USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 135 HIS : no HD1:sc= 0.317 K(o=0.17,f=-11!) USER MOD Set 1.2: A 157 GLN : amide:sc= 0.0208 K(o=0.17,f=-0.39) USER MOD Set 1.3: A 159 ASN : amide:sc= -0.166 K(o=0.17,f=-1.4) USER MOD Set 2.1: A 145 SER OG : rot -112:sc= 0.688 USER MOD Set 2.2: A 146 GLN : amide:sc= -0.0283 K(o=0.66,f=-3!) USER MOD Set 3.1: A 139 SER OG : rot 44:sc= 0.208 USER MOD Set 3.2: A 142 SER OG : rot -130:sc= -1.71! USER MOD Set 3.3: A 151 THR OG1 : rot -128:sc= 0.682 USER MOD Single : A 100 SER OG : rot -133:sc= 0.696 USER MOD Single : A 101 LYS NZ :NH3+ 142:sc= -3.49! (180deg=-5.85!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -18:sc= 0.667 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 148 GLN :FLIP amide:sc= -0.62 F(o=-3.2!,f=-0.62) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -134:sc= 1.08 (180deg=-0.333) USER MOD Single : A 155 HIS : no HD1:sc= -0.534 K(o=-0.53,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 25.121 11.813 -8.550 1.00 0.00 N ATOM 2 CA GLU A 92 24.145 10.700 -8.415 1.00 0.00 C ATOM 3 C GLU A 92 23.527 10.340 -9.764 1.00 0.00 C ATOM 4 O GLU A 92 22.311 10.180 -9.878 1.00 0.00 O ATOM 5 CB GLU A 92 23.051 11.126 -7.432 1.00 0.00 C ATOM 6 CG GLU A 92 23.573 11.465 -6.044 1.00 0.00 C ATOM 7 CD GLU A 92 24.179 10.269 -5.332 1.00 0.00 C ATOM 8 OE1 GLU A 92 24.159 9.159 -5.903 1.00 0.00 O ATOM 9 OE2 GLU A 92 24.670 10.443 -4.196 1.00 0.00 O ATOM 0 HA GLU A 92 24.662 9.815 -8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 92 22.530 11.994 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 92 22.318 10.324 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.323 12.251 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 92 22.757 11.865 -5.442 1.00 0.00 H new ATOM 18 N ALA A 93 24.372 10.216 -10.783 1.00 0.00 N ATOM 19 CA ALA A 93 23.908 9.877 -12.123 1.00 0.00 C ATOM 20 C ALA A 93 23.201 8.525 -12.138 1.00 0.00 C ATOM 21 O ALA A 93 22.157 8.367 -12.772 1.00 0.00 O ATOM 22 CB ALA A 93 25.074 9.876 -13.101 1.00 0.00 C ATOM 0 H ALA A 93 25.381 10.345 -10.706 1.00 0.00 H new ATOM 0 HA ALA A 93 23.188 10.635 -12.432 1.00 0.00 H new ATOM 0 HB1 ALA A 93 24.713 9.621 -14.097 1.00 0.00 H new ATOM 0 HB2 ALA A 93 25.532 10.865 -13.123 1.00 0.00 H new ATOM 0 HB3 ALA A 93 25.814 9.141 -12.784 1.00 0.00 H new ATOM 28 N GLU A 94 23.774 7.552 -11.436 1.00 0.00 N ATOM 29 CA GLU A 94 23.197 6.214 -11.370 1.00 0.00 C ATOM 30 C GLU A 94 21.820 6.254 -10.713 1.00 0.00 C ATOM 31 O GLU A 94 21.646 6.851 -9.651 1.00 0.00 O ATOM 32 CB GLU A 94 24.116 5.265 -10.594 1.00 0.00 C ATOM 33 CG GLU A 94 25.418 4.919 -11.308 1.00 0.00 C ATOM 34 CD GLU A 94 26.354 6.102 -11.467 1.00 0.00 C ATOM 35 OE1 GLU A 94 26.032 7.019 -12.251 1.00 0.00 O ATOM 36 OE2 GLU A 94 27.413 6.111 -10.806 1.00 0.00 O ATOM 0 H GLU A 94 24.637 7.665 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 94 23.090 5.843 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 94 24.354 5.717 -9.631 1.00 0.00 H new ATOM 0 HB3 GLU A 94 23.573 4.342 -10.388 1.00 0.00 H new ATOM 0 HG2 GLU A 94 25.930 4.133 -10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 94 25.186 4.514 -12.293 1.00 0.00 H new ATOM 43 N PHE A 95 20.845 5.611 -11.349 1.00 0.00 N ATOM 44 CA PHE A 95 19.485 5.574 -10.821 1.00 0.00 C ATOM 45 C PHE A 95 19.430 4.796 -9.512 1.00 0.00 C ATOM 46 O PHE A 95 18.770 5.214 -8.559 1.00 0.00 O ATOM 47 CB PHE A 95 18.522 4.948 -11.836 1.00 0.00 C ATOM 48 CG PHE A 95 18.363 5.745 -13.101 1.00 0.00 C ATOM 49 CD1 PHE A 95 19.441 5.963 -13.944 1.00 0.00 C ATOM 50 CD2 PHE A 95 17.128 6.271 -13.449 1.00 0.00 C ATOM 51 CE1 PHE A 95 19.291 6.692 -15.109 1.00 0.00 C ATOM 52 CE2 PHE A 95 16.974 7.000 -14.613 1.00 0.00 C ATOM 53 CZ PHE A 95 18.057 7.211 -15.443 1.00 0.00 C ATOM 0 H PHE A 95 20.971 5.110 -12.228 1.00 0.00 H new ATOM 0 HA PHE A 95 19.177 6.602 -10.631 1.00 0.00 H new ATOM 0 HB2 PHE A 95 18.877 3.949 -12.090 1.00 0.00 H new ATOM 0 HB3 PHE A 95 17.545 4.829 -11.368 1.00 0.00 H new ATOM 0 HD1 PHE A 95 20.409 5.559 -13.688 1.00 0.00 H new ATOM 0 HD2 PHE A 95 16.277 6.109 -12.803 1.00 0.00 H new ATOM 0 HE1 PHE A 95 20.139 6.855 -15.757 1.00 0.00 H new ATOM 0 HE2 PHE A 95 16.007 7.404 -14.873 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.938 7.781 -16.352 1.00 0.00 H new ATOM 63 N VAL A 96 20.124 3.659 -9.475 1.00 0.00 N ATOM 64 CA VAL A 96 20.157 2.811 -8.287 1.00 0.00 C ATOM 65 C VAL A 96 18.787 2.202 -8.012 1.00 0.00 C ATOM 66 O VAL A 96 17.761 2.867 -8.162 1.00 0.00 O ATOM 67 CB VAL A 96 20.625 3.596 -7.044 1.00 0.00 C ATOM 68 CG1 VAL A 96 20.658 2.695 -5.818 1.00 0.00 C ATOM 69 CG2 VAL A 96 21.989 4.223 -7.289 1.00 0.00 C ATOM 0 H VAL A 96 20.673 3.304 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 96 20.872 2.013 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 96 19.910 4.397 -6.857 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.991 3.269 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 96 19.660 2.301 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.347 1.869 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 96 22.302 4.772 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 96 22.716 3.440 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.928 4.907 -8.136 1.00 0.00 H new ATOM 79 N ARG A 97 18.776 0.933 -7.610 1.00 0.00 N ATOM 80 CA ARG A 97 17.529 0.236 -7.314 1.00 0.00 C ATOM 81 C ARG A 97 16.661 1.074 -6.381 1.00 0.00 C ATOM 82 O ARG A 97 17.155 1.654 -5.414 1.00 0.00 O ATOM 83 CB ARG A 97 17.819 -1.125 -6.678 1.00 0.00 C ATOM 84 CG ARG A 97 16.570 -1.927 -6.344 1.00 0.00 C ATOM 85 CD ARG A 97 15.810 -2.338 -7.596 1.00 0.00 C ATOM 86 NE ARG A 97 16.622 -3.169 -8.480 1.00 0.00 N ATOM 87 CZ ARG A 97 16.158 -3.744 -9.587 1.00 0.00 C ATOM 88 NH1 ARG A 97 14.887 -3.594 -9.934 1.00 0.00 N ATOM 89 NH2 ARG A 97 16.965 -4.473 -10.344 1.00 0.00 N ATOM 0 H ARG A 97 19.616 0.368 -7.482 1.00 0.00 H new ATOM 0 HA ARG A 97 16.990 0.080 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 97 18.442 -1.707 -7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 97 18.397 -0.973 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 97 16.850 -2.817 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 97 15.919 -1.334 -5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 97 14.910 -2.883 -7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 97 15.486 -1.446 -8.133 1.00 0.00 H new ATOM 0 HE ARG A 97 17.601 -3.317 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.262 -3.037 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.535 -4.036 -10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 97 17.942 -4.594 -10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 97 16.609 -4.913 -11.192 1.00 0.00 H new ATOM 103 N ILE A 98 15.369 1.144 -6.681 1.00 0.00 N ATOM 104 CA ILE A 98 14.444 1.920 -5.873 1.00 0.00 C ATOM 105 C ILE A 98 13.136 1.171 -5.648 1.00 0.00 C ATOM 106 O ILE A 98 12.673 0.430 -6.517 1.00 0.00 O ATOM 107 CB ILE A 98 14.141 3.288 -6.516 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.508 3.101 -7.898 1.00 0.00 C ATOM 109 CG2 ILE A 98 15.413 4.120 -6.614 1.00 0.00 C ATOM 110 CD1 ILE A 98 13.138 4.400 -8.580 1.00 0.00 C ATOM 0 H ILE A 98 14.941 0.672 -7.478 1.00 0.00 H new ATOM 0 HA ILE A 98 14.931 2.081 -4.911 1.00 0.00 H new ATOM 0 HB ILE A 98 13.430 3.820 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 98 14.202 2.552 -8.534 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.613 2.486 -7.798 1.00 0.00 H new ATOM 0 HG21 ILE A 98 15.184 5.083 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.822 4.279 -5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 98 16.146 3.594 -7.226 1.00 0.00 H new ATOM 0 HD11 ILE A 98 12.696 4.187 -9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 98 12.419 