USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 850 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 36 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 39 CYS SG : rot 140:sc= -0.593 USER MOD Set 2.1: A 22 ASN :FLIP amide:sc= -2.54 F(o=-4.5!,f=-2.8) USER MOD Set 2.2: A 23 ASN :FLIP amide:sc= -0.249 X(o=-2.9,f=-2.8) USER MOD Set 3.1: A 13 THR OG1 : rot -64:sc= 0.349 USER MOD Set 3.2: A 16 ASN : amide:sc= -0.124 K(o=0.23,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 90:sc= -0.232 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 88:sc= 0.616 USER MOD Single : A 38 HIS :FLIP no HD1:sc= 0.0407 F(o=-0.98,f=0.041) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0599) USER MOD Single : A 46 TYR OH : rot 129:sc= 0.0403 USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0206) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 87:sc= 1.14 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.35 K(o=-1.3,f=-9.8!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.182) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -26:sc= -0.523 USER MOD Single : A 86 LYS NZ :NH3+ -135:sc= 0.315 (180deg=-0.59) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot -164:sc= 0.0579 USER MOD Single : A 97 ASN : amide:sc=-0.00628 K(o=-0.0063,f=-0.8) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= 0.0687 (180deg=0.0537) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -177:sc= -1.98 (180deg=-2.09) USER MOD Single : A 112 GLN :FLIP amide:sc= -0.24 F(o=-0.89,f=-0.24) USER MOD Single : A 113 SER OG : rot -38:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -0.159 -3.148 -11.684 1.00 0.00 N ATOM 67 CA VAL A 8 0.186 -4.173 -10.707 1.00 0.00 C ATOM 68 C VAL A 8 -0.553 -3.951 -9.392 1.00 0.00 C ATOM 69 O VAL A 8 -1.012 -4.901 -8.757 1.00 0.00 O ATOM 70 CB VAL A 8 1.702 -4.199 -10.433 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.434 -4.929 -11.548 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.237 -2.785 -10.269 1.00 0.00 C ATOM 0 HA VAL A 8 -0.116 -5.130 -11.133 1.00 0.00 H new ATOM 0 HB VAL A 8 1.877 -4.739 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.503 -4.937 -11.337 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.069 -5.954 -11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.255 -4.420 -12.495 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.309 -2.822 -10.076 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.052 -2.218 -11.181 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.734 -2.301 -9.432 1.00 0.00 H new ATOM 82 N THR A 9 -0.667 -2.690 -8.989 1.00 0.00 N ATOM 83 CA THR A 9 -1.350 -2.342 -7.750 1.00 0.00 C ATOM 84 C THR A 9 -2.862 -2.468 -7.901 1.00 0.00 C ATOM 85 O THR A 9 -3.426 -2.093 -8.930 1.00 0.00 O ATOM 86 CB THR A 9 -1.008 -0.908 -7.302 1.00 0.00 C ATOM 87 OG1 THR A 9 0.305 -0.555 -7.751 1.00 0.00 O ATOM 88 CG2 THR A 9 -1.083 -0.781 -5.788 1.00 0.00 C ATOM 0 H THR A 9 -0.295 -1.892 -9.503 1.00 0.00 H new ATOM 0 HA THR A 9 -1.003 -3.044 -6.991 1.00 0.00 H new ATOM 0 HB THR A 9 -1.738 -0.229 -7.744 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.248 -0.145 -8.639 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.838 0.240 -5.496 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.092 -1.022 -5.452 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.374 -1.470 -5.329 1.00 0.00 H new ATOM 96 N LEU A 10 -3.513 -2.996 -6.871 1.00 0.00 N ATOM 97 CA LEU A 10 -4.961 -3.171 -6.890 1.00 0.00 C ATOM 98 C LEU A 10 -5.650 -2.095 -6.057 1.00 0.00 C ATOM 99 O LEU A 10 -5.266 -1.838 -4.916 1.00 0.00 O ATOM 100 CB LEU A 10 -5.335 -4.557 -6.362 1.00 0.00 C ATOM 101 CG LEU A 10 -4.530 -5.729 -6.925 1.00 0.00 C ATOM 102 CD1 LEU A 10 -4.419 -6.844 -5.897 1.00 0.00 C ATOM 103 CD2 LEU A 10 -5.166 -6.245 -8.208 1.00 0.00 C ATOM 0 H LEU A 10 -3.061 -3.310 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.299 -3.079 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.223 -4.553 -5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.390 -4.732 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.525 -5.376 -7.157 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.843 -7.669 -6.316 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.918 -6.468 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.416 -7.195 -5.632 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.580 -7.079 -8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.182 -6.581 -8.001 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.192 -5.445 -8.948 1.00 0.00 H new ATOM 115 N SER A 11 -6.671 -1.470 -6.635 1.00 0.00 N ATOM 116 CA SER A 11 -7.413 -0.420 -5.946 1.00 0.00 C ATOM 117 C SER A 11 -8.557 -1.011 -5.127 1.00 0.00 C ATOM 118 O SER A 11 -9.499 -1.583 -5.678 1.00 0.00 O ATOM 119 CB SER A 11 -7.962 0.591 -6.954 1.00 0.00 C ATOM 120 OG SER A 11 -8.541 1.705 -6.297 1.00 0.00 O ATOM 0 H SER A 11 -7.003 -1.672 -7.578 1.00 0.00 H new ATOM 0 HA SER A 11 -6.728 0.089 -5.267 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.159 0.929 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.708 0.110 -7.586 1.00 0.00 H new ATOM 0 HG SER A 11 -8.883 2.337 -6.964 1.00 0.00 H new ATOM 126 N LEU A 12 -8.469 -0.868 -3.810 1.00 0.00 N ATOM 127 CA LEU A 12 -9.496 -1.387 -2.913 1.00 0.00 C ATOM 128 C LEU A 12 -10.282 -0.249 -2.269 1.00 0.00 C ATOM 129 O LEU A 12 -9.710 0.761 -1.858 1.00 0.00 O ATOM 130 CB LEU A 12 -8.861 -2.260 -1.829 1.00 0.00 C ATOM 131 CG LEU A 12 -7.858 -3.308 -2.314 1.00 0.00 C ATOM 132 CD1 LEU A 12 -6.883 -3.668 -1.203 1.00 0.00 C ATOM 133 CD2 LEU A 12 -8.583 -4.549 -2.813 1.00 0.00 C ATOM 0 H LEU A 12 -7.697 -0.397 -3.339 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.185 -1.993 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.358 -1.609 -1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.658 -2.771 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.291 -2.885 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.177 -4.415 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.340 -2.776 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.433 -4.072 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.854 -5.284 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.175 -4.975 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.240 -4.279 -3.640 1.00 0.00 H new ATOM 145 N THR A 13 -11.597 -0.420 -2.183 1.00 0.00 N ATOM 146 CA THR A 13 -12.462 0.591 -1.589 1.00 0.00 C ATOM 147 C THR A 13 -13.198 0.039 -0.373 1.00 0.00 C ATOM 148 O THR A 13 -13.083 -1.143 -0.048 1.00 0.00 O ATOM 149 CB THR A 13 -13.495 1.115 -2.605 1.00 0.00 C ATOM 150 OG1 THR A 13 -14.322 0.039 -3.062 1.00 0.00 O ATOM 151 CG2 THR A 13 -12.803 1.768 -3.791 1.00 0.00 C ATOM 0 H THR A 13 -12.087 -1.250 -2.518 1.00 0.00 H new ATOM 0 HA THR A 13 -11.818 1.414 -1.279 1.00 0.00 H new ATOM 0 HB THR A 13 -14.114 1.862 -2.109 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.775 -0.608 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.552 2.130 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.197 2.605 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.163 1.038 -4.286 1.00 0.00 H new ATOM 159 N LYS A 14 -13.955 0.902 0.297 1.00 0.00 N ATOM 160 CA LYS A 14 -14.712 0.501 1.477 1.00 0.00 C ATOM 161 C LYS A 14 -15.952 -0.295 1.083 1.00 0.00 C ATOM 162 O LYS A 14 -16.951 -0.301 1.803 1.00 0.00 O ATOM 163 CB LYS A 14 -15.119 1.733 2.289 1.00 0.00 C ATOM 164 CG LYS A 14 -16.252 2.527 1.662 1.00 0.00 C ATOM 165 CD LYS A 14 -16.635 3.723 2.518 1.00 0.00 C ATOM 166 CE LYS A 14 -17.382 4.771 1.709 1.00 0.00 C ATOM 167 NZ LYS A 14 -18.842 4.483 1.641 1.00 0.00 N ATOM 0 H LYS A 14 -14.060 1.884 0.043 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.074 -0.136 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.418 1.417 3.288 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.252 2.383 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.953 2.868 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.120 1.881 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.257 3.392 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.737 4.166 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.226 5.753 2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.972 4.811 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.316 5.220 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.993 3.557 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.238 4.470 2.602 1.00 0.00 H new ATOM 181 N ASP A 15 -15.881 -0.964 -0.062 1.00 0.00 N ATOM 182 CA ASP A 15 -16.998 -1.766 -0.550 1.00 0.00 C ATOM 183 C ASP A 15 -16.524 -3.147 -0.991 1.00 0.00 C ATOM 184 O ASP A 15 -17.296 -4.104 -1.004 1.00 0.00 O ATOM 185 CB ASP A 15 -17.693 -1.056 -1.713 1.00 0.00 C ATOM 186 CG ASP A 15 -19.035 -1.675 -2.050 1.00 0.00 C ATOM 187 OD1 ASP A 15 -19.866 -1.826 -1.130 1.00 0.00 O ATOM 188 OD2 ASP A 15 -19.255 -2.008 -3.233 1.00 0.00 O ATOM 0 H ASP A 15 -15.062 -0.967 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 15 -17.709 -1.890 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.834 -0.005 -1.461 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -17.050 -1.090 -2.592 1.00 0.00 H new ATOM 193 N ASN A 16 -15.248 -3.242 -1.352 1.00 0.00 N ATOM 194 CA ASN A 16 -14.671 -4.506 -1.795 1.00 0.00 C ATOM 195 C ASN A 16 -13.323 -4.753 -1.126 1.00 0.00 C ATOM 196 O ASN A 16 -12.513 -5.544 -1.609 1.00 0.00 O ATOM 197 CB ASN A 16 -14.506 -4.509 -3.316 1.00 0.00 C ATOM 198 CG ASN A 16 -13.912 -3.214 -3.836 1.00 0.00 C ATOM 199 OD1 ASN A 16 -14.636 -2.301 -4.233 1.00 0.00 O ATOM 200 ND2 ASN A 16 -12.587 -3.130 -3.837 1.00 0.00 N ATOM 0 H ASN A 16 -14.594 -2.459 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 16 -15.351 -5.308 -1.508 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.866 -5.342 -3.608 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -15.477 -4.674 -3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.130 -2.284 -4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.026 -3.912 -3.499 1.00 0.00 H new ATOM 207 N PHE A 17 -13.089 -4.070 -0.010 1.00 0.00 N ATOM 208 CA PHE A 17 -11.838 -4.215 0.727 1.00 0.00 C ATOM 209 C PHE A 17 -11.784 -5.559 1.447 1.00 0.00 C ATOM 210 O PHE A 17 -10.840 -6.330 1.274 1.00 0.00 O ATOM 211 CB PHE A 17 -11.682 -3.076 1.736 1.00 0.00 C ATOM 212 CG PHE A 17 -10.404 -3.143 2.523 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.322 -3.913 3.672 1.00 0.00 C ATOM 214 CD2 PHE A 17 -9.285 -2.437 2.113 1.00 0.00 C ATOM 215 CE1 PHE A 17 -9.147 -3.976 4.398 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.107 -2.497 2.835 1.00 0.00 C ATOM 217 CZ PHE A 17 -8.038 -3.268 3.978 1.00 0.00 C ATOM 0 H PHE A 17 -13.748 -3.411 0.404 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.016 -4.173 0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.724 -2.124 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -12.526 -3.094 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.185 -4.470 4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.333 -1.833 1.219 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.096 -4.578 5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.242 -1.941 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.119 -3.317 4.543 1.00 0.00 H new ATOM 227 N ASP A 18 -12.802 -5.832 2.255 1.00 0.00 N ATOM 228 CA ASP A 18 -12.871 -7.083 3.002 1.00 0.00 C ATOM 229 C ASP A 18 -13.343 -8.224 2.107 1.00 0.00 C ATOM 230 O ASP A 18 -13.335 -9.387 2.512 1.00 0.00 O ATOM 231 CB ASP A 18 -13.811 -6.935 4.200 1.00 0.00 C ATOM 232 CG ASP A 18 -15.272 -7.022 3.803 1.00 0.00 C ATOM 233 OD1 ASP A 18 -15.670 -8.056 3.228 1.00 0.00 O ATOM 234 OD2 ASP A 18 -16.017 -6.055 4.067 1.00 0.00 O ATOM 0 H ASP A 18 -13.591 -5.204 2.410 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.870 -7.318 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.589 -7.713 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.626 -5.978 4.687 1.00 0.00 H new ATOM 239 N ASP A 19 -13.755 -7.884 0.891 1.00 0.00 N ATOM 240 CA ASP A 19 -14.230 -8.881 -0.062 1.00 0.00 C ATOM 241 C ASP A 19 -13.115 -9.296 -1.016 1.00 0.00 C ATOM 242 O ASP A 19 -13.146 -10.387 -1.587 1.00 0.00 O ATOM 243 CB ASP A 19 -15.418 -8.334 -0.854 1.00 0.00 C ATOM 244 CG ASP A 19 -15.625 -9.064 -2.167 1.00 0.00 C ATOM 245 OD1 ASP A 19 -15.962 -10.266 -2.129 1.00 0.00 O ATOM 246 OD2 ASP A 19 -15.450 -8.435 -3.231 1.00 0.00 O ATOM 0 H ASP A 19 -13.770 -6.926 0.542 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.550 -9.760 0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.322 -8.415 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.261 -7.274 -1.052 1.00 0.00 H new ATOM 251 N VAL A 20 -12.130 -8.420 -1.185 1.00 0.00 N ATOM 252 CA VAL A 20 -11.005 -8.695 -2.070 1.00 0.00 C ATOM 253 C VAL A 20 -9.807 -9.223 -1.288 1.00 0.00 C ATOM 254 O VAL A 20 -9.185 -10.212 -1.676 1.00 0.00 O ATOM 255 CB VAL A 20 -10.581 -7.435 -2.848 1.00 0.00 C ATOM 256 CG1 VAL A 20 -9.284 -7.685 -3.603 1.00 0.00 C ATOM 257 CG2 VAL A 20 -11.685 -6.999 -3.798 1.00 0.00 C ATOM 0 H VAL A 20 -12.089 -7.513 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.337 -9.455 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.408 -6.629 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.000 -6.784 -4.147 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.496 -7.946 -2.896 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.425 -8.505 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -11.368 -6.108 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.892 -7.800 -4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.588 -6.776 -3.229 1.00 0.00 H new ATOM 267 N VAL A 21 -9.489 -8.557 -0.182 1.00 0.00 N ATOM 268 CA VAL A 21 -8.367 -8.960 0.657 1.00 0.00 C ATOM 269 C VAL A 21 -8.573 -10.364 1.214 1.00 0.00 C ATOM 270 O VAL A 21 -7.649 -11.176 1.237 1.00 0.00 O ATOM 271 CB VAL A 21 -8.161 -7.980 1.827 1.00 0.00 C ATOM 272 CG1 VAL A 21 -7.149 -8.536 2.817 1.00 0.00 C ATOM 273 CG2 VAL A 21 -7.722 -6.619 1.311 1.00 0.00 C ATOM 0 H VAL A 21 -9.993 -7.736 0.153 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.479 -8.951 0.024 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.111 -7.856 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.016 -7.830 3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.510 -9.486 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.195 -8.691 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.581 -5.939 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.783 -6.722 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.486 -6.219 0.645 1.00 0.00 H new ATOM 283 N ASN A 22 -9.793 -10.644 1.661 1.00 0.00 N ATOM 284 CA ASN A 22 -10.122 -11.951 2.219 1.00 0.00 C ATOM 285 C ASN A 22 -9.937 -13.049 1.176 1.00 0.00 C ATOM 286 O ASN A 22 -9.825 -14.227 1.514 1.00 0.00 O ATOM 287 CB ASN A 22 -11.562 -11.961 2.736 1.00 0.00 C ATOM 288 CG ASN A 22 -12.556 -12.375 1.669 1.00 0.00 C ATOM 289 OD1 ASN A 22 -13.084 -11.397 0.941 1.00 0.00 O flip ATOM 290 ND2 ASN A 22 -12.846 -13.559 1.501 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.570 -9.983 1.648 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.444 -12.145 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.637 -12.644 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.820 -10.968 3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.416 -14.277 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -13.517 -13.822 0.779 1.00 0.00 H new ATOM 297 N ASN A 23 -9.905 -12.654 -0.093 1.00 0.00 N ATOM 298 CA ASN A 23 -9.733 -13.605 -1.185 1.00 0.00 C ATOM 299 C ASN A 23 -8.265 -13.715 -1.584 1.00 0.00 C ATOM 300 O ASN A 23 -7.863 -14.666 -2.254 1.00 0.00 O ATOM 301 CB ASN A 23 -10.571 -13.181 -2.393 1.00 0.00 C ATOM 302 CG ASN A 23 -12.004 -13.668 -2.302 1.00 0.00 C ATOM 303 OD1 ASN A 23 -12.801 -13.007 -1.469 1.00 0.00 O flip ATOM 304 ND2 ASN A 23 -12.391 -14.626 -2.972 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.996 -11.682 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.071 -14.582 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.564 -12.094 -2.473 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.115 -13.571 -3.303 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.744 -15.104 -3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.358 -14.941 -2.900 1.00 0.00 H new ATOM 311 N ALA A 24 -7.468 -12.736 -1.167 1.00 0.00 N ATOM 312 CA ALA A 24 -6.044 -12.725 -1.478 1.00 0.00 C ATOM 313 C ALA A 24 -5.226 -13.300 -0.327 1.00 0.00 C ATOM 314 O ALA A 24 -4.981 -12.623 0.672 1.00 0.00 O ATOM 315 CB ALA A 24 -5.586 -11.310 -1.799 1.00 0.00 C ATOM 0 H ALA A 24 -7.785 -11.940 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.883 -13.355 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.521 -11.316 -2.029 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.141 -10.934 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.768 -10.665 -0.939 1.00 0.00 H new ATOM 321 N ASP A 25 -4.807 -14.552 -0.473 1.00 0.00 N ATOM 322 CA ASP A 25 -4.016 -15.219 0.555 1.00 0.00 C ATOM 323 C ASP A 25 -3.089 -14.229 1.254 1.00 0.00 C ATOM 324 O ASP A 25 -3.152 -14.059 2.472 1.00 0.00 O ATOM 325 CB ASP A 25 -3.198 -16.356 -0.059 1.00 0.00 C ATOM 326 CG ASP A 25 -2.649 -17.305 0.989 1.00 0.00 C ATOM 327 OD1 ASP A 25 -1.610 -16.978 1.599 1.00 0.00 O ATOM 328 OD2 ASP A 25 -3.258 -18.375 1.198 1.00 0.00 O ATOM 0 H ASP A 25 -5.002 -15.126 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.701 -15.633 1.295 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.822 -16.913 -0.758 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.372 -15.937 -0.634 1.00 0.00 H new ATOM 333 N ILE A 26 -2.230 -13.579 0.476 1.00 0.00 N ATOM 334 CA ILE A 26 -1.291 -12.607 1.021 1.00 0.00 C ATOM 335 C ILE A 26 -1.286 -11.325 0.195 1.00 0.00 C ATOM 336 O ILE A 26 -0.861 -11.322 -0.961 1.00 0.00 O ATOM 337 CB ILE A 26 0.139 -13.175 1.076 1.00 0.00 C ATOM 338 CG1 ILE A 26 1.146 -12.056 1.351 1.00 0.00 C ATOM 339 CG2 ILE A 26 0.475 -13.889 -0.225 1.00 0.00 C ATOM 340 CD1 ILE A 26 2.486 -12.556 1.842 1.00 0.00 C ATOM 0 H ILE A 26 -2.165 -13.708 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.622 -12.382 2.035 1.00 0.00 H new ATOM 0 HB ILE A 26 0.196 -13.897 1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.295 -11.480 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.727 -11.376 2.093 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.489 -14.285 -0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.227 -14.708 -0.382 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.404 -13.186 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.149 -11.709 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.350 -13.107 