USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=16 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 146 GLN : amide:sc=0.000948 K(o=0.00095,f=-1.1) USER MOD Set 1.2: A 148 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0.00095) USER MOD Set 2.1: A 135 HIS : no HD1:sc= -1.18 K(o=-1.9,f=-7.2!) USER MOD Set 2.2: A 159 ASN : amide:sc= -0.685 K(o=-1.9,f=-3.7) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 166:sc= -0.0357 (180deg=-0.267) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 127:sc= -0.744 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.983 F(o=-2!,f=-0.98) USER MOD Single : A 110 LYS NZ :NH3+ -167:sc= -0.0466 (180deg=-0.235) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 139 SER OG : rot -178:sc= 0.878 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot -124:sc= 0.177 USER MOD Single : A 145 SER OG : rot 96:sc= 1.25 USER MOD Single : A 150 SER OG : rot 59:sc= -0.795! USER MOD Single : A 151 THR OG1 : rot -136:sc= -0.725 USER MOD Single : A 153 LYS NZ :NH3+ -132:sc= -0.585 (180deg=-2.06!) USER MOD Single : A 155 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.78) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 25.614 -2.874 -15.601 1.00 0.00 N ATOM 2 CA GLU A 92 25.186 -1.813 -14.651 1.00 0.00 C ATOM 3 C GLU A 92 24.989 -2.379 -13.248 1.00 0.00 C ATOM 4 O GLU A 92 24.428 -3.462 -13.077 1.00 0.00 O ATOM 5 CB GLU A 92 23.883 -1.188 -15.160 1.00 0.00 C ATOM 6 CG GLU A 92 22.706 -2.154 -15.203 1.00 0.00 C ATOM 7 CD GLU A 92 22.919 -3.302 -16.171 1.00 0.00 C ATOM 8 OE1 GLU A 92 23.100 -3.034 -17.378 1.00 0.00 O ATOM 9 OE2 GLU A 92 22.905 -4.466 -15.722 1.00 0.00 O ATOM 0 HA GLU A 92 25.964 -1.052 -14.593 1.00 0.00 H new ATOM 0 HB2 GLU A 92 23.623 -0.344 -14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 92 24.050 -0.790 -16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 92 22.535 -2.555 -14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 92 21.805 -1.609 -15.486 1.00 0.00 H new ATOM 18 N ALA A 93 25.453 -1.637 -12.246 1.00 0.00 N ATOM 19 CA ALA A 93 25.327 -2.060 -10.856 1.00 0.00 C ATOM 20 C ALA A 93 23.865 -2.272 -10.480 1.00 0.00 C ATOM 21 O ALA A 93 23.521 -3.245 -9.808 1.00 0.00 O ATOM 22 CB ALA A 93 25.967 -1.035 -9.933 1.00 0.00 C ATOM 0 H ALA A 93 25.920 -0.739 -12.372 1.00 0.00 H new ATOM 0 HA ALA A 93 25.848 -3.011 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 93 25.866 -1.363 -8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 93 27.024 -0.933 -10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 93 25.471 -0.073 -10.058 1.00 0.00 H new ATOM 28 N GLU A 94 23.010 -1.353 -10.920 1.00 0.00 N ATOM 29 CA GLU A 94 21.582 -1.431 -10.636 1.00 0.00 C ATOM 30 C GLU A 94 20.822 -0.345 -11.399 1.00 0.00 C ATOM 31 O GLU A 94 21.132 -0.065 -12.558 1.00 0.00 O ATOM 32 CB GLU A 94 21.336 -1.300 -9.130 1.00 0.00 C ATOM 33 CG GLU A 94 21.900 -0.022 -8.528 1.00 0.00 C ATOM 34 CD GLU A 94 21.664 0.071 -7.033 1.00 0.00 C ATOM 35 OE1 GLU A 94 22.142 -0.820 -6.300 1.00 0.00 O ATOM 36 OE2 GLU A 94 21.001 1.035 -6.596 1.00 0.00 O ATOM 0 H GLU A 94 23.284 -0.543 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 94 21.214 -2.402 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 94 20.263 -1.338 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 94 21.779 -2.157 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 94 22.971 0.028 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU A 94 21.444 0.838 -9.018 1.00 0.00 H new ATOM 43 N PHE A 95 19.833 0.267 -10.751 1.00 0.00 N ATOM 44 CA PHE A 95 19.045 1.319 -11.385 1.00 0.00 C ATOM 45 C PHE A 95 18.136 1.999 -10.357 1.00 0.00 C ATOM 46 O PHE A 95 18.582 2.336 -9.259 1.00 0.00 O ATOM 47 CB PHE A 95 18.221 0.734 -12.540 1.00 0.00 C ATOM 48 CG PHE A 95 17.730 1.761 -13.525 1.00 0.00 C ATOM 49 CD1 PHE A 95 18.573 2.764 -13.982 1.00 0.00 C ATOM 50 CD2 PHE A 95 16.428 1.720 -13.997 1.00 0.00 C ATOM 51 CE1 PHE A 95 18.125 3.705 -14.889 1.00 0.00 C ATOM 52 CE2 PHE A 95 15.974 2.659 -14.905 1.00 0.00 C ATOM 53 CZ PHE A 95 16.823 3.653 -15.351 1.00 0.00 C ATOM 0 H PHE A 95 19.560 0.053 -9.792 1.00 0.00 H new ATOM 0 HA PHE A 95 19.721 2.072 -11.789 1.00 0.00 H new ATOM 0 HB2 PHE A 95 18.828 -0.001 -13.069 1.00 0.00 H new ATOM 0 HB3 PHE A 95 17.363 0.202 -12.128 1.00 0.00 H new ATOM 0 HD1 PHE A 95 19.591 2.810 -13.625 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.760 0.945 -13.652 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.791 4.481 -15.237 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.957 2.615 -15.265 1.00 0.00 H new ATOM 0 HZ PHE A 95 16.470 4.388 -16.059 1.00 0.00 H new ATOM 63 N VAL A 96 16.868 2.203 -10.709 1.00 0.00 N ATOM 64 CA VAL A 96 15.921 2.846 -9.806 1.00 0.00 C ATOM 65 C VAL A 96 15.530 1.917 -8.661 1.00 0.00 C ATOM 66 O VAL A 96 15.085 0.791 -8.883 1.00 0.00 O ATOM 67 CB VAL A 96 14.647 3.287 -10.552 1.00 0.00 C ATOM 68 CG1 VAL A 96 13.665 3.947 -9.595 1.00 0.00 C ATOM 69 CG2 VAL A 96 14.998 4.226 -11.697 1.00 0.00 C ATOM 0 H VAL A 96 16.475 1.933 -11.611 1.00 0.00 H new ATOM 0 HA VAL A 96 16.420 3.726 -9.400 1.00 0.00 H new ATOM 0 HB VAL A 96 14.169 2.401 -10.970 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.772 4.251 -10.142 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.388 3.240 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.130 4.823 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 96 14.086 4.527 -12.213 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.501 5.109 -11.302 1.00 0.00 H new ATOM 0 HG23 VAL A 96 15.659 3.715 -12.397 1.00 0.00 H new ATOM 79 N ARG A 97 15.694 2.403 -7.435 1.00 0.00 N ATOM 80 CA ARG A 97 15.353 1.623 -6.249 1.00 0.00 C ATOM 81 C ARG A 97 13.899 1.838 -5.858 1.00 0.00 C ATOM 82 O ARG A 97 13.080 2.262 -6.674 1.00 0.00 O ATOM 83 CB ARG A 97 16.260 1.998 -5.068 1.00 0.00 C ATOM 84 CG ARG A 97 16.031 3.406 -4.525 1.00 0.00 C ATOM 85 CD ARG A 97 16.494 4.477 -5.500 1.00 0.00 C ATOM 86 NE ARG A 97 17.933 4.413 -5.749 1.00 0.00 N ATOM 87 CZ ARG A 97 18.853 4.728 -4.843 1.00 0.00 C ATOM 88 NH1 ARG A 97 18.488 5.168 -3.647 1.00 0.00 N ATOM 89 NH2 ARG A 97 20.141 4.614 -5.138 1.00 0.00 N ATOM 0 H ARG A 97 16.061 3.334 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 97 15.504 0.571 -6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 97 16.104 1.280 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 97 17.300 1.906 -5.380 1.00 0.00 H new ATOM 0 HG2 ARG A 97 14.971 3.544 -4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 97 16.563 3.521 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 97 15.959 4.364 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 97 16.239 5.460 -5.105 1.00 0.00 H new ATOM 0 HE ARG A 97 18.249 4.109 -6.670 1.00 0.00 H new ATOM 0 HH11 ARG A 97 17.498 5.266 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 97 19.197 5.409 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 97 20.426 4.285 -6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 97 20.847 4.856 -4.443 1.00 0.00 H new ATOM 103 N ILE A 98 13.601 1.558 -4.595 1.00 0.00 N ATOM 104 CA ILE A 98 12.259 1.732 -4.056 1.00 0.00 C ATOM 105 C ILE A 98 11.248 0.802 -4.710 1.00 0.00 C ATOM 106 O ILE A 98 11.301 0.541 -5.912 1.00 0.00 O ATOM 107 CB ILE A 98 11.769 3.182 -4.232 1.00 0.00 C ATOM 108 CG1 ILE A 98 12.741 4.154 -3.570 1.00 0.00 C ATOM 109 CG2 ILE A 98 10.368 3.349 -3.658 1.00 0.00 C ATOM 110 CD1 ILE A 98 12.855 3.977 -2.072 1.00 0.00 C ATOM 0 H ILE A 98 14.279 1.206 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 98 12.330 1.488 -2.996 1.00 0.00 H new ATOM 0 HB ILE A 98 11.728 3.406 -5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 98 13.727 4.029 -4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.422 5.174 