USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 604 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 55 ASN : amide:sc= -0.801 K(o=-0.8,f=-2.1!) USER MOD Set 1.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 CYS SG : rot -80:sc= 1.14 USER MOD Set 2.2: A 36 LYS NZ :NH3+ 148:sc= 0.229 (180deg=-0.476) USER MOD Single : A 7 SER OG : rot -159:sc= 1.36 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0.686 USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0.00551 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 89:sc= 0.333 USER MOD Single : A 16 LYS NZ :NH3+ 162:sc= 1.94 (180deg=1.08) USER MOD Single : A 18 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0737 USER MOD Single : A 28 HIS : no HD1:sc= -2.27! C(o=-2.3!,f=-3.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 2.35 (180deg=2.34) USER MOD Single : A 37 GLN : amide:sc=-0.00131 X(o=-0.0013,f=-0.0013) USER MOD Single : A 39 MET CE :methyl 153:sc= -0.603 (180deg=-1.08) USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.03) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 36:sc= 2.09 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.251 F(o=-2.2!,f=-0.25) USER MOD Single : A 54 THR OG1 : rot 75:sc= 0.423 USER MOD Single : A 57 GLN : amide:sc= -1.01 K(o=-1,f=-5.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0226 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 1.26 (180deg=1.13) USER MOD Single : A 63 THR OG1 : rot 2:sc= 1.1 USER MOD Single : A 66 ASN : amide:sc= 1.04 K(o=1,f=-0.33) USER MOD Single : A 71 LYS NZ :NH3+ 174:sc= 0.226 (180deg=0.0802) USER MOD Single : A 72 ASN : amide:sc= -0.0979 K(o=-0.098,f=-4.2!) USER MOD Single : A 73 SER OG : rot 180:sc= -0.338 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0466 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.204 4.412 -2.360 1.00 0.00 N ATOM 79 CA SER A 7 -13.480 3.217 -2.084 1.00 0.00 C ATOM 80 C SER A 7 -12.177 3.580 -1.445 1.00 0.00 C ATOM 81 O SER A 7 -11.393 4.334 -2.009 1.00 0.00 O ATOM 82 CB SER A 7 -13.283 2.411 -3.355 1.00 0.00 C ATOM 83 OG SER A 7 -14.534 2.110 -3.933 1.00 0.00 O ATOM 0 HA SER A 7 -14.043 2.588 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.672 2.973 -4.061 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.745 1.490 -3.132 1.00 0.00 H new ATOM 0 HG SER A 7 -14.440 1.343 -4.535 1.00 0.00 H new ATOM 89 N CYS A 8 -11.961 3.092 -0.258 1.00 0.00 N ATOM 90 CA CYS A 8 -10.791 3.449 0.468 1.00 0.00 C ATOM 91 C CYS A 8 -10.317 2.321 1.345 1.00 0.00 C ATOM 92 O CYS A 8 -11.124 1.576 1.911 1.00 0.00 O ATOM 93 CB CYS A 8 -11.034 4.740 1.269 1.00 0.00 C ATOM 94 SG CYS A 8 -12.561 4.750 2.242 1.00 0.00 S ATOM 0 H CYS A 8 -12.585 2.445 0.223 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.990 3.643 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.190 4.899 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.054 5.582 0.577 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.664 5.880 2.876 1.00 0.00 H new ATOM 100 N VAL A 9 -9.027 2.183 1.432 1.00 0.00 N ATOM 101 CA VAL A 9 -8.404 1.178 2.259 1.00 0.00 C ATOM 102 C VAL A 9 -7.805 1.881 3.445 1.00 0.00 C ATOM 103 O VAL A 9 -7.217 2.965 3.291 1.00 0.00 O ATOM 104 CB VAL A 9 -7.254 0.417 1.512 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.566 -0.591 2.422 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.758 -0.283 0.268 1.00 0.00 C ATOM 0 H VAL A 9 -8.364 2.770 0.926 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.160 0.445 2.540 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.528 1.173 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.775 -1.099 1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.135 -0.073 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.294 -1.324 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.931 -0.798 -0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.525 -1.007 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.182 0.452 -0.416 1.00 0.00 H new ATOM 116 N HIS A 10 -7.987 1.310 4.606 1.00 0.00 N ATOM 117 CA HIS A 10 -7.395 1.833 5.805 1.00 0.00 C ATOM 118 C HIS A 10 -5.997 1.318 5.879 1.00 0.00 C ATOM 119 O HIS A 10 -5.779 0.125 6.069 1.00 0.00 O ATOM 120 CB HIS A 10 -8.176 1.420 7.061 1.00 0.00 C ATOM 121 CG HIS A 10 -9.514 2.070 7.202 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.778 3.089 8.092 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.682 1.827 6.558 1.00 0.00 C ATOM 124 CE1 HIS A 10 -11.059 3.423 7.967 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.659 2.688 7.046 1.00 0.00 N ATOM 0 H HIS A 10 -8.549 0.470 4.746 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.413 2.922 5.769 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.311 0.338 7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.577 1.657 7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.830 1.083 5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.547 4.195 8.544 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.635 2.741 6.754 1.00 0.00 H new ATOM 133 N TYR A 11 -5.062 2.173 5.689 1.00 0.00 N ATOM 134 CA TYR A 11 -3.700 1.761 5.686 1.00 0.00 C ATOM 135 C TYR A 11 -2.944 2.570 6.691 1.00 0.00 C ATOM 136 O TYR A 11 -3.211 3.757 6.848 1.00 0.00 O ATOM 137 CB TYR A 11 -3.082 1.923 4.277 1.00 0.00 C ATOM 138 CG TYR A 11 -2.782 3.358 3.829 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.761 4.160 3.274 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.493 3.893 3.949 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.468 5.442 2.847 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.204 5.168 3.533 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.189 5.937 2.980 1.00 0.00 C ATOM 144 OH TYR A 11 -1.889 7.210 2.540 1.00 0.00 O ATOM 0 H TYR A 11 -5.212 3.170 5.532 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.641 0.706 5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.154 1.353 4.243 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.760 1.473 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.767 3.781 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.709 3.288 4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.242 6.055 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.204 5.562 3.642 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.943 7.401 2.711 1.00 0.00 H new ATOM 154 N LYS A 12 -2.052 1.966 7.406 1.00 0.00 N ATOM 155 CA LYS A 12 -1.246 2.744 8.283 1.00 0.00 C ATOM 156 C LYS A 12 0.213 2.506 8.024 1.00 0.00 C ATOM 157 O LYS A 12 0.692 1.376 8.016 1.00 0.00 O ATOM 158 CB LYS A 12 -1.642 2.644 9.766 1.00 0.00 C ATOM 159 CG LYS A 12 -1.360 1.362 10.498 1.00 0.00 C ATOM 160 CD LYS A 12 -1.780 1.550 11.942 1.00 0.00 C ATOM 161 CE LYS A 12 -1.429 0.370 12.814 1.00 0.00 C ATOM 162 NZ LYS A 12 -1.808 0.616 14.221 1.00 0.00 N ATOM 0 H LYS A 12 -1.867 0.963 7.401 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.447 3.789 8.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.136 3.449 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.712 2.838 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.908 0.535 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.301 1.113 10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.302 2.445 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.856 1.718 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.939 -0.521 12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.359 0.174 12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.170 0.088 14.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.735 1.633 14.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.787 0.301 14.377 1.00 0.00 H new ATOM 176 N PHE A 13 0.883 3.581 7.744 1.00 0.00 N ATOM 177 CA PHE A 13 2.281 3.589 7.392 1.00 0.00 C ATOM 178 C PHE A 13 3.098 3.594 8.679 1.00 0.00 C ATOM 179 O PHE A 13 2.549 3.731 9.749 1.00 0.00 O ATOM 180 CB PHE A 13 2.565 4.903 6.619 1.00 0.00 C ATOM 181 CG PHE A 13 3.603 4.804 5.538 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.945 4.609 5.824 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.220 4.894 4.228 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.870 4.497 4.815 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.138 4.789 3.220 1.00 0.00 C ATOM 186 CZ PHE A 13 5.459 4.585 3.509 1.00 0.00 C ATOM 0 H PHE A 13 0.464 4.511 7.753 1.00 0.00 H new ATOM 0 HA PHE A 13 2.539 2.721 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.633 5.251 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.880 5.664 7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.267 4.544 6.853 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.179 5.050 3.987 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.913 4.341 5.048 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.818 4.868 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.179 4.493 2.709 1.00 0.00 H new ATOM 196 N SER A 14 4.386 3.450 8.577 1.00 0.00 N ATOM 197 CA SER A 14 5.257 3.653 9.710 1.00 0.00 C ATOM 198 C SER A 14 5.176 5.138 10.158 1.00 0.00 C ATOM 199 O SER A 14 5.383 5.470 11.320 1.00 0.00 O ATOM 200 CB SER A 14 6.676 3.293 9.305 1.00 0.00 C ATOM 201 OG SER A 14 6.725 1.972 8.771 1.00 0.00 O ATOM 0 H SER A 14 4.866 3.190 7.715 1.00 0.00 H new ATOM 0 HA SER A 14 4.952 3.021 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.040 