4.942 -7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.032 5.009 -8.713 1.00 0.00 H new ATOM 122 N CYS A 99 12.554 1.369 -4.470 1.00 0.00 N ATOM 123 CA CYS A 99 11.301 0.717 -4.105 1.00 0.00 C ATOM 124 C CYS A 99 10.240 0.925 -5.183 1.00 0.00 C ATOM 125 O CYS A 99 10.133 2.007 -5.760 1.00 0.00 O ATOM 126 CB CYS A 99 10.801 1.267 -2.770 1.00 0.00 C ATOM 127 SG CYS A 99 12.045 1.214 -1.439 1.00 0.00 S ATOM 0 H CYS A 99 12.933 1.980 -3.747 1.00 0.00 H new ATOM 0 HA CYS A 99 11.486 -0.353 -4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 99 10.477 2.298 -2.911 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.925 0.698 -2.459 1.00 0.00 H new ATOM 132 N SER A 100 9.465 -0.124 -5.451 1.00 0.00 N ATOM 133 CA SER A 100 8.414 -0.068 -6.463 1.00 0.00 C ATOM 134 C SER A 100 7.553 1.182 -6.300 1.00 0.00 C ATOM 135 O SER A 100 7.077 1.485 -5.206 1.00 0.00 O ATOM 136 CB SER A 100 7.535 -1.317 -6.384 1.00 0.00 C ATOM 137 OG SER A 100 6.508 -1.282 -7.361 1.00 0.00 O ATOM 0 H SER A 100 9.546 -1.025 -4.980 1.00 0.00 H new ATOM 0 HA SER A 100 8.895 -0.026 -7.440 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.148 -2.207 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.093 -1.392 -5.390 1.00 0.00 H new ATOM 0 HG SER A 100 5.652 -1.516 -6.945 1.00 0.00 H new ATOM 143 N LYS A 101 7.359 1.900 -7.402 1.00 0.00 N ATOM 144 CA LYS A 101 6.556 3.118 -7.400 1.00 0.00 C ATOM 145 C LYS A 101 5.070 2.800 -7.525 1.00 0.00 C ATOM 146 O LYS A 101 4.227 3.559 -7.054 1.00 0.00 O ATOM 147 CB LYS A 101 6.994 4.043 -8.538 1.00 0.00 C ATOM 148 CG LYS A 101 6.867 3.418 -9.919 1.00 0.00 C ATOM 149 CD LYS A 101 7.405 4.334 -11.011 1.00 0.00 C ATOM 150 CE LYS A 101 6.519 5.553 -11.229 1.00 0.00 C ATOM 151 NZ LYS A 101 6.453 6.430 -10.027 1.00 0.00 N ATOM 0 H LYS A 101 7.749 1.657 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 101 6.715 3.624 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.396 4.953 -8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.031 4.337 -8.376 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.408 2.472 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.820 3.191 -10.119 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.410 4.661 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.487 3.775 -11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.898 6.128 -12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.513 5.225 -11.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.442 7.426 -10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.587 6.219 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 7.283 6.257 -9.425 1.00 0.00 H new ATOM 165 N SER A 102 4.757 1.681 -8.174 1.00 0.00 N ATOM 166 CA SER A 102 3.369 1.258 -8.372 1.00 0.00 C ATOM 167 C SER A 102 2.701 0.833 -7.061 1.00 0.00 C ATOM 168 O SER A 102 1.925 -0.124 -7.039 1.00 0.00 O ATOM 169 CB SER A 102 3.308 0.108 -9.380 1.00 0.00 C ATOM 170 OG SER A 102 3.801 0.510 -10.647 1.00 0.00 O ATOM 0 H SER A 102 5.448 1.047 -8.574 1.00 0.00 H new ATOM 0 HA SER A 102 2.821 2.117 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.892 -0.735 -9.010 1.00 0.00 H new ATOM 0 HB3 SER A 102 2.279 -0.237 -9.480 1.00 0.00 H new ATOM 0 HG SER A 102 3.752 -0.244 -11.271 1.00 0.00 H new ATOM 176 N TYR A 103 2.992 1.543 -5.975 1.00 0.00 N ATOM 177 CA TYR A 103 2.409 1.231 -4.674 1.00 0.00 C ATOM 178 C TYR A 103 1.757 2.460 -4.050 1.00 0.00 C ATOM 179 O TYR A 103 0.632 2.389 -3.556 1.00 0.00 O ATOM 180 CB TYR A 103 3.471 0.674 -3.726 1.00 0.00 C ATOM 181 CG TYR A 103 3.731 -0.806 -3.898 1.00 0.00 C ATOM 182 CD1 TYR A 103 4.089 -1.334 -5.132 1.00 0.00 C ATOM 183 CD2 TYR A 103 3.606 -1.678 -2.824 1.00 0.00 C ATOM 184 CE1 TYR A 103 4.318 -2.688 -5.290 1.00 0.00 C ATOM 185 CE2 TYR A 103 3.835 -3.033 -2.973 1.00 0.00 C ATOM 186 CZ TYR A 103 4.190 -3.532 -4.208 1.00 0.00 C ATOM 187 OH TYR A 103 4.418 -4.880 -4.361 1.00 0.00 O ATOM 0 H TYR A 103 3.629 2.340 -5.970 1.00 0.00 H new ATOM 0 HA TYR A 103 1.640 0.475 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 103 4.403 1.217 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.160 0.861 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 103 4.190 -0.676 -5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.325 -1.291 -1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.596 -3.082 -6.256 1.00 0.00 H new ATOM 0 HE2 TYR A 103 3.736 -3.697 -2.127 1.00 0.00 H new ATOM 0 HH TYR A 103 4.757 -5.252 -3.520 1.00 0.00 H new ATOM 197 N LEU A 104 2.470 3.581 -4.071 1.00 0.00 N ATOM 198 CA LEU A 104 1.957 4.820 -3.502 1.00 0.00 C ATOM 199 C LEU A 104 0.577 5.166 -4.066 1.00 0.00 C ATOM 200 O LEU A 104 -0.259 5.740 -3.368 1.00 0.00 O ATOM 201 CB LEU A 104 2.956 5.965 -3.718 1.00 0.00 C ATOM 202 CG LEU A 104 3.752 5.916 -5.024 1.00 0.00 C ATOM 203 CD1 LEU A 104 2.818 5.903 -6.216 1.00 0.00 C ATOM 204 CD2 LEU A 104 4.712 7.092 -5.107 1.00 0.00 C ATOM 0 H LEU A 104 3.403 3.656 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 104 1.836 4.675 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.412 6.909 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.660 5.970 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 104 4.336 4.996 -5.038 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.402 5.868 -7.136 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.172 5.026 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.206 6.805 -6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.270 7.041 -6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.149 8.025 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.407 7.055 -4.268 1.00 0.00 H new ATOM 216 N THR A 105 0.335 4.797 -5.321 1.00 0.00 N ATOM 217 CA THR A 105 -0.953 5.053 -5.961 1.00 0.00 C ATOM 218 C THR A 105 -1.854 3.826 -5.867 1.00 0.00 C ATOM 219 O THR A 105 -1.408 2.703 -6.106 1.00 0.00 O ATOM 220 CB THR A 105 -0.792 5.444 -7.443 1.00 0.00 C ATOM 221 OG1 THR A 105 -0.033 4.445 -8.135 1.00 0.00 O ATOM 222 CG2 THR A 105 -0.111 6.796 -7.581 1.00 0.00 C ATOM 0 H THR A 105 1.013 4.320 -5.915 1.00 0.00 H new ATOM 0 HA THR A 105 -1.408 5.889 -5.429 1.00 0.00 H new ATOM 0 HB THR A 105 -1.786 5.514 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.063 4.701 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.010 7.047 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.710 7.558 -7.083 1.00 0.00 H new ATOM 0 HG23 THR A 105 0.877 6.754 -7.122 1.00 0.00 H new ATOM 230 N LEU A 106 -3.118 4.041 -5.521 1.00 0.00 N ATOM 231 CA LEU A 106 -4.069 2.940 -5.400 1.00 0.00 C ATOM 232 C LEU A 106 -5.466 3.370 -5.834 1.00 0.00 C ATOM 233 O LEU A 106 -5.971 4.406 -5.401 1.00 0.00 O ATOM 234 CB LEU A 106 -4.105 2.425 -3.958 1.00 0.00 C ATOM 235 CG LEU A 106 -4.964 1.178 -3.732 1.00 0.00 C ATOM 236 CD1 LEU A 106 -4.517 0.045 -4.645 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.898 0.746 -2.275 1.00 0.00 C ATOM 0 H LEU A 106 -3.508 4.962 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.738 2.137 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.085 2.206 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.474 3.223 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.998 1.424 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.140 -0.832 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.614 0.356 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.476 -0.202 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.514 -0.142 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.866 0.519 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.267 1.551 -1.640 1.00 0.00 H new ATOM 249 N GLU A 107 -6.091 2.562 -6.688 1.00 0.00 N ATOM 250 CA GLU A 107 -7.434 2.855 -7.174 1.00 0.00 C ATOM 251 C GLU A 107 -8.456 2.711 -6.051 1.00 0.00 C ATOM 252 O GLU A 107 -8.456 1.714 -5.327 1.00 0.00 O ATOM 253 