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.040 4.380 -3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.681 2.679 -4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.379 3.107 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.564 4.703 -1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.879 4.132 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 98 13.205 2.969 -1.850 1.00 0.00 H new ATOM 122 N CYS A 99 10.307 0.333 -3.903 1.00 0.00 N ATOM 123 CA CYS A 99 9.247 -0.539 -4.378 1.00 0.00 C ATOM 124 C CYS A 99 8.431 0.164 -5.457 1.00 0.00 C ATOM 125 O CYS A 99 8.483 1.387 -5.580 1.00 0.00 O ATOM 126 CB CYS A 99 8.353 -0.950 -3.208 1.00 0.00 C ATOM 127 SG CYS A 99 8.070 0.385 -2.003 1.00 0.00 S ATOM 0 H CYS A 99 10.258 0.546 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 99 9.688 -1.436 -4.813 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.392 -1.287 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.806 -1.800 -2.697 1.00 0.00 H new ATOM 132 N SER A 100 7.694 -0.615 -6.245 1.00 0.00 N ATOM 133 CA SER A 100 6.880 -0.067 -7.328 1.00 0.00 C ATOM 134 C SER A 100 6.201 1.236 -6.912 1.00 0.00 C ATOM 135 O SER A 100 5.587 1.322 -5.848 1.00 0.00 O ATOM 136 CB SER A 100 5.827 -1.086 -7.764 1.00 0.00 C ATOM 137 OG SER A 100 6.434 -2.281 -8.226 1.00 0.00 O ATOM 0 H SER A 100 7.643 -1.630 -6.154 1.00 0.00 H new ATOM 0 HA SER A 100 7.543 0.149 -8.166 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.165 -1.310 -6.927 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.209 -0.659 -8.554 1.00 0.00 H new ATOM 0 HG SER A 100 5.739 -2.917 -8.497 1.00 0.00 H new ATOM 143 N LYS A 101 6.310 2.245 -7.771 1.00 0.00 N ATOM 144 CA LYS A 101 5.709 3.542 -7.517 1.00 0.00 C ATOM 145 C LYS A 101 4.361 3.637 -8.216 1.00 0.00 C ATOM 146 O LYS A 101 4.227 4.236 -9.284 1.00 0.00 O ATOM 147 CB LYS A 101 6.639 4.677 -7.958 1.00 0.00 C ATOM 148 CG LYS A 101 7.078 4.596 -9.408 1.00 0.00 C ATOM 149 CD LYS A 101 7.951 5.781 -9.783 1.00 0.00 C ATOM 150 CE LYS A 101 8.402 5.707 -11.230 1.00 0.00 C ATOM 151 NZ LYS A 101 7.249 5.690 -12.173 1.00 0.00 N ATOM 0 H LYS A 101 6.814 2.184 -8.655 1.00 0.00 H new ATOM 0 HA LYS A 101 5.552 3.647 -6.443 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.133 5.629 -7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.524 4.674 -7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.627 3.669 -9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.202 4.567 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.399 6.706 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.824 5.812 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.042 6.561 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.004 4.810 -11.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.587 5.877 -13.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.789 4.758 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.565 6.423 -11.898 1.00 0.00 H new ATOM 165 N SER A 102 3.375 3.020 -7.597 1.00 0.00 N ATOM 166 CA SER A 102 2.018 2.985 -8.124 1.00 0.00 C ATOM 167 C SER A 102 1.045 2.558 -7.034 1.00 0.00 C ATOM 168 O SER A 102 -0.081 3.050 -6.968 1.00 0.00 O ATOM 169 CB SER A 102 1.936 2.020 -9.306 1.00 0.00 C ATOM 170 OG SER A 102 0.619 1.954 -9.823 1.00 0.00 O ATOM 0 H SER A 102 3.488 2.526 -6.712 1.00 0.00 H new ATOM 0 HA SER A 102 1.749 3.984 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.621 2.342 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.256 1.027 -8.991 1.00 0.00 H new ATOM 0 HG SER A 102 0.595 1.331 -10.579 1.00 0.00 H new ATOM 176 N TYR A 103 1.498 1.664 -6.158 1.00 0.00 N ATOM 177 CA TYR A 103 0.675 1.208 -5.045 1.00 0.00 C ATOM 178 C TYR A 103 0.234 2.404 -4.211 1.00 0.00 C ATOM 179 O TYR A 103 -0.804 2.372 -3.549 1.00 0.00 O ATOM 180 CB TYR A 103 1.447 0.215 -4.170 1.00 0.00 C ATOM 181 CG TYR A 103 1.594 -1.164 -4.774 1.00 0.00 C ATOM 182 CD1 TYR A 103 1.937 -1.336 -6.111 1.00 0.00 C ATOM 183 CD2 TYR A 103 1.388 -2.300 -4.000 1.00 0.00 C ATOM 184 CE1 TYR A 103 2.070 -2.599 -6.656 1.00 0.00 C ATOM 185 CE2 TYR A 103 1.518 -3.565 -4.538 1.00 0.00 C ATOM 186 CZ TYR A 103 1.860 -3.709 -5.866 1.00 0.00 C ATOM 187 OH TYR A 103 1.992 -4.969 -6.406 1.00 0.00 O ATOM 0 H TYR A 103 2.426 1.244 -6.198 1.00 0.00 H new ATOM 0 HA TYR A 103 -0.203 0.701 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.439 0.619 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.941 0.126 -3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 103 2.102 -0.469 -6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.121 -2.191 -2.959 1.00 0.00 H new ATOM 0 HE1 TYR A 103 2.337 -2.716 -7.696 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.353 -4.437 -3.922 1.00 0.00 H new ATOM 0 HH TYR A 103 2.610 -5.496 -5.858 1.00 0.00 H new ATOM 197 N LEU A 104 1.041 3.462 -4.260 1.00 0.00 N ATOM 198 CA LEU A 104 0.763 4.692 -3.527 1.00 0.00 C ATOM 199 C LEU A 104 -0.664 5.162 -3.786 1.00 0.00 C ATOM 200 O LEU A 104 -1.380 5.550 -2.863 1.00 0.00 O ATOM 201 CB LEU A 104 1.754 5.779 -3.948 1.00 0.00 C ATOM 202 CG LEU A 104 3.231 5.400 -3.805 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.120 6.464 -4.433 1.00 0.00 C ATOM 204 CD2 LEU A 104 3.592 5.199 -2.341 1.00 0.00 C ATOM 0 H LEU A 104 1.902 3.490 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 104 0.873 4.495 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.561 6.042 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 104 1.565 6.672 -3.353 1.00 0.00 H new ATOM 0 HG LEU A 104 3.396 4.460 -4.332 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.166 6.177 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.881 6.559 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.951 7.419 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.645 4.930 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.409 6.122 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.980 4.400 -1.922 1.00 0.00 H new ATOM 216 N THR A 105 -1.072 5.115 -5.049 1.00 0.00 N ATOM 217 CA THR A 105 -2.416 5.526 -5.436 1.00 0.00 C ATOM 218 C THR A 105 -3.362 4.332 -5.442 1.00 0.00 C ATOM 219 O THR A 105 -2.991 3.237 -5.866 1.00 0.00 O ATOM 220 CB THR A 105 -2.424 6.187 -6.827 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.884 5.287 -7.802 1.00 0.00 O ATOM 222 CG2 THR A 105 -1.618 7.477 -6.817 1.00 0.00 C ATOM 0 H THR A 105 -0.490 4.796 -5.823 1.00 0.00 H new ATOM 0 HA THR A 105 -2.755 6.256 -4.701 1.00 0.00 H new ATOM 0 HB THR A 105 -3.456 6.424 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.894 5.715 -8.684 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.638 7.926 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 105 -2.051 8.171 -6.096 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.587 7.260 -6.538 1.00 0.00 H new ATOM 230 N LEU A 106 -4.583 4.543 -4.961 1.00 0.00 N ATOM 231 CA LEU A 106 -5.574 3.475 -4.907 1.00 0.00 C ATOM 232 C LEU A 106 -6.970 4.004 -5.212 1.00 0.00 C ATOM 233 O LEU A 106 -7.387 5.031 -4.679 1.00 0.00 O ATOM 234 CB LEU A 106 -5.562 2.815 -3.525 1.00 0.00 C ATOM 235 CG LEU A 106 -6.572 1.679 -3.334 1.00 0.00 C ATOM 236 CD1 LEU A 106 -6.376 0.603 -4.391 1.00 0.00 C ATOM 237 CD2 LEU A 106 -6.446 1.085 -1.938 1.00 0.00 C ATOM 0 H LEU A 106 -4.909 5.441 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.314 2.736 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.562 2.426 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.754 3.580 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.576 2.089 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.103 -0.194 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.516 1.036 -5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.368 0.195 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.170 0.279 