4.004 8.564 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.336 3.367 10.169 1.00 0.00 H new ATOM 0 HG SER A 14 7.646 1.757 8.514 1.00 0.00 H new ATOM 207 N SER A 15 4.853 6.005 9.204 1.00 0.00 N ATOM 208 CA SER A 15 4.693 7.423 9.434 1.00 0.00 C ATOM 209 C SER A 15 3.274 7.723 9.990 1.00 0.00 C ATOM 210 O SER A 15 3.035 8.754 10.600 1.00 0.00 O ATOM 211 CB SER A 15 4.879 8.119 8.095 1.00 0.00 C ATOM 212 OG SER A 15 5.927 7.490 7.360 1.00 0.00 O ATOM 0 H SER A 15 4.694 5.730 8.235 1.00 0.00 H new ATOM 0 HA SER A 15 5.421 7.776 10.164 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.951 8.082 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.115 9.171 8.252 1.00 0.00 H new ATOM 0 HG SER A 15 5.555 6.764 6.817 1.00 0.00 H new ATOM 218 N LYS A 16 2.351 6.795 9.773 1.00 0.00 N ATOM 219 CA LYS A 16 0.968 6.950 10.211 1.00 0.00 C ATOM 220 C LYS A 16 0.669 5.964 11.317 1.00 0.00 C ATOM 221 O LYS A 16 0.454 4.787 11.067 1.00 0.00 O ATOM 222 CB LYS A 16 -0.052 6.775 9.049 1.00 0.00 C ATOM 223 CG LYS A 16 -0.294 8.013 8.161 1.00 0.00 C ATOM 224 CD LYS A 16 0.932 8.447 7.376 1.00 0.00 C ATOM 225 CE LYS A 16 0.699 9.772 6.646 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.305 9.699 5.551 1.00 0.00 N ATOM 0 H LYS A 16 2.538 5.916 9.290 1.00 0.00 H new ATOM 0 HA LYS A 16 0.857 7.970 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.291 5.959 8.413 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.007 6.467 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.104 7.797 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.625 8.841 8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.780 8.549 8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.193 7.674 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.376 10.520 7.370 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.647 10.117 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.631 10.658 5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.128 9.263 4.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.115 9.125 5.861 1.00 0.00 H new ATOM 240 N LEU A 17 0.672 6.449 12.534 1.00 0.00 N ATOM 241 CA LEU A 17 0.445 5.610 13.712 1.00 0.00 C ATOM 242 C LEU A 17 -0.964 5.039 13.700 1.00 0.00 C ATOM 243 O LEU A 17 -1.207 3.913 14.133 1.00 0.00 O ATOM 244 CB LEU A 17 0.711 6.391 15.019 1.00 0.00 C ATOM 245 CG LEU A 17 2.168 6.859 15.295 1.00 0.00 C ATOM 246 CD1 LEU A 17 3.144 5.696 15.241 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.604 7.981 14.355 1.00 0.00 C ATOM 0 H LEU A 17 0.830 7.433 12.749 1.00 0.00 H new ATOM 0 HA LEU A 17 1.152 4.781 13.673 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.069 7.272 15.020 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.395 5.766 15.854 1.00 0.00 H new ATOM 0 HG LEU A 17 2.179 7.264 16.307 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.153 6.058 15.438 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.870 4.956 15.993 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.110 5.238 14.253 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.628 8.273 14.587 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.551 7.633 13.324 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.944 8.839 14.482 1.00 0.00 H new ATOM 259 N ASN A 18 -1.866 5.811 13.173 1.00 0.00 N ATOM 260 CA ASN A 18 -3.231 5.396 13.002 1.00 0.00 C ATOM 261 C ASN A 18 -3.528 5.313 11.526 1.00 0.00 C ATOM 262 O ASN A 18 -2.729 5.793 10.706 1.00 0.00 O ATOM 263 CB ASN A 18 -4.211 6.327 13.717 1.00 0.00 C ATOM 264 CG ASN A 18 -4.044 7.775 13.340 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.629 8.253 12.371 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.276 8.493 14.117 1.00 0.00 N ATOM 0 H ASN A 18 -1.676 6.758 12.845 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.362 4.415 13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.230 6.015 13.488 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.080 6.222 14.794 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.146 9.487 13.928 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.807 8.059 14.912 1.00 0.00 H new ATOM 273 N TYR A 19 -4.654 4.743 11.179 1.00 0.00 N ATOM 274 CA TYR A 19 -4.969 4.490 9.790 1.00 0.00 C ATOM 275 C TYR A 19 -5.262 5.730 9.003 1.00 0.00 C ATOM 276 O TYR A 19 -5.750 6.731 9.524 1.00 0.00 O ATOM 277 CB TYR A 19 -6.082 3.458 9.629 1.00 0.00 C ATOM 278 CG TYR A 19 -5.688 2.097 10.137 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.970 1.227 9.334 1.00 0.00 C ATOM 280 CD2 TYR A 19 -6.004 1.691 11.423 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.577 -0.008 9.793 1.00 0.00 C ATOM 282 CE2 TYR A 19 -5.611 0.459 11.894 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.896 -0.390 11.076 1.00 0.00 C ATOM 284 OH TYR A 19 -4.499 -1.622 11.547 1.00 0.00 O ATOM 0 H TYR A 19 -5.372 4.443 11.839 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.058 4.069 9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.968 3.799 10.164 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.354 3.384 8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.714 1.524 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.567 2.351 12.066 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.021 -0.675 9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.862 0.158 12.901 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.805 -1.733 12.471 1.00 0.00 H new ATOM 294 N ASP A 20 -4.903 5.654 7.772 1.00 0.00 N ATOM 295 CA ASP A 20 -5.134 6.676 6.800 1.00 0.00 C ATOM 296 C ASP A 20 -5.946 5.992 5.709 1.00 0.00 C ATOM 297 O ASP A 20 -6.167 4.775 5.791 1.00 0.00 O ATOM 298 CB ASP A 20 -3.792 7.150 6.243 1.00 0.00 C ATOM 299 CG ASP A 20 -3.833 8.528 5.618 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.774 8.841 4.843 1.00 0.00 O ATOM 301 OD2 ASP A 20 -2.901 9.324 5.868 1.00 0.00 O ATOM 0 H ASP A 20 -4.417 4.842 7.391 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.649 7.545 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.057 7.150 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.448 6.434 5.496 1.00 0.00 H new ATOM 306 N THR A 21 -6.352 6.697 4.706 1.00 0.00 N ATOM 307 CA THR A 21 -7.203 6.126 3.694 1.00 0.00 C ATOM 308 C THR A 21 -6.787 6.487 2.273 1.00 0.00 C ATOM 309 O THR A 21 -6.586 7.655 1.949 1.00 0.00 O ATOM 310 CB THR A 21 -8.674 6.524 3.920 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.760 7.907 4.350 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.364 5.599 4.916 1.00 0.00 C ATOM 0 H THR A 21 -6.111 7.677 4.557 1.00 0.00 H new ATOM 0 HA THR A 21 -7.093 5.046 3.795 1.00 0.00 H new ATOM 0 HB THR A 21 -9.198 6.420 2.970 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.700 8.149 4.489 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.399 5.913 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.340 4.576 4.539 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.846 5.645 5.874 1.00 0.00 H new ATOM 320 N VAL A 22 -6.626 5.469 1.449 1.00 0.00 N ATOM 321 CA VAL A 22 -6.400 5.664 0.020 1.00 0.00 C ATOM 322 C VAL A 22 -7.702 5.548 -0.715 1.00 0.00 C ATOM 323 O VAL A 22 -8.324 4.495 -0.703 1.00 0.00 O ATOM 324 CB VAL A 22 -5.389 4.659 -0.628 1.00 0.00 C ATOM 325 CG1 VAL A 22 -3.970 5.149 -0.517 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.513 3.264 -0.017 1.00 0.00 C ATOM 0 H VAL A 22 -6.647 4.492 1.742 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.960 6.658 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.646 4.594 -1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.298 4.425 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.875 6.108 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.708 5.270 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.796 2.594 -0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.309 3.316 1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.523 2.886 -0.175 1.00 0.00 H new ATOM 336 N THR A 23 -8.129 6.617 -1.304 1.00 0.00 N ATOM 337 CA THR A 23 -9.308 6.618 -2.092 1.00 0.00 C ATOM 338 C THR A 23 -8.967 6.178 -3.512 1.00 0.00 C ATOM 339 O THR A 23 -8.060 6.739 -4.154 1.00 0.00 O ATOM 340 CB THR A 23 -9.942 8.010 -2.064 1.00 0.00 C ATOM 341 OG1 THR A 23 -8.895 8.999 -2.101 1.00 0.00 O ATOM 342 CG2 THR A 23 -10.777 8.198 -0.803 1.00 0.00 C ATOM 0 H THR A 23 -7.661 7.521 -1.248 1.00 0.00 H new ATOM 0 HA THR A 23 -10.035 5.914 -1.687 1.00 0.00 H new ATOM 0 HB THR A 23 -10.597 8.120 -2.928 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.291 9.895 -2.085 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.218 9.195 -0.804 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.570 7.450 -0.777 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.141 8.084 0.075 1.00 0.00 H new ATOM 350 N PHE A 24 -9.647 5.163 -3.979 1.00 0.00 N ATOM 351 CA PHE A 24 -9.380 4.586 -5.264 1.00 0.00 C ATOM 352 C PHE A 24 -10.704 4.196 -5.889 1.00 0.00 C ATOM 353 O PHE A 24 -11.749 4.352 -5.261 1.00 0.00 O ATOM 354 CB PHE A 24 -8.444 3.354 -5.110 1.00 0.00 C ATOM 355 CG PHE A 24 -9.052 2.204 -4.337 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.077 2.211 -2.955 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.606 1.123 -5.001 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.642 1.171 -2.262 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.166 