USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 155 HIS :FLIP no HD1:sc= -0.909 F(o=-3.4,f=-1.4) USER MOD Set 1.2: A 157 GLN :FLIP amide:sc= -0.534 F(o=-3.4!,f=-1.4) USER MOD Set 2.1: A 142 SER OG : rot -37:sc= 0.719 USER MOD Set 2.2: A 151 THR OG1 : rot -130:sc= -1.14! USER MOD Set 3.1: A 103 TYR OH : rot 133:sc= -1.28 USER MOD Set 3.2: A 148 GLN :FLIP amide:sc= 0.229 F(o=-3.2!,f=-1.1) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.0291 (180deg=-0.218) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.232 F(o=-2.5!,f=-0.23) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -14:sc= 0.142 USER MOD Single : A 135 HIS : no HD1:sc= -0.719 K(o=-0.72,f=-4!) USER MOD Single : A 139 SER OG : rot -177:sc= -0.206 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 145 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 146 GLN : amide:sc= -2.96! C(o=-3!,f=-3!) USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -155:sc= -5.01! (180deg=-5.53!) USER MOD Single : A 159 ASN : amide:sc= -0.972 K(o=-0.97,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 92 24.313 -1.104 -4.016 1.00 0.00 N ATOM 2 CA GLU A 92 25.784 -1.031 -3.816 1.00 0.00 C ATOM 3 C GLU A 92 26.401 0.096 -4.639 1.00 0.00 C ATOM 4 O GLU A 92 27.219 0.867 -4.135 1.00 0.00 O ATOM 5 CB GLU A 92 26.397 -2.378 -4.210 1.00 0.00 C ATOM 6 CG GLU A 92 26.076 -2.805 -5.634 1.00 0.00 C ATOM 7 CD GLU A 92 26.695 -4.140 -5.999 1.00 0.00 C ATOM 8 OE1 GLU A 92 27.377 -4.735 -5.138 1.00 0.00 O ATOM 9 OE2 GLU A 92 26.497 -4.592 -7.147 1.00 0.00 O ATOM 0 HA GLU A 92 25.992 -0.817 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 92 27.479 -2.322 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 92 26.040 -3.144 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.994 -2.865 -5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 92 26.433 -2.043 -6.327 1.00 0.00 H new ATOM 18 N ALA A 93 26.002 0.187 -5.906 1.00 0.00 N ATOM 19 CA ALA A 93 26.514 1.218 -6.802 1.00 0.00 C ATOM 20 C ALA A 93 25.844 1.138 -8.169 1.00 0.00 C ATOM 21 O ALA A 93 25.666 0.050 -8.719 1.00 0.00 O ATOM 22 CB ALA A 93 28.023 1.091 -6.949 1.00 0.00 C ATOM 0 H ALA A 93 25.324 -0.443 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 93 26.282 2.189 -6.365 1.00 0.00 H new ATOM 0 HB1 ALA A 93 28.390 1.867 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 93 28.494 1.203 -5.973 1.00 0.00 H new ATOM 0 HB3 ALA A 93 28.267 0.111 -7.359 1.00 0.00 H new ATOM 28 N GLU A 94 25.479 2.299 -8.712 1.00 0.00 N ATOM 29 CA GLU A 94 24.830 2.374 -10.020 1.00 0.00 C ATOM 30 C GLU A 94 23.458 1.705 -10.001 1.00 0.00 C ATOM 31 O GLU A 94 23.294 0.611 -9.462 1.00 0.00 O ATOM 32 CB GLU A 94 25.712 1.733 -11.095 1.00 0.00 C ATOM 33 CG GLU A 94 25.076 1.711 -12.477 1.00 0.00 C ATOM 34 CD GLU A 94 24.817 3.099 -13.034 1.00 0.00 C ATOM 35 OE1 GLU A 94 25.171 4.089 -12.360 1.00 0.00 O ATOM 36 OE2 GLU A 94 24.261 3.195 -14.149 1.00 0.00 O ATOM 0 H GLU A 94 25.623 3.204 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 94 24.689 3.428 -10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 94 26.656 2.275 -11.148 1.00 0.00 H new ATOM 0 HB3 GLU A 94 25.947 0.711 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 94 25.727 1.167 -13.161 1.00 0.00 H new ATOM 0 HG3 GLU A 94 24.135 1.164 -12.429 1.00 0.00 H new ATOM 43 N PHE A 95 22.478 2.376 -10.604 1.00 0.00 N ATOM 44 CA PHE A 95 21.112 1.864 -10.672 1.00 0.00 C ATOM 45 C PHE A 95 20.524 1.667 -9.278 1.00 0.00 C ATOM 46 O PHE A 95 20.927 0.765 -8.543 1.00 0.00 O ATOM 47 CB PHE A 95 21.079 0.541 -11.444 1.00 0.00 C ATOM 48 CG PHE A 95 19.708 -0.065 -11.556 1.00 0.00 C ATOM 49 CD1 PHE A 95 18.643 0.675 -12.045 1.00 0.00 C ATOM 50 CD2 PHE A 95 19.485 -1.377 -11.169 1.00 0.00 C ATOM 51 CE1 PHE A 95 17.382 0.118 -12.147 1.00 0.00 C ATOM 52 CE2 PHE A 95 18.227 -1.939 -11.269 1.00 0.00 C ATOM 53 CZ PHE A 95 17.173 -1.190 -11.758 1.00 0.00 C ATOM 0 H PHE A 95 22.607 3.282 -11.055 1.00 0.00 H new ATOM 0 HA PHE A 95 20.505 2.602 -11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 95 21.475 0.706 -12.446 1.00 0.00 H new ATOM 0 HB3 PHE A 95 21.741 -0.172 -10.953 1.00 0.00 H new ATOM 0 HD1 PHE A 95 18.800 1.699 -12.350 1.00 0.00 H new ATOM 0 HD2 PHE A 95 20.304 -1.967 -10.785 1.00 0.00 H new ATOM 0 HE1 PHE A 95 16.561 0.706 -12.531 1.00 0.00 H new ATOM 0 HE2 PHE A 95 18.067 -2.963 -10.965 1.00 0.00 H new ATOM 0 HZ PHE A 95 16.188 -1.627 -11.836 1.00 0.00 H new ATOM 63 N VAL A 96 19.561 2.511 -8.924 1.00 0.00 N ATOM 64 CA VAL A 96 18.910 2.426 -7.623 1.00 0.00 C ATOM 65 C VAL A 96 17.804 1.373 -7.632 1.00 0.00 C ATOM 66 O VAL A 96 16.958 1.356 -8.527 1.00 0.00 O ATOM 67 CB VAL A 96 18.321 3.785 -7.197 1.00 0.00 C ATOM 68 CG1 VAL A 96 19.430 4.807 -6.999 1.00 0.00 C ATOM 69 CG2 VAL A 96 17.313 4.281 -8.223 1.00 0.00 C ATOM 0 H VAL A 96 19.214 3.262 -9.521 1.00 0.00 H new ATOM 0 HA VAL A 96 19.674 2.136 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 96 17.802 3.651 -6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 96 18.996 5.761 -6.698 1.00 0.00 H new ATOM 0 HG12 VAL A 96 20.112 4.458 -6.224 1.00 0.00 H new ATOM 0 HG13 VAL A 96 19.977 4.935 -7.933 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.910 5.242 -7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 96 17.805 4.398 -9.189 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.501 3.559 -8.314 1.00 0.00 H new ATOM 79 N ARG A 97 17.818 0.495 -6.635 1.00 0.00 N ATOM 80 CA ARG A 97 16.815 -0.560 -6.531 1.00 0.00 C ATOM 81 C ARG A 97 15.608 -0.090 -5.729 1.00 0.00 C ATOM 82 O ARG A 97 15.098 -0.811 -4.870 1.00 0.00 O ATOM 83 CB ARG A 97 17.422 -1.810 -5.892 1.00 0.00 C ATOM 84 CG ARG A 97 18.575 -2.397 -6.691 1.00 0.00 C ATOM 85 CD ARG A 97 19.153 -3.631 -6.015 1.00 0.00 C ATOM 86 NE ARG A 97 20.260 -4.205 -6.776 1.00 0.00 N ATOM 87 CZ ARG A 97 20.132 -4.714 -8.000 1.00 0.00 C ATOM 88 NH1 ARG A 97 18.946 -4.741 -8.593 1.00 0.00 N ATOM 89 NH2 ARG A 97 21.193 -5.202 -8.629 1.00 0.00 N ATOM 0 H ARG A 97 18.512 0.492 -5.888 1.00 0.00 H new ATOM 0 HA ARG A 97 16.478 -0.807 -7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 97 17.773 -1.563 -4.890 1.00 0.00 H new ATOM 0 HB3 ARG A 97 16.645 -2.566 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 97 18.230 -2.657 -7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 97 19.356 -1.646 -6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 97 19.498 -3.368 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 97 18.369 -4.379 -5.895 1.00 0.00 H new ATOM 0 HE ARG A 97 21.184 -4.217 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 97 18.127 -4.371 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 97 18.853 -5.132 -9.531 1.00 0.00 H new ATOM 0 HH21 ARG A 97 22.106 -5.187 -8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.095 -5.592 -9.566 1.00 0.00 H new ATOM 103 N ILE A 98 15.154 1.125 -6.019 1.00 0.00 N ATOM 104 CA ILE A 98 14.006 1.697 -5.332 1.00 0.00 C ATOM 105 C ILE A 98 12.760 0.841 -5.535 1.00 0.00 C ATOM 106 O ILE A 98 12.504 0.352 -6.636 1.00 0.00 O ATOM 107 CB ILE A 98 13.710 3.137 -5.808 1.00 0.00 C ATOM 108 CG1 ILE A 98 13.218 3.152 -7.263 1.00 0.00 C ATOM 109 CG2 ILE A 98 14.948 4.011 -5.652 1.00 0.00 C ATOM 110 CD1 ILE A 98 14.227 2.647 -8.272 1.00 0.00 C ATOM 0 H ILE A 98 15.566 1.732 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 98 14.261 1.723 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 98 12.914 3.542 -5.183 1.00 0.00 H new ATOM 0 HG12 ILE A 98 12.316 2.544 -7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 98 12.937 4.171 -7.528 1.00 0.00 H new ATOM 0 HG21 ILE A 98 14.724 5.022 -5.991 1.00 0.00 H new ATOM 0 HG22 ILE A 98 15.245 4.037 -4.604 1.00 