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.439 0.691 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.638 1.859 -1.195 1.00 0.00 H new ATOM 249 N GLU A 107 -7.690 3.291 -6.071 1.00 0.00 N ATOM 250 CA GLU A 107 -9.042 3.686 -6.442 1.00 0.00 C ATOM 251 C GLU A 107 -9.982 3.542 -5.250 1.00 0.00 C ATOM 252 O GLU A 107 -10.012 2.499 -4.597 1.00 0.00 O ATOM 253 CB GLU A 107 -9.545 2.837 -7.610 1.00 0.00 C ATOM 254 CG GLU A 107 -10.932 3.227 -8.093 1.00 0.00 C ATOM 255 CD GLU A 107 -11.409 2.371 -9.250 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.731 2.360 -10.299 1.00 0.00 O ATOM 257 OE2 GLU A 107 -12.461 1.714 -9.108 1.00 0.00 O ATOM 0 H GLU A 107 -7.360 2.438 -6.522 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.022 4.731 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.843 2.923 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.556 1.790 -7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -11.638 3.141 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -10.925 4.273 -8.399 1.00 0.00 H new ATOM 264 N ASN A 108 -10.745 4.595 -4.972 1.00 0.00 N ATOM 265 CA ASN A 108 -11.684 4.584 -3.857 1.00 0.00 C ATOM 266 C ASN A 108 -10.970 4.272 -2.545 1.00 0.00 C ATOM 267 O ASN A 108 -11.514 3.582 -1.685 1.00 0.00 O ATOM 268 CB ASN A 108 -12.789 3.554 -4.102 1.00 0.00 C ATOM 269 CG ASN A 108 -13.630 3.884 -5.319 1.00 0.00 C ATOM 270 OD1 ASN A 108 -13.643 2.979 -6.291 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -14.260 4.939 -5.386 1.00 0.00 N flip ATOM 0 H ASN A 108 -10.731 5.466 -5.503 1.00 0.00 H new ATOM 0 HA ASN A 108 -12.129 5.576 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -12.341 2.569 -4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -13.432 3.500 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -14.221 5.606 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -14.821 5.146 -6.212 1.00 0.00 H new ATOM 278 N GLY A 109 -9.752 4.785 -2.396 1.00 0.00 N ATOM 279 CA GLY A 109 -8.993 4.543 -1.182 1.00 0.00 C ATOM 280 C GLY A 109 -7.670 5.274 -1.157 1.00 0.00 C ATOM 281 O GLY A 109 -7.056 5.511 -2.196 1.00 0.00 O ATOM 0 H GLY A 109 -9.279 5.362 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.587 4.849 -0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.813 3.473 -1.080 1.00 0.00 H new ATOM 285 N LYS A 110 -7.234 5.630 0.042 1.00 0.00 N ATOM 286 CA LYS A 110 -5.975 6.341 0.226 1.00 0.00 C ATOM 287 C LYS A 110 -4.924 5.432 0.849 1.00 0.00 C ATOM 288 O LYS A 110 -5.220 4.654 1.757 1.00 0.00 O ATOM 289 CB LYS A 110 -6.184 7.570 1.108 1.00 0.00 C ATOM 290 CG LYS A 110 -7.199 8.553 0.548 1.00 0.00 C ATOM 291 CD LYS A 110 -7.433 9.717 1.498 1.00 0.00 C ATOM 292 CE LYS A 110 -7.974 9.246 2.839 1.00 0.00 C ATOM 293 NZ LYS A 110 -9.243 8.481 2.688 1.00 0.00 N ATOM 0 H LYS A 110 -7.737 5.437 0.908 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.621 6.660 -0.754 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.510 7.247 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.230 8.080 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.849 8.931 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.142 8.038 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.498 10.256 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.135 10.419 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.229 8.621 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.144 10.108 3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.693 8.368 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.885 8.996 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.038 7.544 2.287 1.00 0.00 H new ATOM 307 N VAL A 111 -3.694 5.538 0.360 1.00 0.00 N ATOM 308 CA VAL A 111 -2.598 4.729 0.875 1.00 0.00 C ATOM 309 C VAL A 111 -1.653 5.574 1.725 1.00 0.00 C ATOM 310 O VAL A 111 -1.097 6.566 1.251 1.00 0.00 O ATOM 311 CB VAL A 111 -1.803 4.077 -0.273 1.00 0.00 C ATOM 312 CG1 VAL A 111 -0.635 3.271 0.269 1.00 0.00 C ATOM 313 CG2 VAL A 111 -2.714 3.203 -1.122 1.00 0.00 C ATOM 0 H VAL A 111 -3.432 6.176 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 111 -3.035 3.945 1.494 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.401 4.869 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.089 2.820 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.031 3.927 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.009 2.486 0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.136 2.750 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.147 2.419 -0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.512 3.813 -1.546 1.00 0.00 H new ATOM 323 N PHE A 112 -1.478 5.179 2.983 1.00 0.00 N ATOM 324 CA PHE A 112 -0.603 5.904 3.898 1.00 0.00 C ATOM 325 C PHE A 112 0.855 5.493 3.711 1.00 0.00 C ATOM 326 O PHE A 112 1.192 4.313 3.797 1.00 0.00 O ATOM 327 CB PHE A 112 -1.028 5.665 5.350 1.00 0.00 C ATOM 328 CG PHE A 112 -2.342 6.300 5.720 1.00 0.00 C ATOM 329 CD1 PHE A 112 -3.482 6.075 4.962 1.00 0.00 C ATOM 330 CD2 PHE A 112 -2.435 7.121 6.832 1.00 0.00 C ATOM 331 CE1 PHE A 112 -4.686 6.658 5.308 1.00 0.00 C ATOM 332 CE2 PHE A 112 -3.637 7.706 7.183 1.00 0.00 C ATOM 333 CZ PHE A 112 -4.764 7.475 6.419 1.00 0.00 C ATOM 0 H PHE A 112 -1.930 4.361 3.391 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.693 6.966 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.094 4.591 5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -0.252 6.049 6.012 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -3.428 5.437 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.557 7.306 7.433 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -5.566 6.475 4.710 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.695 8.343 8.053 1.00 0.00 H new ATOM 0 HZ PHE A 112 -5.704 7.932 6.690 1.00 0.00 H new ATOM 343 N LEU A 113 1.713 6.479 3.465 1.00 0.00 N ATOM 344 CA LEU A 113 3.140 6.232 3.274 1.00 0.00 C ATOM 345 C LEU A 113 3.862 6.202 4.620 1.00 0.00 C ATOM 346 O LEU A 113 3.504 6.936 5.542 1.00 0.00 O ATOM 347 CB LEU A 113 3.742 7.308 2.354 1.00 0.00 C ATOM 348 CG LEU A 113 5.230 7.146 1.998 1.00 0.00 C ATOM 349 CD1 LEU A 113 6.118 7.562 3.161 1.00 0.00 C ATOM 350 CD2 LEU A 113 5.531 5.713 1.581 1.00 0.00 C ATOM 0 H LEU A 113 1.444 7.460 3.393 1.00 0.00 H new ATOM 0 HA LEU A 113 3.269 5.259 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.168 7.326 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.608 8.279 2.830 1.00 0.00 H new ATOM 0 HG LEU A 113 5.447 7.802 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.164 7.438 2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.930 8.607 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.897 6.940 4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.589 5.621 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.290 5.037 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.930 5.454 0.709 1.00 0.00 H new ATOM 362 N THR A 114 4.876 5.349 4.726 1.00 0.00 N ATOM 363 CA THR A 114 5.646 5.223 5.960 1.00 0.00 C ATOM 364 C THR A 114 7.045 4.679 5.675 1.00 0.00 C ATOM 365 O THR A 114 7.406 3.588 6.120 1.00 0.00 O ATOM 366 CB THR A 114 4.937 4.304 6.975 1.00 0.00 C ATOM 367 OG1 THR A 114 3.587 4.740 7.170 1.00 0.00 O ATOM 368 CG2 THR A 114 5.666 4.304 8.311 1.00 0.00 C ATOM 0 H THR A 114 5.184 4.734 3.973 1.00 0.00 H new ATOM 0 HA THR A 114 5.728 6.221 6.391 1.00 0.00 H new ATOM 0 HB THR A 114 4.941 3.290 6.575 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.143 4.151 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.146 3.648 9.009 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.686 3.947 8.169 1.00 0.00 H new ATOM 0 HG23 THR A 114 5.689 5.317 8.713 1.00 0.00 H new ATOM 376 N GLY A 115 7.829 5.445 4.920 1.00 0.00 N ATOM 377 CA GLY A 115 9.173 5.031 4.578 1.00 