CB GLU A 107 -7.795 1.924 -8.334 1.00 0.00 C ATOM 254 CG GLU A 107 -7.731 0.449 -7.972 1.00 0.00 C ATOM 255 CD GLU A 107 -8.128 -0.453 -9.124 1.00 0.00 C ATOM 256 OE1 GLU A 107 -7.468 -0.390 -10.182 1.00 0.00 O ATOM 257 OE2 GLU A 107 -9.099 -1.223 -8.967 1.00 0.00 O ATOM 0 H GLU A 107 -5.688 1.701 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.451 3.885 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -8.801 2.161 -8.680 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -7.118 2.115 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.719 0.201 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.388 0.258 -7.123 1.00 0.00 H new ATOM 264 N ASN A 108 -9.322 3.711 -5.908 1.00 0.00 N ATOM 265 CA ASN A 108 -10.344 3.692 -4.868 1.00 0.00 C ATOM 266 C ASN A 108 -9.712 3.468 -3.499 1.00 0.00 C ATOM 267 O ASN A 108 -10.229 2.709 -2.680 1.00 0.00 O ATOM 268 CB ASN A 108 -11.377 2.600 -5.154 1.00 0.00 C ATOM 269 CG ASN A 108 -12.097 2.815 -6.470 1.00 0.00 C ATOM 270 OD1 ASN A 108 -12.762 3.832 -6.667 1.00 0.00 O ATOM 271 ND2 ASN A 108 -11.968 1.856 -7.379 1.00 0.00 N ATOM 0 H ASN A 108 -9.336 4.543 -6.498 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.847 4.659 -4.866 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.881 1.630 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.106 2.573 -4.344 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -12.430 1.945 -8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -11.407 1.030 -7.173 1.00 0.00 H new ATOM 278 N GLY A 109 -8.586 4.132 -3.261 1.00 0.00 N ATOM 279 CA GLY A 109 -7.895 3.993 -1.993 1.00 0.00 C ATOM 280 C GLY A 109 -6.699 4.910 -1.882 1.00 0.00 C ATOM 281 O GLY A 109 -6.046 5.225 -2.877 1.00 0.00 O ATOM 0 H GLY A 109 -8.139 4.765 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.589 4.206 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.569 2.960 -1.872 1.00 0.00 H new ATOM 285 N LYS A 110 -6.417 5.338 -0.663 1.00 0.00 N ATOM 286 CA LYS A 110 -5.295 6.228 -0.400 1.00 0.00 C ATOM 287 C LYS A 110 -4.134 5.468 0.229 1.00 0.00 C ATOM 288 O LYS A 110 -4.331 4.462 0.911 1.00 0.00 O ATOM 289 CB LYS A 110 -5.725 7.378 0.511 1.00 0.00 C ATOM 290 CG LYS A 110 -4.639 8.418 0.738 1.00 0.00 C ATOM 291 CD LYS A 110 -4.170 9.031 -0.573 1.00 0.00 C ATOM 292 CE LYS A 110 -3.107 10.093 -0.343 1.00 0.00 C ATOM 293 NZ LYS A 110 -2.602 10.659 -1.624 1.00 0.00 N ATOM 0 H LYS A 110 -6.953 5.082 0.166 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.962 6.640 -1.353 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.598 7.866 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.033 6.971 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -5.017 9.203 1.393 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.793 7.957 1.248 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.771 8.249 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.020 9.472 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.521 10.894 0.270 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.277 9.661 0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.879 11.379 -1.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.184 9.899 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.389 11.094 -2.146 1.00 0.00 H new ATOM 307 N VAL A 111 -2.925 5.956 -0.007 1.00 0.00 N ATOM 308 CA VAL A 111 -1.726 5.328 0.531 1.00 0.00 C ATOM 309 C VAL A 111 -0.858 6.346 1.264 1.00 0.00 C ATOM 310 O VAL A 111 -0.731 7.492 0.833 1.00 0.00 O ATOM 311 CB VAL A 111 -0.895 4.659 -0.582 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.375 4.044 -0.012 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.724 3.609 -1.307 1.00 0.00 C ATOM 0 H VAL A 111 -2.748 6.788 -0.570 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.054 4.563 1.234 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.606 5.425 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.946 3.578 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 111 0.977 4.822 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.113 3.291 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.122 3.147 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.046 2.846 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.599 4.081 -1.754 1.00 0.00 H new ATOM 323 N PHE A 112 -0.269 5.919 2.375 1.00 0.00 N ATOM 324 CA PHE A 112 0.583 6.790 3.176 1.00 0.00 C ATOM 325 C PHE A 112 2.052 6.428 2.994 1.00 0.00 C ATOM 326 O PHE A 112 2.423 5.255 3.034 1.00 0.00 O ATOM 327 CB PHE A 112 0.207 6.694 4.659 1.00 0.00 C ATOM 328 CG PHE A 112 -1.126 7.307 5.001 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.245 7.070 4.217 1.00 0.00 C ATOM 330 CD2 PHE A 112 -1.256 8.122 6.116 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.465 7.634 4.538 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.474 8.688 6.441 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.579 8.443 5.651 1.00 0.00 C ATOM 0 H PHE A 112 -0.366 4.972 2.742 1.00 0.00 H new ATOM 0 HA PHE A 112 0.430 7.814 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.197 5.644 4.952 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.981 7.183 5.251 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.162 6.437 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.395 8.317 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.329 7.442 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.561 9.321 7.312 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.532 8.884 5.903 1.00 0.00 H new ATOM 343 N LEU A 113 2.883 7.446 2.799 1.00 0.00 N ATOM 344 CA LEU A 113 4.311 7.245 2.617 1.00 0.00 C ATOM 345 C LEU A 113 5.053 7.746 3.848 1.00 0.00 C ATOM 346 O LEU A 113 4.803 8.855 4.322 1.00 0.00 O ATOM 347 CB LEU A 113 4.791 7.983 1.359 1.00 0.00 C ATOM 348 CG LEU A 113 6.208 7.642 0.875 1.00 0.00 C ATOM 349 CD1 LEU A 113 7.261 8.145 1.851 1.00 0.00 C ATOM 350 CD2 LEU A 113 6.352 6.146 0.651 1.00 0.00 C ATOM 0 H LEU A 113 2.588 8.422 2.763 1.00 0.00 H new ATOM 0 HA LEU A 113 4.515 6.182 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.092 7.772 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.743 9.055 1.551 1.00 0.00 H new ATOM 0 HG LEU A 113 6.368 8.150 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 113 8.253 7.888 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.179 9.228 1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.106 7.680 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 113 7.363 5.925 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.162 5.618 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.634 5.820 -0.102 1.00 0.00 H new ATOM 362 N THR A 114 5.963 6.931 4.364 1.00 0.00 N ATOM 363 CA THR A 114 6.728 7.312 5.541 1.00 0.00 C ATOM 364 C THR A 114 8.033 6.530 5.624 1.00 0.00 C ATOM 365 O THR A 114 8.035 5.298 5.604 1.00 0.00 O ATOM 366 CB THR A 114 5.920 7.080 6.833 1.00 0.00 C ATOM 367 OG1 THR A 114 4.684 7.801 6.775 1.00 0.00 O ATOM 368 CG2 THR A 114 6.711 7.525 8.054 1.00 0.00 C ATOM 0 H THR A 114 6.188 6.009 3.989 1.00 0.00 H new ATOM 0 HA THR A 114 6.950 8.375 5.445 1.00 0.00 H new ATOM 0 HB THR A 114 5.716 6.013 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.742 8.494 6.085 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.120 7.351 8.953 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.639 6.956 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.942 8.587 7.971 1.00 0.00 H new ATOM 376 N GLY A 115 9.143 7.254 5.719 1.00 0.00 N ATOM 377 CA GLY A 115 10.444 6.617 5.805 1.00 0.00 C ATOM 378 C GLY A 115 11.566 7.541 5.376 1.00 0.00 C ATOM 379 O GLY A 115 11.615 8.700 5.787 1.00 0.00 O ATOM 0 H GLY A 115 9.165 8.274 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.618 6.289 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 115 10.451 5.725 5.179 1.00 0.00 H new