USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 548 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 56 HIS : no HD1:sc= -0.503 K(o=-1.9,f=-8.3!) USER MOD Set 1.2: A 57 HIS :FLIP no HD1:sc= -1.35 F(o=-2.7,f=-1.9) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.301 X(o=0.3,f=0) USER MOD Single : A 14 THR OG1 : rot -179:sc= -0.993 USER MOD Single : A 16 GLN : amide:sc= -0.0658 X(o=-0.066,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.534) USER MOD Single : A 31 CYS SG : rot -133:sc= 1.25 USER MOD Single : A 35 LYS NZ :NH3+ -172:sc=-0.000279 (180deg=-0.105) USER MOD Single : A 36 ASN : amide:sc= -0.245 X(o=-0.25,f=-0.26) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -2.46 X(o=-2.5,f=-2.4) USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= -0.194 (180deg=-0.81) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.894 K(o=0.89,f=-0.034) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -2.51! K(o=-2.5!,f=-3.3) USER MOD Single : A 64 ASN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 2 -1.816 17.049 2.262 1.00 0.00 N ATOM 84 CA VAL A 2 -2.612 16.204 3.144 1.00 0.00 C ATOM 85 C VAL A 2 -2.057 14.785 3.194 1.00 0.00 C ATOM 86 O VAL A 2 -2.041 14.076 2.187 1.00 0.00 O ATOM 87 CB VAL A 2 -4.084 16.152 2.693 1.00 0.00 C ATOM 88 CG1 VAL A 2 -4.874 15.180 3.557 1.00 0.00 C ATOM 89 CG2 VAL A 2 -4.703 17.541 2.735 1.00 0.00 C ATOM 0 HA VAL A 2 -2.560 16.647 4.139 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.118 15.795 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.911 15.157 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.443 14.183 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.835 15.503 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.743 17.486 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.658 17.929 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.152 18.205 2.069 1.00 0.00 H new ATOM 99 N LYS A 3 -1.603 14.374 4.373 1.00 0.00 N ATOM 100 CA LYS A 3 -1.048 13.038 4.557 1.00 0.00 C ATOM 101 C LYS A 3 -2.159 12.003 4.702 1.00 0.00 C ATOM 102 O LYS A 3 -3.275 12.328 5.111 1.00 0.00 O ATOM 103 CB LYS A 3 -0.142 13.006 5.790 1.00 0.00 C ATOM 104 CG LYS A 3 0.397 11.623 6.112 1.00 0.00 C ATOM 105 CD LYS A 3 1.117 11.603 7.450 1.00 0.00 C ATOM 106 CE LYS A 3 2.577 12.003 7.303 1.00 0.00 C ATOM 107 NZ LYS A 3 3.250 12.141 8.624 1.00 0.00 N ATOM 0 H LYS A 3 -1.608 14.948 5.216 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.459 12.791 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.695 13.686 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.699 13.379 6.650 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.424 10.906 6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.081 11.306 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.620 12.283 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.054 10.605 7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.100 11.256 6.705 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.642 12.947 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.243 12.415 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.767 12.872 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.210 11.233 9.130 1.00 0.00 H new ATOM 121 N LEU A 4 -1.847 10.756 4.367 1.00 0.00 N ATOM 122 CA LEU A 4 -2.819 9.672 4.461 1.00 0.00 C ATOM 123 C LEU A 4 -2.224 8.469 5.185 1.00 0.00 C ATOM 124 O LEU A 4 -1.080 8.085 4.937 1.00 0.00 O ATOM 125 CB LEU A 4 -3.290 9.261 3.066 1.00 0.00 C ATOM 126 CG LEU A 4 -3.853 10.381 2.190 1.00 0.00 C ATOM 127 CD1 LEU A 4 -3.906 9.944 0.734 1.00 0.00 C ATOM 128 CD2 LEU A 4 -5.234 10.795 2.675 1.00 0.00 C ATOM 0 H LEU A 4 -0.928 10.470 4.028 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.673 10.031 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.451 8.804 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.055 8.492 3.175 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.190 11.243 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.309 10.754 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.901 9.698 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.546 9.067 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.619 11.593 2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.907 9.939 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.167 11.150 3.703 1.00 0.00 H new ATOM 140 N PHE A 5 -3.007 7.876 6.080 1.00 0.00 N ATOM 141 CA PHE A 5 -2.558 6.715 6.839 1.00 0.00 C ATOM 142 C PHE A 5 -3.049 5.421 6.196 1.00 0.00 C ATOM 143 O PHE A 5 -4.248 5.236 5.986 1.00 0.00 O ATOM 144 CB PHE A 5 -3.055 6.800 8.284 1.00 0.00 C ATOM 145 CG PHE A 5 -2.814 5.547 9.075 1.00 0.00 C ATOM 146 CD1 PHE A 5 -3.579 4.413 8.852 1.00 0.00 C ATOM 147 CD2 PHE A 5 -1.823 5.502 10.042 1.00 0.00 C ATOM 148 CE1 PHE A 5 -3.360 3.258 9.580 1.00 0.00 C ATOM 149 CE2 PHE A 5 -1.599 4.350 10.773 1.00 0.00 C ATOM 150 CZ PHE A 5 -2.368 3.227 10.541 1.00 0.00 C ATOM 0 H PHE A 5 -3.956 8.181 6.297 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.468 6.710 6.836 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.561 7.635 8.781 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.123 7.018 8.280 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.355 4.432 8.101 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.218 6.377 10.227 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.964 2.381 9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.824 4.329 11.524 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.194 2.326 11.110 1.00 0.00 H new ATOM 160 N ILE A 6 -2.113 4.531 5.885 1.00 0.00 N ATOM 161 CA ILE A 6 -2.450 3.255 5.266 1.00 0.00 C ATOM 162 C ILE A 6 -1.907 2.087 6.083 1.00 0.00 C ATOM 163 O ILE A 6 -0.696 1.888 6.172 1.00 0.00 O ATOM 164 CB ILE A 6 -1.899 3.162 3.830 1.00 0.00 C ATOM 165 CG1 ILE A 6 -2.268 4.418 3.037 1.00 0.00 C ATOM 166 CG2 ILE A 6 -2.431 1.916 3.138 1.00 0.00 C ATOM 167 CD1 ILE A 6 -1.555 4.524 1.708 1.00 0.00 C ATOM 0 H ILE A 6 -1.116 4.670 6.051 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.538 3.198 5.233 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.812 3.091 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.344 4.426 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.035 5.298 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.033 1.865 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.123 1.031 3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.519 1.959 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.865 5.438 1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.478 4.548 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.808 3.663 1.090 1.00 0.00 H new ATOM 179 N GLY A 7 -2.813 1.315 6.676 1.00 0.00 N ATOM 180 CA GLY A 7 -2.405 0.176 7.477 1.00 0.00 C ATOM 181 C GLY A 7 -2.740 -1.147 6.816 1.00 0.00 C ATOM 182 O GLY A 7 -3.320 -1.176 5.731 1.00 0.00 O ATOM 0 H GLY A 7 -3.821 1.458 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.331 0.228 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.893 0.226 8.450 1.00 0.00 H new ATOM 186 N ASN A 8 -2.373 -2.244 7.470 1.00 0.00 N ATOM 187 CA ASN A 8 -2.636 -3.576 6.937 1.00 0.00 C ATOM 188 C ASN A 8 -2.085 -3.714 5.521 1.00 0.00 C ATOM 189 O ASN A 8 -2.797 -4.125 4.604 1.00 0.00 O ATOM 190 CB ASN A 8 -4.139 -3.862 6.943 1.00 0.00 C ATOM 191 CG ASN A 8 -4.446 -5.337 7.116 1.00 0.00 C ATOM 192 OD1 ASN A 8 -4.750 -5.793 8.219 1.00 0.00 O ATOM 193 ND2 ASN A 8 -4.367 -6.090 6.026 1.00 0.00 N ATOM 0 H ASN A 8 -1.893 -2.237 8.370 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.132 -4.302 7.575 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.610 -3.299 7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.577 -3.510 6.009 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.562 -7.090 6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.111 -5.669 5.133 1.00 0.00 H new ATOM 200 N LEU A 9 -0.814 -3.368 5.350 1.00 0.00 N ATOM 201 CA LEU A 9 -0.167 -3.454 4.046 1.00 0.00 C ATOM 202 C LEU A 9 0.534 -4.797 3.873 1.00 0.00 C ATOM 203 O LEU A 9 1.109 -5.350 4.811 1.00 0.00 O ATOM 204 CB LEU A 9 0.840 -2.315 3.879 1.00 0.00 C ATOM 205 CG LEU A 9 0.248 -0.920 3.673 1.00 0.00 C ATOM 206 CD1 LEU A 9 1.348 0.130 3.658 1.00 0.00 C ATOM 207 CD2 LEU A 9 -0.558 -0.868 2.383 1.00 0.00 C ATOM 0 H LEU A 9 -0.211 -3.025 6.098 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.937 -3.366 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.479 -2.290 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.481 -2.545 3.028 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.421 -0.704 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.908 1.116 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.883 0.110 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.043 -0.082 2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.972 0.132 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.090 -1.105 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.370 -1.593 2.432 1.00 0.00 H new ATOM 219 N PRO A 10 0.489 -5.335 2.645 1.00 0.00 N ATOM 220 CA PRO A 10 1.117 -6.619 2.320 1.00 0.00 C ATOM 221 C PRO A 10 2.624 -6.493 2.121 1.00 0.00 C ATOM 222 O PRO A 10 3.171 -5.390 2.129 1.00 0.00 O ATOM 223 CB PRO A 10 0.437 -7.025 1.010 1.00 0.00 C ATOM 224 CG PRO A 10 0.044 -5.738 0.372 1.00 0.00 C ATOM 225 CD PRO A 10 -0.179 -4.731 1.480 1.00 0.00 C ATOM 0 HA PRO A 10 0.996 -7.347 3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.114 -7.593 0.372 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.432 -7.657 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.823 -5.394 -0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.863 -5.864 -0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.251 -3.761 1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.241 -4.571 1.667 1.00 0.00 H new ATOM 233 N ARG A 11 3.289 -7.630 1.941 1.00 0.00 N ATOM 234 CA ARG A 11 4.733 -7.646 1.740 1.00 0.00 C ATOM 235 C ARG A 11 5.089 -7.220 0.319 1.00 0.00 C ATOM 236 O ARG A 11 6.100 -6.555 0.095 1.00 0.00 O ATOM 237 CB ARG A 11 5.293 -9.042 2.020 1.00 0.00 C ATOM 238 CG ARG A 11 4.741 -10.116 1.098 1.00 0.00 C ATOM 239 CD ARG A 11 5.126 -11.509 1.571 1.00 0.00 C ATOM 240 NE ARG A 11 4.274 -12.541 0.986 1.00 0.00 N ATOM 241 CZ ARG A 11 2.974 -12.651 1.237 1.00 0.00 C ATOM 242 NH1 ARG A 11 2.380 -11.797 2.059 1.00 0.00 N ATOM 243 NH2 ARG A 11 2.266 -13.617 0.666 1.00 0.00 N ATOM 0 H ARG A 11 2.851 -8.551 1.930 1.00 0.00 H new ATOM 0 HA ARG A 11 5.179 -6.936 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.378 -9.015 1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.072 -9.313 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.655 -10.034 1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.117 -9.957 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.166 -11.706 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.057 -11.555 2.658 1.00 0.00 H new ATOM 0 HE ARG A 11 4.701 -13.214 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.921 -11.053 2.500 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.382 -11.883 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.720 -14.276 0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.268 -13.700 0.860 1.00 0.00 H new ATOM 257 N GLU A 12 4.251 -7.608 -0.638 1.00 0.00 N ATOM 258 CA GLU A 12 4.479 -7.267 -2.037 1.00 0.00 C ATOM 259 C GLU A 12 4.264 -5.775 -2.275 1.00 0.00 C ATOM 260 O GLU A 12 4.880 -5.182 -3.161 1.00 0.00 O ATOM 261 CB GLU A 12 3.549 -8.078 -2.941 1.00 0.00 C ATOM 262 CG GLU A 12 3.808 -9.575 -2.894 1.00 0.00 C ATOM 263 CD GLU A 12 4.854 -10.018 -3.898 1.00 0.00 C ATOM 264 OE1 GLU A 12 4.612 -9.862 -5.114 1.00 0.00 O ATOM 265 OE2 GLU A 12 5.913 -10.521 -3.470 1.00 0.00 O ATOM 0 H GLU A 12 3.409 -8.158 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 12 5.513 -7.511 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.516 -7.887 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.660 -7.730 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.132 -9.852 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.877 -10.107 -3.087 1.00 0.00 H new ATOM 272 N ALA A 13 3.386 -5.175 -1.478 1.00 0.00 N ATOM 273 CA ALA A 13 3.090 -3.753 -1.601 1.00 0.00 C ATOM 274 C ALA A 13 4.368 -2.940 -1.775 1.00 0.00 C ATOM 275 O ALA A 13 5.370 -3.186 -1.103 1.00 0.00 O ATOM 276 CB ALA A 13 2.315 -3.269 -0.384 1.00 0.00 C ATOM 0 H ALA A 13 2.867 -5.652 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 13 2.476 -3.610 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.100 -2.205 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.379 -3.822 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.910 -3.432 0.515 1.00 0.00 H new ATOM 282 N THR A 14 4.327 -1.969 -2.682 1.00 0.00 N ATOM 283 CA THR A 14 5.482 -1.120 -2.946 1.00 0.00 C ATOM 284 C THR A 14 5.097 0.355 -2.925 1.00 0.00 C ATOM 285 O THR A 14 3.951 0.710 -3.200 1.00 0.00 O ATOM 286 CB THR A 14 6.124 -1.452 -4.307 1.00 0.00 C ATOM 287 OG1 THR A 14 5.129 -1.425 -5.337 1.00 0.00 O ATOM 288 CG2 THR A 14 6.789 -2.819 -4.272 1.00 0.00 C ATOM 0 H THR A 14 3.506 -1.751 -3.246 1.00 0.00 H new ATOM 0 HA THR A 14 6.205 -1.315 -2.154 1.00 0.00 H new ATOM 0 HB THR A 14 6.885 -0.701 -4.518 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.542 -1.651 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.235 -3.032 -5.244 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.565 -2.827 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.044 -3.580 -4.041 1.00 0.00 H new ATOM 296 N GLU A 15 6.061 1.209 -2.597 1.00 0.00 N ATOM 297 CA GLU A 15 5.821 2.646 -2.540 1.00 0.00 C ATOM 298 C GLU A 15 5.195 3.145 -3.839 1.00 0.00 C ATOM 299 O GLU A 15 4.368 4.057 -3.830 1.00 0.00 O ATOM 300 CB GLU A 15 7.129 3.394 -2.272 1.00 0.00 C ATOM 301 CG GLU A 15 7.500 3.463 -0.800 1.00 0.00 C ATOM 302 CD GLU A 15 8.346 2.286 -0.355 1.00 0.00 C ATOM 303 OE1 GLU A 15 9.482 2.149 -0.855 1.00 0.00 O ATOM 304 OE2 GLU A 15 7.872 1.502 0.493 1.00 0.00 O ATOM 0 H GLU A 15 7.015 0.931 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 15 5.126 2.840 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.936 2.906 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.045 4.407 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.043 4.389 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.590 3.498 -0.201 1.00 0.00 H new ATOM 311 N GLN A 16 5.595 2.540 -4.953 1.00 0.00 N ATOM 312 CA GLN A 16 5.074 2.924 -6.259 1.00 0.00 C ATOM 313 C GLN A 16 3.624 2.478 -6.419 1.00 0.00 C ATOM 314 O GLN A 16 2.769 3.257 -6.839 1.00 0.00 O ATOM 315 CB GLN A 16 5.931 2.318 -7.372 1.00 0.00 C ATOM 316 CG GLN A 16 6.551 0.980 -7.002 1.00 0.00 C ATOM 317 CD GLN A 16 7.033 0.206 -8.213 1.00 0.00 C ATOM 318 OE1 GLN A 16 8.224 -0.078 -8.349 1.00 0.00 O ATOM 319 NE2 GLN A 16 6.109 -0.140 -9.101 1.00 0.00 N ATOM 0 H GLN A 16 6.278 1.783 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 16 5.112 4.011 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.317 2.190 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.725 3.018 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.389 1.147 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.818 0.381 -6.461 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.134 0.116 -8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.374 -0.662 -9.936 1.00 0.00 H new ATOM 328 N GLU A 17 3.356 1.220 -6.082 1.00 0.00 N ATOM 329 CA GLU A 17 2.009 0.672 -6.190 1.00 0.00 C ATOM 330 C GLU A 17 1.009 1.528 -5.417 1.00 0.00 C ATOM 331 O GLU A 17 -0.085 1.815 -5.904 1.00 0.00 O ATOM 332 CB GLU A 17 1.977 -0.766 -5.668 1.00 0.00 C ATOM 333 CG GLU A 17 2.339 -1.803 -6.718 1.00 0.00 C ATOM 334 CD GLU A 17 2.243 -3.223 -6.193 1.00 0.00 C ATOM 335 OE1 GLU A 17 2.353 -3.410 -4.964 1.00 0.00 O ATOM 336 OE2 GLU A 17 2.056 -4.146 -7.014 1.00 0.00 O ATOM 0 H GLU A 17 4.053 0.562 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 17 1.726 0.676 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.667 -0.854 -4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.980 -0.982 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.677 -1.692 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.353 -1.618 -7.071 1.00 0.00 H new ATOM 343 N ILE A 18 1.393 1.931 -4.211 1.00 0.00 N ATOM 344 CA ILE A 18 0.532 2.754 -3.371 1.00 0.00 C ATOM 345 C ILE A 18 0.397 4.164 -3.937 1.00 0.00 C ATOM 346 O ILE A 18 -0.704 4.709 -4.016 1.00 0.00 O ATOM 347 CB ILE A 18 1.067 2.840 -1.930 1.00 0.00 C ATOM 348 CG1 ILE A 18 1.170 1.442 -1.316 