0.00 C ATOM 378 C GLY A 115 10.033 6.195 4.127 1.00 0.00 C ATOM 379 O GLY A 115 10.483 6.997 4.945 1.00 0.00 O ATOM 0 H GLY A 115 7.552 6.350 4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 115 9.635 4.553 5.442 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.131 4.284 3.785 1.00 0.00 H new ATOM 383 N GLY A 116 10.264 6.285 2.822 1.00 0.00 N ATOM 384 CA GLY A 116 11.075 7.364 2.286 1.00 0.00 C ATOM 385 C GLY A 116 11.485 7.129 0.844 1.00 0.00 C ATOM 386 O GLY A 116 10.646 6.826 -0.004 1.00 0.00 O ATOM 0 H GLY A 116 9.905 5.631 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 116 10.519 8.299 2.353 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.969 7.480 2.899 1.00 0.00 H new ATOM 390 N ASP A 117 12.780 7.271 0.568 1.00 0.00 N ATOM 391 CA ASP A 117 13.304 7.076 -0.781 1.00 0.00 C ATOM 392 C ASP A 117 14.747 6.575 -0.742 1.00 0.00 C ATOM 393 O ASP A 117 15.612 7.079 -1.459 1.00 0.00 O ATOM 394 CB ASP A 117 13.225 8.381 -1.579 1.00 0.00 C ATOM 395 CG ASP A 117 11.799 8.852 -1.784 1.00 0.00 C ATOM 396 OD1 ASP A 117 11.010 8.104 -2.399 1.00 0.00 O ATOM 397 OD2 ASP A 117 11.472 9.968 -1.331 1.00 0.00 O ATOM 0 H ASP A 117 13.485 7.520 1.261 1.00 0.00 H new ATOM 0 HA ASP A 117 12.691 6.321 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.789 9.156 -1.059 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.700 8.239 -2.550 1.00 0.00 H new ATOM 402 N LEU A 118 14.993 5.575 0.099 1.00 0.00 N ATOM 403 CA LEU A 118 16.322 4.992 0.237 1.00 0.00 C ATOM 404 C LEU A 118 16.445 3.720 -0.595 1.00 0.00 C ATOM 405 O LEU A 118 15.447 3.054 -0.872 1.00 0.00 O ATOM 406 CB LEU A 118 16.632 4.685 1.705 1.00 0.00 C ATOM 407 CG LEU A 118 16.865 5.908 2.595 1.00 0.00 C ATOM 408 CD1 LEU A 118 15.595 6.735 2.718 1.00 0.00 C ATOM 409 CD2 LEU A 118 17.358 5.476 3.965 1.00 0.00 C ATOM 0 H LEU A 118 14.285 5.150 0.698 1.00 0.00 H new ATOM 0 HA LEU A 118 17.045 5.722 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.807 4.106 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 118 17.518 4.052 1.747 1.00 0.00 H new ATOM 0 HG LEU A 118 17.630 6.531 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.784 7.599 3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.284 7.074 1.730 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.805 6.126 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.520 6.356 4.588 1.00 0.00 H new ATOM 0 HD22 LEU A 118 16.614 4.832 4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 118 18.295 4.930 3.859 1.00 0.00 H new ATOM 421 N PRO A 119 17.675 3.362 -1.006 1.00 0.00 N ATOM 422 CA PRO A 119 17.917 2.162 -1.810 1.00 0.00 C ATOM 423 C PRO A 119 17.192 0.941 -1.252 1.00 0.00 C ATOM 424 O PRO A 119 17.400 0.563 -0.099 1.00 0.00 O ATOM 425 CB PRO A 119 19.430 1.974 -1.709 1.00 0.00 C ATOM 426 CG PRO A 119 19.970 3.346 -1.491 1.00 0.00 C ATOM 427 CD PRO A 119 18.920 4.100 -0.717 1.00 0.00 C ATOM 0 HA PRO A 119 17.553 2.270 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 119 19.692 1.310 -0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.835 1.529 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 119 20.909 3.310 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 119 20.178 3.837 -2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.140 4.111 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.854 5.139 -1.040 1.00 0.00 H new ATOM 435 N ALA A 120 16.341 0.337 -2.084 1.00 0.00 N ATOM 436 CA ALA A 120 15.564 -0.841 -1.695 1.00 0.00 C ATOM 437 C ALA A 120 14.442 -0.477 -0.725 1.00 0.00 C ATOM 438 O ALA A 120 13.327 -0.987 -0.837 1.00 0.00 O ATOM 439 CB ALA A 120 16.465 -1.908 -1.093 1.00 0.00 C ATOM 0 H ALA A 120 16.172 0.648 -3.040 1.00 0.00 H new ATOM 0 HA ALA A 120 15.105 -1.244 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.866 -2.774 -0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 120 17.214 -2.208 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 120 16.962 -1.508 -0.209 1.00 0.00 H new ATOM 445 N LEU A 121 14.739 0.412 0.221 1.00 0.00 N ATOM 446 CA LEU A 121 13.758 0.851 1.203 1.00 0.00 C ATOM 447 C LEU A 121 13.237 -0.330 2.020 1.00 0.00 C ATOM 448 O LEU A 121 12.029 -0.526 2.150 1.00 0.00 O ATOM 449 CB LEU A 121 12.605 1.577 0.505 1.00 0.00 C ATOM 450 CG LEU A 121 11.720 2.423 1.421 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.567 3.394 2.230 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.676 3.172 0.605 1.00 0.00 C ATOM 0 H LEU A 121 15.658 0.843 0.326 1.00 0.00 H new ATOM 0 HA LEU A 121 14.243 1.544 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 121 13.019 2.221 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.980 0.837 0.005 1.00 0.00 H new ATOM 0 HG LEU A 121 11.203 1.760 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.922 3.988 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.277 2.836 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 121 13.110 4.054 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.054 3.770 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 121 11.174 3.826 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 121 10.051 2.457 0.069 1.00 0.00 H new ATOM 464 N ASP A 122 14.166 -1.113 2.565 1.00 0.00 N ATOM 465 CA ASP A 122 13.824 -2.283 3.374 1.00 0.00 C ATOM 466 C ASP A 122 13.292 -1.871 4.747 1.00 0.00 C ATOM 467 O ASP A 122 13.927 -2.127 5.771 1.00 0.00 O ATOM 468 CB ASP A 122 15.049 -3.188 3.534 1.00 0.00 C ATOM 469 CG ASP A 122 14.772 -4.396 4.408 1.00 0.00 C ATOM 470 OD1 ASP A 122 13.866 -5.184 4.064 1.00 0.00 O ATOM 471 OD2 ASP A 122 15.461 -4.555 5.437 1.00 0.00 O ATOM 0 H ASP A 122 15.169 -0.957 2.460 1.00 0.00 H new ATOM 0 HA ASP A 122 13.037 -2.832 2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 122 15.379 -3.524 2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 122 15.868 -2.612 3.966 1.00 0.00 H new ATOM 476 N GLY A 123 12.129 -1.230 4.764 1.00 0.00 N ATOM 477 CA GLY A 123 11.541 -0.796 6.017 1.00 0.00 C ATOM 478 C GLY A 123 10.187 -0.143 5.830 1.00 0.00 C ATOM 479 O GLY A 123 9.290 -0.312 6.656 1.00 0.00 O ATOM 0 H GLY A 123 11.583 -1.003 3.933 1.00 0.00 H new ATOM 0 HA2 GLY A 123 11.438 -1.654 6.682 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.215 -0.093 6.506 1.00 0.00 H new ATOM 483 N ALA A 124 10.043 0.609 4.742 1.00 0.00 N ATOM 484 CA ALA A 124 8.793 1.297 4.443 1.00 0.00 C ATOM 485 C ALA A 124 7.605 0.346 4.502 1.00 0.00 C ATOM 486 O ALA A 124 7.748 -0.859 4.297 1.00 0.00 O ATOM 487 CB ALA A 124 8.865 1.954 3.075 1.00 0.00 C ATOM 0 H ALA A 124 10.779 0.757 4.052 1.00 0.00 H new ATOM 0 HA ALA A 124 8.649 2.065 5.203 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.924 2.464 2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 124 9.680 2.677 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.042 1.193 2.315 1.00 0.00 H new ATOM 493 N ARG A 125 6.433 0.902 4.782 1.00 0.00 N ATOM 494 CA ARG A 125 5.208 0.119 4.866 1.00 0.00 C ATOM 495 C ARG A 125 3.995 1.020 4.679 1.00 0.00 C ATOM 496 O ARG A 125 3.846 2.026 5.372 1.00 0.00 O ATOM 497 CB ARG A 125 5.128 -0.596 6.217 1.00 0.00 C ATOM 498 CG ARG A 125 3.852 -1.400 6.407 1.00 0.00 C ATOM 499 CD ARG A 125 3.799 -2.041 7.785 1.00 0.00 C ATOM 500 NE ARG A 125 3.890 -1.050 8.855 1.00 0.00 N ATOM 501 CZ ARG A 125 2.991 -0.088 9.057 1.00 0.00 C ATOM 502 NH1 ARG A 125 1.924 0.006 8.274 1.00 0.00 N ATOM 503 NH2 ARG A 125 3.158 0.778 10.047 1.00 0.00 N ATOM 0 H ARG A 125 6.306 1.899 4.956 1.00 0.00 H new ATOM 0 HA ARG A 125 5.217 -0.629 4.073 1.00 0.00 H new ATOM 0 HB2 ARG A 125 5.985 -1.262 6.317 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.204 0.143 7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 125 2.987 -0.750 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.791 -2.174 