USER MOD reduce.3.24.130724 H: found=0, std=0, add=386, rem=0, adj=16 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+ -175:sc= 0.562! (180deg=-0.711!) USER MOD Set 1.2: A 31 GLN : amide:sc= -18.3! C(o=-18!,f=-36!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= -2.73! (180deg=-2.93!) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= -16.4! (180deg=-16.5!) USER MOD Single : A 17 SER OG : rot -80:sc= 1 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.04 F(o=-4!,f=-1) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.038 F(o=-1.3,f=-0.038) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 15:sc= -0.122 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.29 F(o=-3.7!,f=-1.3) USER MOD Single : A 40 TYR OH : rot 17:sc= -3.66! USER MOD Single : A 42 GLN :FLIP amide:sc= -0.792 F(o=-1.5!,f=-0.79) USER MOD Single : A 43 HIS : no HE2:sc= -9.51! C(o=-9.5!,f=-13!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.16! USER MOD Single : A 48 ASN :FLIP amide:sc= -6.83! C(o=-7.6!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 -2.750 9.862 -6.547 1.00 0.00 N ATOM 18 CA GLU A 2 -2.163 9.916 -5.178 1.00 0.00 C ATOM 19 C GLU A 2 -2.627 8.699 -4.376 1.00 0.00 C ATOM 20 O GLU A 2 -3.802 8.520 -4.123 1.00 0.00 O ATOM 21 CB GLU A 2 -2.622 11.195 -4.476 1.00 0.00 C ATOM 22 CG GLU A 2 -4.076 11.490 -4.851 1.00 0.00 C ATOM 23 CD GLU A 2 -4.692 12.427 -3.811 1.00 0.00 C ATOM 24 OE1 GLU A 2 -4.247 13.560 -3.726 1.00 0.00 O ATOM 25 OE2 GLU A 2 -5.596 11.996 -3.115 1.00 0.00 O ATOM 0 HA GLU A 2 -1.075 9.911 -5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.530 11.083 -3.396 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.984 12.030 -4.765 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -4.122 11.947 -5.840 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.645 10.562 -4.902 1.00 0.00 H new ATOM 32 N PHE A 3 -1.713 7.858 -3.975 1.00 0.00 N ATOM 33 CA PHE A 3 -2.097 6.654 -3.192 1.00 0.00 C ATOM 34 C PHE A 3 -1.324 6.659 -1.876 1.00 0.00 C ATOM 35 O PHE A 3 -0.307 7.302 -1.737 1.00 0.00 O ATOM 36 CB PHE A 3 -1.775 5.394 -4.029 1.00 0.00 C ATOM 37 CG PHE A 3 -1.279 4.258 -3.189 1.00 0.00 C ATOM 38 CD1 PHE A 3 -0.004 4.336 -2.661 1.00 0.00 C ATOM 39 CD2 PHE A 3 -2.056 3.110 -2.983 1.00 0.00 C ATOM 40 CE1 PHE A 3 0.511 3.285 -1.931 1.00 0.00 C ATOM 41 CE2 PHE A 3 -1.535 2.045 -2.258 1.00 0.00 C ATOM 42 CZ PHE A 3 -0.253 2.124 -1.731 1.00 0.00 C ATOM 0 H PHE A 3 -0.714 7.955 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 3 -3.163 6.656 -2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -2.670 5.080 -4.566 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -1.024 5.642 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.591 5.223 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -3.056 3.053 -3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.504 3.355 -1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.128 1.155 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.155 1.296 -1.170 1.00 0.00 H new ATOM 52 N LEU A 4 -1.824 5.942 -0.920 1.00 0.00 N ATOM 53 CA LEU A 4 -1.166 5.863 0.421 1.00 0.00 C ATOM 54 C LEU A 4 0.332 5.602 0.256 1.00 0.00 C ATOM 55 O LEU A 4 0.781 4.475 0.305 1.00 0.00 O ATOM 56 CB LEU A 4 -1.793 4.704 1.199 1.00 0.00 C ATOM 57 CG LEU A 4 -2.130 3.592 0.220 1.00 0.00 C ATOM 58 CD1 LEU A 4 -1.731 2.264 0.831 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.627 3.595 -0.044 1.00 0.00 C ATOM 0 H LEU A 4 -2.679 5.392 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.305 6.804 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.102 4.342 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.692 5.038 1.717 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.594 3.745 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.968 1.458 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.660 2.264 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.277 2.113 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.874 2.799 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.162 3.433 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.920 4.556 -0.467 1.00 0.00 H new ATOM 71 N GLU A 5 1.114 6.628 0.076 1.00 0.00 N ATOM 72 CA GLU A 5 2.580 6.422 -0.080 1.00 0.00 C ATOM 73 C GLU A 5 3.157 5.915 1.244 1.00 0.00 C ATOM 74 O GLU A 5 4.290 5.485 1.321 1.00 0.00 O ATOM 75 CB GLU A 5 3.242 7.740 -0.476 1.00 0.00 C ATOM 76 CG GLU A 5 2.622 8.253 -1.782 1.00 0.00 C ATOM 77 CD GLU A 5 1.435 9.163 -1.462 1.00 0.00 C ATOM 78 OE1 GLU A 5 1.356 9.626 -0.336 1.00 0.00 O ATOM 79 OE2 GLU A 5 0.625 9.382 -2.348 1.00 0.00 O ATOM 0 H GLU A 5 0.803 7.598 0.030 1.00 0.00 H new ATOM 0 HA GLU A 5 2.772 5.686 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.110 8.478 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.315 7.596 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.367 8.800 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.295 7.414 -2.396 1.00 0.00 H new ATOM 86 N ASP A 6 2.368 5.950 2.280 1.00 0.00 N ATOM 87 CA ASP A 6 2.825 5.461 3.607 1.00 0.00 C ATOM 88 C ASP A 6 1.598 4.947 4.350 1.00 0.00 C ATOM 89 O ASP A 6 1.000 5.666 5.125 1.00 0.00 O ATOM 90 CB ASP A 6 3.463 6.610 4.391 1.00 0.00 C ATOM 91 CG ASP A 6 4.965 6.653 4.101 1.00 0.00 C ATOM 92 OD1 ASP A 6 5.343 7.293 3.134 1.00 0.00 O ATOM 93 OD2 ASP A 6 5.711 6.046 4.852 1.00 0.00 O ATOM 0 H ASP A 6 1.411 6.303 2.262 1.00 0.00 H new ATOM 0 HA ASP A 6 3.566 4.670 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.000 7.556 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.292 6.475 5.459 1.00 0.00 H new ATOM 98 N PRO A 7 1.236 3.722 4.062 1.00 0.00 N ATOM 99 CA PRO A 7 0.049 3.086 4.662 1.00 0.00 C ATOM 100 C PRO A 7 0.333 2.594 6.084 1.00 0.00 C ATOM 101 O PRO A 7 0.249 1.415 6.366 1.00 0.00 O ATOM 