1.00 0.00 C ATOM 349 CG2 ILE A 18 0.169 3.731 -1.084 1.00 0.00 C ATOM 350 CD1 ILE A 18 -0.165 0.746 -1.171 1.00 0.00 C ATOM 0 H ILE A 18 2.295 1.701 -3.793 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.447 2.275 -3.358 1.00 0.00 H new ATOM 0 HB ILE A 18 2.064 3.280 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.825 0.829 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.639 1.518 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.560 3.782 -0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.142 4.733 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.839 3.317 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.016 -0.239 -0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.816 1.337 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.627 0.637 -2.152 1.00 0.00 H new ATOM 362 N ARG A 19 1.524 4.748 -4.330 1.00 0.00 N ATOM 363 CA ARG A 19 1.532 6.094 -4.889 1.00 0.00 C ATOM 364 C ARG A 19 0.541 6.209 -6.044 1.00 0.00 C ATOM 365 O ARG A 19 -0.412 6.986 -5.983 1.00 0.00 O ATOM 366 CB ARG A 19 2.937 6.461 -5.370 1.00 0.00 C ATOM 367 CG ARG A 19 2.991 7.760 -6.159 1.00 0.00 C ATOM 368 CD ARG A 19 4.109 7.740 -7.189 1.00 0.00 C ATOM 369 NE ARG A 19 3.658 7.213 -8.475 1.00 0.00 N ATOM 370 CZ ARG A 19 4.484 6.825 -9.440 1.00 0.00 C ATOM 371 NH1 ARG A 19 5.796 6.904 -9.266 1.00 0.00 N ATOM 372 NH2 ARG A 19 3.998 6.356 -10.583 1.00 0.00 N ATOM 0 H ARG A 19 2.443 4.310 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 19 1.231 6.788 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.598 6.542 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.322 5.652 -5.991 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.037 7.923 -6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.139 8.596 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.494 8.750 -7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.934 7.132 -6.817 1.00 0.00 H new ATOM 0 HE ARG A 19 2.654 7.139 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.173 7.263 -8.389 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.428 6.605 -10.009 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.989 6.293 -10.721 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.633 6.058 -11.323 1.00 0.00 H new ATOM 386 N SER A 20 0.773 5.431 -7.096 1.00 0.00 N ATOM 387 CA SER A 20 -0.096 5.448 -8.267 1.00 0.00 C ATOM 388 C SER A 20 -1.564 5.423 -7.854 1.00 0.00 C ATOM 389 O SER A 20 -2.347 6.289 -8.247 1.00 0.00 O ATOM 390 CB SER A 20 0.211 4.254 -9.174 1.00 0.00 C ATOM 391 OG SER A 20 -0.664 4.223 -10.288 1.00 0.00 O ATOM 0 H SER A 20 1.556 4.781 -7.162 1.00 0.00 H new ATOM 0 HA SER A 20 0.093 6.370 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.243 4.311 -9.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.116 3.328 -8.607 1.00 0.00 H new ATOM 0 HG SER A 20 -0.447 3.452 -10.853 1.00 0.00 H new ATOM 397 N LEU A 21 -1.931 4.425 -7.058 1.00 0.00 N ATOM 398 CA LEU A 21 -3.306 4.286 -6.589 1.00 0.00 C ATOM 399 C LEU A 21 -3.914 5.649 -6.274 1.00 0.00 C ATOM 400 O LEU A 21 -5.118 5.855 -6.434 1.00 0.00 O ATOM 401 CB LEU A 21 -3.355 3.393 -5.348 1.00 0.00 C ATOM 402 CG LEU A 21 -3.300 1.887 -5.603 1.00 0.00 C ATOM 403 CD1 LEU A 21 -3.224 1.125 -4.288 1.00 0.00 C ATOM 404 CD2 LEU A 21 -4.509 1.438 -6.412 1.00 0.00 C ATOM 0 H LEU A 21 -1.296 3.700 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.890 3.823 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.522 3.662 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.271 3.615 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.401 1.668 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.186 0.054 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.327 1.424 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.104 1.349 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.453 0.363 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.421 1.670 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.520 1.959 -7.370 1.00 0.00 H new ATOM 416 N PHE A 22 -3.075 6.577 -5.826 1.00 0.00 N ATOM 417 CA PHE A 22 -3.529 7.921 -5.490 1.00 0.00 C ATOM 418 C PHE A 22 -3.412 8.852 -6.693 1.00 0.00 C ATOM 419 O PHE A 22 -4.237 9.745 -6.881 1.00 0.00 O ATOM 420 CB PHE A 22 -2.718 8.478 -4.318 1.00 0.00 C ATOM 421 CG PHE A 22 -3.057 7.845 -2.999 1.00 0.00 C ATOM 422 CD1 PHE A 22 -4.227 8.177 -2.336 1.00 0.00 C ATOM 423 CD2 PHE A 22 -2.205 6.916 -2.422 1.00 0.00 C ATOM 424 CE1 PHE A 22 -4.541 7.597 -1.122 1.00 0.00 C ATOM 425 CE2 PHE A 22 -2.514 6.332 -1.208 1.00 0.00 C ATOM 426 CZ PHE A 22 -3.684 6.672 -0.558 1.00 0.00 C ATOM 0 H PHE A 22 -2.076 6.423 -5.687 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.578 7.861 -5.201 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.657 8.333 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.885 9.553 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.902 8.898 -2.773 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.289 6.646 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.455 7.867 -0.615 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.841 5.611 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.929 6.215 0.390 1.00 0.00 H new ATOM 436 N GLU A 23 -2.381 8.636 -7.503 1.00 0.00 N ATOM 437 CA GLU A 23 -2.155 9.456 -8.687 1.00 0.00 C ATOM 438 C GLU A 23 -3.408 9.514 -9.556 1.00 0.00 C ATOM 439 O GLU A 23 -3.531 10.374 -10.428 1.00 0.00 O ATOM 440 CB GLU A 23 -0.982 8.905 -9.501 1.00 0.00 C ATOM 441 CG GLU A 23 0.378 9.278 -8.936 1.00 0.00 C ATOM 442 CD GLU A 23 1.503 9.049 -9.927 1.00 0.00 C ATOM 443 OE1 GLU A 23 1.386 8.121 -10.754 1.00 0.00 O ATOM 444 OE2 GLU A 23 2.501 9.798 -9.873 1.00 0.00 O ATOM 0 H GLU A 23 -1.689 7.900 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.915 10.467 -8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.061 7.819 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.055 9.274 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.369 10.327 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.567 8.693 -8.036 1.00 0.00 H new ATOM 451 N GLN A 24 -4.335 8.594 -9.310 1.00 0.00 N ATOM 452 CA GLN A 24 -5.578 8.539 -10.071 1.00 0.00 C ATOM 453 C GLN A 24 -6.561 9.598 -9.583 1.00 0.00 C ATOM 454 O GLN A 24 -7.360 10.122 -10.359 1.00 0.00 O ATOM 455 CB GLN A 24 -6.209 7.150 -9.958 1.00 0.00 C ATOM 456 CG GLN A 24 -5.306 6.031 -10.452 1.00 0.00 C ATOM 457 CD GLN A 24 -5.989 4.677 -10.428 1.00 0.00 C ATOM 458 OE1 GLN A 24 -5.459 3.760 -9.628 1.00 0.00 O flip ATOM 459 NE2 GLN A 24 -6.983 4.459 -11.122 1.00 0.00 N flip ATOM 0 H GLN A 24 -4.249 7.877 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.344 8.740 -11.117 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.470 6.962 -8.917 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.138 7.134 -10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.982 6.253 -11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.409 5.993 -9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.357 5.194 -11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.432 3.544 -11.096 1.00 0.00 H new ATOM 468 N TYR A 25 -6.497 9.909 -8.293 1.00 0.00 N ATOM 469 CA TYR A 25 -7.383 10.903 -7.701 1.00 0.00 C ATOM 470 C TYR A 25 -6.590 12.093 -7.170 1.00 0.00 C ATOM 471 O TYR A 25 -7.054 12.822 -6.294 1.00 0.00 O ATOM 472 CB TYR A 25 -8.204 10.278 -6.572 1.00 0.00 C ATOM 473 CG TYR A 25 -8.594 8.841 -6.831 1.00 0.00 C ATOM 474 CD1 TYR A 25 -7.659 7.818 -6.732 1.00 0.00 C ATOM 475 CD2 TYR A 25 -9.898 8.505 -7.174 1.00 0.00 C ATOM 476 CE1 TYR A 25 -8.011 6.503 -6.969 1.00 0.00 C ATOM 477 CE2 TYR A 25 -10.259 7.193 -7.411 1.00 0.00 C ATOM 478 CZ TYR A 25 -9.312 6.196 -7.307 1.00 0.00 C ATOM 479 OH TYR A 25 -9.667 4.887 -7.543 1.00 0.00 O ATOM 0 H TYR A 25 -5.840 9.486 -7.637 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.059 11.258 -8.479 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.631 10.329 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.107 10.869 -6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.640 8.055 -6.465 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.642 9.283 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.271 5.720 -6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.277 6.949 -7.676 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.620 