0.00 H new ATOM 0 HG23 ILE A 98 15.762 3.599 -6.249 1.00 0.00 H new ATOM 0 HD11 ILE A 98 13.796 2.693 -9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 98 15.122 3.268 -8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 98 14.491 1.616 -8.038 1.00 0.00 H new ATOM 122 N CYS A 99 11.988 0.663 -4.468 1.00 0.00 N ATOM 123 CA CYS A 99 10.767 -0.132 -4.531 1.00 0.00 C ATOM 124 C CYS A 99 9.784 0.468 -5.534 1.00 0.00 C ATOM 125 O CYS A 99 9.657 1.689 -5.637 1.00 0.00 O ATOM 126 CB CYS A 99 10.124 -0.229 -3.148 1.00 0.00 C ATOM 127 SG CYS A 99 11.149 -1.096 -1.915 1.00 0.00 S ATOM 0 H CYS A 99 12.186 1.059 -3.549 1.00 0.00 H new ATOM 0 HA CYS A 99 11.028 -1.136 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 99 9.911 0.777 -2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 99 9.168 -0.745 -3.238 1.00 0.00 H new ATOM 132 N SER A 100 9.102 -0.401 -6.279 1.00 0.00 N ATOM 133 CA SER A 100 8.139 0.034 -7.287 1.00 0.00 C ATOM 134 C SER A 100 7.187 1.091 -6.733 1.00 0.00 C ATOM 135 O SER A 100 6.577 0.903 -5.680 1.00 0.00 O ATOM 136 CB SER A 100 7.341 -1.163 -7.805 1.00 0.00 C ATOM 137 OG SER A 100 8.194 -2.130 -8.395 1.00 0.00 O ATOM 0 H SER A 100 9.200 -1.413 -6.202 1.00 0.00 H new ATOM 0 HA SER A 100 8.698 0.481 -8.109 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.786 -1.616 -6.984 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.608 -0.825 -8.537 1.00 0.00 H new ATOM 0 HG SER A 100 7.659 -2.886 -8.716 1.00 0.00 H new ATOM 143 N LYS A 101 7.066 2.201 -7.456 1.00 0.00 N ATOM 144 CA LYS A 101 6.190 3.294 -7.050 1.00 0.00 C ATOM 145 C LYS A 101 4.747 3.020 -7.476 1.00 0.00 C ATOM 146 O LYS A 101 3.887 3.898 -7.410 1.00 0.00 O ATOM 147 CB LYS A 101 6.686 4.609 -7.662 1.00 0.00 C ATOM 148 CG LYS A 101 5.934 5.841 -7.183 1.00 0.00 C ATOM 149 CD LYS A 101 6.484 7.113 -7.811 1.00 0.00 C ATOM 150 CE LYS A 101 6.336 7.102 -9.325 1.00 0.00 C ATOM 151 NZ LYS A 101 4.912 6.989 -9.744 1.00 0.00 N ATOM 0 H LYS A 101 7.566 2.367 -8.329 1.00 0.00 H new ATOM 0 HA LYS A 101 6.212 3.374 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.744 4.729 -7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.604 4.546 -8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.877 5.741 -7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.004 5.911 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.961 7.977 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.536 7.223 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 101 6.764 8.015 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.903 6.268 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.833 7.188 -10.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.569 6.026 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.338 7.674 -9.212 1.00 0.00 H new ATOM 165 N SER A 102 4.490 1.791 -7.913 1.00 0.00 N ATOM 166 CA SER A 102 3.155 1.397 -8.352 1.00 0.00 C ATOM 167 C SER A 102 2.176 1.354 -7.182 1.00 0.00 C ATOM 168 O SER A 102 1.023 1.764 -7.312 1.00 0.00 O ATOM 169 CB SER A 102 3.206 0.030 -9.038 1.00 0.00 C ATOM 170 OG SER A 102 1.917 -0.371 -9.471 1.00 0.00 O ATOM 0 H SER A 102 5.189 1.050 -7.973 1.00 0.00 H new ATOM 0 HA SER A 102 2.803 2.145 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.883 0.073 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.609 -0.712 -8.348 1.00 0.00 H new ATOM 0 HG SER A 102 1.976 -1.246 -9.907 1.00 0.00 H new ATOM 176 N TYR A 103 2.640 0.848 -6.044 1.00 0.00 N ATOM 177 CA TYR A 103 1.802 0.741 -4.854 1.00 0.00 C ATOM 178 C TYR A 103 1.288 2.109 -4.409 1.00 0.00 C ATOM 179 O TYR A 103 0.132 2.240 -4.012 1.00 0.00 O ATOM 180 CB TYR A 103 2.573 0.077 -3.708 1.00 0.00 C ATOM 181 CG TYR A 103 2.929 -1.375 -3.957 1.00 0.00 C ATOM 182 CD1 TYR A 103 3.523 -1.779 -5.149 1.00 0.00 C ATOM 183 CD2 TYR A 103 2.673 -2.344 -2.995 1.00 0.00 C ATOM 184 CE1 TYR A 103 3.849 -3.103 -5.372 1.00 0.00 C ATOM 185 CE2 TYR A 103 2.996 -3.670 -3.211 1.00 0.00 C ATOM 186 CZ TYR A 103 3.584 -4.044 -4.400 1.00 0.00 C ATOM 187 OH TYR A 103 3.907 -5.364 -4.619 1.00 0.00 O ATOM 0 H TYR A 103 3.593 0.505 -5.920 1.00 0.00 H new ATOM 0 HA TYR A 103 0.944 0.121 -5.113 1.00 0.00 H new ATOM 0 HB2 TYR A 103 3.490 0.638 -3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.976 0.142 -2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 103 3.733 -1.045 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.213 -2.056 -2.061 1.00 0.00 H new ATOM 0 HE1 TYR A 103 4.309 -3.399 -6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.789 -4.410 -2.452 1.00 0.00 H new ATOM 0 HH TYR A 103 4.371 -5.722 -3.834 1.00 0.00 H new ATOM 197 N LEU A 104 2.150 3.121 -4.472 1.00 0.00 N ATOM 198 CA LEU A 104 1.771 4.473 -4.065 1.00 0.00 C ATOM 199 C LEU A 104 0.453 4.896 -4.707 1.00 0.00 C ATOM 200 O LEU A 104 -0.413 5.467 -4.043 1.00 0.00 O ATOM 201 CB LEU A 104 2.870 5.481 -4.421 1.00 0.00 C ATOM 202 CG LEU A 104 4.161 5.358 -3.606 1.00 0.00 C ATOM 203 CD1 LEU A 104 4.909 4.083 -3.962 1.00 0.00 C ATOM 204 CD2 LEU A 104 5.049 6.572 -3.835 1.00 0.00 C ATOM 0 H LEU A 104 3.112 3.032 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 104 1.641 4.462 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.115 5.369 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.473 6.488 -4.291 1.00 0.00 H new ATOM 0 HG LEU A 104 3.893 5.312 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.822 4.019 -3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.278 3.220 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.164 4.095 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.963 6.470 -3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.302 6.643 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.519 7.474 -3.527 1.00 0.00 H new ATOM 216 N THR A 105 0.299 4.608 -5.994 1.00 0.00 N ATOM 217 CA THR A 105 -0.923 4.958 -6.710 1.00 0.00 C ATOM 218 C THR A 105 -1.918 3.802 -6.679 1.00 0.00 C ATOM 219 O THR A 105 -1.589 2.676 -7.050 1.00 0.00 O ATOM 220 CB THR A 105 -0.631 5.341 -8.173 1.00 0.00 C ATOM 221 OG1 THR A 105 -1.858 5.602 -8.866 1.00 0.00 O ATOM 222 CG2 THR A 105 0.134 4.236 -8.886 1.00 0.00 C ATOM 0 H THR A 105 1.002 4.135 -6.562 1.00 0.00 H new ATOM 0 HA THR A 105 -1.355 5.821 -6.204 1.00 0.00 H new ATOM 0 HB THR A 105 -0.015 6.240 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.663 5.846 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 105 0.326 4.533 -9.917 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.081 4.062 -8.376 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.457 3.320 -8.877 1.00 0.00 H new ATOM 230 N LEU A 106 -3.136 4.085 -6.225 1.00 0.00 N ATOM 231 CA LEU A 106 -4.171 3.060 -6.141 1.00 0.00 C ATOM 232 C LEU A 106 -5.553 3.638 -6.425 1.00 0.00 C ATOM 233 O LEU A 106 -5.927 4.677 -5.880 1.00 0.00 O ATOM 234 CB LEU A 106 -4.154 2.407 -4.756 1.00 0.00 C ATOM 235 CG LEU A 106 -5.168 1.277 -4.549 1.00 0.00 C ATOM 236 CD1 LEU A 106 -5.164 0.316 -5.730 1.00 0.00 C ATOM 237 CD2 LEU A 106 -4.872 0.536 -3.256 1.00 0.00 C ATOM 0 H LEU A 106 -3.429 5.010 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.957 2.307 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.154 2.014 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.337 3.178 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.162 1.718 -4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.893 -0.476 -5.557 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -5.425 0.857 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.172 -0.121 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.599 -0.264 -3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.869 0.111 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.935 1.229 -2.417 