0.086 -4.305 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.183 0.113 -2.938 1.00 0.00 C ATOM 0 H PHE A 24 -10.408 4.712 -3.471 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.873 5.303 -5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.161 3.001 -6.102 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.528 3.668 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.648 3.043 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.596 1.098 -6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.660 1.188 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.594 -0.752 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.626 -0.705 -2.390 1.00 0.00 H new ATOM 370 N ASP A 25 -10.673 3.712 -7.095 1.00 0.00 N ATOM 371 CA ASP A 25 -11.883 3.296 -7.776 1.00 0.00 C ATOM 372 C ASP A 25 -11.996 1.787 -7.827 1.00 0.00 C ATOM 373 O ASP A 25 -11.005 1.088 -8.065 1.00 0.00 O ATOM 374 CB ASP A 25 -11.947 3.886 -9.188 1.00 0.00 C ATOM 375 CG ASP A 25 -12.970 3.193 -10.073 1.00 0.00 C ATOM 376 OD1 ASP A 25 -14.182 3.439 -9.927 1.00 0.00 O ATOM 377 OD2 ASP A 25 -12.561 2.389 -10.934 1.00 0.00 O ATOM 0 H ASP A 25 -9.819 3.591 -7.639 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.729 3.678 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.190 4.947 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.963 3.812 -9.652 1.00 0.00 H new ATOM 382 N GLY A 26 -13.178 1.292 -7.564 1.00 0.00 N ATOM 383 CA GLY A 26 -13.421 -0.112 -7.661 1.00 0.00 C ATOM 384 C GLY A 26 -13.700 -0.739 -6.331 1.00 0.00 C ATOM 385 O GLY A 26 -14.306 -0.115 -5.452 1.00 0.00 O ATOM 0 H GLY A 26 -13.985 1.848 -7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.267 -0.286 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.556 -0.597 -8.113 1.00 0.00 H new ATOM 389 N LEU A 27 -13.302 -1.968 -6.188 1.00 0.00 N ATOM 390 CA LEU A 27 -13.473 -2.704 -4.957 1.00 0.00 C ATOM 391 C LEU A 27 -12.097 -2.944 -4.362 1.00 0.00 C ATOM 392 O LEU A 27 -11.885 -2.825 -3.145 1.00 0.00 O ATOM 393 CB LEU A 27 -14.221 -4.044 -5.258 1.00 0.00 C ATOM 394 CG LEU A 27 -14.698 -4.931 -4.068 1.00 0.00 C ATOM 395 CD1 LEU A 27 -13.551 -5.657 -3.381 1.00 0.00 C ATOM 396 CD2 LEU A 27 -15.481 -4.101 -3.062 1.00 0.00 C ATOM 0 H LEU A 27 -12.843 -2.500 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.075 -2.148 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.097 -3.803 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.565 -4.654 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.352 -5.696 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.941 -6.259 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.048 -6.304 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.841 -4.928 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.805 -4.738 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.846 -3.304 -2.676 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.353 -3.666 -3.550 1.00 0.00 H new ATOM 408 N HIS A 28 -11.162 -3.243 -5.224 1.00 0.00 N ATOM 409 CA HIS A 28 -9.808 -3.520 -4.830 1.00 0.00 C ATOM 410 C HIS A 28 -8.813 -2.904 -5.747 1.00 0.00 C ATOM 411 O HIS A 28 -9.118 -2.581 -6.904 1.00 0.00 O ATOM 412 CB HIS A 28 -9.523 -5.020 -4.620 1.00 0.00 C ATOM 413 CG HIS A 28 -10.260 -5.976 -5.502 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.883 -7.099 -5.013 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.473 -5.979 -6.841 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.450 -7.733 -6.030 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.232 -7.095 -7.171 1.00 0.00 N ATOM 0 H HIS A 28 -11.321 -3.301 -6.230 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.694 -3.047 -3.855 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.454 -5.185 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.753 -5.268 -3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.112 -5.236 -7.537 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -12.015 -8.649 -5.940 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.555 -7.367 -8.100 1.00 0.00 H new ATOM 425 N ILE A 29 -7.641 -2.727 -5.232 1.00 0.00 N ATOM 426 CA ILE A 29 -6.573 -2.124 -5.942 1.00 0.00 C ATOM 427 C ILE A 29 -5.326 -3.007 -5.877 1.00 0.00 C ATOM 428 O ILE A 29 -4.961 -3.497 -4.811 1.00 0.00 O ATOM 429 CB ILE A 29 -6.302 -0.677 -5.405 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.089 -0.071 -6.069 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.152 -0.652 -3.879 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.957 1.425 -5.874 1.00 0.00 C ATOM 0 H ILE A 29 -7.398 -3.006 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.851 -2.030 -6.992 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.173 -0.072 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.195 -0.557 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.129 -0.285 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.965 0.370 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.068 -1.021 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.316 -1.287 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.061 1.780 -6.382 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.832 1.925 -6.290 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.883 1.648 -4.810 1.00 0.00 H new ATOM 444 N SER A 30 -4.738 -3.271 -7.030 1.00 0.00 N ATOM 445 CA SER A 30 -3.516 -4.053 -7.131 1.00 0.00 C ATOM 446 C SER A 30 -2.386 -3.355 -6.385 1.00 0.00 C ATOM 447 O SER A 30 -2.345 -2.136 -6.329 1.00 0.00 O ATOM 448 CB SER A 30 -3.142 -4.230 -8.597 1.00 0.00 C ATOM 449 OG SER A 30 -4.222 -4.802 -9.315 1.00 0.00 O ATOM 0 H SER A 30 -5.096 -2.948 -7.929 1.00 0.00 H new ATOM 0 HA SER A 30 -3.680 -5.033 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.878 -3.266 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.262 -4.868 -8.680 1.00 0.00 H new ATOM 0 HG SER A 30 -3.969 -4.909 -10.256 1.00 0.00 H new ATOM 455 N LEU A 31 -1.489 -4.132 -5.836 1.00 0.00 N ATOM 456 CA LEU A 31 -0.390 -3.658 -5.029 1.00 0.00 C ATOM 457 C LEU A 31 0.488 -2.668 -5.767 1.00 0.00 C ATOM 458 O LEU A 31 0.913 -1.681 -5.183 1.00 0.00 O ATOM 459 CB LEU A 31 0.439 -4.827 -4.497 1.00 0.00 C ATOM 460 CG LEU A 31 1.605 -4.460 -3.591 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.124 -3.693 -2.387 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.332 -5.694 -3.150 1.00 0.00 C ATOM 0 H LEU A 31 -1.502 -5.147 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.826 -3.126 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.224 -5.497 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.828 -5.388 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 31 2.288 -3.828 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.974 -3.441 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.630 -2.778 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.420 -4.305 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.163 -5.415 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.648 -6.343 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.714 -6.223 -4.023 1.00 0.00 H new ATOM 474 N CYS A 32 0.768 -2.936 -7.036 1.00 0.00 N ATOM 475 CA CYS A 32 1.535 -2.005 -7.850 1.00 0.00 C ATOM 476 C CYS A 32 0.852 -0.636 -7.834 1.00 0.00 C ATOM 477 O CYS A 32 1.470 0.371 -7.527 1.00 0.00 O ATOM 478 CB CYS A 32 1.610 -2.514 -9.292 1.00 0.00 C ATOM 479 SG CYS A 32 2.663 -1.533 -10.378 1.00 0.00 S ATOM 0 H CYS A 32 0.477 -3.785 -7.521 1.00 0.00 H new ATOM 0 HA CYS A 32 2.543 -1.921 -7.444 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.976 -3.541 -9.283 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.603 -2.538 -9.708 1.00 0.00 H new ATOM 0 HG CYS A 32 2.016 -0.477 -10.772 1.00 0.00 H new ATOM 485 N ASP A 33 -0.445 -0.644 -8.030 1.00 0.00 N ATOM 486 CA ASP A 33 -1.243 0.570 -8.070 1.00 0.00 C ATOM 487 C ASP A 33 -1.328 1.190 -6.686 1.00 0.00 C ATOM 488 O ASP A 33 -1.173 2.395 -6.526 1.00 0.00 O ATOM 489 CB ASP A 33 -2.653 0.256 -8.601 1.00 0.00 C ATOM 490 CG ASP A 33 -2.687 -0.125 -10.057 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.398 -1.299 -10.387 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.031 0.733 -10.906 1.00 0.00 O ATOM 0 H ASP A 33 -0.986 -1.498 -8.168 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.765 1.283 -8.741 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.079 -0.557 -8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.290 1.127 -8.449 1.00 0.00 H new ATOM 497 N LEU A 34 -1.528 0.340 -5.696 1.00 0.00 N ATOM 498 CA LEU A 34 -1.658 0.733 -4.294 1.00 0.00 C ATOM 499 C LEU A 34 -0.397 1.450 -3.825 1.00 0.00 C ATOM 500 O LEU A 34 -0.468 2.531 -3.225 1.00 0.00 O ATOM 501 CB LEU A 34 -1.986 -0.546 -3.446 1.00 0.00 C ATOM 502 CG LEU A 34 -2.094 -0.472 -1.892 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.741 -0.340 -1.223 1.00 0.00 C ATOM 504 CD2 LEU A 34 -3.027 0.634 -1.437 1.00 0.00 C ATOM 0 H LEU A 34 -1.607 -0.666 -5.841 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.476 1.442 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.934 -0.939 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.222 -1.288 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.523 -1.423 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.873 -0.293 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.124 -1.202 