ATOM 383 N GLY A 116 12.465 7.026 4.543 1.00 0.00 N ATOM 384 CA GLY A 116 13.577 7.826 4.064 1.00 0.00 C ATOM 385 C GLY A 116 13.135 8.914 3.105 1.00 0.00 C ATOM 386 O GLY A 116 12.143 9.599 3.351 1.00 0.00 O ATOM 0 H GLY A 116 12.443 6.069 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.087 8.280 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 116 14.299 7.179 3.567 1.00 0.00 H new ATOM 390 N ASP A 117 13.869 9.064 2.004 1.00 0.00 N ATOM 391 CA ASP A 117 13.554 10.067 0.993 1.00 0.00 C ATOM 392 C ASP A 117 14.221 9.696 -0.322 1.00 0.00 C ATOM 393 O ASP A 117 15.437 9.518 -0.377 1.00 0.00 O ATOM 394 CB ASP A 117 14.032 11.455 1.437 1.00 0.00 C ATOM 395 CG ASP A 117 13.304 11.965 2.665 1.00 0.00 C ATOM 396 OD1 ASP A 117 12.071 12.152 2.590 1.00 0.00 O ATOM 397 OD2 ASP A 117 13.967 12.176 3.703 1.00 0.00 O ATOM 0 H ASP A 117 14.691 8.499 1.790 1.00 0.00 H new ATOM 0 HA ASP A 117 12.472 10.097 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.101 11.416 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.892 12.161 0.618 1.00 0.00 H new ATOM 402 N LEU A 118 13.422 9.569 -1.377 1.00 0.00 N ATOM 403 CA LEU A 118 13.946 9.202 -2.685 1.00 0.00 C ATOM 404 C LEU A 118 15.083 10.133 -3.100 1.00 0.00 C ATOM 405 O LEU A 118 14.997 11.348 -2.924 1.00 0.00 O ATOM 406 CB LEU A 118 12.824 9.191 -3.742 1.00 0.00 C ATOM 407 CG LEU A 118 12.247 10.553 -4.169 1.00 0.00 C ATOM 408 CD1 LEU A 118 12.002 11.447 -2.964 1.00 0.00 C ATOM 409 CD2 LEU A 118 13.164 11.244 -5.169 1.00 0.00 C ATOM 0 H LEU A 118 12.413 9.715 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 118 14.351 8.193 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 118 13.204 8.691 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 118 12.005 8.582 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 118 11.289 10.368 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 118 11.595 12.402 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 118 11.293 10.964 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 118 12.942 11.617 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 118 12.734 12.204 -5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.142 11.405 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 118 13.274 10.618 -6.055 1.00 0.00 H new ATOM 421 N PRO A 119 16.176 9.573 -3.652 1.00 0.00 N ATOM 422 CA PRO A 119 16.328 8.136 -3.880 1.00 0.00 C ATOM 423 C PRO A 119 16.968 7.406 -2.696 1.00 0.00 C ATOM 424 O PRO A 119 18.058 6.848 -2.825 1.00 0.00 O ATOM 425 CB PRO A 119 17.255 8.106 -5.090 1.00 0.00 C ATOM 426 CG PRO A 119 18.149 9.288 -4.902 1.00 0.00 C ATOM 427 CD PRO A 119 17.364 10.313 -4.113 1.00 0.00 C ATOM 0 HA PRO A 119 15.372 7.632 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 119 17.826 7.178 -5.130 1.00 0.00 H new ATOM 0 HB3 PRO A 119 16.694 8.176 -6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.057 9.004 -4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 119 18.458 9.696 -5.865 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.943 10.701 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 119 17.087 11.167 -4.732 1.00 0.00 H new ATOM 435 N ALA A 120 16.299 7.411 -1.543 1.00 0.00 N ATOM 436 CA ALA A 120 16.831 6.749 -0.357 1.00 0.00 C ATOM 437 C ALA A 120 15.719 6.356 0.612 1.00 0.00 C ATOM 438 O ALA A 120 15.726 6.758 1.775 1.00 0.00 O ATOM 439 CB ALA A 120 17.847 7.646 0.336 1.00 0.00 C ATOM 0 H ALA A 120 15.395 7.863 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 120 17.327 5.834 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 120 18.236 7.140 1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 120 18.667 7.863 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 120 17.366 8.578 0.634 1.00 0.00 H new ATOM 445 N LEU A 121 14.766 5.565 0.123 1.00 0.00 N ATOM 446 CA LEU A 121 13.648 5.108 0.945 1.00 0.00 C ATOM 447 C LEU A 121 14.083 3.977 1.874 1.00 0.00 C ATOM 448 O LEU A 121 13.397 2.959 1.991 1.00 0.00 O ATOM 449 CB LEU A 121 12.482 4.635 0.067 1.00 0.00 C ATOM 450 CG LEU A 121 11.827 5.711 -0.806 1.00 0.00 C ATOM 451 CD1 LEU A 121 12.775 6.170 -1.900 1.00 0.00 C ATOM 452 CD2 LEU A 121 10.539 5.181 -1.416 1.00 0.00 C ATOM 0 H LEU A 121 14.746 5.227 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 121 13.315 5.952 1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 121 12.841 3.836 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.718 4.202 0.713 1.00 0.00 H new ATOM 0 HG LEU A 121 11.593 6.568 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 121 12.288 6.934 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 121 13.677 6.585 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 121 13.042 5.321 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.084 5.955 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 121 10.760 4.309 -2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.849 4.899 -0.621 1.00 0.00 H new ATOM 464 N ASP A 122 15.227 4.154 2.527 1.00 0.00 N ATOM 465 CA ASP A 122 15.753 3.143 3.438 1.00 0.00 C ATOM 466 C ASP A 122 14.796 2.896 4.601 1.00 0.00 C ATOM 467 O ASP A 122 14.330 3.836 5.245 1.00 0.00 O ATOM 468 CB ASP A 122 17.121 3.572 3.971 1.00 0.00 C ATOM 469 CG ASP A 122 18.138 3.777 2.865 1.00 0.00 C ATOM 470 OD1 ASP A 122 17.899 4.637 1.991 1.00 0.00 O ATOM 471 OD2 ASP A 122 19.172 3.077 2.872 1.00 0.00 O ATOM 0 H ASP A 122 15.808 4.988 2.442 1.00 0.00 H new ATOM 0 HA ASP A 122 15.860 2.212 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.013 4.497 4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 122 17.490 2.816 4.664 1.00 0.00 H new ATOM 476 N GLY A 123 14.516 1.623 4.865 1.00 0.00 N ATOM 477 CA GLY A 123 13.622 1.261 5.953 1.00 0.00 C ATOM 478 C GLY A 123 12.297 1.997 5.893 1.00 0.00 C ATOM 479 O GLY A 123 11.726 2.344 6.927 1.00 0.00 O ATOM 0 H GLY A 123 14.894 0.832 4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.438 0.187 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 123 14.109 1.475 6.904 1.00 0.00 H new ATOM 483 N ALA A 124 11.807 2.234 4.681 1.00 0.00 N ATOM 484 CA ALA A 124 10.540 2.932 4.489 1.00 0.00 C ATOM 485 C ALA A 124 9.370 1.955 4.438 1.00 0.00 C ATOM 486 O ALA A 124 9.452 0.910 3.792 1.00 0.00 O ATOM 487 CB ALA A 124 10.588 3.763 3.216 1.00 0.00 C ATOM 0 H ALA A 124 12.268 1.953 3.816 1.00 0.00 H new ATOM 0 HA ALA A 124 10.387 3.593 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.637 4.279 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.392 4.496 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.769 3.110 2.362 1.00 0.00 H new ATOM 493 N ARG A 125 8.278 2.304 5.113 1.00 0.00 N ATOM 494 CA ARG A 125 7.090 1.457 5.130 1.00 0.00 C ATOM 495 C ARG A 125 5.839 2.271 4.804 1.00 0.00 C ATOM 496 O ARG A 125 5.608 3.334 5.381 1.00 0.00 O ATOM 497 CB ARG A 125 6.936 0.770 6.491 1.00 0.00 C ATOM 498 CG ARG A 125 6.722 1.731 7.649 1.00 0.00 C ATOM 499 CD ARG A 125 6.536 0.982 8.958 1.00 0.00 C ATOM 500 NE ARG A 125 5.414 0.047 8.897 1.00 0.00 N ATOM 501 CZ ARG A 125 5.059 -0.749 9.901 1.00 0.00 C ATOM 502 NH1 ARG A 125 5.732 -0.725 11.043 1.00 0.00 N ATOM 503 NH2 ARG A 125 4.029 -1.573 9.762 1.00 0.00 N ATOM 0 H ARG A 125 8.192 3.165 5.654 1.00 0.00 H new ATOM 0 HA ARG A 125 7.211 0.690 4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.093 0.080 6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 125 7.826 0.173 6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.576 2.403 7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 125 5.847 2.350 7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 125 7.449 0.438 9.198 1.00 0.00 H new ATOM 0 HD3 ARG A 125 6.370 1.696 9.764 1.00 0.00 H new ATOM 0 HE ARG A 125 4.872 0.003 8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 125 6.526 -0.094 11.154 1.00 0.00 H new ATOM 0 HH12 ARG A 125 5.456 -1.337 11.811 1.00 0.00 H new ATOM 0 HH21 ARG A 125 3.509 -1.596 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 125 3.757 -2.184 10.532 1.00 0.00 H new ATOM 517 N VAL A 126 5.042 1.768 3.865 1.00 0.00 N ATOM 518 CA VAL A 126 3.820 2.449 3.449 1.00 0.00 C ATOM 519 C VAL A 126 2.578 1.843 4.097 1.00 0.00 C ATOM 520 O VAL A 126 2.459 0.623 4.221 1.00 0.00 O ATOM 521 CB VAL A 126 3.654 2.409 1.918 1.00 0.00 C ATOM 522 CG1 VAL A 126 4.738 3.233 1.242 1.00 0.00 C ATOM 523 CG2 VAL A 126 3.677 0.975 1.415 1.00 0.00 C ATOM 0 H VAL A 126 5.221 0.890 3.377 1.00 0.00 H new ATOM 0 HA VAL A 126 3.918 3.483 3.779 1.00 0.00 H new ATOM 0 HB VAL A 126 2.687 2.844 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 126 4.605 3.193 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 126 4.671 4.268 1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 126 5.717 2.830 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.558 0.968 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.628 0.512 1.679 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.861 0.416 1.873 1.00 0.00 H new ATOM 533 N GLU A 127 1.651 2.709 4.499 1.00 0.00 N ATOM 534 CA GLU A 127 0.405 2.272 5.124 1.00 0.00 C ATOM 535 C GLU A 127 -0.746 2.353 4.122 1.00 0.00 C ATOM 536 O GLU A 127 -1.004 3.410 3.550 1.00 0.00 O ATOM 537 CB GLU A 127 0.087 3.137 6.350 1.00 0.00 C ATOM 538 CG GLU A 127 1.178 3.133 7.413 1.00 0.00 C ATOM 539 CD GLU A 127 2.394 3.955 7.025 1.00 0.00 C ATOM 540 OE1 GLU A 127 2.346 4.638 5.980 1.00 0.00 O ATOM 541 OE2 GLU A 127 3.391 3.928 7.777 1.00 0.00 O ATOM 0 H GLU A 127 1.740 3.721 4.403 1.00 0.00 H new ATOM 0 HA GLU A 127 0.527 1.237 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.083 4.163 6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.843 2.786 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.769 3.520 8.346 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.488 2.105 7.603 1.00 0.00 H new ATOM 548 N PHE A 128 -1.434 1.234 3.906 1.00 0.00 N ATOM 549 CA PHE A 128 -2.550 1.197 2.963 1.00 0.00 C ATOM 550 C PHE A 128 -3.882 1.498 3.641 1.00 0.00 C ATOM 551 O PHE A 128 -4.129 1.081 4.773 1.00 0.00 O ATOM 552 CB PHE A 128 -2.627 -0.160 2.261 1.00 0.00 C ATOM 553 CG PHE A 128 -1.492 -0.424 1.314 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.187 -0.491 1.773 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.732 -0.602 -0.039 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.855 -0.734 0.901 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.693 -0.844 -0.915 1.00 0.00 C ATOM 558 CZ PHE A 128 0.604 -0.911 -0.444 1.00 0.00 C ATOM 0 H PHE A 128 -1.240 0.346 4.368 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.362 1.975 2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -2.648 -0.947 3.015 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.566 -0.220 1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.017 -0.352 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.744 -0.551 -0.413 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.868 -0.786 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.894 -0.981 -1.967 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.419 -1.101 -1.127 1.00 0.00 H new ATOM 568 N ARG A 129 -4.743 2.212 2.920 1.00 0.00 N ATOM 569 CA ARG A 129 -6.070 2.571 3.412 1.00 0.00 C ATOM 570 C ARG A 129 -7.024 2.752 2.235 1.00 0.00 C ATOM 571 O ARG A 129 -6.747 3.521 1.316 1.00 0.00 O ATOM 572 CB ARG A 129 -6.015 3.861 4.236 1.00 0.00 C ATOM 573 CG ARG A 129 -5.178 3.755 5.494 1.00 0.00 C ATOM 574 CD ARG A 129 -5.179 5.060 6.275 1.00 0.00 C ATOM 575 NE ARG A 129 -6.526 5.455 6.681 1.00 0.00 N ATOM 576 CZ ARG A 129 -7.293 4.742 7.502 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.842 3.607 8.022 1.00 0.00 N ATOM 578 NH2 ARG A 129 -8.511 5.167 7.808 1.00 0.00 N ATOM 0 H ARG A 129 -4.541 2.557 1.982 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.429 1.767 4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.615 4.661 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.030 4.148 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.564 2.953 6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.155 3.488 5.230 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -4.551 4.954 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.739 5.848 5.664 1.00 0.00 H new ATOM 0 HE ARG A 129 -6.901 6.329 6.313 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.904 3.278 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -7.433 3.064 8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -8.860 6.041 7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -9.099 4.620 8.437 1.00 0.00 H new ATOM 592 N CYS A 130 -8.141 2.031 2.255 1.00 0.00 N ATOM 593 CA CYS A 130 -9.116 2.114 1.172 1.00 0.00 C ATOM 594 C CYS A 130 -10.147 3.211 1.431 1.00 0.00 C ATOM 595 O CYS A 130 -10.286 3.697 2.554 1.00 0.00 O ATOM 596 CB CYS A 130 -9.817 0.769 0.973 1.00 0.00 C ATOM 597 SG CYS A 130 -10.827 0.693 -0.542 1.00 0.00 S ATOM 0 H CYS A 130 -8.393 1.386 3.004 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.574 2.368 0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -9.067 -0.021 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.453 0.569 1.835 1.00 0.00 H new ATOM 602 N ASP A 131 -10.865 3.594 0.376 1.00 0.00 N ATOM 603 CA ASP A 131 -11.888 4.633 0.465 1.00 0.00 C ATOM 604 C ASP A 131 -12.888 4.334 1.583 1.00 0.00 C ATOM 605 O ASP A 131 -13.044 3.184 1.992 1.00 0.00 O ATOM 606 CB ASP A 131 -12.625 4.763 -0.873 1.00 0.00 C ATOM 607 CG ASP A 131 -13.311 3.477 -1.286 1.00 0.00 C ATOM 608 OD1 ASP A 131 -14.190 3.006 -0.536 1.00 0.00 O ATOM 609 OD2 ASP A 131 -12.969 2.941 -2.361 1.00 0.00 O ATOM 0 H ASP A 131 -10.755 3.196 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.391 5.575 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -13.366 5.559 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -11.916 5.058 -1.647 1.00 0.00 H new ATOM 614 N PRO A 132 -13.570 5.377 2.101 1.00 0.00 N ATOM 615 CA PRO A 132 -14.556 5.239 3.181 1.00 0.00 C ATOM 616 C PRO A 132 -15.853 4.573 2.720 1.00 0.00 C ATOM 617 O PRO A 132 -16.943 5.102 2.939 1.00 0.00 O ATOM 618 CB PRO A 132 -14.831 6.686 3.623 1.00 0.00 C ATOM 619 CG PRO A 132 -13.818 7.529 2.918 1.00 0.00 C ATOM 620 CD PRO A 132 -13.432 6.777 1.681 1.00 0.00 C ATOM 0 HA PRO A 132 -14.177 4.601 3.979 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -15.844 6.989 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -14.740 6.788 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -14.232 8.505 2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -12.950 7.705 3.553 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -14.086 7.015 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.414 7.008 1.368 1.00 0.00 H new ATOM 628 N ASP A 133 -15.725 3.411 2.089 1.00 0.00 N ATOM 629 CA ASP A 133 -16.874 2.661 1.599 1.00 0.00 C ATOM 630 C ASP A 133 -16.519 1.183 1.479 1.00 0.00 C ATOM 631 O ASP A 133 -17.332 0.308 1.773 1.00 0.00 O ATOM 632 CB ASP A 133 -17.336 3.199 0.242 1.00 0.00 C ATOM 633 CG ASP A 133 -17.804 4.640 0.313 1.00 0.00 C ATOM 634 OD1 ASP A 133 -18.790 4.910 1.030 1.00 0.00 O ATOM 635 OD2 ASP A 133 -17.182 5.499 -0.348 1.00 0.00 O ATOM 0 H ASP A 133 -14.827 2.965 1.904 1.00 0.00 H new ATOM 0 HA ASP A 133 -17.690 2.778 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -16.517 3.122 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -18.147 2.576 -0.134 1.00 0.00 H new ATOM 640 N PHE A 134 -15.287 0.921 1.056 1.00 0.00 N ATOM 641 CA PHE A 134 -14.794 -0.442 0.903 1.00 0.00 C ATOM 642 C PHE A 134 -13.776 -0.747 1.997 1.00 0.00 C ATOM 643 O PHE A 134 -13.039 0.141 2.428 1.00 0.00 O ATOM 644 CB PHE A 134 -14.145 -0.637 -0.472 1.00 0.00 C ATOM 645 CG PHE A 134 -15.070 -0.404 -1.638 