2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.926 -13.213 1.092 1.00 0.00 H new ATOM 352 N ILE A 27 -1.758 -10.238 0.796 1.00 0.00 N ATOM 353 CA ILE A 27 -1.805 -8.950 0.117 1.00 0.00 C ATOM 354 C ILE A 27 -1.386 -7.820 1.051 1.00 0.00 C ATOM 355 O ILE A 27 -1.631 -7.874 2.257 1.00 0.00 O ATOM 356 CB ILE A 27 -3.214 -8.652 -0.430 1.00 0.00 C ATOM 357 CG1 ILE A 27 -3.158 -7.516 -1.453 1.00 0.00 C ATOM 358 CG2 ILE A 27 -4.160 -8.302 0.708 1.00 0.00 C ATOM 359 CD1 ILE A 27 -4.258 -7.581 -2.489 1.00 0.00 C ATOM 0 H ILE A 27 -2.113 -10.224 1.752 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.105 -9.008 -0.717 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.591 -9.545 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.220 -6.562 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.192 -7.540 -1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.152 -8.094 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.219 -9.140 1.403 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.789 -7.421 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.156 -6.745 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.184 -8.519 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.228 -7.526 -1.994 1.00 0.00 H new ATOM 371 N LEU A 28 -0.754 -6.797 0.487 1.00 0.00 N ATOM 372 CA LEU A 28 -0.301 -5.651 1.269 1.00 0.00 C ATOM 373 C LEU A 28 -1.050 -4.386 0.865 1.00 0.00 C ATOM 374 O LEU A 28 -1.116 -4.041 -0.315 1.00 0.00 O ATOM 375 CB LEU A 28 1.204 -5.447 1.088 1.00 0.00 C ATOM 376 CG LEU A 28 1.772 -4.132 1.622 1.00 0.00 C ATOM 377 CD1 LEU A 28 1.645 -4.071 3.136 1.00 0.00 C ATOM 378 CD2 LEU A 28 3.225 -3.968 1.200 1.00 0.00 C ATOM 0 H LEU A 28 -0.543 -6.737 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.509 -5.854 2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.724 -6.270 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.434 -5.514 0.025 1.00 0.00 H new ATOM 0 HG LEU A 28 1.196 -3.311 1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.055 -3.128 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.594 -4.141 3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.195 -4.900 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.613 -3.027 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.815 -4.795 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.290 -3.965 0.112 1.00 0.00 H new ATOM 390 N VAL A 29 -1.612 -3.696 1.852 1.00 0.00 N ATOM 391 CA VAL A 29 -2.354 -2.466 1.600 1.00 0.00 C ATOM 392 C VAL A 29 -1.541 -1.241 2.006 1.00 0.00 C ATOM 393 O VAL A 29 -0.827 -1.263 3.007 1.00 0.00 O ATOM 394 CB VAL A 29 -3.694 -2.453 2.359 1.00 0.00 C ATOM 395 CG1 VAL A 29 -4.307 -1.061 2.337 1.00 0.00 C ATOM 396 CG2 VAL A 29 -4.652 -3.476 1.765 1.00 0.00 C ATOM 0 H VAL A 29 -1.568 -3.968 2.834 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.551 -2.429 0.529 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.506 -2.725 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.253 -1.071 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.625 -0.356 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.483 -0.757 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.594 -3.454 2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.836 -3.237 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.213 -4.471 1.838 1.00 0.00 H new ATOM 406 N GLU A 30 -1.656 -0.175 1.220 1.00 0.00 N ATOM 407 CA GLU A 30 -0.931 1.059 1.498 1.00 0.00 C ATOM 408 C GLU A 30 -1.856 2.269 1.393 1.00 0.00 C ATOM 409 O GLU A 30 -2.282 2.645 0.301 1.00 0.00 O ATOM 410 CB GLU A 30 0.243 1.216 0.530 1.00 0.00 C ATOM 411 CG GLU A 30 0.685 2.657 0.337 1.00 0.00 C ATOM 412 CD GLU A 30 1.975 2.771 -0.451 1.00 0.00 C ATOM 413 OE1 GLU A 30 3.012 2.271 0.033 1.00 0.00 O ATOM 414 OE2 GLU A 30 1.948 3.360 -1.552 1.00 0.00 O ATOM 0 H GLU A 30 -2.244 -0.141 0.387 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.548 1.003 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.087 0.632 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.036 0.798 -0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.101 3.208 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.817 3.126 1.312 1.00 0.00 H new ATOM 421 N PHE A 31 -2.163 2.873 2.536 1.00 0.00 N ATOM 422 CA PHE A 31 -3.038 4.039 2.574 1.00 0.00 C ATOM 423 C PHE A 31 -2.259 5.314 2.262 1.00 0.00 C ATOM 424 O PHE A 31 -1.374 5.714 3.019 1.00 0.00 O ATOM 425 CB PHE A 31 -3.706 4.157 3.945 1.00 0.00 C ATOM 426 CG PHE A 31 -4.559 2.974 4.301 1.00 0.00 C ATOM 427 CD1 PHE A 31 -5.864 2.882 3.844 1.00 0.00 C ATOM 428 CD2 PHE A 31 -4.057 1.954 5.093 1.00 0.00 C ATOM 429 CE1 PHE A 31 -6.652 1.794 4.169 1.00 0.00 C ATOM 430 CE2 PHE A 31 -4.840 0.863 5.421 1.00 0.00 C ATOM 431 CZ PHE A 31 -6.139 0.784 4.959 1.00 0.00 C ATOM 0 H PHE A 31 -1.819 2.574 3.449 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.808 3.910 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.936 4.281 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.321 5.057 3.964 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.270 3.670 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.042 2.012 5.458 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.667 1.734 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.436 0.074 6.038 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.753 -0.067 5.215 1.00 0.00 H new ATOM 441 N TYR A 32 -2.595 5.946 1.144 1.00 0.00 N ATOM 442 CA TYR A 32 -1.926 7.174 0.730 1.00 0.00 C ATOM 443 C TYR A 32 -2.937 8.291 0.491 1.00 0.00 C ATOM 444 O TYR A 32 -4.145 8.058 0.478 1.00 0.00 O ATOM 445 CB TYR A 32 -1.108 6.931 -0.540 1.00 0.00 C ATOM 446 CG TYR A 32 -1.947 6.856 -1.795 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.512 5.654 -2.206 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.175 7.985 -2.572 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.279 5.581 -3.353 1.00 0.00 C ATOM 450 CE2 TYR A 32 -2.941 7.921 -3.719 1.00 0.00 C ATOM 451 CZ TYR A 32 -3.491 6.717 -4.106 1.00 0.00 C ATOM 452 OH TYR A 32 -4.254 6.648 -5.249 1.00 0.00 O ATOM 0 H TYR A 32 -3.326 5.629 0.508 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.256 7.481 1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.376 7.731 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.550 6.001 -0.430 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.349 4.762 -1.619 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.745 8.930 -2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.710 4.639 -3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.109 8.809 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.197 6.783 -5.021 1.00 0.00 H new ATOM 462 N ALA A 33 -2.433 9.506 0.301 1.00 0.00 N ATOM 463 CA ALA A 33 -3.290 10.660 0.059 1.00 0.00 C ATOM 464 C ALA A 33 -2.836 11.432 -1.175 1.00 0.00 C ATOM 465 O ALA A 33 -1.651 11.702 -1.366 1.00 0.00 O ATOM 466 CB ALA A 33 -3.305 11.570 1.278 1.00 0.00 C ATOM 0 H ALA A 33 -1.435 9.717 0.310 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.302 10.299 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.949 12.428 1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.684 11.019 2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.293 11.916 1.486 1.00 0.00 H new ATOM 472 N PRO A 34 -3.800 11.797 -2.033 1.00 0.00 N ATOM 473 CA PRO A 34 -3.523 12.543 -3.264 1.00 0.00 C ATOM 474 C PRO A 34 -3.092 13.979 -2.987 1.00 0.00 C ATOM 475 O PRO A 34 -2.871 14.760 -3.912 1.00 0.00 O ATOM 476 CB PRO A 34 -4.864 12.521 -4.002 1.00 0.00 C ATOM 477 CG PRO A 34 -5.884 12.354 -2.929 1.00 0.00 C ATOM 478 CD PRO A 34 -5.235 11.508 -1.868 1.00 0.00 C ATOM 0 HA PRO A 34 -2.702 12.104 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.024 13.443 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.907 11.702 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.188 13.320 -2.526 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.782 11.873 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.587 11.774 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.451 10.449 -2.010 1.00 0.00 H new ATOM 486 N TRP A 35 -2.973 14.319 -1.709 1.00 0.00 N ATOM 487 CA TRP A 35 -2.568 15.662 -1.310 1.00 0.00 C ATOM 488 C TRP A 35 -1.337 15.615 -0.411 1.00 0.00 C ATOM 489 O TRP A 35 -0.653 16.622 -0.225 1.00 0.00 O ATOM 490 CB TRP A 35 -3.715 16.371 -0.588 1.00 0.00 C ATOM 491 CG TRP A 35 -4.581 15.441 0.206 1.00 0.00 C ATOM 492 CD1 TRP A 35 -5.723 14.823 -0.217 1.00 0.00 C ATOM 493 CD2 TRP A 35 -4.377 15.027 1.561 1.00 0.00 C ATOM 494 NE1 TRP A 35 -6.240 14.049 0.794 1.00 0.00 N ATOM 495 CE2 TRP A 35 -5.432 14.156 1.895 1.00 0.00 C ATOM 496 CE3 TRP A 35 -3.403 15.305 2.525 1.00 0.00 C ATOM 497 CZ2 TRP A 35 -5.540 13.564 3.150 1.00 0.00 C ATOM 498 CZ3 TRP A 35 -3.512 14.717 3.770 1.00 0.00 C ATOM 499 CH2 TRP A 35 -4.574 13.855 4.074 1.00 0.00 C ATOM 0 H TRP A 35 -3.151 13.684 -0.931 1.00 0.00 H new ATOM 0 HA TRP A 35 -2.316 16.221 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.303 17.129 0.078 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -4.330 16.892 -1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.156 14.927 -1.201 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.088 13.486 0.734 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.580 15.968 2.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.357 12.899 3.