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.251 0.570 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.071 0.648 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.657 1.594 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.025 0.456 -1.838 1.00 0.00 H new ATOM 516 N LYS A 35 0.751 0.876 -4.140 1.00 0.00 N ATOM 517 CA LYS A 35 2.004 1.468 -3.762 1.00 0.00 C ATOM 518 C LYS A 35 2.223 2.763 -4.503 1.00 0.00 C ATOM 519 O LYS A 35 2.683 3.709 -3.927 1.00 0.00 O ATOM 520 CB LYS A 35 3.183 0.528 -3.979 1.00 0.00 C ATOM 521 CG LYS A 35 3.130 -0.744 -3.153 1.00 0.00 C ATOM 522 CD LYS A 35 4.365 -1.618 -3.365 1.00 0.00 C ATOM 523 CE LYS A 35 4.537 -2.094 -4.788 1.00 0.00 C ATOM 524 NZ LYS A 35 5.731 -2.951 -4.925 1.00 0.00 N ATOM 0 H LYS A 35 0.832 0.000 -4.657 1.00 0.00 H new ATOM 0 HA LYS A 35 1.948 1.671 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.229 0.260 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.105 1.061 -3.745 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.045 -0.487 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.236 -1.310 -3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.251 -1.056 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.303 -2.485 -2.707 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.651 -2.648 -5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.625 -1.235 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.901 -3.151 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.557 -2.462 -4.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.577 -3.844 -4.415 1.00 0.00 H new ATOM 538 N LYS A 36 1.833 2.809 -5.771 1.00 0.00 N ATOM 539 CA LYS A 36 1.981 4.024 -6.578 1.00 0.00 C ATOM 540 C LYS A 36 1.186 5.187 -5.997 1.00 0.00 C ATOM 541 O LYS A 36 1.649 6.334 -6.034 1.00 0.00 O ATOM 542 CB LYS A 36 1.596 3.780 -8.046 1.00 0.00 C ATOM 543 CG LYS A 36 2.756 3.404 -8.980 1.00 0.00 C ATOM 544 CD LYS A 36 3.556 2.211 -8.493 1.00 0.00 C ATOM 545 CE LYS A 36 4.572 1.765 -9.521 1.00 0.00 C ATOM 546 NZ LYS A 36 3.934 1.332 -10.784 1.00 0.00 N ATOM 0 H LYS A 36 1.412 2.023 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 36 3.036 4.295 -6.550 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.852 2.984 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.118 4.680 -8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.359 3.186 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.422 4.261 -9.084 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.066 2.469 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.880 1.386 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.262 2.583 -9.726 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.162 0.944 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.563 1.551 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.759 0.307 -10.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.031 1.833 -10.907 1.00 0.00 H new ATOM 560 N GLN A 37 0.014 4.888 -5.449 1.00 0.00 N ATOM 561 CA GLN A 37 -0.811 5.900 -4.798 1.00 0.00 C ATOM 562 C GLN A 37 -0.080 6.441 -3.570 1.00 0.00 C ATOM 563 O GLN A 37 0.091 7.644 -3.400 1.00 0.00 O ATOM 564 CB GLN A 37 -2.155 5.305 -4.321 1.00 0.00 C ATOM 565 CG GLN A 37 -3.027 4.666 -5.394 1.00 0.00 C ATOM 566 CD GLN A 37 -3.450 5.620 -6.484 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.775 5.762 -7.496 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.570 6.267 -6.298 1.00 0.00 N ATOM 0 H GLN A 37 -0.388 3.950 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.001 6.690 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.946 4.555 -3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.729 6.097 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.484 3.834 -5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.917 4.248 -4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.106 6.123 -5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.908 6.916 -7.009 1.00 0.00 H new ATOM 577 N ILE A 38 0.389 5.528 -2.748 1.00 0.00 N ATOM 578 CA ILE A 38 1.008 5.872 -1.482 1.00 0.00 C ATOM 579 C ILE A 38 2.405 6.485 -1.659 1.00 0.00 C ATOM 580 O ILE A 38 2.741 7.461 -0.996 1.00 0.00 O ATOM 581 CB ILE A 38 1.077 4.647 -0.542 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.327 4.070 -0.322 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.695 5.045 0.790 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.355 2.806 0.508 1.00 0.00 C ATOM 0 H ILE A 38 0.353 4.526 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 38 0.373 6.631 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 38 1.701 3.883 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.945 4.824 0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.779 3.864 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.739 4.175 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.703 5.426 0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.087 5.820 1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.384 2.464 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.234 2.033 0.014 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.065 3.008 1.493 1.00 0.00 H new ATOM 596 N MET A 39 3.194 5.928 -2.572 1.00 0.00 N ATOM 597 CA MET A 39 4.560 6.408 -2.819 1.00 0.00 C ATOM 598 C MET A 39 4.541 7.847 -3.249 1.00 0.00 C ATOM 599 O MET A 39 5.308 8.660 -2.739 1.00 0.00 O ATOM 600 CB MET A 39 5.314 5.578 -3.877 1.00 0.00 C ATOM 601 CG MET A 39 5.641 4.140 -3.490 1.00 0.00 C ATOM 602 SD MET A 39 6.583 3.317 -4.793 1.00 0.00 S ATOM 603 CE MET A 39 6.989 1.756 -4.013 1.00 0.00 C ATOM 0 H MET A 39 2.915 5.141 -3.158 1.00 0.00 H new ATOM 0 HA MET A 39 5.093 6.299 -1.874 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.718 5.561 -4.789 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.246 6.090 -4.115 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.212 4.130 -2.562 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.718 3.591 -3.302 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.123 0.991 -4.778 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.911 1.863 -3.442 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.180 1.463 -3.344 1.00 0.00 H new ATOM 613 N GLY A 40 3.627 8.167 -4.147 1.00 0.00 N ATOM 614 CA GLY A 40 3.507 9.518 -4.624 1.00 0.00 C ATOM 615 C GLY A 40 2.972 10.441 -3.558 1.00 0.00 C ATOM 616 O GLY A 40 3.372 11.600 -3.471 1.00 0.00 O ATOM 0 H GLY A 40 2.963 7.508 -4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.482 9.874 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.846 9.541 -5.490 1.00 0.00 H new ATOM 620 N ARG A 41 2.105 9.912 -2.723 1.00 0.00 N ATOM 621 CA ARG A 41 1.487 10.682 -1.674 1.00 0.00 C ATOM 622 C ARG A 41 2.460 11.015 -0.555 1.00 0.00 C ATOM 623 O ARG A 41 2.540 12.150 -0.112 1.00 0.00 O ATOM 624 CB ARG A 41 0.284 9.954 -1.092 1.00 0.00 C ATOM 625 CG ARG A 41 -0.385 10.756 -0.004 1.00 0.00 C ATOM 626 CD ARG A 41 -1.614 10.088 0.553 1.00 0.00 C ATOM 627 NE ARG A 41 -2.348 11.021 1.402 1.00 0.00 N ATOM 628 CZ ARG A 41 -3.283 10.713 2.290 1.00 0.00 C ATOM 629 NH1 ARG A 41 -3.517 9.455 2.608 1.00 0.00 N ATOM 630 NH2 ARG A 41 -3.955 11.689 2.899 1.00 0.00 N ATOM 0 H ARG A 41 1.811 8.936 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 41 1.159 11.615 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.435 9.748 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.601 8.991 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.327 10.925 0.804 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.658 11.735 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.252 9.745 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.330 9.207 1.128 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.118 12.010 1.302 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.977 8.709 2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.238 9.228 3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.748 12.664 2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.676 11.462 3.584 1.00 0.00 H new ATOM 644 N GLU A 42 3.207 10.037 -0.113 1.00 0.00 N ATOM 645 CA GLU A 42 4.085 10.223 1.029 1.00 0.00 C ATOM 646 C GLU A 42 5.474 10.662 0.610 1.00 0.00 C ATOM 647 O GLU A 42 6.356 10.870 1.454 1.00 0.00 O ATOM 648 CB GLU A 42 4.208 8.958 1.813 1.00 0.00 C ATOM 649 CG GLU A 42 2.926 8.428 2.444 1.00 0.00 C ATOM 650 CD GLU A 42 2.290 9.395 3.415 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.958 9.840 4.367 1.00 0.00 O ATOM 652 OE2 GLU A 42 1.089 9.695 3.273 1.00 0.00 O ATOM 0 H GLU A 42 3.230 9.102 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 42 3.636 11.004 1.642 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.611 8.186 1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.939 9.116 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.211 8.194 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.144 7.495 2.963 1.00 0.00 H new ATOM 659 N LYS A 43 5.661 10.769 -0.680 1.00 0.00 N ATOM 660 CA LYS A 43 6.906 11.206 -1.317 1.00 0.00 C ATOM 661 C LYS A 43 8.017 10.171 -1.085 1.00 0.00 C ATOM 662 O LYS A 43 8.961 10.404 -0.316 1.00 0.00 O ATOM 663 CB LYS A 43 7.386 12.630 -0.849 1.00 0.00 C ATOM 664 CG LYS A 43 6.285 13.677 -0.587 1.00 0.00 C ATOM 665 CD LYS A 43 5.222 13.666 -1.655 1.00 0.00 C ATOM 666 CE LYS A 43 4.208 14.785 -1.462 1.00 0.00 C