USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 536 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 46 THR OG1 : rot -168:sc= 1.15 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 39 MET CE :methyl -132:sc= -0.266 (180deg=-2.11) USER MOD Set 2.2: A 50 TYR OH : rot -15:sc= -0.0211 USER MOD Set 3.1: A 35 TYR OH : rot 15:sc= 0 USER MOD Set 3.2: A 59 THR OG1 : rot -92:sc= 0.563 USER MOD Set 3.3: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 63 GLN : amide:sc= 0.47 K(o=1,f=-0.17) USER MOD Set 4.1: A 12 ASN : amide:sc= 1.07 K(o=2.3,f=-2) USER MOD Set 4.2: A 24 SER OG : rot -91:sc= 1.21 USER MOD Single : A 7 ASN : amide:sc= -0.225 K(o=-0.23,f=-0.9) USER MOD Single : A 8 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.5!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -150:sc= 0.78 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4.8!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.4) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0794 (180deg=-0.331) USER MOD Single : A 41 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0678) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.0471 (180deg=-0.362) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 159:sc= -0.082 (180deg=-0.536) USER MOD Single : A 52 SER OG : rot 180:sc= 0.257 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.2 K(o=1.2,f=-0.54) USER MOD Single : A 69 TYR OH : rot -87:sc= 0.86 USER MOD Single : A 70 GLN : amide:sc= 0.983 K(o=0.98,f=-0.035) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 1.75 (180deg=1.48) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 12.301 9.015 1.627 1.00 0.00 N ATOM 96 CA ASN A 7 11.901 7.636 1.852 1.00 0.00 C ATOM 97 C ASN A 7 10.448 7.447 1.455 1.00 0.00 C ATOM 98 O ASN A 7 9.549 8.063 2.027 1.00 0.00 O ATOM 99 CB ASN A 7 12.125 7.240 3.311 1.00 0.00 C ATOM 100 CG ASN A 7 13.599 7.168 3.667 1.00 0.00 C ATOM 101 OD1 ASN A 7 14.436 6.810 2.835 1.00 0.00 O ATOM 102 ND2 ASN A 7 13.928 7.517 4.898 1.00 0.00 N ATOM 0 HA ASN A 7 12.518 6.985 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.631 7.962 3.961 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.660 6.272 3.498 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.905 7.496 5.190 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.205 7.807 5.556 1.00 0.00 H new ATOM 109 N GLN A 8 10.235 6.608 0.456 1.00 0.00 N ATOM 110 CA GLN A 8 8.922 6.436 -0.135 1.00 0.00 C ATOM 111 C GLN A 8 8.340 5.068 0.186 1.00 0.00 C ATOM 112 O GLN A 8 8.893 4.035 -0.196 1.00 0.00 O ATOM 113 CB GLN A 8 9.015 6.626 -1.650 1.00 0.00 C ATOM 114 CG GLN A 8 9.381 8.044 -2.059 1.00 0.00 C ATOM 115 CD GLN A 8 10.105 8.095 -3.390 1.00 0.00 C ATOM 116 OE1 GLN A 8 10.831 7.166 -3.749 1.00 0.00 O ATOM 117 NE2 GLN A 8 9.914 9.172 -4.131 1.00 0.00 N ATOM 0 H GLN A 8 10.963 6.031 0.035 1.00 0.00 H new ATOM 0 HA GLN A 8 8.255 7.186 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.759 5.937 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.059 6.361 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.475 8.647 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.011 8.490 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.305 9.919 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.376 9.256 -5.037 1.00 0.00 H new ATOM 126 N VAL A 9 7.232 5.070 0.908 1.00 0.00 N ATOM 127 CA VAL A 9 6.491 3.852 1.172 1.00 0.00 C ATOM 128 C VAL A 9 5.319 3.755 0.203 1.00 0.00 C ATOM 129 O VAL A 9 4.403 4.575 0.238 1.00 0.00 O ATOM 130 CB VAL A 9 5.973 3.793 2.627 1.00 0.00 C ATOM 131 CG1 VAL A 9 5.122 2.553 2.848 1.00 0.00 C ATOM 132 CG2 VAL A 9 7.132 3.815 3.608 1.00 0.00 C ATOM 0 H VAL A 9 6.825 5.908 1.323 1.00 0.00 H new ATOM 0 HA VAL A 9 7.168 3.009 1.031 1.00 0.00 H new ATOM 0 HB VAL A 9 5.352 4.672 2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.769 2.533 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.267 2.573 2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.719 1.662 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.747 3.773 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.777 2.955 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.705 4.733 3.474 1.00 0.00 H new ATOM 142 N THR A 10 5.368 2.765 -0.670 1.00 0.00 N ATOM 143 CA THR A 10 4.362 2.603 -1.698 1.00 0.00 C ATOM 144 C THR A 10 3.230 1.701 -1.211 1.00 0.00 C ATOM 145 O THR A 10 3.422 0.501 -1.000 1.00 0.00 O ATOM 146 CB THR A 10 4.974 2.012 -2.982 1.00 0.00 C ATOM 147 OG1 THR A 10 6.217 2.668 -3.267 1.00 0.00 O ATOM 148 CG2 THR A 10 4.031 2.184 -4.164 1.00 0.00 C ATOM 0 H THR A 10 6.102 2.057 -0.685 1.00 0.00 H new ATOM 0 HA THR A 10 3.960 3.591 -1.922 1.00 0.00 H new ATOM 0 HB THR A 10 5.142 0.947 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.607 2.290 -4.083 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.487 1.758 -5.058 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.091 1.672 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.839 3.245 -4.325 1.00 0.00 H new ATOM 156 N VAL A 11 2.072 2.296 -1.001 1.00 0.00 N ATOM 157 CA VAL A 11 0.882 1.561 -0.619 1.00 0.00 C ATOM 158 C VAL A 11 0.155 1.076 -1.868 1.00 0.00 C ATOM 159 O VAL A 11 -0.348 1.882 -2.656 1.00 0.00 O ATOM 160 CB VAL A 11 -0.067 2.433 0.230 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.348 1.684 0.564 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.625 2.900 1.505 1.00 0.00 C ATOM 0 H VAL A 11 1.930 3.302 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 11 1.189 0.707 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.332 3.310 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.997 2.323 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.860 1.409 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.106 0.783 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.062 3.513 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.927 2.034 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.506 3.488 1.247 1.00 0.00 H new ATOM 172 N ASN A 12 0.118 -0.232 -2.052 1.00 0.00 N ATOM 173 CA ASN A 12 -0.508 -0.822 -3.227 1.00 0.00 C ATOM 174 C ASN A 12 -1.875 -1.373 -2.879 1.00 0.00 C ATOM 175 O ASN A 12 -2.002 -2.276 -2.052 1.00 0.00 O ATOM 176 CB ASN A 12 0.360 -1.943 -3.808 1.00 0.00 C ATOM 177 CG ASN A 12 1.612 -1.430 -4.484 1.00 0.00 C ATOM 178 OD1 ASN A 12 1.638 -0.323 -5.018 1.00 0.00 O ATOM 179 ND2 ASN A 12 2.664 -2.235 -4.472 1.00 0.00 N ATOM 0 H ASN A 12 0.515 -0.910 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.615 -0.036 -3.975 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.640 -2.629 -3.009 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.227 -2.514 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.535 -1.943 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.603 -3.147 -4.018 1.00 0.00 H new ATOM 186 N TYR A 13 -2.899 -0.813 -3.502 1.00 0.00 N ATOM 187 CA TYR A 13 -4.256 -1.305 -3.331 1.00 0.00 C ATOM 188 C TYR A 13 -4.516 -2.433 -4.318 1.00 0.00 C ATOM 189 O TYR A 13 -4.958 -2.205 -5.446 1.00 0.00 O ATOM 190 CB TYR A 13 -5.269 -0.176 -3.525 1.00 0.00 C ATOM 191 CG TYR A 13 -5.161 0.921 -2.486 1.00 0.00 C ATOM 192 CD1 TYR A 13 -4.329 2.017 -2.683 1.00 0.00 C ATOM 193 CD2 TYR A 13 -5.890 0.857 -1.305 1.00 0.00 C ATOM 194 CE1 TYR A 13 -4.229 3.017 -1.735 1.00 0.00 C ATOM 195 CE2 TYR A 13 -5.796 1.854 -0.353 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.965 2.929 -0.572 1.00 0.00 C ATOM 197 OH TYR A 13 -4.870 3.923 0.375 1.00 0.00 O ATOM 0 H TYR A 13 -2.816 -0.015 -4.132 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.370 -1.686 -2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.131 0.258 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.275 -0.593 -3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.751 2.088 -3.593 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.541 0.014 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.578 3.862 -1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.372 1.790 0.558 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.025 3.543 1.265 1.00 0.00 H new ATOM 207 N LEU A 14 -4.213 -3.646 -3.889 1.00 0.00 N ATOM 208 CA LEU A 14 -4.294 -4.810 -4.750 1.00 0.00 C ATOM 209 C LEU A 14 -5.657 -5.471 -4.624 1.00 0.00 C ATOM 210 O LEU A 14 -6.372 -5.251 -3.651 1.00 0.00 O ATOM 211 CB LEU A 14 -3.192 -5.806 -4.380 1.00 0.00 C ATOM 212 CG LEU A 14 -1.770 -5.243 -4.438 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.773 -6.256 -3.906 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.413 -4.845 -5.860 1.00 0.00 C ATOM 0 H LEU A 14 -3.905 -3.850 -2.938 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.158 -4.492 -5.784 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.380 -6.176 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.256 -6.663 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.727 -4.354 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.232 -5.838 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.016 -6.496 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.819 -7.163 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.399 -4.447 -5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.474 -5.719 -6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.110 -4.083 -6.210 1.00 0.00 H new ATOM 226 N ASP A 15 -6.013 -6.271 -5.614 1.00 0.00 N ATOM 227 CA ASP A 15 -7.266 -7.012 -5.591 1.00 0.00 C ATOM 228 C ASP A 15 -7.114 -8.361 -6.268 1.00 0.00 C ATOM 229 O ASP A 15 -6.759 -8.428 -7.443 1.00 0.00 O ATOM 230 CB ASP A 15 -8.379 -6.210 -6.275 1.00 0.00 C ATOM 231 CG ASP A 15 -9.467 -7.089 -6.878 1.00 0.00 C ATOM 232 OD1 ASP A 15 -10.213 -7.759 -6.125 1.00 0.00 O ATOM 233 OD2 ASP A 15 -9.571 -7.127 -8.123 1.00 0.00 O ATOM 0 H ASP A 15 -5.449 -6.426 -6.450 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.536 -7.176 -4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.829 -5.533 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.943 -5.592 -7.060 1.00 0.00 H new ATOM 238 N GLU A 16 -7.342 -9.416 -5.486 1.00 0.00 N ATOM 239 CA GLU A 16 -7.493 -10.790 -5.975 1.00 0.00 C ATOM 240 C GLU A 16 -6.315 -11.271 -6.832 1.00 0.00 C ATOM 241 O GLU A 16 -5.444 -11.995 -6.348 1.00 0.00 O ATOM 242 CB GLU A 16 -8.802 -10.901 -6.752 1.00 0.00 C ATOM 243 CG GLU A 16 -9.179 -12.316 -7.133 1.00 0.00 C ATOM 244 CD GLU A 16 -10.541 -12.370 -7.782 1.00 0.00 C ATOM 245 OE1 GLU A 16 -10.689 -11.841 -8.900 1.00 0.00 O ATOM 246 OE2 GLU A 16 -11.479 -12.904 -7.158 1.00 0.00 O ATOM 0 H GLU A 16 -7.429 -9.340 -4.473 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.509 -11.444 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.605 -10.472 -6.152 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.725 -10.301 -7.659 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.433 -12.721 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.173 -12.947 -6.244 1.00 0.00 H new ATOM 253 N ASN A 17 -6.291 -10.854 -8.094 1.00 0.00 N ATOM 254 CA ASN A 17 -5.270 -11.286 -9.044 1.00 0.00 C ATOM 255 C ASN A 17 -3.973 -10.507 -8.848 1.00 0.00 C ATOM 256 O ASN A 17 -3.100 -10.518 -9.717 1.00 0.00 O ATOM 257 CB ASN A 17 -5.771 -11.109 -10.483 1.00 0.00 C ATOM 258 CG ASN A 17 -6.966 -11.989 -10.800 1.00 0.00 C ATOM 259 OD1 ASN A 17 -6.815 -13.129 -11.241 1.00 0.00 O ATOM 260 ND2 ASN A 17 -8.165 -11.460 -10.594 1.00 0.00 N ATOM 0 H ASN A 17 -6.976 -10.209 -8.487 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.069 -12.342 -8.862 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.041 -10.065 -10.643 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.962 -11.339 -11.176 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.004 -12.001 -10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.248 -10.512 -10.227 1.00 0.00 H new ATOM 267 N ASN A 18 -3.866 -9.823 -7.705 1.00 0.00 N ATOM 268 CA ASN A 18 -2.646 -9.108 -7.318 1.00 0.00 C ATOM 269 C ASN A 18 -2.461 -7.861 -8.188 1.00 0.00 C ATOM 270 O ASN A 18 -1.362 -7.324 -8.320 1.00 0.00 O ATOM 271 CB ASN A 18 -1.426 -10.042 -7.418 1.00 0.00 C ATOM 272 CG ASN A 18 -0.171 -9.469 -6.783 1.00 0.00 C ATOM 273 OD1 ASN A 18 -0.238 -8.696 -5.835 1.00 0.00 O ATOM 274 ND2 ASN A 18 0.985 -9.860 -7.299 1.00 0.00 N ATOM 0 H ASN A 18 -4.621 -9.749 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.740 -8.784 -6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.665 -10.991 -6.939 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.227 -10.256 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.861 -9.516 -6.906 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.999 -10.505 -8.089 1.00 0.00 H new ATOM 281 N THR A 19 -3.559 -7.401 -8.771 1.00 0.00 N ATOM 282 CA THR A 19 -3.544 -6.212 -9.602 1.00 0.00 C ATOM 283 C THR A 19 -4.007 -5.001 -8.796 1.00 0.00 C ATOM 284 O THR A 19 -4.935 -5.102 -7.995 1.00 0.00 O ATOM 285 CB THR A 19 -4.461 -6.397 -10.825 1.00 0.00 C ATOM 286 OG1 THR A 19 -4.224 -7.682 -11.416 1.00 0.00 O ATOM 287 CG2 THR A 19 -4.219 -5.309 -11.861 1.00 0.00 C ATOM 0 H THR A 19 -4.476 -7.839 -8.681 1.00 0.00 H new ATOM 0 HA THR A 19 -2.523 -6.047 -9.946 1.00 0.00 H new ATOM 0 HB THR A 19 -5.496 -6.329 -10.489 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.810 -7.798 -12.193 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.880 -5.465 -12.713 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.421 -4.334 -11.418 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.182 -5.348 -12.194 1.00 0.00 H new ATOM 295 N SER A 20 -3.340 -3.872 -8.991 1.00 0.00 N ATOM 296 CA SER A 20 -3.707 -2.639 -8.310 1.00 0.00 C ATOM 297 C SER A 20 -4.949 -2.024 -8.951 1.00 0.00 C ATOM 298 O SER A 20 -4.904 -1.537 -10.082 1.00 0.00 O ATOM 299 CB SER A 20 -2.541 -1.643 -8.357 1.00 0.00 C ATOM 300 OG SER A 20 -1.337 -2.241 -7.902 1.00 0.00 O ATOM 0 H SER A 20 -2.540 -3.785 -9.617 1.00 0.00 H new ATOM 0 HA SER A 20 -3.932 -2.871 -7.269 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.408 -1.282 -9.377 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.775 -0.775 -7.740 1.00 0.00 H new ATOM 0 HG SER A 20 -0.610 -1.585 -7.944 1.00 0.00 H new ATOM 306 N ILE A 21 -6.064 -2.065 -8.229 1.00 0.00 N ATOM 307 CA ILE A 21 -7.311 -1.481 -8.712 1.00 0.00 C ATOM 308 C ILE A 21 -7.363 0.008 -8.397 1.00 0.00 C ATOM 309 O ILE A 21 -8.217 0.739 -8.901 1.00 0.00 O ATOM 310 CB ILE A 21 -8.545 -2.179 -8.108 1.00 0.00 C ATOM 311 CG1 ILE A 21 -8.457 -2.199 -6.578 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.677 -3.591 -8.663 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.670 -2.805 -5.906 1.00 0.00 C ATOM 0 H ILE A 21 -6.130 -2.497 -7.307 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.334 -1.626 -9.792 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.436 -1.616 -8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.571 -2.760 -6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.325 -1.179 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.553 -4.073 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.788 -3.547 -9.746 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.785 -4.165 -8.412 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.535 -2.784 -4.825 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.558 -2.231 -6.172 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.792 -3.836 -6.237 1.00 0.00 H new ATOM 325 N ALA A 22 -6.436 0.449 -7.563 1.00 0.00 N ATOM 326 CA ALA A 22 -6.307 1.854 -7.227 1.00 0.00 C ATOM 327 C ALA A 22 -4.845 2.262 -7.319 1.00 0.00 C ATOM 328 O ALA A 22 -3.964 1.477 -6.961 1.00 0.00 O ATOM 329 CB ALA A 22 -6.862 2.126 -5.833 1.00 0.00 C ATOM 0 H ALA A 22 -5.755 -0.155 -7.102 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.886 2.448 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.756 3.185 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.916 1.851 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.311 1.536 -5.101 1.00 0.00 H new ATOM 335 N PRO A 23 -4.571 3.475 -7.825 1.00 0.00 N ATOM 336 CA PRO A 23 -3.205 3.982 -7.985 1.00 0.00 C ATOM 337 C PRO A 23 -2.406 3.904 -6.691 1.00 0.00 C ATOM 338 O PRO A 23 -2.923 4.207 -5.609 1.00 0.00 O ATOM 339 CB PRO A 23 -3.395 5.447 -8.410 1.00 0.00 C ATOM 340 CG PRO A 23 -4.834 5.753 -8.169 1.00 0.00 C ATOM 341 CD PRO A 23 -5.565 4.449 -8.287 1.00 0.00 C ATOM 0 HA PRO A 23 -2.642 3.392 -8.709 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.751 6.109 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.135 