USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 386 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 16 LYS NZ :NH3+ 158:sc= -1.62! (180deg=-1.83!) USER MOD Set 1.2: A 31 GLN : amide:sc= -17.3! C(o=-20!,f=-25!) USER MOD Set 1.3: A 36 TYR OH : rot -44:sc= -0.628 USER MOD Single : A 8 SER OG : rot 9:sc= 0.861 USER MOD Single : A 11 THR OG1 : rot 70:sc= -0.302! USER MOD Single : A 12 LYS NZ :NH3+ 147:sc= -2.01! (180deg=-2.08!) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= -5.23! (180deg=-5.59!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.28 F(o=-4.3!,f=-1.3) USER MOD Single : A 23 ASN : amide:sc= -0.933! C(o=-0.93!,f=-1.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 33 LYS NZ :NH3+ 161:sc=-0.00452 (180deg=-0.38) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 40 TYR OH : rot 35:sc= -3.75! USER MOD Single : A 42 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 43 HIS : no HE2:sc= -9.11! C(o=-9.1!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 48 ASN :FLIP amide:sc= -7.96! C(o=-9.1!,f=-8!) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 -2.955 9.797 -6.772 1.00 0.00 N ATOM 18 CA GLU A 2 -2.341 9.752 -5.416 1.00 0.00 C ATOM 19 C GLU A 2 -2.818 8.499 -4.680 1.00 0.00 C ATOM 20 O GLU A 2 -3.953 8.084 -4.806 1.00 0.00 O ATOM 21 CB GLU A 2 -2.753 10.996 -4.627 1.00 0.00 C ATOM 22 CG GLU A 2 -1.579 11.975 -4.571 1.00 0.00 C ATOM 23 CD GLU A 2 -0.720 11.673 -3.342 1.00 0.00 C ATOM 24 OE1 GLU A 2 -0.290 10.539 -3.209 1.00 0.00 O ATOM 25 OE2 GLU A 2 -0.509 12.580 -2.554 1.00 0.00 O ATOM 0 HA GLU A 2 -1.255 9.726 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.614 11.470 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.056 10.716 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.979 11.891 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.948 13.000 -4.527 1.00 0.00 H new ATOM 32 N PHE A 3 -1.953 7.890 -3.919 1.00 0.00 N ATOM 33 CA PHE A 3 -2.336 6.662 -3.176 1.00 0.00 C ATOM 34 C PHE A 3 -1.604 6.668 -1.838 1.00 0.00 C ATOM 35 O PHE A 3 -0.640 7.374 -1.658 1.00 0.00 O ATOM 36 CB PHE A 3 -1.936 5.437 -4.029 1.00 0.00 C ATOM 37 CG PHE A 3 -1.406 4.310 -3.204 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.141 4.429 -2.659 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.139 3.132 -3.031 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.404 3.383 -1.942 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.588 2.075 -2.318 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.320 2.192 -1.773 1.00 0.00 C ATOM 0 H PHE A 3 -0.989 8.194 -3.780 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.409 6.621 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.803 5.093 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.181 5.736 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.421 5.341 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.130 3.044 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.389 3.481 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.149 1.161 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.110 1.370 -1.220 1.00 0.00 H new ATOM 52 N LEU A 4 -2.066 5.886 -0.910 1.00 0.00 N ATOM 53 CA LEU A 4 -1.411 5.821 0.437 1.00 0.00 C ATOM 54 C LEU A 4 0.098 5.628 0.256 1.00 0.00 C ATOM 55 O LEU A 4 0.598 4.524 0.279 1.00 0.00 O ATOM 56 CB LEU A 4 -1.996 4.636 1.211 1.00 0.00 C ATOM 57 CG LEU A 4 -2.350 3.532 0.228 1.00 0.00 C ATOM 58 CD1 LEU A 4 -1.934 2.197 0.811 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.855 3.540 -0.003 1.00 0.00 C ATOM 0 H LEU A 4 -2.878 5.279 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.590 6.744 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.276 4.272 1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.883 4.947 1.763 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.833 3.693 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.185 1.400 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.859 2.197 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.458 2.032 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.119 2.751 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.369 3.369 0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.155 4.505 -0.410 1.00 0.00 H new ATOM 71 N GLU A 5 0.827 6.697 0.088 1.00 0.00 N ATOM 72 CA GLU A 5 2.299 6.574 -0.098 1.00 0.00 C ATOM 73 C GLU A 5 2.923 6.073 1.203 1.00 0.00 C ATOM 74 O GLU A 5 4.076 5.695 1.254 1.00 0.00 O ATOM 75 CB GLU A 5 2.881 7.940 -0.481 1.00 0.00 C ATOM 76 CG GLU A 5 2.280 8.421 -1.816 1.00 0.00 C ATOM 77 CD GLU A 5 2.573 9.910 -1.986 1.00 0.00 C ATOM 78 OE1 GLU A 5 2.818 10.562 -0.985 1.00 0.00 O ATOM 79 OE2 GLU A 5 2.538 10.372 -3.109 1.00 0.00 O ATOM 0 H GLU A 5 0.466 7.651 0.072 1.00 0.00 H new ATOM 0 HA GLU A 5 2.519 5.865 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 5 2.669 8.666 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.965 7.870 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.706 7.857 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.204 8.245 -1.830 1.00 0.00 H new ATOM 86 N ASP A 6 2.150 6.047 2.249 1.00 0.00 N ATOM 87 CA ASP A 6 2.649 5.552 3.556 1.00 0.00 C ATOM 88 C ASP A 6 1.456 4.963 4.299 1.00 0.00 C ATOM 89 O ASP A 6 0.837 5.634 5.099 1.00 0.00 O ATOM 90 CB ASP A 6 3.239 6.713 4.360 1.00 0.00 C ATOM 91 CG ASP A 6 4.276 7.448 3.509 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.369 6.927 3.360 1.00 0.00 O ATOM 93 OD2 ASP A 6 3.960 8.521 3.021 1.00 0.00 O ATOM 0 H ASP A 6 1.177 6.353 2.252 1.00 0.00 H new ATOM 0 HA ASP A 6 3.428 4.803 3.416 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.448 7.400 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.702 6.339 5.273 1.00 0.00 H new ATOM 98 N PRO A 7 1.147 3.729 3.981 1.00 0.00 N ATOM 99 CA PRO A 7 0.000 3.023 4.580 1.00 0.00 C ATOM 100 C PRO A 7 0.326 2.523 5.991 1.00 0.00 