1.00 0.00 H new ATOM 249 N GLU A 107 -6.312 2.949 -7.271 1.00 0.00 N ATOM 250 CA GLU A 107 -7.658 3.385 -7.616 1.00 0.00 C ATOM 251 C GLU A 107 -8.601 3.181 -6.434 1.00 0.00 C ATOM 252 O GLU A 107 -8.586 2.129 -5.794 1.00 0.00 O ATOM 253 CB GLU A 107 -8.170 2.617 -8.838 1.00 0.00 C ATOM 254 CG GLU A 107 -9.575 3.015 -9.263 1.00 0.00 C ATOM 255 CD GLU A 107 -10.054 2.250 -10.480 1.00 0.00 C ATOM 256 OE1 GLU A 107 -10.120 1.005 -10.411 1.00 0.00 O ATOM 257 OE2 GLU A 107 -10.365 2.897 -11.502 1.00 0.00 O ATOM 0 H GLU A 107 -6.017 2.087 -7.729 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.626 4.447 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.487 2.781 -9.672 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -8.155 1.549 -8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.263 2.842 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.597 4.083 -9.478 1.00 0.00 H new ATOM 264 N ASN A 108 -9.413 4.193 -6.146 1.00 0.00 N ATOM 265 CA ASN A 108 -10.356 4.127 -5.035 1.00 0.00 C ATOM 266 C ASN A 108 -9.624 3.861 -3.724 1.00 0.00 C ATOM 267 O ASN A 108 -10.087 3.085 -2.887 1.00 0.00 O ATOM 268 CB ASN A 108 -11.397 3.030 -5.281 1.00 0.00 C ATOM 269 CG ASN A 108 -12.227 3.271 -6.531 1.00 0.00 C ATOM 270 OD1 ASN A 108 -11.968 4.378 -7.220 1.00 0.00 O flip ATOM 271 ND2 ASN A 108 -13.094 2.467 -6.874 1.00 0.00 N flip ATOM 0 H ASN A 108 -9.437 5.070 -6.667 1.00 0.00 H new ATOM 0 HA ASN A 108 -10.865 5.088 -4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -10.891 2.069 -5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -12.060 2.965 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -13.261 1.629 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -13.645 2.639 -7.715 1.00 0.00 H new ATOM 278 N GLY A 109 -8.476 4.509 -3.551 1.00 0.00 N ATOM 279 CA GLY A 109 -7.700 4.322 -2.339 1.00 0.00 C ATOM 280 C GLY A 109 -6.431 5.149 -2.317 1.00 0.00 C ATOM 281 O GLY A 109 -5.910 5.538 -3.361 1.00 0.00 O ATOM 0 H GLY A 109 -8.071 5.158 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.313 4.584 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.442 3.268 -2.238 1.00 0.00 H new ATOM 285 N LYS A 110 -5.936 5.404 -1.115 1.00 0.00 N ATOM 286 CA LYS A 110 -4.716 6.178 -0.926 1.00 0.00 C ATOM 287 C LYS A 110 -3.702 5.367 -0.129 1.00 0.00 C ATOM 288 O LYS A 110 -4.067 4.631 0.789 1.00 0.00 O ATOM 289 CB LYS A 110 -5.018 7.498 -0.210 1.00 0.00 C ATOM 290 CG LYS A 110 -5.597 7.322 1.185 1.00 0.00 C ATOM 291 CD LYS A 110 -5.879 8.663 1.844 1.00 0.00 C ATOM 292 CE LYS A 110 -6.429 8.489 3.251 1.00 0.00 C ATOM 293 NZ LYS A 110 -6.717 9.798 3.902 1.00 0.00 N ATOM 0 H LYS A 110 -6.365 5.083 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.296 6.408 -1.905 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.100 8.081 -0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.718 8.076 -0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.519 6.743 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.900 6.752 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.962 9.251 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.593 9.223 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.342 7.894 3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -5.712 7.933 3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -7.090 9.635 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.841 10.356 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -7.421 10.318 3.340 1.00 0.00 H new ATOM 307 N VAL A 111 -2.432 5.486 -0.494 1.00 0.00 N ATOM 308 CA VAL A 111 -1.378 4.742 0.181 1.00 0.00 C ATOM 309 C VAL A 111 -0.483 5.650 1.016 1.00 0.00 C ATOM 310 O VAL A 111 -0.165 6.772 0.621 1.00 0.00 O ATOM 311 CB VAL A 111 -0.511 3.969 -0.832 1.00 0.00 C ATOM 312 CG1 VAL A 111 0.633 3.250 -0.131 1.00 0.00 C ATOM 313 CG2 VAL A 111 -1.365 2.985 -1.616 1.00 0.00 C ATOM 0 H VAL A 111 -2.108 6.088 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.874 4.037 0.848 1.00 0.00 H new ATOM 0 HB VAL A 111 -0.079 4.686 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.230 2.712 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.260 3.979 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.229 2.544 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.739 2.446 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.826 2.276 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.143 3.527 -2.154 1.00 0.00 H new ATOM 323 N PHE A 112 -0.071 5.139 2.172 1.00 0.00 N ATOM 324 CA PHE A 112 0.801 5.871 3.080 1.00 0.00 C ATOM 325 C PHE A 112 2.222 5.332 2.975 1.00 0.00 C ATOM 326 O PHE A 112 2.422 4.127 2.851 1.00 0.00 O ATOM 327 CB PHE A 112 0.296 5.744 4.520 1.00 0.00 C ATOM 328 CG PHE A 112 -0.935 6.556 4.812 1.00 0.00 C ATOM 329 CD1 PHE A 112 -2.078 6.421 4.038 1.00 0.00 C ATOM 330 CD2 PHE A 112 -0.951 7.452 5.870 1.00 0.00 C ATOM 331 CE1 PHE A 112 -3.209 7.164 4.311 1.00 0.00 C ATOM 332 CE2 PHE A 112 -2.079 8.198 6.147 1.00 0.00 C ATOM 333 CZ PHE A 112 -3.211 8.054 5.368 1.00 0.00 C ATOM 0 H PHE A 112 -0.331 4.210 2.503 1.00 0.00 H new ATOM 0 HA PHE A 112 0.796 6.925 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 112 0.084 4.695 4.728 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.090 6.050 5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -2.083 5.726 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.071 7.568 6.485 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -4.091 7.050 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.077 8.894 6.973 1.00 0.00 H new ATOM 0 HZ PHE A 112 -4.095 8.635 5.585 1.00 0.00 H new ATOM 343 N LEU A 113 3.205 6.226 3.004 1.00 0.00 N ATOM 344 CA LEU A 113 4.598 5.816 2.890 1.00 0.00 C ATOM 345 C LEU A 113 5.498 6.596 3.844 1.00 0.00 C ATOM 346 O LEU A 113 6.460 7.240 3.425 1.00 0.00 O ATOM 347 CB LEU A 113 5.093 5.977 1.446 1.00 0.00 C ATOM 348 CG LEU A 113 5.015 7.393 0.864 1.00 0.00 C ATOM 349 CD1 LEU A 113 5.753 7.458 -0.464 1.00 0.00 C ATOM 350 CD2 LEU A 113 3.568 7.827 0.680 1.00 0.00 C ATOM 0 H LEU A 113 3.064 7.231 3.105 1.00 0.00 H new ATOM 0 HA LEU A 113 4.650 4.763 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 113 6.129 5.642 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.513 5.310 0.807 1.00 0.00 H new ATOM 0 HG LEU A 113 5.490 8.076 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.690 8.469 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.799 7.193 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 113 5.300 6.759 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.540 8.835 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.066 7.141 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.060 7.817 1.644 1.00 0.00 H new ATOM 362 N THR A 114 5.187 6.518 5.135 1.00 0.00 N ATOM 363 CA THR A 114 5.976 7.201 6.153 1.00 0.00 C ATOM 364 C THR A 114 7.446 6.811 6.047 1.00 0.00 C ATOM 365 O THR A 114 7.772 5.663 5.747 1.00 0.00 O ATOM 366 CB THR A 114 5.469 6.875 7.569 1.00 0.00 C ATOM 367 OG1 THR A 114 5.527 5.462 7.798 1.00 0.00 O ATOM 368 CG2 THR A 114 4.043 7.367 7.761 1.00 0.00 C ATOM 0 H THR A 114 4.395 5.989 5.500 1.00 0.00 H new ATOM 0 HA THR A 114 5.869 8.272 5.979 1.00 0.00 H new ATOM 0 HB THR A 114 6.112 7.385 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.656 4.997 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 114 3.707 7.125 8.769 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.008 8.447 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.390 6.882 7.035 1.00 0.00 H new ATOM 376 N GLY A 115 8.330 7.774 6.285 1.00 0.00 N ATOM 377 CA GLY A 115 9.754 7.510 6.199 1.00 0.00 C ATOM 378 C GLY A 115 10.285 7.679 4.788 1.00 0.00 C ATOM 379 O GLY A 115 9.645 7.262 3.823 1.00 0.00 O ATOM 