5.587 -9.459 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.978 6.192 -7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.206 6.475 -8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.464 4.432 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.878 4.252 -9.312 1.00 0.00 H new ATOM 349 N SER A 24 -1.150 3.499 -6.810 1.00 0.00 N ATOM 350 CA SER A 24 -0.276 3.334 -5.661 1.00 0.00 C ATOM 351 C SER A 24 -0.126 4.639 -4.886 1.00 0.00 C ATOM 352 O SER A 24 0.132 5.697 -5.463 1.00 0.00 O ATOM 353 CB SER A 24 1.093 2.839 -6.121 1.00 0.00 C ATOM 354 OG SER A 24 0.979 1.610 -6.820 1.00 0.00 O ATOM 0 H SER A 24 -0.711 3.277 -7.703 1.00 0.00 H new ATOM 0 HA SER A 24 -0.725 2.598 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.557 3.586 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.747 2.712 -5.258 1.00 0.00 H new ATOM 0 HG SER A 24 1.065 0.865 -6.189 1.00 0.00 H new ATOM 360 N LEU A 25 -0.309 4.559 -3.582 1.00 0.00 N ATOM 361 CA LEU A 25 -0.153 5.711 -2.715 1.00 0.00 C ATOM 362 C LEU A 25 1.249 5.713 -2.122 1.00 0.00 C ATOM 363 O LEU A 25 1.561 4.905 -1.252 1.00 0.00 O ATOM 364 CB LEU A 25 -1.207 5.682 -1.605 1.00 0.00 C ATOM 365 CG LEU A 25 -1.144 6.831 -0.598 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.435 8.162 -1.274 1.00 0.00 C ATOM 367 CD2 LEU A 25 -2.123 6.584 0.541 1.00 0.00 C ATOM 0 H LEU A 25 -0.568 3.700 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.293 6.623 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.194 5.682 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.110 4.742 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.135 6.875 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.384 8.963 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.698 8.342 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.432 8.136 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.070 7.408 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.135 6.514 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.867 5.653 1.046 1.00 0.00 H new ATOM 379 N TYR A 26 2.094 6.601 -2.606 1.00 0.00 N ATOM 380 CA TYR A 26 3.480 6.649 -2.165 1.00 0.00 C ATOM 381 C TYR A 26 3.683 7.728 -1.109 1.00 0.00 C ATOM 382 O TYR A 26 3.557 8.922 -1.380 1.00 0.00 O ATOM 383 CB TYR A 26 4.422 6.858 -3.363 1.00 0.00 C ATOM 384 CG TYR A 26 3.991 7.961 -4.311 1.00 0.00 C ATOM 385 CD1 TYR A 26 3.030 7.724 -5.286 1.00 0.00 C ATOM 386 CD2 TYR A 26 4.538 9.234 -4.225 1.00 0.00 C ATOM 387 CE1 TYR A 26 2.626 8.725 -6.147 1.00 0.00 C ATOM 388 CE2 TYR A 26 4.136 10.242 -5.080 1.00 0.00 C ATOM 389 CZ TYR A 26 3.181 9.982 -6.040 1.00 0.00 C ATOM 390 OH TYR A 26 2.768 10.987 -6.886 1.00 0.00 O ATOM 0 H TYR A 26 1.848 7.301 -3.306 1.00 0.00 H new ATOM 0 HA TYR A 26 3.724 5.691 -1.706 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.421 7.085 -2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.495 5.924 -3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.592 6.741 -5.372 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.290 9.440 -3.478 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.879 8.524 -6.901 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.568 11.229 -4.997 1.00 0.00 H new ATOM 0 HH TYR A 26 3.257 11.811 -6.678 1.00 0.00 H new ATOM 400 N LEU A 27 3.970 7.293 0.105 1.00 0.00 N ATOM 401 CA LEU A 27 4.218 8.208 1.206 1.00 0.00 C ATOM 402 C LEU A 27 5.682 8.609 1.241 1.00 0.00 C ATOM 403 O LEU A 27 6.562 7.760 1.358 1.00 0.00 O ATOM 404 CB LEU A 27 3.819 7.567 2.536 1.00 0.00 C ATOM 405 CG LEU A 27 2.327 7.282 2.690 1.00 0.00 C ATOM 406 CD1 LEU A 27 2.065 6.473 3.949 1.00 0.00 C ATOM 407 CD2 LEU A 27 1.536 8.582 2.718 1.00 0.00 C ATOM 0 H LEU A 27 4.037 6.306 0.355 1.00 0.00 H new ATOM 0 HA LEU A 27 3.612 9.101 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.367 6.631 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.135 8.222 3.348 1.00 0.00 H new ATOM 0 HG LEU A 27 1.999 6.697 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.996 6.280 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.601 5.526 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.409 7.032 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.475 8.360 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.868 9.192 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.698 9.127 1.788 1.00 0.00 H new ATOM 419 N SER A 28 5.930 9.900 1.119 1.00 0.00 N ATOM 420 CA SER A 28 7.284 10.427 1.165 1.00 0.00 C ATOM 421 C SER A 28 7.566 11.001 2.552 1.00 0.00 C ATOM 422 O SER A 28 6.912 11.957 2.984 1.00 0.00 O ATOM 423 CB SER A 28 7.467 11.505 0.088 1.00 0.00 C ATOM 424 OG SER A 28 8.826 11.893 -0.036 1.00 0.00 O ATOM 0 H SER A 28 5.208 10.608 0.986 1.00 0.00 H new ATOM 0 HA SER A 28 7.991 9.621 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.107 11.129 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.861 12.376 0.337 1.00 0.00 H new ATOM 0 HG SER A 28 8.908 12.579 -0.731 1.00 0.00 H new ATOM 430 N GLY A 29 8.517 10.408 3.256 1.00 0.00 N ATOM 431 CA GLY A 29 8.831 10.858 4.595 1.00 0.00 C ATOM 432 C GLY A 29 10.304 10.743 4.920 1.00 0.00 C ATOM 433 O GLY A 29 11.116 10.415 4.052 1.00 0.00 O ATOM 0 H GLY A 29 9.077 9.623 2.924 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.518 11.896 4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.258 10.273 5.314 1.00 0.00 H new ATOM 437 N LEU A 30 10.646 11.009 6.169 1.00 0.00 N ATOM 438 CA LEU A 30 12.031 10.947 6.615 1.00 0.00 C ATOM 439 C LEU A 30 12.311 9.609 7.285 1.00 0.00 C ATOM 440 O LEU A 30 11.388 8.852 7.580 1.00 0.00 O ATOM 441 CB LEU A 30 12.329 12.097 7.581 1.00 0.00 C ATOM 442 CG LEU A 30 12.147 13.501 6.999 1.00 0.00 C ATOM 443 CD1 LEU A 30 12.436 14.557 8.054 1.00 0.00 C ATOM 444 CD2 LEU A 30 13.046 13.703 5.787 1.00 0.00 C ATOM 0 H LEU A 30 9.981 11.271 6.897 1.00 0.00 H new ATOM 0 HA LEU A 30 12.682 11.044 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.682 11.995 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.356 11.997 7.933 1.00 0.00 H new ATOM 0 HG LEU A 30 11.110 13.605 6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.302 15.549 7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.751 14.430 8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.463 14.450 8.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.900 14.707 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.088 13.577 6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.794 12.970 5.021 1.00 0.00 H new ATOM 456 N PHE A 31 13.582 9.315 7.521 1.00 0.00 N ATOM 457 CA PHE A 31 13.969 8.045 8.122 1.00 0.00 C ATOM 458 C PHE A 31 13.401 7.893 9.530 1.00 0.00 C ATOM 459 O PHE A 31 13.424 8.835 10.325 1.00 0.00 O ATOM 460 CB PHE A 31 15.495 7.905 8.159 1.00 0.00 C ATOM 461 CG PHE A 31 15.961 6.683 8.902 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.795 5.420 8.360 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.550 6.801 10.150 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.212 4.296 9.048 1.00 0.00 C ATOM 465 CE2 PHE A 31 16.967 5.682 10.844 1.00 0.00 C ATOM 466 CZ PHE A 31 16.797 4.429 10.292 1.00 0.00 C ATOM 0 H PHE A 31 14.362 9.937 7.306 1.00 0.00 H new ATOM 0 HA PHE A 31 13.553 7.253 7.500 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.875 7.868 7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.923 8.792 8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 31 15.335 5.312 7.389 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.685 7.780 10.586 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.081 3.316 8.614 1.00 0.00 H new ATOM 0 HE2 PHE A 31 17.425 5.788 11.816 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.121 3.552 10.833 1.00 0.00 H new ATOM 476 N ASN A 32 12.875 6.697 9.808 1.00 0.00 N ATOM 477 CA ASN A 32 12.406 6.317 11.144 1.00 0.00 C ATOM 478 C ASN A 32 11.145 7.088 11.532 1.00 0.00 C ATOM 479 O ASN A 32 10.715 7.064 12.683 1.00 0.00 O ATOM 480 CB ASN A 32 13.515 6.536 12.185 1.00 0.00 C ATOM 481 CG ASN A 32 13.226 5.868 13.518 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.600 4.810 13.579 1.00 0.00 O ATOM 483 ND2 ASN A 32 13.682 6.485 14.594 1.00 0.00 N ATOM 0 H ASN A 32 12.762 5.962 