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 125 2.870 -2.601 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.615 -2.756 7.883 1.00 0.00 H new ATOM 0 HE ARG A 125 4.690 -1.098 9.485 1.00 0.00 H new ATOM 0 HH11 ARG A 125 1.789 -0.660 7.513 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.238 0.744 8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.975 0.708 10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.470 1.515 10.202 1.00 0.00 H new ATOM 517 N VAL A 126 3.133 0.664 3.732 1.00 0.00 N ATOM 518 CA VAL A 126 1.945 1.460 3.458 1.00 0.00 C ATOM 519 C VAL A 126 0.677 0.761 3.936 1.00 0.00 C ATOM 520 O VAL A 126 0.502 -0.446 3.738 1.00 0.00 O ATOM 521 CB VAL A 126 1.815 1.783 1.958 1.00 0.00 C ATOM 522 CG1 VAL A 126 3.049 2.520 1.463 1.00 0.00 C ATOM 523 CG2 VAL A 126 1.581 0.518 1.149 1.00 0.00 C ATOM 0 H VAL A 126 3.235 -0.165 3.146 1.00 0.00 H new ATOM 0 HA VAL A 126 2.062 2.392 4.011 1.00 0.00 H new ATOM 0 HB VAL A 126 0.950 2.432 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 126 2.940 2.740 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 126 3.163 3.452 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 126 3.930 1.897 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.493 0.773 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 126 2.420 -0.164 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 126 0.662 0.036 1.484 1.00 0.00 H new ATOM 533 N GLU A 127 -0.204 1.534 4.565 1.00 0.00 N ATOM 534 CA GLU A 127 -1.463 1.007 5.074 1.00 0.00 C ATOM 535 C GLU A 127 -2.610 1.337 4.122 1.00 0.00 C ATOM 536 O GLU A 127 -2.943 2.505 3.916 1.00 0.00 O ATOM 537 CB GLU A 127 -1.754 1.583 6.461 1.00 0.00 C ATOM 538 CG GLU A 127 -3.057 1.090 7.069 1.00 0.00 C ATOM 539 CD GLU A 127 -3.328 1.689 8.436 1.00 0.00 C ATOM 540 OE1 GLU A 127 -2.491 2.483 8.914 1.00 0.00 O ATOM 541 OE2 GLU A 127 -4.377 1.362 9.030 1.00 0.00 O ATOM 0 H GLU A 127 -0.067 2.531 4.734 1.00 0.00 H new ATOM 0 HA GLU A 127 -1.375 -0.077 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.932 1.328 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.784 2.671 6.394 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.881 1.335 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.026 0.004 7.152 1.00 0.00 H new ATOM 548 N PHE A 128 -3.212 0.302 3.550 1.00 0.00 N ATOM 549 CA PHE A 128 -4.326 0.476 2.624 1.00 0.00 C ATOM 550 C PHE A 128 -5.629 0.716 3.378 1.00 0.00 C ATOM 551 O PHE A 128 -5.864 0.125 4.433 1.00 0.00 O ATOM 552 CB PHE A 128 -4.476 -0.747 1.714 1.00 0.00 C ATOM 553 CG PHE A 128 -3.268 -1.032 0.868 1.00 0.00 C ATOM 554 CD1 PHE A 128 -2.077 -1.440 1.447 1.00 0.00 C ATOM 555 CD2 PHE A 128 -3.324 -0.891 -0.510 1.00 0.00 C ATOM 556 CE1 PHE A 128 -0.967 -1.701 0.669 1.00 0.00 C ATOM 557 CE2 PHE A 128 -2.216 -1.152 -1.293 1.00 0.00 C ATOM 558 CZ PHE A 128 -1.036 -1.558 -0.702 1.00 0.00 C ATOM 0 H PHE A 128 -2.947 -0.670 3.711 1.00 0.00 H new ATOM 0 HA PHE A 128 -4.109 1.349 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.690 -1.621 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -5.337 -0.598 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -2.017 -1.555 2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -4.245 -0.573 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -0.044 -2.017 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -2.273 -1.039 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.168 -1.763 -1.312 1.00 0.00 H new ATOM 568 N ARG A 129 -6.475 1.578 2.827 1.00 0.00 N ATOM 569 CA ARG A 129 -7.760 1.889 3.442 1.00 0.00 C ATOM 570 C ARG A 129 -8.657 2.647 2.470 1.00 0.00 C ATOM 571 O ARG A 129 -8.319 3.741 2.020 1.00 0.00 O ATOM 572 CB ARG A 129 -7.560 2.713 4.716 1.00 0.00 C ATOM 573 CG ARG A 129 -8.856 3.162 5.360 1.00 0.00 C ATOM 574 CD ARG A 129 -8.610 3.913 6.658 1.00 0.00 C ATOM 575 NE ARG A 129 -9.847 4.434 7.235 1.00 0.00 N ATOM 576 CZ ARG A 129 -10.861 3.669 7.634 1.00 0.00 C ATOM 577 NH1 ARG A 129 -10.781 2.348 7.541 1.00 0.00 N ATOM 578 NH2 ARG A 129 -11.956 4.227 8.132 1.00 0.00 N ATOM 0 H ARG A 129 -6.294 2.075 1.955 1.00 0.00 H new ATOM 0 HA ARG A 129 -8.245 0.948 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.993 2.122 5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.959 3.591 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -9.403 3.802 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -9.485 2.293 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -8.128 3.248 7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.921 4.737 6.474 1.00 0.00 H new ATOM 0 HE ARG A 129 -9.939 5.445 7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -9.940 1.913 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -11.561 1.767 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -12.021 5.242 8.209 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -12.733 3.641 8.438 1.00 0.00 H new ATOM 592 N CYS A 130 -9.800 2.051 2.149 1.00 0.00 N ATOM 593 CA CYS A 130 -10.750 2.664 1.226 1.00 0.00 C ATOM 594 C CYS A 130 -11.749 3.562 1.948 1.00 0.00 C ATOM 595 O CYS A 130 -12.035 3.376 3.131 1.00 0.00 O ATOM 596 CB CYS A 130 -11.484 1.593 0.422 1.00 0.00 C ATOM 597 SG CYS A 130 -10.483 0.866 -0.913 1.00 0.00 S ATOM 0 H CYS A 130 -10.092 1.144 2.514 1.00 0.00 H new ATOM 0 HA CYS A 130 -10.178 3.292 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -11.804 0.800 1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -12.386 2.028 -0.008 1.00 0.00 H new ATOM 602 N ASP A 131 -12.274 4.540 1.214 1.00 0.00 N ATOM 603 CA ASP A 131 -13.244 5.489 1.749 1.00 0.00 C ATOM 604 C ASP A 131 -14.421 4.769 2.406 1.00 0.00 C ATOM 605 O ASP A 131 -14.690 3.605 2.108 1.00 0.00 O ATOM 606 CB ASP A 131 -13.760 6.397 0.630 1.00 0.00 C ATOM 607 CG ASP A 131 -14.509 5.629 -0.440 1.00 0.00 C ATOM 608 OD1 ASP A 131 -13.901 4.737 -1.067 1.00 0.00 O ATOM 609 OD2 ASP A 131 -15.706 5.918 -0.650 1.00 0.00 O ATOM 0 H ASP A 131 -12.039 4.696 0.234 1.00 0.00 H new ATOM 0 HA ASP A 131 -12.742 6.089 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -14.417 7.156 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.920 6.922 0.175 1.00 0.00 H new ATOM 614 N PRO A 132 -15.144 5.461 3.311 1.00 0.00 N ATOM 615 CA PRO A 132 -16.301 4.890 4.009 1.00 0.00 C ATOM 616 C PRO A 132 -17.259 4.183 3.056 1.00 0.00 C ATOM 617 O PRO A 132 -17.198 4.386 1.844 1.00 0.00 O ATOM 618 CB PRO A 132 -16.972 6.113 4.634 1.00 0.00 C ATOM 619 CG PRO A 132 -15.860 7.081 4.847 1.00 0.00 C ATOM 620 CD PRO A 132 -14.890 6.858 3.719 1.00 0.00 C ATOM 0 HA PRO A 132 -16.009 4.130 4.734 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -17.737 6.526 3.976 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -17.463 5.859 5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -16.230 8.106 4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -15.380 6.917 5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -15.064 7.553 2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -13.859 6.999 4.043 1.00 0.00 H new ATOM 628 N ASP A 133 -18.131 3.344 3.618 1.00 0.00 N ATOM 629 CA ASP A 133 -19.105 2.582 2.833 1.00 0.00 C ATOM 630 C ASP A 133 -18.441 1.382 2.163 1.00 0.00 C ATOM 631 O ASP A 133 -19.051 0.320 2.034 1.00 0.00 O ATOM 632 CB ASP A 133 -19.786 3.467 1.783 1.00 0.00 C ATOM 633 CG ASP A 133 -20.549 4.620 2.404 1.00 0.00 C ATOM 634 OD1 ASP A 133 -19.918 5.449 3.092 1.00 0.00 O ATOM 635 OD2 ASP A 133 -21.780 4.694 2.201 1.00 0.00 O ATOM 0 H ASP A 133 -18.183 3.174 4.622 1.00 0.00 H new ATOM 0 HA ASP A 133 -19.870 2.219 3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -19.033 3.860 1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -20.470 2.860 1.189 1.00 0.00 H new ATOM 640 N PHE A 134 -17.188 1.549 1.750 1.00 0.00 N ATOM 641 CA PHE A 134 -16.448 0.468 1.109 1.00 0.00 C