102 CB PRO A 7 -0.229 1.896 3.744 1.00 0.00 C ATOM 103 CG PRO A 7 1.098 1.581 3.028 1.00 0.00 C ATOM 104 CD PRO A 7 1.972 2.855 3.112 1.00 0.00 C ATOM 0 HA PRO A 7 -0.789 3.778 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.575 1.036 4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.012 2.135 3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.600 0.737 3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.919 1.304 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.976 2.629 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.081 3.331 2.137 1.00 0.00 H new ATOM 112 N SER A 8 0.657 3.476 6.983 1.00 0.00 N ATOM 113 CA SER A 8 0.928 3.036 8.377 1.00 0.00 C ATOM 114 C SER A 8 -0.221 3.492 9.283 1.00 0.00 C ATOM 115 O SER A 8 -0.105 3.499 10.492 1.00 0.00 O ATOM 116 CB SER A 8 2.239 3.657 8.865 1.00 0.00 C ATOM 117 OG SER A 8 2.833 2.808 9.835 1.00 0.00 O ATOM 0 H SER A 8 0.746 4.478 6.815 1.00 0.00 H new ATOM 0 HA SER A 8 1.010 1.950 8.407 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.920 3.801 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.050 4.641 9.294 1.00 0.00 H new ATOM 0 HG SER A 8 3.673 3.205 10.146 1.00 0.00 H new ATOM 123 N VAL A 9 -1.329 3.880 8.706 1.00 0.00 N ATOM 124 CA VAL A 9 -2.477 4.342 9.538 1.00 0.00 C ATOM 125 C VAL A 9 -3.772 3.644 9.101 1.00 0.00 C ATOM 126 O VAL A 9 -4.816 3.837 9.693 1.00 0.00 O ATOM 127 CB VAL A 9 -2.640 5.854 9.381 1.00 0.00 C ATOM 128 CG1 VAL A 9 -1.281 6.534 9.557 1.00 0.00 C ATOM 129 CG2 VAL A 9 -3.186 6.159 7.988 1.00 0.00 C ATOM 0 H VAL A 9 -1.487 3.897 7.698 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.278 4.095 10.581 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.332 6.228 10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.396 7.612 9.445 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.889 6.312 10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.588 6.163 8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.304 7.236 7.871 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.491 5.786 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.153 5.672 7.862 1.00 0.00 H new ATOM 139 N LEU A 10 -3.721 2.832 8.078 1.00 0.00 N ATOM 140 CA LEU A 10 -4.961 2.132 7.628 1.00 0.00 C ATOM 141 C LEU A 10 -4.999 0.743 8.225 1.00 0.00 C ATOM 142 O LEU A 10 -5.734 0.496 9.158 1.00 0.00 O ATOM 143 CB LEU A 10 -5.033 2.039 6.076 1.00 0.00 C ATOM 144 CG LEU A 10 -3.694 2.493 5.451 1.00 0.00 C ATOM 145 CD1 LEU A 10 -3.698 2.265 3.933 1.00 0.00 C ATOM 146 CD2 LEU A 10 -3.484 3.985 5.723 1.00 0.00 C ATOM 0 H LEU A 10 -2.881 2.624 7.538 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.821 2.709 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.254 1.015 5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.846 2.663 5.704 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.890 1.908 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.746 2.591 3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.842 1.205 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.509 2.837 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.540 4.306 5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.302 4.554 5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.460 4.159 6.799 1.00 0.00 H new ATOM 158 N THR A 11 -4.251 -0.176 7.675 1.00 0.00 N ATOM 159 CA THR A 11 -4.282 -1.574 8.154 1.00 0.00 C ATOM 160 C THR A 11 -3.858 -2.444 6.990 1.00 0.00 C ATOM 161 O THR A 11 -3.537 -1.952 5.931 1.00 0.00 O ATOM 162 CB THR A 11 -5.722 -1.923 8.506 1.00 0.00 C ATOM 163 OG1 THR A 11 -5.897 -3.332 8.548 1.00 0.00 O ATOM 164 CG2 THR A 11 -6.640 -1.314 7.435 1.00 0.00 C ATOM 0 H THR A 11 -3.610 -0.006 6.900 1.00 0.00 H new ATOM 0 HA THR A 11 -3.635 -1.717 9.019 1.00 0.00 H new ATOM 0 HB THR A 11 -5.968 -1.522 9.489 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.827 -3.539 8.777 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.678 -1.552 7.667 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.511 -0.232 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.383 -1.726 6.459 1.00 0.00 H new ATOM 172 N LYS A 12 -3.876 -3.721 7.149 1.00 0.00 N ATOM 173 CA LYS A 12 -3.496 -4.582 6.010 1.00 0.00 C ATOM 174 C LYS A 12 -4.727 -4.798 5.115 1.00 0.00 C ATOM 175 O LYS A 12 -4.636 -5.401 4.067 1.00 0.00 O ATOM 176 CB LYS A 12 -2.995 -5.935 6.536 1.00 0.00 C ATOM 177 CG LYS A 12 -1.564 -6.205 6.047 1.00 0.00 C ATOM 178 CD LYS A 12 -0.606 -5.838 7.181 1.00 0.00 C ATOM 179 CE LYS A 12 -0.751 -6.850 8.321 1.00 0.00 C ATOM 180 NZ LYS A 12 0.307 -7.893 8.204 1.00 0.00 N ATOM 0 H LYS A 12 -4.134 -4.208 8.008 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.702 -4.106 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.020 -5.940 7.626 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.658 -6.732 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.446 -7.253 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.347 -5.615 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.421 -5.831 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.823 -4.833 7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.671 -6.343 9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.737 -7.313 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.270 -8.519 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.150 -8.452 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.240 -7.437 8.156 1.00 0.00 H new ATOM 194 N ASP A 13 -5.879 -4.319 5.520 1.00 0.00 N ATOM 195 CA ASP A 13 -7.108 -4.539 4.692 1.00 0.00 C ATOM 196 C ASP A 13 -7.512 -3.295 3.876 1.00 0.00 C ATOM 197 O ASP A 13 -8.203 -3.410 2.884 1.00 0.00 O ATOM 198 CB ASP A 13 -8.266 -4.916 5.620 1.00 0.00 C ATOM 199 CG ASP A 13 -9.186 -5.913 4.912 1.00 0.00 C ATOM 200 OD1 ASP A 13 -9.869 -5.505 3.988 1.00 