9.110 1.00 0.00 H new ATOM 0 HA ASN A 32 12.153 5.257 11.121 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.456 6.152 11.790 1.00 0.00 H new ATOM 0 HB3 ASN A 32 13.649 7.606 12.344 1.00 0.00 H new ATOM 0 HD21 ASN A 32 13.519 6.086 15.518 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.197 7.361 14.500 1.00 0.00 H new ATOM 490 N GLU A 33 10.537 7.752 10.558 1.00 0.00 N ATOM 491 CA GLU A 33 9.316 8.499 10.804 1.00 0.00 C ATOM 492 C GLU A 33 8.113 7.563 10.759 1.00 0.00 C ATOM 493 O GLU A 33 7.969 6.772 9.827 1.00 0.00 O ATOM 494 CB GLU A 33 9.166 9.624 9.775 1.00 0.00 C ATOM 495 CG GLU A 33 7.863 10.395 9.896 1.00 0.00 C ATOM 496 CD GLU A 33 7.778 11.559 8.931 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.837 11.332 7.706 1.00 0.00 O ATOM 498 OE2 GLU A 33 7.625 12.709 9.397 1.00 0.00 O ATOM 0 H GLU A 33 10.870 7.787 9.594 1.00 0.00 H new ATOM 0 HA GLU A 33 9.369 8.948 11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.999 10.318 9.885 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.235 9.199 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.028 9.718 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.759 10.766 10.916 1.00 0.00 H new ATOM 505 N ALA A 34 7.274 7.636 11.781 1.00 0.00 N ATOM 506 CA ALA A 34 6.078 6.810 11.851 1.00 0.00 C ATOM 507 C ALA A 34 5.008 7.339 10.903 1.00 0.00 C ATOM 508 O ALA A 34 4.673 8.524 10.933 1.00 0.00 O ATOM 509 CB ALA A 34 5.553 6.758 13.279 1.00 0.00 C ATOM 0 H ALA A 34 7.400 8.262 12.577 1.00 0.00 H new ATOM 0 HA ALA A 34 6.337 5.797 11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.658 6.137 13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.316 6.334 13.932 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.308 7.766 13.614 1.00 0.00 H new ATOM 515 N TYR A 35 4.485 6.466 10.056 1.00 0.00 N ATOM 516 CA TYR A 35 3.474 6.865 9.084 1.00 0.00 C ATOM 517 C TYR A 35 2.120 6.238 9.405 1.00 0.00 C ATOM 518 O TYR A 35 2.028 5.303 10.205 1.00 0.00 O ATOM 519 CB TYR A 35 3.912 6.489 7.662 1.00 0.00 C ATOM 520 CG TYR A 35 4.282 5.031 7.485 1.00 0.00 C ATOM 521 CD1 TYR A 35 3.304 4.050 7.402 1.00 0.00 C ATOM 522 CD2 TYR A 35 5.612 4.639 7.398 1.00 0.00 C ATOM 523 CE1 TYR A 35 3.637 2.722 7.242 1.00 0.00 C ATOM 524 CE2 TYR A 35 5.953 3.312 7.235 1.00 0.00 C ATOM 525 CZ TYR A 35 4.962 2.357 7.160 1.00 0.00 C ATOM 526 OH TYR A 35 5.293 1.033 7.003 1.00 0.00 O ATOM 0 H TYR A 35 4.741 5.479 10.020 1.00 0.00 H new ATOM 0 HA TYR A 35 3.367 7.948 9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.106 6.733 6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.768 7.104 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.263 4.332 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.391 5.384 7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.863 1.972 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.991 3.023 7.167 1.00 0.00 H new ATOM 0 HH TYR A 35 4.499 0.527 6.732 1.00 0.00 H new ATOM 536 N ASN A 36 1.079 6.765 8.781 1.00 0.00 N ATOM 537 CA ASN A 36 -0.273 6.249 8.950 1.00 0.00 C ATOM 538 C ASN A 36 -0.775 5.666 7.632 1.00 0.00 C ATOM 539 O ASN A 36 -0.654 6.296 6.583 1.00 0.00 O ATOM 540 CB ASN A 36 -1.204 7.366 9.436 1.00 0.00 C ATOM 541 CG ASN A 36 -2.666 6.954 9.458 1.00 0.00 C ATOM 542 OD1 ASN A 36 -3.133 6.331 10.411 1.00 0.00 O ATOM 543 ND2 ASN A 36 -3.405 7.333 8.427 1.00 0.00 N ATOM 0 H ASN A 36 1.145 7.560 8.145 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.264 5.457 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.903 7.671 10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.087 8.236 8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.400 7.110 8.403 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.979 7.848 7.656 1.00 0.00 H new ATOM 550 N VAL A 37 -1.320 4.456 7.688 1.00 0.00 N ATOM 551 CA VAL A 37 -1.770 3.764 6.485 1.00 0.00 C ATOM 552 C VAL A 37 -3.291 3.761 6.383 1.00 0.00 C ATOM 553 O VAL A 37 -3.974 3.124 7.186 1.00 0.00 O ATOM 554 CB VAL A 37 -1.275 2.303 6.449 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.642 1.641 5.129 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.222 2.235 6.680 1.00 0.00 C ATOM 0 H VAL A 37 -1.461 3.934 8.553 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.347 4.309 5.641 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.770 1.760 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.283 0.612 5.126 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.725 1.648 5.007 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.181 2.188 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.548 1.195 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.736 2.799 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.460 2.662 7.654 1.00 0.00 H new ATOM 566 N PRO A 38 -3.843 4.484 5.401 1.00 0.00 N ATOM 567 CA PRO A 38 -5.274 4.491 5.128 1.00 0.00 C ATOM 568 C PRO A 38 -5.697 3.291 4.282 1.00 0.00 C ATOM 569 O PRO A 38 -5.287 3.161 3.123 1.00 0.00 O ATOM 570 CB PRO A 38 -5.493 5.802 4.348 1.00 0.00 C ATOM 571 CG PRO A 38 -4.146 6.454 4.239 1.00 0.00 C ATOM 572 CD PRO A 38 -3.129 5.378 4.489 1.00 0.00 C ATOM 0 HA PRO A 38 -5.864 4.428 6.042 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.910 5.603 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.199 6.451 4.867 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.008 6.896 3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.045 7.260 4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.837 4.872 3.569 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.218 5.775 4.938 1.00 0.00 H new ATOM 580 N MET A 39 -6.497 2.408 4.869 1.00 0.00 N ATOM 581 CA MET A 39 -7.030 1.257 4.148 1.00 0.00 C ATOM 582 C MET A 39 -8.037 1.715 3.107 1.00 0.00 C ATOM 583 O MET A 39 -7.877 1.454 1.917 1.00 0.00 O ATOM 584 CB MET A 39 -7.725 0.282 5.104 1.00 0.00 C ATOM 585 CG MET A 39 -6.802 -0.410 6.085 1.00 0.00 C ATOM 586 SD MET A 39 -7.708 -1.509 7.193 1.00 0.00 S ATOM 587 CE MET A 39 -6.370 -2.201 8.152 1.00 0.00 C ATOM 0 H MET A 39 -6.791 2.467 5.844 1.00 0.00 H new ATOM 0 HA MET A 39 -6.193 0.751 3.666 1.00 0.00 H new ATOM 0 HB2 MET A 39 -8.487 0.825 5.664 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.242 -0.476 4.515 1.00 0.00 H new ATOM 0 HG2 MET A 39 -6.052 -0.982 5.538 1.00 0.00 H new ATOM 0 HG3 MET A 39 -6.267 0.338 6.671 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.479 -3.284 8.200 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.419 -1.952 7.682 1.00 0.00 H new ATOM 0 HE3 MET A 39 -6.394 -1.789 9.161 1.00 0.00 H new ATOM 597 N LYS A 40 -9.065 2.414 3.591 1.00 0.00 N ATOM 598 CA LYS A 40 -10.186 2.869 2.774 1.00 0.00 C ATOM 599 C LYS A 40 -10.957 1.692 2.183 1.00 0.00 C ATOM 600 O LYS A 40 -10.439 0.928 1.368 1.00 0.00 O ATOM 601 CB LYS A 40 -9.733 3.809 1.653 1.00 0.00 C ATOM 602 CG LYS A 40 -10.904 4.472 0.949 1.00 0.00 C ATOM 603 CD LYS A 40 -10.484 5.209 -0.308 1.00 0.00 C ATOM 604 CE LYS A 40 -11.666 5.931 -0.937 1.00 0.00 C ATOM 605 NZ LYS A 40 -12.810 5.011 -1.196 1.00 0.00 N ATOM 0 H LYS A 40 -9.141 2.682 4.572 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.848 3.425 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.079 4.576 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.145 3.248 0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.645 3.715 0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.386 5.171 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.700 5.927 -0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.061 4.504 -1.024 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.991 6.737 -0.278 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.352 6.392 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.500 5.481 -1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.462 4.146 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.267 4.763 -0.295 1.00 0.00 H new ATOM 619 N LYS A 41 -12.204 1.548 2.597 1.00 0.00 N ATOM 620 CA LYS A 41 -13.048 0.484 2.086 1.00 0.00 C ATOM 621 C LYS A 41 -13.420 0.766 0.635 1.00 0.00 C ATOM 622 O LYS A 41 -14.123 1.733 0.341 1.00 0.00 O ATOM 623 CB LYS A 41 -14.313 0.340 2.938 1.00 0.00 C ATOM 624 CG LYS A 41 -15.298 -0.685 2.396 1.00 