USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 77 ASN : amide:sc= -0.084 K(o=0.31,f=-6.6!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -165:sc= 0.391! (180deg=-0.822!) USER MOD Set 2.1: A 45 HIS : no HD1:sc= -3.15 K(o=-1.9,f=-2.7!) USER MOD Set 2.2: A 47 SER OG : rot -126:sc= 1.22 USER MOD Set 3.1: A 25 CYS SG : rot -15:sc= 1.01 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.545 K(o=1.6,f=-0.5) USER MOD Set 4.1: A 10 TYR OH : rot 143:sc= 1.03 USER MOD Set 4.2: A 38 HIS : no HE2:sc= -0.751 K(o=0.28,f=-6.8!) USER MOD Set 5.1: A 8 SER OG : rot -31:sc= 0.437 USER MOD Set 5.2: A 80 SER OG : rot -80:sc= 1.26 USER MOD Single : A 4 LYS NZ :NH3+ -169:sc= 0.483 (180deg=-0.104) USER MOD Single : A 5 ASN : amide:sc= 1.06 K(o=1.1,f=-0.022) USER MOD Single : A 6 SER OG : rot 0:sc= 0.298 USER MOD Single : A 11 THR OG1 : rot -61:sc= 0.979 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= 0.995 (180deg=-4.22!) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 1.65 (180deg=0.889) USER MOD Single : A 24 ASN : amide:sc= 1.16 K(o=1.2,f=-0.064) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= 0.994 (180deg=-0.483) USER MOD Single : A 31 LYS NZ :NH3+ -128:sc= 0.85 (180deg=0.338!) USER MOD Single : A 35 ASN : amide:sc= -9.79! C(o=-9.8!,f=-8.2!) USER MOD Single : A 41 SER OG : rot 95:sc= 1.2 USER MOD Single : A 43 THR OG1 : rot 167:sc= 1.26 USER MOD Single : A 49 SER OG : rot -115:sc= 1.16 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.858 K(o=0.86,f=-0.018) USER MOD Single : A 59 ASN : amide:sc= -0.726 K(o=-0.73,f=-2.2!) USER MOD Single : A 62 SER OG : rot 57:sc= 0.559 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 2.33 (180deg=1.74) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= -0.18 (180deg=-0.362) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 12.070 4.320 -2.436 1.00 0.00 N ATOM 34 CA LEU A 3 10.709 4.578 -2.030 1.00 0.00 C ATOM 35 C LEU A 3 10.278 6.028 -2.272 1.00 0.00 C ATOM 36 O LEU A 3 11.091 6.954 -2.310 1.00 0.00 O ATOM 37 CB LEU A 3 10.553 4.183 -0.550 1.00 0.00 C ATOM 38 CG LEU A 3 10.751 2.675 -0.274 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.973 2.404 1.214 1.00 0.00 C ATOM 40 CD2 LEU A 3 9.578 1.832 -0.784 1.00 0.00 C ATOM 0 HA LEU A 3 10.046 3.973 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.273 4.747 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.560 4.476 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 3 11.644 2.379 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.109 1.334 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.862 2.937 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.107 2.748 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.764 0.780 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.660 2.148 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.474 1.967 -1.861 1.00 0.00 H new ATOM 52 N LYS A 4 8.968 6.240 -2.413 1.00 0.00 N ATOM 53 CA LYS A 4 8.347 7.535 -2.581 1.00 0.00 C ATOM 54 C LYS A 4 8.150 8.167 -1.215 1.00 0.00 C ATOM 55 O LYS A 4 7.815 7.494 -0.247 1.00 0.00 O ATOM 56 CB LYS A 4 7.077 7.436 -3.440 1.00 0.00 C ATOM 57 CG LYS A 4 7.236 6.622 -4.746 1.00 0.00 C ATOM 58 CD LYS A 4 7.783 7.343 -5.984 1.00 0.00 C ATOM 59 CE LYS A 4 9.259 7.741 -5.919 1.00 0.00 C ATOM 60 NZ LYS A 4 9.425 9.186 -5.651 1.00 0.00 N ATOM 0 H LYS A 4 8.292 5.476 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 4 8.996 8.205 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.286 6.985 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.749 8.444 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.892 5.778 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.260 6.211 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.637 6.699 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.190 8.242 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.757 7.167 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.746 7.487 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.419 9.454 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.820 9.731 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.153 9.390 -4.668 1.00 0.00 H new ATOM 74 N ASN A 5 8.363 9.477 -1.134 1.00 0.00 N ATOM 75 CA ASN A 5 8.275 10.229 0.111 1.00 0.00 C ATOM 76 C ASN A 5 6.816 10.360 0.557 1.00 0.00 C ATOM 77 O ASN A 5 6.554 10.789 1.680 1.00 0.00 O ATOM 78 CB ASN A 5 8.912 11.623 -0.083 1.00 0.00 C ATOM 79 CG ASN A 5 9.485 12.258 1.188 1.00 0.00 C ATOM 80 OD1 ASN A 5 10.494 12.947 1.126 1.00 0.00 O ATOM 81 ND2 ASN A 5 8.890 12.080 2.355 1.00 0.00 N ATOM 0 H ASN A 5 8.604 10.052 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 5 8.818 9.695 0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.710 11.541 -0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.160 12.294 -0.499 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.273 12.516 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.048 11.507 2.416 1.00 0.00 H new ATOM 88 N SER A 6 5.836 10.082 -0.309 1.00 0.00 N ATOM 89 CA SER A 6 4.429 10.241 0.017 1.00 0.00 C ATOM 90 C SER A 6 3.535 9.397 -0.882 1.00 0.00 C ATOM 91 O SER A 6 3.918 9.039 -1.992 1.00 0.00 O ATOM 92 CB SER A 6 4.058 11.696 -0.210 1.00 0.00 C ATOM 93 OG SER A 6 4.758 12.586 0.634 1.00 0.00 O ATOM 0 H SER A 6 6.004 9.740 -1.255 1.00 0.00 H new ATOM 0 HA SER A 6 4.282 9.925 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.258 11.958 -1.249 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.987 11.820 -0.050 1.00 0.00 H new ATOM 0 HG SER A 6 5.366 12.079 1.212 1.00 0.00 H new ATOM 99 N ILE A 7 2.279 9.213 -0.471 1.00 0.00 N ATOM 100 CA ILE A 7 1.253 8.582 -1.295 1.00 0.00 C ATOM 101 C ILE A 7 1.020 9.348 -2.597 1.00 0.00 C ATOM 102 O ILE A 7 0.710 8.703 -3.581 1.00 0.00 O ATOM 103 CB ILE A 7 -0.037 8.382 -0.470 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.011 7.060 0.314 1.00 0.00 C ATOM 105 CG2 ILE A 7 -1.352 8.443 -1.253 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.113 5.768 -0.468 1.00 0.00 C ATOM 0 H ILE A 7 1.946 9.500 0.449 1.00 0.00 H new ATOM 0 HA ILE A 7 1.603 7.595 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.047 9.243 0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.953 7.030 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.789 7.081 1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.189 8.289 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.447 9.419 -1.730 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.358 7.664 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.062 4.922 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.067 5.752 -0.995 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.701 5.700 -1.190 1.00 0.00 H new ATOM 118 N SER A 8 1.183 10.672 -2.650 1.00 0.00 N ATOM 119 CA SER A 8 1.000 11.432 -3.893 1.00 0.00 C ATOM 120 C SER A 8 2.338 11.723 -4.586 1.00 0.00 C ATOM 121 O SER A 8 2.340 12.423 -5.598 1.00 0.00 O ATOM 122 CB SER A 8 0.199 12.704 -3.581 1.00 0.00 C ATOM 123 OG SER A 8 -0.196 13.370 -4.761 1.00 0.00 O ATOM 0 H SER A 8 1.442 11.243 -1.845 1.00 0.00 H new ATOM 0 HA SER A 8 0.433 10.834 -4.607 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.683 12.445 -2.996 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.802 13.374 -2.969 1.00 0.00 H new ATOM 0 HG SER A 8 0.472 13.217 -5.462 1.00 0.00 H new ATOM 129 N ASP A 9 3.456 11.232 -4.043 1.00 0.00 N ATOM 130 CA ASP A 9 4.700 11.045 -4.795 1.00 0.00 C ATOM 131 C ASP A 9 4.603 9.693 -5.519 1.00 0.00 C ATOM 132 O ASP A 9 5.063 9.549 -6.645 1.00 0.00 O ATOM 133 CB ASP A 9 5.882 11.081 -3.811 1.00 0.00 C ATOM 134 CG ASP A 9 7.279 10.945 -4.425 1.00 0.00 C ATOM 135 OD1 ASP A 9 7.506 11.167 -5.630 1.00 0.00 O ATOM 136 OD2 ASP A 9 8.192 10.545 -3.665 1.00 0.00 O ATOM 0 H ASP A 9 3.524 10.952 -3.065 1.00 0.00 H new ATOM 0 HA ASP A 9 4.855 11.833 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.840 12.020 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.748 10.279 -3.085 1.00 0.00 H new ATOM 141 N TYR A 10 3.931 8.716 -4.893 1.00 0.00 N ATOM 142 CA TYR A 10 3.573 7.439 -5.475 1.00 0.00 C ATOM 143 C TYR A 10 2.637 7.609 -6.676 1.00 0.00 C ATOM 144 O TYR A 10 1.912 8.597 -6.856 1.00 0.00 O ATOM 145 CB TYR A 10 2.925 6.533 -4.393 1.00 0.00 C ATOM 146 CG TYR A 10 3.840 5.617 -3.617 1.00 0.00 C ATOM 147 CD1 TYR A 10 4.533 4.642 -4.339 1.00 0.00 C ATOM 148 CD2 TYR A 10 3.988 5.679 -2.215 1.00 0.00 C ATOM 149 CE1 TYR A 10 5.477 3.813 -3.728 1.00 0.00 C ATOM 150 CE2 TYR A 10 4.900 4.809 -1.593 1.00 0.00 C ATOM 151 CZ TYR A 10 5.691 3.921 -2.350 1.00 0.00 C ATOM 152 OH TYR A 10 6.686 3.198 -1.788 1.00 0.00 O ATOM 0 H TYR A 10 3.615 8.810 -3.928 1.00 0.00 H new ATOM 0 HA TYR A 10 4.482 6.963 -5.841 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.408 7.176 -3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.166 5.919 -4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.334 4.527 -5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.412 6.381 -1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.035 3.097 -4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.996 4.821 -0.517 1.00 0.00 H new ATOM 0 HH TYR A 10 7.111 3.723 -1.078 1.00 0.00 H new ATOM 162 N THR A 11 2.553 6.528 -7.436 1.00 0.00 N ATOM 163 CA THR A 11 1.588 6.211 -8.433 1.00 0.00 C ATOM 164 C THR A 11 0.901 4.920 -7.981 1.00 0.00 C ATOM 165 O THR A 11 1.413 4.187 -7.129 1.00 0.00 O ATOM 166 CB THR A 11 2.313 6.054 -9.778 1.00 0.00 C ATOM 167 OG1 THR A 11 3.184 4.958 -9.750 1.00 0.00 O ATOM 168 CG2 THR A 11 3.117 7.268 -10.262 1.00 0.00 C ATOM 0 H THR A 11 3.243 5.782 -7.345 1.00 0.00 H new ATOM 0 HA THR A 11 0.834 6.988 -8.562 1.00 0.00 H new ATOM 0 HB THR A 11 1.493 5.919 -10.484 