0 H GLY A 115 8.086 8.732 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.288 8.184 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.955 6.495 6.542 1.00 0.00 H new ATOM 383 N GLY A 116 11.455 8.300 4.670 1.00 0.00 N ATOM 384 CA GLY A 116 12.052 8.524 3.365 1.00 0.00 C ATOM 385 C GLY A 116 13.359 9.289 3.452 1.00 0.00 C ATOM 386 O GLY A 116 13.546 10.105 4.354 1.00 0.00 O ATOM 0 H GLY A 116 12.001 8.653 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 116 12.227 7.564 2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 116 11.352 9.076 2.738 1.00 0.00 H new ATOM 390 N ASP A 117 14.264 9.026 2.512 1.00 0.00 N ATOM 391 CA ASP A 117 15.560 9.693 2.487 1.00 0.00 C ATOM 392 C ASP A 117 16.070 9.789 1.057 1.00 0.00 C ATOM 393 O ASP A 117 17.144 9.279 0.735 1.00 0.00 O ATOM 394 CB ASP A 117 16.571 8.936 3.354 1.00 0.00 C ATOM 395 CG ASP A 117 16.149 8.857 4.809 1.00 0.00 C ATOM 396 OD1 ASP A 117 15.995 9.923 5.442 1.00 0.00 O ATOM 397 OD2 ASP A 117 15.972 7.728 5.315 1.00 0.00 O ATOM 0 H ASP A 117 14.122 8.355 1.757 1.00 0.00 H new ATOM 0 HA ASP A 117 15.440 10.698 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 117 16.697 7.927 2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 117 17.541 9.428 3.287 1.00 0.00 H new ATOM 402 N LEU A 118 15.277 10.431 0.201 1.00 0.00 N ATOM 403 CA LEU A 118 15.625 10.587 -1.206 1.00 0.00 C ATOM 404 C LEU A 118 17.109 10.899 -1.375 1.00 0.00 C ATOM 405 O LEU A 118 17.667 11.714 -0.640 1.00 0.00 O ATOM 406 CB LEU A 118 14.783 11.693 -1.855 1.00 0.00 C ATOM 407 CG LEU A 118 15.083 13.120 -1.381 1.00 0.00 C ATOM 408 CD1 LEU A 118 14.280 14.125 -2.191 1.00 0.00 C ATOM 409 CD2 LEU A 118 14.782 13.273 0.102 1.00 0.00 C ATOM 0 H LEU A 118 14.385 10.853 0.461 1.00 0.00 H new ATOM 0 HA LEU A 118 15.411 9.641 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.929 11.650 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 118 13.730 11.481 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 118 16.144 13.315 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 118 14.503 15.134 -1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.545 14.037 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 118 13.216 13.925 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 118 15.003 14.294 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 118 13.729 13.057 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.398 12.578 0.672 1.00 0.00 H new ATOM 421 N PRO A 119 17.771 10.248 -2.346 1.00 0.00 N ATOM 422 CA PRO A 119 17.147 9.273 -3.239 1.00 0.00 C ATOM 423 C PRO A 119 17.183 7.844 -2.693 1.00 0.00 C ATOM 424 O PRO A 119 17.772 6.956 -3.310 1.00 0.00 O ATOM 425 CB PRO A 119 18.007 9.389 -4.492 1.00 0.00 C ATOM 426 CG PRO A 119 19.376 9.713 -3.983 1.00 0.00 C ATOM 427 CD PRO A 119 19.201 10.421 -2.657 1.00 0.00 C ATOM 0 HA PRO A 119 16.086 9.473 -3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.006 8.459 -5.061 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.636 10.170 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 119 19.966 8.805 -3.860 1.00 0.00 H new ATOM 0 HG3 PRO A 119 19.910 10.347 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 119 19.833 9.983 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 119 19.469 11.475 -2.729 1.00 0.00 H new ATOM 435 N ALA A 120 16.553 7.617 -1.537 1.00 0.00 N ATOM 436 CA ALA A 120 16.529 6.286 -0.941 1.00 0.00 C ATOM 437 C ALA A 120 15.479 6.190 0.159 1.00 0.00 C ATOM 438 O ALA A 120 15.415 7.039 1.047 1.00 0.00 O ATOM 439 CB ALA A 120 17.903 5.930 -0.391 1.00 0.00 C ATOM 0 H ALA A 120 16.059 8.332 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 120 16.263 5.573 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 120 17.871 4.934 0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 120 18.634 5.945 -1.200 1.00 0.00 H new ATOM 0 HB3 ALA A 120 18.189 6.656 0.370 1.00 0.00 H new ATOM 445 N LEU A 121 14.659 5.147 0.094 1.00 0.00 N ATOM 446 CA LEU A 121 13.610 4.936 1.085 1.00 0.00 C ATOM 447 C LEU A 121 13.898 3.699 1.931 1.00 0.00 C ATOM 448 O LEU A 121 13.030 2.848 2.124 1.00 0.00 O ATOM 449 CB LEU A 121 12.234 4.815 0.416 1.00 0.00 C ATOM 450 CG LEU A 121 12.112 3.744 -0.675 1.00 0.00 C ATOM 451 CD1 LEU A 121 10.651 3.518 -1.032 1.00 0.00 C ATOM 452 CD2 LEU A 121 12.898 4.147 -1.913 1.00 0.00 C ATOM 0 H LEU A 121 14.700 4.434 -0.635 1.00 0.00 H new ATOM 0 HA LEU A 121 13.597 5.807 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 121 11.493 4.606 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 121 11.977 5.781 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 121 12.528 2.813 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.580 2.755 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.107 3.188 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 121 10.218 4.449 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.798 3.374 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 121 12.510 5.089 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.950 4.267 -1.653 1.00 0.00 H new ATOM 464 N ASP A 122 15.126 3.608 2.435 1.00 0.00 N ATOM 465 CA ASP A 122 15.530 2.478 3.264 1.00 0.00 C ATOM 466 C ASP A 122 14.703 2.428 4.545 1.00 0.00 C ATOM 467 O ASP A 122 14.515 3.443 5.216 1.00 0.00 O ATOM 468 CB ASP A 122 17.020 2.577 3.605 1.00 0.00 C ATOM 469 CG ASP A 122 17.527 1.377 4.384 1.00 0.00 C ATOM 470 OD1 ASP A 122 16.733 0.443 4.626 1.00 0.00 O ATOM 471 OD2 ASP A 122 18.721 1.368 4.746 1.00 0.00 O ATOM 0 H ASP A 122 15.857 4.303 2.284 1.00 0.00 H new ATOM 0 HA ASP A 122 15.355 1.560 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.593 2.674 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 122 17.195 3.482 4.186 1.00 0.00 H new ATOM 476 N GLY A 123 14.210 1.239 4.877 1.00 0.00 N ATOM 477 CA GLY A 123 13.406 1.072 6.074 1.00 0.00 C ATOM 478 C GLY A 123 12.143 1.908 6.045 1.00 0.00 C ATOM 479 O GLY A 123 11.676 2.377 7.084 1.00 0.00 O ATOM 0 H GLY A 123 14.354 0.386 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.140 0.021 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 123 13.999 1.345 6.947 1.00 0.00 H new ATOM 483 N ALA A 124 11.585 2.089 4.853 1.00 0.00 N ATOM 484 CA ALA A 124 10.364 2.867 4.689 1.00 0.00 C ATOM 485 C ALA A 124 9.140 2.054 5.097 1.00 0.00 C ATOM 486 O ALA A 124 9.007 0.889 4.724 1.00 0.00 O ATOM 487 CB ALA A 124 10.226 3.338 3.249 1.00 0.00 C ATOM 0 H ALA A 124 11.960 1.706 3.985 1.00 0.00 H new ATOM 0 HA ALA A 124 10.428 3.738 5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.309 3.918 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 124 11.082 3.960 2.986 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.188 2.474 2.586 1.00 0.00 H new ATOM 493 N ARG A 125 8.244 2.677 5.855 1.00 0.00 N ATOM 494 CA ARG A 125 7.027 2.009 6.300 1.00 0.00 C ATOM 495 C ARG A 125 5.830 2.509 5.512 1.00 0.00 C ATOM 496 O ARG A 125 5.694 3.705 5.256 1.00 0.00 O ATOM 497 CB ARG A 125 6.804 2.234 7.798 1.00 0.00 C ATOM 498 CG ARG A 125 7.868 1.592 8.675 1.00 0.00 C ATOM 499 CD ARG A 125 7.604 1.852 10.148 1.00 0.00 C ATOM 500 NE ARG A 125 7.672 3.274 10.475 1.00 0.00 N ATOM 501 CZ ARG A 125 7.433 3.764 11.687 1.00 0.00 C ATOM 502 NH1 ARG A 125 7.090 2.953 12.680 1.00 0.00 N ATOM 503 NH2 ARG A 125 7.533 5.068 11.908 1.00 0.00 N ATOM 0 H ARG A 125 8.337 3.642 6.173 1.00 0.00 H new ATOM 0 HA ARG A 125 7.141 0.939 6.124 1.00 0.00 H new ATOM 0 HB2 ARG A 125 6.780 3.306 7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 125 5.828 1.836 8.075 1.00 0.00 H new ATOM 0 HG2 ARG A 125 7.892 0.518 8.492 1.00 0.00 H new ATOM 0 HG3 ARG A 125 8.849 1.983 8.405 1.00 0.00 H new ATOM 0 HD2 ARG A 125 6.620 1.466 10.413 1.00 0.00 H