0.00 C ATOM 625 CD LYS A 41 -16.533 -0.790 3.275 1.00 0.00 C ATOM 626 CE LYS A 41 -17.572 -1.719 2.675 1.00 0.00 C ATOM 627 NZ LYS A 41 -18.220 -1.126 1.476 1.00 0.00 N ATOM 0 H LYS A 41 -12.653 2.153 3.284 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.493 -0.453 2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.028 0.058 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.809 1.308 3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.593 -0.408 1.384 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.813 -1.659 2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.247 -1.153 4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.967 0.200 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -17.101 -2.663 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.331 -1.946 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -19.034 -1.710 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -18.544 -0.163 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -17.536 -1.090 0.694 1.00 0.00 H new ATOM 641 N ILE A 42 -12.924 -0.059 -0.269 1.00 0.00 N ATOM 642 CA ILE A 42 -13.273 0.063 -1.670 1.00 0.00 C ATOM 643 C ILE A 42 -14.651 -0.555 -1.890 1.00 0.00 C ATOM 644 O ILE A 42 -15.072 -1.417 -1.115 1.00 0.00 O ATOM 645 CB ILE A 42 -12.218 -0.609 -2.576 1.00 0.00 C ATOM 646 CG1 ILE A 42 -10.811 -0.239 -2.096 1.00 0.00 C ATOM 647 CG2 ILE A 42 -12.409 -0.174 -4.024 1.00 0.00 C ATOM 648 CD1 ILE A 42 -9.699 -0.865 -2.909 1.00 0.00 C ATOM 0 H ILE A 42 -12.279 -0.820 -0.057 1.00 0.00 H new ATOM 0 HA ILE A 42 -13.297 1.119 -1.940 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.342 -1.690 -2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.702 0.845 -2.124 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.702 -0.543 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.658 -0.656 -4.651 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -13.404 -0.463 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -12.301 0.908 -4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.735 -0.555 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.780 -1.951 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.780 -0.541 -3.947 1.00 0.00 H new ATOM 660 N LYS A 43 -15.354 -0.108 -2.924 1.00 0.00 N ATOM 661 CA LYS A 43 -16.756 -0.468 -3.115 1.00 0.00 C ATOM 662 C LYS A 43 -16.926 -1.956 -3.423 1.00 0.00 C ATOM 663 O LYS A 43 -16.854 -2.371 -4.582 1.00 0.00 O ATOM 664 CB LYS A 43 -17.373 0.357 -4.248 1.00 0.00 C ATOM 665 CG LYS A 43 -16.960 1.819 -4.255 1.00 0.00 C ATOM 666 CD LYS A 43 -17.782 2.613 -5.256 1.00 0.00 C ATOM 667 CE LYS A 43 -17.083 3.894 -5.679 1.00 0.00 C ATOM 668 NZ LYS A 43 -15.862 3.616 -6.485 1.00 0.00 N ATOM 0 H LYS A 43 -14.976 0.506 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.271 -0.251 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.094 -0.092 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.459 0.299 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.088 2.241 -3.258 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.902 1.900 -4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -17.975 1.998 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.750 2.856 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -17.770 4.509 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.811 4.469 -4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.616 4.458 -7.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.073 3.379 -5.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.043 2.817 -7.125 1.00 0.00 H new ATOM 682 N GLY A 44 -17.139 -2.754 -2.383 1.00 0.00 N ATOM 683 CA GLY A 44 -17.398 -4.167 -2.579 1.00 0.00 C ATOM 684 C GLY A 44 -16.129 -4.990 -2.609 1.00 0.00 C ATOM 685 O GLY A 44 -16.002 -5.918 -3.410 1.00 0.00 O ATOM 0 H GLY A 44 -17.137 -2.448 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.043 -4.529 -1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.940 -4.307 -3.514 1.00 0.00 H new ATOM 689 N TYR A 45 -15.185 -4.655 -1.740 1.00 0.00 N ATOM 690 CA TYR A 45 -13.919 -5.371 -1.676 1.00 0.00 C ATOM 691 C TYR A 45 -13.556 -5.692 -0.229 1.00 0.00 C ATOM 692 O TYR A 45 -13.401 -4.794 0.600 1.00 0.00 O ATOM 693 CB TYR A 45 -12.800 -4.554 -2.332 1.00 0.00 C ATOM 694 CG TYR A 45 -12.969 -4.369 -3.824 1.00 0.00 C ATOM 695 CD1 TYR A 45 -13.693 -3.299 -4.335 1.00 0.00 C ATOM 696 CD2 TYR A 45 -12.401 -5.262 -4.722 1.00 0.00 C ATOM 697 CE1 TYR A 45 -13.847 -3.125 -5.695 1.00 0.00 C ATOM 698 CE2 TYR A 45 -12.550 -5.094 -6.086 1.00 0.00 C ATOM 699 CZ TYR A 45 -13.276 -4.023 -6.566 1.00 0.00 C ATOM 700 OH TYR A 45 -13.428 -3.850 -7.922 1.00 0.00 O ATOM 0 H TYR A 45 -15.272 -3.891 -1.069 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.032 -6.307 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -12.753 -3.574 -1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.846 -5.046 -2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -14.143 -2.591 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.833 -6.102 -4.349 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.414 -2.287 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.101 -5.797 -6.772 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.963 -4.570 -8.398 1.00 0.00 H new ATOM 710 N THR A 46 -13.436 -6.978 0.065 1.00 0.00 N ATOM 711 CA THR A 46 -13.066 -7.442 1.394 1.00 0.00 C ATOM 712 C THR A 46 -11.549 -7.554 1.504 1.00 0.00 C ATOM 713 O THR A 46 -10.924 -8.182 0.659 1.00 0.00 O ATOM 714 CB THR A 46 -13.672 -8.834 1.672 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.026 -8.889 1.211 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.633 -9.163 3.154 1.00 0.00 C ATOM 0 H THR A 46 -13.592 -7.728 -0.609 1.00 0.00 H new ATOM 0 HA THR A 46 -13.447 -6.722 2.118 1.00 0.00 H new ATOM 0 HB THR A 46 -13.073 -9.569 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.457 -9.698 1.558 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.067 -10.149 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.600 -9.158 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.205 -8.418 3.707 1.00 0.00 H new ATOM 724 N LEU A 47 -10.951 -6.943 2.519 1.00 0.00 N ATOM 725 CA LEU A 47 -9.513 -7.080 2.722 1.00 0.00 C ATOM 726 C LEU A 47 -9.152 -8.549 2.889 1.00 0.00 C ATOM 727 O LEU A 47 -9.626 -9.220 3.812 1.00 0.00 O ATOM 728 CB LEU A 47 -9.040 -6.291 3.941 1.00 0.00 C ATOM 729 CG LEU A 47 -7.529 -6.326 4.187 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.780 -5.743 3.000 1.00 0.00 C ATOM 731 CD2 LEU A 47 -7.180 -5.572 5.455 1.00 0.00 C ATOM 0 H LEU A 47 -11.429 -6.357 3.204 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.011 -6.675 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.350 -5.252 3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.546 -6.679 4.825 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.226 -7.366 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.708 -5.777 3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.005 -6.325 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.089 -4.709 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.102 -5.607 5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.499 -4.534 5.361 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.687 -6.032 6.303 1.00 0.00 H new ATOM 743 N LEU A 48 -8.324 -9.043 1.989 1.00 0.00 N ATOM 744 CA LEU A 48 -7.958 -10.444 1.974 1.00 0.00 C ATOM 745 C LEU A 48 -6.960 -10.745 3.083 1.00 0.00 C ATOM 746 O LEU A 48 -7.183 -11.638 3.903 1.00 0.00 O ATOM 747 CB LEU A 48 -7.365 -10.814 0.612 1.00 0.00 C ATOM 748 CG LEU A 48 -7.137 -12.309 0.378 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.461 -13.059 0.390 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.406 -12.538 -0.937 1.00 0.00 C ATOM 0 H LEU A 48 -7.889 -8.488 1.252 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.853 -11.042 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.028 -10.439 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.413 -10.296 0.497 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.517 -12.693 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.279 -14.121 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.948 -12.922 