4.842 -7.768 1.00 0.00 H new ATOM 489 N GLY A 26 -5.389 12.284 -7.709 1.00 0.00 N ATOM 490 CA GLY A 26 -4.549 13.386 -7.278 1.00 0.00 C ATOM 491 C GLY A 26 -3.076 13.030 -7.288 1.00 0.00 C ATOM 492 O GLY A 26 -2.694 11.923 -6.908 1.00 0.00 O ATOM 0 H GLY A 26 -4.983 11.695 -8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.717 14.243 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.840 13.689 -6.272 1.00 0.00 H new ATOM 496 N LYS A 27 -2.245 13.971 -7.724 1.00 0.00 N ATOM 497 CA LYS A 27 -0.804 13.752 -7.782 1.00 0.00 C ATOM 498 C LYS A 27 -0.235 13.501 -6.390 1.00 0.00 C ATOM 499 O LYS A 27 -0.583 14.191 -5.432 1.00 0.00 O ATOM 500 CB LYS A 27 -0.110 14.959 -8.418 1.00 0.00 C ATOM 501 CG LYS A 27 1.402 14.825 -8.486 1.00 0.00 C ATOM 502 CD LYS A 27 2.020 15.916 -9.343 1.00 0.00 C ATOM 503 CE LYS A 27 3.475 16.159 -8.972 1.00 0.00 C ATOM 504 NZ LYS A 27 3.602 16.957 -7.721 1.00 0.00 N ATOM 0 H LYS A 27 -2.545 14.893 -8.042 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.620 12.869 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.499 15.102 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.362 15.854 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.818 14.872 -7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.664 13.849 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.953 15.636 -10.394 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.454 16.839 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.982 15.203 -8.846 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.976 16.680 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.488 16.706 -7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.611 17.970 -7.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.796 16.753 -7.096 1.00 0.00 H new ATOM 518 N VAL A 28 0.643 12.508 -6.284 1.00 0.00 N ATOM 519 CA VAL A 28 1.263 12.168 -5.009 1.00 0.00 C ATOM 520 C VAL A 28 2.613 12.858 -4.852 1.00 0.00 C ATOM 521 O VAL A 28 3.376 12.980 -5.812 1.00 0.00 O ATOM 522 CB VAL A 28 1.457 10.646 -4.868 1.00 0.00 C ATOM 523 CG1 VAL A 28 2.123 10.314 -3.542 1.00 0.00 C ATOM 524 CG2 VAL A 28 0.124 9.925 -5.001 1.00 0.00 C ATOM 0 H VAL A 28 0.941 11.925 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 28 0.588 12.515 -4.227 1.00 0.00 H new ATOM 0 HB VAL A 28 2.110 10.304 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.252 9.235 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.097 10.801 -3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.498 10.668 -2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.279 8.851 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.555 10.269 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.309 10.138 -5.979 1.00 0.00 H new ATOM 534 N LEU A 29 2.903 13.309 -3.637 1.00 0.00 N ATOM 535 CA LEU A 29 4.163 13.988 -3.353 1.00 0.00 C ATOM 536 C LEU A 29 5.126 13.062 -2.617 1.00 0.00 C ATOM 537 O LEU A 29 6.248 12.835 -3.067 1.00 0.00 O ATOM 538 CB LEU A 29 3.910 15.246 -2.520 1.00 0.00 C ATOM 539 CG LEU A 29 2.783 16.157 -3.006 1.00 0.00 C ATOM 540 CD1 LEU A 29 2.554 17.295 -2.023 1.00 0.00 C ATOM 541 CD2 LEU A 29 3.097 16.703 -4.392 1.00 0.00 C ATOM 0 H LEU A 29 2.283 13.217 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 29 4.616 14.273 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.689 14.942 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.831 15.827 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 29 1.868 15.568 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.748 17.933 -2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.283 16.886 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.467 17.883 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.283 17.349 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.024 17.276 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.209 15.875 -5.092 1.00 0.00 H new ATOM 553 N GLU A 30 4.678 12.529 -1.484 1.00 0.00 N ATOM 554 CA GLU A 30 5.500 11.627 -0.687 1.00 0.00 C ATOM 555 C GLU A 30 4.809 10.279 -0.504 1.00 0.00 C ATOM 556 O GLU A 30 3.581 10.203 -0.443 1.00 0.00 O ATOM 557 CB GLU A 30 5.802 12.248 0.678 1.00 0.00 C ATOM 558 CG GLU A 30 6.862 11.498 1.467 1.00 0.00 C ATOM 559 CD GLU A 30 8.171 11.372 0.712 1.00 0.00 C ATOM 560 OE1 GLU A 30 8.266 10.493 -0.169 1.00 0.00 O ATOM 561 OE2 GLU A 30 9.101 12.154 1.003 1.00 0.00 O ATOM 0 H GLU A 30 3.751 12.707 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 30 6.437 11.465 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.129 13.278 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.883 12.283 1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.039 12.013 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.491 10.503 1.712 1.00 0.00 H new ATOM 568 N CYS A 31 5.605 9.219 -0.418 1.00 0.00 N ATOM 569 CA CYS A 31 5.071 7.874 -0.243 1.00 0.00 C ATOM 570 C CYS A 31 6.088 6.970 0.445 1.00 0.00 C ATOM 571 O CYS A 31 7.117 6.621 -0.135 1.00 0.00 O ATOM 572 CB CYS A 31 4.675 7.280 -1.595 1.00 0.00 C ATOM 573 SG CYS A 31 3.731 5.742 -1.479 1.00 0.00 S ATOM 0 H CYS A 31 6.623 9.265 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 31 4.186 7.941 0.389 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.086 8.015 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.578 7.096 -2.177 1.00 0.00 H new ATOM 0 HG CYS A 31 4.220 4.869 -2.309 1.00 0.00 H new ATOM 579 N ASP A 32 5.795 6.594 1.686 1.00 0.00 N ATOM 580 CA ASP A 32 6.685 5.731 2.454 1.00 0.00 C ATOM 581 C ASP A 32 5.937 4.508 2.977 1.00 0.00 C ATOM 582 O ASP A 32 4.707 4.491 3.015 1.00 0.00 O ATOM 583 CB ASP A 32 7.300 6.506 3.620 1.00 0.00 C ATOM 584 CG ASP A 32 8.667 5.978 4.009 1.00 0.00 C ATOM 585 OD1 ASP A 32 8.976 4.818 3.663 1.00 0.00 O ATOM 586 OD2 ASP A 32 9.428 6.725 4.658 1.00 0.00 O ATOM 0 H ASP A 32 4.948 6.874 2.181 1.00 0.00 H new ATOM 0 HA ASP A 32 7.483 5.392 1.793 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.384 7.558 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.634 6.451 4.481 1.00 0.00 H new ATOM 591 N ILE A 33 6.689 3.488 3.377 1.00 0.00 N ATOM 592 CA ILE A 33 6.097 2.262 3.897 1.00 0.00 C ATOM 593 C ILE A 33 6.951 1.670 5.013 1.00 0.00 C ATOM 594 O ILE A 33 8.005 1.086 4.759 1.00 0.00 O ATOM 595 CB ILE A 33 5.920 1.208 2.788 1.00 0.00 C ATOM 596 CG1 ILE A 33 5.067 1.772 1.650 1.00 0.00 C ATOM 597 CG2 ILE A 33 5.288 -0.055 3.355 1.00 0.00 C ATOM 598 CD1 ILE A 33 4.911 0.822 0.484 1.00 0.00 C ATOM 0 H ILE A 33 7.709 3.486 3.351 1.00 0.00 H new ATOM 0 HA ILE A 33 5.117 2.528 4.294 1.00 0.00 H new ATOM 0 HB ILE A 33 6.902 0.953 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.080 2.024 2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.517 2.699 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.169 -0.791 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.930 -0.464 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.312 0.184 3.777 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.295 1.288 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.892 0.589 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.433 -0.097 0.825 1.00 0.00 H new ATOM 610 N ILE A 34 6.489 1.825 6.250 1.00 0.00 N ATOM 611 CA ILE A 34 7.209 1.303 7.405 1.00 0.00 C ATOM 612 C ILE A 34 6.244 0.819 8.482 1.00 0.00 C ATOM 613 O ILE A 34 5.087 1.238 8.528 1.00 0.00 O ATOM 614 CB ILE A 34 8.146 2.364 8.010 1.00 0.00 C ATOM 615 CG1 ILE A 34 8.825 3.170 6.900 1.00 0.00 C ATOM 616 CG2 ILE A 34 9.186 1.705 8.904 1.00 0.00 C ATOM 617 CD1 ILE A 34 9.396 4.488 7.373 1.00 0.00 C ATOM 0 H ILE A 34 5.620 2.308 6.478 1.00 0.00 H new ATOM 0 HA ILE A 34 7.806 0.462 7.051 1.00 0.00 H new ATOM 0 HB ILE A 34 7.552 3.046 8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.626 2.572 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.102 3.360 6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.841 2.468 9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.686 1.171 9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.778 1.002 8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.862 5.005 6.534 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.596 5.106 7.781 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.143 4.305 8.146 1.00 0.00 H new ATOM 629 N LYS A 35 6.727 -0.064 9.348 1.00 0.00 N ATOM 630 CA LYS A 35 5.910 -0.604 10.428 1.00 0.00 C ATOM 631 C LYS A 35 4.572 -1.110 9.897 1.00 0.00 C ATOM 632 O LYS A 35 3.525 -0.867 10.496 1.00 0.00 O ATOM 633 CB LYS A 35 5.675 0.463 11.499 1.00 0.00 C ATOM 634 CG LYS A 35 6.873 0.690 12.405 1.00 0.00 C ATOM 635 CD LYS A 35 6.799 -0.172 13.654 1.00 0.00 C ATOM 636 CE LYS A 35 7.952 0.120 14.602 1.00 0.00 C ATOM 637 NZ LYS A 35 9.269 -0.215 13.994 1.00 0.00 N ATOM 0 H LYS A 35 7.682 -0.422 9.323 1.00 0.00 H new ATOM 0 HA LYS A 35 6.446 -1.443 10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.415 1.403 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.819 0.172 12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.790 0.465 11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.921 1.741 12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.853 0.006 14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.816 -1.225 13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.937 1.174 14.878 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.820 -0.452 15.