ATOM 667 NZ LYS A 43 3.449 14.669 -0.190 1.00 0.00 N ATOM 0 H LYS A 43 4.929 10.548 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 43 6.691 11.287 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.967 12.510 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.062 13.028 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.826 13.483 0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.734 14.669 -0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.691 13.766 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.708 12.705 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.725 15.744 -1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.508 14.782 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.520 15.124 -0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.317 13.665 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.978 15.137 0.574 1.00 0.00 H new ATOM 681 N LEU A 44 7.856 9.004 -1.670 1.00 0.00 N ATOM 682 CA LEU A 44 8.851 7.945 -1.528 1.00 0.00 C ATOM 683 C LEU A 44 9.850 7.891 -2.674 1.00 0.00 C ATOM 684 O LEU A 44 9.694 8.556 -3.710 1.00 0.00 O ATOM 685 CB LEU A 44 8.231 6.547 -1.353 1.00 0.00 C ATOM 686 CG LEU A 44 7.856 6.116 0.067 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.704 6.920 0.616 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.549 4.632 0.103 1.00 0.00 C ATOM 0 H LEU A 44 7.052 8.758 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 44 9.381 8.216 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.333 6.497 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.932 5.815 -1.753 1.00 0.00 H new ATOM 0 HG LEU A 44 8.714 6.312 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.472 6.581 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.976 7.975 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.830 6.786 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.284 4.340 1.119 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.716 4.417 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.426 4.071 -0.219 1.00 0.00 H new ATOM 700 N LYS A 45 10.872 7.088 -2.471 1.00 0.00 N ATOM 701 CA LYS A 45 11.882 6.813 -3.457 1.00 0.00 C ATOM 702 C LYS A 45 11.769 5.343 -3.897 1.00 0.00 C ATOM 703 O LYS A 45 12.203 4.429 -3.194 1.00 0.00 O ATOM 704 CB LYS A 45 13.289 7.151 -2.912 1.00 0.00 C ATOM 705 CG LYS A 45 13.590 6.562 -1.542 1.00 0.00 C ATOM 706 CD LYS A 45 15.019 6.812 -1.091 1.00 0.00 C ATOM 707 CE LYS A 45 15.357 8.279 -0.926 1.00 0.00 C ATOM 708 NZ LYS A 45 16.726 8.442 -0.400 1.00 0.00 N ATOM 0 H LYS A 45 11.023 6.597 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 45 11.726 7.446 -4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.036 6.792 -3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.394 8.235 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.904 6.988 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.404 5.488 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.186 6.301 -0.143 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.702 6.370 -1.816 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.268 8.788 -1.886 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.643 8.748 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.939 9.454 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.800 7.974 0.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.405 8.013 -1.061 1.00 0.00 H new ATOM 722 N ALA A 46 11.178 5.125 -5.048 1.00 0.00 N ATOM 723 CA ALA A 46 10.885 3.774 -5.526 1.00 0.00 C ATOM 724 C ALA A 46 12.087 3.126 -6.209 1.00 0.00 C ATOM 725 O ALA A 46 12.054 1.951 -6.578 1.00 0.00 O ATOM 726 CB ALA A 46 9.677 3.796 -6.446 1.00 0.00 C ATOM 0 H ALA A 46 10.884 5.867 -5.684 1.00 0.00 H new ATOM 0 HA ALA A 46 10.655 3.159 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.468 2.785 -6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.813 4.178 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.882 4.441 -7.301 1.00 0.00 H new ATOM 732 N ALA A 47 13.139 3.887 -6.393 1.00 0.00 N ATOM 733 CA ALA A 47 14.362 3.356 -6.975 1.00 0.00 C ATOM 734 C ALA A 47 15.307 2.892 -5.877 1.00 0.00 C ATOM 735 O ALA A 47 16.367 2.323 -6.141 1.00 0.00 O ATOM 736 CB ALA A 47 15.040 4.399 -7.852 1.00 0.00 C ATOM 0 H ALA A 47 13.179 4.877 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 47 14.103 2.502 -7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.952 3.980 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.366 4.691 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 47 15.288 5.274 -7.251 1.00 0.00 H new ATOM 742 N ASP A 48 14.910 3.118 -4.650 1.00 0.00 N ATOM 743 CA ASP A 48 15.740 2.775 -3.506 1.00 0.00 C ATOM 744 C ASP A 48 14.974 1.952 -2.492 1.00 0.00 C ATOM 745 O ASP A 48 15.533 1.097 -1.798 1.00 0.00 O ATOM 746 CB ASP A 48 16.233 4.038 -2.844 1.00 0.00 C ATOM 747 CG ASP A 48 17.104 3.765 -1.645 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.278 3.359 -1.815 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.631 3.949 -0.508 1.00 0.00 O ATOM 0 H ASP A 48 14.013 3.540 -4.409 1.00 0.00 H new ATOM 0 HA ASP A 48 16.580 2.182 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.794 4.628 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.378 4.640 -2.537 1.00 0.00 H new ATOM 754 N CYS A 49 13.705 2.172 -2.423 1.00 0.00 N ATOM 755 CA CYS A 49 12.900 1.517 -1.462 1.00 0.00 C ATOM 756 C CYS A 49 11.650 0.938 -2.121 1.00 0.00 C ATOM 757 O CYS A 49 11.233 1.380 -3.198 1.00 0.00 O ATOM 758 CB CYS A 49 12.505 2.518 -0.360 1.00 0.00 C ATOM 759 SG CYS A 49 13.883 3.237 0.591 1.00 0.00 S ATOM 0 H CYS A 49 13.200 2.813 -3.035 1.00 0.00 H new ATOM 0 HA CYS A 49 13.465 0.697 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.942 3.331 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.831 2.017 0.335 1.00 0.00 H new ATOM 0 HG CYS A 49 14.900 3.429 -0.196 1.00 0.00 H new ATOM 765 N ASP A 50 11.081 -0.046 -1.487 1.00 0.00 N ATOM 766 CA ASP A 50 9.844 -0.638 -1.920 1.00 0.00 C ATOM 767 C ASP A 50 8.875 -0.458 -0.810 1.00 0.00 C ATOM 768 O ASP A 50 9.265 -0.201 0.345 1.00 0.00 O ATOM 769 CB ASP A 50 9.978 -2.141 -2.250 1.00 0.00 C ATOM 770 CG ASP A 50 8.717 -2.738 -2.904 1.00 0.00 C ATOM 771 OD1 ASP A 50 7.975 -1.982 -3.596 1.00 0.00 O ATOM 772 OD2 ASP A 50 8.445 -3.954 -2.750 1.00 0.00 O ATOM 0 H ASP A 50 11.467 -0.467 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 50 9.520 -0.153 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.827 -2.285 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.197 -2.689 -1.333 1.00 0.00 H new ATOM 777 N LEU A 51 7.661 -0.589 -1.109 1.00 0.00 N ATOM 778 CA LEU A 51 6.662 -0.385 -0.161 1.00 0.00 C ATOM 779 C LEU A 51 6.067 -1.739 0.172 1.00 0.00 C ATOM 780 O LEU A 51 5.416 -2.364 -0.648 1.00 0.00 O ATOM 781 CB LEU A 51 5.661 0.606 -0.738 1.00 0.00 C ATOM 782 CG LEU A 51 4.655 1.187 0.198 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.360 1.856 1.347 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.791 2.190 -0.527 1.00 0.00 C ATOM 0 H LEU A 51 7.323 -0.846 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 51 7.030 0.046 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.220 1.428 -1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.123 0.110 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 51 4.021 0.387 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.623 2.280 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.967 1.123 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.002 2.651 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.060 2.608 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.416 2.991 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.272 1.696 -1.349 1.00 0.00 H new ATOM 796 N GLN A 52 6.354 -2.223 1.338 1.00 0.00 N ATOM 797 CA GLN A 52 5.936 -3.530 1.700 1.00 0.00 C ATOM 798 C GLN A 52 4.684 -3.441 2.498 1.00 0.00 C ATOM 799 O GLN A 52 4.650 -2.866 3.586 1.00 0.00 O ATOM 800 CB GLN A 52 7.008 -4.269 2.468 1.00 0.00 C ATOM 801 CG GLN A 52 7.124 -5.733 2.066 1.00 0.00 C ATOM 802 CD GLN A 52 7.836 -5.959 0.712 1.00 0.00 C ATOM 803 OE1 GLN A 52 7.776 -5.004 -0.192 1.00 0.00 O flip ATOM 804 NE2 GLN A 52 8.451 -6.989 0.504 1.00 0.00 N flip ATOM 0 H GLN A 52 6.880 -1.725 2.057 1.00 0.00 H new ATOM 0 HA GLN A 52 5.749 -4.098 0.789 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.967 -3.777 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.792 -4.207 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.666 -6.271 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.125 -6.166 2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.485 -7.716 1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.933 -7.125 -0.385 1.00 0.00 H new ATOM 813 N ILE A 53 3.665 -3.986 1.965 1.00 0.00 N ATOM 814 CA ILE A 53 2.379 -3.891 2.564 1.00 0.00 C ATOM 815 C ILE A 53 2.054 -5.231 3.197 1.00 0.00 C ATOM 816 O ILE A 53 2.244 -6.288 2.571 1.00 0.00 O ATOM 817 CB ILE A 53 1.315 -3.534 1.492 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.797 -2.384 0.583 1.00 0.00 C ATOM 819 CG2 ILE A 53 -0.026 -3.182 2.121 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.092 -1.079 1.264 1.00 0.00 C ATOM 0 H ILE A 53 3.689 -4.517 1.094 1.00 0.00 H new ATOM 0 HA ILE A 53 2.374 -3.107 3.321 1.00 0.00 H new ATOM 0 HB ILE A 53 1.175 -4.424 