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.858 5.094 -9.052 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.583 7.037 -11.220 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.451 8.123 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.890 7.508 -9.531 1.00 0.00 H new ATOM 176 N GLU A 12 -0.256 4.631 -8.575 1.00 0.00 N ATOM 177 CA GLU A 12 -1.034 3.441 -8.217 1.00 0.00 C ATOM 178 C GLU A 12 -0.240 2.153 -8.477 1.00 0.00 C ATOM 179 O GLU A 12 -0.409 1.161 -7.773 1.00 0.00 O ATOM 180 CB GLU A 12 -2.381 3.411 -8.986 1.00 0.00 C ATOM 181 CG GLU A 12 -3.582 3.192 -8.044 1.00 0.00 C ATOM 182 CD GLU A 12 -4.745 2.341 -8.582 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.507 1.374 -9.340 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.902 2.552 -8.148 1.00 0.00 O ATOM 0 H GLU A 12 -0.677 5.203 -9.307 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.245 3.496 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.511 4.349 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.355 2.615 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.215 2.725 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.977 4.169 -7.766 1.00 0.00 H new ATOM 191 N THR A 13 0.619 2.156 -9.497 1.00 0.00 N ATOM 192 CA THR A 13 1.398 0.997 -9.905 1.00 0.00 C ATOM 193 C THR A 13 2.620 0.831 -8.999 1.00 0.00 C ATOM 194 O THR A 13 2.935 -0.294 -8.625 1.00 0.00 O ATOM 195 CB THR A 13 1.813 1.180 -11.378 1.00 0.00 C ATOM 196 OG1 THR A 13 0.754 1.748 -12.139 1.00 0.00 O ATOM 197 CG2 THR A 13 2.224 -0.141 -12.032 1.00 0.00 C ATOM 0 H THR A 13 0.793 2.982 -10.070 1.00 0.00 H new ATOM 0 HA THR A 13 0.800 0.091 -9.812 1.00 0.00 H new ATOM 0 HB THR A 13 2.672 1.851 -11.370 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.041 1.856 -13.070 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.508 0.039 -13.069 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.070 -0.566 -11.493 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.387 -0.838 -12.001 1.00 0.00 H new ATOM 205 N GLU A 14 3.300 1.911 -8.608 1.00 0.00 N ATOM 206 CA GLU A 14 4.425 1.798 -7.690 1.00 0.00 C ATOM 207 C GLU A 14 3.961 1.321 -6.315 1.00 0.00 C ATOM 208 O GLU A 14 4.579 0.414 -5.757 1.00 0.00 O ATOM 209 CB GLU A 14 5.115 3.150 -7.595 1.00 0.00 C ATOM 210 CG GLU A 14 5.831 3.490 -8.903 1.00 0.00 C ATOM 211 CD GLU A 14 6.309 4.939 -8.875 1.00 0.00 C ATOM 212 OE1 GLU A 14 5.406 5.792 -8.704 1.00 0.00 O ATOM 213 OE2 GLU A 14 7.520 5.192 -9.036 1.00 0.00 O ATOM 0 H GLU A 14 3.091 2.862 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 14 5.130 1.057 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.381 3.922 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.833 3.140 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.680 2.821 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.158 3.337 -9.746 1.00 0.00 H new ATOM 220 N PHE A 15 2.860 1.871 -5.780 1.00 0.00 N ATOM 221 CA PHE A 15 2.359 1.370 -4.504 1.00 0.00 C ATOM 222 C PHE A 15 1.738 -0.018 -4.651 1.00 0.00 C ATOM 223 O PHE A 15 1.619 -0.727 -3.662 1.00 0.00 O ATOM 224 CB PHE A 15 1.372 2.343 -3.865 1.00 0.00 C ATOM 225 CG PHE A 15 1.209 2.157 -2.363 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.295 2.392 -1.501 1.00 0.00 C ATOM 227 CD2 PHE A 15 -0.036 1.814 -1.806 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.104 2.416 -0.109 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.240 1.896 -0.421 1.00 0.00 C ATOM 230 CZ PHE A 15 0.814 2.268 0.425 1.00 0.00 C ATOM 0 H PHE A 15 2.322 2.632 -6.195 1.00 0.00 H new ATOM 0 HA PHE A 15 3.217 1.283 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.703 3.363 -4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.400 2.226 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.281 2.555 -1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.840 1.486 -2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.949 2.548 0.550 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.211 1.672 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.636 2.439 1.476 1.00 0.00 H new ATOM 240 N LYS A 16 1.382 -0.461 -5.861 1.00 0.00 N ATOM 241 CA LYS A 16 1.173 -1.874 -6.103 1.00 0.00 C ATOM 242 C LYS A 16 2.470 -2.603 -5.876 1.00 0.00 C ATOM 243 O LYS A 16 2.434 -3.470 -5.033 1.00 0.00 O ATOM 244 CB LYS A 16 0.743 -2.093 -7.563 1.00 0.00 C ATOM 245 CG LYS A 16 -0.449 -3.032 -7.669 1.00 0.00 C ATOM 246 CD LYS A 16 -1.697 -2.156 -7.609 1.00 0.00 C ATOM 247 CE LYS A 16 -1.975 -1.569 -9.002 1.00 0.00 C ATOM 248 NZ LYS A 16 -3.336 -1.026 -9.141 1.00 0.00 N ATOM 0 H LYS A 16 1.236 0.138 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 16 0.400 -2.245 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.491 -1.134 -8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.579 -2.502 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.416 -3.597 -8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.445 -3.758 -6.856 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.551 -2.743 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.557 -1.353 -6.885 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.253 -0.779 -9.207 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.821 -2.344 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.800 -1.458 -9.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.885 -1.240 -8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.287 0.005 -9.272 1.00 0.00 H new ATOM 262 N LYS A 17 3.578 -2.301 -6.568 1.00 0.00 N ATOM 263 CA LYS A 17 4.771 -3.138 -6.528 1.00 0.00 C ATOM 264 C LYS A 17 5.186 -3.417 -5.088 1.00 0.00 C ATOM 265 O LYS A 17 5.599 -4.532 -4.817 1.00 0.00 O ATOM 266 CB LYS A 17 5.897 -2.494 -7.348 1.00 0.00 C ATOM 267 CG LYS A 17 6.825 -3.503 -8.052 1.00 0.00 C ATOM 268 CD LYS A 17 7.686 -4.427 -7.162 1.00 0.00 C ATOM 269 CE LYS A 17 7.080 -5.836 -7.027 1.00 0.00 C ATOM 270 NZ LYS A 17 7.866 -6.746 -6.160 1.00 0.00 N ATOM 0 H LYS A 17 3.666 -1.477 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 17 4.548 -4.103 -6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.455 -1.839 -8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.496 -1.865 -6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.210 -4.133 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.496 -2.944 -8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.688 -4.504 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.790 -3.982 -6.172 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.070 -5.750 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.992 -6.280 -8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.245 -7.492 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.631 -7.179 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.274 -6.206 -5.370 1.00 0.00 H new ATOM 284 N ILE A 18 5.037 -2.457 -4.173 1.00 0.00 N ATOM 285 CA ILE A 18 5.219 -2.678 -2.741 1.00 0.00 C ATOM 286 C ILE A 18 4.248 -3.737 -2.213 1.00 0.00 C ATOM 287 O ILE A 18 4.646 -4.803 -1.759 1.00 0.00 O ATOM 288 CB ILE A 18 5.220 -1.317 -2.005 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.507 -1.331 -1.149 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.000 -0.765 -1.246 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.610 -0.228 -0.114 1.00 0.00 C ATOM 0 H ILE A 18 4.785 -1.497 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 18 6.196 -3.115 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 18 5.165 -0.577 -2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.574 -2.292 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.367 -1.263 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.248 0.205 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.163 -0.652 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.724 -1.456 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.548 -0.328 0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.581 0.741 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.775 -0.304 0.583 1.00 0.00 H new ATOM 303 N ILE A 19 2.957 -3.473 -2.304 1.00 0.00 N ATOM 304 CA ILE A 19 1.933 -4.270 -1.645 1.00 0.00 C ATOM 305 C ILE A 19 1.764 -5.650 -2.311 1.00 0.00 C ATOM 306 O ILE A 19 1.438 -6.637 -1.658 1.00 0.00 O ATOM 307 CB ILE A 19 0.705 -3.332 -1.661 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.755 -2.431 -0.416 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.681 -3.923 -1.832 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.446 -3.208 0.861 1.00 0.00 C ATOM 0 H ILE A 19 2.584 -2.691 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 19 2.162 -4.567 -0.622 1.00 0.00 H new ATOM 0 HB ILE A 19 0.820 -2.788 -2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.743 -1.978 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.039 -1.617 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.422 -3.123 -1.820 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.736 -4.454 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.884 -4.617 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.492 -2.535 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.553 -3.639 0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.178 -4.006 0.988 1.00 0.00 H new ATOM 322 N GLU A 20 2.050 -5.749 -3.602 1.00 0.00 N ATOM 323 CA GLU A 20 2.306 -6.908 -4.403 1.00 0.00 C ATOM 324 C GLU A 20 3.454 -7.707 -3.808 1.00 0.00 C ATOM 325 O GLU A 20 3.285 -8.893 -3.539 1.00 0.00 O ATOM 326 CB GLU A 20 2.683 -6.310 -5.752 1.00 0.00 C ATOM 327 CG GLU A 20 2.887 -7.286 -6.872 1.00 0.00 C ATOM 328 CD GLU A 20 3.311 -6.528 -8.136 1.00 0.00 C ATOM 329 OE1 GLU A 20 2.416 -5.989 -8.826 1.00 0.00 O ATOM 330 OE2 GLU A 20 4.539 -6.441 -8.367 1.00 0.00 O ATOM 0 H GLU A 20 2.112 -4.904 