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.015 -0.131 14.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.246 -1.189 13.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.467 0.441 13.212 1.00 0.00 H new ATOM 651 N ASN A 36 4.616 -1.815 8.772 1.00 0.00 N ATOM 652 CA ASN A 36 3.407 -2.356 8.161 1.00 0.00 C ATOM 653 C ASN A 36 2.408 -1.244 7.855 1.00 0.00 C ATOM 654 O ASN A 36 1.199 -1.474 7.822 1.00 0.00 O ATOM 655 CB ASN A 36 2.765 -3.394 9.084 1.00 0.00 C ATOM 656 CG ASN A 36 3.793 -4.163 9.892 1.00 0.00 C ATOM 657 OD1 ASN A 36 3.882 -4.010 11.111 1.00 0.00 O ATOM 658 ND2 ASN A 36 4.575 -4.995 9.216 1.00 0.00 N ATOM 0 H ASN A 36 5.475 -2.025 8.265 1.00 0.00 H new ATOM 0 HA ASN A 36 3.687 -2.837 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.073 -2.895 9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.178 -4.093 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.285 -5.539 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.466 -5.090 8.206 1.00 0.00 H new ATOM 665 N TYR A 37 2.922 -0.040 7.631 1.00 0.00 N ATOM 666 CA TYR A 37 2.075 1.108 7.330 1.00 0.00 C ATOM 667 C TYR A 37 2.714 1.990 6.261 1.00 0.00 C ATOM 668 O TYR A 37 3.924 1.946 6.046 1.00 0.00 O ATOM 669 CB TYR A 37 1.819 1.926 8.596 1.00 0.00 C ATOM 670 CG TYR A 37 2.950 2.865 8.950 1.00 0.00 C ATOM 671 CD1 TYR A 37 3.268 3.941 8.129 1.00 0.00 C ATOM 672 CD2 TYR A 37 3.702 2.677 10.103 1.00 0.00 C ATOM 673 CE1 TYR A 37 4.302 4.801 8.448 1.00 0.00 C ATOM 674 CE2 TYR A 37 4.736 3.533 10.430 1.00 0.00 C ATOM 675 CZ TYR A 37 5.032 4.593 9.599 1.00 0.00 C ATOM 676 OH TYR A 37 6.062 5.447 9.920 1.00 0.00 O ATOM 0 H TYR A 37 3.921 0.166 7.652 1.00 0.00 H new ATOM 0 HA TYR A 37 1.124 0.736 6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.905 2.505 8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.649 1.245 9.430 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.698 4.108 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.474 1.847 10.755 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.537 5.632 7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.309 3.373 11.331 1.00 0.00 H new ATOM 0 HH TYR A 37 6.473 5.161 10.762 1.00 0.00 H new ATOM 686 N GLY A 38 1.889 2.793 5.595 1.00 0.00 N ATOM 687 CA GLY A 38 2.390 3.675 4.557 1.00 0.00 C ATOM 688 C GLY A 38 1.749 5.048 4.604 1.00 0.00 C ATOM 689 O GLY A 38 0.549 5.173 4.851 1.00 0.00 O ATOM 0 H GLY A 38 0.883 2.848 5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.470 3.778 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.206 3.225 3.582 1.00 0.00 H new ATOM 693 N PHE A 39 2.550 6.082 4.369 1.00 0.00 N ATOM 694 CA PHE A 39 2.055 7.453 4.388 1.00 0.00 C ATOM 695 C PHE A 39 2.036 8.044 2.982 1.00 0.00 C ATOM 696 O PHE A 39 3.027 7.977 2.255 1.00 0.00 O ATOM 697 CB PHE A 39 2.921 8.318 5.306 1.00 0.00 C ATOM 698 CG PHE A 39 2.796 7.961 6.760 1.00 0.00 C ATOM 699 CD1 PHE A 39 1.556 7.699 7.319 1.00 0.00 C ATOM 700 CD2 PHE A 39 3.920 7.887 7.567 1.00 0.00 C ATOM 701 CE1 PHE A 39 1.438 7.370 8.656 1.00 0.00 C ATOM 702 CE2 PHE A 39 3.808 7.557 8.905 1.00 0.00 C ATOM 703 CZ PHE A 39 2.565 7.300 9.450 1.00 0.00 C ATOM 0 H PHE A 39 3.545 5.996 4.163 1.00 0.00 H new ATOM 0 HA PHE A 39 1.034 7.439 4.771 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.964 8.222 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.646 9.364 5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.671 7.752 6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.894 8.089 7.146 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.465 7.168 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.692 7.500 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.475 7.045 10.496 1.00 0.00 H new ATOM 713 N VAL A 40 0.901 8.624 2.605 1.00 0.00 N ATOM 714 CA VAL A 40 0.752 9.228 1.286 1.00 0.00 C ATOM 715 C VAL A 40 0.362 10.698 1.396 1.00 0.00 C ATOM 716 O VAL A 40 -0.697 11.032 1.927 1.00 0.00 O ATOM 717 CB VAL A 40 -0.307 8.489 0.446 1.00 0.00 C ATOM 718 CG1 VAL A 40 -0.747 9.344 -0.732 1.00 0.00 C ATOM 719 CG2 VAL A 40 0.233 7.148 -0.030 1.00 0.00 C ATOM 0 H VAL A 40 0.071 8.688 3.194 1.00 0.00 H new ATOM 0 HA VAL A 40 1.719 9.147 0.790 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.179 8.303 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.495 8.805 -1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.175 10.277 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.114 9.564 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.528 6.639 -0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.121 7.310 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.493 6.534 0.832 1.00 0.00 H new ATOM 729 N HIS A 41 1.226 11.573 0.889 1.00 0.00 N ATOM 730 CA HIS A 41 0.971 13.008 0.929 1.00 0.00 C ATOM 731 C HIS A 41 0.409 13.497 -0.402 1.00 0.00 C ATOM 732 O HIS A 41 1.160 13.828 -1.321 1.00 0.00 O ATOM 733 CB HIS A 41 2.257 13.766 1.262 1.00 0.00 C ATOM 734 CG HIS A 41 2.878 13.350 2.559 1.00 0.00 C ATOM 735 ND1 HIS A 41 3.471 14.240 3.430 1.00 0.00 N ATOM 736 CD2 HIS A 41 2.996 12.130 3.133 1.00 0.00 C ATOM 737 CE1 HIS A 41 3.927 13.585 4.483 1.00 0.00 C ATOM 738 NE2 HIS A 41 3.652 12.303 4.327 1.00 0.00 N ATOM 0 H HIS A 41 2.107 11.313 0.446 1.00 0.00 H new ATOM 0 HA HIS A 41 0.233 13.200 1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.977 13.614 0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.041 14.834 1.298 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.546 15.247 3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.640 11.194 2.727 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.438 14.024 5.328 1.00 0.00 H new ATOM 746 N ILE A 42 -0.916 13.540 -0.499 1.00 0.00 N ATOM 747 CA ILE A 42 -1.578 13.989 -1.718 1.00 0.00 C ATOM 748 C ILE A 42 -1.410 15.492 -1.913 1.00 0.00 C ATOM 749 O ILE A 42 -1.047 16.211 -0.983 1.00 0.00 O ATOM 750 CB ILE A 42 -3.080 13.649 -1.701 1.00 0.00 C ATOM 751 CG1 ILE A 42 -3.646 13.671 -3.122 1.00 0.00 C ATOM 752 CG2 ILE A 42 -3.833 14.625 -0.809 1.00 0.00 C ATOM 753 CD1 ILE A 42 -4.943 12.906 -3.268 1.00 0.00 C ATOM 0 H ILE A 42 -1.552 13.270 0.251 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.104 13.463 -2.547 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.206 12.645 -1.296 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.808 14.706 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.907 13.252 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.893 14.372 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.443 14.564 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.702 15.639 -1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.286 12.965 -4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.782 11.862 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.697 13.339 -2.611 1.00 0.00 H new ATOM 765 N GLU A 43 -1.680 15.960 -3.128 1.00 0.00 N ATOM 766 CA GLU A 43 -1.560 17.378 -3.443 1.00 0.00 C ATOM 767 C GLU A 43 -2.599 18.195 -2.680 1.00 0.00 C ATOM 768 O GLU A 43 -2.267 18.919 -1.741 1.00 0.00 O ATOM 769 CB GLU A 43 -1.723 17.604 -4.948 1.00 0.00 C ATOM 770 CG GLU A 43 -2.212 18.998 -5.305 1.00 0.00 C ATOM 771 CD GLU A 43 -1.735 19.451 -6.671 1.00 