0.00 O ATOM 201 OD2 ASP A 13 -9.192 -7.067 5.309 1.00 0.00 O ATOM 0 H ASP A 13 -6.022 -3.790 6.380 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.885 -5.336 3.983 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.880 -5.352 6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.826 -4.024 5.900 1.00 0.00 H new ATOM 206 N LYS A 14 -7.116 -2.116 4.265 1.00 0.00 N ATOM 207 CA LYS A 14 -7.510 -0.910 3.485 1.00 0.00 C ATOM 208 C LYS A 14 -6.517 -0.721 2.342 1.00 0.00 C ATOM 209 O LYS A 14 -6.886 -0.656 1.185 1.00 0.00 O ATOM 210 CB LYS A 14 -7.500 0.268 4.433 1.00 0.00 C ATOM 211 CG LYS A 14 -8.300 1.413 3.836 1.00 0.00 C ATOM 212 CD LYS A 14 -7.646 1.883 2.535 1.00 0.00 C ATOM 213 CE LYS A 14 -6.167 2.144 2.779 1.00 0.00 C ATOM 214 NZ LYS A 14 -5.430 2.287 1.510 1.00 0.00 N ATOM 0 H LYS A 14 -6.539 -1.935 5.086 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.505 -1.011 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.925 -0.023 5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.475 0.587 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.323 1.091 3.643 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.354 2.239 4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.770 1.128 1.759 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.133 2.790 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.049 3.050 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.742 1.324 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.409 2.209 1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.723 1.537 0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.638 3.216 1.091 1.00 0.00 H new ATOM 228 N LEU A 15 -5.258 -0.664 2.655 1.00 0.00 N ATOM 229 CA LEU A 15 -4.221 -0.513 1.586 1.00 0.00 C ATOM 230 C LEU A 15 -4.569 -1.420 0.401 1.00 0.00 C ATOM 231 O LEU A 15 -4.164 -1.175 -0.718 1.00 0.00 O ATOM 232 CB LEU A 15 -2.826 -0.915 2.102 1.00 0.00 C ATOM 233 CG LEU A 15 -2.911 -1.537 3.496 1.00 0.00 C ATOM 234 CD1 LEU A 15 -3.848 -2.734 3.478 1.00 0.00 C ATOM 235 CD2 LEU A 15 -1.527 -2.000 3.924 1.00 0.00 C ATOM 0 H LEU A 15 -4.894 -0.715 3.606 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.205 0.534 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.370 -1.625 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.179 -0.038 2.131 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.291 -0.792 4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.901 -3.169 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.843 -2.413 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.473 -3.479 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.583 -2.444 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.156 -2.741 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.849 -1.147 3.946 1.00 0.00 H new ATOM 247 N LYS A 16 -5.298 -2.478 0.640 1.00 0.00 N ATOM 248 CA LYS A 16 -5.649 -3.411 -0.449 1.00 0.00 C ATOM 249 C LYS A 16 -6.873 -2.885 -1.199 1.00 0.00 C ATOM 250 O LYS A 16 -6.874 -2.740 -2.405 1.00 0.00 O ATOM 251 CB LYS A 16 -5.923 -4.781 0.193 1.00 0.00 C ATOM 252 CG LYS A 16 -7.422 -5.044 0.347 1.00 0.00 C ATOM 253 CD LYS A 16 -7.651 -6.480 0.792 1.00 0.00 C ATOM 254 CE LYS A 16 -8.338 -6.447 2.148 1.00 0.00 C ATOM 255 NZ LYS A 16 -7.964 -7.658 2.925 1.00 0.00 N ATOM 0 H LYS A 16 -5.665 -2.731 1.557 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.840 -3.504 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.477 -5.565 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.443 -4.827 1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.848 -4.355 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.931 -4.861 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.267 -7.011 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.703 -7.014 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.047 -5.549 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.419 -6.405 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.499 -7.677 3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.185 -8.509 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.945 -7.636 3.133 1.00 0.00 H new ATOM 269 N SER A 17 -7.906 -2.588 -0.472 1.00 0.00 N ATOM 270 CA SER A 17 -9.149 -2.051 -1.089 1.00 0.00 C ATOM 271 C SER A 17 -8.781 -1.025 -2.145 1.00 0.00 C ATOM 272 O SER A 17 -9.494 -0.799 -3.101 1.00 0.00 O ATOM 273 CB SER A 17 -9.966 -1.378 -0.003 1.00 0.00 C ATOM 274 OG SER A 17 -10.893 -0.474 -0.589 1.00 0.00 O ATOM 0 H SER A 17 -7.945 -2.695 0.542 1.00 0.00 H new ATOM 0 HA SER A 17 -9.721 -2.856 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.497 -2.128 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.308 -0.845 0.683 1.00 0.00 H new ATOM 0 HG SER A 17 -10.436 0.363 -0.815 1.00 0.00 H new ATOM 280 N GLU A 18 -7.666 -0.405 -1.959 1.00 0.00 N ATOM 281 CA GLU A 18 -7.204 0.626 -2.923 1.00 0.00 C ATOM 282 C GLU A 18 -6.347 -0.043 -3.996 1.00 0.00 C ATOM 283 O GLU A 18 -6.643 0.058 -5.168 1.00 0.00 O ATOM 284 CB GLU A 18 -6.400 1.678 -2.172 1.00 0.00 C ATOM 285 CG GLU A 18 -7.085 1.942 -0.821 1.00 0.00 C ATOM 286 CD GLU A 18 -8.523 2.406 -1.058 1.00 0.00 C ATOM 287 OE1 GLU A 18 -9.318 1.600 -1.511 1.00 0.00 O ATOM 288 OE2 GLU A 18 -8.803 3.561 -0.784 1.00 0.00 O ATOM 0 H GLU A 18 -7.040 -0.566 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.055 1.108 -3.404 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.377 1.334 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.343 2.598 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.080 1.036 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.534 2.700 -0.264 1.00 0.00 H new ATOM 295 N LEU A 19 -5.292 -0.727 -3.607 1.00 0.00 N ATOM 296 CA LEU A 19 -4.425 -1.420 -4.610 1.00 0.00 C ATOM 297 C LEU A 19 -5.289 -1.930 -5.765 1.00 0.00 C ATOM 