3.795 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.662 -0.370 -2.678 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.195 -0.721 -0.335 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.626 1.014 -2.524 1.00 0.00 C ATOM 867 CZ3 TRP A 149 6.163 0.654 -0.184 1.00 0.00 C ATOM 868 CH2 TRP A 149 6.377 1.506 -1.273 1.00 0.00 C ATOM 0 H TRP A 149 8.053 -4.677 -3.081 1.00 0.00 H new ATOM 0 HA TRP A 149 8.271 -3.870 -0.293 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.812 -4.568 -1.930 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.863 -3.669 -0.427 1.00 0.00 H new ATOM 0 HD1 TRP A 149 6.978 -3.281 -4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.069 -0.767 -4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.027 -1.371 0.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 6.789 1.675 -3.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 5.970 1.077 0.791 1.00 0.00 H new ATOM 0 HH2 TRP A 149 6.345 2.575 -1.122 1.00 0.00 H new ATOM 879 N SER A 150 7.582 -5.911 0.958 1.00 0.00 N ATOM 880 CA SER A 150 7.426 -7.158 1.702 1.00 0.00 C ATOM 881 C SER A 150 6.170 -7.918 1.284 1.00 0.00 C ATOM 882 O SER A 150 6.260 -9.015 0.731 1.00 0.00 O ATOM 883 CB SER A 150 7.381 -6.872 3.204 1.00 0.00 C ATOM 884 OG SER A 150 7.242 -8.070 3.948 1.00 0.00 O ATOM 0 H SER A 150 7.713 -5.087 1.544 1.00 0.00 H new ATOM 0 HA SER A 150 8.287 -7.785 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.292 -6.356 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.548 -6.204 3.425 1.00 0.00 H new ATOM 0 HG SER A 150 7.218 -7.860 4.905 1.00 0.00 H new ATOM 890 N THR A 151 5.002 -7.344 1.558 1.00 0.00 N ATOM 891 CA THR A 151 3.742 -7.995 1.211 1.00 0.00 C ATOM 892 C THR A 151 3.165 -7.454 -0.096 1.00 0.00 C ATOM 893 O THR A 151 3.133 -6.243 -0.316 1.00 0.00 O ATOM 894 CB THR A 151 2.697 -7.827 2.326 1.00 0.00 C ATOM 895 OG1 THR A 151 2.430 -6.438 2.540 1.00 0.00 O ATOM 896 CG2 THR A 151 3.181 -8.460 3.621 1.00 0.00 C ATOM 0 H THR A 151 4.901 -6.438 2.015 1.00 0.00 H new ATOM 0 HA THR A 151 3.968 -9.054 1.086 1.00 0.00 H new ATOM 0 HB THR A 151 1.781 -8.330 2.015 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.141 -6.299 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.425 -8.328 4.395 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.357 -9.524 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.109 -7.982 3.935 1.00 0.00 H new ATOM 904 N PRO A 152 2.684 -8.351 -0.979 1.00 0.00 N ATOM 905 CA PRO A 152 2.091 -7.961 -2.265 1.00 0.00 C ATOM 906 C PRO A 152 0.846 -7.102 -2.072 1.00 0.00 C ATOM 907 O PRO A 152 0.083 -7.315 -1.132 1.00 0.00 O ATOM 908 CB PRO A 152 1.721 -9.298 -2.921 1.00 0.00 C ATOM 909 CG PRO A 152 2.519 -10.325 -2.193 1.00 0.00 C ATOM 910 CD PRO A 152 2.671 -9.811 -0.792 1.00 0.00 C ATOM 0 HA PRO A 152 2.775 -7.361 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.653 -9.496 -2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.960 -9.294 -3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 152 2.014 -11.291 -2.202 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.491 -10.470 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.847 -10.129 -0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.591 -10.167 -0.328 1.00 0.00 H new ATOM 918 N LYS A 153 0.651 -6.128 -2.958 1.00 0.00 N ATOM 919 CA LYS A 153 -0.502 -5.234 -2.872 1.00 0.00 C ATOM 920 C LYS A 153 -1.793 -6.029 -2.664 1.00 0.00 C ATOM 921 O LYS A 153 -2.053 -7.002 -3.374 1.00 0.00 O ATOM 922 CB LYS A 153 -0.603 -4.382 -4.139 1.00 0.00 C ATOM 923 CG LYS A 153 -1.599 -3.239 -4.030 1.00 0.00 C ATOM 924 CD LYS A 153 -1.661 -2.431 -5.317 1.00 0.00 C ATOM 925 CE LYS A 153 -2.546 -1.207 -5.159 1.00 0.00 C ATOM 926 NZ LYS A 153 -2.605 -0.397 -6.408 1.00 0.00 N ATOM 0 H LYS A 153 1.275 -5.938 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.364 -4.577 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.381 -3.974 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -0.888 -5.022 -4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.588 -3.637 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -1.318 -2.587 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -0.656 -2.121 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -2.043 -3.057 -6.124 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -3.553 -1.521 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -2.169 -0.590 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -2.202 0.545 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.060 -0.872 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -3.595 -0.298 -6.711 1.00 0.00 H new ATOM 940 N PRO A 154 -2.617 -5.633 -1.673 1.00 0.00 N ATOM 941 CA PRO A 154 -3.877 -6.322 -1.362 1.00 0.00 C ATOM 942 C PRO A 154 -4.991 -6.017 -2.359 1.00 0.00 C ATOM 943 O PRO A 154 -4.734 -5.784 -3.541 1.00 0.00 O ATOM 944 CB PRO A 154 -4.233 -5.779 0.022 1.00 0.00 C ATOM 945 CG PRO A 154 -3.634 -4.415 0.054 1.00 0.00 C ATOM 946 CD PRO A 154 -2.376 -4.490 -0.770 1.00 0.00 C ATOM 0 HA PRO A 154 -3.765 -7.405 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.313 -5.742 0.168 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.826 -6.410 0.812 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.324 -3.677 -0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.412 -4.111 1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.207 -3.568 -1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.497 -4.651 -0.146 1.00 0.00 H new ATOM 954 N HIS A 155 -6.233 -6.024 -1.872 1.00 0.00 N ATOM 955 CA HIS A 155 -7.392 -5.753 -2.718 1.00 0.00 C ATOM 956 C HIS A 155 -8.553 -5.191 -1.900 1.00 0.00 C ATOM 957 O HIS A 155 -8.914 -5.738 -0.857 1.00 0.00 O ATOM 958 CB HIS A 155 -7.830 -7.033 -3.434 1.00 0.00 C ATOM 959 CG HIS A 155 -8.139 -8.165 -2.503 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.217 -8.689 -1.622 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.279 -8.874 -2.317 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.773 -9.672 -0.937 1.00 0.00 C ATOM 963 NE2 HIS A 155 -9.024 -9.803 -1.338 1.00 0.00 N ATOM 0 H HIS A 155 -6.460 -6.215 -0.896 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.103 -5.006 -3.457 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -8.712 -6.818 -4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.042 -7.343 -4.121 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.213 -8.735 -2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.287 -10.267 -0.178 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.693 -10.484 -0.979 1.00 0.00 H new ATOM 972 N CYS A 156 -9.133 -4.094 -2.381 1.00 0.00 N ATOM 973 CA CYS A 156 -10.255 -3.454 -1.699 1.00 0.00 C ATOM 974 C CYS A 156 -11.583 -3.853 -2.335 1.00 0.00 C ATOM 975 O CYS A 156 -11.715 -3.876 -3.559 1.00 0.00 O ATOM 976 CB CYS A 156 -10.087 -1.935 -1.719 1.00 0.00 C ATOM 977 SG CYS A 156 -8.665 -1.347 -0.743 1.00 0.00 S ATOM 0 H CYS A 156 -8.844 -3.629 -3.242 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.264 -3.794 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -9.971 -1.604 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -10.996 -1.472 -1.336 1.00 0.00 H new ATOM 982 N GLN A 157 -12.563 -4.175 -1.493 1.00 0.00 N ATOM 983 CA GLN A 157 -13.881 -4.584 -1.968 1.00 0.00 C ATOM 984 C GLN A 157 -14.896 -3.452 -1.825 1.00 0.00 C ATOM 985 O GLN A 157 -14.880 -2.710 -0.844 1.00 0.00 O ATOM 986 CB GLN A 157 -14.363 -5.816 -1.198 1.00 0.00 C ATOM 987 CG GLN A 157 -15.708 -6.349 -1.674 1.00 0.00 C ATOM 988 CD GLN A 157 -15.666 -6.908 -3.088 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.478 -6.950 -3.686 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -16.693 -7.308 -3.635 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.468 -4.160 -0.478 1.00 0.00 H new ATOM 0 HA GLN A 157 -13.793 -4.832 -3.026 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.617 -6.605 -1.289 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.435 -5.566 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -16.044 -7.130 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -16.445 -5.548 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -17.585 -7.259 -3.143 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -16.652 -7.689 -4.580 1.00 0.00 H new ATOM 999 N VAL A 158 -15.776 -3.332 -2.815 1.00 0.00 N ATOM 1000 CA VAL A 158 -16.806 -2.297 -2.812 1.00 0.00 C ATOM 1001 C VAL A 158 -17.854 -2.569 -1.735 1.00 0.00 C ATOM 1002 O VAL A 158 -18.937 -3.078 -2.027 1.00 0.00 O ATOM 1003 CB VAL A 158 -17.504 -2.198 -4.183 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.532 -1.075 -4.184 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -16.482 -1.989 -5.291 1.00 0.00 C ATOM 0 H VAL A 158 -15.796 -3.941 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 158 -16.308 -1.351 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.024 -3.137 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.013 -1.023 -5.161 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -19.284 -1.270 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -18.036 -0.128 -3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -16.994 -1.922 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -15.931 -1.066 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -15.788 -2.829 -5.309 1.00 0.00 H new ATOM 1015 N ASN A 159 -17.521 -2.229 -0.491 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.424 -2.432 0.639 1.00 0.00 C ATOM 1017 C ASN A 159 -18.688 -3.916 0.884 1.00 0.00 C ATOM 1018 O ASN A 159 -19.075 -4.617 -0.074 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.741 -1.694 0.403 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.601 -0.192 0.551 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -19.312 0.312 1.636 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.795 0.532 -0.545 1.00 0.00 N ATOM 1023 OXT ASN A 159 -18.508 -4.364 2.036 1.00 0.00 O ATOM 0 H ASN A 159 -16.626 -1.809 -0.240 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.941 -2.027 1.528 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.108 -1.924 -0.597 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.488 -2.057 1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.706 1.547 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.033 0.073 -1.424 1.00 0.00 H new TER 1030 ASN A 159