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.766 14.925 4.522 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -4.631 13.412 5.057 1.00 0.00 H new ATOM 510 N CYS A 36 -1.061 14.440 0.145 1.00 0.00 N ATOM 511 CA CYS A 36 0.088 14.263 1.026 1.00 0.00 C ATOM 512 C CYS A 36 1.373 14.108 0.219 1.00 0.00 C ATOM 513 O CYS A 36 1.533 13.149 -0.535 1.00 0.00 O ATOM 514 CB CYS A 36 -0.115 13.041 1.923 1.00 0.00 C ATOM 515 SG CYS A 36 1.286 12.680 3.008 1.00 0.00 S ATOM 0 H CYS A 36 -1.617 13.597 0.001 1.00 0.00 H new ATOM 0 HA CYS A 36 0.177 15.152 1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.004 13.196 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.308 12.171 1.295 1.00 0.00 H new ATOM 0 HG CYS A 36 1.018 11.631 3.728 1.00 0.00 H new ATOM 521 N GLY A 37 2.287 15.060 0.381 1.00 0.00 N ATOM 522 CA GLY A 37 3.545 15.012 -0.340 1.00 0.00 C ATOM 523 C GLY A 37 4.338 13.756 -0.039 1.00 0.00 C ATOM 524 O GLY A 37 4.631 12.967 -0.939 1.00 0.00 O ATOM 0 H GLY A 37 2.178 15.864 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.349 15.066 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.142 15.886 -0.081 1.00 0.00 H new ATOM 528 N HIS A 38 4.688 13.568 1.230 1.00 0.00 N ATOM 529 CA HIS A 38 5.454 12.399 1.646 1.00 0.00 C ATOM 530 C HIS A 38 5.015 11.158 0.874 1.00 0.00 C ATOM 531 O HIS A 38 5.831 10.292 0.556 1.00 0.00 O ATOM 532 CB HIS A 38 5.288 12.163 3.148 1.00 0.00 C ATOM 533 CG HIS A 38 5.602 13.367 3.981 1.00 0.00 C ATOM 534 ND1 HIS A 38 4.860 14.462 4.271 1.00 0.00 N flip ATOM 535 CD2 HIS A 38 6.808 13.541 4.628 1.00 0.00 C flip ATOM 536 CE1 HIS A 38 5.623 15.268 5.080 1.00 0.00 C flip ATOM 537 NE2 HIS A 38 6.793 14.690 5.280 1.00 0.00 N flip ATOM 0 H HIS A 38 4.453 14.210 1.987 1.00 0.00 H new ATOM 0 HA HIS A 38 6.505 12.588 1.428 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.263 11.851 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.937 11.341 3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.635 12.847 4.605 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.316 16.220 5.487 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.556 15.067 5.843 1.00 0.00 H new ATOM 546 N CYS A 39 3.723 11.080 0.575 1.00 0.00 N ATOM 547 CA CYS A 39 3.176 9.945 -0.160 1.00 0.00 C ATOM 548 C CYS A 39 3.628 9.970 -1.616 1.00 0.00 C ATOM 549 O CYS A 39 4.061 8.955 -2.161 1.00 0.00 O ATOM 550 CB CYS A 39 1.648 9.953 -0.087 1.00 0.00 C ATOM 551 SG CYS A 39 0.974 9.135 1.378 1.00 0.00 S ATOM 0 H CYS A 39 3.035 11.789 0.830 1.00 0.00 H new ATOM 0 HA CYS A 39 3.550 9.031 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 39 1.300 10.986 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 39 1.250 9.466 -0.977 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.035 9.818 1.831 1.00 0.00 H new ATOM 557 N LYS A 40 3.523 11.138 -2.242 1.00 0.00 N ATOM 558 CA LYS A 40 3.921 11.297 -3.636 1.00 0.00 C ATOM 559 C LYS A 40 5.242 10.586 -3.910 1.00 0.00 C ATOM 560 O LYS A 40 5.517 10.177 -5.038 1.00 0.00 O ATOM 561 CB LYS A 40 4.047 12.782 -3.985 1.00 0.00 C ATOM 562 CG LYS A 40 2.759 13.396 -4.507 1.00 0.00 C ATOM 563 CD LYS A 40 1.560 12.962 -3.681 1.00 0.00 C ATOM 564 CE LYS A 40 0.251 13.336 -4.359 1.00 0.00 C ATOM 565 NZ LYS A 40 -0.138 12.345 -5.399 1.00 0.00 N ATOM 0 H LYS A 40 3.166 11.988 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 40 3.150 10.846 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.367 13.329 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.828 12.905 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.840 14.483 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.611 13.104 -5.547 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.595 11.884 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.607 13.428 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.538 13.406 -3.611 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.347 14.322 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.035 12.636 -5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.603 12.296 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.254 11.409 -4.961 1.00 0.00 H new ATOM 579 N LYS A 41 6.056 10.440 -2.871 1.00 0.00 N ATOM 580 CA LYS A 41 7.348 9.775 -2.997 1.00 0.00 C ATOM 581 C LYS A 41 7.188 8.259 -2.943 1.00 0.00 C ATOM 582 O LYS A 41 7.886 7.525 -3.643 1.00 0.00 O ATOM 583 CB LYS A 41 8.295 10.238 -1.888 1.00 0.00 C ATOM 584 CG LYS A 41 8.252 9.363 -0.647 1.00 0.00 C ATOM 585 CD LYS A 41 8.677 10.132 0.593 1.00 0.00 C ATOM 586 CE LYS A 41 10.182 10.061 0.804 1.00 0.00 C ATOM 587 NZ LYS A 41 10.897 11.141 0.069 1.00 0.00 N ATOM 0 H LYS A 41 5.844 10.774 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 41 7.773 10.044 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.314 10.255 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.043 11.261 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.242 8.976 -0.508 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.907 8.502 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.370 11.174 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.166 9.727 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.403 10.138 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.550 9.090 0.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.717 10.739 -0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.253 11.576 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.221 11.864 0.743 1.00 0.00 H new ATOM 601 N LEU A 42 6.263 7.796 -2.109 1.00 0.00 N ATOM 602 CA LEU A 42 6.010 6.367 -1.964 1.00 0.00 C ATOM 603 C LEU A 42 5.188 5.839 -3.135 1.00 0.00 C ATOM 604 O LEU A 42 5.320 4.679 -3.526 1.00 0.00 O ATOM 605 CB LEU A 42 5.281 6.089 -0.648 1.00 0.00 C ATOM 606 CG LEU A 42 4.927 4.627 -0.373 1.00 0.00 C ATOM 607 CD1 LEU A 42 6.188 3.781 -0.281 1.00 0.00 C ATOM 608 CD2 LEU A 42 4.109 4.508 0.905 1.00 0.00 C ATOM 0 H LEU A 42 5.676 8.390 -1.523 1.00 0.00 H new ATOM 0 HA LEU A 42 6.970 5.852 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.901 6.452 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.361 6.673 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 42 4.325 4.256 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.917 2.744 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.736 3.841 -1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.816 4.151 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.866 3.461 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.686 4.896 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.188 5.082 0.802 1.00 0.00 H new ATOM 620 N ALA A 43 4.341 6.698 -3.693 1.00 0.00 N ATOM 621 CA ALA A 43 3.501 6.319 -4.822 1.00 0.00 C ATOM 622 C ALA A 43 4.245 5.383 -5.769 1.00 0.00 C ATOM 623 O ALA A 43 3.837 4.245 -6.002 1.00 0.00 O ATOM 624 CB ALA A 43 3.027 7.558 -5.567 1.00 0.00 C ATOM 0 H ALA A 43 4.219 7.661 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 43 2.632 5.787 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.401 7.260 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.451 8.190 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.890 8.113 -5.936 1.00 0.00 H new ATOM 630 N PRO A 44 5.361 5.871 -6.330 1.00 0.00 N ATOM 631 CA PRO A 44 6.184 5.094 -7.262 1.00 0.00 C ATOM 632 C PRO A 44 6.915 3.948 -6.571 1.00 0.00 C ATOM 633 O PRO A 44 7.125 2.889 -7.162 1.00 0.00 O ATOM 634 CB PRO A 44 7.184 6.123 -7.794 1.00 0.00 C ATOM 635 CG PRO A 44 7.271 7.156 -6.725 1.00 0.00 C ATOM 636 CD PRO A 44 5.905 7.220 -6.099 1.00 0.00 C ATOM 0 HA PRO A 44 5.584 4.621 -8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.156 5.668 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.844 6.555 -8.735 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.027 6.890 -5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.556 8.123 -7.139 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.961 7.454 -5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.286 7.988 -6.563 1.00 0.00 H new ATOM 644 N GLU A 45 7.300 4.168 -5.318 1.00 0.00 N ATOM 645 CA GLU A 45 8.009 3.152 -4.548 1.00 0.00 C ATOM 646 C GLU A 45 7.087 1.984 -4.210 1.00 0.00 C ATOM 647 O GLU A 45 7.547 0.881 -3.914 1.00 0.00 O ATOM 648 CB GLU A 45 8.575 3.757 -3.262 1.00 0.00 C ATOM 649 CG GLU A 45 9.537 4.908 -3.503 1.00 0.00 C ATOM 650 CD GLU A 45 10.813 4.467 -4.194 1.00 0.00 C ATOM 651 OE1 GLU A 45 11.243 3.317 -3.968 1.00 0.00 O ATOM 652 OE2 GLU A 45 11.381 5.273 -4.961 1.00 0.00 O ATOM 0 H GLU A 45 7.133 5.039 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 45 8.832 2.779 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.750 4.108 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.088 2.977 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.044 5.668 -4.109 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.787 5.374 -2.550 1.00 0.00 H new ATOM 659 N TYR A 46 5.783 2.235 -4.256 1.00 0.00 N ATOM 660 CA TYR A 46 4.796 1.206 -3.952 1.00 0.00 C ATOM 661 C TYR A 46 4.365 0.473 -5.219 1.00 0.00 C ATOM 662 O TYR A 46 4.334 -0.756 -5.258 1.00 0.00 O ATOM 663 CB TYR A 46 3.576 1.826 -3.268 1.00 0.00 C ATOM 664 CG TYR A 46 2.628 0.805 -2.681 1.00 0.00 C ATOM 665 CD1 TYR A 46 2.982 0.062 -1.562 1.00 0.00 C ATOM 666 CD2 TYR A 46 1.376 0.586 -3.244 1.00 0.00 C ATOM 667 CE1 TYR A 46 2.118 -0.872 -1.022 1.00 0.00 C ATOM 668 CE2 TYR A 46 0.506 -0.344 -2.710 1.00 0.00 C ATOM 