C ATOM 101 O PRO A 7 0.312 1.337 6.255 1.00 0.00 O ATOM 102 CB PRO A 7 -0.234 1.844 3.638 1.00 0.00 C ATOM 103 CG PRO A 7 1.092 1.611 2.894 1.00 0.00 C ATOM 104 CD PRO A 7 1.909 2.921 2.997 1.00 0.00 C ATOM 0 HA PRO A 7 -0.872 3.668 4.686 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.528 0.954 4.195 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.040 2.061 2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.641 0.779 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.908 1.353 1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.928 2.733 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.981 3.426 2.034 1.00 0.00 H new ATOM 112 N SER A 8 0.609 3.409 6.903 1.00 0.00 N ATOM 113 CA SER A 8 0.923 2.973 8.291 1.00 0.00 C ATOM 114 C SER A 8 -0.220 3.389 9.220 1.00 0.00 C ATOM 115 O SER A 8 -0.102 3.332 10.428 1.00 0.00 O ATOM 116 CB SER A 8 2.224 3.632 8.753 1.00 0.00 C ATOM 117 OG SER A 8 2.338 3.517 10.164 1.00 0.00 O ATOM 0 H SER A 8 0.637 4.417 6.747 1.00 0.00 H new ATOM 0 HA SER A 8 1.040 1.890 8.317 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.077 3.157 8.269 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.236 4.682 8.461 1.00 0.00 H new ATOM 0 HG SER A 8 1.636 2.922 10.502 1.00 0.00 H new ATOM 123 N VAL A 9 -1.324 3.815 8.666 1.00 0.00 N ATOM 124 CA VAL A 9 -2.470 4.241 9.519 1.00 0.00 C ATOM 125 C VAL A 9 -3.762 3.561 9.051 1.00 0.00 C ATOM 126 O VAL A 9 -4.812 3.748 9.632 1.00 0.00 O ATOM 127 CB VAL A 9 -2.632 5.757 9.427 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.493 6.439 10.186 1.00 0.00 C ATOM 129 CG2 VAL A 9 -2.589 6.180 7.960 1.00 0.00 C ATOM 0 H VAL A 9 -1.481 3.886 7.661 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.272 3.951 10.551 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.586 6.050 9.865 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.609 7.521 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.519 6.134 11.232 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.538 6.149 9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.704 7.262 7.890 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.633 5.888 7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.399 5.693 7.417 1.00 0.00 H new ATOM 139 N LEU A 10 -3.701 2.769 8.012 1.00 0.00 N ATOM 140 CA LEU A 10 -4.940 2.086 7.533 1.00 0.00 C ATOM 141 C LEU A 10 -5.028 0.697 8.132 1.00 0.00 C ATOM 142 O LEU A 10 -5.807 0.463 9.032 1.00 0.00 O ATOM 143 CB LEU A 10 -4.971 1.971 5.983 1.00 0.00 C ATOM 144 CG LEU A 10 -3.573 2.237 5.404 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.515 1.830 3.926 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.254 3.728 5.533 1.00 0.00 C ATOM 0 H LEU A 10 -2.855 2.567 7.479 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.790 2.689 7.851 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.310 0.977 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.685 2.685 5.572 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.842 1.647 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.517 2.026 3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.740 0.768 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.247 2.407 3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.263 3.925 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.995 4.308 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.276 4.015 6.584 1.00 0.00 H new ATOM 158 N THR A 11 -4.283 -0.234 7.600 1.00 0.00 N ATOM 159 CA THR A 11 -4.360 -1.638 8.059 1.00 0.00 C ATOM 160 C THR A 11 -3.914 -2.499 6.888 1.00 0.00 C ATOM 161 O THR A 11 -3.494 -1.991 5.868 1.00 0.00 O ATOM 162 CB THR A 11 -5.822 -1.952 8.353 1.00 0.00 C ATOM 163 OG1 THR A 11 -6.040 -3.354 8.389 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.677 -1.319 7.245 1.00 0.00 C ATOM 0 H THR A 11 -3.611 -0.070 6.850 1.00 0.00 H new ATOM 0 HA THR A 11 -3.748 -1.814 8.944 1.00 0.00 H new ATOM 0 HB THR A 11 -6.095 -1.547 9.327 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.611 -3.731 9.185 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.730 -1.530 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.519 -0.241 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.390 -1.737 6.280 1.00 0.00 H new ATOM 172 N LYS A 12 -4.019 -3.780 6.995 1.00 0.00 N ATOM 173 CA LYS A 12 -3.617 -4.620 5.846 1.00 0.00 C ATOM 174 C LYS A 12 -4.828 -4.829 4.923 1.00 0.00 C ATOM 175 O LYS A 12 -4.748 -5.526 3.935 1.00 0.00 O ATOM 176 CB LYS A 12 -3.108 -5.978 6.345 1.00 0.00 C ATOM 177 CG LYS A 12 -1.638 -6.170 5.934 1.00 0.00 C ATOM 178 CD LYS A 12 -0.747 -5.792 7.118 1.00 0.00 C ATOM 179 CE LYS A 12 -0.849 -6.871 8.199 1.00 0.00 C ATOM 180 NZ LYS A 12 0.217 -7.890 7.985 1.00 0.00 N ATOM 0 H LYS A 12 -4.361 -4.281 7.815 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.818 -4.123 5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.202 -6.035 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.718 -6.780 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.459 -7.205 5.641 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.403 -5.549 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.287 -5.688 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.052 -4.827 7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.745 -6.422 9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.831 -7.343 8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.530 -8.263 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.158 -8.668 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.023 -7.451 7.496 1.00 0.00 H new ATOM 194 N ASP A 13 -5.952 -4.232 5.235 1.00 0.00 N ATOM 195 CA ASP A 13 -7.158 -4.423 4.371 1.00 0.00 C ATOM 196 C ASP A 13 -7.503 -3.146 3.589 1.00 0.00 C ATOM 197 O ASP A 13 -8.100 -3.215 2.533 1.00 0.00 O ATOM 198 CB ASP A 13 -8.350 -4.808 5.252 1.00 0.00 C ATOM 199 CG ASP A 13 -9.297 -5.714 4.462 1.00 0.00 C ATOM 200 OD1 ASP A 13 -9.764 -5.285 3.420 1.00 0.00 O ATOM 201 OD2 ASP A 13 -9.538 -6.822 4.912 1.00 0.00 O ATOM 0 H ASP A 13 -6.086 -3.625 6.044 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.939 -5.212 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.002 -5.321 6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.877 -3.912 5.581 1.00 0.00 H new ATOM 206 N LYS A 14 -7.145 -1.985 4.072 1.00 0.00 N ATOM 207 CA LYS A 14 -7.475 -0.752 3.315 1.00 0.00 C ATOM 208 C LYS A 14 -6.479 -0.609 2.172 1.00 0.00 C ATOM 209 O LYS A 14 -6.849 -0.527 1.018 1.00 0.00 O ATOM 210 CB LYS A 14 -7.393 0.441 4.245 1.00 0.00 C ATOM 211 CG LYS A 14 -8.110 1.649 3.635 1.00 0.00 C ATOM 212 CD LYS A 14 -7.527 1.984 2.258 1.00 0.00 C ATOM 213 CE LYS A 14 -6.010 2.132 2.364 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.695 3.494 2.882 1.00 0.00 N ATOM 0 H LYS A 14 -6.644 -1.842 4.949 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.485 -0.807 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.842 0.191 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.349 0.689 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.175 1.438 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.011 2.510 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.777 1.198 1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.967 2.907 1.881 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.602 1.371 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.547 1.983 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.664 3.631 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.132 4.209 2.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.069 3.593 3.847 1.00 0.00 H new ATOM 228 N LEU A 15 -5.208 -0.603 2.486 1.00 0.00 N ATOM 229 CA LEU A 15 -4.165 -0.487 1.416 1.00 0.00 C ATOM 230 C LEU A 15 -4.574 -1.368 0.242 1.00 0.00 C ATOM 231 O LEU A 15 -4.172 -1.167 -0.884 1.00 0.00 O ATOM 232 CB LEU A 15 -2.793 -0.986 1.917 1.00 0.00 C ATOM 233 CG LEU A 15 -2.902 -1.614 3.305 1.00 0.00 C ATOM 234 CD1 LEU A 15 -3.875 -2.781 3.274 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.537 -2.141 3.722 1.00 0.00 C ATOM 0 H LEU A 15 -4.845 -0.673 3.437 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.084 0.561 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.392 -1.717 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.090 -0.154 1.947 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.254 -0.859 4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.946 -3.222 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.858 -2.427 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.520 -3.532 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.608 -2.591 4.712 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.202 -2.891 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.822 -1.319 3.747 1.00 0.00 H new ATOM 247 N LYS A 16 -5.357 -2.361 0.527 1.00 0.00 N ATOM 248 CA LYS A 16 -5.806 -3.314 -0.489 1.00 0.00 C ATOM 249 C LYS A 16 -7.045 -2.761 -1.185 1.00 0.00 C ATOM 250 O LYS A 16 -7.083 -2.610 -2.390 1.00 0.00 O ATOM 251 CB LYS A 16 -6.086 -4.593 0.302 1.00 0.00 C ATOM 252 CG LYS A 16 -7.453 -5.184 0.010 1.00 0.00 C ATOM 253 CD LYS A 16 -7.667 -6.389 0.921 1.00 0.00 C ATOM 254 CE LYS A 16 -6.644 -7.483 0.627 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.968 -8.659 1.478 1.00 0.00 N ATOM 0 H LYS A 16 -5.713 -2.550 1.464 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.082 -3.501 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.320 -5.332 0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.009 -4.378 1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.231 -4.439 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.520 -5.484 -1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.586 -6.081 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.675 -6.781 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.672 -7.757 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.635 -7.127 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.555 -9.516 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.575 -8.517 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.000 -8.767 1.542 1.00 0.00 H new ATOM 269 N SER A 17 -8.047 -2.443 -0.431 1.00 0.00 N ATOM 270 CA SER A 17 -9.282 -1.875 -1.044 1.00 0.00 C ATOM 271 C SER A 17 -8.873 -0.795 -2.040 1.00 0.00 C ATOM 272 O SER A 17 -9.587 -0.493 -2.976 1.00 0.00 O ATOM 273 CB SER A 17 -10.175 -1.258 0.031 1.00 0.00 C ATOM 274 OG SER A 17 -11.462 -1.855 -0.023 1.00 0.00 O ATOM 0 H SER A 17 -8.072 -2.549 0.583 1.00 0.00 H new ATOM 0 HA SER A 17 -9.837 -2.668 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.734 -1.409 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.255 -0.182 -0.121 1.00 0.00 H new ATOM 0 HG SER A 17 -12.035 -1.461 0.668 1.00 0.00 H new ATOM 280 N GLU A 18 -7.719 -0.218 -1.850 1.00 0.00 N ATOM 281 CA GLU A 18 -7.252 0.833 -2.789 1.00 0.00 C ATOM 282 C GLU A 18 -6.461 0.164 -3.920 1.00 0.00 C ATOM 283 O GLU A 18 -6.812 0.294 -5.074 1.00 0.00 O ATOM 284 CB GLU A 18 -6.363 1.844 -2.061 1.00 0.00 C ATOM 285 CG GLU A 18 -6.918 2.134 -0.654 1.00 0.00 C ATOM 286 CD GLU A 18 -8.279 2.822 -0.780 1.00 0.00 C ATOM 287 OE1 GLU A 18 -9.102 2.332 -1.536 1.00 0.00 O ATOM 288 OE2 GLU A 18 -8.476 3.828 -0.117 1.00 0.00 O ATOM 0 H GLU A 18 -7.080 -0.431 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.112 1.365 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.347 1.456 -1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.309 2.769 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.017 1.206 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.226 2.769 -0.101 1.00 0.00 H new ATOM 295 N LEU A 19 -5.397 -0.549 -3.596 1.00 0.00 N ATOM 296 CA LEU A 19 -4.586 -1.238 -4.654 1.00 0.00 C ATOM 297 C LEU A 19 -5.497 -1.673 -5.803 1.00 0.00 C ATOM 298 O LEU A 19 -5.162 -1.540 -6.963 1.00 0.00 O ATOM 299 CB LEU A 19 -3.911 -2.482 -4.066 1.00 0.00 C ATOM 300 CG LEU A 19 -2.573 -2.107 -3.449 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.371 -2.879 -2.147 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.497 -2.522 -4.422 1.00 0.00 C ATOM 0 H LEU A 19 -5.059 -0.681 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.829 -0.545 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.555 -2.932 -3.311 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.764 -3.229 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.537 -1.037 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.411 -2.607 -1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.172 -2.632 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.386 -3.949 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.519 -2.268 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.553 -3.598 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.641 -2.000 -5.368 1.00 0.00 H new ATOM 314 N VAL A 20 -6.656 -2.181 -5.484 1.00 0.00 N ATOM 315 CA VAL A 20 -7.600 -2.613 -6.549 1.00 0.00 C ATOM 316 C VAL A 20 -7.828 -1.437 -7.503 1.00 0.00 C ATOM 317 O VAL A 20 -7.552 -1.515 -8.684 1.00 0.00 O ATOM 318 CB VAL A 20 -8.928 -3.031 -5.900 1.00 0.00 C ATOM 319 CG1 VAL A 20 -10.055 -2.990 -6.936 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.796 -4.452 -5.356 1.00 0.00 C ATOM 0 H VAL A 20 -6.989 -2.315 -4.529 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.193 -3.458 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.163 -2.342 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.992 -3.288 -6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.152 -1.978 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.824 -3.675 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.736 -4.754 -4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.558 -5.134 -6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.000 -4.484 -4.612 1.00 0.00 H new ATOM 330 N ALA A 21 -8.330 -0.352 -6.991 1.00 0.00 N ATOM 331 CA ALA A 21 -8.586 0.842 -7.841 1.00 0.00 C ATOM 332 C ALA A 21 -7.270 1.378 -8.410 1.00 0.00 C ATOM 333 O ALA A 21 -7.264 2.211 -9.295 1.00 0.00 O ATOM 334 CB ALA A 21 -9.223 1.931 -6.977 1.00 0.00 C ATOM 0 H ALA A 21 -8.577 -0.239 -6.008 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.247 0.563 -8.662 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.416 2.813 -7.587 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.162 1.564 -6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.546 2.194 -6.164 1.00 0.00 H new ATOM 340 N ASN A 22 -6.157 0.939 -7.895 1.00 0.00 N ATOM 341 CA ASN A 22 -4.855 1.464 -8.396 1.00 0.00 C ATOM 342 C ASN A 22 -4.147 0.426 -9.276 1.00 0.00 C ATOM 343 O ASN A 22 -2.946 0.251 -9.211 1.00 0.00 O ATOM 344 CB ASN A 22 -3.992 1.836 -7.187 1.00 0.00 C ATOM 345 CG ASN A 22 -4.851 2.703 -6.254 1.00 0.00 C ATOM 346 OD1 ASN A 22 -5.100 2.316 -5.029 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 -5.307 3.757 -6.651 1.00 0.00 N flip ATOM 0 H ASN A 22 -6.091 0.243 -7.152 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.025 2.345 -9.015 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.650 0.939 -6.670 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.102 2.380 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.119 4.067 -7.604 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.878 4.331 -6.031 1.00 0.00 H new ATOM 354 N ASN A 23 -4.887 -0.235 -10.124 1.00 0.00 N ATOM 355 CA ASN A 23 -4.281 -1.237 -11.054 1.00 0.00 C ATOM 356 C ASN A 23 -3.435 -2.271 -10.302 1.00 0.00 C ATOM 357 O ASN A 23 -2.243 -2.377 -10.512 1.00 0.00 O ATOM 358 CB ASN A 23 -3.394 -0.508 -12.065 1.00 0.00 C ATOM 359 CG ASN A 23 -2.637 -1.533 -12.912 1.00 0.00 C ATOM 360 OD1 ASN A 23 -3.189 -2.544 -13.299 1.00 0.00 O ATOM 361 ND2 ASN A 23 -1.388 -1.313 -13.218 1.00 0.00 N ATOM 0 H ASN A 23 -5.897 -0.124 -10.215 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.091 -1.764 -11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.003 0.130 -12.705 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.690 0.141 -11.545 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.874 -1.990 -13.782 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.925 -0.464 -12.893 1.00 0.00 H new ATOM 368 N VAL A 24 -4.040 -3.056 -9.453 1.00 0.00 N ATOM 369 CA VAL A 24 -3.267 -4.101 -8.725 1.00 0.00 C ATOM 370 C VAL A 24 -4.211 -5.252 -8.375 1.00 0.00 C ATOM 371 O VAL A 24 -5.220 -5.059 -7.726 1.00 0.00 O ATOM 372 CB VAL A 24 -2.670 -3.515 -7.447 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.735 -4.551 -6.815 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.873 -2.252 -7.793 1.00 0.00 C ATOM 0 H VAL A 24 -5.035 -3.019 -9.232 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.454 -4.464 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.466 -3.261 -6.747 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.303 -4.142 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.299 -5.453 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.937 -4.796 -7.516 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.445 -1.831 -6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.072 -2.506 -8.487 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.535 -1.520 -8.256 1.00 0.00 H new ATOM 384 N THR A 25 -3.906 -6.447 -8.807 1.00 0.00 N ATOM 385 CA THR A 25 -4.801 -7.585 -8.501 1.00 0.00 C ATOM 386 C THR A 25 -4.701 -7.942 -7.023 1.00 0.00 C ATOM 387 O THR A 25 -3.721 -7.660 -6.362 1.00 0.00 O ATOM 388 CB THR A 25 -4.402 -8.794 -9.330 1.00 0.00 C ATOM 389 OG1 THR A 25 -3.091 -8.610 -9.850 1.00 0.00 O ATOM 390 CG2 THR A 25 -5.392 -8.984 -10.481 1.00 0.00 C ATOM 0 H THR A 25 -3.078 -6.677 -9.356 1.00 0.00 H new ATOM 0 HA THR A 25 -5.825 -7.298 -8.740 1.00 0.00 H new ATOM 0 HB THR A 25 -4.415 -9.681 -8.696 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.837 -9.393 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.101 -9.852 -11.072 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.393 -9.138 -10.078 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.389 -8.097 -11.114 1.00 0.00 H new ATOM 398 N LEU A 26 -5.724 -8.556 -6.505 1.00 0.00 N ATOM 399 CA LEU A 26 -5.738 -8.943 -5.063 1.00 0.00 C ATOM 400 C LEU A 26 -5.756 -10.479 -4.987 1.00 0.00 C ATOM 401 O LEU A 26 -6.710 -11.098 -5.414 1.00 0.00 O ATOM 402 CB LEU A 26 -7.009 -8.389 -4.392 1.00 0.00 C ATOM 403 CG LEU A 26 -7.154 -6.861 -4.528 1.00 0.00 C ATOM 404 CD1 LEU A 26 -7.182 -6.197 -3.154 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.039 -6.224 -5.351 1.00 0.00 C ATOM 0 H LEU A 26 -6.564 -8.811 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.862 -8.541 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.883 -8.870 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.998 -8.653 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.096 -6.699 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.285 -5.118 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.026 -6.581 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.255 -6.417 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.199 -5.147 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.078 -6.423 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.042 -6.646 -6.356 1.00 0.00 H new ATOM 417 N PRO A 27 -4.696 -11.055 -4.476 1.00 0.00 N ATOM 418 CA PRO A 27 -4.564 -12.521 -4.373 1.00 0.00 C ATOM 419 C PRO A 27 -5.389 -13.096 -3.208 1.00 0.00 C ATOM 420 O PRO A 27 -6.554 -13.406 -3.358 1.00 0.00 O ATOM 421 CB PRO A 27 -3.060 -12.723 -4.139 1.00 0.00 C ATOM 422 CG PRO A 27 -2.530 -11.399 -3.549 1.00 0.00 C ATOM 423 CD PRO A 27 -3.532 -10.308 -3.956 1.00 0.00 C ATOM 0 HA PRO A 27 -4.937 -13.036 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.881 -13.552 -3.455 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.551 -12.964 -5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.446 -11.464 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.535 -11.174 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.808 -9.684 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.113 -9.646 -4.714 1.00 0.00 H new ATOM 431 N ALA A 28 -4.787 -13.271 -2.060 1.00 0.00 N ATOM 432 CA ALA A 28 -5.527 -13.860 -0.901 1.00 0.00 C ATOM 433 C ALA A 28 -6.700 -12.967 -0.491 1.00 0.00 C ATOM 434 O ALA A 28 -6.954 -11.938 -1.085 1.00 0.00 O ATOM 435 CB ALA A 28 -4.570 -14.016 0.282 1.00 0.00 C ATOM 0 H ALA A 28 -3.813 -13.031 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.920 -14.833 -1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.105 -14.445 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.748 -14.675 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.173 -13.040 0.560 1.00 0.00 H new ATOM 441 N GLY A 29 -7.415 -13.361 0.534 1.00 0.00 N ATOM 442 CA GLY A 29 -8.576 -12.543 1.004 1.00 0.00 C ATOM 443 C GLY A 29 -8.217 -11.874 2.333 1.00 0.00 C ATOM 444 O GLY A 29 -7.846 -10.722 2.369 1.00 0.00 O ATOM 0 H GLY A 29 -7.245 -14.214 1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.829 -11.788 0.260 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.455 -13.175 1.128 1.00 0.00 H new ATOM 448 N GLU A 30 -8.315 -12.582 3.425 1.00 0.00 N ATOM 449 CA GLU A 30 -7.964 -11.964 4.738 1.00 0.00 C ATOM 450 C GLU A 30 -6.660 -11.178 4.577 1.00 0.00 C ATOM 451 O GLU A 30 -6.665 -9.975 4.409 1.00 0.00 O ATOM 452 CB GLU A 30 -7.776 -13.063 5.788 1.00 0.00 C ATOM 453 CG GLU A 30 -7.104 -12.473 7.030 1.00 0.00 C ATOM 454 CD GLU A 30 -5.652 -12.952 7.099 1.00 0.00 C ATOM 455 OE1 GLU A 30 -5.407 -14.093 6.744 1.00 0.00 O ATOM 456 OE2 GLU A 30 -4.810 -12.168 7.504 1.00 0.00 O ATOM 0 H GLU A 30 -8.620 -13.554 3.467 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.763 -11.296 5.061 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.741 -13.495 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.167 -13.870 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.138 -11.384 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.642 -12.778 7.928 1.00 0.00 H new ATOM 463 N GLN A 31 -5.549 -11.858 4.584 1.00 0.00 N ATOM 464 CA GLN A 31 -4.252 -11.177 4.385 1.00 0.00 C ATOM 465 C GLN A 31 -3.128 -12.204 4.496 1.00 0.00 C ATOM 466 O GLN A 31 -2.727 -12.584 5.578 1.00 0.00 O ATOM 467 CB GLN A 31 -4.028 -10.062 5.433 1.00 0.00 C ATOM 468 CG GLN A 31 -3.543 -8.775 4.775 1.00 0.00 C ATOM 469 CD GLN A 31 -4.774 -8.031 4.246 1.00 0.00 C ATOM 470 OE1 GLN A 31 -5.009 -7.971 3.060 1.00 0.00 O ATOM 471 NE2 GLN A 31 -5.596 -7.475 5.095 1.00 0.00 N ATOM 0 H GLN A 31 -5.489 -12.867 4.721 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.256 -10.717 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.958 -9.871 5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.297 -10.394 6.170 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.002 -8.158 5.493 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.852 -8.998 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.404 -7.522 6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.430 -6.994 4.757 1.00 0.00 H new ATOM 480 N ARG A 32 -2.618 -12.643 3.385 1.00 0.00 N ATOM 481 CA ARG A 32 -1.522 -13.624 3.380 1.00 0.00 C ATOM 482 C ARG A 32 -0.540 -13.313 4.517 1.00 0.00 C ATOM 483 O ARG A 32 -0.407 -14.067 5.462 1.00 0.00 O ATOM 484 CB ARG A 32 -0.831 -13.476 2.025 1.00 0.00 C ATOM 485 CG ARG A 32 -0.817 -14.806 1.277 1.00 0.00 C ATOM 486 CD ARG A 32 0.296 -14.801 0.220 1.00 0.00 C ATOM 487 NE ARG A 32 0.615 -16.204 -0.168 1.00 0.00 N ATOM 488 CZ ARG A 32 1.701 -16.463 -0.844 1.00 0.00 C ATOM 489 NH1 ARG A 32 2.118 -15.626 -1.755 1.00 0.00 N ATOM 490 NH2 ARG A 32 2.371 -17.558 -0.609 1.00 0.00 N ATOM 0 H ARG A 32 -2.929 -12.350 2.459 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.887 -14.640 3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.347 -12.723 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.190 -13.124 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.660 -15.626 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.782 -14.975 0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.020 -14.233 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.185 -14.310 0.615 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.015 -16.962 0.095 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.595 -14.770 -1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.967 -15.828 -2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.046 -18.212 0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.220 -17.760 -1.138 1.00 0.00 H new ATOM 504 N LYS A 33 0.139 -12.205 4.433 1.00 0.00 N ATOM 505 CA LYS A 33 1.109 -11.823 5.498 1.00 0.00 C ATOM 506 C LYS A 33 1.747 -10.493 5.106 1.00 0.00 C ATOM 507 O LYS A 33 2.758 -10.457 4.432 1.00 0.00 O ATOM 508 CB LYS A 33 2.191 -12.898 5.620 1.00 0.00 C ATOM 509 CG LYS A 33 2.504 -13.143 7.097 1.00 0.00 C ATOM 510 CD LYS A 33 3.343 -11.983 7.640 1.00 0.00 C ATOM 511 CE LYS A 33 3.364 -12.042 9.169 1.00 0.00 C ATOM 512 NZ LYS A 33 3.791 -13.401 9.608 1.00 0.00 N ATOM 0 H LYS A 33 0.063 -11.539 3.664 1.00 0.00 H new ATOM 0 HA LYS A 33 0.599 -11.729 6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.854 -13.822 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.092 -12.583 5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.579 -13.234 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.044 -14.083 7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.359 -12.040 7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.927 -11.032 7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.047 -11.290 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.375 -11.814 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.115 -13.361 10.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.988 -14.058 9.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.568 -13.733 9.002 1.00 0.00 H new ATOM 526 N ASP A 34 1.156 -9.394 5.493 1.00 0.00 N ATOM 527 CA ASP A 34 1.733 -8.079 5.100 1.00 0.00 C ATOM 528 C ASP A 34 1.884 -8.063 3.578 1.00 0.00 C ATOM 529 O ASP A 34 2.652 -7.302 3.027 1.00 0.00 O ATOM 530 CB ASP A 34 3.109 -7.903 5.757 1.00 0.00 C ATOM 531 CG ASP A 34 3.094 -6.662 6.650 1.00 0.00 C ATOM 532 OD1 ASP A 34 3.136 -5.567 6.111 1.00 0.00 O ATOM 533 OD2 ASP A 34 3.038 -6.825 7.858 1.00 0.00 O ATOM 0 H ASP A 34 0.308 -9.351 6.058 1.00 0.00 H new ATOM 0 HA ASP A 34 1.082 -7.267 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.357 -8.785 6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.879 -7.804 4.992 1.00 0.00 H new ATOM 538 N VAL A 35 1.166 -8.918 2.897 1.00 0.00 N ATOM 539 CA VAL A 35 1.272 -8.977 1.420 1.00 0.00 C ATOM 540 C VAL A 35 0.796 -7.680 0.784 1.00 0.00 C ATOM 541 O VAL A 35 1.407 -7.200 -0.130 1.00 0.00 O ATOM 542 CB VAL A 35 0.417 -10.127 0.888 1.00 0.00 C ATOM 543 CG1 VAL A 35 -0.916 -10.160 1.615 1.00 0.00 C ATOM 544 CG2 VAL A 35 0.165 -9.940 -0.615 1.00 0.00 C ATOM 0 H VAL A 35 0.508 -9.580 3.309 1.00 0.00 H new ATOM 0 HA VAL A 35 2.320 -9.133 1.164 1.00 0.00 H new ATOM 0 HB VAL A 35 0.948 -11.064 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.520 -10.982 1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.745 -10.303 2.682 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.441 -9.218 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.445 -10.763 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.357 -8.998 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.118 -9.926 -1.145 1.00 0.00 H new ATOM 554 N TYR A 36 -0.305 -7.142 1.217 1.00 0.00 N ATOM 555 CA TYR A 36 -0.831 -5.913 0.601 1.00 0.00 C ATOM 556 C TYR A 36 -0.014 -4.713 1.033 1.00 0.00 C ATOM 557 O TYR A 36 0.034 -3.703 0.359 1.00 0.00 O ATOM 558 CB TYR A 36 -2.247 -5.763 1.073 1.00 0.00 C ATOM 559 CG TYR A 36 -3.005 -6.978 0.649 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.657 -7.009 -0.579 1.00 0.00 C ATOM 561 CD2 TYR A 36 -3.072 -8.064 1.509 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.393 -8.138 -0.947 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.799 -9.200 1.154 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.468 -9.237 -0.079 1.00 0.00 C ATOM 565 OH TYR A 36 -5.193 -10.355 -0.439 1.00 0.00 O ATOM 0 H TYR A 36 -0.866 -7.513 1.984 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.781 -5.974 -0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.278 -5.653 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.697 -4.865 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.595 -6.162 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.559 -8.030 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.903 -8.164 -1.898 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.847 -10.046 1.824 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.052 -10.079 -0.822 1.00 0.00 H new ATOM 575 N VAL A 37 0.633 -4.811 2.149 1.00 0.00 N ATOM 576 CA VAL A 37 1.447 -3.676 2.609 1.00 0.00 C ATOM 577 C VAL A 37 2.712 -3.633 1.748 1.00 0.00 C ATOM 578 O VAL A 37 2.963 -2.681 1.038 1.00 0.00 O ATOM 579 CB VAL A 37 1.771 -3.868 4.090 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.844 -2.864 4.518 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.493 -3.640 4.912 1.00 0.00 C ATOM 0 H VAL A 37 0.632 -5.628 2.760 1.00 0.00 H new ATOM 0 HA VAL A 37 0.918 -2.728 2.507 1.00 0.00 H new ATOM 0 HB VAL A 37 2.143 -4.879 4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.072 -3.004 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.746 -3.022 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.478 -1.850 4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.713 -3.775 5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.128 -2.627 4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.269 -4.356 4.606 1.00 0.00 H new ATOM 591 N GLN A 38 3.487 -4.677 1.757 1.00 0.00 N ATOM 592 CA GLN A 38 4.696 -4.696 0.893 1.00 0.00 C ATOM 593 C GLN A 38 4.223 -4.540 -0.555 1.00 0.00 C ATOM 594 O GLN A 38 4.729 -3.734 -1.307 1.00 0.00 O ATOM 595 CB GLN A 38 5.413 -6.046 1.067 1.00 0.00 C ATOM 596 CG GLN A 38 6.896 -5.936 0.698 1.00 0.00 C ATOM 597 CD GLN A 38 7.452 -7.332 0.415 1.00 0.00 C ATOM 598 OE1 GLN A 38 6.839 -8.377 0.897 1.00 0.00 O flip ATOM 599 NE2 GLN A 38 8.457 -7.472 -0.252 1.00 0.00 N flip ATOM 0 H GLN A 38 3.338 -5.514 2.321 1.00 0.00 H new ATOM 0 HA GLN A 38 5.386 -3.894 1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.316 -6.382 2.099 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.934 -6.799 0.441 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.018 -5.299 -0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.451 -5.469 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.937 -6.655 -0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.821 -8.407 -0.435 1.00 0.00 H new ATOM 608 N LEU A 39 3.230 -5.304 -0.928 1.00 0.00 N ATOM 609 CA LEU A 39 2.671 -5.208 -2.325 1.00 0.00 C ATOM 610 C LEU A 39 2.562 -3.731 -2.684 1.00 0.00 C ATOM 611 O LEU A 39 3.014 -3.290 -3.719 1.00 0.00 O ATOM 612 CB LEU A 39 1.263 -5.855 -2.397 1.00 0.00 C ATOM 613 CG LEU A 39 1.361 -7.239 -3.032 1.00 0.00 C ATOM 614 CD1 LEU A 39 0.027 -7.972 -2.874 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.653 -7.071 -4.518 1.00 0.00 C ATOM 0 H LEU A 39 2.776 -5.994 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 39 3.326 -5.734 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.837 -5.933 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.592 -5.224 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 39 2.152 -7.811 -2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.099 -8.960 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.208 -8.076 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.761 -7.403 -3.367 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.726 -8.052 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.848 -6.504 -4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.594 -6.536 -4.646 1.00 0.00 H new ATOM 627 N TYR A 40 1.966 -2.965 -1.819 1.00 0.00 N ATOM 628 CA TYR A 40 1.810 -1.521 -2.064 1.00 0.00 C ATOM 629 C TYR A 40 3.163 -0.879 -2.387 1.00 0.00 C ATOM 630 O TYR A 40 3.340 -0.281 -3.420 1.00 0.00 O ATOM 631 CB TYR A 40 1.191 -0.914 -0.797 1.00 0.00 C ATOM 632 CG TYR A 40 2.051 0.203 -0.226 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.281 1.370 -0.963 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.612 0.064 1.049 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.057 2.399 -0.422 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.389 1.093 1.585 1.00 0.00 C ATOM 637 CZ TYR A 40 3.604 2.262 0.854 1.00 0.00 C ATOM 638 OH TYR A 40 4.366 3.279 1.390 1.00 0.00 O ATOM 0 H TYR A 40 1.574 -3.292 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 40 1.165 -1.338 -2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.199 -0.527 -1.027 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.063 -1.694 -0.046 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.858 1.476 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.444 -0.839 1.618 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.233 3.300 -0.991 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.824 0.984 2.567 1.00 0.00 H new ATOM 0 HH TYR A 40 4.012 4.144 1.095 1.00 0.00 H new ATOM 648 N LEU A 41 4.116 -0.967 -1.510 1.00 0.00 N ATOM 649 CA LEU A 41 5.417 -0.318 -1.801 1.00 0.00 C ATOM 650 C LEU A 41 6.068 -0.983 -3.027 1.00 0.00 C ATOM 651 O LEU A 41 7.014 -0.476 -3.588 1.00 0.00 O ATOM 652 CB LEU A 41 6.325 -0.451 -0.568 1.00 0.00 C ATOM 653 CG LEU A 41 7.122 0.845 -0.340 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.246 1.891 0.373 1.00 0.00 C ATOM 655 CD2 LEU A 41 8.342 0.537 0.531 1.00 0.00 C ATOM 0 H LEU A 41 4.053 -1.453 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 41 5.266 0.738 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.722 -0.673 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.011 -1.287 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 41 7.438 1.242 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.822 2.803 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.373 2.113 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.922 1.498 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.911 1.452 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.013 0.136 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.972 -0.197 0.028 1.00 0.00 H new ATOM 667 N GLN A 42 5.570 -2.117 -3.448 1.00 0.00 N ATOM 668 CA GLN A 42 6.180 -2.815 -4.627 1.00 0.00 C ATOM 669 C GLN A 42 5.740 -2.162 -5.949 1.00 0.00 C ATOM 670 O GLN A 42 6.553 -1.667 -6.703 1.00 0.00 O ATOM 671 CB GLN A 42 5.751 -4.290 -4.617 1.00 0.00 C ATOM 672 CG GLN A 42 6.775 -5.149 -5.370 1.00 0.00 C ATOM 673 CD GLN A 42 6.160 -6.516 -5.678 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.227 -6.987 -6.797 1.00 0.00 O ATOM 675 NE2 GLN A 42 5.559 -7.178 -4.727 1.00 0.00 N ATOM 0 H GLN A 42 4.770 -2.591 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 42 7.265 -2.736 -4.553 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.657 -4.641 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.770 -4.393 -5.080 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.072 -4.654 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.677 -5.270 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.502 -6.783 -3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.146 -8.090 -4.923 1.00 0.00 H new ATOM 684 N HIS A 43 4.467 -2.166 -6.241 1.00 0.00 N ATOM 685 CA HIS A 43 3.983 -1.558 -7.517 1.00 0.00 C ATOM 686 C HIS A 43 3.683 -0.094 -7.281 1.00 0.00 C ATOM 687 O HIS A 43 3.793 0.734 -8.163 1.00 0.00 O ATOM 688 CB HIS A 43 2.685 -2.236 -7.947 1.00 0.00 C ATOM 689 CG HIS A 43 2.725 -3.676 -7.554 1.00 0.00 C ATOM 690 ND1 HIS A 43 3.120 -4.678 -8.424 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.429 -4.292 -6.373 1.00 0.00 C ATOM 692 CE1 HIS A 43 3.052 -5.841 -7.755 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.636 -5.662 -6.498 1.00 0.00 N ATOM 0 H HIS A 43 3.738 -2.565 -5.650 1.00 0.00 H new ATOM 0 HA HIS A 43 4.747 -1.681 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.832 -1.743 -7.480 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.554 -2.145 -9.025 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.409 -4.556 -9.394 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.087 -3.793 -5.479 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.303 -6.802 -8.180 1.00 0.00 H new ATOM 701 N LEU A 44 3.289 0.224 -6.091 1.00 0.00 N ATOM 702 CA LEU A 44 2.964 1.631 -5.782 1.00 0.00 C ATOM 703 C LEU A 44 4.218 2.323 -5.229 1.00 0.00 C ATOM 704 O LEU A 44 4.370 3.519 -5.353 1.00 0.00 O ATOM 705 CB LEU A 44 1.814 1.703 -4.763 1.00 0.00 C ATOM 706 CG LEU A 44 0.526 0.963 -5.241 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.654 1.876 -5.006 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.531 0.670 -6.739 1.00 0.00 C ATOM 0 H LEU A 44 3.178 -0.431 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 44 2.641 2.139 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.145 1.270 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.574 2.748 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 44 0.476 0.024 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.568 1.380 -5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.728 2.109 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.519 2.798 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.390 0.155 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.601 1.606 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.386 0.040 -6.984 1.00 0.00 H new ATOM 720 N THR A 45 5.141 1.584 -4.659 1.00 0.00 N ATOM 721 CA THR A 45 6.387 2.222 -4.155 1.00 0.00 C ATOM 722 C THR A 45 6.096 3.537 -3.450 1.00 0.00 C ATOM 723 O THR A 45 6.940 4.409 -3.393 1.00 0.00 O ATOM 724 CB THR A 45 7.282 2.514 -5.349 1.00 0.00 C ATOM 725 OG1 THR A 45 6.556 2.268 -6.546 1.00 0.00 O ATOM 726 CG2 THR A 45 8.503 1.603 -5.294 1.00 0.00 C ATOM 0 H THR A 45 5.081 0.575 -4.524 1.00 0.00 H new ATOM 0 HA THR A 45 6.861 1.545 -3.444 1.00 0.00 H new ATOM 0 HB THR A 45 7.605 3.555 -5.327 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.127 2.456 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.149 1.808 -6.148 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.053 1.787 -4.371 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.182 0.562 -5.324 1.00 0.00 H new ATOM 734 N ALA A 46 4.923 3.714 -2.929 1.00 0.00 N ATOM 735 CA ALA A 46 4.624 5.003 -2.264 1.00 0.00 C ATOM 736 C ALA A 46 5.043 6.116 -3.218 1.00 0.00 C ATOM 737 O ALA A 46 5.851 6.961 -2.897 1.00 0.00 O ATOM 738 CB ALA A 46 5.410 5.129 -0.957 1.00 0.00 C ATOM 0 H ALA A 46 4.165 3.031 -2.933 1.00 0.00 H new ATOM 0 HA ALA A 46 3.562 5.065 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.177 6.082 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.135 4.314 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.478 5.080 -1.169 1.00 0.00 H new ATOM 744 N ARG A 47 4.478 6.082 -4.389 1.00 0.00 N ATOM 745 CA ARG A 47 4.757 7.077 -5.468 1.00 0.00 C ATOM 746 C ARG A 47 5.536 8.294 -4.940 1.00 0.00 C ATOM 747 O ARG A 47 6.748 8.328 -5.017 1.00 0.00 O ATOM 748 CB ARG A 47 3.389 7.557 -5.985 1.00 0.00 C ATOM 749 CG ARG A 47 2.246 6.982 -5.107 1.00 0.00 C ATOM 750 CD ARG A 47 1.713 5.662 -5.702 1.00 0.00 C ATOM 751 NE ARG A 47 2.644 5.155 -6.747 1.00 0.00 N ATOM 752 CZ ARG A 47 2.195 4.402 -7.714 1.00 0.00 C ATOM 753 NH1 ARG A 47 1.171 3.619 -7.509 1.00 0.00 N ATOM 754 NH2 ARG A 47 2.769 4.432 -8.886 1.00 0.00 N ATOM 0 H ARG A 47 3.799 5.370 -4.658 1.00 0.00 H new ATOM 0 HA ARG A 47 5.363 6.612 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.351 8.646 -5.975 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.254 7.243 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.610 6.809 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.436 7.708 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.601 4.918 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.724 5.822 -6.132 1.00 0.00 H new ATOM 0 HE ARG A 47 3.634 5.396 -6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.722 3.596 -6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.820 3.030 -8.264 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.569 5.044 -9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.418 3.843 -9.641 1.00 0.00 H new ATOM 768 N ASN A 48 4.880 9.286 -4.402 1.00 0.00 N ATOM 769 CA ASN A 48 5.645 10.462 -3.883 1.00 0.00 C ATOM 770 C ASN A 48 5.756 10.355 -2.361 1.00 0.00 C ATOM 771 O ASN A 48 5.008 10.970 -1.629 1.00 0.00 O ATOM 772 CB ASN A 48 4.949 11.782 -4.262 1.00 0.00 C ATOM 773 CG ASN A 48 3.698 11.501 -5.074 1.00 0.00 C ATOM 774 OD1 ASN A 48 3.792 10.739 -6.118 1.00 0.00 O flip ATOM 775 ND2 ASN A 48 2.628 11.988 -4.764 1.00 0.00 N flip ATOM 0 H ASN A 48 3.866 9.337 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 48 6.639 10.461 -4.331 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.689 12.336 -3.360 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.631 12.409 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.560 12.587 -3.941 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.799 11.797 -5.327 1.00 0.00 H new