0.00 C ATOM 772 OE1 GLU A 43 -0.519 19.352 -6.938 1.00 0.00 O ATOM 773 OE2 GLU A 43 -2.578 19.905 -7.473 1.00 0.00 O ATOM 0 H GLU A 43 -1.983 15.378 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.567 17.709 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.766 17.427 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.425 16.870 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.302 19.014 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.866 19.705 -4.551 1.00 0.00 H new ATOM 780 N ASP A 44 -3.856 18.074 -3.091 1.00 0.00 N ATOM 781 CA ASP A 44 -4.944 18.800 -2.446 1.00 0.00 C ATOM 782 C ASP A 44 -5.738 17.882 -1.521 1.00 0.00 C ATOM 783 O ASP A 44 -5.827 16.676 -1.753 1.00 0.00 O ATOM 784 CB ASP A 44 -5.872 19.411 -3.498 1.00 0.00 C ATOM 785 CG ASP A 44 -5.203 20.518 -4.288 1.00 0.00 C ATOM 786 OD1 ASP A 44 -4.521 21.360 -3.667 1.00 0.00 O ATOM 787 OD2 ASP A 44 -5.361 20.543 -5.527 1.00 0.00 O ATOM 0 H ASP A 44 -4.147 17.480 -3.868 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.509 19.600 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.204 18.630 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.762 19.805 -3.008 1.00 0.00 H new ATOM 792 N LYS A 45 -6.312 18.461 -0.472 1.00 0.00 N ATOM 793 CA LYS A 45 -7.099 17.696 0.488 1.00 0.00 C ATOM 794 C LYS A 45 -8.244 16.966 -0.205 1.00 0.00 C ATOM 795 O LYS A 45 -8.271 15.736 -0.255 1.00 0.00 O ATOM 796 CB LYS A 45 -7.652 18.620 1.576 1.00 0.00 C ATOM 797 CG LYS A 45 -8.445 17.891 2.647 1.00 0.00 C ATOM 798 CD LYS A 45 -8.879 18.834 3.757 1.00 0.00 C ATOM 799 CE LYS A 45 -7.824 18.934 4.848 1.00 0.00 C ATOM 800 NZ LYS A 45 -7.581 17.621 5.508 1.00 0.00 N ATOM 0 H LYS A 45 -6.247 19.458 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.445 16.955 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.824 19.150 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.290 19.373 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.323 17.427 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.839 17.088 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.069 19.824 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.817 18.484 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.892 19.303 4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.142 19.662 5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.230 17.778 6.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.469 17.082 5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.874 17.085 4.965 1.00 0.00 H new ATOM 814 N THR A 46 -9.190 17.732 -0.741 1.00 0.00 N ATOM 815 CA THR A 46 -10.338 17.158 -1.431 1.00 0.00 C ATOM 816 C THR A 46 -9.936 15.930 -2.240 1.00 0.00 C ATOM 817 O THR A 46 -10.645 14.924 -2.252 1.00 0.00 O ATOM 818 CB THR A 46 -10.998 18.184 -2.372 1.00 0.00 C ATOM 819 OG1 THR A 46 -11.382 19.349 -1.634 1.00 0.00 O ATOM 820 CG2 THR A 46 -12.219 17.585 -3.055 1.00 0.00 C ATOM 0 H THR A 46 -9.183 18.752 -0.710 1.00 0.00 H new ATOM 0 HA THR A 46 -11.054 16.866 -0.663 1.00 0.00 H new ATOM 0 HB THR A 46 -10.273 18.461 -3.137 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.799 19.997 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.668 18.328 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.919 16.715 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.946 17.282 -2.301 1.00 0.00 H new ATOM 828 N ALA A 47 -8.793 16.018 -2.912 1.00 0.00 N ATOM 829 CA ALA A 47 -8.295 14.912 -3.721 1.00 0.00 C ATOM 830 C ALA A 47 -8.233 13.623 -2.909 1.00 0.00 C ATOM 831 O ALA A 47 -8.640 12.561 -3.380 1.00 0.00 O ATOM 832 CB ALA A 47 -6.924 15.248 -4.288 1.00 0.00 C ATOM 0 H ALA A 47 -8.194 16.844 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.989 14.757 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.565 14.413 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.996 16.140 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.227 15.432 -3.470 1.00 0.00 H new ATOM 838 N ALA A 48 -7.719 13.723 -1.687 1.00 0.00 N ATOM 839 CA ALA A 48 -7.604 12.565 -0.810 1.00 0.00 C ATOM 840 C ALA A 48 -8.950 11.869 -0.640 1.00 0.00 C ATOM 841 O ALA A 48 -9.135 10.739 -1.090 1.00 0.00 O ATOM 842 CB ALA A 48 -7.049 12.982 0.544 1.00 0.00 C ATOM 0 H ALA A 48 -7.376 14.594 -1.283 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.915 11.858 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.968 12.107 1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.063 13.427 0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.718 13.711 1.003 1.00 0.00 H new ATOM 848 N GLU A 49 -9.886 12.552 0.012 1.00 0.00 N ATOM 849 CA GLU A 49 -11.215 11.997 0.242 1.00 0.00 C ATOM 850 C GLU A 49 -11.671 11.164 -0.953 1.00 0.00 C ATOM 851 O GLU A 49 -12.113 10.026 -0.797 1.00 0.00 O ATOM 852 CB GLU A 49 -12.221 13.119 0.509 1.00 0.00 C ATOM 853 CG GLU A 49 -12.195 13.632 1.938 1.00 0.00 C ATOM 854 CD GLU A 49 -13.173 14.767 2.169 1.00 0.00 C ATOM 855 OE1 GLU A 49 -14.388 14.493 2.268 1.00 0.00 O ATOM 856 OE2 GLU A 49 -12.724 15.930 2.250 1.00 0.00 O ATOM 0 H GLU A 49 -9.749 13.489 0.390 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.164 11.349 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.017 13.947 -0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.224 12.759 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.428 12.813 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.188 13.971 2.180 1.00 0.00 H new ATOM 863 N ASP A 50 -11.559 11.740 -2.145 1.00 0.00 N ATOM 864 CA ASP A 50 -11.959 11.052 -3.367 1.00 0.00 C ATOM 865 C ASP A 50 -11.348 9.655 -3.429 1.00 0.00 C ATOM 866 O ASP A 50 -12.061 8.659 -3.546 1.00 0.00 O ATOM 867 CB ASP A 50 -11.538 11.861 -4.595 1.00 0.00 C ATOM 868 CG ASP A 50 -12.609 12.839 -5.038 1.00 0.00 C ATOM 869 OD1 ASP A 50 -13.800 12.581 -4.763 1.00 0.00 O ATOM 870 OD2 ASP A 50 -12.256 13.863 -5.659 1.00 0.00 O ATOM 0 H ASP A 50 -11.195 12.681 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.045 10.955 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.622 12.407 -4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.310 11.180 -5.415 1.00 0.00 H new ATOM 875 N ALA A 51 -10.022 9.591 -3.351 1.00 0.00 N ATOM 876 CA ALA A 51 -9.315 8.318 -3.398 1.00 0.00 C ATOM 877 C ALA A 51 -9.619 7.475 -2.163 1.00 0.00 C ATOM 878 O ALA A 51 -10.093 6.344 -2.274 1.00 0.00 O ATOM 879 CB ALA A 51 -7.817 8.550 -3.524 1.00 0.00 C ATOM 0 H ALA A 51 -9.417 10.406 -3.255 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.662 7.771 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.302 7.590 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.611 9.105 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.464 9.121 -2.665 1.00 0.00 H new ATOM 885 N ILE A 52 -9.344 8.033 -0.989 1.00 0.00 N ATOM 886 CA ILE A 52 -9.589 7.333 0.265 1.00 0.00 C ATOM 887 C ILE A 52 -10.844 6.472 0.178 1.00 0.00 C ATOM 888 O ILE A 52 -10.781 5.249 0.305 1.00 0.00 O ATOM 889 CB ILE A 52 -9.736 8.317 1.440 1.00 0.00 C ATOM 890 CG1 ILE A 52 -8.462 9.149 1.600 1.00 0.00 C ATOM 891 CG2 ILE A 52 -10.048 7.565 2.725 1.00 0.00 C ATOM 892 CD1 ILE A 52 -8.591 10.264 2.613 1.00 0.00 C ATOM 0 H ILE A 52 -8.951 8.968 -0.880 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.724 6.694 0.443 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.564 8.993 1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -7.644 8.492 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.193 9.576 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.149 8.274 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.980 7.012 2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.239 6.868 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.650 10.811 2.674 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -9.387 10.943 2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.829 9.843 3.590 1.00 0.00 H new ATOM 904 N ARG A 53 -11.985 7.119 -0.042 1.00 0.00 N ATOM 905 CA ARG A 53 -13.256 6.412 -0.148 1.00 0.00 C ATOM 906 C ARG A 53 -13.093 5.115 -0.935 1.00 0.00 C ATOM 907 O ARG A 53 -13.394 4.032 -0.435 1.00 0.00 O ATOM 908 CB ARG A 53 -14.304 7.301 -0.819 1.00 0.00 C ATOM 909 CG ARG A 53 -15.667 6.643 -0.950 1.00 0.00 C ATOM 910 CD ARG A 53 -16.681 7.583 -1.583 1.00 0.00 C ATOM 911 NE ARG A 53 -17.380 8.388 -0.584 