669 CZ TYR A 46 0.882 -1.071 -1.600 1.00 0.00 C ATOM 670 OH TYR A 46 0.018 -1.999 -1.064 1.00 0.00 O ATOM 0 H TYR A 46 5.385 3.142 -4.501 1.00 0.00 H new ATOM 0 HA TYR A 46 5.256 0.485 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.914 2.493 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.036 2.438 -3.991 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.949 0.217 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.079 1.153 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.409 -1.443 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.464 -0.501 -3.159 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.857 -1.584 -0.916 1.00 0.00 H new ATOM 680 N GLU A 47 4.033 1.239 -6.254 1.00 0.00 N ATOM 681 CA GLU A 47 3.603 0.663 -7.523 1.00 0.00 C ATOM 682 C GLU A 47 4.747 -0.096 -8.191 1.00 0.00 C ATOM 683 O GLU A 47 4.522 -1.041 -8.947 1.00 0.00 O ATOM 684 CB GLU A 47 3.090 1.760 -8.458 1.00 0.00 C ATOM 685 CG GLU A 47 1.846 2.465 -7.943 1.00 0.00 C ATOM 686 CD GLU A 47 1.365 3.556 -8.880 1.00 0.00 C ATOM 687 OE1 GLU A 47 2.141 4.499 -9.142 1.00 0.00 O ATOM 688 OE2 GLU A 47 0.211 3.467 -9.351 1.00 0.00 O ATOM 0 H GLU A 47 4.054 2.259 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 47 2.794 -0.039 -7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.879 2.497 -8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.873 1.323 -9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.050 1.734 -7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.057 2.898 -6.965 1.00 0.00 H new ATOM 695 N LYS A 48 5.974 0.326 -7.906 1.00 0.00 N ATOM 696 CA LYS A 48 7.154 -0.313 -8.477 1.00 0.00 C ATOM 697 C LYS A 48 7.440 -1.644 -7.789 1.00 0.00 C ATOM 698 O LYS A 48 7.724 -2.645 -8.446 1.00 0.00 O ATOM 699 CB LYS A 48 8.369 0.609 -8.352 1.00 0.00 C ATOM 700 CG LYS A 48 8.415 1.702 -9.406 1.00 0.00 C ATOM 701 CD LYS A 48 9.401 2.796 -9.032 1.00 0.00 C ATOM 702 CE LYS A 48 9.363 3.944 -10.029 1.00 0.00 C ATOM 703 NZ LYS A 48 10.342 5.012 -9.682 1.00 0.00 N ATOM 0 H LYS A 48 6.177 1.108 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 48 6.957 -0.505 -9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.365 1.069 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.277 0.010 -8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.696 1.271 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.421 2.133 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.170 3.171 -8.035 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.408 2.381 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.578 3.565 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.359 4.367 -10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.239 5.806 -10.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.164 5.345 -8.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.308 4.632 -9.746 1.00 0.00 H new ATOM 717 N ALA A 49 7.361 -1.648 -6.462 1.00 0.00 N ATOM 718 CA ALA A 49 7.607 -2.856 -5.686 1.00 0.00 C ATOM 719 C ALA A 49 6.639 -3.968 -6.078 1.00 0.00 C ATOM 720 O ALA A 49 6.998 -5.144 -6.081 1.00 0.00 O ATOM 721 CB ALA A 49 7.498 -2.559 -4.198 1.00 0.00 C ATOM 0 H ALA A 49 7.128 -0.827 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 49 8.619 -3.198 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.684 -3.471 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.234 -1.804 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.498 -2.190 -3.973 1.00 0.00 H new ATOM 727 N ALA A 50 5.409 -3.586 -6.408 1.00 0.00 N ATOM 728 CA ALA A 50 4.390 -4.550 -6.803 1.00 0.00 C ATOM 729 C ALA A 50 4.795 -5.287 -8.074 1.00 0.00 C ATOM 730 O ALA A 50 4.513 -6.475 -8.233 1.00 0.00 O ATOM 731 CB ALA A 50 3.052 -3.853 -6.997 1.00 0.00 C ATOM 0 H ALA A 50 5.095 -2.616 -6.409 1.00 0.00 H new ATOM 0 HA ALA A 50 4.291 -5.286 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.300 -4.585 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.750 -3.379 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.146 -3.095 -7.775 1.00 0.00 H new ATOM 737 N LYS A 51 5.458 -4.575 -8.980 1.00 0.00 N ATOM 738 CA LYS A 51 5.903 -5.161 -10.239 1.00 0.00 C ATOM 739 C LYS A 51 6.883 -6.302 -9.991 1.00 0.00 C ATOM 740 O LYS A 51 6.770 -7.371 -10.591 1.00 0.00 O ATOM 741 CB LYS A 51 6.557 -4.094 -11.118 1.00 0.00 C ATOM 742 CG LYS A 51 5.561 -3.171 -11.798 1.00 0.00 C ATOM 743 CD LYS A 51 6.262 -2.057 -12.559 1.00 0.00 C ATOM 744 CE LYS A 51 5.271 -1.203 -13.335 1.00 0.00 C ATOM 745 NZ LYS A 51 5.739 0.204 -13.473 1.00 0.00 N ATOM 0 H LYS A 51 5.699 -3.591 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 51 5.030 -5.562 -10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.234 -3.497 -10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.163 -4.584 -11.879 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.940 -3.747 -12.484 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.895 -2.739 -11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.815 -1.430 -11.860 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.990 -2.487 -13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.118 -1.633 -14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.306 -1.217 -12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.036 0.753 -14.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.861 0.623 -12.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.648 0.220 -13.979 1.00 0.00 H new ATOM 759 N GLU A 52 7.844 -6.069 -9.102 1.00 0.00 N ATOM 760 CA GLU A 52 8.844 -7.079 -8.775 1.00 0.00 C ATOM 761 C GLU A 52 8.195 -8.295 -8.120 1.00 0.00 C ATOM 762 O GLU A 52 8.415 -9.432 -8.538 1.00 0.00 O ATOM 763 CB GLU A 52 9.909 -6.493 -7.847 1.00 0.00 C ATOM 764 CG GLU A 52 10.515 -5.196 -8.357 1.00 0.00 C ATOM 765 CD GLU A 52 11.944 -4.997 -7.892 1.00 0.00 C ATOM 766 OE1 GLU A 52 12.252 -5.372 -6.741 1.00 0.00 O ATOM 767 OE2 GLU A 52 12.756 -4.467 -8.679 1.00 0.00 O ATOM 0 H GLU A 52 7.951 -5.190 -8.596 1.00 0.00 H new ATOM 0 HA GLU A 52 9.318 -7.398 -9.703 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.467 -6.317 -6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.704 -7.227 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.487 -5.190 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.907 -4.357 -8.018 1.00 0.00 H new ATOM 774 N LEU A 53 7.394 -8.046 -7.089 1.00 0.00 N ATOM 775 CA LEU A 53 6.712 -9.120 -6.374 1.00 0.00 C ATOM 776 C LEU A 53 5.828 -9.927 -7.318 1.00 0.00 C ATOM 777 O LEU A 53 5.741 -11.150 -7.210 1.00 0.00 O ATOM 778 CB LEU A 53 5.870 -8.545 -5.233 1.00 0.00 C ATOM 779 CG LEU A 53 6.621 -8.219 -3.942 1.00 0.00 C ATOM 780 CD1 LEU A 53 5.709 -7.502 -2.960 1.00 0.00 C ATOM 781 CD2 LEU A 53 7.186 -9.488 -3.319 1.00 0.00 C ATOM 0 H LEU A 53 7.201 -7.111 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 53 7.469 -9.785 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.387 -7.635 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.078 -9.256 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 53 7.451 -7.556 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.261 -7.278 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.353 -6.573 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.858 -8.140 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.717 -9.237 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.371 -10.175 -3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.874 -9.962 -4.019 1.00 0.00 H new ATOM 793 N SER A 54 5.173 -9.234 -8.244 1.00 0.00 N ATOM 794 CA SER A 54 4.293 -9.887 -9.207 1.00 0.00 C ATOM 795 C SER A 54 5.073 -10.865 -10.080 1.00 0.00 C ATOM 796 O SER A 54 4.540 -11.882 -10.523 1.00 0.00 O ATOM 797 CB SER A 54 3.600 -8.843 -10.085 1.00 0.00 C ATOM 798 OG SER A 54 2.819 -7.956 -9.303 1.00 0.00 O ATOM 0 H SER A 54 5.235 -8.221 -8.348 1.00 0.00 H new ATOM 0 HA SER A 54 3.538 -10.445 -8.653 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.347 -8.279 -10.643 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.965 -9.342 -10.817 1.00 0.00 H new ATOM 0 HG SER A 54 3.379 -7.215 -8.991 1.00 0.00 H new ATOM 804 N LYS A 55 6.341 -10.549 -10.325 1.00 0.00 N ATOM 805 CA LYS A 55 7.197 -11.398 -11.143 1.00 0.00 C ATOM 806 C LYS A 55 8.018 -12.344 -10.272 1.00 0.00 C ATOM 807 O LYS A 55 8.916 -13.031 -10.761 1.00 0.00 O ATOM 808 CB LYS A 55 8.130 -10.541 -12.002 1.00 0.00 C ATOM 809 CG LYS A 55 9.027 -9.620 -11.193 1.00 0.00 C ATOM 810 CD LYS A 55 10.185 -9.097 -12.026 1.00 0.00 C ATOM 811 CE LYS A 55 11.400 -10.006 -11.923 1.00 0.00 C ATOM 812 NZ LYS A 55 12.302 -9.862 -13.099 1.00 0.00 N ATOM 0 H LYS A 55 6.798 -9.710 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 55 6.558 -11.994 -11.795 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.752 -11.196 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.531 -9.941 -12.687 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.442 -8.782 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.414 -10.156 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.877 -9.016 -13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.450 -8.094 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.951 -9.773 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.072 -11.042 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.118 -10.498 -12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.784 -10.108 -13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.635 -8.879 -13.162 1.00 0.00 H new ATOM 826 N ARG A 56 7.704 -12.375 -8.982 1.00 0.00 N ATOM 827 CA ARG A 56 8.412 -13.237 -8.043 1.00 0.00 C ATOM 828 C ARG A 56 7.581 -14.471 -7.704 1.00 0.00 C ATOM 829 O ARG A 56 6.508 -14.683 -8.269 1.00 0.00 O ATOM 830 CB ARG A 56 8.748 -12.467 -6.764 1.00 0.00 C ATOM 831 CG ARG A 56 10.089 -11.754 -6.818 1.00 0.00 C ATOM 832 CD ARG A 56 10.432 -11.113 -5.482 1.00 0.00 C ATOM 833 NE ARG A 56 10.552 -12.104 -4.415 1.00 0.00 N ATOM 834 CZ ARG A 56 11.574 -12.946 -4.306 1.00 0.00 C ATOM 835 NH1 ARG A 56 12.558 -12.918 -5.194 1.00 0.00 N ATOM 836 NH2 ARG A 56 11.611 -13.819 -3.307 1.00 0.00 N ATOM 0 H ARG A 56 6.963 -11.813 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 56 9.338 -13.563 -8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.964 -11.734 -6.574 1.00 0.00 H new ATOM 0 HB3 ARG A 56 8.748 -13.159 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.869 -12.464 -7.093 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.065 -10.989 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.369 -10.563 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.661 -10.388 -5.219 1.00 0.00 H new ATOM 0 HE ARG A 56 9.811 -12.152 -3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.532 -12.249 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 56 13.341 -13.566 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.855 -13.844 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.396 -14.465 -3.223 1.00 0.00 H new ATOM 850 N SER A 57 8.084 -15.281 -6.778 1.00 0.00 N ATOM 851 CA SER A 57 7.390 -16.495 -6.366 1.00 0.00 C ATOM 852 C SER A 57 7.771 -16.882 -4.940 1.00 0.00 C ATOM 853 O SER A 57 8.940 -17.097 -4.620 1.00 0.00 O ATOM 854 CB SER A 57 7.716 -17.644 -7.323 1.00 0.00 C ATOM 855 OG SER A 57 6.913 -18.779 -7.049 1.00 0.00 O ATOM 0 H SER A 57 8.970 -15.118 -6.299 1.00 0.00 H new ATOM 0 HA SER A 57 6.318 -16.299 -6.396 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.556 -17.321 -8.352 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.769 -17.909 -7.232 1.00 0.00 H new ATOM 0 HG SER A 57 7.139 -19.498 -7.675 1.00 0.00 H new ATOM 861 N PRO A 58 6.761 -16.973 -4.062 1.00 0.00 N ATOM 862 CA PRO A 58 5.366 -16.719 -4.432 1.00 0.00 C ATOM 863 C PRO A 58 5.104 -15.246 -4.730 1.00 0.00 C ATOM 864 O PRO A 58 5.662 -14.351 -4.095 1.00 0.00 O ATOM 865 CB PRO A 58 4.584 -17.161 -3.192 1.00 0.00 C ATOM 866 CG PRO A 58 5.549 -17.021 -2.066 1.00 0.00 C ATOM 867 CD PRO A 58 6.904 -17.331 -2.641 1.00 0.00 C ATOM 0 HA PRO A 58 5.083 -17.248 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.702 -16.539 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.236 -18.189 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.522 -16.013 -1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.304 -17.706 -1.254 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.689 -16.749 -2.157 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.163 -18.382 -2.515 1.00 0.00 H new ATOM 875 N PRO A 59 4.234 -14.987 -5.718 1.00 0.00 N ATOM 876 CA PRO A 59 3.878 -13.623 -6.121 1.00 0.00 C ATOM 877 C PRO A 59 3.044 -12.906 -5.065 1.00 0.00 C ATOM 878 O PRO A 59 1.955 -13.358 -4.709 1.00 0.00 O ATOM 879 CB PRO A 59 3.060 -13.833 -7.398 1.00 0.00 C ATOM 880 CG PRO A 59 2.501 -15.208 -7.267 1.00 0.00 C ATOM 881 CD PRO A 59 3.532 -16.005 -6.516 1.00 0.00 C ATOM 0 HA PRO A 59 4.758 -12.996 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.267 -13.090 -7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.684 -13.742 -8.287 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.552 -15.194 -6.731 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.307 -15.645 -8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.071 -16.764 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.211 -16.523 -7.193 1.00 0.00 H new ATOM 889 N ILE A 60 3.561 -11.786 -4.570 1.00 0.00 N ATOM 890 CA ILE A 60 2.861 -11.006 -3.557 1.00 0.00 C ATOM 891 C ILE A 60 2.332 -9.699 -4.137 1.00 0.00 C ATOM 892 O ILE A 60 3.038 -8.693 -4.212 1.00 0.00 O ATOM 893 CB ILE A 60 3.777 -10.690 -2.359 1.00 0.00 C ATOM 894 CG1 ILE A 60 4.242 -11.984 -1.688 1.00 0.00 C ATOM 895 CG2 ILE A 60 3.053 -9.799 -1.360 1.00 0.00 C ATOM 896 CD1 ILE A 60 5.332 -11.774 -0.662 1.00 0.00 C ATOM 0 H ILE A 60 4.461 -11.399 -4.854 1.00 0.00 H new ATOM 0 HA ILE A 60 2.023 -11.613 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 60 4.655 -10.157 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.388 -12.461 -1.207 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.602 -12.672 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.713 -9.584 -0.519 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.768 -8.865 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.159 -10.308 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.612 -12.733 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.202 -11.325 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.969 -11.112 0.124 1.00 0.00 H new ATOM 908 N PRO A 61 1.058 -9.711 -4.556 1.00 0.00 N ATOM 909 CA PRO A 61 0.404 -8.533 -5.135 1.00 0.00 C ATOM 910 C PRO A 61 0.157 -7.440 -4.101 1.00 0.00 C ATOM 911 O PRO A 61 -0.165 -7.725 -2.947 1.00 0.00 O ATOM 912 CB PRO A 61 -0.924 -9.086 -5.658 1.00 0.00 C ATOM 913 CG PRO A 61 -1.189 -10.289 -4.820 1.00 0.00 C ATOM 914 CD PRO A 61 0.158 -10.874 -4.497 1.00 0.00 C ATOM 0 HA PRO A 61 1.017 -8.063 -5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.724 -8.352 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.856 -9.346 -6.714 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.726 -10.020 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.809 -11.008 -5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.168 -11.340 -3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.446 -11.641 -5.216 1.00 0.00 H new ATOM 922 N LEU A 62 0.309 -6.189 -4.521 1.00 0.00 N ATOM 923 CA LEU A 62 0.101 -5.053 -3.631 1.00 0.00 C ATOM 924 C LEU A 62 -1.198 -4.327 -3.969 1.00 0.00 C ATOM 925 O LEU A 62 -1.685 -4.398 -5.097 1.00 0.00 O ATOM 926 CB LEU A 62 1.280 -4.083 -3.726 1.00 0.00 C ATOM 927 CG LEU A 62 2.420 -4.314 -2.733 1.00 0.00 C ATOM 928 CD1 LEU A 62 3.086 -5.658 -2.989 1.00 0.00 C ATOM 929 CD2 LEU A 62 3.439 -3.187 -2.820 1.00 0.00 C ATOM 0 H LEU A 62 0.576 -5.936 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 62 0.030 -5.430 -2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.688 -4.136 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.903 -3.070 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 62 2.003 -4.324 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.895 -5.806 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.352 -6.455 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.490 -5.677 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.243 -3.368 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.851 -3.146 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.954 -2.239 -2.587 1.00 0.00 H new ATOM 941 N ALA A 63 -1.752 -3.627 -2.984 1.00 0.00 N ATOM 942 CA ALA A 63 -2.991 -2.885 -3.178 1.00 0.00 C ATOM 943 C ALA A 63 -2.880 -1.474 -2.609 1.00 0.00 C ATOM 944 O ALA A 63 -2.349 -1.273 -1.517 1.00 0.00 O ATOM 945 CB ALA A 63 -4.156 -3.624 -2.537 1.00 0.00 C ATOM 0 H ALA A 63 -1.362 -3.559 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.173 -2.804 -4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.075 -3.058 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.257 -4.609 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.972 -3.736 -1.468 1.00 0.00 H new ATOM 951 N LYS A 64 -3.385 -0.498 -3.357 1.00 0.00 N ATOM 952 CA LYS A 64 -3.344 0.894 -2.928 1.00 0.00 C ATOM 953 C LYS A 64 -4.740 1.396 -2.574 1.00 0.00 C ATOM 954 O LYS A 64 -5.706 1.131 -3.290 1.00 0.00 O ATOM 955 CB LYS A 64 -2.739 1.771 -4.028 1.00 0.00 C ATOM 956 CG LYS A 64 -3.478 1.682 -5.352 1.00 0.00 C ATOM 957 CD LYS A 64 -4.494 2.803 -5.499 1.00 0.00 C ATOM 958 CE LYS A 64 -5.207 2.735 -6.841 1.00 0.00 C ATOM 959 NZ LYS A 64 -4.407 3.368 -7.926 1.00 0.00 N ATOM 0 H LYS A 64 -3.828 -0.647 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.718 0.955 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.735 2.808 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.699 1.481 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.763 1.728 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.984 0.719 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.226 2.741 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.992 3.766 -5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.404 1.694 -7.095 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.174 3.233 -6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.927 3.301 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.240 4.368 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.495 2.877 -8.016 1.00 0.00 H new ATOM 973 N VAL A 65 -4.839 2.124 -1.466 1.00 0.00 N ATOM 974 CA VAL A 65 -6.117 2.665 -1.019 1.00 0.00 C ATOM 975 C VAL A 65 -5.986 4.133 -0.629 1.00 0.00 C ATOM 976 O VAL A 65 -4.991 4.540 -0.028 1.00 0.00 O ATOM 977 CB VAL A 65 -6.673 1.874 0.180 1.00 0.00 C ATOM 978 CG1 VAL A 65 -8.023 2.430 0.607 1.00 0.00 C ATOM 979 CG2 VAL A 65 -6.780 0.396 -0.161 1.00 0.00 C ATOM 0 H VAL A 65 -4.050 2.353 -0.862 