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 20 1.465 -7.598 -4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.903 -5.608 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.600 -5.734 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.649 -8.016 -6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.967 -7.840 -7.058 1.00 0.00 H new ATOM 337 N ASP A 21 4.603 -7.059 -3.606 1.00 0.00 N ATOM 338 CA ASP A 21 5.821 -7.634 -3.011 1.00 0.00 C ATOM 339 C ASP A 21 5.474 -8.496 -1.810 1.00 0.00 C ATOM 340 O ASP A 21 5.872 -9.656 -1.723 1.00 0.00 O ATOM 341 CB ASP A 21 6.794 -6.545 -2.531 1.00 0.00 C ATOM 342 CG ASP A 21 8.215 -7.015 -2.616 1.00 0.00 C ATOM 343 OD1 ASP A 21 8.702 -7.705 -1.701 1.00 0.00 O ATOM 344 OD2 ASP A 21 8.856 -6.680 -3.636 1.00 0.00 O ATOM 0 H ASP A 21 4.720 -6.078 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 21 6.294 -8.228 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.668 -5.648 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.559 -6.271 -1.502 1.00 0.00 H new ATOM 349 N ILE A 22 4.661 -7.909 -0.937 1.00 0.00 N ATOM 350 CA ILE A 22 4.124 -8.451 0.292 1.00 0.00 C ATOM 351 C ILE A 22 3.336 -9.732 0.044 1.00 0.00 C ATOM 352 O ILE A 22 3.627 -10.738 0.686 1.00 0.00 O ATOM 353 CB ILE A 22 3.351 -7.297 0.986 1.00 0.00 C ATOM 354 CG1 ILE A 22 4.187 -6.822 2.183 1.00 0.00 C ATOM 355 CG2 ILE A 22 1.894 -7.497 1.427 1.00 0.00 C ATOM 356 CD1 ILE A 22 3.481 -5.712 2.954 1.00 0.00 C ATOM 0 H ILE A 22 4.336 -6.955 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 22 4.903 -8.787 0.976 1.00 0.00 H new ATOM 0 HB ILE A 22 3.230 -6.568 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.380 -7.663 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.155 -6.464 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.525 -6.582 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.280 -7.736 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.840 -8.315 2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.102 -5.401 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.311 -4.862 2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.525 -6.079 3.326 1.00 0.00 H new ATOM 368 N ILE A 23 2.366 -9.705 -0.869 1.00 0.00 N ATOM 369 CA ILE A 23 1.506 -10.858 -1.148 1.00 0.00 C ATOM 370 C ILE A 23 2.282 -11.982 -1.860 1.00 0.00 C ATOM 371 O ILE A 23 2.053 -13.155 -1.572 1.00 0.00 O ATOM 372 CB ILE A 23 0.244 -10.413 -1.931 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.639 -9.405 -1.154 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.641 -11.601 -2.355 1.00 0.00 C ATOM 375 CD1 ILE A 23 -1.100 -9.835 0.247 1.00 0.00 C ATOM 0 H ILE A 23 2.153 -8.885 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 23 1.168 -11.278 -0.200 1.00 0.00 H new ATOM 0 HB ILE A 23 0.644 -9.920 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.087 -8.470 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.524 -9.193 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.510 -11.231 -2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.068 -12.270 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.972 -12.143 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.710 -9.046 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.688 -10.749 0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.229 -10.015 0.877 1.00 0.00 H new ATOM 387 N ASN A 24 3.194 -11.668 -2.785 1.00 0.00 N ATOM 388 CA ASN A 24 4.045 -12.597 -3.486 1.00 0.00 C ATOM 389 C ASN A 24 5.045 -13.222 -2.536 1.00 0.00 C ATOM 390 O ASN A 24 5.438 -14.374 -2.698 1.00 0.00 O ATOM 391 CB ASN A 24 4.836 -11.724 -4.445 1.00 0.00 C ATOM 392 CG ASN A 24 4.147 -11.511 -5.749 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.403 -12.148 -6.761 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.297 -10.526 -5.716 1.00 0.00 N ATOM 0 H ASN A 24 3.357 -10.702 -3.071 1.00 0.00 H new ATOM 0 HA ASN A 24 3.465 -13.389 -3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.021 -10.757 -3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.808 -12.182 -4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.804 -10.249 -6.565 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.124 -10.031 -4.841 1.00 0.00 H new ATOM 401 N CYS A 25 5.465 -12.389 -1.590 1.00 0.00 N ATOM 402 CA CYS A 25 6.541 -12.616 -0.635 1.00 0.00 C ATOM 403 C CYS A 25 7.892 -12.669 -1.363 1.00 0.00 C ATOM 404 O CYS A 25 8.644 -13.634 -1.229 1.00 0.00 O ATOM 405 CB CYS A 25 6.288 -13.870 0.228 1.00 0.00 C ATOM 406 SG CYS A 25 4.651 -13.863 1.022 1.00 0.00 S ATOM 0 H CYS A 25 5.032 -11.474 -1.462 1.00 0.00 H new ATOM 0 HA CYS A 25 6.569 -11.776 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.380 -14.759 -0.396 1.00 0.00 H new ATOM 0 HB3 CYS A 25 7.059 -13.938 0.996 1.00 0.00 H new ATOM 0 HG CYS A 25 4.150 -12.665 0.972 1.00 0.00 H new ATOM 411 N GLU A 26 8.228 -11.632 -2.138 1.00 0.00 N ATOM 412 CA GLU A 26 9.490 -11.416 -2.800 1.00 0.00 C ATOM 413 C GLU A 26 10.588 -11.043 -1.779 1.00 0.00 C ATOM 414 O GLU A 26 11.258 -10.012 -1.882 1.00 0.00 O ATOM 415 CB GLU A 26 9.269 -10.351 -3.890 1.00 0.00 C ATOM 416 CG GLU A 26 10.407 -10.320 -4.908 1.00 0.00 C ATOM 417 CD GLU A 26 10.546 -8.947 -5.589 1.00 0.00 C ATOM 418 OE1 GLU A 26 9.733 -8.636 -6.492 1.00 0.00 O ATOM 419 OE2 GLU A 26 11.462 -8.186 -5.194 1.00 0.00 O ATOM 0 H GLU A 26 7.569 -10.876 -2.323 1.00 0.00 H new ATOM 0 HA GLU A 26 9.849 -12.327 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.329 -10.551 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.175 -9.370 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.343 -10.572 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.233 -11.083 -5.667 1.00 0.00 H new ATOM 426 N GLY A 27 10.757 -11.853 -0.738 1.00 0.00 N ATOM 427 CA GLY A 27 11.407 -11.413 0.482 1.00 0.00 C ATOM 428 C GLY A 27 11.892 -12.541 1.377 1.00 0.00 C ATOM 429 O GLY A 27 11.960 -13.703 0.991 1.00 0.00 O ATOM 0 H GLY A 27 10.448 -12.825 -0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.257 -10.783 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.711 -10.792 1.046 1.00 0.00 H new ATOM 433 N ASP A 28 12.279 -12.128 2.582 1.00 0.00 N ATOM 434 CA ASP A 28 12.935 -12.908 3.631 1.00 0.00 C ATOM 435 C ASP A 28 12.296 -12.499 4.968 1.00 0.00 C ATOM 436 O ASP A 28 12.989 -12.276 5.942 1.00 0.00 O ATOM 437 CB ASP A 28 14.451 -12.613 3.572 1.00 0.00 C ATOM 438 CG ASP A 28 15.280 -13.340 4.644 1.00 0.00 C ATOM 439 OD1 ASP A 28 15.211 -14.583 4.712 1.00 0.00 O ATOM 440 OD2 ASP A 28 16.015 -12.648 5.392 1.00 0.00 O ATOM 0 H ASP A 28 12.130 -11.162 2.874 1.00 0.00 H new ATOM 0 HA ASP A 28 12.808 -13.983 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.826 -12.894 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 28 14.605 -11.539 3.677 1.00 0.00 H new ATOM 445 N GLU A 29 10.985 -12.222 4.974 1.00 0.00 N ATOM 446 CA GLU A 29 10.127 -11.492 5.925 1.00 0.00 C ATOM 447 C GLU A 29 10.502 -10.019 6.043 1.00 0.00 C ATOM 448 O GLU A 29 9.651 -9.140 6.031 1.00 0.00 O ATOM 449 CB GLU A 29 9.836 -12.222 7.268 1.00 0.00 C ATOM 450 CG GLU A 29 10.719 -13.391 7.776 1.00 0.00 C ATOM 451 CD GLU A 29 11.991 -13.017 8.561 1.00 0.00 C ATOM 452 OE1 GLU A 29 12.231 -11.824 8.844 1.00 0.00 O ATOM 453 OE2 GLU A 29 12.805 -13.925 8.864 1.00 0.00 O ATOM 0 H GLU A 29 10.416 -12.555 4.195 1.00 0.00 H new ATOM 0 HA GLU A 29 9.137 -11.495 5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.844 -11.460 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.817 -12.603 7.204 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.104 -14.029 8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.016 -13.990 6.915 1.00 0.00 H new ATOM 460 N LYS A 30 11.783 -9.723 5.972 1.00 0.00 N ATOM 461 CA LYS A 30 12.367 -8.417 6.266 1.00 0.00 C ATOM 462 C LYS A 30 11.996 -7.381 5.228 1.00 0.00 C ATOM 463 O LYS A 30 11.649 -6.253 5.535 1.00 0.00 O ATOM 464 CB LYS A 30 13.889 -8.590 6.418 1.00 0.00 C ATOM 465 CG LYS A 30 14.143 -9.594 7.553 1.00 0.00 C ATOM 466 CD LYS A 30 15.576 -10.084 7.792 1.00 0.00 C ATOM 467 CE LYS A 30 15.525 -11.384 8.625 1.00 0.00 C ATOM 468 NZ LYS A 30 14.913 -12.507 7.881 1.00 0.00 N ATOM 0 H LYS A 30 12.482 -10.412 5.696 1.00 0.00 H new ATOM 0 HA LYS A 30 11.959 -8.035 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.326 -8.950 5.487 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.360 -7.633 6.643 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.789 -9.143 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.521 -10.469 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.077 -10.265 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.153 -9.322 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.536 -11.659 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.958 -11.205 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.501 -13.185 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.166 -12.143 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.641 -12.983 7.311 1.00 0.00 H new ATOM 482 N LYS A 31 12.036 -7.795 3.973 1.00 0.00 N ATOM 483 CA LYS A 31 11.605 -7.054 2.816 1.00 0.00 C ATOM 484 C LYS A 31 10.105 -6.721 2.890 1.00 0.00 C ATOM 485 O LYS A 31 9.657 -5.742 2.307 1.00 0.00 O ATOM 486 CB LYS A 31 11.960 -7.953 1.623 1.00 0.00 C ATOM 487 CG LYS A 31 12.430 -7.255 0.348 1.00 0.00 C ATOM 488 CD LYS A 31 11.410 -6.329 -0.327 1.00 0.00 C ATOM 489 CE LYS A 31 11.710 -6.182 -1.830 1.00 0.00 C ATOM 490 NZ LYS A 31 11.288 -7.372 -2.599 1.00 0.00 N ATOM 0 H LYS A 31 12.395 -8.718 3.727 1.00 0.00 H new ATOM 0 HA LYS A 31 12.094 -6.083 2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.741 -8.644 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.084 -8.553 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 31 13.320 -6.672 0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.730 -8.018 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.405 -6.728 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.432 -5.349 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.199 -5.301 -2.217 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.778 -6.019 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.082 -7.709 -3.