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.746 0.797 -1.782 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.257 -1.391 -2.592 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.590 1.010 -2.855 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.099 -1.184 -3.668 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.766 0.018 -3.799 1.00 0.00 C ATOM 0 H PHE A 134 -14.607 1.641 0.811 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.639 -1.125 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.295 0.040 -0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.752 -1.652 -0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.611 1.576 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.739 -2.333 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.111 1.951 -2.955 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.235 -1.961 -4.405 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.425 0.182 -4.639 1.00 0.00 H new ATOM 660 N HIS A 135 -13.737 -1.994 2.449 1.00 0.00 N ATOM 661 CA HIS A 135 -12.803 -2.384 3.497 1.00 0.00 C ATOM 662 C HIS A 135 -11.581 -3.087 2.912 1.00 0.00 C ATOM 663 O HIS A 135 -11.701 -3.976 2.067 1.00 0.00 O ATOM 664 CB HIS A 135 -13.495 -3.280 4.526 1.00 0.00 C ATOM 665 CG HIS A 135 -14.135 -4.498 3.938 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.112 -4.439 2.968 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.942 -5.812 4.196 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.494 -5.664 2.656 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.799 -6.516 3.387 1.00 0.00 N ATOM 0 H HIS A 135 -14.336 -2.747 2.110 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.462 -1.478 3.998 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.764 -3.590 5.273 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -14.255 -2.698 5.047 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.244 -6.229 4.906 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.247 -5.925 1.927 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.885 -7.532 3.356 1.00 0.00 H new ATOM 678 N LEU A 136 -10.406 -2.665 3.370 1.00 0.00 N ATOM 679 CA LEU A 136 -9.143 -3.228 2.907 1.00 0.00 C ATOM 680 C LEU A 136 -8.917 -4.625 3.478 1.00 0.00 C ATOM 681 O LEU A 136 -9.012 -4.835 4.687 1.00 0.00 O ATOM 682 CB LEU A 136 -7.991 -2.299 3.300 1.00 0.00 C ATOM 683 CG LEU A 136 -6.585 -2.825 3.011 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.451 -3.247 1.555 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.547 -1.770 3.358 1.00 0.00 C ATOM 0 H LEU A 136 -10.303 -1.928 4.068 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.182 -3.317 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -8.119 -1.351 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -8.067 -2.087 4.367 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.413 -3.703 3.634 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.442 -3.617 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.171 -4.036 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.644 -2.391 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.550 -2.157 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.723 -0.876 2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.623 -1.519 4.416 1.00 0.00 H new ATOM 697 N VAL A 137 -8.619 -5.577 2.597 1.00 0.00 N ATOM 698 CA VAL A 137 -8.381 -6.958 3.006 1.00 0.00 C ATOM 699 C VAL A 137 -7.147 -7.535 2.314 1.00 0.00 C ATOM 700 O VAL A 137 -7.252 -8.472 1.522 1.00 0.00 O ATOM 701 CB VAL A 137 -9.597 -7.852 2.693 1.00 0.00 C ATOM 702 CG1 VAL A 137 -9.401 -9.249 3.266 1.00 0.00 C ATOM 703 CG2 VAL A 137 -10.876 -7.226 3.227 1.00 0.00 C ATOM 0 H VAL A 137 -8.537 -5.416 1.593 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.215 -6.945 4.083 1.00 0.00 H new ATOM 0 HB VAL A 137 -9.686 -7.938 1.610 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -10.271 -9.863 3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -8.511 -9.700 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -9.281 -9.185 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -11.722 -7.873 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -10.798 -7.104 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.026 -6.252 2.762 1.00 0.00 H new ATOM 713 N GLY A 138 -5.978 -6.968 2.599 1.00 0.00 N ATOM 714 CA GLY A 138 -4.763 -7.453 1.974 1.00 0.00 C ATOM 715 C GLY A 138 -3.511 -6.819 2.543 1.00 0.00 C ATOM 716 O GLY A 138 -3.259 -6.894 3.745 1.00 0.00 O ATOM 0 H GLY A 138 -5.852 -6.189 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.704 -8.534 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.809 -7.256 0.903 1.00 0.00 H new ATOM 720 N SER A 139 -2.723 -6.207 1.664 1.00 0.00 N ATOM 721 CA SER A 139 -1.479 -5.550 2.046 1.00 0.00 C ATOM 722 C SER A 139 -1.737 -4.266 2.831 1.00 0.00 C ATOM 723 O SER A 139 -1.208 -3.207 2.493 1.00 0.00 O ATOM 724 CB SER A 139 -0.658 -5.234 0.796 1.00 0.00 C ATOM 725 OG SER A 139 0.501 -4.486 1.114 1.00 0.00 O ATOM 0 H SER A 139 -2.930 -6.153 0.667 1.00 0.00 H new ATOM 0 HA SER A 139 -0.925 -6.231 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.370 -6.163 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 139 -1.271 -4.675 0.088 1.00 0.00 H new ATOM 0 HG SER A 139 0.927 -4.866 1.910 1.00 0.00 H new ATOM 731 N SER A 140 -2.541 -4.362 3.882 1.00 0.00 N ATOM 732 CA SER A 140 -2.849 -3.208 4.712 1.00 0.00 C ATOM 733 C SER A 140 -1.563 -2.582 5.239 1.00 0.00 C ATOM 734 O SER A 140 -1.509 -1.386 5.523 1.00 0.00 O ATOM 735 CB SER A 140 -3.759 -3.617 5.870 1.00 0.00 C ATOM 736 OG SER A 140 -4.045 -2.511 6.710 1.00 0.00 O ATOM 0 H SER A 140 -2.991 -5.228 4.179 1.00 0.00 H new ATOM 0 HA SER A 140 -3.372 -2.468 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 140 -4.689 -4.030 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 140 -3.281 -4.405 6.452 1.00 0.00 H new ATOM 0 HG SER A 140 -4.630 -2.799 7.442 1.00 0.00 H new ATOM 742 N ARG A 141 -0.525 -3.406 5.350 1.00 0.00 N ATOM 743 CA ARG A 141 0.776 -2.952 5.825 1.00 0.00 C ATOM 744 C ARG A 141 1.873 -3.471 4.904 1.00 0.00 C ATOM 745 O ARG A 141 1.924 -4.662 4.602 1.00 0.00 O ATOM 746 CB ARG A 141 1.021 -3.439 7.254 1.00 0.00 C ATOM 747 CG ARG A 141 -0.122 -3.125 8.203 1.00 0.00 C ATOM 748 CD ARG A 141 -0.295 -1.629 8.411 1.00 0.00 C ATOM 749 NE ARG A 141 0.883 -1.018 9.020 1.00 0.00 N ATOM 750 CZ ARG A 141 0.944 0.257 9.387 1.00 0.00 C ATOM 751 NH1 ARG A 141 -0.107 1.049 9.220 1.00 0.00 N ATOM 752 NH2 ARG A 141 2.054 0.742 9.924 1.00 0.00 N ATOM 0 H ARG A 141 -0.562 -4.398 5.115 1.00 0.00 H new ATOM 0 HA ARG A 141 0.790 -1.862 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 141 1.186 -4.516 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 141 1.935 -2.982 7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 141 -1.047 -3.545 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 141 0.062 -3.606 9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.496 -1.151 7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -1.164 -1.450 9.044 1.00 0.00 H new ATOM 0 HE ARG A 141 1.705 -1.603 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.964 0.679 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.058 2.028 9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 141 2.864 0.136 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 141 2.099 1.721 10.205 1.00 0.00 H new ATOM 766 N SER A 142 2.738 -2.572 4.454 1.00 0.00 N ATOM 767 CA SER A 142 3.825 -2.938 3.549 1.00 0.00 C ATOM 768 C SER A 142 5.100 -2.171 3.879 1.00 0.00 C ATOM 769 O SER A 142 5.050 -1.033 4.344 1.00 0.00 O ATOM 770 CB SER A 142 3.419 -2.662 2.100 1.00 0.00 C ATOM 771 OG SER A 142 4.458 -3.015 1.203 1.00 0.00 O ATOM 0 H SER A 142 2.710 -1.582 4.700 1.00 0.00 H new ATOM 0 HA SER A 142 4.022 -4.003 