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.106 -12.672 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.253 -13.607 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.001 -12.138 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.440 -12.033 -0.909 1.00 0.00 H new ATOM 762 N LYS A 49 -5.888 -9.960 3.138 1.00 0.00 N ATOM 763 CA LYS A 49 -4.781 -10.247 4.047 1.00 0.00 C ATOM 764 C LYS A 49 -3.670 -9.207 3.905 1.00 0.00 C ATOM 765 O LYS A 49 -3.560 -8.537 2.878 1.00 0.00 O ATOM 766 CB LYS A 49 -4.216 -11.644 3.752 1.00 0.00 C ATOM 767 CG LYS A 49 -3.269 -12.172 4.817 1.00 0.00 C ATOM 768 CD LYS A 49 -2.759 -13.558 4.467 1.00 0.00 C ATOM 769 CE LYS A 49 -1.966 -14.167 5.613 1.00 0.00 C ATOM 770 NZ LYS A 49 -2.782 -14.271 6.854 1.00 0.00 N ATOM 0 H LYS A 49 -5.762 -9.124 2.567 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.160 -10.210 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.045 -12.343 3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.692 -11.617 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.426 -11.490 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.781 -12.203 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.601 -14.205 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.131 -13.502 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.613 -15.157 5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.083 -13.558 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.365 -14.985 7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.799 -13.350 7.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.753 -14.551 6.609 1.00 0.00 H new ATOM 784 N TYR A 50 -2.874 -9.069 4.956 1.00 0.00 N ATOM 785 CA TYR A 50 -1.670 -8.248 4.926 1.00 0.00 C ATOM 786 C TYR A 50 -0.431 -9.131 4.944 1.00 0.00 C ATOM 787 O TYR A 50 -0.439 -10.204 5.553 1.00 0.00 O ATOM 788 CB TYR A 50 -1.621 -7.314 6.134 1.00 0.00 C ATOM 789 CG TYR A 50 -2.225 -5.952 5.900 1.00 0.00 C ATOM 790 CD1 TYR A 50 -1.533 -4.987 5.181 1.00 0.00 C ATOM 791 CD2 TYR A 50 -3.470 -5.624 6.414 1.00 0.00 C ATOM 792 CE1 TYR A 50 -2.067 -3.730 4.981 1.00 0.00 C ATOM 793 CE2 TYR A 50 -4.014 -4.371 6.214 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.309 -3.427 5.499 1.00 0.00 C ATOM 795 OH TYR A 50 -3.845 -2.176 5.302 1.00 0.00 O ATOM 0 H TYR A 50 -3.044 -9.523 5.854 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.693 -7.656 4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.141 -7.789 6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.582 -7.189 6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.562 -5.223 4.772 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.023 -6.360 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -1.516 -2.988 4.422 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.987 -4.132 6.616 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.143 -1.563 4.999 1.00 0.00 H new ATOM 805 N ASP A 51 0.629 -8.688 4.280 1.00 0.00 N ATOM 806 CA ASP A 51 1.907 -9.387 4.357 1.00 0.00 C ATOM 807 C ASP A 51 2.547 -9.139 5.709 1.00 0.00 C ATOM 808 O ASP A 51 2.779 -10.065 6.485 1.00 0.00 O ATOM 809 CB ASP A 51 2.876 -8.938 3.260 1.00 0.00 C ATOM 810 CG ASP A 51 2.476 -9.405 1.880 1.00 0.00 C ATOM 811 OD1 ASP A 51 2.426 -10.634 1.654 1.00 0.00 O ATOM 812 OD2 ASP A 51 2.251 -8.547 1.007 1.00 0.00 O ATOM 0 H ASP A 51 0.631 -7.857 3.688 1.00 0.00 H new ATOM 0 HA ASP A 51 1.704 -10.449 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.939 -7.850 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.873 -9.315 3.489 1.00 0.00 H new ATOM 817 N SER A 52 2.833 -7.875 5.971 1.00 0.00 N ATOM 818 CA SER A 52 3.395 -7.454 7.240 1.00 0.00 C ATOM 819 C SER A 52 2.319 -6.726 8.042 1.00 0.00 C ATOM 820 O SER A 52 1.128 -6.870 7.761 1.00 0.00 O ATOM 821 CB SER A 52 4.601 -6.539 6.992 1.00 0.00 C ATOM 822 OG SER A 52 5.323 -6.292 8.187 1.00 0.00 O ATOM 0 H SER A 52 2.682 -7.113 5.310 1.00 0.00 H new ATOM 0 HA SER A 52 3.734 -8.321 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.261 -6.998 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.260 -5.594 6.570 1.00 0.00 H new ATOM 0 HG SER A 52 6.085 -5.708 7.994 1.00 0.00 H new ATOM 828 N GLU A 53 2.729 -5.964 9.045 1.00 0.00 N ATOM 829 CA GLU A 53 1.789 -5.161 9.807 1.00 0.00 C ATOM 830 C GLU A 53 1.406 -3.909 9.029 1.00 0.00 C ATOM 831 O GLU A 53 1.840 -3.711 7.893 1.00 0.00 O ATOM 832 CB GLU A 53 2.356 -4.771 11.173 1.00 0.00 C ATOM 833 CG GLU A 53 2.399 -5.917 12.168 1.00 0.00 C ATOM 834 CD GLU A 53 2.459 -5.428 13.600 1.00 0.00 C ATOM 835 OE1 GLU A 53 1.393 -5.076 14.151 1.00 0.00 O ATOM 836 OE2 GLU A 53 3.564 -5.399 14.183 1.00 0.00 O ATOM 0 H GLU A 53 3.700 -5.886 9.348 1.00 0.00 H new ATOM 0 HA GLU A 53 0.900 -5.769 9.972 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.365 -4.380 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.754 -3.963 11.589 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.517 -6.544 12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.268 -6.542 11.962 1.00 0.00 H new ATOM 843 N ILE A 54 0.603 -3.064 9.652 1.00 0.00 N ATOM 844 CA ILE A 54 0.085 -1.880 8.993 1.00 0.00 C ATOM 845 C ILE A 54 0.979 -0.681 9.270 1.00 0.00 C ATOM 846 O ILE A 54 1.549 -0.090 8.355 1.00 0.00 O ATOM 847 CB ILE A 54 -1.340 -1.559 9.480 1.00 0.00 C ATOM 848 CG1 ILE A 54 -2.203 -2.819 9.454 1.00 0.00 C ATOM 849 CG2 ILE A 54 -1.965 -0.469 8.619 1.00 0.00 C ATOM 850 CD1 ILE A 54 -3.551 -2.637 10.110 1.00 0.00 C ATOM 0 H ILE A 54 0.295 -3.178 10.618 1.00 0.00 H new ATOM 0 HA ILE A 54 0.063 -2.083 7.922 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.283 -1.196 10.506 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.350 -3.128 8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.669 -3.626 9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.972 -0.255 8.977 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.359 0.435 8.679 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.012 -0.806 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.111 -3.570 10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.413 -2.357 11.154 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.104 -1.852 9.594 1.00 0.00 H new ATOM 862 N LEU A 55 1.110 -0.341 10.543 1.00 0.00 N ATOM 863 CA LEU A 55 1.860 0.839 10.940 1.00 0.00 C ATOM 864 C LEU A 55 3.345 0.524 11.058 1.00 0.00 C ATOM 865 O LEU A 55 3.732 -0.591 11.413 1.00 0.00 O ATOM 866 CB LEU A 55 1.332 1.385 12.268 1.00 0.00 C ATOM 867 CG LEU A 55 -0.132 1.832 12.250 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.555 2.318 13.626 1.00 0.00 C ATOM 869 CD2 LEU A 55 -0.346 2.921 11.208 1.00 0.00 C ATOM 0 H LEU A 55 0.706 -0.866 11.319 1.00 0.00 H new ATOM 0 HA LEU A 55 1.729 1.598 10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.452 0.617 13.032 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.951 2.231 12.567 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.751 0.976 11.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.598 2.632 13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.440 1.510 14.349 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.069 3.161 13.922 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.392 3.226 11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.283 3.780 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.081 2.538 10.222 1.00 0.00 H new ATOM 881 N GLY A 56 4.172 1.513 10.757 1.00 0.00 N ATOM 882 CA GLY A 56 5.604 1.339 10.839 1.00 0.00 C ATOM 883 C GLY A 56 6.331 2.648 10.644 1.00 0.00 C ATOM 884 O GLY A 56 5.714 3.716 10.689 1.00 0.00 O ATOM 0 H GLY A 56 3.872 2.440 10.455 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.866 0.917 11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.929 0.625 10.083 1.00 0.00 H new ATOM 888 N VAL A 57 7.632 2.571 10.419 1.00 0.00 N ATOM 889 CA VAL A 57 8.445 3.756 10.204 1.00 0.00 C ATOM 890 C VAL A 57 9.139 3.685 8.849 1.00 0.00 C ATOM 891 O VAL A 57 9.429 2.595 8.355 1.00 0.00 O ATOM 892 CB VAL A 57 9.503 3.939 11.316 1.00 0.00 C ATOM 893 CG1 VAL A 57 8.833 4.213 12.657 1.00 0.00 C ATOM 894 CG2 VAL A 57 10.412 2.722 11.412 1.00 0.00 C ATOM 0 H VAL A 57 8.151 1.694 10.380 1.00 0.00 H new ATOM 0 HA VAL