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.995 -8.124 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.489 -7.121 -3.216 1.00 0.00 H new ATOM 504 N GLN A 32 9.326 -7.557 3.577 1.00 0.00 N ATOM 505 CA GLN A 32 7.894 -7.415 3.755 1.00 0.00 C ATOM 506 C GLN A 32 7.624 -6.488 4.944 1.00 0.00 C ATOM 507 O GLN A 32 6.711 -5.676 4.857 1.00 0.00 O ATOM 508 CB GLN A 32 7.252 -8.810 3.922 1.00 0.00 C ATOM 509 CG GLN A 32 7.866 -9.832 2.943 1.00 0.00 C ATOM 510 CD GLN A 32 7.220 -11.209 2.976 1.00 0.00 C ATOM 511 OE1 GLN A 32 7.882 -12.179 3.328 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.966 -11.341 2.580 1.00 0.00 N ATOM 0 H GLN A 32 9.699 -8.385 4.042 1.00 0.00 H new ATOM 0 HA GLN A 32 7.438 -6.959 2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.391 -9.156 4.946 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.178 -8.741 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.792 -9.435 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.927 -9.938 3.167 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.433 -10.520 2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.531 -12.263 2.563 1.00 0.00 H new ATOM 521 N ASP A 33 8.436 -6.556 6.008 1.00 0.00 N ATOM 522 CA ASP A 33 8.446 -5.571 7.108 1.00 0.00 C ATOM 523 C ASP A 33 8.785 -4.171 6.597 1.00 0.00 C ATOM 524 O ASP A 33 8.163 -3.186 6.988 1.00 0.00 O ATOM 525 CB ASP A 33 9.480 -5.981 8.167 1.00 0.00 C ATOM 526 CG ASP A 33 9.224 -5.345 9.539 1.00 0.00 C ATOM 527 OD1 ASP A 33 8.077 -5.466 10.027 1.00 0.00 O ATOM 528 OD2 ASP A 33 10.205 -4.844 10.138 1.00 0.00 O ATOM 0 H ASP A 33 9.116 -7.306 6.134 1.00 0.00 H new ATOM 0 HA ASP A 33 7.448 -5.551 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.474 -7.066 8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.475 -5.699 7.823 1.00 0.00 H new ATOM 533 N ASP A 34 9.736 -4.107 5.662 1.00 0.00 N ATOM 534 CA ASP A 34 10.208 -2.880 5.017 1.00 0.00 C ATOM 535 C ASP A 34 9.061 -2.196 4.276 1.00 0.00 C ATOM 536 O ASP A 34 8.788 -1.016 4.509 1.00 0.00 O ATOM 537 CB ASP A 34 11.401 -3.208 4.094 1.00 0.00 C ATOM 538 CG ASP A 34 11.776 -2.135 3.056 1.00 0.00 C ATOM 539 OD1 ASP A 34 11.021 -1.986 2.071 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.899 -1.584 3.149 1.00 0.00 O ATOM 0 H ASP A 34 10.216 -4.940 5.321 1.00 0.00 H new ATOM 0 HA ASP A 34 10.560 -2.174 5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.274 -3.400 4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.179 -4.134 3.564 1.00 0.00 H new ATOM 545 N ASN A 35 8.305 -2.961 3.476 1.00 0.00 N ATOM 546 CA ASN A 35 7.013 -2.490 2.986 1.00 0.00 C ATOM 547 C ASN A 35 6.145 -2.091 4.148 1.00 0.00 C ATOM 548 O ASN A 35 5.502 -1.060 4.044 1.00 0.00 O ATOM 549 CB ASN A 35 6.256 -3.543 2.158 1.00 0.00 C ATOM 550 CG ASN A 35 4.801 -3.184 1.774 1.00 0.00 C ATOM 551 OD1 ASN A 35 4.432 -3.350 0.631 1.00 0.00 O ATOM 552 ND2 ASN A 35 3.873 -2.803 2.651 1.00 0.00 N ATOM 0 H ASN A 35 8.566 -3.895 3.161 1.00 0.00 H new ATOM 0 HA ASN A 35 7.223 -1.642 2.334 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.817 -3.729 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.243 -4.477 2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.909 -2.666 2.346 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.126 -2.648 3.627 1.00 0.00 H new ATOM 559 N LEU A 36 5.946 -2.946 5.148 1.00 0.00 N ATOM 560 CA LEU A 36 4.866 -2.792 6.087 1.00 0.00 C ATOM 561 C LEU A 36 4.901 -1.443 6.796 1.00 0.00 C ATOM 562 O LEU A 36 3.908 -0.718 6.782 1.00 0.00 O ATOM 563 CB LEU A 36 4.821 -4.018 7.008 1.00 0.00 C ATOM 564 CG LEU A 36 3.755 -5.032 6.595 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.692 -6.179 7.607 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.349 -4.459 6.377 1.00 0.00 C ATOM 0 H LEU A 36 6.535 -3.761 5.320 1.00 0.00 H new ATOM 0 HA LEU A 36 3.913 -2.765 5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.797 -4.503 7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.629 -3.692 8.030 1.00 0.00 H new ATOM 0 HG LEU A 36 4.078 -5.389 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.928 -6.894 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.660 -6.679 7.651 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.443 -5.782 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.670 -5.261 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.996 -4.001 7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.381 -3.708 5.588 1.00 0.00 H new ATOM 578 N GLU A 37 6.072 -1.059 7.286 1.00 0.00 N ATOM 579 CA GLU A 37 6.326 0.291 7.821 1.00 0.00 C ATOM 580 C GLU A 37 5.971 1.311 6.762 1.00 0.00 C ATOM 581 O GLU A 37 5.222 2.245 7.028 1.00 0.00 O ATOM 582 CB GLU A 37 7.793 0.483 8.258 1.00 0.00 C ATOM 583 CG GLU A 37 8.088 1.835 8.961 1.00 0.00 C ATOM 584 CD GLU A 37 8.028 3.123 8.103 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.481 3.121 6.938 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.552 4.159 8.629 1.00 0.00 O ATOM 0 H GLU A 37 6.885 -1.673 7.328 1.00 0.00 H new ATOM 0 HA GLU A 37 5.707 0.424 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.066 -0.329 8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.434 0.398 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.381 1.947 9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.083 1.773 9.403 1.00 0.00 H new ATOM 593 N HIS A 38 6.468 1.127 5.548 1.00 0.00 N ATOM 594 CA HIS A 38 6.274 2.098 4.504 1.00 0.00 C ATOM 595 C HIS A 38 4.788 2.287 4.152 1.00 0.00 C ATOM 596 O HIS A 38 4.338 3.404 3.901 1.00 0.00 O ATOM 597 CB HIS A 38 7.119 1.668 3.318 1.00 0.00 C ATOM 598 CG HIS A 38 7.288 2.820 2.403 1.00 0.00 C ATOM 599 ND1 HIS A 38 7.996 3.961 2.688 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.626 2.986 1.231 1.00 0.00 C ATOM 601 CE1 HIS A 38 7.806 4.798 1.660 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.008 4.235 0.736 1.00 0.00 N ATOM 0 H HIS A 38 7.009 0.308 5.270 1.00 0.00 H new ATOM 0 HA HIS A 38 6.598 3.083 4.839 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.091 1.312 3.658 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.641 0.839 2.796 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.558 4.137 3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 38 5.940 2.290 0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.234 5.787 1.584 1.00 0.00 H new ATOM 610 N PHE A 39 4.014 1.204 4.168 1.00 0.00 N ATOM 611 CA PHE A 39 2.558 1.129 4.055 1.00 0.00 C ATOM 612 C PHE A 39 1.823 1.773 5.236 1.00 0.00 C ATOM 613 O PHE A 39 0.623 2.043 5.139 1.00 0.00 O ATOM 614 CB PHE A 39 2.163 -0.334 3.881 1.00 0.00 C ATOM 615 CG PHE A 39 0.685 -0.607 3.687 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.073 -0.374 2.443 1.00 0.00 C ATOM 617 CD2 PHE A 39 -0.063 -1.168 4.733 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.281 -0.698 2.244 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.417 -1.489 4.543 1.00 0.00 C ATOM 620 CZ PHE A 39 -2.030 -1.241 3.307 1.00 0.00 C ATOM 0 H PHE A 39 4.425 0.276 4.269 1.00 0.00 H new ATOM 0 HA PHE A 39 2.252 1.708 3.184 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.702 -0.735 3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.502 -0.887 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.646 0.056 1.635 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.405 -1.354 5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.744 -0.532 1.282 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.986 -1.927 5.350 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.077 -1.466 3.169 1.00 0.00 H new ATOM 630 N ILE A 40 2.504 2.055 6.339 1.00 0.00 N ATOM 631 CA ILE A 40 2.026 3.061 7.295 1.00 0.00 C ATOM 632 C ILE A 40 2.422 4.433 6.739 1.00 0.00 C ATOM 633 O ILE A 40 1.572 5.317 6.601 1.00 0.00 O ATOM 634 CB ILE A 40 2.567 2.871 8.749 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.819 1.760 9.502 1.00 0.00 C ATOM 636 CG2 ILE A 40 2.409 4.142 9.611 1.00 0.00 C ATOM 637 CD1 ILE A 40 2.253 0.404 8.983 1.00 0.00 C ATOM 0 H ILE A 40 3.384 1.608 6.598 1.00 0.00 H new ATOM 0 HA ILE A 40 0.945 2.958 7.392 1.00 0.00 H new ATOM 0 HB ILE A 40 3.620 2.621 8.616 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.022 1.832 10.570 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.743 1.881 9.373 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.801 3.955 10.611 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.961 4.963 9.153 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.354 4.407 9.678 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.719 -0.379 9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.027 0.332 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.325 0.282 9.135 1.00 0.00 H new ATOM 649 N SER A 41 3.711 4.585 6.439 1.00 0.00 N ATOM 650 CA SER A 41 4.437 5.826 6.327 1.00 0.00 C ATOM 651 C SER A 41 3.934 6.809 5.257 1.00 0.00 C ATOM 652 O SER A 41 3.617 7.954 5.580 1.00 0.00 O ATOM 653 CB SER A 41 5.934 5.513 6.193 1.00 0.00 C ATOM 654 OG SER A 41 6.697 6.165 7.185 1.00 0.00 O ATOM 0 H SER A 41 4.309 3.779 6.257 1.00 0.00 H new ATOM 0 HA SER A 41 4.249 6.380 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.088 4.436 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.282 5.819 5.207 1.00 0.00 H