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 142 2.518 -3.226 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 142 3.176 -1.606 1.982 1.00 0.00 H new ATOM 0 HG SER A 142 4.625 -2.271 0.587 1.00 0.00 H new ATOM 777 N VAL A 143 6.241 -2.806 3.632 1.00 0.00 N ATOM 778 CA VAL A 143 7.534 -2.191 3.898 1.00 0.00 C ATOM 779 C VAL A 143 8.556 -2.596 2.838 1.00 0.00 C ATOM 780 O VAL A 143 8.693 -3.774 2.507 1.00 0.00 O ATOM 781 CB VAL A 143 8.057 -2.574 5.295 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.167 -4.086 5.431 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.395 -1.905 5.571 1.00 0.00 C ATOM 0 H VAL A 143 6.295 -3.749 3.247 1.00 0.00 H new ATOM 0 HA VAL A 143 7.394 -1.111 3.863 1.00 0.00 H new ATOM 0 HB VAL A 143 7.343 -2.218 6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 143 8.538 -4.336 6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.185 -4.537 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 143 8.857 -4.470 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 143 9.746 -2.189 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.122 -2.223 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.277 -0.822 5.524 1.00 0.00 H new ATOM 793 N CYS A 144 9.258 -1.605 2.301 1.00 0.00 N ATOM 794 CA CYS A 144 10.261 -1.838 1.267 1.00 0.00 C ATOM 795 C CYS A 144 11.471 -2.589 1.817 1.00 0.00 C ATOM 796 O CYS A 144 11.882 -2.376 2.958 1.00 0.00 O ATOM 797 CB CYS A 144 10.705 -0.507 0.661 1.00 0.00 C ATOM 798 SG CYS A 144 11.898 -0.673 -0.706 1.00 0.00 S ATOM 0 H CYS A 144 9.150 -0.626 2.566 1.00 0.00 H new ATOM 0 HA CYS A 144 9.806 -2.457 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.826 0.026 0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 144 11.150 0.106 1.445 1.00 0.00 H new ATOM 803 N SER A 145 12.039 -3.464 0.990 1.00 0.00 N ATOM 804 CA SER A 145 13.208 -4.247 1.378 1.00 0.00 C ATOM 805 C SER A 145 13.751 -5.029 0.182 1.00 0.00 C ATOM 806 O SER A 145 13.001 -5.713 -0.515 1.00 0.00 O ATOM 807 CB SER A 145 12.846 -5.205 2.516 1.00 0.00 C ATOM 808 OG SER A 145 14.001 -5.826 3.049 1.00 0.00 O ATOM 0 H SER A 145 11.706 -3.648 0.044 1.00 0.00 H new ATOM 0 HA SER A 145 13.984 -3.564 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 145 12.327 -4.659 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 145 12.157 -5.966 2.149 1.00 0.00 H new ATOM 0 HG SER A 145 13.989 -6.781 2.831 1.00 0.00 H new ATOM 814 N GLN A 146 15.056 -4.912 -0.058 1.00 0.00 N ATOM 815 CA GLN A 146 15.700 -5.594 -1.181 1.00 0.00 C ATOM 816 C GLN A 146 15.039 -5.216 -2.504 1.00 0.00 C ATOM 817 O GLN A 146 14.784 -6.075 -3.348 1.00 0.00 O ATOM 818 CB GLN A 146 15.661 -7.116 -1.003 1.00 0.00 C ATOM 819 CG GLN A 146 16.530 -7.630 0.134 1.00 0.00 C ATOM 820 CD GLN A 146 15.946 -7.339 1.500 1.00 0.00 C ATOM 821 OE1 GLN A 146 14.870 -7.829 1.841 1.00 0.00 O ATOM 822 NE2 GLN A 146 16.651 -6.537 2.289 1.00 0.00 N ATOM 0 H GLN A 146 15.690 -4.350 0.511 1.00 0.00 H new ATOM 0 HA GLN A 146 16.741 -5.271 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 146 14.630 -7.424 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 146 15.980 -7.588 -1.932 1.00 0.00 H new ATOM 0 HG2 GLN A 146 16.665 -8.706 0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 146 17.518 -7.176 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 146 17.539 -6.153 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.305 -6.304 3.220 1.00 0.00 H new ATOM 831 N GLY A 147 14.762 -3.927 -2.678 1.00 0.00 N ATOM 832 CA GLY A 147 14.133 -3.461 -3.900 1.00 0.00 C ATOM 833 C GLY A 147 12.808 -4.149 -4.164 1.00 0.00 C ATOM 834 O GLY A 147 12.513 -4.533 -5.296 1.00 0.00 O ATOM 0 H GLY A 147 14.962 -3.197 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.975 -2.384 -3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.804 -3.635 -4.741 1.00 0.00 H new ATOM 838 N GLN A 148 12.008 -4.304 -3.112 1.00 0.00 N ATOM 839 CA GLN A 148 10.705 -4.951 -3.222 1.00 0.00 C ATOM 840 C GLN A 148 9.953 -4.865 -1.899 1.00 0.00 C ATOM 841 O GLN A 148 10.543 -5.009 -0.829 1.00 0.00 O ATOM 842 CB GLN A 148 10.868 -6.417 -3.635 1.00 0.00 C ATOM 843 CG GLN A 148 9.549 -7.158 -3.801 1.00 0.00 C ATOM 844 CD GLN A 148 8.696 -6.624 -4.942 1.00 0.00 C ATOM 845 OE1 GLN A 148 9.237 -5.682 -5.709 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 7.564 -7.065 -5.137 1.00 0.00 N flip ATOM 0 H GLN A 148 12.241 -3.989 -2.170 1.00 0.00 H new ATOM 0 HA GLN A 148 10.130 -4.431 -3.988 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.420 -6.461 -4.574 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.471 -6.931 -2.887 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.754 -8.215 -3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 148 8.983 -7.091 -2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 148 7.186 -7.788 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 148 7.004 -6.708 -5.911 1.00 0.00 H new ATOM 855 N TRP A 149 8.650 -4.623 -1.974 1.00 0.00 N ATOM 856 CA TRP A 149 7.828 -4.512 -0.775 1.00 0.00 C ATOM 857 C TRP A 149 7.380 -5.886 -0.292 1.00 0.00 C ATOM 858 O TRP A 149 7.062 -6.765 -1.092 1.00 0.00 O ATOM 859 CB TRP A 149 6.615 -3.621 -1.041 1.00 0.00 C ATOM 860 CG TRP A 149 6.987 -2.262 -1.551 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.327 -1.930 -2.831 1.00 0.00 C ATOM 862 CD2 TRP A 149 7.085 -1.056 -0.784 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.615 -0.589 -2.911 1.00 0.00 N ATOM 864 CE2 TRP A 149 7.476 -0.032 -1.667 1.00 0.00 C ATOM 865 CE3 TRP A 149 6.875 -0.744 0.560 1.00 0.00 C ATOM 866 CZ2 TRP A 149 7.661 1.283 -1.246 1.00 0.00 C ATOM 867 CZ3 TRP A 149 7.061 0.561 0.977 1.00 0.00 C ATOM 868 CH2 TRP A 149 7.450 1.560 0.077 1.00 0.00 C ATOM 0 H TRP A 149 8.141 -4.500 -2.849 1.00 0.00 H new ATOM 0 HA TRP A 149 8.433 -4.056 0.009 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.964 -4.110 -1.766 1.00 0.00 H new ATOM 0 HB3 TRP A 149 6.042 -3.513 -0.120 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.364 -2.621 -3.660 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.888 -0.090 -3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 149 6.573 -1.508 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 7.960 2.056 -1.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 6.903 0.814 2.015 1.00 0.00 H new ATOM 0 HH2 TRP A 149 7.586 2.570 0.434 1.00 0.00 H new ATOM 879 N SER A 150 7.374 -6.064 1.027 1.00 0.00 N ATOM 880 CA SER A 150 6.982 -7.333 1.630 1.00 0.00 C ATOM 881 C SER A 150 5.605 -7.778 1.149 1.00 0.00 C ATOM 882 O SER A 150 5.464 -8.844 0.550 1.00 0.00 O ATOM 883 CB SER A 150 6.986 -7.212 3.154 1.00 0.00 C ATOM 884 OG SER A 150 8.271 -6.863 3.637 1.00 0.00 O ATOM 0 H SER A 150 7.637 -5.343 1.699 1.00 0.00 H new ATOM 0 HA SER A 150 7.707 -8.087 1.323 1.00 0.00 H new ATOM 0 HB2 SER A 150 6.261 -6.459 3.463 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.672 -8.157 3.597 1.00 0.00 H new ATOM 0 HG SER A 150 8.245 -6.791 4.614 1.00 0.00 H new ATOM 890 N THR A 151 4.590 -6.963 1.418 1.00 0.00 N ATOM 891 CA THR A 151 3.227 -7.288 1.012 1.00 0.00 C ATOM 892 C THR A 151 2.871 -6.656 -0.336 1.00 0.00 C ATOM 893 O THR A 151 3.051 -5.455 -0.534 1.00 0.00 O ATOM 894 CB THR A 151 2.213 -6.827 2.070 1.00 0.00 C ATOM 895 OG1 THR A 151 2.386 -5.430 2.324 1.00 0.00 O ATOM 896 CG2 THR A 151 2.383 -7.608 3.364 1.00 0.00 C ATOM 0 H THR A 151 4.685 -6.076 1.913 1.00 0.00 H new ATOM 0 HA THR A 151 3.179 -8.372 0.912 1.00 0.00 H new ATOM 0 HB THR A 151 1.209 -7.010 1.688 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.474 -5.281 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 151 1.653 -7.262 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 151 2.229 -8.670 3.171 1.00 0.00 H new ATOM 0 HG23 THR A 151 3.389 -7.453 3.753 1.00 0.00 H new ATOM 904 N PRO A 152 2.349 -7.465 -1.280 1.00 