1.00 0.00 N ATOM 912 CZ ARG A 53 -18.557 8.964 -0.797 1.00 0.00 C ATOM 913 NH1 ARG A 53 -19.165 8.826 -1.967 1.00 0.00 N ATOM 914 NH2 ARG A 53 -19.129 9.681 0.162 1.00 0.00 N ATOM 0 H ARG A 53 -12.055 8.131 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 53 -13.591 6.165 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.408 8.222 -0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -13.949 7.582 -1.810 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -15.580 5.740 -1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.020 6.335 0.034 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -16.174 8.241 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -17.407 7.003 -2.153 1.00 0.00 H new ATOM 0 HE ARG A 53 -16.939 8.514 0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.729 8.276 -2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -20.069 9.270 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -18.664 9.790 1.063 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -20.033 10.123 -0.002 1.00 0.00 H new ATOM 928 N ASN A 54 -12.616 5.235 -2.170 1.00 0.00 N ATOM 929 CA ASN A 54 -12.415 4.072 -3.027 1.00 0.00 C ATOM 930 C ASN A 54 -11.289 3.191 -2.494 1.00 0.00 C ATOM 931 O ASN A 54 -11.529 2.086 -2.005 1.00 0.00 O ATOM 932 CB ASN A 54 -12.096 4.516 -4.457 1.00 0.00 C ATOM 933 CG ASN A 54 -13.240 5.283 -5.092 1.00 0.00 C ATOM 934 OD1 ASN A 54 -14.104 4.702 -5.748 1.00 0.00 O ATOM 935 ND2 ASN A 54 -13.249 6.597 -4.900 1.00 0.00 N ATOM 0 H ASN A 54 -12.362 6.125 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.337 3.490 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.203 5.141 -4.450 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.868 3.640 -5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.993 7.166 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -12.512 7.037 -4.349 1.00 0.00 H new ATOM 942 N LEU A 55 -10.061 3.687 -2.590 1.00 0.00 N ATOM 943 CA LEU A 55 -8.897 2.946 -2.117 1.00 0.00 C ATOM 944 C LEU A 55 -9.250 2.100 -0.898 1.00 0.00 C ATOM 945 O LEU A 55 -8.785 0.968 -0.759 1.00 0.00 O ATOM 946 CB LEU A 55 -7.760 3.909 -1.771 1.00 0.00 C ATOM 947 CG LEU A 55 -7.153 4.680 -2.945 1.00 0.00 C ATOM 948 CD1 LEU A 55 -6.015 5.568 -2.468 1.00 0.00 C ATOM 949 CD2 LEU A 55 -6.668 3.718 -4.020 1.00 0.00 C ATOM 0 H LEU A 55 -9.845 4.600 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.571 2.281 -2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.130 4.629 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.966 3.342 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.926 5.316 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.595 6.109 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.392 6.280 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.240 4.952 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.239 4.283 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.910 3.056 -3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.507 3.124 -4.382 1.00 0.00 H new ATOM 961 N HIS A 56 -10.076 2.655 -0.017 1.00 0.00 N ATOM 962 CA HIS A 56 -10.493 1.950 1.190 1.00 0.00 C ATOM 963 C HIS A 56 -10.867 0.505 0.873 1.00 0.00 C ATOM 964 O HIS A 56 -11.784 0.247 0.093 1.00 0.00 O ATOM 965 CB HIS A 56 -11.679 2.665 1.839 1.00 0.00 C ATOM 966 CG HIS A 56 -11.780 2.437 3.316 1.00 0.00 C ATOM 967 ND1 HIS A 56 -10.680 2.228 4.122 1.00 0.00 N ATOM 968 CD2 HIS A 56 -12.858 2.387 4.133 1.00 0.00 C ATOM 969 CE1 HIS A 56 -11.079 2.059 5.370 1.00 0.00 C ATOM 970 NE2 HIS A 56 -12.396 2.151 5.404 1.00 0.00 N ATOM 0 H HIS A 56 -10.470 3.591 -0.116 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.655 1.946 1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.596 3.735 1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -12.600 2.328 1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.890 2.510 3.839 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.437 1.876 6.219 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -12.975 2.061 6.239 1.00 0.00 H new ATOM 978 N HIS A 57 -10.149 -0.434 1.482 1.00 0.00 N ATOM 979 CA HIS A 57 -10.405 -1.853 1.264 1.00 0.00 C ATOM 980 C HIS A 57 -10.156 -2.233 -0.192 1.00 0.00 C ATOM 981 O HIS A 57 -10.855 -3.078 -0.752 1.00 0.00 O ATOM 982 CB HIS A 57 -11.842 -2.199 1.655 1.00 0.00 C ATOM 983 CG HIS A 57 -12.191 -1.814 3.059 1.00 0.00 C ATOM 984 ND1 HIS A 57 -11.779 -0.772 3.820 1.00 0.00 N flip ATOM 985 CD2 HIS A 57 -13.061 -2.539 3.845 1.00 0.00 C flip ATOM 986 CE1 HIS A 57 -12.403 -0.885 5.038 1.00 0.00 C flip ATOM 987 NE2 HIS A 57 -13.172 -1.960 5.027 1.00 0.00 N flip ATOM 0 H HIS A 57 -9.386 -0.238 2.130 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.718 -2.421 1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.526 -1.699 0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.995 -3.271 1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.572 -3.440 3.541 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -12.285 -0.206 5.870 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -13.752 -2.287 5.800 1.00 0.00 H new ATOM 995 N TYR A 58 -9.157 -1.603 -0.800 1.00 0.00 N ATOM 996 CA TYR A 58 -8.817 -1.873 -2.192 1.00 0.00 C ATOM 997 C TYR A 58 -8.044 -3.182 -2.320 1.00 0.00 C ATOM 998 O TYR A 58 -6.866 -3.259 -1.970 1.00 0.00 O ATOM 999 CB TYR A 58 -7.992 -0.722 -2.770 1.00 0.00 C ATOM 1000 CG TYR A 58 -7.485 -0.984 -4.170 1.00 0.00 C ATOM 1001 CD1 TYR A 58 -6.307 -1.689 -4.382 1.00 0.00 C ATOM 1002 CD2 TYR A 58 -8.184 -0.527 -5.280 1.00 0.00 C ATOM 1003 CE1 TYR A 58 -5.839 -1.930 -5.660 1.00 0.00 C ATOM 1004 CE2 TYR A 58 -7.724 -0.765 -6.561 1.00 0.00 C ATOM 1005 CZ TYR A 58 -6.551 -1.466 -6.746 1.00 0.00 C ATOM 1006 OH TYR A 58 -6.089 -1.705 -8.020 1.00 0.00 O ATOM 0 H TYR A 58 -8.568 -0.902 -0.351 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.746 -1.964 -2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.600 0.183 -2.776 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.142 -0.530 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.747 -2.055 -3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.102 0.024 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.921 -2.479 -5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.280 -0.404 -7.413 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.707 -1.313 -8.671 1.00 0.00 H new ATOM 1016 N LYS A 59 -8.716 -4.211 -2.826 1.00 0.00 N ATOM 1017 CA LYS A 59 -8.094 -5.518 -3.005 1.00 0.00 C ATOM 1018 C LYS A 59 -6.699 -5.380 -3.606 1.00 0.00 C ATOM 1019 O LYS A 59 -6.550 -5.161 -4.809 1.00 0.00 O ATOM 1020 CB LYS A 59 -8.964 -6.401 -3.903 1.00 0.00 C ATOM 1021 CG LYS A 59 -8.746 -7.888 -3.687 1.00 0.00 C ATOM 1022 CD LYS A 59 -9.909 -8.705 -4.225 1.00 0.00 C ATOM 1023 CE LYS A 59 -9.762 -10.179 -3.879 1.00 0.00 C ATOM 1024 NZ LYS A 59 -8.888 -10.892 -4.852 1.00 0.00 N ATOM 0 H LYS A 59 -9.692 -4.165 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.002 -5.986 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.013 -6.166 -3.723 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.758 -6.160 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.824 -8.197 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.621 -8.088 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.844 -8.325 -3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.967 -8.588 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.345 -10.277 -2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.746 -10.648 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.813 -11.894 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.299 -10.820 -5.