298 O LEU A 19 -4.883 -1.932 -6.911 1.00 0.00 O ATOM 299 CB LEU A 19 -3.729 -2.610 -3.943 1.00 0.00 C ATOM 300 CG LEU A 19 -2.415 -2.148 -3.336 1.00 0.00 C ATOM 301 CD1 LEU A 19 -2.195 -2.837 -1.988 1.00 0.00 C ATOM 302 CD2 LEU A 19 -1.316 -2.572 -4.278 1.00 0.00 C ATOM 0 H LEU A 19 -4.997 -0.833 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.680 -0.721 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.370 -3.035 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.548 -3.397 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.423 -1.068 -3.187 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.251 -2.502 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.012 -2.584 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.165 -3.917 -2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.352 -2.258 -3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.328 -3.657 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.473 -2.108 -5.252 1.00 0.00 H new ATOM 314 N VAL A 20 -6.493 -2.338 -5.467 1.00 0.00 N ATOM 315 CA VAL A 20 -7.406 -2.823 -6.536 1.00 0.00 C ATOM 316 C VAL A 20 -7.652 -1.676 -7.519 1.00 0.00 C ATOM 317 O VAL A 20 -7.362 -1.772 -8.695 1.00 0.00 O ATOM 318 CB VAL A 20 -8.733 -3.263 -5.895 1.00 0.00 C ATOM 319 CG1 VAL A 20 -9.855 -3.245 -6.938 1.00 0.00 C ATOM 320 CG2 VAL A 20 -8.578 -4.678 -5.348 1.00 0.00 C ATOM 0 H VAL A 20 -6.883 -2.355 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.967 -3.669 -7.065 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.986 -2.575 -5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.789 -3.558 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.967 -2.236 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.607 -3.928 -7.751 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.515 -4.996 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.321 -5.356 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.786 -4.694 -4.599 1.00 0.00 H new ATOM 330 N ALA A 21 -8.184 -0.592 -7.033 1.00 0.00 N ATOM 331 CA ALA A 21 -8.459 0.579 -7.908 1.00 0.00 C ATOM 332 C ALA A 21 -7.152 1.128 -8.483 1.00 0.00 C ATOM 333 O ALA A 21 -7.155 1.930 -9.396 1.00 0.00 O ATOM 334 CB ALA A 21 -9.117 1.673 -7.068 1.00 0.00 C ATOM 0 H ALA A 21 -8.443 -0.466 -6.055 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.111 0.271 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.325 2.539 -7.697 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.050 1.297 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.446 1.964 -6.260 1.00 0.00 H new ATOM 340 N ASN A 22 -6.034 0.736 -7.938 1.00 0.00 N ATOM 341 CA ASN A 22 -4.740 1.275 -8.440 1.00 0.00 C ATOM 342 C ASN A 22 -4.022 0.248 -9.325 1.00 0.00 C ATOM 343 O ASN A 22 -2.815 0.118 -9.291 1.00 0.00 O ATOM 344 CB ASN A 22 -3.878 1.650 -7.230 1.00 0.00 C ATOM 345 CG ASN A 22 -4.729 2.534 -6.306 1.00 0.00 C ATOM 346 OD1 ASN A 22 -4.984 2.159 -5.076 1.00 0.00 O flip ATOM 347 ND2 ASN A 22 -5.173 3.589 -6.713 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.961 0.069 -7.170 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.921 2.156 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.547 0.755 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.982 2.182 -7.549 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.980 3.889 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.739 4.175 -6.099 1.00 0.00 H new ATOM 354 N ASN A 23 -4.758 -0.457 -10.143 1.00 0.00 N ATOM 355 CA ASN A 23 -4.131 -1.450 -11.065 1.00 0.00 C ATOM 356 C ASN A 23 -3.417 -2.559 -10.286 1.00 0.00 C ATOM 357 O ASN A 23 -2.293 -2.909 -10.587 1.00 0.00 O ATOM 358 CB ASN A 23 -3.118 -0.734 -11.961 1.00 0.00 C ATOM 359 CG ASN A 23 -3.102 -1.394 -13.341 1.00 0.00 C ATOM 360 OD1 ASN A 23 -3.466 -2.642 -13.459 1.00 0.00 O flip ATOM 361 ND2 ASN A 23 -2.756 -0.767 -14.323 1.00 0.00 N flip ATOM 0 H ASN A 23 -5.773 -0.387 -10.213 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.918 -1.905 -11.666 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.379 0.320 -12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.125 -0.778 -11.513 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.472 0.208 -14.231 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.750 -1.216 -15.239 1.00 0.00 H new ATOM 368 N VAL A 24 -4.054 -3.128 -9.302 1.00 0.00 N ATOM 369 CA VAL A 24 -3.402 -4.221 -8.532 1.00 0.00 C ATOM 370 C VAL A 24 -4.474 -5.208 -8.061 1.00 0.00 C ATOM 371 O VAL A 24 -5.267 -4.904 -7.193 1.00 0.00 O ATOM 372 CB VAL A 24 -2.679 -3.628 -7.325 1.00 0.00 C ATOM 373 CG1 VAL A 24 -1.676 -4.650 -6.781 1.00 0.00 C ATOM 374 CG2 VAL A 24 -1.932 -2.360 -7.747 1.00 0.00 C ATOM 0 H VAL A 24 -4.997 -2.884 -8.998 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.680 -4.741 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.407 -3.381 -6.552 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.159 -4.229 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.205 -5.554 -6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.950 -4.895 -7.556 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.416 -1.938 -6.885 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.204 -2.607 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.643 -1.632 -8.137 1.00 0.00 H new ATOM 384 N THR A 25 -4.513 -6.386 -8.629 1.00 0.00 N ATOM 385 CA THR A 25 -5.541 -7.374 -8.210 1.00 0.00 C ATOM 386 C THR A 25 -5.226 -7.874 -6.804 1.00 0.00 C ATOM 387 O THR A 25 -4.129 -7.712 -6.305 1.00 0.00 O ATOM 388 CB THR A 25 -5.551 -8.559 -9.170 1.00 0.00 C ATOM 389 OG1 THR A 25 -4.477 -8.441 -10.093 1.00 0.00 O ATOM 390 CG2 THR A 25 -6.879 -8.597 -9.927 1.00 0.00 C ATOM 0 H THR A 25 -3.878 -6.702 -9.362 1.00 0.00 H new ATOM 0 HA THR A 25 -6.518 -6.892 -8.221 1.00 0.00 H new ATOM 0 HB THR A 25 -5.434 -9.481 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.487 -9.205 -10.