0.00 N ATOM 905 CA PRO A 152 1.957 -6.986 -2.611 1.00 0.00 C ATOM 906 C PRO A 152 0.641 -6.211 -2.583 1.00 0.00 C ATOM 907 O PRO A 152 -0.229 -6.491 -1.760 1.00 0.00 O ATOM 908 CB PRO A 152 1.801 -8.277 -3.413 1.00 0.00 C ATOM 909 CG PRO A 152 1.411 -9.301 -2.404 1.00 0.00 C ATOM 910 CD PRO A 152 2.096 -8.911 -1.119 1.00 0.00 C ATOM 0 HA PRO A 152 2.686 -6.292 -3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 152 1.041 -8.173 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.731 -8.548 -3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 152 0.329 -9.328 -2.275 1.00 0.00 H new ATOM 0 HG3 PRO A 152 1.719 -10.297 -2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.466 -9.113 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.023 -9.466 -0.975 1.00 0.00 H new ATOM 918 N LYS A 153 0.504 -5.236 -3.484 1.00 0.00 N ATOM 919 CA LYS A 153 -0.707 -4.416 -3.559 1.00 0.00 C ATOM 920 C LYS A 153 -1.965 -5.265 -3.365 1.00 0.00 C ATOM 921 O LYS A 153 -2.150 -6.279 -4.038 1.00 0.00 O ATOM 922 CB LYS A 153 -0.774 -3.690 -4.907 1.00 0.00 C ATOM 923 CG LYS A 153 0.359 -2.700 -5.128 1.00 0.00 C ATOM 924 CD LYS A 153 0.281 -1.526 -4.162 1.00 0.00 C ATOM 925 CE LYS A 153 -0.968 -0.689 -4.391 1.00 0.00 C ATOM 926 NZ LYS A 153 -1.014 -0.124 -5.769 1.00 0.00 N ATOM 0 H LYS A 153 1.217 -4.995 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.662 -3.681 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.760 -4.429 -5.708 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.725 -3.162 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 153 1.315 -3.209 -5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 153 0.324 -2.330 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 153 0.287 -1.897 -3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 153 1.165 -0.899 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -1.852 -1.303 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -0.999 0.123 -3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.276 0.882 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -0.079 -0.219 -6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -1.720 -0.640 -6.332 1.00 0.00 H new ATOM 940 N PRO A 154 -2.841 -4.865 -2.422 1.00 0.00 N ATOM 941 CA PRO A 154 -4.076 -5.593 -2.121 1.00 0.00 C ATOM 942 C PRO A 154 -5.232 -5.243 -3.051 1.00 0.00 C ATOM 943 O PRO A 154 -5.033 -4.908 -4.219 1.00 0.00 O ATOM 944 CB PRO A 154 -4.392 -5.131 -0.704 1.00 0.00 C ATOM 945 CG PRO A 154 -3.880 -3.732 -0.646 1.00 0.00 C ATOM 946 CD PRO A 154 -2.684 -3.676 -1.562 1.00 0.00 C ATOM 0 HA PRO A 154 -3.948 -6.669 -2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.463 -5.171 -0.503 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.904 -5.763 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.646 -3.025 -0.964 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.601 -3.463 0.373 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.672 -2.757 -2.148 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.750 -3.708 -1.002 1.00 0.00 H new ATOM 954 N HIS A 155 -6.444 -5.323 -2.506 1.00 0.00 N ATOM 955 CA HIS A 155 -7.657 -5.019 -3.253 1.00 0.00 C ATOM 956 C HIS A 155 -8.764 -4.564 -2.305 1.00 0.00 C ATOM 957 O HIS A 155 -8.810 -4.983 -1.149 1.00 0.00 O ATOM 958 CB HIS A 155 -8.114 -6.243 -4.050 1.00 0.00 C ATOM 959 CG HIS A 155 -8.281 -7.477 -3.217 1.00 0.00 C ATOM 960 ND1 HIS A 155 -7.241 -8.067 -2.528 1.00 0.00 N ATOM 961 CD2 HIS A 155 -9.374 -8.236 -2.965 1.00 0.00 C ATOM 962 CE1 HIS A 155 -7.687 -9.136 -1.890 1.00 0.00 C ATOM 963 NE2 HIS A 155 -8.977 -9.259 -2.139 1.00 0.00 N ATOM 0 H HIS A 155 -6.610 -5.599 -1.538 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.440 -4.210 -3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.061 -6.014 -4.538 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.389 -6.443 -4.839 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -10.372 -8.068 -3.343 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -7.097 -9.795 -1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -9.582 -9.996 -1.776 1.00 0.00 H new ATOM 972 N CYS A 156 -9.655 -3.709 -2.798 1.00 0.00 N ATOM 973 CA CYS A 156 -10.755 -3.209 -1.981 1.00 0.00 C ATOM 974 C CYS A 156 -12.013 -4.041 -2.194 1.00 0.00 C ATOM 975 O CYS A 156 -12.451 -4.243 -3.327 1.00 0.00 O ATOM 976 CB CYS A 156 -11.057 -1.746 -2.313 1.00 0.00 C ATOM 977 SG CYS A 156 -9.792 -0.560 -1.760 1.00 0.00 S ATOM 0 H CYS A 156 -9.637 -3.350 -3.753 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.449 -3.285 -0.938 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.177 -1.650 -3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -12.011 -1.475 -1.861 1.00 0.00 H new ATOM 982 N GLN A 157 -12.592 -4.515 -1.096 1.00 0.00 N ATOM 983 CA GLN A 157 -13.804 -5.319 -1.161 1.00 0.00 C ATOM 984 C GLN A 157 -15.019 -4.488 -0.761 1.00 0.00 C ATOM 985 O GLN A 157 -14.969 -3.729 0.207 1.00 0.00 O ATOM 986 CB GLN A 157 -13.680 -6.544 -0.252 1.00 0.00 C ATOM 987 CG GLN A 157 -14.864 -7.492 -0.344 1.00 0.00 C ATOM 988 CD GLN A 157 -14.690 -8.724 0.522 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.552 -8.625 1.741 1.00 0.00 O ATOM 990 NE2 GLN A 157 -14.697 -9.893 -0.105 1.00 0.00 N ATOM 0 H GLN A 157 -12.241 -4.356 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 157 -13.937 -5.657 -2.189 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.770 -7.086 -0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.571 -6.211 0.780 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.770 -6.966 -0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -15.001 -7.797 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.814 -9.928 -1.118 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -14.585 -10.757 0.426 1.00 0.00 H new ATOM 999 N VAL A 158 -16.109 -4.638 -1.506 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.330 -3.903 -1.221 1.00 0.00 C ATOM 1001 C VAL A 158 -18.174 -4.651 -0.202 1.00 0.00 C ATOM 1002 O VAL A 158 -18.405 -5.853 -0.335 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.161 -3.661 -2.499 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.597 -4.979 -3.121 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.363 -2.781 -2.194 1.00 0.00 C ATOM 0 H VAL A 158 -16.169 -5.262 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.038 -2.935 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 158 -17.532 -3.142 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.181 -4.782 -4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -17.717 -5.567 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.206 -5.534 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -19.937 -2.621 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -19.992 -3.270 -1.450 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.022 -1.821 -1.807 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.626 -3.942 0.821 1.00 0.00 N ATOM 1016 CA ASN A 159 -19.435 -4.558 1.858 1.00 0.00 C ATOM 1017 C ASN A 159 -20.766 -5.044 1.291 1.00 0.00 C ATOM 1018 O ASN A 159 -20.980 -6.274 1.259 1.00 0.00 O ATOM 1019 CB ASN A 159 -19.682 -3.578 3.007 1.00 0.00 C ATOM 1020 CG ASN A 159 -18.396 -3.136 3.678 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -17.625 -3.959 4.172 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -18.161 -1.829 3.705 1.00 0.00 N ATOM 1023 OXT ASN A 159 -21.583 -4.191 0.886 1.00 0.00 O ATOM 0 H ASN A 159 -18.447 -2.947 0.954 1.00 0.00 H new ATOM 0 HA ASN A 159 -18.886 -5.417 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -20.210 -2.703 2.627 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -20.332 -4.046 3.746 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -17.314 -1.472 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.827 -1.182 3.283 1.00 0.00 H new TER 1030 ASN A 159