new ATOM 0 HG SER A 41 6.832 5.560 7.944 1.00 0.00 H new ATOM 660 N VAL A 42 3.867 6.435 3.968 1.00 0.00 N ATOM 661 CA VAL A 42 3.322 7.248 2.916 1.00 0.00 C ATOM 662 C VAL A 42 1.830 7.523 3.137 1.00 0.00 C ATOM 663 O VAL A 42 1.290 8.542 2.670 1.00 0.00 O ATOM 664 CB VAL A 42 3.638 6.520 1.632 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.045 6.897 1.185 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.367 5.024 1.537 1.00 0.00 C ATOM 0 H VAL A 42 4.205 5.530 3.641 1.00 0.00 H new ATOM 0 HA VAL A 42 3.763 8.244 2.887 1.00 0.00 H new ATOM 0 HB VAL A 42 2.881 6.876 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.284 6.376 0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.099 7.973 1.021 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.761 6.611 1.956 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.652 4.665 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.949 4.500 2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.306 4.835 1.700 1.00 0.00 H new ATOM 676 N THR A 43 1.153 6.569 3.769 1.00 0.00 N ATOM 677 CA THR A 43 -0.259 6.496 4.039 1.00 0.00 C ATOM 678 C THR A 43 -0.562 7.410 5.238 1.00 0.00 C ATOM 679 O THR A 43 0.102 8.416 5.472 1.00 0.00 O ATOM 680 CB THR A 43 -0.671 5.000 4.136 1.00 0.00 C ATOM 681 OG1 THR A 43 0.408 4.161 3.791 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.687 4.664 3.064 1.00 0.00 C ATOM 0 H THR A 43 1.639 5.751 4.137 1.00 0.00 H new ATOM 0 HA THR A 43 -0.892 6.883 3.240 1.00 0.00 H new ATOM 0 HB THR A 43 -1.032 4.854 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.202 3.239 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.966 3.613 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.573 5.286 3.194 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.254 4.851 2.081 1.00 0.00 H new ATOM 690 N GLU A 44 -1.684 7.161 5.891 1.00 0.00 N ATOM 691 CA GLU A 44 -2.058 7.528 7.244 1.00 0.00 C ATOM 692 C GLU A 44 -3.026 6.424 7.729 1.00 0.00 C ATOM 693 O GLU A 44 -3.768 6.608 8.688 1.00 0.00 O ATOM 694 CB GLU A 44 -2.751 8.908 7.244 1.00 0.00 C ATOM 695 CG GLU A 44 -1.885 10.156 7.452 1.00 0.00 C ATOM 696 CD GLU A 44 -2.721 11.393 7.117 1.00 0.00 C ATOM 697 OE1 GLU A 44 -3.162 11.528 5.946 1.00 0.00 O ATOM 698 OE2 GLU A 44 -3.041 12.203 8.010 1.00 0.00 O ATOM 0 H GLU A 44 -2.435 6.641 5.436 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.191 7.606 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.271 9.019 6.292 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.512 8.898 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.534 10.205 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.001 10.113 6.816 1.00 0.00 H new ATOM 705 N HIS A 45 -3.088 5.305 6.995 1.00 0.00 N ATOM 706 CA HIS A 45 -4.189 4.372 6.991 1.00 0.00 C ATOM 707 C HIS A 45 -4.104 3.466 8.235 1.00 0.00 C ATOM 708 O HIS A 45 -3.222 2.609 8.286 1.00 0.00 O ATOM 709 CB HIS A 45 -4.179 3.614 5.648 1.00 0.00 C ATOM 710 CG HIS A 45 -5.431 2.764 5.527 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.679 1.722 6.389 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.560 2.928 4.740 1.00 0.00 C ATOM 713 CE1 HIS A 45 -6.936 1.305 6.199 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.496 2.011 5.213 1.00 0.00 N ATOM 0 H HIS A 45 -2.334 5.027 6.367 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.152 4.878 7.062 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.128 4.322 4.821 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.293 2.983 5.583 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.688 3.625 3.925 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.423 0.519 6.757 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.448 1.898 4.865 1.00 0.00 H new ATOM 722 N PRO A 46 -5.010 3.609 9.222 1.00 0.00 N ATOM 723 CA PRO A 46 -4.840 3.106 10.583 1.00 0.00 C ATOM 724 C PRO A 46 -4.698 1.589 10.680 1.00 0.00 C ATOM 725 O PRO A 46 -4.036 1.113 11.597 1.00 0.00 O ATOM 726 CB PRO A 46 -6.055 3.610 11.377 1.00 0.00 C ATOM 727 CG PRO A 46 -7.078 4.017 10.315 1.00 0.00 C ATOM 728 CD PRO A 46 -6.200 4.424 9.147 1.00 0.00 C ATOM 0 HA PRO A 46 -3.899 3.477 10.989 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.451 2.832 12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.789 4.454 12.013 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.742 3.193 10.055 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.708 4.839 10.654 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.717 4.268 8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.948 5.483 9.202 1.00 0.00 H new ATOM 736 N SER A 47 -5.282 0.840 9.744 1.00 0.00 N ATOM 737 CA SER A 47 -5.129 -0.602 9.656 1.00 0.00 C ATOM 738 C SER A 47 -3.659 -1.035 9.614 1.00 0.00 C ATOM 739 O SER A 47 -3.326 -2.064 10.194 1.00 0.00 O ATOM 740 CB SER A 47 -5.886 -1.068 8.413 1.00 0.00 C ATOM 741 OG SER A 47 -7.267 -0.891 8.614 1.00 0.00 O ATOM 0 H SER A 47 -5.883 1.230 9.017 1.00 0.00 H new ATOM 0 HA SER A 47 -5.540 -1.067 10.552 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.559 -0.502 7.541 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.668 -2.117 8.213 1.00 0.00 H new ATOM 0 HG SER A 47 -7.732 -1.739 8.456 1.00 0.00 H new ATOM 747 N GLY A 48 -2.778 -0.311 8.910 1.00 0.00 N ATOM 748 CA GLY A 48 -1.322 -0.508 8.899 1.00 0.00 C ATOM 749 C GLY A 48 -0.758 -1.797 8.314 1.00 0.00 C ATOM 750 O GLY A 48 0.415 -1.898 7.999 1.00 0.00 O ATOM 0 H GLY A 48 -3.072 0.459 8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.881 0.324 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.971 -0.432 9.928 1.00 0.00 H new ATOM 754 N SER A 49 -1.625 -2.767 8.169 1.00 0.00 N ATOM 755 CA SER A 49 -1.420 -4.138 7.711 1.00 0.00 C ATOM 756 C SER A 49 -2.709 -4.957 7.849 1.00 0.00 C ATOM 757 O SER A 49 -2.794 -6.055 7.306 1.00 0.00 O ATOM 758 CB SER A 49 -0.351 -4.831 8.581 1.00 0.00 C ATOM 759 OG SER A 49 0.034 -6.079 8.045 1.00 0.00 O ATOM 0 H SER A 49 -2.607 -2.607 8.392 1.00 0.00 H new ATOM 0 HA SER A 49 -1.109 -4.090 6.667 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.524 -4.186 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.739 -4.973 9.589 1.00 0.00 H new ATOM 0 HG SER A 49 -0.228 -6.795 8.661 1.00 0.00 H new ATOM 765 N ASP A 50 -3.717 -4.478 8.575 1.00 0.00 N ATOM 766 CA ASP A 50 -4.991 -5.181 8.724 1.00 0.00 C ATOM 767 C ASP A 50 -5.671 -5.415 7.363 1.00 0.00 C ATOM 768 O ASP A 50 -6.237 -6.481 7.158 1.00 0.00 O ATOM 769 CB ASP A 50 -5.835 -4.455 9.786 1.00 0.00 C ATOM 770 CG ASP A 50 -7.333 -4.384 9.507 1.00 0.00 C ATOM 771 OD1 ASP A 50 -7.707 -3.474 8.729 1.00 0.00 O ATOM 772 OD2 ASP A 50 -8.067 -5.131 10.182 1.00 0.00 O ATOM 0 H ASP A 50 -3.674 -3.591 9.077 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.840 -6.194 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.686 -4.953 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.456 -3.439 9.892 1.00 0.00 H new ATOM 777 N LEU A 51 -5.447 -4.564 6.350 1.00 0.00 N ATOM 778 CA LEU A 51 -5.952 -4.795 4.994 1.00 0.00 C ATOM 779 C LEU A 51 -5.198 -5.889 4.240 1.00 0.00 C ATOM 780 O LEU A 51 -5.666 -6.337 3.195 1.00 0.00 O ATOM 781 CB LEU A 51 -5.795 -3.481 4.232 1.00 0.00 C ATOM 782 CG LEU A 51 -6.684 -2.353 4.771 1.00 0.00 C ATOM 783 CD1 LEU A 51 -6.389 -1.130 3.916 1.00 0.00 C ATOM 784 CD2 LEU A 51 -8.175 -2.694 4.738 1.00 0.00 C ATOM 0 H LEU A 51 -4.913 -3.701 6.450 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.987 -5.127 5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.753 -3.165 4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.031 -3.649 3.181 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.458 -2.180 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.997 -0.292 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.334 -0.871 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.624 -1.349 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.749 -1.855 5.132 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.480 -2.891 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.360 -3.578 5.348 1.00 0.00 H new ATOM 796 N ILE A 52 -4.024 -6.275 4.737 1.00 0.00 N ATOM 797 CA ILE A 52 -3.109 -7.231 4.129 1.00 0.00 C ATOM 798 C ILE A 52 -3.323 -8.603 4.797 1.00 0.00 C ATOM 799 O ILE A 52 -3.135 -9.631 4.150 1.00 0.00 O ATOM 800 CB ILE A 52 -1.674 -6.681 4.255 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.496 -5.410 3.393 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.508 -7.660 4.027 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.234 -4.628 3.763 1.00 0.00 C ATOM 0 H ILE A 52 -3.670 -5.908 5.621 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.296 -7.371 3.064 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.596 -6.451 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.451 -5.691 2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.368 -4.767 3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.438 -7.133 4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.567 -8.471 4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.569 -8.070 3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.154 -3.745 3.129 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.289 -4.322 4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.642 -5.260 3.616 1.00 0.00 H new ATOM 815 N TYR A 53 -3.726 -8.637 6.078 1.00 0.00 N ATOM 816 CA TYR A 53 -3.798 -9.836 6.898 1.00 0.00 C ATOM 817 C TYR A 53 -5.219 -10.217 7.323 1.00 0.00 C ATOM 818 O TYR A 53 -5.484 -11.409 7.486 1.00 0.00 O ATOM 819 CB TYR A 53 -2.952 -9.593 8.154 1.00 0.00 C ATOM 820 CG TYR A 53 -1.435 -9.576 8.015 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.772 -10.189 6.930 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.673 -8.971 9.034 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.632 -10.182 6.859 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.732 -8.955 8.966 1.00 0.00 C ATOM 825 CZ TYR A 53 1.391 -9.559 7.872 1.00 0.00 C ATOM 826 OH TYR A 53 2.749 -9.559 7.788 1.00 0.00 O ATOM 0 H TYR A 53 -4.018 -7.798 6.578 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.428 -10.666 6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.257 -8.637 8.579 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.210 -10.362 8.882 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.347 -10.666 6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.173 -8.515 9.876 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.131 -10.655 6.026 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.306 -8.482 9.749 1.00 0.00 H new ATOM 0 HH TYR A 53 3.125 -9.089 8.562 1.00 0.00 H new ATOM 836 N TYR A 54 -6.127 -9.257 7.513 1.00 0.00 N ATOM 837 CA TYR A 54 -7.489 -9.482 7.999 1.00 0.00 C ATOM 838 C TYR A 54 -8.490 -8.827 7.027 1.00 0.00 C ATOM 839 O TYR A 54 -9.292 -7.993 7.444 1.00 0.00 O ATOM 840 CB TYR A 54 -7.621 -8.940 9.442 1.00 0.00 C ATOM 841 CG TYR A 54 -6.461 -9.222 10.387 1.00 0.00 C ATOM 842 CD1 TYR A 54 -5.916 -10.515 10.505 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.901 -8.162 11.126 1.00 0.00 C ATOM 844 CE1 TYR A 54 -4.784 -10.740 11.308 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.776 -8.378 11.941 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.202 -9.666 12.020 1.00 0.00 C ATOM 847 OH TYR A 54 -3.086 -9.866 12.773 1.00 0.00 O ATOM 0 H TYR A 54 -5.929 -8.274 7.327 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.714 -10.548 8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.762 -7.860 9.388 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.527 -9.358 9.881 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.370 -11.339 9.975 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.339 -7.176 11.066 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.360 -11.731 11.381 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.352 -7.561 12.505 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.819 -9.022 13.193 1.00 0.00 H new ATOM 857 N PRO A 55 -8.426 -9.134 5.718 1.00 0.00 N ATOM 858 CA PRO A 55 -9.045 -8.290 4.712 1.00 0.00 C ATOM 859 C PRO A 55 -10.578 -8.320 4.737 1.00 0.00 C ATOM 860 O PRO A 55 -11.216 -9.198 5.318 1.00 0.00 O ATOM 861 CB PRO A 55 -8.484 -8.795 3.381 1.00 0.00 C ATOM 862 CG PRO A 55 -8.183 -10.254 3.634 1.00 0.00 C ATOM 863 CD PRO A 55 -7.701 -10.226 5.082 1.00 0.00 C ATOM 0 HA PRO A 55 -8.812 -7.241 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.205 -8.672 2.573 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.586 -8.247 3.094 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.066 -10.881 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.420 -10.638 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.904 -11.174 5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.624 -10.063 5.133 1.00 0.00 H new ATOM 871 N GLU A 56 -11.138 -7.336 4.029 1.00 0.00 N ATOM 872 CA GLU A 56 -12.535 -7.212 3.642 1.00 0.00 C ATOM 873 C GLU A 56 -12.977 -8.374 2.747 1.00 0.00 C ATOM 874 O GLU A 56 -12.307 -9.384 2.551 1.00 0.00 O ATOM 875 CB GLU A 56 -12.737 -5.863 2.912 1.00 0.00 C ATOM 876 CG GLU A 56 -13.886 -4.970 3.397 1.00 0.00 C ATOM 877 CD GLU A 56 -15.255 -5.396 2.851 1.00 0.00 C ATOM 878 OE1 GLU A 56 -15.309 -5.716 1.638 1.00 0.00 O ATOM 879 OE2 GLU A 56 -16.206 -5.514 3.649 1.00 0.00 O ATOM 0 H GLU A 56 -10.582 -6.551 3.689 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.151 -7.244 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.811 -5.294 2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.894 -6.072 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.915 -4.987 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.688 -3.940 3.099 1.00 0.00 H new ATOM 886 N GLY A 57 -14.141 -8.164 2.164 1.00 0.00 N ATOM 887 CA GLY A 57 -14.959 -9.140 1.471 1.00 0.00 C ATOM 888 C GLY A 57 -15.028 -8.947 -0.025 1.00 0.00 C ATOM 889 O GLY A 57 -15.191 -9.916 -0.762 1.00 0.00 O ATOM 0 H GLY A 57 -14.571 -7.239 2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.569 -10.136 1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.970 -9.103 1.877 1.00 0.00 H new ATOM 893 N ASN A 58 -14.867 -7.705 -0.459 1.00 0.00 N ATOM 894 CA ASN A 58 -14.461 -7.388 -1.827 1.00 0.00 C ATOM 895 C ASN A 58 -12.982 -6.983 -1.846 1.00 0.00 C ATOM 896 O ASN A 58 -12.483 -6.471 -2.852 1.00 0.00 O ATOM 897 CB ASN A 58 -15.373 -6.343 -2.497 1.00 0.00 C ATOM 898 CG ASN A 58 -15.597 -6.648 -3.962 1.00 0.00 C ATOM 899 OD1 ASN A 58 -16.719 -6.833 -4.423 1.00 0.00 O ATOM 900 ND2 ASN A 58 -14.520 -6.680 -4.704 1.00 0.00 N ATOM 0 H ASN A 58 -15.014 -6.884 0.128 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.578 -8.287 -2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.333 -6.314 -1.981 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.927 -5.354 -2.396 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.595 -6.864 -5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.605 -6.521 -4.282 1.00 0.00 H new ATOM 907 N ASN A 59 -12.251 -7.172 -0.741 1.00 0.00 N ATOM 908 CA ASN A 59 -10.801 -7.212 -0.772 1.00 0.00 C ATOM 909 C ASN A 59 -10.396 -8.645 -1.035 1.00 0.00 C ATOM 910 O ASN A 59 -9.935 -9.383 -0.171 1.00 0.00 O ATOM 911 CB ASN A 59 -10.289 -6.626 0.540 1.00 0.00 C ATOM 912 CG ASN A 59 -8.780 -6.468 0.629 1.00 0.00 C ATOM 913 OD1 ASN A 59 -8.046 -6.531 -0.350 1.00 0.00 O ATOM 914 ND2 ASN A 59 -8.314 -6.211 1.840 1.00 0.00 N ATOM 0 H ASN A 59 -12.652 -7.300 0.188 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.357 -6.611 -1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -10.751 -5.650 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -10.621 -7.264 1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.315 -6.058 1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.953 -6.166 2.633 1.00 0.00 H new ATOM 921 N ASP A 60 -10.692 -9.014 -2.274 1.00 0.00 N ATOM 922 CA ASP A 60 -10.809 -10.379 -2.772 1.00 0.00 C ATOM 923 C ASP A 60 -10.200 -10.455 -4.163 1.00 0.00 C ATOM 924 O ASP A 60 -9.592 -11.460 -4.526 1.00 0.00 O ATOM 925 CB ASP A 60 -12.291 -10.816 -2.829 1.00 0.00 C ATOM 926 CG ASP A 60 -13.039 -10.322 -4.083 1.00 0.00 C ATOM 927 OD1 ASP A 60 -13.139 -9.081 -4.254 1.00 0.00 O ATOM 928 OD2 ASP A 60 -13.468 -11.168 -4.896 1.00 0.00 O ATOM 0 H ASP A 60 -10.868 -8.325 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.279 -11.049 -2.095 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.341 -11.904 -2.793 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.804 -10.444 -1.942 1.00 0.00 H new ATOM 933 N GLY A 61 -10.323 -9.363 -4.928 1.00 0.00 N ATOM 934 CA GLY A 61 -10.015 -9.403 -6.345 1.00 0.00 C ATOM 935 C GLY A 61 -8.511 -9.533 -6.546 1.00 0.00 C ATOM 936 O GLY A 61 -8.026 -10.221 -7.447 1.00 0.00 O ATOM 0 H GLY A 61 -10.631 -8.453 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.527 -10.243 -6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.378 -8.497 -6.831 1.00 0.00 H new ATOM 940 N SER A 62 -7.760 -8.797 -5.729 1.00 0.00 N ATOM 941 CA SER A 62 -6.345 -8.651 -5.684 1.00 0.00 C ATOM 942 C SER A 62 -6.066 -7.648 -4.551 1.00 0.00 C ATOM 943 O SER A 62 -6.979 -6.895 -4.190 1.00 0.00 O ATOM 944 CB SER A 62 -5.999 -8.016 -7.018 1.00 0.00 C ATOM 945 OG SER A 62 -5.524 -8.988 -7.919 1.00 0.00 O ATOM 0 H SER A 62 -8.203 -8.230 -5.006 1.00 0.00 H new ATOM 0 HA SER A 62 -5.788 -9.573 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.880 -7.526 -7.433 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.243 -7.244 -6.875 1.00 0.00 H new ATOM 0 HG SER A 62 -6.195 -9.695 -8.022 1.00 0.00 H new ATOM 951 N PRO A 63 -4.805 -7.461 -4.121 1.00 0.00 N ATOM 952 CA PRO A 63 -4.411 -6.351 -3.246 1.00 0.00 C ATOM 953 C PRO A 63 -4.590 -4.963 -3.903 1.00 0.00 C ATOM 954 O PRO A 63 -4.322 -3.927 -3.300 1.00 0.00 O ATOM 955 CB PRO A 63 -2.959 -6.648 -2.872 1.00 0.00 C ATOM 956 CG PRO A 63 -2.428 -7.415 -4.082 1.00 0.00 C ATOM 957 CD PRO A 63 -3.638 -8.249 -4.501 1.00 0.00 C ATOM 0 HA PRO A 63 -5.052 -6.291 -2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.394 -5.732 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.893 -7.241 -1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.103 -6.744 -4.877 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.574 -8.041 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.628 -8.444 -5.573 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.639 -9.218 -4.001 1.00 0.00 H new ATOM 965 N GLU A 64 -5.112 -4.925 -5.128 1.00 0.00 N ATOM 966 CA GLU A 64 -5.750 -3.798 -5.770 1.00 0.00 C ATOM 967 C GLU A 64 -6.737 -3.157 -4.823 1.00 0.00 C ATOM 968 O GLU A 64 -6.712 -1.945 -4.652 1.00 0.00 O ATOM 969 CB GLU A 64 -6.515 -4.331 -6.991 1.00 0.00 C ATOM 970 CG GLU A 64 -5.604 -4.438 -8.210 1.00 0.00 C ATOM 971 CD GLU A 64 -5.432 -3.075 -8.890 1.00 0.00 C ATOM 972 OE1 GLU A 64 -5.663 -2.028 -8.236 1.00 0.00 O ATOM 973 OE2 GLU A 64 -4.954 -2.997 -10.040 1.00 0.00 O ATOM 0 H GLU A 64 -5.094 -5.745 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.003 -3.059 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.935 -5.310 -6.761 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.352 -3.670 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.630 -4.823 -7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.023 -5.152 -8.919 1.00 0.00 H new ATOM 980 N ALA A 65 -7.590 -3.972 -4.205 1.00 0.00 N ATOM 981 CA ALA A 65 -8.605 -3.499 -3.292 1.00 0.00 C ATOM 982 C ALA A 65 -7.972 -2.762 -2.108 1.00 0.00 C ATOM 983 