new ATOM 0 HD3 ARG A 125 8.333 1.307 10.748 1.00 0.00 H new ATOM 0 HE ARG A 125 7.917 3.928 9.731 1.00 0.00 H new ATOM 0 HH11 ARG A 125 7.009 1.950 12.514 1.00 0.00 H new ATOM 0 HH12 ARG A 125 6.907 3.333 13.609 1.00 0.00 H new ATOM 0 HH21 ARG A 125 7.794 5.696 11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 125 7.349 5.443 12.839 1.00 0.00 H new ATOM 517 N VAL A 126 4.980 1.578 5.103 1.00 0.00 N ATOM 518 CA VAL A 126 3.814 1.909 4.317 1.00 0.00 C ATOM 519 C VAL A 126 2.551 1.246 4.862 1.00 0.00 C ATOM 520 O VAL A 126 2.555 0.068 5.219 1.00 0.00 O ATOM 521 CB VAL A 126 4.031 1.484 2.854 1.00 0.00 C ATOM 522 CG1 VAL A 126 2.710 1.212 2.171 1.00 0.00 C ATOM 523 CG2 VAL A 126 4.841 2.530 2.105 1.00 0.00 C ATOM 0 H VAL A 126 5.082 0.584 5.307 1.00 0.00 H new ATOM 0 HA VAL A 126 3.675 2.989 4.374 1.00 0.00 H new ATOM 0 HB VAL A 126 4.602 0.555 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 126 2.889 0.913 1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.188 0.412 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 126 2.099 2.115 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.983 2.210 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.309 3.481 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 126 5.813 2.650 2.584 1.00 0.00 H new ATOM 533 N GLU A 127 1.468 2.016 4.901 1.00 0.00 N ATOM 534 CA GLU A 127 0.182 1.521 5.376 1.00 0.00 C ATOM 535 C GLU A 127 -0.921 1.918 4.399 1.00 0.00 C ATOM 536 O GLU A 127 -1.165 3.102 4.167 1.00 0.00 O ATOM 537 CB GLU A 127 -0.118 2.061 6.778 1.00 0.00 C ATOM 538 CG GLU A 127 0.028 3.566 6.907 1.00 0.00 C ATOM 539 CD GLU A 127 -0.269 4.061 8.308 1.00 0.00 C ATOM 540 OE1 GLU A 127 0.425 3.627 9.251 1.00 0.00 O ATOM 541 OE2 GLU A 127 -1.197 4.882 8.463 1.00 0.00 O ATOM 0 H GLU A 127 1.457 2.993 4.607 1.00 0.00 H new ATOM 0 HA GLU A 127 0.223 0.433 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.135 1.780 7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.550 1.579 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.042 3.854 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.645 4.055 6.202 1.00 0.00 H new ATOM 548 N PHE A 128 -1.566 0.917 3.809 1.00 0.00 N ATOM 549 CA PHE A 128 -2.622 1.154 2.831 1.00 0.00 C ATOM 550 C PHE A 128 -3.937 1.558 3.489 1.00 0.00 C ATOM 551 O PHE A 128 -4.263 1.110 4.589 1.00 0.00 O ATOM 552 CB PHE A 128 -2.842 -0.089 1.965 1.00 0.00 C ATOM 553 CG PHE A 128 -1.646 -0.483 1.142 1.00 0.00 C ATOM 554 CD1 PHE A 128 -0.453 -0.844 1.750 1.00 0.00 C ATOM 555 CD2 PHE A 128 -1.717 -0.491 -0.241 1.00 0.00 C ATOM 556 CE1 PHE A 128 0.644 -1.206 0.993 1.00 0.00 C ATOM 557 CE2 PHE A 128 -0.622 -0.852 -1.003 1.00 0.00 C ATOM 558 CZ PHE A 128 0.560 -1.210 -0.385 1.00 0.00 C ATOM 0 H PHE A 128 -1.375 -0.068 3.992 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.292 1.983 2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -3.117 -0.924 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.685 0.090 1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -0.381 -0.842 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.639 -0.212 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.567 -1.486 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.691 -0.854 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.417 -1.493 -0.979 1.00 0.00 H new ATOM 568 N ARG A 129 -4.693 2.398 2.787 1.00 0.00 N ATOM 569 CA ARG A 129 -5.990 2.869 3.262 1.00 0.00 C ATOM 570 C ARG A 129 -6.934 3.054 2.078 1.00 0.00 C ATOM 571 O ARG A 129 -6.670 3.860 1.188 1.00 0.00 O ATOM 572 CB ARG A 129 -5.841 4.195 4.013 1.00 0.00 C ATOM 573 CG ARG A 129 -4.976 4.111 5.260 1.00 0.00 C ATOM 574 CD ARG A 129 -5.604 3.219 6.320 1.00 0.00 C ATOM 575 NE ARG A 129 -4.818 3.199 7.550 1.00 0.00 N ATOM 576 CZ ARG A 129 -5.146 2.490 8.626 1.00 0.00 C ATOM 577 NH1 ARG A 129 -6.238 1.737 8.619 1.00 0.00 N ATOM 578 NH2 ARG A 129 -4.383 2.533 9.708 1.00 0.00 N ATOM 0 H ARG A 129 -4.425 2.770 1.876 1.00 0.00 H new ATOM 0 HA ARG A 129 -6.401 2.126 3.945 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.414 4.936 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.831 4.553 4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -3.992 3.724 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -4.826 5.111 5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.612 3.570 6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -5.697 2.205 5.932 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.968 3.762 7.586 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.827 1.701 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -6.488 1.194 9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.542 3.111 9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -4.636 1.988 10.533 1.00 0.00 H new ATOM 592 N CYS A 130 -8.026 2.297 2.063 1.00 0.00 N ATOM 593 CA CYS A 130 -8.991 2.382 0.972 1.00 0.00 C ATOM 594 C CYS A 130 -10.055 3.437 1.256 1.00 0.00 C ATOM 595 O CYS A 130 -10.422 3.670 2.408 1.00 0.00 O ATOM 596 CB CYS A 130 -9.649 1.023 0.726 1.00 0.00 C ATOM 597 SG CYS A 130 -10.589 0.937 -0.832 1.00 0.00 S ATOM 0 H CYS A 130 -8.264 1.621 2.789 1.00 0.00 H new ATOM 0 HA CYS A 130 -8.449 2.678 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -8.878 0.252 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -10.318 0.797 1.557 1.00 0.00 H new ATOM 602 N ASP A 131 -10.542 4.074 0.194 1.00 0.00 N ATOM 603 CA ASP A 131 -11.563 5.111 0.313 1.00 0.00 C ATOM 604 C ASP A 131 -12.767 4.616 1.115 1.00 0.00 C ATOM 605 O ASP A 131 -13.057 3.419 1.141 1.00 0.00 O ATOM 606 CB ASP A 131 -12.016 5.570 -1.076 1.00 0.00 C ATOM 607 CG ASP A 131 -10.895 6.212 -1.871 1.00 0.00 C ATOM 608 OD1 ASP A 131 -9.774 6.328 -1.332 1.00 0.00 O ATOM 609 OD2 ASP A 131 -11.139 6.601 -3.032 1.00 0.00 O ATOM 0 H ASP A 131 -10.244 3.889 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 131 -11.122 5.954 0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -12.405 4.715 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -12.835 6.281 -0.971 1.00 0.00 H new ATOM 614 N PRO A 132 -13.481 5.542 1.787 1.00 0.00 N ATOM 615 CA PRO A 132 -14.657 5.219 2.601 1.00 0.00 C ATOM 616 C PRO A 132 -15.603 4.242 1.909 1.00 0.00 C ATOM 617 O PRO A 132 -15.579 4.101 0.686 1.00 0.00 O ATOM 618 CB PRO A 132 -15.349 6.578 2.808 1.00 0.00 C ATOM 619 CG PRO A 132 -14.566 7.571 2.007 1.00 0.00 C ATOM 620 CD PRO A 132 -13.202 6.980 1.812 1.00 0.00 C ATOM 0 HA PRO A 132 -14.372 4.726 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -16.387 6.541 2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -15.362 6.852 3.863 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -15.047 7.761 1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -14.504 8.527 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -12.741 7.320 0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -12.524 7.248 2.622 1.00 0.00 H new ATOM 628 N ASP A 133 -16.426 3.563 2.713 1.00 0.00 N ATOM 629 CA ASP A 133 -17.389 2.581 2.211 1.00 0.00 C ATOM 630 C ASP A 133 -16.699 1.261 1.877 1.00 0.00 C ATOM 631 O ASP A 133 -17.292 0.191 2.014 1.00 0.00 O ATOM 632 CB ASP A 133 -18.134 3.114 0.983 1.00 0.00 C ATOM 633 CG ASP A 133 -19.205 2.156 0.497 1.00 0.00 C ATOM 634 OD1 ASP A 133 -20.125 1.848 1.283 1.00 0.00 O ATOM 635 OD2 ASP A 133 -19.124 1.716 -0.668 1.00 0.00 O ATOM 0 H ASP A 133 -16.443 3.678 3.726 1.00 0.00 H new ATOM 0 HA ASP A 133 -18.117 2.401 3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -18.591 4.073 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -17.421 3.296 0.179 1.00 0.00 H new ATOM 640 N PHE A 134 -15.443 1.337 1.446 1.00 0.00 N ATOM 641 CA PHE A 134 -14.682 0.142 1.104 1.00 0.00 C ATOM 642 C PHE A 134 -13.596 -0.116 2.144 1.00 0.00 C ATOM 643 O PHE A 134 -12.796 0.769 2.450 1.00 0.00 O ATOM 644 CB PHE A 134 -14.038 0.282 -0.280 1.00 0.00 C ATOM 645 CG PHE A 134 -15.016 0.538 -1.394 1.00 0.00 C ATOM 646 CD1 PHE A 134 -15.788 1.690 -1.411 1.00 0.00 C ATOM 647 CD2 PHE A 134 -15.160 -0.375 -2.427 1.00 0.00 C ATOM 648 CE1 PHE A 134 -16.683 1.926 -2.437 1.00 0.00 C ATOM 649 CE2 PHE A 134 -16.054 -0.144 -3.455 1.00 0.00 C ATOM 650 CZ PHE A 134 -16.816 1.008 -3.460 1.00 0.00 C ATOM 0 H PHE A 134 -14.933 2.212 1.326 1.00 0.00 H new ATOM 0 HA PHE A 134 -15.374 -0.700 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 134 -13.316 1.098 -0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 134 -13.481 -0.628 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -15.689 2.411 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 134 -14.567 -1.277 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -17.278 2.827 -2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 134 -16.157 -0.864 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 134 -17.515 1.191 -4.263 1.00 0.00 H new ATOM 660 N HIS A 135 -13.572 -1.330 2.685 1.00 0.00 N ATOM 661 CA HIS A 135 -12.579 -1.695 3.689 1.00 0.00 C ATOM 662 C HIS A 135 -11.504 -2.595 3.089 1.00 0.00 C ATOM 663 O HIS A 135 -11.805 -3.534 2.350 1.00 0.00 O ATOM 664 CB HIS A 135 -13.250 -2.393 4.876 1.00 0.00 C ATOM 665 CG HIS A 135 -13.977 -3.649 4.508 1.00 0.00 C ATOM 666 ND1 HIS A 135 -15.018 -3.680 3.605 1.00 0.00 N ATOM 667 CD2 HIS A 135 -13.811 -4.924 4.932 1.00 0.00 C ATOM 668 CE1 HIS A 135 -15.461 -4.920 3.489 1.00 0.00 C ATOM 669 NE2 HIS A 135 -14.745 -5.693 4.284 1.00 0.00 N ATOM 0 H HIS A 135 -14.226 -2.075 2.446 1.00 0.00 H new ATOM 0 HA HIS A 135 -12.103 -0.780 4.042 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -12.492 -2.629 5.622 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -13.952 -1.702 5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -13.080 -5.271 5.647 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -16.271 -5.245 2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -14.866 -6.699 4.398 1.00 0.00 H new ATOM 678 N LEU A 136 -10.248 -2.300 3.410 1.00 0.00 N ATOM 679 CA LEU A 136 -9.127 -3.083 2.904 1.00 0.00 C ATOM 680 C LEU A 136 -9.088 -4.454 3.574 1.00 0.00 C ATOM 681 O LEU A 136 -9.225 -4.560 4.793 1.00 0.00 O ATOM 682 CB LEU A 136 -7.811 -2.341 3.142 1.00 0.00 C ATOM 683 CG LEU A 136 -6.599 -2.932 2.423 1.00 0.00 C ATOM 684 CD1 LEU A 136 -6.825 -2.933 0.919 1.00 0.00 C ATOM 685 CD2 LEU A 136 -5.343 -2.149 2.770 1.00 0.00 C ATOM 0 H LEU A 136 -9.982 -1.525 4.018 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.260 -3.224 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.933 -1.305 2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.608 -2.326 4.213 1.00 0.00 H new ATOM 0 HG LEU A 136 -6.467 -3.962 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.953 -3.357 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.705 -3.532 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.979 -1.911 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -4.489 -2.582 2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -5.466 -1.110 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -5.173 -2.192 3.846 1.00 0.00 H new ATOM 697 N VAL A 137 -8.916 -5.501 2.773 1.00 0.00 N ATOM 698 CA VAL A 137 -8.878 -6.862 3.297 1.00 0.00 C ATOM 699 C VAL A 137 -7.698 -7.649 2.729 1.00 0.00 C ATOM 700 O VAL A 137 -7.884 -8.664 2.059 1.00 0.00 O ATOM 701 CB VAL A 137 -10.184 -7.615 2.977 1.00 0.00 C ATOM 702 CG1 VAL A 137 -10.211 -8.971 3.668 1.00 0.00 C ATOM 703 CG2 VAL A 137 -11.393 -6.783 3.376 1.00 0.00 C ATOM 0 H VAL A 137 -8.801 -5.434 1.762 1.00 0.00 H new ATOM 0 HA VAL A 137 -8.762 -6.780 4.378 1.00 0.00 H new ATOM 0 HB VAL A 137 -10.224 -7.784 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -11.142 -9.484 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.368 -9.571 3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -10.142 -8.831 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -12.305 -7.332 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -11.357 -6.578 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -11.385 -5.842 2.826 1.00 0.00 H new ATOM 713 N GLY A 138 -6.482 -7.183 2.994 1.00 0.00 N ATOM 714 CA GLY A 138 -5.315 -7.878 2.487 1.00 0.00 C ATOM 715 C GLY A 138 -4.021 -7.390 3.100 1.00 0.00 C ATOM 716 O GLY A 138 -3.932 -7.200 4.312 1.00 0.00 O ATOM 0 H GLY A 138 -6.285 -6.347 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -5.422 -8.945 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -5.267 -7.754 1.405 1.00 0.00 H new ATOM 720 N SER A 139 -3.016 -7.197 2.253 1.00 0.00 N ATOM 721 CA SER A 139 -1.711 -6.736 2.690 1.00 0.00 C ATOM 722 C SER A 139 -1.744 -5.252 3.042 1.00 0.00 C ATOM 723 O SER A 139 -1.056 -4.441 2.421 1.00 0.00 O ATOM 724 CB SER A 139 -0.690 -6.983 1.587 1.00 0.00 C ATOM 725 OG SER A 139 -1.008 -6.231 0.432 1.00 0.00 O ATOM 0 H SER A 139 -3.086 -7.356 1.248 1.00 0.00 H new ATOM 0 HA SER A 139 -1.429 -7.291 3.585 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.306 -6.713 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.664 -8.044 1.340 1.00 0.00 H new ATOM 0 HG SER A 139 -0.364 -6.434 -0.278 1.00 0.00 H new ATOM 731 N SER A 140 -2.550 -4.903 4.037 1.00 0.00 N ATOM 732 CA SER A 140 -2.682 -3.525 4.470 1.00 0.00 C ATOM 733 C SER A 140 -1.360 -2.982 5.016 1.00 0.00 C ATOM 734 O SER A 140 -1.297 -1.851 5.500 1.00 0.00 O ATOM 735 CB SER A 140 -3.773 -3.436 5.534 1.00 0.00 C ATOM 736 OG SER A 140 -3.404 -4.143 6.705 1.00 0.00 O ATOM 0 H SER A 140 -3.124 -5.564 4.560 1.00 0.00 H new ATOM 0 HA SER A 140 -2.956 -2.914 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.960 -2.391 5.781 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.704 -3.842 5.139 1.00 0.00 H new ATOM 0 HG SER A 140 -4.119 -4.069 7.371 1.00 0.00 H new ATOM 742 N ARG A 141 -0.306 -3.792 4.928 1.00 0.00 N ATOM 743 CA ARG A 141 1.013 -3.394 5.407 1.00 0.00 C ATOM 744 C ARG A 141 2.108 -3.879 4.458 1.00 0.00 C ATOM 745 O ARG A 141 2.105 -5.030 4.024 1.00 0.00 O ATOM 746 CB ARG A 141 1.256 -3.947 6.814 1.00 0.00 C ATOM 747 CG ARG A 141 1.106 -5.457 6.909 1.00 0.00 C ATOM 748 CD ARG A 141 1.356 -5.954 8.324 1.00 0.00 C ATOM 749 NE ARG A 141 2.716 -5.667 8.773 1.00 0.00 N ATOM 750 CZ ARG A 141 3.179 -5.993 9.976 1.00 0.00 C ATOM 751 NH1 ARG A 141 2.392 -6.606 10.850 1.00 0.00 N ATOM 752 NH2 ARG A 141 4.430 -5.702 10.307 1.00 0.00 N ATOM 0 H ARG A 141 -0.342 -4.730 4.528 1.00 0.00 H new ATOM 0 HA ARG A 141 1.046 -2.305 5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 141 2.259 -3.669 7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 141 0.557 -3.477 7.506 1.00 0.00 H new ATOM 0 HG2 ARG A 141 0.103 -5.745 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.806 -5.937 6.225 1.00 0.00 H new ATOM 0 HD2 ARG A 141 0.644 -5.486 9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 141 1.179 -7.029 8.367 1.00 0.00 H new ATOM 0 HE ARG A 141 3.346 -5.190 8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 141 1.428 -6.829 10.600 1.00 0.00 H new ATOM 0 HH12 ARG A 141 2.750 -6.855 11.772 1.00 0.00 H new ATOM 0 HH21 ARG A 141 5.037 -5.228 9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 141 4.785 -5.952 11.230 1.00 0.00 H new ATOM 766 N SER A 142 3.039 -2.985 4.141 1.00 0.00 N ATOM 767 CA SER A 142 4.149 -3.295 3.240 1.00 0.00 C ATOM 768 C SER A 142 5.365 -2.447 3.604 1.00 0.00 C ATOM 769 O SER A 142 5.228 -1.273 3.951 1.00 0.00 O ATOM 770 CB SER A 142 3.743 -3.025 1.791 1.00 0.00 C ATOM 771 OG SER A 142 2.635 -3.823 1.413 1.00 0.00 O ATOM 0 H SER A 142 3.048 -2.030 4.498 1.00 0.00 