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.883 -9.445 -10.612 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.700 -8.700 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.002 -7.673 -10.492 1.00 0.00 H new ATOM 398 N LEU A 26 -6.186 -8.474 -6.156 1.00 0.00 N ATOM 399 CA LEU A 26 -5.956 -8.982 -4.771 1.00 0.00 C ATOM 400 C LEU A 26 -6.072 -10.513 -4.781 1.00 0.00 C ATOM 401 O LEU A 26 -7.164 -11.043 -4.847 1.00 0.00 O ATOM 402 CB LEU A 26 -7.016 -8.409 -3.808 1.00 0.00 C ATOM 403 CG LEU A 26 -7.120 -6.874 -3.846 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.946 -6.290 -2.444 1.00 0.00 C ATOM 405 CD2 LEU A 26 -6.092 -6.232 -4.773 1.00 0.00 C ATOM 0 H LEU A 26 -7.123 -8.636 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.966 -8.674 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.988 -8.837 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.779 -8.723 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.113 -6.648 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.022 -5.204 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.724 -6.681 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.967 -6.568 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.215 -5.149 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.088 -6.488 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.238 -6.600 -5.789 1.00 0.00 H new ATOM 417 N PRO A 27 -4.946 -11.181 -4.746 1.00 0.00 N ATOM 418 CA PRO A 27 -4.882 -12.643 -4.785 1.00 0.00 C ATOM 419 C PRO A 27 -4.886 -13.240 -3.368 1.00 0.00 C ATOM 420 O PRO A 27 -3.881 -13.742 -2.902 1.00 0.00 O ATOM 421 CB PRO A 27 -3.531 -12.893 -5.465 1.00 0.00 C ATOM 422 CG PRO A 27 -2.676 -11.621 -5.241 1.00 0.00 C ATOM 423 CD PRO A 27 -3.618 -10.550 -4.681 1.00 0.00 C ATOM 0 HA PRO A 27 -5.730 -13.097 -5.297 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.040 -13.769 -5.040 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.664 -13.087 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.860 -11.820 -4.546 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -2.224 -11.289 -6.176 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.353 -10.280 -3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.580 -9.635 -5.273 1.00 0.00 H new ATOM 431 N ALA A 28 -5.998 -13.206 -2.681 1.00 0.00 N ATOM 432 CA ALA A 28 -6.034 -13.792 -1.304 1.00 0.00 C ATOM 433 C ALA A 28 -7.387 -13.517 -0.645 1.00 0.00 C ATOM 434 O ALA A 28 -8.202 -14.404 -0.484 1.00 0.00 O ATOM 435 CB ALA A 28 -4.922 -13.175 -0.449 1.00 0.00 C ATOM 0 H ALA A 28 -6.876 -12.802 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.885 -14.869 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.952 -13.605 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.954 -13.384 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.068 -12.097 -0.386 1.00 0.00 H new ATOM 441 N GLY A 29 -7.628 -12.299 -0.245 1.00 0.00 N ATOM 442 CA GLY A 29 -8.919 -11.971 0.422 1.00 0.00 C ATOM 443 C GLY A 29 -8.622 -11.317 1.771 1.00 0.00 C ATOM 444 O GLY A 29 -8.841 -10.136 1.960 1.00 0.00 O ATOM 0 H GLY A 29 -6.985 -11.515 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.507 -11.298 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.512 -12.875 0.563 1.00 0.00 H new ATOM 448 N GLU A 30 -8.108 -12.069 2.707 1.00 0.00 N ATOM 449 CA GLU A 30 -7.779 -11.482 4.037 1.00 0.00 C ATOM 450 C GLU A 30 -6.432 -10.762 3.931 1.00 0.00 C ATOM 451 O GLU A 30 -6.384 -9.589 3.689 1.00 0.00 O ATOM 452 CB GLU A 30 -7.698 -12.594 5.087 1.00 0.00 C ATOM 453 CG GLU A 30 -8.763 -12.358 6.160 1.00 0.00 C ATOM 454 CD GLU A 30 -10.136 -12.752 5.611 1.00 0.00 C ATOM 455 OE1 GLU A 30 -10.311 -13.915 5.286 1.00 0.00 O ATOM 456 OE2 GLU A 30 -10.989 -11.884 5.526 1.00 0.00 O ATOM 0 H GLU A 30 -7.902 -13.063 2.608 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.553 -10.776 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.849 -13.565 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.707 -12.610 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.534 -12.944 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.766 -11.310 6.460 1.00 0.00 H new ATOM 463 N GLN A 31 -5.351 -11.480 4.068 1.00 0.00 N ATOM 464 CA GLN A 31 -3.978 -10.887 3.941 1.00 0.00 C ATOM 465 C GLN A 31 -2.998 -12.046 4.007 1.00 0.00 C ATOM 466 O GLN A 31 -2.940 -12.792 4.964 1.00 0.00 O ATOM 467 CB GLN A 31 -3.658 -9.859 5.078 1.00 0.00 C ATOM 468 CG GLN A 31 -3.601 -8.406 4.597 1.00 0.00 C ATOM 469 CD GLN A 31 -5.009 -7.802 4.674 1.00 0.00 C ATOM 470 OE1 GLN A 31 -5.602 -7.457 3.673 1.00 0.00 O ATOM 471 NE2 GLN A 31 -5.580 -7.670 5.840 1.00 0.00 N ATOM 0 H GLN A 31 -5.357 -12.480 4.268 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.906 -10.336 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.416 -9.945 5.857 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.702 -10.120 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.910 -7.831 5.214 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.227 -8.362 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.087 -7.958 6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.520 -7.279 5.906 1.00 0.00 H new ATOM 480 N ARG A 32 -2.249 -12.197 2.969 1.00 0.00 N ATOM 481 CA ARG A 32 -1.274 -13.274 2.868 1.00 0.00 C ATOM 482 C ARG A 32 -0.257 -13.145 4.009 1.00 0.00 C ATOM 483 O ARG A 32 -0.005 -14.081 4.742 1.00 0.00 O ATOM 484 CB ARG A 32 -0.624 -13.072 1.498 1.00 0.00 C ATOM 485 CG ARG A 32 -1.429 -13.763 0.384 1.00 0.00 C ATOM 486 CD ARG A 32 -1.963 -12.702 -0.601 1.00 0.00 C ATOM 487 NE ARG A 32 -2.752 -11.675 0.128 1.00 0.00 N ATOM 488 CZ ARG A 32 -2.564 -10.413 -0.144 1.00 0.00 C ATOM 489 NH1 ARG A 32 -2.422 -10.034 -1.383 1.00 0.00 N ATOM 