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.809 2.575 -1.856 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.982 1.982 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.400 1.859 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.911 3.475 0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.726 2.355 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.175 -0.148 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.449 0.266 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.793 0.008 -0.414 1.00 0.00 H new ATOM 989 N ASP A 66 -6.996 4.924 -0.973 1.00 0.00 N ATOM 990 CA ASP A 66 -6.995 6.347 -0.657 1.00 0.00 C ATOM 991 C ASP A 66 -7.787 6.622 0.617 1.00 0.00 C ATOM 992 O ASP A 66 -9.009 6.768 0.581 1.00 0.00 O ATOM 993 CB ASP A 66 -7.581 7.150 -1.820 1.00 0.00 C ATOM 994 CG ASP A 66 -6.579 7.367 -2.937 1.00 0.00 C ATOM 995 OD1 ASP A 66 -5.465 7.853 -2.649 1.00 0.00 O ATOM 996 OD2 ASP A 66 -6.909 7.050 -4.099 1.00 0.00 O ATOM 0 H ASP A 66 -7.826 4.603 -1.471 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.963 6.657 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.453 6.629 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.926 8.116 -1.453 1.00 0.00 H new ATOM 1001 N ALA A 67 -7.083 6.689 1.742 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.721 6.947 3.028 1.00 0.00 C ATOM 1003 C ALA A 67 -8.645 8.157 2.949 1.00 0.00 C ATOM 1004 O ALA A 67 -9.665 8.219 3.637 1.00 0.00 O ATOM 1005 CB ALA A 67 -6.668 7.153 4.107 1.00 0.00 C ATOM 0 H ALA A 67 -6.071 6.568 1.789 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.326 6.078 3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.158 7.345 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.051 6.258 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.040 8.004 3.844 1.00 0.00 H new ATOM 1011 N THR A 68 -8.282 9.120 2.107 1.00 0.00 N ATOM 1012 CA THR A 68 -9.077 10.330 1.941 1.00 0.00 C ATOM 1013 C THR A 68 -10.451 10.009 1.363 1.00 0.00 C ATOM 1014 O THR A 68 -11.426 10.710 1.633 1.00 0.00 O ATOM 1015 CB THR A 68 -8.371 11.345 1.022 1.00 0.00 C ATOM 1016 OG1 THR A 68 -9.340 12.165 0.361 1.00 0.00 O ATOM 1017 CG2 THR A 68 -7.512 10.632 -0.013 1.00 0.00 C ATOM 0 H THR A 68 -7.442 9.085 1.529 1.00 0.00 H new ATOM 0 HA THR A 68 -9.195 10.769 2.932 1.00 0.00 H new ATOM 0 HB THR A 68 -7.726 11.971 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.883 12.808 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.023 11.369 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.756 10.032 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.141 9.984 -0.624 1.00 0.00 H new ATOM 1025 N GLU A 69 -10.520 8.946 0.568 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.776 8.534 -0.047 1.00 0.00 C ATOM 1027 C GLU A 69 -12.334 7.288 0.635 1.00 0.00 C ATOM 1028 O GLU A 69 -13.516 6.973 0.503 1.00 0.00 O ATOM 1029 CB GLU A 69 -11.574 8.264 -1.540 1.00 0.00 C ATOM 1030 CG GLU A 69 -12.871 8.217 -2.331 1.00 0.00 C ATOM 1031 CD GLU A 69 -13.471 9.593 -2.549 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -12.828 10.420 -3.227 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -14.585 9.841 -2.041 1.00 0.00 O ATOM 0 H GLU A 69 -9.722 8.355 0.335 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.493 9.346 0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.932 9.040 -1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.050 7.316 -1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.686 7.748 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.591 7.590 -1.805 1.00 0.00 H new ATOM 1040 N GLN A 70 -11.473 6.585 1.364 1.00 0.00 N ATOM 1041 CA GLN A 70 -11.879 5.373 2.066 1.00 0.00 C ATOM 1042 C GLN A 70 -11.673 5.521 3.570 1.00 0.00 C ATOM 1043 O GLN A 70 -11.507 4.532 4.286 1.00 0.00 O ATOM 1044 CB GLN A 70 -11.091 4.170 1.547 1.00 0.00 C ATOM 1045 CG GLN A 70 -11.191 3.979 0.043 1.00 0.00 C ATOM 1046 CD GLN A 70 -12.624 3.851 -0.435 1.00 0.00 C ATOM 1047 OE1 GLN A 70 -13.525 3.542 0.345 1.00 0.00 O ATOM 1048 NE2 GLN A 70 -12.843 4.090 -1.723 1.00 0.00 N ATOM 0 H GLN A 70 -10.491 6.834 1.484 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.940 5.212 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.043 4.288 1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.451 3.269 2.044 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.719 4.823 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.635 3.086 -0.244 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.066 4.343 -2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.788 4.020 -2.101 1.00 0.00 H new ATOM 1057 N THR A 71 -11.684 6.763 4.045 1.00 0.00 N ATOM 1058 CA THR A 71 -11.497 7.040 5.464 1.00 0.00 C ATOM 1059 C THR A 71 -12.081 5.925 6.324 1.00 0.00 C ATOM 1060 O THR A 71 -11.395 5.363 7.178 1.00 0.00 O ATOM 1061 CB THR A 71 -12.149 8.377 5.866 1.00 0.00 C ATOM 1062 OG1 THR A 71 -13.566 8.308 5.675 1.00 0.00 O ATOM 1063 CG2 THR A 71 -11.577 9.525 5.047 1.00 0.00 C ATOM 0 H THR A 71 -11.820 7.593 3.468 1.00 0.00 H new ATOM 0 HA THR A 71 -10.422 7.102 5.635 1.00 0.00 H new ATOM 0 HB THR A 71 -11.933 8.559 6.919 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.973 9.161 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.052 10.459 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.503 9.593 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.766 9.346 3.989 1.00 0.00 H new ATOM 1071 N ASP A 72 -13.350 5.609 6.093 1.00 0.00 N ATOM 1072 CA ASP A 72 -14.026 4.558 6.846 1.00 0.00 C ATOM 1073 C ASP A 72 -13.075 3.401 7.137 1.00 0.00 C ATOM 1074 O ASP A 72 -12.928 2.979 8.285 1.00 0.00 O ATOM 1075 CB ASP A 72 -15.245 4.051 6.073 1.00 0.00 C ATOM 1076 CG ASP A 72 -16.149 3.182 6.925 1.00 0.00 C ATOM 1077 OD1 ASP A 72 -15.623 2.437 7.778 1.00 0.00 O ATOM 1078 OD2 ASP A 72 -17.382 3.245 6.737 1.00 0.00 O ATOM 0 H ASP A 72 -13.932 6.065 5.390 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.357 4.980 7.795 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.813 4.902 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.911 3.482 5.205 1.00 0.00 H new ATOM 1083 N LEU A 73 -12.433 2.892 6.092 1.00 0.00 N ATOM 1084 CA LEU A 73 -11.497 1.783 6.235 1.00 0.00 C ATOM 1085 C LEU A 73 -10.286 2.196 7.066 1.00 0.00 C ATOM 1086 O LEU A 73 -9.812 1.436 7.909 1.00 0.00 O ATOM 1087 CB LEU A 73 -11.042 1.292 4.859 1.00 0.00 C ATOM 1088 CG LEU A 73 -12.137 0.729 3.952 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -11.584 0.440 2.565 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -12.739 -0.529 4.561 1.00 0.00 C ATOM 0 H LEU A 73 -12.543 3.230 5.136 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.010 0.972 6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.559 2.121 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.285 0.521 5.002 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.925 1.476 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.377 0.040 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.201 1.362 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.777 -0.289 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.516 -0.916 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.960 -1.282 4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.172 -0.292 5.533 1.00 0.00 H new ATOM 1102 N ALA A 74 -9.793 3.405 6.823 1.00 0.00 N ATOM 1103 CA ALA A 74 -8.641 3.921 7.551 1.00 0.00 C ATOM 1104 C ALA A 74 -8.902 3.934 9.054 1.00 0.00 C ATOM 1105 O ALA A 74 -8.056 3.517 9.845 1.00 0.00 O ATOM 1106 CB ALA A 74 -8.290 5.319 7.063 1.00 0.00 C ATOM 0 H ALA A 74 -10.174 4.046 6.127 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.796 3.259 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.428 5.692 7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.052 5.284 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.139 5.984 7.223 1.00 0.00 H new ATOM 1112 N LYS A 75 -10.078 4.415 9.441 1.00 0.00 N ATOM 1113 CA LYS A 75 -10.452 4.482 10.849 1.00 0.00 C ATOM 1114 C LYS A 75 -10.365 3.106 11.501 1.00 0.00 C ATOM 1115 O LYS A 75 -9.965 2.981 12.659 1.00 0.00 O ATOM 1116 CB LYS A 75 -11.870 5.038 10.995 1.00 0.00 C ATOM 1117 CG LYS A 75 -11.919 6.550 11.132 1.00 0.00 C ATOM 1118 CD LYS A 75 -11.580 7.240 9.822 1.00 0.00 C ATOM 1119 CE LYS A 75 -10.090 7.525 9.711 1.00 0.00 C ATOM 1120 NZ LYS A 75 -9.795 8.535 8.656 1.00 0.00 N ATOM 0 H LYS A 75 -10.789 4.765 8.799 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.753 5.149 11.354 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.459 4.741 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.340 4.587 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.914 6.855 11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.219 6.869 11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.895 6.613 8.988 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.137 8.174 9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.716 7.882 10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.559 6.600 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.799 8.827 8.