H new ATOM 0 HA SER A 142 4.403 -4.350 3.344 1.00 0.00 H new ATOM 0 HB2 SER A 142 3.493 -1.971 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.585 -3.231 1.130 1.00 0.00 H new ATOM 0 HG SER A 142 2.713 -4.708 1.827 1.00 0.00 H new ATOM 777 N VAL A 143 6.553 -3.042 3.537 1.00 0.00 N ATOM 778 CA VAL A 143 7.775 -2.320 3.874 1.00 0.00 C ATOM 779 C VAL A 143 8.809 -2.411 2.755 1.00 0.00 C ATOM 780 O VAL A 143 9.096 -3.494 2.243 1.00 0.00 O ATOM 781 CB VAL A 143 8.401 -2.850 5.181 1.00 0.00 C ATOM 782 CG1 VAL A 143 8.824 -4.305 5.026 1.00 0.00 C ATOM 783 CG2 VAL A 143 9.585 -1.990 5.595 1.00 0.00 C ATOM 0 H VAL A 143 6.695 -4.012 3.255 1.00 0.00 H new ATOM 0 HA VAL A 143 7.490 -1.277 4.010 1.00 0.00 H new ATOM 0 HB VAL A 143 7.646 -2.796 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 143 9.263 -4.658 5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 143 7.953 -4.913 4.782 1.00 0.00 H new ATOM 0 HG13 VAL A 143 9.560 -4.387 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 143 10.013 -2.380 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 143 10.340 -2.008 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 143 9.252 -0.964 5.754 1.00 0.00 H new ATOM 793 N CYS A 144 9.372 -1.265 2.391 1.00 0.00 N ATOM 794 CA CYS A 144 10.387 -1.207 1.347 1.00 0.00 C ATOM 795 C CYS A 144 11.746 -1.607 1.909 1.00 0.00 C ATOM 796 O CYS A 144 12.033 -1.371 3.083 1.00 0.00 O ATOM 797 CB CYS A 144 10.460 0.196 0.743 1.00 0.00 C ATOM 798 SG CYS A 144 11.678 0.359 -0.603 1.00 0.00 S ATOM 0 H CYS A 144 9.142 -0.362 2.805 1.00 0.00 H new ATOM 0 HA CYS A 144 10.110 -1.908 0.560 1.00 0.00 H new ATOM 0 HB2 CYS A 144 9.475 0.469 0.364 1.00 0.00 H new ATOM 0 HB3 CYS A 144 10.707 0.908 1.531 1.00 0.00 H new ATOM 803 N SER A 145 12.578 -2.218 1.074 1.00 0.00 N ATOM 804 CA SER A 145 13.902 -2.651 1.507 1.00 0.00 C ATOM 805 C SER A 145 14.889 -2.640 0.340 1.00 0.00 C ATOM 806 O SER A 145 14.901 -1.702 -0.458 1.00 0.00 O ATOM 807 CB SER A 145 13.814 -4.051 2.124 1.00 0.00 C ATOM 808 OG SER A 145 13.365 -5.000 1.173 1.00 0.00 O ATOM 0 H SER A 145 12.362 -2.424 0.099 1.00 0.00 H new ATOM 0 HA SER A 145 14.268 -1.953 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 145 14.792 -4.347 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 145 13.133 -4.035 2.975 1.00 0.00 H new ATOM 0 HG SER A 145 13.319 -5.885 1.591 1.00 0.00 H new ATOM 814 N GLN A 146 15.716 -3.679 0.244 1.00 0.00 N ATOM 815 CA GLN A 146 16.702 -3.776 -0.828 1.00 0.00 C ATOM 816 C GLN A 146 16.023 -3.676 -2.191 1.00 0.00 C ATOM 817 O GLN A 146 16.550 -3.059 -3.117 1.00 0.00 O ATOM 818 CB GLN A 146 17.478 -5.093 -0.732 1.00 0.00 C ATOM 819 CG GLN A 146 18.259 -5.257 0.564 1.00 0.00 C ATOM 820 CD GLN A 146 17.364 -5.409 1.778 1.00 0.00 C ATOM 821 OE1 GLN A 146 16.567 -6.344 1.863 1.00 0.00 O ATOM 822 NE2 GLN A 146 17.490 -4.487 2.726 1.00 0.00 N ATOM 0 H GLN A 146 15.722 -4.464 0.895 1.00 0.00 H new ATOM 0 HA GLN A 146 17.401 -2.947 -0.719 1.00 0.00 H new ATOM 0 HB2 GLN A 146 16.779 -5.923 -0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 146 18.170 -5.158 -1.572 1.00 0.00 H new ATOM 0 HG2 GLN A 146 18.906 -6.131 0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 146 18.908 -4.392 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 146 18.164 -3.729 2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 146 16.913 -4.537 3.566 1.00 0.00 H new ATOM 831 N GLY A 147 14.852 -4.290 -2.297 1.00 0.00 N ATOM 832 CA GLY A 147 14.104 -4.270 -3.537 1.00 0.00 C ATOM 833 C GLY A 147 12.803 -5.037 -3.419 1.00 0.00 C ATOM 834 O GLY A 147 12.733 -6.037 -2.703 1.00 0.00 O ATOM 0 H GLY A 147 14.405 -4.805 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 147 13.894 -3.238 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 147 14.710 -4.701 -4.334 1.00 0.00 H new ATOM 838 N GLN A 148 11.767 -4.562 -4.109 1.00 0.00 N ATOM 839 CA GLN A 148 10.456 -5.203 -4.068 1.00 0.00 C ATOM 840 C GLN A 148 9.808 -5.015 -2.699 1.00 0.00 C ATOM 841 O GLN A 148 10.494 -4.942 -1.679 1.00 0.00 O ATOM 842 CB GLN A 148 10.567 -6.695 -4.399 1.00 0.00 C ATOM 843 CG GLN A 148 9.236 -7.430 -4.367 1.00 0.00 C ATOM 844 CD GLN A 148 8.233 -6.862 -5.353 1.00 0.00 C ATOM 845 OE1 GLN A 148 7.104 -6.388 -4.841 1.00 0.00 O flip ATOM 846 NE2 GLN A 148 8.471 -6.848 -6.560 1.00 0.00 N flip ATOM 0 H GLN A 148 11.812 -3.734 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 148 9.827 -4.729 -4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 148 11.010 -6.806 -5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 148 11.249 -7.165 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 148 9.402 -8.484 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 148 8.820 -7.378 -3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 148 9.352 -7.223 -6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 148 7.787 -6.461 -7.210 1.00 0.00 H new ATOM 855 N TRP A 149 8.483 -4.923 -2.686 1.00 0.00 N ATOM 856 CA TRP A 149 7.740 -4.727 -1.446 1.00 0.00 C ATOM 857 C TRP A 149 7.487 -6.054 -0.738 1.00 0.00 C ATOM 858 O TRP A 149 7.329 -7.093 -1.380 1.00 0.00 O ATOM 859 CB TRP A 149 6.410 -4.027 -1.728 1.00 0.00 C ATOM 860 CG TRP A 149 6.571 -2.655 -2.308 1.00 0.00 C ATOM 861 CD1 TRP A 149 7.155 -2.327 -3.498 1.00 0.00 C ATOM 862 CD2 TRP A 149 6.153 -1.426 -1.712 1.00 0.00 C ATOM 863 NE1 TRP A 149 7.118 -0.965 -3.680 1.00 0.00 N ATOM 864 CE2 TRP A 149 6.509 -0.389 -2.596 1.00 0.00 C ATOM 865 CE3 TRP A 149 5.510 -1.100 -0.517 1.00 0.00 C ATOM 866 CZ2 TRP A 149 6.241 0.950 -2.319 1.00 0.00 C ATOM 867 CZ3 TRP A 149 5.247 0.227 -0.243 1.00 0.00 C ATOM 868 CH2 TRP A 149 5.611 1.238 -1.140 1.00 0.00 C ATOM 0 H TRP A 149 7.900 -4.981 -3.521 1.00 0.00 H new ATOM 0 HA TRP A 149 8.344 -4.099 -0.791 1.00 0.00 H new ATOM 0 HB2 TRP A 149 5.825 -4.638 -2.416 1.00 0.00 H new ATOM 0 HB3 TRP A 149 5.841 -3.957 -0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 149 7.583 -3.034 -4.194 1.00 0.00 H new ATOM 0 HE1 TRP A 149 7.484 -0.465 -4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 149 5.223 -1.873 0.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 6.521 1.732 -3.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 4.752 0.490 0.680 1.00 0.00 H new ATOM 0 HH2 TRP A 149 5.390 2.267 -0.896 1.00 0.00 H new ATOM 879 N SER A 150 7.457 -6.007 0.592 1.00 0.00 N ATOM 880 CA SER A 150 7.231 -7.200 1.399 1.00 0.00 C ATOM 881 C SER A 150 5.982 -7.945 0.940 1.00 0.00 C ATOM 882 O SER A 150 6.040 -9.135 0.630 1.00 0.00 O ATOM 883 CB SER A 150 7.102 -6.825 2.876 1.00 0.00 C ATOM 884 OG SER A 150 6.881 -7.971 3.679 1.00 0.00 O ATOM 0 H SER A 150 7.587 -5.152 1.133 1.00 0.00 H new ATOM 0 HA SER A 150 8.089 -7.860 1.271 1.00 0.00 H new ATOM 0 HB2 SER A 150 8.008 -6.317 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 150 6.278 -6.123 3.005 1.00 0.00 H new ATOM 0 HG SER A 150 6.804 -7.702 4.618 1.00 0.00 H new ATOM 890 N THR A 151 4.852 -7.244 0.898 1.00 0.00 N ATOM 891 CA THR A 151 3.599 -7.864 0.473 1.00 0.00 C ATOM 892 C THR A 151 2.973 -7.120 -0.707 1.00 0.00 C ATOM 893 O THR A 151 2.892 -5.891 -0.705 1.00 0.00 O ATOM 894 CB THR A 151 2.583 -7.916 1.626 1.00 0.00 C ATOM 895 OG1 THR A 151 2.297 -6.591 2.083 1.00 0.00 O ATOM 896 CG2 THR A 151 3.115 -8.753 2.779 1.00 0.00 C ATOM 0 H THR A 151 4.777 -6.258 1.150 1.00 0.00 H new ATOM 0 HA THR A 151 3.845 -8.879 0.162 1.00 0.00 H new ATOM 0 HB THR A 151 1.668 -8.379 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 151 2.388 -6.555 3.058 1.00 0.00 H new ATOM 0 HG21 THR A 151 2.379 -8.775 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 151 3.305 -9.769 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 151 4.042 -8.316 3.148 1.00 0.00 H