A 57 7.775 4.615 10.229 1.00 0.00 H new ATOM 0 HB VAL A 57 10.118 4.800 11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.595 4.339 13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.236 5.122 12.586 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.188 3.375 12.919 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.147 2.878 12.202 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.815 1.839 11.641 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.926 2.576 10.462 1.00 0.00 H new ATOM 904 N PHE A 58 9.374 4.845 8.247 1.00 0.00 N ATOM 905 CA PHE A 58 10.048 4.918 6.954 1.00 0.00 C ATOM 906 C PHE A 58 11.462 4.355 7.047 1.00 0.00 C ATOM 907 O PHE A 58 12.299 4.870 7.795 1.00 0.00 O ATOM 908 CB PHE A 58 10.110 6.362 6.447 1.00 0.00 C ATOM 909 CG PHE A 58 8.781 6.948 6.064 1.00 0.00 C ATOM 910 CD1 PHE A 58 8.285 6.789 4.783 1.00 0.00 C ATOM 911 CD2 PHE A 58 8.034 7.669 6.980 1.00 0.00 C ATOM 912 CE1 PHE A 58 7.070 7.337 4.421 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.817 8.216 6.626 1.00 0.00 C ATOM 914 CZ PHE A 58 6.334 8.050 5.343 1.00 0.00 C ATOM 0 H PHE A 58 9.107 5.750 8.634 1.00 0.00 H new ATOM 0 HA PHE A 58 9.469 4.320 6.250 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.558 6.986 7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.772 6.401 5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.855 6.229 4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.408 7.805 7.984 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.697 7.207 3.416 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.243 8.773 7.352 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.383 8.477 5.063 1.00 0.00 H new ATOM 924 N THR A 59 11.716 3.298 6.295 1.00 0.00 N ATOM 925 CA THR A 59 13.032 2.683 6.250 1.00 0.00 C ATOM 926 C THR A 59 13.884 3.326 5.161 1.00 0.00 C ATOM 927 O THR A 59 13.380 4.106 4.352 1.00 0.00 O ATOM 928 CB THR A 59 12.920 1.167 5.989 1.00 0.00 C ATOM 929 OG1 THR A 59 12.082 0.922 4.850 1.00 0.00 O ATOM 930 CG2 THR A 59 12.354 0.449 7.204 1.00 0.00 C ATOM 0 H THR A 59 11.021 2.844 5.702 1.00 0.00 H new ATOM 0 HA THR A 59 13.508 2.840 7.218 1.00 0.00 H new ATOM 0 HB THR A 59 13.920 0.782 5.791 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.156 0.799 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.284 -0.619 6.996 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.010 0.610 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.362 0.840 7.428 1.00 0.00 H new ATOM 938 N GLU A 60 15.169 2.991 5.129 1.00 0.00 N ATOM 939 CA GLU A 60 16.080 3.528 4.119 1.00 0.00 C ATOM 940 C GLU A 60 15.942 2.777 2.796 1.00 0.00 C ATOM 941 O GLU A 60 16.930 2.520 2.106 1.00 0.00 O ATOM 942 CB GLU A 60 17.525 3.450 4.611 1.00 0.00 C ATOM 943 CG GLU A 60 17.844 4.438 5.719 1.00 0.00 C ATOM 944 CD GLU A 60 19.290 4.368 6.155 1.00 0.00 C ATOM 945 OE1 GLU A 60 20.176 4.755 5.366 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.554 3.919 7.291 1.00 0.00 O ATOM 0 H GLU A 60 15.606 2.349 5.791 1.00 0.00 H new ATOM 0 HA GLU A 60 15.814 4.572 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.724 2.440 4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.196 3.630 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.619 5.448 5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.199 4.240 6.575 1.00 0.00 H new ATOM 953 N SER A 61 14.712 2.457 2.432 1.00 0.00 N ATOM 954 CA SER A 61 14.431 1.714 1.216 1.00 0.00 C ATOM 955 C SER A 61 12.990 1.961 0.789 1.00 0.00 C ATOM 956 O SER A 61 12.145 2.257 1.632 1.00 0.00 O ATOM 957 CB SER A 61 14.664 0.218 1.458 1.00 0.00 C ATOM 958 OG SER A 61 13.959 -0.231 2.610 1.00 0.00 O ATOM 0 H SER A 61 13.882 2.704 2.970 1.00 0.00 H new ATOM 0 HA SER A 61 15.098 2.049 0.422 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.340 -0.349 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.730 0.029 1.584 1.00 0.00 H new ATOM 0 HG SER A 61 14.123 -1.188 2.741 1.00 0.00 H new ATOM 964 N PRO A 62 12.691 1.871 -0.519 1.00 0.00 N ATOM 965 CA PRO A 62 11.315 1.967 -0.997 1.00 0.00 C ATOM 966 C PRO A 62 10.492 0.805 -0.464 1.00 0.00 C ATOM 967 O PRO A 62 10.608 -0.328 -0.935 1.00 0.00 O ATOM 968 CB PRO A 62 11.443 1.889 -2.526 1.00 0.00 C ATOM 969 CG PRO A 62 12.882 2.156 -2.816 1.00 0.00 C ATOM 970 CD PRO A 62 13.648 1.684 -1.614 1.00 0.00 C ATOM 0 HA PRO A 62 10.814 2.878 -0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.143 0.909 -2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.801 2.624 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.202 1.627 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.052 3.218 -2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.951 0.641 -1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.556 2.266 -1.460 1.00 0.00 H new ATOM 978 N GLN A 63 9.660 1.096 0.516 1.00 0.00 N ATOM 979 CA GLN A 63 8.936 0.064 1.232 1.00 0.00 C ATOM 980 C GLN A 63 7.575 -0.151 0.597 1.00 0.00 C ATOM 981 O GLN A 63 6.908 0.804 0.212 1.00 0.00 O ATOM 982 CB GLN A 63 8.804 0.469 2.699 1.00 0.00 C ATOM 983 CG GLN A 63 8.255 -0.619 3.601 1.00 0.00 C ATOM 984 CD GLN A 63 8.321 -0.225 5.061 1.00 0.00 C ATOM 985 OE1 GLN A 63 9.212 0.517 5.475 1.00 0.00 O ATOM 986 NE2 GLN A 63 7.381 -0.715 5.847 1.00 0.00 N ATOM 0 H GLN A 63 9.468 2.045 0.836 1.00 0.00 H new ATOM 0 HA GLN A 63 9.482 -0.878 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.783 0.772 3.069 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.154 1.342 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.221 -0.830 3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.820 -1.538 3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.661 -1.326 5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.374 -0.482 6.840 1.00 0.00 H new ATOM 995 N THR A 64 7.170 -1.400 0.473 1.00 0.00 N ATOM 996 CA THR A 64 5.928 -1.725 -0.204 1.00 0.00 C ATOM 997 C THR A 64 4.904 -2.310 0.765 1.00 0.00 C ATOM 998 O THR A 64 5.201 -3.249 1.506 1.00 0.00 O ATOM 999 CB THR A 64 6.187 -2.720 -1.349 1.00 0.00 C ATOM 1000 OG1 THR A 64 7.271 -2.243 -2.158 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.951 -2.894 -2.214 1.00 0.00 C ATOM 0 H THR A 64 7.682 -2.206 0.832 1.00 0.00 H new ATOM 0 HA THR A 64 5.523 -0.800 -0.614 1.00 0.00 H new ATOM 0 HB THR A 64 6.440 -3.687 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.439 -2.876 -2.887 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.164 -3.602 -3.015 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.130 -3.272 -1.604 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.670 -1.933 -2.645 1.00 0.00 H new ATOM 1009 N ILE A 65 3.709 -1.734 0.770 1.00 0.00 N ATOM 1010 CA ILE A 65 2.611 -2.254 1.567 1.00 0.00 C ATOM 1011 C ILE A 65 1.544 -2.830 0.650 1.00 0.00 C ATOM 1012 O ILE A 65 0.852 -2.089 -0.053 1.00 0.00 O ATOM 1013 CB ILE A 65 1.978 -1.170 2.467 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.024 -0.597 3.422 1.00 0.00 C ATOM 1015 CG2 ILE A 65 0.804 -1.747 3.249 1.00 0.00 C ATOM 1016 CD1 ILE A 65 2.498 0.508 4.311 1.00 0.00 C ATOM 0 H ILE A 65 3.477 -0.902 0.227 1.00 0.00 H new ATOM 0 HA ILE A 65 3.017 -3.030 2.216 1.00 0.00 H new ATOM 0 HB ILE A 65 1.608 -0.365 1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.410 -1.401 4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.863 -0.215 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.369 -0.970 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.050 -2.115 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.152 -2.568 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 65 3.298 0.864 4.961 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.138 1.331 3.694 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.679 0.126 4.920 1.00 0.00 H new ATOM 1028 N ASN A 66 1.433 -4.145 0.641 1.00 0.00 N ATOM 1029 CA ASN A 66 0.466 -4.821 -0.207 1.00 0.00 C ATOM 1030 C ASN A 66 -0.861 -4.960 0.516 1.00 0.00 C ATOM 1031 O ASN A 66 -1.023 -5.818 1.386 1.00 0.00 O ATOM 1032 CB ASN A 66 0.964 -6.209 -0.612 1.00 0.00 C ATOM 1033 CG ASN A 66 2.249 -6.177 -1.417 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.500 -5.253 -2.193 1.00 0.00 O ATOM 1035 ND2 ASN A 66 3.078 -7.189 -1.221 1.00 0.00 