ATOM 642 C PHE A 134 -15.404 -0.090 2.070 1.00 0.00 C ATOM 643 O PHE A 134 -14.597 0.660 2.622 1.00 0.00 O ATOM 644 CB PHE A 134 -15.754 0.961 -0.167 1.00 0.00 C ATOM 645 CG PHE A 134 -16.653 1.707 -1.112 1.00 0.00 C ATOM 646 CD1 PHE A 134 -17.068 2.999 -0.824 1.00 0.00 C ATOM 647 CD2 PHE A 134 -17.085 1.118 -2.290 1.00 0.00 C ATOM 648 CE1 PHE A 134 -17.894 3.687 -1.691 1.00 0.00 C ATOM 649 CE2 PHE A 134 -17.911 1.801 -3.162 1.00 0.00 C ATOM 650 CZ PHE A 134 -18.316 3.088 -2.861 1.00 0.00 C ATOM 0 H PHE A 134 -16.666 2.420 1.847 1.00 0.00 H new ATOM 0 HA PHE A 134 -17.157 -0.316 0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -14.923 1.609 0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -15.329 0.104 -0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -16.741 3.473 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -16.772 0.112 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -18.209 4.692 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -18.240 1.330 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 134 -18.962 3.624 -3.540 1.00 0.00 H new ATOM 660 N HIS A 135 -15.419 -1.404 2.271 1.00 0.00 N ATOM 661 CA HIS A 135 -14.465 -2.038 3.172 1.00 0.00 C ATOM 662 C HIS A 135 -13.425 -2.845 2.402 1.00 0.00 C ATOM 663 O HIS A 135 -13.762 -3.645 1.526 1.00 0.00 O ATOM 664 CB HIS A 135 -15.188 -2.931 4.187 1.00 0.00 C ATOM 665 CG HIS A 135 -15.993 -4.035 3.573 1.00 0.00 C ATOM 666 ND1 HIS A 135 -17.068 -3.813 2.740 1.00 0.00 N ATOM 667 CD2 HIS A 135 -15.880 -5.379 3.687 1.00 0.00 C ATOM 668 CE1 HIS A 135 -17.582 -4.973 2.368 1.00 0.00 C ATOM 669 NE2 HIS A 135 -16.878 -5.939 2.929 1.00 0.00 N ATOM 0 H HIS A 135 -16.076 -2.045 1.826 1.00 0.00 H new ATOM 0 HA HIS A 135 -13.945 -1.246 3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -14.450 -3.367 4.861 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -15.847 -2.311 4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -15.141 -5.912 4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -18.433 -5.107 1.716 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -17.048 -6.939 2.817 1.00 0.00 H new ATOM 678 N LEU A 136 -12.157 -2.627 2.740 1.00 0.00 N ATOM 679 CA LEU A 136 -11.053 -3.327 2.094 1.00 0.00 C ATOM 680 C LEU A 136 -10.977 -4.769 2.591 1.00 0.00 C ATOM 681 O LEU A 136 -11.051 -5.024 3.794 1.00 0.00 O ATOM 682 CB LEU A 136 -9.738 -2.578 2.361 1.00 0.00 C ATOM 683 CG LEU A 136 -8.474 -3.181 1.735 1.00 0.00 C ATOM 684 CD1 LEU A 136 -7.994 -4.377 2.536 1.00 0.00 C ATOM 685 CD2 LEU A 136 -8.722 -3.576 0.287 1.00 0.00 C ATOM 0 H LEU A 136 -11.869 -1.967 3.462 1.00 0.00 H new ATOM 0 HA LEU A 136 -11.222 -3.354 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -9.846 -1.556 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -9.591 -2.518 3.439 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.694 -2.420 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -7.097 -4.788 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.766 -4.065 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.774 -5.138 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.811 -4.001 -0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.522 -4.315 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -9.011 -2.695 -0.286 1.00 0.00 H new ATOM 697 N VAL A 137 -10.843 -5.712 1.660 1.00 0.00 N ATOM 698 CA VAL A 137 -10.777 -7.127 2.010 1.00 0.00 C ATOM 699 C VAL A 137 -9.631 -7.838 1.287 1.00 0.00 C ATOM 700 O VAL A 137 -9.866 -8.637 0.380 1.00 0.00 O ATOM 701 CB VAL A 137 -12.098 -7.847 1.669 1.00 0.00 C ATOM 702 CG1 VAL A 137 -12.082 -9.277 2.188 1.00 0.00 C ATOM 703 CG2 VAL A 137 -13.288 -7.080 2.226 1.00 0.00 C ATOM 0 H VAL A 137 -10.778 -5.521 0.660 1.00 0.00 H new ATOM 0 HA VAL A 137 -10.601 -7.171 3.085 1.00 0.00 H new ATOM 0 HB VAL A 137 -12.197 -7.883 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -13.023 -9.766 1.936 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -11.256 -9.821 1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -11.955 -9.270 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -14.209 -7.605 1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -13.198 -7.005 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -13.311 -6.080 1.794 1.00 0.00 H new ATOM 713 N GLY A 138 -8.395 -7.555 1.685 1.00 0.00 N ATOM 714 CA GLY A 138 -7.262 -8.198 1.047 1.00 0.00 C ATOM 715 C GLY A 138 -5.932 -7.763 1.623 1.00 0.00 C ATOM 716 O GLY A 138 -5.757 -7.735 2.841 1.00 0.00 O ATOM 0 H GLY A 138 -8.159 -6.899 2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.360 -9.279 1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.279 -7.976 -0.020 1.00 0.00 H new ATOM 720 N SER A 139 -4.995 -7.428 0.740 1.00 0.00 N ATOM 721 CA SER A 139 -3.670 -6.988 1.141 1.00 0.00 C ATOM 722 C SER A 139 -3.724 -5.578 1.721 1.00 0.00 C ATOM 723 O SER A 139 -3.121 -4.647 1.184 1.00 0.00 O ATOM 724 CB SER A 139 -2.729 -7.033 -0.059 1.00 0.00 C ATOM 725 OG SER A 139 -3.232 -6.256 -1.129 1.00 0.00 O ATOM 0 H SER A 139 -5.136 -7.455 -0.270 1.00 0.00 H new ATOM 0 HA SER A 139 -3.295 -7.659 1.914 1.00 0.00 H new ATOM 0 HB2 SER A 139 -1.746 -6.664 0.232 1.00 0.00 H new ATOM 0 HB3 SER A 139 -2.599 -8.065 -0.385 1.00 0.00 H new ATOM 0 HG SER A 139 -2.623 -6.320 -1.894 1.00 0.00 H new ATOM 731 N SER A 140 -4.464 -5.431 2.813 1.00 0.00 N ATOM 732 CA SER A 140 -4.629 -4.153 3.476 1.00 0.00 C ATOM 733 C SER A 140 -3.285 -3.532 3.852 1.00 0.00 C ATOM 734 O SER A 140 -3.212 -2.345 4.160 1.00 0.00 O ATOM 735 CB SER A 140 -5.494 -4.340 4.720 1.00 0.00 C ATOM 736 OG SER A 140 -4.832 -5.132 5.690 1.00 0.00 O ATOM 0 H SER A 140 -4.965 -6.198 3.261 1.00 0.00 H new ATOM 0 HA SER A 140 -5.119 -3.468 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 140 -5.738 -3.367 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.437 -4.812 4.443 1.00 0.00 H new ATOM 0 HG SER A 140 -5.407 -5.234 6.477 1.00 0.00 H new ATOM 742 N ARG A 141 -2.226 -4.337 3.831 1.00 0.00 N ATOM 743 CA ARG A 141 -0.893 -3.846 4.175 1.00 0.00 C ATOM 744 C ARG A 141 0.172 -4.450 3.263 1.00 0.00 C ATOM 745 O ARG A 141 0.123 -5.637 2.939 1.00 0.00 O ATOM 746 CB ARG A 141 -0.571 -4.171 5.634 1.00 0.00 C ATOM 747 CG ARG A 141 -0.550 -5.660 5.936 1.00 0.00 C ATOM 748 CD ARG A 141 -0.216 -5.930 7.394 1.00 0.00 C ATOM 749 NE ARG A 141 -0.185 -7.360 7.697 1.00 0.00 N ATOM 750 CZ ARG A 141 -1.246 -8.159 7.606 1.00 0.00 C ATOM 751 NH1 ARG A 141 -2.423 -7.671 7.237 1.00 0.00 N ATOM 752 NH2 ARG A 141 -1.128 -9.449 7.889 1.00 0.00 N ATOM 0 H ARG A 141 -2.263 -5.325 3.581 1.00 0.00 H new ATOM 0 HA ARG A 141 -0.889 -2.765 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 141 0.399 -3.744 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -1.308 -3.689 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.521 -6.094 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.184 -6.151 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.752 -5.489 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.953 -5.441 8.031 1.00 0.00 H new ATOM 0 HE ARG A 141 0.701 -7.769 7.995 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -2.519 -6.679 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -3.232 -8.288 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 141 -0.225 -9.828 8.176 1.00 0.00 H new ATOM 0 HH22 ARG A 141 -1.940 -10.063 7.820 1.00 0.00 H new ATOM 766 N SER A 142 1.141 -3.628 2.862 1.00 0.00 N ATOM 767 CA SER A 142 2.226 -4.090 1.997 1.00 0.00 C ATOM 768 C SER A 142 3.553 -3.483 2.444 1.00 0.00 C ATOM 769 O SER A 142 3.728 -2.264 2.418 1.00 0.00 O ATOM 770 CB SER A 142 1.949 -3.713 0.540 1.00 0.00 C ATOM 771 OG SER A 142 1.921 -2.309 0.372 1.00 0.00 O ATOM 0 H SER A 142 1.197 -2.643 3.121 1.00 0.00 H new ATOM 0 HA SER A 142 2.286 -5.176 