O ALA A 65 -8.558 -1.782 -1.660 1.00 0.00 O ATOM 984 CB ALA A 65 -9.469 -4.690 -2.871 1.00 0.00 C ATOM 0 H ALA A 65 -7.589 -4.984 -4.331 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.250 -2.768 -3.779 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.242 -4.353 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.936 -5.130 -3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.845 -5.437 -2.380 1.00 0.00 H new ATOM 990 N VAL A 66 -6.755 -3.128 -1.679 1.00 0.00 N ATOM 991 CA VAL A 66 -6.043 -2.345 -0.661 1.00 0.00 C ATOM 992 C VAL A 66 -5.661 -0.987 -1.254 1.00 0.00 C ATOM 993 O VAL A 66 -5.907 0.046 -0.653 1.00 0.00 O ATOM 994 CB VAL A 66 -4.778 -3.077 -0.155 1.00 0.00 C ATOM 995 CG1 VAL A 66 -4.093 -2.287 0.951 1.00 0.00 C ATOM 996 CG2 VAL A 66 -5.006 -4.520 0.340 1.00 0.00 C ATOM 0 H VAL A 66 -6.251 -3.948 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.705 -2.210 0.195 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.145 -3.147 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.207 -2.825 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.800 -1.308 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.780 -2.161 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.059 -4.944 0.673 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.712 -4.513 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.409 -5.124 -0.473 1.00 0.00 H new ATOM 1006 N ILE A 67 -5.035 -0.954 -2.429 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.529 0.271 -3.069 1.00 0.00 C ATOM 1008 C ILE A 67 -5.617 1.287 -3.270 1.00 0.00 C ATOM 1009 O ILE A 67 -5.459 2.494 -3.076 1.00 0.00 O ATOM 1010 CB ILE A 67 -3.835 -0.158 -4.393 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.328 -0.115 -4.169 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.177 0.621 -5.665 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.016 -0.935 -2.927 1.00 0.00 C ATOM 0 H ILE A 67 -4.859 -1.794 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.805 0.774 -2.428 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.226 -1.155 -4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.802 -0.518 -5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.990 0.914 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.618 0.209 -6.505 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.245 0.540 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.911 1.670 -5.532 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.942 -0.922 -2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.537 -0.509 -2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.345 -1.963 -3.078 1.00 0.00 H new ATOM 1025 N LYS A 68 -6.723 0.733 -3.683 1.00 0.00 N ATOM 1026 CA LYS A 68 -7.983 1.399 -3.806 1.00 0.00 C ATOM 1027 C LYS A 68 -8.395 1.932 -2.475 1.00 0.00 C ATOM 1028 O LYS A 68 -8.434 3.144 -2.410 1.00 0.00 O ATOM 1029 CB LYS A 68 -8.949 0.485 -4.554 1.00 0.00 C ATOM 1030 CG LYS A 68 -8.372 0.445 -5.989 1.00 0.00 C ATOM 1031 CD LYS A 68 -9.216 -0.160 -7.110 1.00 0.00 C ATOM 1032 CE LYS A 68 -8.656 0.196 -8.508 1.00 0.00 C ATOM 1033 NZ LYS A 68 -7.173 0.172 -8.616 1.00 0.00 N ATOM 0 H LYS A 68 -6.768 -0.249 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.947 2.296 -4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.987 -0.509 -4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.965 0.879 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.130 1.469 -6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.432 -0.106 -5.951 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.248 -1.244 -6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.242 0.199 -7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.070 -0.501 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.009 1.190 -8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.899 0.118 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.780 1.039 -8.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.801 -0.657 -8.110 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.554 1.153 -1.425 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.877 1.705 -0.127 1.00 0.00 C ATOM 1049 C GLU A 69 -7.851 2.714 0.368 1.00 0.00 C ATOM 1050 O GLU A 69 -8.164 3.562 1.173 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.921 0.570 0.881 1.00 0.00 C ATOM 1052 CG GLU A 69 -10.233 0.473 1.692 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.778 1.797 2.286 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.291 2.627 1.496 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.754 1.957 3.526 1.00 0.00 O ATOM 0 H GLU A 69 -8.465 0.137 -1.445 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.833 2.218 -0.228 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.766 -0.371 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.089 0.687 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.002 0.046 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.077 -0.230 2.511 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.606 2.683 -0.084 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.624 3.611 0.355 1.00 0.00 C ATOM 1064 C ILE A 70 -5.999 4.940 -0.293 1.00 0.00 C ATOM 1065 O ILE A 70 -6.108 5.944 0.413 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.223 3.157 0.041 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.761 1.979 0.921 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.355 4.375 0.293 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.618 1.332 2.015 1.00 0.00 C ATOM 0 H ILE A 70 -6.267 2.005 -0.766 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.616 3.707 1.441 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.160 2.789 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.488 1.177 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.843 2.307 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.313 4.129 0.087 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.671 5.189 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.455 4.684 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.058 0.524 2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.875 2.080 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.531 0.932 1.573 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.155 4.966 -1.631 1.00 0.00 N ATOM 1082 CA LYS A 71 -6.735 6.158 -2.255 1.00 0.00 C ATOM 1083 C LYS A 71 -8.002 6.548 -1.521 1.00 0.00 C ATOM 1084 O LYS A 71 -8.133 7.716 -1.160 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.214 5.954 -3.696 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.198 5.831 -4.819 1.00 0.00 C ATOM 1087 CD LYS A 71 -6.527 4.671 -5.779 1.00 0.00 C ATOM 1088 CE LYS A 71 -7.998 4.383 -6.156 1.00 0.00 C ATOM 1089 NZ LYS A 71 -8.885 5.556 -6.299 1.00 0.00 N ATOM 0 H LYS A 71 -5.900 4.212 -2.269 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.931 6.894 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.826 5.052 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.871 6.789 -3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.164 6.765 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.206 5.678 -4.394 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.982 4.851 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.119 3.760 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.007 3.832 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.422 3.725 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.814 5.248 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.001 6.019 -5.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.466 6.228 -6.972 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.934 5.610 -1.370 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.284 5.986 -1.124 1.00 0.00 C ATOM 1105 C GLU A 72 -10.495 6.381 0.342 1.00 0.00 C ATOM 1106 O GLU A 72 -11.145 7.395 0.602 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.101 4.820 -1.667 1.00 0.00 C ATOM 1108 CG GLU A 72 -11.947 5.200 -2.888 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.090 5.449 -4.151 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -10.345 6.456 -4.226 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.125 4.648 -5.117 1.00 0.00 O ATOM 0 H GLU A 72 -8.763 4.605 -1.416 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.608 6.896 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.428 4.006 -1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.756 4.445 -0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.664 4.404 -3.091 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.523 6.097 -2.661 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.825 5.711 1.281 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.629 6.149 2.647 1.00 0.00 C ATOM 1120 C TRP A 73 -9.006 7.528 2.680 1.00 0.00 C ATOM 1121 O TRP A 73 -9.605 8.395 3.310 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.821 5.150 3.440 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.823 5.417 4.900 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.713 4.932 5.784 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.910 6.237 5.653 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -9.381 5.361 7.055 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -8.288 6.207 7.025 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.789 6.995 5.285 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -7.566 6.910 8.002 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -6.071 7.702 6.252 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -6.448 7.662 7.590 1.00 0.00 C ATOM 0 H TRP A 73 -9.388 4.809 1.093 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.607 6.213 3.125 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.216 4.150 3.260 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.793 5.156 3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.557 4.304 5.538 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.877 5.089 7.904 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.480 7.032 4.