N ATOM 0 H ASN A 66 2.002 -4.769 1.213 1.00 0.00 H new ATOM 0 HA ASN A 66 0.334 -4.218 -1.105 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.121 -6.807 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.191 -6.708 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.966 -7.225 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.830 -7.933 -0.569 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.800 -4.099 0.174 1.00 0.00 N ATOM 1043 CA ILE A 67 -3.136 -4.179 0.729 1.00 0.00 C ATOM 1044 C ILE A 67 -4.041 -4.881 -0.268 1.00 0.00 C ATOM 1045 O ILE A 67 -4.570 -4.258 -1.187 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.695 -2.779 1.069 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.694 -2.019 1.944 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -5.038 -2.897 1.776 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -3.148 -0.633 2.343 1.00 0.00 C ATOM 0 H ILE A 67 -1.661 -3.335 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.096 -4.745 1.659 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.846 -2.226 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.502 -2.600 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.748 -1.939 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.416 -1.901 2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.746 -3.412 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.914 -3.462 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.383 -0.163 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.311 -0.032 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.078 -0.703 2.908 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.183 -6.188 -0.109 1.00 0.00 N ATOM 1062 CA ILE A 68 -4.886 -7.000 -1.089 1.00 0.00 C ATOM 1063 C ILE A 68 -6.348 -7.162 -0.718 1.00 0.00 C ATOM 1064 O ILE A 68 -6.678 -7.665 0.356 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.239 -8.394 -1.245 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -2.746 -8.246 -1.550 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -4.938 -9.188 -2.346 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.008 -9.563 -1.656 1.00 0.00 C ATOM 0 H ILE A 68 -3.821 -6.709 0.690 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.814 -6.475 -2.041 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.352 -8.941 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.629 -7.699 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.283 -7.644 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.469 -10.167 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.991 -9.313 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.854 -8.651 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.957 -9.374 -1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.092 -10.104 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.443 -10.160 -2.457 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.212 -6.717 -1.606 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.639 -6.856 -1.427 1.00 0.00 C ATOM 1082 C TYR A 69 -9.175 -8.030 -2.235 1.00 0.00 C ATOM 1083 O TYR A 69 -8.519 -8.528 -3.149 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.355 -5.569 -1.836 1.00 0.00 C ATOM 1085 CG TYR A 69 -9.224 -4.452 -0.825 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -10.132 -4.338 0.216 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.199 -3.518 -0.909 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -10.027 -3.328 1.147 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.085 -2.500 0.024 1.00 0.00 C ATOM 1090 CZ TYR A 69 -9.004 -2.411 1.051 1.00 0.00 C ATOM 1091 OH TYR A 69 -8.901 -1.408 1.990 1.00 0.00 O ATOM 0 H TYR A 69 -6.943 -6.249 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.830 -7.047 -0.371 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.956 -5.230 -2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.412 -5.785 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.936 -5.054 0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.481 -3.586 -1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.745 -3.255 1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.283 -1.781 -0.051 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.449 -0.644 1.714 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.355 -8.474 -1.859 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.062 -9.526 -2.556 1.00 0.00 C ATOM 1103 C GLN A 70 -12.458 -9.039 -2.901 1.00 0.00 C ATOM 1104 O GLN A 70 -13.276 -8.802 -2.010 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.123 -10.786 -1.681 1.00 0.00 C ATOM 1106 CG GLN A 70 -11.973 -11.922 -2.243 1.00 0.00 C ATOM 1107 CD GLN A 70 -11.491 -12.431 -3.589 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -10.624 -13.302 -3.663 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -12.088 -11.929 -4.657 1.00 0.00 N ATOM 0 H GLN A 70 -10.857 -8.109 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.537 -9.780 -3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.108 -11.153 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.513 -10.511 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.977 -12.748 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.003 -11.580 -2.341 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.802 -11.208 -4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.835 -12.263 -5.587 1.00 0.00 H new ATOM 1118 N LYS A 71 -12.699 -8.834 -4.189 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.012 -8.433 -4.680 1.00 0.00 C ATOM 1120 C LYS A 71 -15.106 -9.343 -4.119 1.00 0.00 C ATOM 1121 O LYS A 71 -14.929 -10.561 -4.053 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.026 -8.465 -6.214 1.00 0.00 C ATOM 1123 CG LYS A 71 -13.551 -9.789 -6.798 1.00 0.00 C ATOM 1124 CD LYS A 71 -13.558 -9.783 -8.319 1.00 0.00 C ATOM 1125 CE LYS A 71 -12.511 -8.845 -8.893 1.00 0.00 C ATOM 1126 NZ LYS A 71 -11.134 -9.235 -8.499 1.00 0.00 N ATOM 0 H LYS A 71 -11.995 -8.940 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.213 -7.416 -4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.038 -8.265 -6.565 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.393 -7.662 -6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.543 -10.000 -6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.191 -10.594 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.378 -10.794 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.544 -9.486 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.588 -8.839 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.710 -7.829 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.461 -8.513 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.079 -9.315 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.896 -10.151 -8.930 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.221 -8.742 -3.694 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.342 -9.492 -3.119 1.00 0.00 C ATOM 1142 C LYS A 72 -17.810 -10.595 -4.066 1.00 0.00 C ATOM 1143 O LYS A 72 -18.138 -11.698 -3.632 1.00 0.00 O ATOM 1144 CB LYS A 72 -18.518 -8.562 -2.799 1.00 0.00 C ATOM 1145 CG LYS A 72 -18.238 -7.562 -1.687 1.00 0.00 C ATOM 1146 CD LYS A 72 -17.920 -8.250 -0.368 1.00 0.00 C ATOM 1147 CE LYS A 72 -17.749 -7.243 0.759 1.00 0.00 C ATOM 1148 NZ LYS A 72 -17.360 -7.896 2.037 1.00 0.00 N ATOM 0 H LYS A 72 -16.372 -7.734 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.987 -9.947 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -18.792 -8.017 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -19.380 -9.168 -2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -17.401 -6.925 -1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -19.104 -6.912 -1.557 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -18.721 -8.946 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.008 -8.838 -0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.990 -6.512 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.681 -6.696 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.500 -7.230 2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -17.949 -8.740 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.359 -8.175 1.994 1.00 0.00 H new