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.942 -10.461 -4.849 1.00 0.00 H new ATOM 1038 N LEU A 60 -5.681 -5.510 -2.763 1.00 0.00 N ATOM 1039 CA LEU A 60 -4.297 -5.401 -3.212 1.00 0.00 C ATOM 1040 C LEU A 60 -3.511 -6.661 -2.863 1.00 0.00 C ATOM 1041 O LEU A 60 -2.942 -6.769 -1.777 1.00 0.00 O ATOM 1042 CB LEU A 60 -3.630 -4.178 -2.581 1.00 0.00 C ATOM 1043 CG LEU A 60 -2.299 -3.746 -3.198 1.00 0.00 C ATOM 1044 CD1 LEU A 60 -2.510 -3.225 -4.611 1.00 0.00 C ATOM 1045 CD2 LEU A 60 -1.628 -2.689 -2.333 1.00 0.00 C ATOM 0 H LEU A 60 -5.787 -5.691 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.300 -5.286 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.324 -3.340 -2.640 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.467 -4.383 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.644 -4.616 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.552 -2.922 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.947 -4.011 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.183 -2.368 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.682 -2.394 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.279 -1.819 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.441 -3.097 -1.340 1.00 0.00 H new ATOM 1057 N HIS A 61 -3.481 -7.610 -3.793 1.00 0.00 N ATOM 1058 CA HIS A 61 -2.762 -8.862 -3.584 1.00 0.00 C ATOM 1059 C HIS A 61 -3.515 -9.767 -2.614 1.00 0.00 C ATOM 1060 O HIS A 61 -2.937 -10.293 -1.664 1.00 0.00 O ATOM 1061 CB HIS A 61 -1.356 -8.584 -3.053 1.00 0.00 C ATOM 1062 CG HIS A 61 -0.672 -7.440 -3.737 1.00 0.00 C ATOM 1063 ND1 HIS A 61 -0.601 -7.318 -5.109 1.00 0.00 N ATOM 1064 CD2 HIS A 61 -0.028 -6.363 -3.231 1.00 0.00 C ATOM 1065 CE1 HIS A 61 0.059 -6.215 -5.417 1.00 0.00 C ATOM 1066 NE2 HIS A 61 0.417 -5.617 -4.295 1.00 0.00 N ATOM 0 H HIS A 61 -3.946 -7.536 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.686 -9.373 -4.544 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.415 -8.375 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.749 -9.482 -3.169 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.110 -6.133 -2.185 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.270 -5.863 -6.416 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.939 -4.743 -4.229 1.00 0.00 H new ATOM 1074 N GLY A 62 -4.810 -9.942 -2.860 1.00 0.00 N ATOM 1075 CA GLY A 62 -5.622 -10.783 -1.999 1.00 0.00 C ATOM 1076 C GLY A 62 -5.677 -10.270 -0.574 1.00 0.00 C ATOM 1077 O GLY A 62 -5.786 -11.052 0.371 1.00 0.00 O ATOM 0 H GLY A 62 -5.311 -9.517 -3.640 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.634 -10.840 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.220 -11.796 -2.002 1.00 0.00 H new ATOM 1081 N VAL A 63 -5.601 -8.952 -0.417 1.00 0.00 N ATOM 1082 CA VAL A 63 -5.643 -8.336 0.904 1.00 0.00 C ATOM 1083 C VAL A 63 -6.558 -7.117 0.912 1.00 0.00 C ATOM 1084 O VAL A 63 -6.825 -6.522 -0.131 1.00 0.00 O ATOM 1085 CB VAL A 63 -4.237 -7.913 1.370 1.00 0.00 C ATOM 1086 CG1 VAL A 63 -3.831 -6.600 0.719 1.00 0.00 C ATOM 1087 CG2 VAL A 63 -4.190 -7.802 2.886 1.00 0.00 C ATOM 0 H VAL A 63 -5.510 -8.291 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.035 -9.085 1.592 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.525 -8.679 1.062 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.835 -6.317 1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.823 -6.718 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.543 -5.822 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.190 -7.502 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.912 -7.057 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.434 -8.767 3.329 1.00 0.00 H new ATOM 1097 N ASN A 64 -7.034 -6.749 2.097 1.00 0.00 N ATOM 1098 CA ASN A 64 -7.920 -5.600 2.242 1.00 0.00 C ATOM 1099 C ASN A 64 -7.261 -4.508 3.079 1.00 0.00 C ATOM 1100 O ASN A 64 -7.400 -4.480 4.302 1.00 0.00 O ATOM 1101 CB ASN A 64 -9.240 -6.025 2.887 1.00 0.00 C ATOM 1102 CG ASN A 64 -10.232 -6.563 1.874 1.00 0.00 C ATOM 1103 OD1 ASN A 64 -9.811 -7.562 1.107 1.00 0.00 O flip ATOM 1104 ND2 ASN A 64 -11.363 -6.086 1.782 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.821 -7.230 2.971 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.121 -5.201 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.044 -6.788 3.640 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.680 -5.172 3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.644 -5.318 2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.019 -6.458 1.096 1.00 0.00 H new ATOM 1111 N ILE A 65 -6.544 -3.610 2.411 1.00 0.00 N ATOM 1112 CA ILE A 65 -5.866 -2.515 3.093 1.00 0.00 C ATOM 1113 C ILE A 65 -6.868 -1.549 3.716 1.00 0.00 C ATOM 1114 O ILE A 65 -8.021 -1.477 3.292 1.00 0.00 O ATOM 1115 CB ILE A 65 -4.949 -1.735 2.132 1.00 0.00 C ATOM 1116 CG1 ILE A 65 -5.779 -1.047 1.046 1.00 0.00 C ATOM 1117 CG2 ILE A 65 -3.920 -2.667 1.508 1.00 0.00 C ATOM 1118 CD1 ILE A 65 -5.054 0.091 0.361 1.00 0.00 C ATOM 0 H ILE A 65 -6.418 -3.620 1.399 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.259 -2.962 3.880 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.420 -0.969 2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.068 -1.786 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.699 -0.666 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.280 -2.101 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.312 -3.115 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.431 -3.453 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.702 0.532 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.789 0.849 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.148 -0.287 -0.112 1.00 0.00 H new ATOM 1130 N ASN A 66 -6.420 -0.808 4.724 1.00 0.00 N ATOM 1131 CA ASN A 66 -7.278 0.155 5.405 1.00 0.00 C ATOM 1132 C ASN A 66 -6.783 1.580 5.178 1.00 0.00 C ATOM 1133 O ASN A 66 -5.670 1.932 5.570 1.00 0.00 O ATOM 1134 CB ASN A 66 -7.328 -0.147 6.904 1.00 0.00 C ATOM 1135 CG ASN A 66 -8.385 -1.177 7.251 1.00 0.00 C ATOM 1136 OD1 ASN A 66 -9.548 -1.043 6.869 1.00 0.00 O ATOM 1137 ND2 ASN A 66 -7.985 -2.214 7.979 1.00 0.00 N ATOM 0 H ASN A 66 -5.468 -0.856 5.087 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.282 0.068 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.353 -0.506 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -7.529 0.774 7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -8.652 -2.939 8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.011 -2.285 8.274 1.00 0.00 H new ATOM 1144 N VAL A 67 -7.618 2.397 4.543 1.00 0.00 N ATOM 1145 CA VAL A 67 -7.267 3.784 4.266 1.00 0.00 C ATOM 1146 C VAL A 67 -8.062 4.740 5.148 1.00 0.00 C ATOM 1147 O VAL A 67 -9.287 4.649 5.231 1.00 0.00 O ATOM 1148 CB VAL A 67 -7.514 4.141 2.788 1.00 0.00 C ATOM 1149 CG1 VAL A 67 -6.952 5.518 2.469 1.00 0.00 C ATOM 1150 CG2 VAL A 67 -6.908 3.084 1.877 1.00 0.00 C ATOM 0 H VAL A 67 -8.542 2.122 4.211 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.205 3.891 4.486 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.590 4.166 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.136 5.752 1.421 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.438 6.264 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.879 5.526 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.092 3.352 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.834 3.025 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.364 2.117 2.089 1.00 0.00 H new ATOM 1160 N GLU A 68 -7.358 5.656 5.805 1.00 0.00 N ATOM 1161 CA GLU A 68 -8.000 6.628 6.681 1.00 0.00 C ATOM 1162 C GLU A 68 -7.206 7.931 6.723 1.00 0.00 C ATOM 1163 O GLU A 68 -5.975 7.920 6.732 1.00 0.00 O ATOM 1164 CB GLU A 68 -8.141 6.059 8.095 1.00 0.00 C ATOM 1165 CG GLU A 68 -6.810 5.764 8.767 1.00 0.00 C ATOM 1166 CD GLU A 68 -6.948 4.812 9.940 1.00 0.00 C ATOM 1167 OE1 GLU A 68 -7.283 3.631 9.710 1.00 0.00 O ATOM 1168 OE2 GLU A 68 -6.721 5.249 11.087 1.00 0.00 O ATOM 0 H GLU A 68 -6.344 5.745 5.747 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.992 6.839 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.699 6.766 8.708 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.728 5.142 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.124 5.336 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.366 6.698 9.112 1.00 0.00 H new ATOM 1175 N ALA A 69 -7.920 9.052 6.746 1.00 0.00 N ATOM 1176 CA ALA A 69 -7.283 10.362 6.787 1.00 0.00 C ATOM 1177 C ALA A 69 -6.457 10.531 8.058 1.00 0.00 C ATOM 1178 O ALA A 69 -7.004 10.693 9.149 1.00 0.00 O ATOM 1179 CB ALA A 69 -8.331 11.461 6.686 1.00 0.00 C ATOM 0 H ALA A 69 -8.940 9.079 6.737 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.609 10.438 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.842 12.434 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.876 11.359 5.747 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.027 11.378 7.520 1.00 0.00 H new