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.699 -2.712 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.038 -2.209 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.743 -2.938 1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.392 -4.032 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.096 -2.323 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.422 -0.349 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.191 -0.714 1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.878 -1.225 2.005 1.00 0.00 H new ATOM 832 N THR A 54 1.638 -5.203 4.421 1.00 0.00 N ATOM 833 CA THR A 54 1.298 -6.396 5.142 1.00 0.00 C ATOM 834 C THR A 54 -0.133 -6.276 5.683 1.00 0.00 C ATOM 835 O THR A 54 -0.552 -5.193 6.061 1.00 0.00 O ATOM 836 CB THR A 54 2.288 -6.575 6.316 1.00 0.00 C ATOM 837 OG1 THR A 54 3.636 -6.426 5.821 1.00 0.00 O ATOM 838 CG2 THR A 54 2.140 -7.947 6.957 1.00 0.00 C ATOM 0 H THR A 54 1.522 -4.344 4.959 1.00 0.00 H new ATOM 0 HA THR A 54 1.358 -7.259 4.479 1.00 0.00 H new ATOM 0 HB THR A 54 2.071 -5.819 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.819 -5.478 5.651 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.849 -8.043 7.779 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.125 -8.063 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.339 -8.719 6.214 1.00 0.00 H new ATOM 846 N ASN A 55 -0.882 -7.362 5.658 1.00 0.00 N ATOM 847 CA ASN A 55 -2.209 -7.405 6.226 1.00 0.00 C ATOM 848 C ASN A 55 -2.170 -7.133 7.710 1.00 0.00 C ATOM 849 O ASN A 55 -1.431 -7.787 8.449 1.00 0.00 O ATOM 850 CB ASN A 55 -2.833 -8.764 6.010 1.00 0.00 C ATOM 851 CG ASN A 55 -3.511 -8.959 4.672 1.00 0.00 C ATOM 852 OD1 ASN A 55 -2.907 -9.420 3.714 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.776 -8.637 4.612 1.00 0.00 N ATOM 0 H ASN A 55 -0.582 -8.243 5.240 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.801 -6.637 5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.058 -9.523 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.565 -8.939 6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.295 -8.768 3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.245 -8.255 5.434 1.00 0.00 H new ATOM 860 N ALA A 56 -2.987 -6.207 8.155 1.00 0.00 N ATOM 861 CA ALA A 56 -3.042 -5.839 9.556 1.00 0.00 C ATOM 862 C ALA A 56 -3.675 -6.952 10.369 1.00 0.00 C ATOM 863 O ALA A 56 -3.359 -7.144 11.544 1.00 0.00 O ATOM 864 CB ALA A 56 -3.834 -4.557 9.733 1.00 0.00 C ATOM 0 H ALA A 56 -3.632 -5.687 7.560 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.024 -5.678 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.867 -4.293 10.790 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.356 -3.754 9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.849 -4.702 9.364 1.00 0.00 H new ATOM 870 N GLN A 57 -4.551 -7.687 9.738 1.00 0.00 N ATOM 871 CA GLN A 57 -5.284 -8.746 10.393 1.00 0.00 C ATOM 872 C GLN A 57 -4.531 -10.063 10.353 1.00 0.00 C ATOM 873 O GLN A 57 -4.187 -10.620 11.389 1.00 0.00 O ATOM 874 CB GLN A 57 -6.661 -8.913 9.734 1.00 0.00 C ATOM 875 CG GLN A 57 -7.559 -7.682 9.833 1.00 0.00 C ATOM 876 CD GLN A 57 -8.015 -7.361 11.246 1.00 0.00 C ATOM 877 OE1 GLN A 57 -7.337 -7.664 12.225 1.00 0.00 O ATOM 878 NE2 GLN A 57 -9.142 -6.727 11.364 1.00 0.00 N ATOM 0 H GLN A 57 -4.780 -7.570 8.751 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.407 -8.466 11.439 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.520 -9.161 8.682 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.171 -9.758 10.195 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.024 -6.822 9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.437 -7.834 9.205 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.683 -6.489 10.533 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.486 -6.467 12.288 1.00 0.00 H new ATOM 887 N THR A 58 -4.225 -10.518 9.167 1.00 0.00 N ATOM 888 CA THR A 58 -3.681 -11.844 8.985 1.00 0.00 C ATOM 889 C THR A 58 -2.150 -11.859 9.035 1.00 0.00 C ATOM 890 O THR A 58 -1.537 -12.921 9.194 1.00 0.00 O ATOM 891 CB THR A 58 -4.151 -12.400 7.620 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.578 -11.617 6.579 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.653 -12.272 7.489 1.00 0.00 C ATOM 0 H THR A 58 -4.343 -9.987 8.304 1.00 0.00 H new ATOM 0 HA THR A 58 -4.042 -12.465 9.805 1.00 0.00 H new ATOM 0 HB THR A 58 -3.850 -13.445 7.552 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.870 -11.964 5.710 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.969 -12.667 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.137 -12.834 8.287 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.936 -11.222 7.561 1.00 0.00 H new ATOM 901 N LYS A 59 -1.541 -10.670 8.936 1.00 0.00 N ATOM 902 CA LYS A 59 -0.094 -10.517 8.816 1.00 0.00 C ATOM 903 C LYS A 59 0.460 -11.138 7.543 1.00 0.00 C ATOM 904 O LYS A 59 1.646 -11.407 7.441 1.00 0.00 O ATOM 905 CB LYS A 59 0.665 -10.978 10.063 1.00 0.00 C ATOM 906 CG LYS A 59 0.842 -9.891 11.119 1.00 0.00 C ATOM 907 CD LYS A 59 -0.459 -9.348 11.676 1.00 0.00 C ATOM 908 CE LYS A 59 -0.180 -8.217 12.656 1.00 0.00 C ATOM 909 NZ LYS A 59 -1.403 -7.730 13.326 1.00 0.00 N ATOM 0 H LYS A 59 -2.046 -9.784 8.937 1.00 0.00 H new ATOM 0 HA LYS A 59 0.079 -9.444 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.135 -11.820 10.508 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.648 -11.343 9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.437 -10.291 11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.410 -9.068 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.089 -8.987 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.010 -10.145 12.176 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.530 -8.560 13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.293 -7.390 12.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.282 -6.730 13.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.213 -7.824 12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.577 -8.292 14.183 1.00 0.00 H new ATOM 923 N GLU A 60 -0.403 -11.308 6.560 1.00 0.00 N ATOM 924 CA GLU A 60 -0.004 -11.785 5.258 1.00 0.00 C ATOM 925 C GLU A 60 0.701 -10.648 4.538 1.00 0.00 C ATOM 926 O GLU A 60 0.139 -9.557 4.380 1.00 0.00 O ATOM 927 CB GLU A 60 -1.242 -12.211 4.470 1.00 0.00 C ATOM 928 CG GLU A 60 -0.977 -12.802 3.096 1.00 0.00 C ATOM 929 CD GLU A 60 -0.113 -14.033 3.146 1.00 0.00 C ATOM 930 OE1 GLU A 60 -0.452 -14.983 3.886 1.00 0.00 O ATOM 931 OE2 GLU A 60 0.895 -14.090 2.422 1.00 0.00 O ATOM 0 H GLU A 60 -1.401 -11.118 6.646 1.00 0.00 H new ATOM 0 HA GLU A 60 0.663 -12.642 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.792 -12.944 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.892 -11.344 4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.927 -13.050 2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.495 -12.051 2.470 1.00 0.00 H new ATOM 938 N GLU A 61 1.909 -10.871 4.152 1.00 0.00 N ATOM 939 CA GLU A 61 2.646 -9.875 3.461 1.00 0.00 C ATOM 940 C GLU A 61 2.435 -10.095 1.985 1.00 0.00 C ATOM 941 O GLU A 61 2.745 -11.156 1.459 1.00 0.00 O ATOM 942 CB GLU A 61 4.106 -9.971 3.805 1.00 0.00 C ATOM 943 CG GLU A 61 4.884 -8.711 3.529 1.00 0.00 C ATOM 944 CD GLU A 61 6.281 -8.780 4.078 1.00 0.00 C ATOM 945 OE1 GLU A 61 6.454 -8.506 5.274 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.227 -9.073 3.330 1.00 0.00 O ATOM 0 H GLU A 61 2.411 -11.745 4.306 1.00 0.00 H new ATOM 0 HA GLU A 61 2.306 -8.880 3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.204 -10.223 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.549 -10.791 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.925 -8.539 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.363 -7.860 3.968 1.00 0.00 H new ATOM 953 N TYR A 62 1.886 -9.109 1.343 1.00 0.00 N ATOM 954 CA TYR A 62 1.532 -9.163 -0.064 1.00 0.00 C ATOM 955 C TYR A 62 2.724 -9.525 -0.952 1.00 0.00 C ATOM 956 O TYR A 62 2.707 -10.539 -1.630 1.00 0.00 O ATOM 957 CB TYR A 62 0.904 -7.844 -0.451 1.00 0.00 C ATOM 958 CG TYR A 62 -0.469 -7.621 0.187 1.00 0.00 C ATOM 959 CD1 TYR A 62 -0.603 -7.076 1.457 1.00 0.00 C ATOM 960 CD2 TYR A 62 -1.626 -7.973 -0.484 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.847 -6.893 2.026 1.00 0.00 C ATOM 962 CE2 TYR A 62 -2.868 -7.795 0.071 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.979 -7.256 1.323 1.00 0.00 C ATOM 964 OH TYR A 62 -4.226 -7.069 1.875 1.00 0.00 O ATOM 0 H TYR A 62 1.662 -8.217 1.784 1.00 0.00 H new ATOM 0 HA TYR A 62 0.810 -9.964 -0.222 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.570 -7.032 -0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.805 -7.800 -1.536 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.281 -6.791 2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -1.550 -8.400 -1.473 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.935 -6.468 3.015 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.754 -8.079 -0.478 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.912 -7.378 1.246 1.00 0.00 H new ATOM 974 N THR A 63 3.691 -8.651 -0.982 1.00 0.00 N ATOM 975 CA THR A 63 5.024 -8.797 -1.600 1.00 0.00 C ATOM 976 C THR A 63 5.031 -8.715 -3.123 1.00 0.00 C ATOM 977 O THR A 63 5.941 -8.136 -3.730 1.00 0.00 O ATOM 978 CB THR A 63 5.861 -10.034 -1.100 1.00 0.00 C