new ATOM 904 N PRO A 152 2.511 -7.863 -1.733 1.00 0.00 N ATOM 905 CA PRO A 152 1.879 -7.274 -2.922 1.00 0.00 C ATOM 906 C PRO A 152 0.608 -6.510 -2.570 1.00 0.00 C ATOM 907 O PRO A 152 -0.137 -6.923 -1.684 1.00 0.00 O ATOM 908 CB PRO A 152 1.545 -8.486 -3.803 1.00 0.00 C ATOM 909 CG PRO A 152 2.394 -9.595 -3.280 1.00 0.00 C ATOM 910 CD PRO A 152 2.559 -9.332 -1.812 1.00 0.00 C ATOM 0 HA PRO A 152 2.531 -6.551 -3.411 1.00 0.00 H new ATOM 0 HB2 PRO A 152 0.486 -8.738 -3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.764 -8.283 -4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 152 1.922 -10.562 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.360 -9.617 -3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 152 1.764 -9.794 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.503 -9.726 -1.435 1.00 0.00 H new ATOM 918 N LYS A 153 0.369 -5.395 -3.260 1.00 0.00 N ATOM 919 CA LYS A 153 -0.810 -4.568 -3.005 1.00 0.00 C ATOM 920 C LYS A 153 -2.064 -5.422 -2.801 1.00 0.00 C ATOM 921 O LYS A 153 -2.329 -6.347 -3.569 1.00 0.00 O ATOM 922 CB LYS A 153 -1.042 -3.591 -4.160 1.00 0.00 C ATOM 923 CG LYS A 153 -2.244 -2.685 -3.941 1.00 0.00 C ATOM 924 CD LYS A 153 -2.556 -1.843 -5.165 1.00 0.00 C ATOM 925 CE LYS A 153 -1.567 -0.703 -5.327 1.00 0.00 C ATOM 926 NZ LYS A 153 -1.542 0.179 -4.128 1.00 0.00 N ATOM 0 H LYS A 153 0.977 -5.044 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 153 -0.620 -4.009 -2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -0.151 -2.977 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -1.182 -4.155 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -3.113 -3.292 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.054 -2.031 -3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.535 -2.472 -6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -3.566 -1.440 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -0.570 -1.108 -5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -1.831 -0.115 -6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -1.217 1.128 -4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -2.498 0.244 -3.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -0.893 -0.218 -3.419 1.00 0.00 H new ATOM 940 N PRO A 154 -2.853 -5.116 -1.751 1.00 0.00 N ATOM 941 CA PRO A 154 -4.083 -5.853 -1.437 1.00 0.00 C ATOM 942 C PRO A 154 -5.235 -5.506 -2.380 1.00 0.00 C ATOM 943 O PRO A 154 -5.026 -5.279 -3.571 1.00 0.00 O ATOM 944 CB PRO A 154 -4.398 -5.403 -0.011 1.00 0.00 C ATOM 945 CG PRO A 154 -3.829 -4.030 0.083 1.00 0.00 C ATOM 946 CD PRO A 154 -2.602 -4.026 -0.787 1.00 0.00 C ATOM 0 HA PRO A 154 -3.955 -6.930 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -5.472 -5.401 0.176 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -3.948 -6.070 0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -4.549 -3.286 -0.256 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -3.576 -3.783 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -2.471 -3.068 -1.291 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -1.698 -4.206 -0.205 1.00 0.00 H new ATOM 954 N HIS A 155 -6.455 -5.469 -1.839 1.00 0.00 N ATOM 955 CA HIS A 155 -7.638 -5.154 -2.634 1.00 0.00 C ATOM 956 C HIS A 155 -8.743 -4.550 -1.769 1.00 0.00 C ATOM 957 O HIS A 155 -8.804 -4.795 -0.564 1.00 0.00 O ATOM 958 CB HIS A 155 -8.153 -6.409 -3.340 1.00 0.00 C ATOM 959 CG HIS A 155 -8.501 -7.524 -2.404 1.00 0.00 C ATOM 960 ND1 HIS A 155 -9.681 -8.141 -2.159 1.00 0.00 N flip ATOM 961 CD2 HIS A 155 -7.575 -8.136 -1.586 1.00 0.00 C flip ATOM 962 CE1 HIS A 155 -9.448 -9.103 -1.208 1.00 0.00 C flip ATOM 963 NE2 HIS A 155 -8.170 -9.080 -0.880 1.00 0.00 N flip ATOM 0 H HIS A 155 -6.647 -5.654 -0.854 1.00 0.00 H new ATOM 0 HA HIS A 155 -7.350 -4.415 -3.382 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -9.035 -6.150 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -7.395 -6.758 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -6.527 -7.883 -1.531 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -10.190 -9.770 -0.795 1.00 0.00 H new ATOM 0 HE2 HIS A 155 -7.718 -9.688 -0.197 1.00 0.00 H new ATOM 972 N CYS A 156 -9.615 -3.762 -2.395 1.00 0.00 N ATOM 973 CA CYS A 156 -10.722 -3.123 -1.687 1.00 0.00 C ATOM 974 C CYS A 156 -12.001 -3.946 -1.812 1.00 0.00 C ATOM 975 O CYS A 156 -12.296 -4.496 -2.873 1.00 0.00 O ATOM 976 CB CYS A 156 -10.971 -1.716 -2.240 1.00 0.00 C ATOM 977 SG CYS A 156 -9.646 -0.516 -1.892 1.00 0.00 S ATOM 0 H CYS A 156 -9.576 -3.551 -3.392 1.00 0.00 H new ATOM 0 HA CYS A 156 -10.446 -3.057 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 156 -11.107 -1.783 -3.319 1.00 0.00 H new ATOM 0 HB3 CYS A 156 -11.904 -1.337 -1.824 1.00 0.00 H new ATOM 982 N GLN A 157 -12.758 -4.022 -0.720 1.00 0.00 N ATOM 983 CA GLN A 157 -14.009 -4.774 -0.708 1.00 0.00 C ATOM 984 C GLN A 157 -15.134 -3.965 -0.074 1.00 0.00 C ATOM 985 O GLN A 157 -14.917 -3.211 0.875 1.00 0.00 O ATOM 986 CB GLN A 157 -13.838 -6.099 0.038 1.00 0.00 C ATOM 987 CG GLN A 157 -12.966 -7.105 -0.697 1.00 0.00 C ATOM 988 CD GLN A 157 -13.578 -7.591 -2.002 1.00 0.00 C ATOM 989 OE1 GLN A 157 -14.809 -7.175 -2.285 1.00 0.00 O flip ATOM 990 NE2 GLN A 157 -12.950 -8.345 -2.746 1.00 0.00 N flip ATOM 0 H GLN A 157 -12.527 -3.573 0.166 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.276 -4.982 -1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -13.403 -5.901 1.017 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -14.820 -6.539 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -11.997 -6.652 -0.905 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -12.785 -7.961 -0.047 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -12.007 -8.642 -2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -13.372 -8.673 -3.615 1.00 0.00 H new ATOM 999 N VAL A 158 -16.337 -4.136 -0.607 1.00 0.00 N ATOM 1000 CA VAL A 158 -17.510 -3.441 -0.110 1.00 0.00 C ATOM 1001 C VAL A 158 -17.975 -4.054 1.201 1.00 0.00 C ATOM 1002 O VAL A 158 -18.063 -5.276 1.327 1.00 0.00 O ATOM 1003 CB VAL A 158 -18.659 -3.492 -1.135 1.00 0.00 C ATOM 1004 CG1 VAL A 158 -18.969 -4.934 -1.512 1.00 0.00 C ATOM 1005 CG2 VAL A 158 -19.898 -2.794 -0.593 1.00 0.00 C ATOM 0 H VAL A 158 -16.523 -4.759 -1.393 1.00 0.00 H new ATOM 0 HA VAL A 158 -17.233 -2.400 0.055 1.00 0.00 H new ATOM 0 HB VAL A 158 -18.343 -2.963 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -19.783 -4.954 -2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -18.083 -5.394 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -19.264 -5.488 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -20.696 -2.842 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -20.222 -3.288 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -19.664 -1.751 -0.380 1.00 0.00 H new ATOM 1015 N ASN A 159 -18.261 -3.209 2.179 1.00 0.00 N ATOM 1016 CA ASN A 159 -18.706 -3.689 3.475 1.00 0.00 C ATOM 1017 C ASN A 159 -20.069 -4.365 3.368 1.00 0.00 C ATOM 1018 O ASN A 159 -20.353 -5.256 4.197 1.00 0.00 O ATOM 1019 CB ASN A 159 -18.762 -2.541 4.485 1.00 0.00 C ATOM 1020 CG ASN A 159 -19.714 -1.439 4.061 1.00 0.00 C ATOM 1021 OD1 ASN A 159 -20.908 -1.669 3.876 1.00 0.00 O ATOM 1022 ND2 ASN A 159 -19.186 -0.229 3.907 1.00 0.00 N ATOM 1023 OXT ASN A 159 -20.842 -3.998 2.458 1.00 0.00 O ATOM 0 H ASN A 159 -18.193 -2.194 2.100 1.00 0.00 H new ATOM 0 HA ASN A 159 -17.984 -4.427 3.825 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -19.071 -2.930 5.455 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -17.763 -2.124 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -19.777 0.553 3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -18.190 -0.083 4.071 1.00 0.00 H new TER 1030 ASN A 159