490 NH2 ARG A 32 -2.504 -9.533 0.817 1.00 0.00 N ATOM 0 H ARG A 32 -2.281 -11.585 2.154 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.710 -14.269 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.547 -12.006 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.391 -13.468 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.799 -14.479 -0.143 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.258 -14.324 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.131 -12.229 -1.123 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.585 -13.179 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.434 -11.954 0.834 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.458 -10.723 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.275 -9.049 -1.601 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.604 -9.830 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.357 -8.548 0.598 1.00 0.00 H new ATOM 504 N LYS A 33 0.311 -11.986 4.169 1.00 0.00 N ATOM 505 CA LYS A 33 1.299 -11.761 5.262 1.00 0.00 C ATOM 506 C LYS A 33 1.839 -10.345 5.104 1.00 0.00 C ATOM 507 O LYS A 33 2.857 -10.141 4.472 1.00 0.00 O ATOM 508 CB LYS A 33 2.444 -12.770 5.143 1.00 0.00 C ATOM 509 CG LYS A 33 3.023 -13.050 6.531 1.00 0.00 C ATOM 510 CD LYS A 33 1.991 -13.803 7.373 1.00 0.00 C ATOM 511 CE LYS A 33 2.518 -15.202 7.695 1.00 0.00 C ATOM 512 NZ LYS A 33 2.664 -15.349 9.171 1.00 0.00 N ATOM 0 H LYS A 33 0.132 -11.172 3.581 1.00 0.00 H new ATOM 0 HA LYS A 33 0.830 -11.888 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.082 -13.695 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.220 -12.379 4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.936 -13.639 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.293 -12.114 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.790 -13.257 8.295 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.047 -13.874 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.834 -15.958 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.479 -15.362 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.022 -16.300 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.333 -14.636 9.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.739 -15.213 9.627 1.00 0.00 H new ATOM 526 N ASP A 34 1.162 -9.352 5.619 1.00 0.00 N ATOM 527 CA ASP A 34 1.664 -7.965 5.411 1.00 0.00 C ATOM 528 C ASP A 34 1.920 -7.827 3.916 1.00 0.00 C ATOM 529 O ASP A 34 2.914 -7.277 3.486 1.00 0.00 O ATOM 530 CB ASP A 34 2.977 -7.763 6.184 1.00 0.00 C ATOM 531 CG ASP A 34 2.972 -6.382 6.844 1.00 0.00 C ATOM 532 OD1 ASP A 34 2.878 -5.403 6.123 1.00 0.00 O ATOM 533 OD2 ASP A 34 3.063 -6.328 8.059 1.00 0.00 O ATOM 0 H ASP A 34 0.303 -9.438 6.162 1.00 0.00 H new ATOM 0 HA ASP A 34 0.948 -7.224 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.089 -8.539 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.827 -7.852 5.508 1.00 0.00 H new ATOM 538 N VAL A 35 1.037 -8.376 3.123 1.00 0.00 N ATOM 539 CA VAL A 35 1.229 -8.338 1.656 1.00 0.00 C ATOM 540 C VAL A 35 0.630 -7.066 1.060 1.00 0.00 C ATOM 541 O VAL A 35 1.345 -6.273 0.510 1.00 0.00 O ATOM 542 CB VAL A 35 0.635 -9.604 1.038 1.00 0.00 C ATOM 543 CG1 VAL A 35 0.612 -9.473 -0.477 1.00 0.00 C ATOM 544 CG2 VAL A 35 1.527 -10.770 1.472 1.00 0.00 C ATOM 0 H VAL A 35 0.190 -8.849 3.437 1.00 0.00 H new ATOM 0 HA VAL A 35 2.294 -8.314 1.426 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.391 -9.768 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.188 -10.377 -0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.003 -8.614 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.628 -9.334 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.141 -11.699 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.543 -10.605 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.534 -10.838 2.560 1.00 0.00 H new ATOM 554 N TYR A 36 -0.643 -6.810 1.175 1.00 0.00 N ATOM 555 CA TYR A 36 -1.154 -5.545 0.609 1.00 0.00 C ATOM 556 C TYR A 36 -0.251 -4.416 1.088 1.00 0.00 C ATOM 557 O TYR A 36 -0.136 -3.380 0.464 1.00 0.00 O ATOM 558 CB TYR A 36 -2.567 -5.326 1.098 1.00 0.00 C ATOM 559 CG TYR A 36 -3.399 -6.488 0.678 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.481 -6.848 -0.664 1.00 0.00 C ATOM 561 CD2 TYR A 36 -4.064 -7.217 1.643 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.248 -7.949 -1.039 1.00 0.00 C ATOM 563 CE2 TYR A 36 -4.832 -8.325 1.284 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.928 -8.694 -0.064 1.00 0.00 C ATOM 565 OH TYR A 36 -5.684 -9.788 -0.431 1.00 0.00 O ATOM 0 H TYR A 36 -1.333 -7.410 1.627 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.158 -5.577 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.580 -5.223 2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.972 -4.402 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.952 -6.276 -1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.989 -6.928 2.681 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.319 -8.229 -2.080 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.350 -8.895 2.041 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.456 -10.050 -1.347 1.00 0.00 H new ATOM 575 N VAL A 37 0.422 -4.634 2.186 1.00 0.00 N ATOM 576 CA VAL A 37 1.348 -3.611 2.701 1.00 0.00 C ATOM 577 C VAL A 37 2.623 -3.659 1.844 1.00 0.00 C ATOM 578 O VAL A 37 2.969 -2.714 1.164 1.00 0.00 O ATOM 579 CB VAL A 37 1.666 -3.915 4.170 1.00 0.00 C ATOM 580 CG1 VAL A 37 2.802 -3.007 4.648 1.00 0.00 C ATOM 581 CG2 VAL A 37 0.417 -3.658 5.024 1.00 0.00 C ATOM 0 H VAL A 37 0.363 -5.485 2.745 1.00 0.00 H new ATOM 0 HA VAL A 37 0.908 -2.615 2.646 1.00 0.00 H new ATOM 0 HB VAL A 37 1.969 -4.957 4.267 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.027 -3.224 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.690 -3.185 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.499 -1.964 4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.640 -3.873 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.117 -2.615 4.925 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.394 -4.303 4.686 1.00 0.00 H new ATOM 591 N GLN A 38 3.305 -4.771 1.827 1.00 0.00 N ATOM 592 CA GLN A 38 4.522 -4.867 0.970 1.00 0.00 C ATOM 593 C GLN A 38 4.084 -4.585 -0.469 1.00 0.00 C ATOM 594 O GLN A 38 4.455 -3.587 -1.052 1.00 0.00 O ATOM 595 CB GLN A 38 5.119 -6.276 1.077 1.00 0.00 C ATOM 596 CG GLN A 38 6.512 -6.218 1.719 1.00 0.00 C ATOM 597 CD GLN A 38 6.502 -5.247 2.899 1.00 0.00 C ATOM 598 OE1 GLN A 38 5.417 -5.108 3.603 1.00 0.00 O flip ATOM 599 NE2 GLN A 38 7.497 -4.609 3.184 1.00 0.00 N flip ATOM 0 H GLN A 38 3.077 -5.609 2.362 1.00 0.00 H new ATOM 0 HA GLN A 38 5.282 -4.153 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.463 -6.912 1.672 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.186 -6.726 0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.808 -7.211 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.249 -5.900 0.981 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.348 -4.718 2.632 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.481 -3.965 3.975 1.00 0.00 H new ATOM 608 N LEU A 39 3.267 -5.458 -1.013 1.00 0.00 N ATOM 609 CA LEU A 39 2.723 -5.275 -2.408 1.00 0.00 C ATOM 610 C LEU A 39 2.647 -3.781 -2.724 1.00 0.00 C ATOM 611 O LEU A 39 3.174 -3.308 -3.711 1.00 0.00 O ATOM 612 CB LEU A 39 1.290 -5.854 -2.482 1.00 0.00 C ATOM 613 CG LEU A 39 1.309 -7.264 -3.067 1.00 0.00 C ATOM 614 CD1 LEU A 39 -0.052 -7.924 -2.831 1.00 0.00 C ATOM 615 CD2 LEU A 39 1.557 -7.177 -4.566 1.00 0.00 C ATOM 0 H LEU A 39 2.946 -6.305 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 39 3.374 -5.785 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.848 -5.874 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.662 -5.208 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 39 2.095 -7.849 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.045 -8.932 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.251 -7.975 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.831 -7.336 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.572 -8.181 -4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.761 -6.597 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.516 -6.691 -4.749 1.00 0.00 H new ATOM 627 N TYR A 40 1.993 -3.041 -1.876 1.00 0.00 N ATOM 628 CA TYR A 40 1.857 -1.587 -2.081 1.00 0.00 C ATOM 629 C TYR A 40 3.227 -0.953 -2.359 1.00 0.00 C ATOM 630 O TYR A 40 3.436 -0.340 -3.379 1.00 0.00 O ATOM 631 CB TYR A 40 1.218 -1.001 -0.808 1.00 0.00 C ATOM 632 CG TYR A 40 2.064 0.115 -0.215 1.00 0.00 C ATOM 633 CD1 TYR A 40 2.347 1.269 -0.960 1.00 0.00 C ATOM 634 CD2 TYR A 40 2.569 -0.014 1.082 1.00 0.00 C ATOM 635 CE1 TYR A 40 3.126 2.287 -0.401 1.00 0.00 C ATOM 636 CE2 TYR A 40 3.351 1.003 1.633 1.00 0.00 C ATOM 637 CZ TYR A 40 3.623 2.154 0.893 1.00 0.00 C ATOM 638 OH TYR A 40 4.390 3.161 1.444 1.00 0.00 O ATOM 0 H TYR A 40 1.540 -3.397 -1.034 1.00 0.00 H new ATOM 0 HA TYR A 40 1.229 -1.375 -2.946 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.225 -0.619 -1.043 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.089 -1.792 -0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.964 1.371 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.354 -0.901 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.342 3.177 -0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.746 0.899 2.633 1.00 0.00 H new ATOM 0 HH TYR A 40 4.268 3.985 0.927 1.00 0.00 H new ATOM 648 N LEU A 41 4.151 -1.060 -1.452 1.00 0.00 N ATOM 649 CA LEU A 41 5.466 -0.412 -1.689 1.00 0.00 C ATOM 650 C LEU A 41 6.126 -1.000 -2.948 1.00 0.00 C ATOM 651 O LEU A 41 7.004 -0.399 -3.532 1.00 0.00 O ATOM 652 CB LEU A 41 6.365 -0.633 -0.463 1.00 0.00 C ATOM 653 CG LEU A 41 7.169 0.639 -0.143 1.00 0.00 C ATOM 654 CD1 LEU A 41 6.288 1.657 0.602 1.00 0.00 C ATOM 655 CD2 LEU A 41 8.362 0.269 0.740 1.00 0.00 C ATOM 0 H LEU A 41 4.056 -1.561 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 41 5.323 0.657 -1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.755 -0.910 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.047 -1.463 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 41 7.514 1.084 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.871 2.551 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.434 1.924 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.933 1.218 1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.936 1.166 0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.004 -0.180 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.997 -0.443 0.213 1.00 0.00 H new ATOM 667 N GLN A 42 5.724 -2.171 -3.368 1.00 0.00 N ATOM 668 CA GLN A 42 6.357 -2.792 -4.576 1.00 0.00 C ATOM 669 C GLN A 42 5.854 -2.148 -5.882 1.00 0.00 C ATOM 670 O GLN A 42 6.616 -1.552 -6.617 1.00 0.00 O ATOM 671 CB GLN A 42 6.052 -4.289 -4.592 1.00 0.00 C ATOM 672 CG GLN A 42 7.287 -5.056 -5.070 1.00 0.00 C ATOM 673 CD GLN A 42 8.452 -4.794 -4.113 1.00 0.00 C ATOM 674 OE1 GLN A 42 9.317 -3.860 -4.397 1.00 0.00 O flip ATOM 675 NE2 GLN A 42 8.575 -5.447 -3.096 1.00 0.00 N flip ATOM 0 H GLN A 42 4.988 -2.725 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 42 7.432 -2.625 -4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.766 -4.624 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.207 -4.492 -5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.071 -6.124 -5.113 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.554 -4.744 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.899 -6.177 -2.874 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.355 -5.265 -2.464 1.00 0.00 H new ATOM 684 N HIS A 43 4.590 -2.278 -6.189 1.00 0.00 N ATOM 685 CA HIS A 43 4.059 -1.691 -7.461 1.00 0.00 C ATOM 686 C HIS A 43 3.762 -0.224 -7.263 1.00 0.00 C ATOM 687 O HIS A 43 3.890 0.582 -8.164 1.00 0.00 O ATOM 688 CB HIS A 43 2.745 -2.366 -7.830 1.00 0.00 C ATOM 689 CG HIS A 43 2.813 -3.806 -7.456 1.00 0.00 C ATOM 690 ND1 HIS A 43 3.237 -4.789 -8.335 1.00 0.00 N ATOM 691 CD2 HIS A 43 2.528 -4.437 -6.285 1.00 0.00 C ATOM 692 CE1 HIS A 43 3.195 -5.958 -7.676 1.00 0.00 C ATOM 693 NE2 HIS A 43 2.769 -5.800 -6.421 1.00 0.00 N ATOM 0 H HIS A 43 3.900 -2.765 -5.616 1.00 0.00 H new ATOM 0 HA HIS A 43 4.806 -1.836 -8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.916 -1.882 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.557 -2.264 -8.899 1.00 0.00 H new ATOM 0 HD1 HIS A 43 3.527 -4.650 -9.303 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.170 -3.954 -5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.472 -6.908 -8.108 1.00 0.00 H new ATOM 701 N LEU A 44 3.337 0.124 -6.096 1.00 0.00 N ATOM 702 CA LEU A 44 2.997 1.536 -5.846 1.00 0.00 C ATOM 703 C LEU A 44 4.254 2.285 -5.386 1.00 0.00 C ATOM 704 O LEU A 44 4.348 3.485 -5.531 1.00 0.00 O ATOM 705 CB LEU A 44 1.881 1.627 -4.794 1.00 0.00 C ATOM 706 CG LEU A 44 0.583 0.872 -5.223 1.00 0.00 C ATOM 707 CD1 LEU A 44 -0.599 1.765 -4.929 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.533 0.595 -6.726 1.00 0.00 C ATOM 0 H LEU A 44 3.210 -0.506 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 44 2.632 1.998 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.241 1.214 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.643 2.675 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 44 0.566 -0.073 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.519 1.259 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.630 1.988 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.502 2.694 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.390 0.068 -6.968 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.567 1.538 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.387 -0.020 -7.011 1.00 0.00 H new ATOM 720 N THR A 45 5.244 1.592 -4.876 1.00 0.00 N ATOM 721 CA THR A 45 6.495 2.289 -4.464 1.00 0.00 C ATOM 722 C THR A 45 6.181 3.563 -3.691 1.00 0.00 C ATOM 723 O THR A 45 6.973 4.484 -3.657 1.00 0.00 O ATOM 724 CB THR A 45 7.269 2.666 -5.718 1.00 0.00 C ATOM 725 OG1 THR A 45 6.432 2.493 -6.855 1.00 0.00 O ATOM 726 CG2 THR A 45 8.492 1.763 -5.841 1.00 0.00 C ATOM 0 H THR A 45 5.237 0.583 -4.730 1.00 0.00 H new ATOM 0 HA THR A 45 7.074 1.624 -3.824 1.00 0.00 H new ATOM 0 HB THR A 45 7.589 3.706 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.926 2.737 -7.665 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.051 2.028 -6.738 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.128 1.891 -4.965 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.171 0.723 -5.907 1.00 0.00 H new ATOM 734 N ALA A 46 5.040 3.643 -3.086 1.00 0.00 N ATOM 735 CA ALA A 46 4.700 4.877 -2.345 1.00 0.00 C ATOM 736 C ALA A 46 4.994 6.070 -3.245 1.00 0.00 C ATOM 737 O ALA A 46 5.704 6.985 -2.882 1.00 0.00 O ATOM 738 CB ALA A 46 5.525 4.982 -1.064 1.00 0.00 C ATOM 0 H ALA A 46 4.330 2.911 -3.072 1.00 0.00 H new ATOM 0 HA ALA A 46 3.646 4.858 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.259 5.897 -0.534 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.320 4.121 -0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.586 5.003 -1.315 1.00 0.00 H new ATOM 744 N ARG A 47 4.418 6.037 -4.412 1.00 0.00 N ATOM 745 CA ARG A 47 4.564 7.120 -5.430 1.00 0.00 C ATOM 746 C ARG A 47 5.143 8.406 -4.828 1.00 0.00 C ATOM 747 O ARG A 47 6.326 8.666 -4.915 1.00 0.00 O ATOM 748 CB ARG A 47 3.154 7.453 -5.939 1.00 0.00 C ATOM 749 CG ARG A 47 2.081 6.828 -5.007 1.00 0.00 C ATOM 750 CD ARG A 47 1.544 5.522 -5.619 1.00 0.00 C ATOM 751 NE ARG A 47 2.545 4.967 -6.568 1.00 0.00 N ATOM 752 CZ ARG A 47 2.172 4.145 -7.511 1.00 0.00 C ATOM 753 NH1 ARG A 47 0.950 3.687 -7.535 1.00 0.00 N ATOM 754 NH2 ARG A 47 3.022 3.779 -8.431 1.00 0.00 N ATOM 0 H ARG A 47 3.823 5.267 -4.718 1.00 0.00 H new ATOM 0 HA ARG A 47 5.237 6.772 -6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.022 8.534 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.028 7.075 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.512 6.629 -4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.263 7.532 -4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.335 4.798 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.603 5.711 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 47 3.527 5.230 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.285 3.971 -6.816 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.660 3.045 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.978 4.135 -8.413 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.731 3.137 -9.168 1.00 0.00 H new ATOM 768 N ASN A 48 4.315 9.213 -4.223 1.00 0.00 N ATOM 769 CA ASN A 48 4.817 10.488 -3.620 1.00 0.00 C ATOM 770 C ASN A 48 5.149 10.257 -2.144 1.00 0.00 C ATOM 771 O ASN A 48 4.330 10.472 -1.274 1.00 0.00 O ATOM 772 CB ASN A 48 3.754 11.600 -3.735 1.00 0.00 C ATOM 773 CG ASN A 48 2.464 11.044 -4.322 1.00 0.00 C ATOM 774 OD1 ASN A 48 2.499 10.490 -5.501 1.00 0.00 O flip ATOM 775 ND2 ASN A 48 1.418 11.112 -3.707 1.00 0.00 N flip ATOM 0 H ASN A 48 3.314 9.048 -4.118 1.00 0.00 H new ATOM 0 HA ASN A 48 5.711 10.800 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.559 12.028 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.129 12.407 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.396 11.547 -2.784 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.562 10.734 -4.113 1.00 0.00 H new