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.717 -4.144 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 142 0.996 -4.139 0.226 1.00 0.00 H new ATOM 0 HG SER A 142 1.067 -2.045 -0.030 1.00 0.00 H new ATOM 777 N VAL A 143 4.482 -4.338 2.862 1.00 0.00 N ATOM 778 CA VAL A 143 5.787 -3.878 3.321 1.00 0.00 C ATOM 779 C VAL A 143 6.747 -3.667 2.156 1.00 0.00 C ATOM 780 O VAL A 143 6.987 -4.574 1.359 1.00 0.00 O ATOM 781 CB VAL A 143 6.419 -4.872 4.316 1.00 0.00 C ATOM 782 CG1 VAL A 143 7.787 -4.382 4.770 1.00 0.00 C ATOM 783 CG2 VAL A 143 5.500 -5.087 5.509 1.00 0.00 C ATOM 0 H VAL A 143 4.355 -5.350 2.892 1.00 0.00 H new ATOM 0 HA VAL A 143 5.619 -2.926 3.824 1.00 0.00 H new ATOM 0 HB VAL A 143 6.553 -5.828 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.215 -5.098 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 143 8.444 -4.284 3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 143 7.683 -3.413 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 143 5.961 -5.791 6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 143 5.333 -4.136 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 143 4.546 -5.488 5.166 1.00 0.00 H new ATOM 793 N CYS A 144 7.302 -2.463 2.073 1.00 0.00 N ATOM 794 CA CYS A 144 8.247 -2.123 1.020 1.00 0.00 C ATOM 795 C CYS A 144 9.630 -2.678 1.350 1.00 0.00 C ATOM 796 O CYS A 144 10.128 -2.499 2.462 1.00 0.00 O ATOM 797 CB CYS A 144 8.312 -0.603 0.853 1.00 0.00 C ATOM 798 SG CYS A 144 9.379 -0.034 -0.509 1.00 0.00 S ATOM 0 H CYS A 144 7.111 -1.704 2.727 1.00 0.00 H new ATOM 0 HA CYS A 144 7.910 -2.569 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 144 7.303 -0.225 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 144 8.669 -0.163 1.784 1.00 0.00 H new ATOM 803 N SER A 145 10.245 -3.357 0.384 1.00 0.00 N ATOM 804 CA SER A 145 11.568 -3.941 0.584 1.00 0.00 C ATOM 805 C SER A 145 12.117 -4.518 -0.716 1.00 0.00 C ATOM 806 O SER A 145 11.395 -5.166 -1.470 1.00 0.00 O ATOM 807 CB SER A 145 11.509 -5.039 1.649 1.00 0.00 C ATOM 808 OG SER A 145 12.767 -5.672 1.797 1.00 0.00 O ATOM 0 H SER A 145 9.849 -3.516 -0.543 1.00 0.00 H new ATOM 0 HA SER A 145 12.235 -3.147 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 145 11.200 -4.610 2.602 1.00 0.00 H new ATOM 0 HB3 SER A 145 10.757 -5.778 1.373 1.00 0.00 H new ATOM 0 HG SER A 145 13.254 -5.262 2.543 1.00 0.00 H new ATOM 814 N GLN A 146 13.401 -4.278 -0.968 1.00 0.00 N ATOM 815 CA GLN A 146 14.056 -4.772 -2.174 1.00 0.00 C ATOM 816 C GLN A 146 13.322 -4.292 -3.423 1.00 0.00 C ATOM 817 O GLN A 146 13.198 -5.026 -4.405 1.00 0.00 O ATOM 818 CB GLN A 146 14.117 -6.301 -2.158 1.00 0.00 C ATOM 819 CG GLN A 146 14.862 -6.866 -0.959 1.00 0.00 C ATOM 820 CD GLN A 146 14.914 -8.382 -0.968 1.00 0.00 C ATOM 821 OE1 GLN A 146 13.881 -9.050 -0.946 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.122 -8.931 -1.000 1.00 0.00 N ATOM 0 H GLN A 146 14.010 -3.742 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 146 15.072 -4.377 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.102 -6.697 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 146 14.600 -6.647 -3.072 1.00 0.00 H new ATOM 0 HG2 GLN A 146 15.878 -6.471 -0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 146 14.378 -6.528 -0.043 1.00 0.00 H new ATOM 0 HE21 GLN A 146 16.952 -8.338 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.221 -9.946 -1.007 1.00 0.00 H new ATOM 831 N GLY A 147 12.841 -3.056 -3.374 1.00 0.00 N ATOM 832 CA GLY A 147 12.124 -2.486 -4.500 1.00 0.00 C ATOM 833 C GLY A 147 10.922 -3.320 -4.911 1.00 0.00 C ATOM 834 O GLY A 147 10.481 -3.259 -6.058 1.00 0.00 O ATOM 0 H GLY A 147 12.935 -2.435 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 147 11.793 -1.480 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 147 12.803 -2.391 -5.348 1.00 0.00 H new ATOM 838 N GLN A 148 10.387 -4.097 -3.970 1.00 0.00 N ATOM 839 CA GLN A 148 9.225 -4.940 -4.240 1.00 0.00 C ATOM 840 C GLN A 148 8.291 -4.992 -3.032 1.00 0.00 C ATOM 841 O GLN A 148 8.740 -5.162 -1.898 1.00 0.00 O ATOM 842 CB GLN A 148 9.669 -6.354 -4.627 1.00 0.00 C ATOM 843 CG GLN A 148 10.508 -7.046 -3.563 1.00 0.00 C ATOM 844 CD GLN A 148 10.947 -8.443 -3.966 1.00 0.00 C ATOM 845 OE1 GLN A 148 10.534 -8.886 -5.150 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 11.650 -9.121 -3.217 1.00 0.00 N flip ATOM 0 H GLN A 148 10.740 -4.160 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 148 8.678 -4.501 -5.074 1.00 0.00 H new ATOM 0 HB2 GLN A 148 8.786 -6.959 -4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 148 10.242 -6.304 -5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 148 11.390 -6.441 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 148 9.935 -7.104 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 148 11.946 -8.745 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 148 11.937 -10.059 -3.497 1.00 0.00 H new ATOM 855 N TRP A 149 6.992 -4.843 -3.281 1.00 0.00 N ATOM 856 CA TRP A 149 6.000 -4.874 -2.208 1.00 0.00 C ATOM 857 C TRP A 149 5.717 -6.303 -1.758 1.00 0.00 C ATOM 858 O TRP A 149 5.626 -7.216 -2.579 1.00 0.00 O ATOM 859 CB TRP A 149 4.694 -4.214 -2.655 1.00 0.00 C ATOM 860 CG TRP A 149 4.867 -2.813 -3.150 1.00 0.00 C ATOM 861 CD1 TRP A 149 5.195 -2.426 -4.417 1.00 0.00 C ATOM 862 CD2 TRP A 149 4.739 -1.611 -2.382 1.00 0.00 C ATOM 863 NE1 TRP A 149 5.261 -1.055 -4.487 1.00 0.00 N ATOM 864 CE2 TRP A 149 4.990 -0.533 -3.250 1.00 0.00 C ATOM 865 CE3 TRP A 149 4.432 -1.343 -1.046 1.00 0.00 C ATOM 866 CZ2 TRP A 149 4.944 0.791 -2.824 1.00 0.00 C ATOM 867 CZ3 TRP A 149 4.388 -0.028 -0.624 1.00 0.00 C ATOM 868 CH2 TRP A 149 4.641 1.025 -1.510 1.00 0.00 C ATOM 0 H TRP A 149 6.602 -4.700 -4.213 1.00 0.00 H new ATOM 0 HA TRP A 149 6.414 -4.317 -1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 149 4.245 -4.816 -3.445 1.00 0.00 H new ATOM 0 HB3 TRP A 149 3.994 -4.211 -1.819 1.00 0.00 H new ATOM 0 HD1 TRP A 149 5.376 -3.098 -5.243 1.00 0.00 H new ATOM 0 HE1 TRP A 149 5.477 -0.514 -5.324 1.00 0.00 H new ATOM 0 HE3 TRP A 149 4.233 -2.149 -0.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 5.140 1.605 -3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.154 0.191 0.407 1.00 0.00 H new ATOM 0 HH2 TRP A 149 4.596 2.042 -1.150 1.00 0.00 H new ATOM 879 N SER A 150 5.569 -6.487 -0.449 1.00 0.00 N ATOM 880 CA SER A 150 5.283 -7.804 0.111 1.00 0.00 C ATOM 881 C SER A 150 4.006 -8.380 -0.493 1.00 0.00 C ATOM 882 O SER A 150 3.975 -9.536 -0.916 1.00 0.00 O ATOM 883 CB SER A 150 5.152 -7.718 1.633 1.00 0.00 C ATOM 884 OG SER A 150 6.357 -7.263 2.223 1.00 0.00 O ATOM 0 H SER A 150 5.642 -5.741 0.243 1.00 0.00 H new ATOM 0 HA SER A 150 6.112 -8.467 -0.135 1.00 0.00 H new ATOM 0 HB2 SER A 150 4.338 -7.042 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 150 4.894 -8.698 2.035 1.00 0.00 H new ATOM 0 HG SER A 150 6.583 -6.379 1.866 1.00 0.00 H new ATOM 890 N THR A 151 2.955 -7.565 -0.534 1.00 0.00 N ATOM 891 CA THR A 151 1.677 -7.994 -1.092 1.00 0.00 C ATOM 892 C THR A 151 1.185 -7.008 -2.150 1.00 0.00 C ATOM 893 O THR A 151 1.302 -5.795 -1.980 1.00 0.00 O ATOM 894 CB THR A 151 0.602 -8.133 0.002 1.00 0.00 C ATOM 895 OG1 THR A 151 0.368 -6.865 0.625 1.00 0.00 O ATOM 896 CG2 THR A 151 1.028 -9.149 1.052 1.00 0.00 C ATOM 0 H THR A 151 2.964 -6.606 -0.188 1.00 0.00 H new ATOM 0 HA THR A 151 1.842 -8.969 -1.551 1.00 0.00 H new ATOM 0 HB THR A 151 -0.318 -8.481 -0.467 1.00 0.00 H new ATOM 0 HG1 THR A 151 0.312 -6.983 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 151 0.253 -9.231 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 151 1.176 -10.120 0.580 1.00 0.00 H new ATOM 0 HG23 THR A 151 1.960 -8.825 1.515 1.00 0.00 H new ATOM 904 N PRO A 152 0.630 -7.519 -3.266 1.00 0.00 N ATOM 905 CA PRO A 152 0.126 -6.672 -4.355 1.00 0.00 C ATOM 906 C PRO A 152 -1.060 -5.814 -3.928 1.00 0.00 C ATOM 907 O PRO A 152 -1.297 -5.613 -2.737 1.00 0.00 O ATOM 908 CB PRO A 152 -0.304 -7.681 -5.427 1.00 0.00 C ATOM 909 CG PRO A 152 -0.531 -8.954 -4.688 1.00 0.00 C ATOM 910 CD PRO A 152 0.453 -8.953 -3.553 1.00 0.00 C ATOM 0 HA PRO A 152 0.881 -5.963 -4.695 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -1.210 -7.353 -5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 152 0.466 -7.799 -6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -1.554 -9.013 -4.317 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -0.377 -9.816 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 152 0.070 -9.493 -2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 152 1.393 -9.427 -3.834 1.00 0.00 H new ATOM 918 N LYS A 153 -1.801 -5.310 -4.910 1.00 0.00 N ATOM 919 CA LYS A 153 -2.964 -4.471 -4.639 1.00 0.00 C ATOM 920 C LYS A 153 -4.200 -5.324 -4.357 1.00 0.00 C ATOM 921 O LYS A 153 -4.506 -6.253 -5.104 1.00 0.00 O ATOM 922 CB LYS A 153 -3.230 -3.534 -5.819 1.00 0.00 C ATOM 923 CG LYS A 153 -2.117 -2.525 -6.060 1.00 0.00 C ATOM 924 CD LYS A 153 -1.942 -1.583 -4.877 1.00 0.00 C ATOM 925 CE LYS A 153 -3.182 -0.732 -4.644 1.00 0.00 C ATOM 926 NZ LYS A 153 -3.507 0.112 -5.826 1.00 0.00 N ATOM 0 H LYS A 153 -1.617 -5.468 -5.901 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.751 -3.873 -3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.370 -4.130 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.163 -2.998 -5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -1.182 -3.053 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.339 -1.946 -6.956 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -1.725 -2.163 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -1.084 -0.934 -5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -4.029 -1.379 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.026 -0.094 -3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -3.684 1.089 -5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.708 0.099 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.356 -0.262 -6.296 1.00 0.00 H new ATOM 940 N PRO A 154 -4.933 -5.015 -3.271 1.00 0.00 N ATOM 941 CA PRO A 154 -6.138 -5.753 -2.896 1.00 0.00 C ATOM 942 C PRO A 154 -7.369 -5.297 -3.677 1.00 0.00 C ATOM 943 O PRO A 154 -7.260 -4.862 -4.824 1.00 0.00 O ATOM 944 CB PRO A 154 -6.285 -5.421 -1.414 1.00 0.00 C ATOM 945 CG PRO A 154 -5.721 -4.047 -1.279 1.00 0.00 C ATOM 946 CD PRO A 154 -4.643 -3.918 -2.326 1.00 0.00 C ATOM 0 HA PRO A 154 -6.057 -6.819 -3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -7.329 -5.454 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -5.744 -6.134 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -6.496 -3.294 -1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -5.312 -3.893 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -4.679 -2.946 -2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -3.649 -4.018 -1.890 1.00 0.00 H new ATOM 954 N HIS A 155 -8.537 -5.392 -3.047 1.00 0.00 N ATOM 955 CA HIS A 155 -9.786 -4.983 -3.681 1.00 0.00 C ATOM 956 C HIS A 155 -10.820 -4.575 -2.636 1.00 0.00 C ATOM 957 O HIS A 155 -11.015 -5.268 -1.638 1.00 0.00 O ATOM 958 CB HIS A 155 -10.340 -6.112 -4.553 1.00 0.00 C ATOM 959 CG HIS A 155 -10.633 -7.369 -3.795 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.658 -8.116 -3.169 1.00 0.00 N ATOM 961 CD2 HIS A 155 -11.804 -8.006 -3.556 1.00 0.00 C ATOM 962 CE1 HIS A 155 -10.216 -9.159 -2.580 1.00 0.00 C ATOM 963 NE2 HIS A 155 -11.516 -9.115 -2.798 1.00 0.00 N ATOM 0 H HIS A 155 -8.644 -5.749 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 155 -9.575 -4.120 -4.313 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -11.254 -5.769 -5.038 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -9.623 -6.334 -5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -12.782 -7.699 -3.898 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -9.696 -9.919 -2.016 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -12.197 -9.794 -2.459 1.00 0.00 H new ATOM 972 N CYS A 156 -11.481 -3.447 -2.872 1.00 0.00 N ATOM 973 CA CYS A 156 -12.497 -2.947 -1.952 1.00 0.00 C ATOM 974 C CYS A 156 -13.901 -3.176 -2.502 1.00 0.00 C ATOM 975 O CYS A 156 -14.135 -3.058 -3.705 1.00 0.00 O ATOM 976 CB CYS A 156 -12.271 -1.463 -1.669 1.00 0.00 C ATOM 977 SG CYS A 156 -10.765 -1.129 -0.699 1.00 0.00 S ATOM 0 H CYS A 156 -11.332 -2.861 -3.693 1.00 0.00 H new ATOM 0 HA CYS A 156 -12.409 -3.502 -1.018 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -12.210 -0.926 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -13.134 -1.068 -1.133 1.00 0.00 H new ATOM 982 N GLN A 157 -14.828 -3.510 -1.610 1.00 0.00 N ATOM 983 CA GLN A 157 -16.210 -3.765 -2.001 1.00 0.00 C ATOM 984 C GLN A 157 -17.181 -3.079 -1.045 1.00 0.00 C ATOM 985 O GLN A 157 -16.986 -3.094 0.168 1.00 0.00 O ATOM 986 CB GLN A 157 -16.479 -5.272 -2.027 1.00 0.00 C ATOM 987 CG GLN A 157 -17.901 -5.635 -2.421 1.00 0.00 C ATOM 988 CD GLN A 157 -18.126 -7.133 -2.472 1.00 0.00 C ATOM 989 OE1 GLN A 157 -17.993 -7.827 -1.464 1.00 0.00 O ATOM 990 NE2 GLN A 157 -18.466 -7.641 -3.651 1.00 0.00 N ATOM 0 H GLN A 157 -14.647 -3.610 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 157 -16.364 -3.356 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -15.787 -5.743 -2.725 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -16.268 -5.686 -1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -18.596 -5.191 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -18.125 -5.204 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -18.565 -7.029 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -18.628 -8.643 -3.747 1.00 0.00 H new ATOM 999 N VAL A 158 -18.224 -2.473 -1.603 1.00 0.00 N ATOM 1000 CA VAL A 158 -19.224 -1.777 -0.802 1.00 0.00 C ATOM 1001 C VAL A 158 -20.021 -2.756 0.056 1.00 0.00 C ATOM 1002 O VAL A 158 -20.384 -3.842 -0.397 1.00 0.00 O ATOM 1003 CB VAL A 158 -20.195 -0.972 -1.689 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -20.929 -1.892 -2.654 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -21.177 -0.187 -0.833 1.00 0.00 C ATOM 0 H VAL A 158 -18.399 -2.450 -2.608 1.00 0.00 H new ATOM 0 HA VAL A 158 -18.685 -1.087 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 158 -19.614 -0.261 -2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -21.609 -1.304 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -20.207 -2.400 -3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -21.498 -2.632 -2.090 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -21.854 0.374 -1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -21.753 -0.876 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -20.629 0.504 -0.192 1.00 0.00 H new ATOM 1015 N ASN A 159 -20.289 -2.365 1.300 1.00 0.00 N ATOM 1016 CA ASN A 159 -21.043 -3.207 2.222 1.00 0.00 C ATOM 1017 C ASN A 159 -22.430 -3.516 1.667 1.00 0.00 C ATOM 1018 O ASN A 159 -22.843 -4.693 1.731 1.00 0.00 O ATOM 1019 CB ASN A 159 -21.172 -2.522 3.585 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.826 -2.257 4.231 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -19.062 -3.182 4.502 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.531 -0.986 4.484 1.00 0.00 N ATOM 1023 OXT ASN A 159 -23.092 -2.578 1.173 1.00 0.00 O ATOM 0 H ASN A 159 -19.995 -1.470 1.691 1.00 0.00 H new ATOM 0 HA ASN A 159 -20.500 -4.144 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -21.706 -1.579 3.465 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -21.772 -3.146 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.641 -0.746 4.920 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -20.195 -0.250 4.242 1.00 0.00 H new TER 1030 ASN A 159