ATOM 979 OG1 THR A 63 5.199 -11.290 -1.367 1.00 0.00 O ATOM 980 CG2 THR A 63 6.132 -9.930 0.374 1.00 0.00 C ATOM 0 H THR A 63 3.580 -7.736 -0.545 1.00 0.00 H new ATOM 0 HA THR A 63 5.539 -7.909 -1.232 1.00 0.00 H new ATOM 0 HB THR A 63 6.799 -10.017 -1.655 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.362 -11.123 -1.849 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.711 -10.794 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.695 -9.019 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.187 -9.902 0.917 1.00 0.00 H new ATOM 988 N ASP A 64 4.019 -9.250 -3.705 1.00 0.00 N ATOM 989 CA ASP A 64 3.900 -9.364 -5.136 1.00 0.00 C ATOM 990 C ASP A 64 3.104 -8.202 -5.617 1.00 0.00 C ATOM 991 O ASP A 64 2.047 -7.941 -5.070 1.00 0.00 O ATOM 992 CB ASP A 64 3.134 -10.611 -5.434 1.00 0.00 C ATOM 993 CG ASP A 64 3.396 -11.148 -6.802 1.00 0.00 C ATOM 994 OD1 ASP A 64 4.408 -11.844 -7.013 1.00 0.00 O ATOM 995 OD2 ASP A 64 2.592 -10.891 -7.688 1.00 0.00 O ATOM 0 H ASP A 64 3.223 -9.635 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 64 4.879 -9.389 -5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.390 -11.372 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.068 -10.409 -5.328 1.00 0.00 H new ATOM 1000 N ASP A 65 3.552 -7.532 -6.651 1.00 0.00 N ATOM 1001 CA ASP A 65 2.876 -6.309 -7.137 1.00 0.00 C ATOM 1002 C ASP A 65 1.477 -6.612 -7.675 1.00 0.00 C ATOM 1003 O ASP A 65 0.644 -5.708 -7.848 1.00 0.00 O ATOM 1004 CB ASP A 65 3.694 -5.581 -8.216 1.00 0.00 C ATOM 1005 CG ASP A 65 5.054 -5.079 -7.759 1.00 0.00 C ATOM 1006 OD1 ASP A 65 6.057 -5.826 -7.853 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.156 -3.914 -7.322 1.00 0.00 O ATOM 0 H ASP A 65 4.380 -7.796 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 65 2.788 -5.652 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.837 -6.256 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.114 -4.733 -8.581 1.00 0.00 H new ATOM 1012 N ASN A 66 1.224 -7.881 -7.891 1.00 0.00 N ATOM 1013 CA ASN A 66 -0.032 -8.371 -8.424 1.00 0.00 C ATOM 1014 C ASN A 66 -0.980 -8.716 -7.306 1.00 0.00 C ATOM 1015 O ASN A 66 -2.094 -9.173 -7.548 1.00 0.00 O ATOM 1016 CB ASN A 66 0.207 -9.627 -9.238 1.00 0.00 C ATOM 1017 CG ASN A 66 1.213 -9.435 -10.326 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.871 -9.070 -11.455 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.451 -9.681 -10.006 1.00 0.00 N ATOM 0 H ASN A 66 1.899 -8.621 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.462 -7.587 -9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.544 -10.424 -8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.736 -9.954 -9.676 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.189 -9.574 -10.702 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.683 -9.980 -9.059 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.528 -8.566 -6.080 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.378 -8.807 -4.950 1.00 0.00 C ATOM 1028 C ALA A 67 -2.374 -7.676 -4.861 1.00 0.00 C ATOM 1029 O ALA A 67 -2.045 -6.579 -5.199 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.571 -8.950 -3.687 1.00 0.00 C ATOM 0 H ALA A 67 0.423 -8.279 -5.847 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.914 -9.748 -5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.240 -9.132 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.119 -9.787 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.007 -8.034 -3.510 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.568 -7.931 -4.452 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.593 -6.904 -4.492 1.00 0.00 C ATOM 1038 C LEU A 68 -5.096 -6.571 -3.103 1.00 0.00 C ATOM 1039 O LEU A 68 -5.240 -7.476 -2.256 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.725 -7.345 -5.423 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.567 -8.518 -4.934 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.794 -8.020 -4.223 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.913 -9.474 -6.058 1.00 0.00 C ATOM 0 H LEU A 68 -3.874 -8.832 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.160 -5.986 -4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.385 -6.494 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.294 -7.609 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.971 -9.087 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.385 -8.869 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.498 -7.414 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.390 -7.415 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.513 -10.295 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.479 -8.945 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.996 -9.871 -6.493 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.295 -5.303 -2.831 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.841 -4.909 -1.552 1.00 0.00 C ATOM 1057 C ILE A 69 -7.232 -4.289 -1.769 1.00 0.00 C ATOM 1058 O ILE A 69 -7.371 -3.289 -2.469 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.953 -3.889 -0.732 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.513 -4.377 -0.491 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.602 -3.592 0.616 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.592 -4.321 -1.686 1.00 0.00 C ATOM 0 H ILE A 69 -5.090 -4.534 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.882 -5.820 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.893 -2.989 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.076 -3.780 0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.553 -5.406 -0.135 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.982 -2.889 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.589 -3.158 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.700 -4.517 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.605 -4.688 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.995 -4.943 -2.485 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.510 -3.291 -2.034 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.269 -4.927 -1.250 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.634 -4.409 -1.305 1.00 0.00 C ATOM 1076 C PRO A 70 -9.932 -3.365 -0.232 1.00 0.00 C ATOM 1077 O PRO A 70 -9.284 -3.317 0.816 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.474 -5.654 -1.053 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.611 -6.502 -0.182 1.00 0.00 C ATOM 1080 CD PRO A 70 -8.207 -6.251 -0.608 1.00 0.00 C ATOM 0 HA PRO A 70 -9.829 -3.900 -2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.416 -5.407 -0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.723 -6.163 -1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.750 -6.246 0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.867 -7.556 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.524 -6.253 0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.856 -7.016 -1.301 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.975 -2.559 -0.471 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.439 -1.558 0.510 1.00 0.00 C ATOM 1090 C LYS A 71 -12.155 -2.228 1.675 1.00 0.00 C ATOM 1091 O LYS A 71 -12.744 -1.566 2.520 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.392 -0.529 -0.116 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.563 -1.136 -0.866 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.779 -0.211 -0.912 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.691 -0.364 0.331 1.00 0.00 C ATOM 1096 NZ LYS A 71 -15.029 -0.056 1.628 1.00 0.00 N ATOM 0 H LYS A 71 -11.517 -2.578 -1.335 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.546 -1.043 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.777 0.118 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.826 0.103 -0.800 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.253 -1.373 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.845 -2.076 -0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.442 0.823 -0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.358 -0.422 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.554 0.291 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.068 -1.386 0.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.733 -0.085 2.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.287 -0.760 1.