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.859 6.875 9.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.212 8.287 5.957 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.877 8.214 8.322 1.00 0.00 H new ATOM 1142 N ARG A 74 -7.834 7.785 2.061 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.228 9.111 2.156 1.00 0.00 C ATOM 1144 C ARG A 74 -8.175 10.165 1.585 1.00 0.00 C ATOM 1145 O ARG A 74 -8.282 11.226 2.196 1.00 0.00 O ATOM 1146 CB ARG A 74 -5.859 9.133 1.467 1.00 0.00 C ATOM 1147 CG ARG A 74 -4.860 8.136 2.076 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.251 8.495 3.438 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.444 9.734 3.551 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.123 9.803 3.360 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -1.534 9.046 2.454 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.381 10.609 4.099 1.00 0.00 N ATOM 0 H ARG A 74 -7.309 7.108 1.508 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.061 9.351 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.988 8.907 0.408 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.443 10.139 1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.361 7.173 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.044 8.000 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.067 8.565 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.622 7.661 3.749 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.933 10.596 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.088 8.400 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.525 9.107 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.816 11.184 4.821 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.373 10.656 3.948 1.00 0.00 H new ATOM 1166 N ALA A 75 -8.882 9.875 0.490 1.00 0.00 N ATOM 1167 CA ALA A 75 -9.823 10.769 -0.150 1.00 0.00 C ATOM 1168 C ALA A 75 -11.007 11.085 0.759 1.00 0.00 C ATOM 1169 O ALA A 75 -11.354 12.257 0.903 1.00 0.00 O ATOM 1170 CB ALA A 75 -10.290 10.186 -1.489 1.00 0.00 C ATOM 0 H ALA A 75 -8.805 8.976 0.015 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.311 11.711 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.997 10.871 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.431 10.047 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.775 9.225 -1.318 1.00 0.00 H new ATOM 1176 N ALA A 76 -11.608 10.077 1.399 1.00 0.00 N ATOM 1177 CA ALA A 76 -12.642 10.271 2.411 1.00 0.00 C ATOM 1178 C ALA A 76 -12.083 11.088 3.581 1.00 0.00 C ATOM 1179 O ALA A 76 -12.747 11.985 4.097 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.165 8.910 2.884 1.00 0.00 C ATOM 0 H ALA A 76 -11.386 9.097 1.225 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.475 10.826 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.937 9.059 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.586 8.368 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.345 8.334 3.312 1.00 0.00 H new ATOM 1186 N ASN A 77 -10.835 10.811 3.965 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.052 11.616 4.907 1.00 0.00 C ATOM 1188 C ASN A 77 -9.762 13.053 4.423 1.00 0.00 C ATOM 1189 O ASN A 77 -9.232 13.842 5.208 1.00 0.00 O ATOM 1190 CB ASN A 77 -8.717 10.910 5.217 1.00 0.00 C ATOM 1191 CG ASN A 77 -8.553 10.529 6.672 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -7.821 11.176 7.420 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -9.188 9.439 7.067 1.00 0.00 N ATOM 0 H ASN A 77 -10.326 9.997 3.620 1.00 0.00 H new ATOM 0 HA ASN A 77 -10.668 11.706 5.802 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.641 10.011 4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.895 11.564 4.927 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.080 9.105 8.025 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.786 8.932 6.414 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.052 13.406 3.164 1.00 0.00 N ATOM 1201 CA GLY A 78 -9.905 14.738 2.574 1.00 0.00 C ATOM 1202 C GLY A 78 -8.630 14.946 1.742 1.00 0.00 C ATOM 1203 O GLY A 78 -8.347 16.073 1.335 1.00 0.00 O ATOM 0 H GLY A 78 -10.416 12.729 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.770 14.935 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.922 15.477 3.375 1.00 0.00 H new ATOM 1207 N LYS A 79 -7.815 13.910 1.533 1.00 0.00 N ATOM 1208 CA LYS A 79 -6.412 13.956 1.161 1.00 0.00 C ATOM 1209 C LYS A 79 -6.180 13.104 -0.088 1.00 0.00 C ATOM 1210 O LYS A 79 -6.928 12.169 -0.346 1.00 0.00 O ATOM 1211 CB LYS A 79 -5.642 13.424 2.386 1.00 0.00 C ATOM 1212 CG LYS A 79 -6.059 14.210 3.643 1.00 0.00 C ATOM 1213 CD LYS A 79 -5.232 14.011 4.922 1.00 0.00 C ATOM 1214 CE LYS A 79 -5.941 12.934 5.751 1.00 0.00 C ATOM 1215 NZ LYS A 79 -5.503 12.837 7.151 1.00 0.00 N ATOM 0 H LYS A 79 -8.149 12.951 1.628 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.073 14.961 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.848 12.363 2.524 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.569 13.522 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.041 15.271 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.094 13.953 3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.215 13.704 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.158 14.943 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.013 13.132 5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.788 11.968 5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.837 11.940 7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.464 12.870 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.897 13.632 7.694 1.00 0.00 H new ATOM 1229 N SER A 80 -5.161 13.419 -0.887 1.00 0.00 N ATOM 1230 CA SER A 80 -4.983 12.734 -2.162 1.00 0.00 C ATOM 1231 C SER A 80 -4.525 11.288 -1.956 1.00 0.00 C ATOM 1232 O SER A 80 -3.801 10.975 -1.006 1.00 0.00 O ATOM 1233 CB SER A 80 -3.979 13.503 -3.035 1.00 0.00 C ATOM 1234 OG SER A 80 -3.971 13.018 -4.364 1.00 0.00 O ATOM 0 H SER A 80 -4.460 14.130 -0.678 1.00 0.00 H new ATOM 0 HA SER A 80 -5.945 12.704 -2.673 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.232 14.563 -3.035 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.980 13.414 -2.608 1.00 0.00 H new ATOM 0 HG SER A 80 -3.433 12.200 -4.411 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.892 10.442 -2.920 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.241 9.178 -3.195 1.00 0.00 C ATOM 1242 C GLY A 81 -3.045 9.469 -4.105 1.00 0.00 C ATOM 1243 O GLY A 81 -2.627 10.623 -4.261 1.00 0.00 O ATOM 0 H GLY A 81 -5.675 10.631 -3.545 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.913 8.705 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.932 8.487 -3.678 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.499 8.421 -4.712 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.428 8.497 -5.689 1.00 0.00 C ATOM 1249 C PHE A 82 -1.849 9.247 -6.942 1.00 0.00 C ATOM 1250 O PHE A 82 -3.004 9.661 -7.102 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.888 7.084 -6.009 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.411 5.946 -5.168 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -2.616 5.317 -5.516 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -0.707 5.529 -4.030 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -3.103 4.261 -4.731 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -1.206 4.477 -3.253 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.409 3.846 -3.588 1.00 0.00 C ATOM 0 H PHE A 82 -2.803 7.465 -4.529 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.614 9.075 -5.251 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.111 6.864 -7.053 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.197 7.106 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.167 5.645 -6.385 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.216 6.017 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.020 3.764 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.655 4.148 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.798 3.048 -2.972 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.891 9.368 -7.864 1.00 0.00 N ATOM 1268 CA LYS A 83 -1.101 9.671 -9.249 1.00 0.00 C ATOM 1269 C LYS A 83 -2.346 8.936 -9.704 1.00 0.00 C ATOM 1270 O LYS A 83 -2.494 7.724 -9.546 1.00 0.00 O ATOM 1271 CB LYS A 83 0.135 9.180 -9.965 1.00 0.00 C ATOM 1272 CG LYS A 83 0.288 9.653 -11.402 1.00 0.00 C ATOM 1273 CD LYS A 83 -0.339 8.604 -12.307 1.00 0.00 C ATOM 1274 CE LYS A 83 0.473 7.303 -12.406 1.00 0.00 C ATOM 1275 NZ LYS A 83 -0.061 6.415 -13.460 1.00 0.00 N ATOM 0 H LYS A 83 0.096 9.248 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.250 10.732 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.012 9.498 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.129 8.090 -9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.200 10.618 -11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.341 9.790 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.338 8.370 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.458 9.024 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.516 7.538 -12.620 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.453 6.785 -11.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.508 5.545 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.049 6.172 -13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.019 6.902 -14.378 1.00 0.00 H new