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.604 0.892 1.584 1.00 0.00 H new ATOM 1110 N ASN A 72 -12.151 -3.518 1.665 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.735 -4.321 2.712 1.00 0.00 C ATOM 1112 C ASN A 72 -11.705 -4.548 3.797 1.00 0.00 C ATOM 1113 O ASN A 72 -12.047 -4.859 4.941 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.164 -5.685 2.148 1.00 0.00 C ATOM 1115 CG ASN A 72 -14.191 -5.582 1.039 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -13.846 -5.427 -0.128 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -15.446 -5.705 1.379 1.00 0.00 N ATOM 0 H ASN A 72 -11.733 -4.067 0.914 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.604 -3.803 3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.284 -6.207 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.573 -6.292 2.956 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.173 -5.673 0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.699 -5.833 2.359 1.00 0.00 H new ATOM 1124 N SER A 73 -10.452 -4.353 3.443 1.00 0.00 N ATOM 1125 CA SER A 73 -9.359 -4.663 4.320 1.00 0.00 C ATOM 1126 C SER A 73 -8.649 -3.408 4.852 1.00 0.00 C ATOM 1127 O SER A 73 -8.818 -2.290 4.328 1.00 0.00 O ATOM 1128 CB SER A 73 -8.355 -5.547 3.568 1.00 0.00 C ATOM 1129 OG SER A 73 -8.976 -6.728 3.061 1.00 0.00 O ATOM 0 H SER A 73 -10.170 -3.975 2.539 1.00 0.00 H new ATOM 0 HA SER A 73 -9.766 -5.186 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.917 -4.983 2.745 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.539 -5.822 4.236 1.00 0.00 H new ATOM 0 HG SER A 73 -8.311 -7.269 2.586 1.00 0.00 H new ATOM 1135 N SER A 74 -7.903 -3.610 5.914 1.00 0.00 N ATOM 1136 CA SER A 74 -7.036 -2.623 6.491 1.00 0.00 C ATOM 1137 C SER A 74 -5.629 -3.219 6.474 1.00 0.00 C ATOM 1138 O SER A 74 -5.442 -4.381 6.881 1.00 0.00 O ATOM 1139 CB SER A 74 -7.467 -2.321 7.928 1.00 0.00 C ATOM 1140 OG SER A 74 -8.828 -1.927 7.968 1.00 0.00 O ATOM 0 H SER A 74 -7.887 -4.499 6.413 1.00 0.00 H new ATOM 0 HA SER A 74 -7.073 -1.688 5.933 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.320 -3.203 8.551 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.842 -1.530 8.343 1.00 0.00 H new ATOM 0 HG SER A 74 -9.087 -1.739 8.894 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.667 -2.481 5.988 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.323 -3.004 5.840 1.00 0.00 C ATOM 1148 C VAL A 75 -2.261 -2.095 6.458 1.00 0.00 C ATOM 1149 O VAL A 75 -2.486 -0.898 6.683 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.971 -3.333 4.353 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.807 -4.496 3.859 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.190 -2.129 3.438 1.00 0.00 C ATOM 0 H VAL A 75 -4.783 -1.514 5.686 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.314 -3.940 6.399 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.914 -3.598 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.551 -4.714 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.608 -5.374 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.864 -4.238 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.934 -2.399 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.235 -1.824 3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.557 -1.304 3.765 1.00 0.00 H new ATOM 1162 N ILE A 76 -1.128 -2.680 6.745 1.00 0.00 N ATOM 1163 CA ILE A 76 -0.001 -1.994 7.316 1.00 0.00 C ATOM 1164 C ILE A 76 0.960 -1.692 6.195 1.00 0.00 C ATOM 1165 O ILE A 76 1.311 -2.583 5.404 1.00 0.00 O ATOM 1166 CB ILE A 76 0.722 -2.863 8.387 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.262 -3.342 9.465 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.872 -2.090 9.030 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.965 -2.230 10.214 1.00 0.00 C ATOM 0 H ILE A 76 -0.960 -3.673 6.583 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.347 -1.086 7.809 1.00 0.00 H new ATOM 0 HB ILE A 76 1.131 -3.738 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.013 -3.978 8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.278 -3.961 10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.361 -2.718 9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.593 -1.807 8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.483 -1.193 9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.640 -2.660 10.954 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.226 -1.605 10.716 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.536 -1.623 9.512 1.00 0.00 H new ATOM 1181 N VAL A 77 1.365 -0.474 6.112 1.00 0.00 N ATOM 1182 CA VAL A 77 2.217 -0.026 5.060 1.00 0.00 C ATOM 1183 C VAL A 77 3.594 0.269 5.617 1.00 0.00 C ATOM 1184 O VAL A 77 3.788 1.205 6.398 1.00 0.00 O ATOM 1185 CB VAL A 77 1.616 1.217 4.387 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.476 1.701 3.257 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.224 0.904 3.900 1.00 0.00 C ATOM 0 H VAL A 77 1.112 0.253 6.782 1.00 0.00 H new ATOM 0 HA VAL A 77 2.307 -0.807 4.305 1.00 0.00 H new ATOM 0 HB VAL A 77 1.568 2.019 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.020 2.581 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.465 1.959 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.569 0.915 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.202 1.787 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.266 0.087 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.400 0.612 4.745 1.00 0.00 H new ATOM 1197 N ARG A 78 4.528 -0.531 5.239 1.00 0.00 N ATOM 1198 CA ARG A 78 5.850 -0.446 5.759 1.00 0.00 C ATOM 1199 C ARG A 78 6.838 -0.210 4.623 1.00 0.00 C ATOM 1200 O ARG A 78 6.740 -0.815 3.577 1.00 0.00 O ATOM 1201 CB ARG A 78 6.145 -1.754 6.485 1.00 0.00 C ATOM 1202 CG ARG A 78 7.492 -1.811 7.188 1.00 0.00 C ATOM 1203 CD ARG A 78 7.699 -3.148 7.877 1.00 0.00 C ATOM 1204 NE ARG A 78 7.969 -4.238 6.928 1.00 0.00 N ATOM 1205 CZ ARG A 78 7.127 -5.245 6.614 1.00 0.00 C ATOM 1206 NH1 ARG A 78 5.882 -5.286 7.104 1.00 0.00 N ATOM 1207 NH2 ARG A 78 7.545 -6.201 5.816 1.00 0.00 N ATOM 0 H ARG A 78 4.395 -1.273 4.551 1.00 0.00 H new ATOM 0 HA ARG A 78 5.945 0.389 6.454 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.360 -1.928 7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.093 -2.571 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.290 -1.645 6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.556 -1.008 7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.530 -3.067 8.577 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.812 -3.392 8.462 1.00 0.00 H new ATOM 0 HE ARG A 78 8.877 -4.233 6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.554 -4.548 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.261 -6.056 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.494 -6.175 5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.921 -6.969 5.569 1.00 0.00 H new ATOM 1221 N ARG A 79 7.762 0.672 4.819 1.00 0.00 N ATOM 1222 CA ARG A 79 8.739 0.972 3.795 1.00 0.00 C ATOM 1223 C ARG A 79 9.984 0.119 3.990 1.00 0.00 C ATOM 1224 O ARG A 79 10.544 0.078 5.086 1.00 0.00 O ATOM 1225 CB ARG A 79 9.077 2.451 3.837 1.00 0.00 C ATOM 1226 CG ARG A 79 10.214 2.873 2.934 1.00 0.00 C ATOM 1227 CD ARG A 79 10.425 4.352 3.047 1.00 0.00 C ATOM 1228 NE ARG A 79 11.645 4.800 2.396 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.056 6.062 2.384 1.00 0.00 C ATOM 1230 NH1 ARG A 79 11.312 7.017 2.939 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.210 6.366 1.829 1.00 0.00 N ATOM 0 H ARG A 79 7.871 1.207 5.681 1.00 0.00 H new ATOM 0 HA ARG A 79 8.324 0.738 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.187 3.019 3.566 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.328 2.722 4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.126 2.344 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.990 2.606 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.573 4.870 2.607 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.458 4.630 4.100 1.00 0.00 H new ATOM 0 HE ARG A 79 12.219 4.104 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.421 6.780 3.376 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.633 7.985 2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.784 5.633 1.411 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.531 7.334 1.817 1.00 0.00 H new ATOM 1245 N ILE A 80 10.407 -0.554 2.940 1.00 0.00 N ATOM 1246 CA ILE A 80 11.569 -1.425 3.006 1.00 0.00 C ATOM 1247 C ILE A 80 12.559 -1.021 1.919 1.00 0.00 C ATOM 1248 O ILE A 80 12.157 -0.452 0.917 1.00 0.00 O ATOM 1249 CB ILE A 80 11.164 -2.948 2.876 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.551 -3.311 1.509 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.236 -3.376 3.995 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.573 -3.806 0.502 1.00 0.00 C ATOM 0 H ILE A 80 9.962 -0.516 2.023 1.00 0.00 H new ATOM 0 HA ILE A 80 12.041 -1.310 3.982 1.00 0.00 H new ATOM 0 HB ILE A 80 12.100 -3.501 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.792 -4.080 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.045 -2.435 1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.979 -4.428 3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.733 -3.233 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.327 -2.775 3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.073 -4.043 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.319 -3.031 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.061 -4.700 0.889 1.00 0.00 H new ATOM 1264 N PRO A 81 13.851 -1.254 2.103 1.00 0.00 N ATOM 1265 CA PRO A 81 14.855 -0.951 1.073 1.00 0.00 C ATOM 1266 C PRO A 81 14.897 -2.049 0.002 1.00 0.00 C ATOM 1267 O PRO A 81 14.701 -3.226 0.305 1.00 0.00 O ATOM 1268 CB PRO A 81 16.148 -0.977 1.859 1.00 0.00 C ATOM 1269 CG PRO A 81 15.901 -2.017 2.904 1.00 0.00 C ATOM 1270 CD PRO A 81 14.474 -1.824 3.323 1.00 0.00 C ATOM 0 HA PRO A 81 14.657 -0.014 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.997 -1.237 1.227 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.367 -0.006 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.063 -3.019 2.508 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.579 -1.895 3.749 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.007 -2.765 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.390 -1.149 4.174 1.00 0.00 H new