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.971 8.120 7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.409 9.364 8.788 1.00 0.00 H new ATOM 1134 N ARG A 76 -10.740 2.075 10.750 1.00 0.00 N ATOM 1135 CA ARG A 76 -10.703 0.708 11.255 1.00 0.00 C ATOM 1136 C ARG A 76 -9.275 0.291 11.591 1.00 0.00 C ATOM 1137 O ARG A 76 -9.046 -0.495 12.511 1.00 0.00 O ATOM 1138 CB ARG A 76 -11.299 -0.255 10.226 1.00 0.00 C ATOM 1139 CG ARG A 76 -11.138 -1.720 10.599 1.00 0.00 C ATOM 1140 CD ARG A 76 -11.390 -2.628 9.406 1.00 0.00 C ATOM 1141 NE ARG A 76 -11.386 -4.039 9.782 1.00 0.00 N ATOM 1142 CZ ARG A 76 -11.196 -5.030 8.918 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -10.994 -4.765 7.635 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -11.206 -6.289 9.337 1.00 0.00 N ATOM 0 H ARG A 76 -11.073 2.161 9.790 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.299 0.668 12.167 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.359 -0.034 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.825 -0.080 9.260 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.132 -1.891 10.982 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.831 -1.971 11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.350 -2.376 8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.626 -2.452 8.649 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.537 -4.277 10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.984 -3.798 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.848 -5.528 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.360 -6.497 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.060 -7.049 8.672 1.00 0.00 H new ATOM 1158 N PHE A 77 -8.316 0.821 10.839 1.00 0.00 N ATOM 1159 CA PHE A 77 -6.910 0.503 11.056 1.00 0.00 C ATOM 1160 C PHE A 77 -6.170 1.691 11.664 1.00 0.00 C ATOM 1161 O PHE A 77 -4.948 1.796 11.558 1.00 0.00 O ATOM 1162 CB PHE A 77 -6.248 0.097 9.737 1.00 0.00 C ATOM 1163 CG PHE A 77 -6.994 -0.977 8.998 1.00 0.00 C ATOM 1164 CD1 PHE A 77 -6.910 -2.300 9.401 1.00 0.00 C ATOM 1165 CD2 PHE A 77 -7.779 -0.664 7.900 1.00 0.00 C ATOM 1166 CE1 PHE A 77 -7.595 -3.290 8.722 1.00 0.00 C ATOM 1167 CE2 PHE A 77 -8.466 -1.650 7.217 1.00 0.00 C ATOM 1168 CZ PHE A 77 -8.375 -2.964 7.630 1.00 0.00 C ATOM 0 H PHE A 77 -8.487 1.473 10.074 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.856 -0.332 11.755 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.163 0.975 9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.235 -0.249 9.940 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.303 -2.561 10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.855 0.363 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -7.520 -4.318 9.045 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.073 -1.393 6.362 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.913 -3.736 7.100 1.00 0.00 H new ATOM 1178 N ASP A 78 -6.921 2.584 12.300 1.00 0.00 N ATOM 1179 CA ASP A 78 -6.338 3.765 12.926 1.00 0.00 C ATOM 1180 C ASP A 78 -5.328 4.431 11.996 1.00 0.00 C ATOM 1181 O ASP A 78 -4.194 4.705 12.388 1.00 0.00 O ATOM 1182 CB ASP A 78 -5.663 3.389 14.246 1.00 0.00 C ATOM 1183 CG ASP A 78 -6.397 2.281 14.975 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -7.612 2.435 15.222 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -5.757 1.259 15.299 1.00 0.00 O ATOM 0 H ASP A 78 -7.934 2.512 12.395 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.142 4.473 13.127 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.638 3.074 14.050 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.609 4.269 14.887 1.00 0.00 H new ATOM 1190 N VAL A 79 -5.748 4.687 10.761 1.00 0.00 N ATOM 1191 CA VAL A 79 -4.881 5.321 9.775 1.00 0.00 C ATOM 1192 C VAL A 79 -5.119 6.825 9.719 1.00 0.00 C ATOM 1193 O VAL A 79 -5.978 7.301 8.976 1.00 0.00 O ATOM 1194 CB VAL A 79 -5.098 4.725 8.371 1.00 0.00 C ATOM 1195 CG1 VAL A 79 -4.167 5.381 7.362 1.00 0.00 C ATOM 1196 CG2 VAL A 79 -4.894 3.217 8.395 1.00 0.00 C ATOM 0 H VAL A 79 -6.683 4.465 10.420 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.854 5.131 10.088 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.125 4.925 8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.335 4.947 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.366 6.452 7.326 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.132 5.215 7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.051 2.813 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.879 2.992 8.722 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.606 2.764 9.085 1.00 0.00 H new ATOM 1206 N SER A 80 -4.353 7.571 10.509 1.00 0.00 N ATOM 1207 CA SER A 80 -4.483 9.022 10.552 1.00 0.00 C ATOM 1208 C SER A 80 -3.172 9.697 10.160 1.00 0.00 C ATOM 1209 O SER A 80 -3.061 10.922 10.180 1.00 0.00 O ATOM 1210 CB SER A 80 -4.906 9.476 11.950 1.00 0.00 C ATOM 1211 OG SER A 80 -6.308 9.362 12.121 1.00 0.00 O ATOM 0 H SER A 80 -3.636 7.194 11.128 1.00 0.00 H new ATOM 0 HA SER A 80 -5.250 9.315 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.395 8.874 12.701 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.600 10.510 12.108 1.00 0.00 H new ATOM 0 HG SER A 80 -6.553 9.657 13.023 1.00 0.00 H new ATOM 1217 N GLY A 81 -2.180 8.887 9.804 1.00 0.00 N ATOM 1218 CA GLY A 81 -0.889 9.422 9.413 1.00 0.00 C ATOM 1219 C GLY A 81 -0.274 8.664 8.253 1.00 0.00 C ATOM 1220 O GLY A 81 0.360 7.626 8.448 1.00 0.00 O ATOM 0 H GLY A 81 -2.247 7.870 9.779 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.002 10.471 9.138 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.211 9.387 10.266 1.00 0.00 H new ATOM 1224 N TYR A 82 -0.462 9.181 7.044 1.00 0.00 N ATOM 1225 CA TYR A 82 0.076 8.543 5.848 1.00 0.00 C ATOM 1226 C TYR A 82 1.494 9.028 5.563 1.00 0.00 C ATOM 1227 O TYR A 82 1.905 10.109 5.985 1.00 0.00 O ATOM 1228 CB TYR A 82 -0.824 8.827 4.645 1.00 0.00 C ATOM 1229 CG TYR A 82 -2.253 9.151 5.020 1.00 0.00 C ATOM 1230 CD1 TYR A 82 -2.929 8.400 5.973 1.00 0.00 C ATOM 1231 CD2 TYR A 82 -2.926 10.209 4.422 1.00 0.00 C ATOM 1232 CE1 TYR A 82 -4.234 8.692 6.318 1.00 0.00 C ATOM 1233 CE2 TYR A 82 -4.231 10.509 4.762 1.00 0.00 C ATOM 1234 CZ TYR A 82 -4.881 9.748 5.710 1.00 0.00 C ATOM 1235 OH TYR A 82 -6.181 10.042 6.052 1.00 0.00 O ATOM 0 H TYR A 82 -0.983 10.040 6.866 1.00 0.00 H new ATOM 0 HA TYR A 82 0.108 7.468 6.023 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.408 9.661 4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -0.818 7.960 3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.425 7.574 6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.420 10.807 3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.745 8.097 7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -4.739 11.335 4.288 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.489 10.814 5.533 1.00 0.00 H new ATOM 1245 N PRO A 83 2.261 8.210 4.828 1.00 0.00 N ATOM 1246 CA PRO A 83 1.784 6.920 4.321 1.00 0.00 C ATOM 1247 C PRO A 83 1.587 5.896 5.434 1.00 0.00 C ATOM 1248 O PRO A 83 2.241 5.962 6.476 1.00 0.00 O ATOM 1249 CB PRO A 83 2.902 6.474 3.376 1.00 0.00 C ATOM 1250 CG PRO A 83 4.123 7.163 3.882 1.00 0.00 C ATOM 1251 CD PRO A 83 3.655 8.480 4.436 1.00 0.00 C ATOM 0 HA PRO A 83 0.810 7.007 3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.024 5.391 3.390 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.686 6.757 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.616 6.569 4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.847 7.312 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.258 8.795 5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.716 9.274 3.691 1.00 0.00 H new ATOM 1259 N THR A 84 0.682 4.949 5.207 1.00 0.00 N ATOM 1260 CA THR A 84 0.399 3.911 6.191 1.00 0.00 C ATOM 1261 C THR A 84 0.164 2.564 5.517 1.00 0.00 C ATOM 1262 O THR A 84 -0.887 2.333 4.919 1.00 0.00 O ATOM 1263 CB THR A 84 -0.833 4.268 7.044 1.00 0.00 C ATOM 1264 OG1 THR A 84 -0.658 5.557 7.642 1.00 0.00 O ATOM 1265 CG2 THR A 84 -1.058 3.226 8.130 1.00 0.00 C ATOM 0 H THR A 84 0.133 4.879 4.350 1.00 0.00 H new ATOM 0 HA THR A 84 1.273 3.842 6.839 1.00 0.00 H new ATOM 0 HB THR A 84 -1.707 4.286 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.299 5.746 7.737 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.933 3.499 8.720 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.219 2.251 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.183 3.181 8.778 1.00 0.00 H new ATOM 1273 N LEU A 85 1.148 1.678 5.619 1.00 0.00 N ATOM 1274 CA LEU A 85 1.048 0.352 5.019 1.00 0.00 C ATOM 1275 C LEU A 85 0.633 -0.685 6.058 1.00 0.00 C ATOM 1276 O LEU A 85 0.890 -0.523 7.251 1.00 0.00 O ATOM 1277 CB LEU A 85 2.384 -0.047 4.390 1.00 0.00 C ATOM 1278 CG LEU A 85 2.957 0.925 3.358 1.00 0.00 C ATOM 1279 CD1 LEU A 85 3.843 1.960 4.035 1.00 0.00 C ATOM 1280 CD2 LEU A 85 3.735 0.172 2.289 1.00 0.00 C ATOM 0 H LEU A 85 2.024 1.853 6.111 1.00 0.00 H new ATOM 0 HA LEU A 85 0.284 0.388 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.116 -0.171 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.263 -1.020 3.915 1.00 0.00 H new ATOM 0 HG LEU A 85 2.128 1.444 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.242 2.643 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.256 2.521 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.666 1.458 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.135 0.880 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.556 -0.374 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.072 -0.530 1.783 1.00 0.00 H new ATOM 1292 N LYS A 86 -0.009 -1.753 5.596 1.00 0.00 N ATOM 1293 CA LYS A 86 -0.457 -2.820 6.483 1.00 0.00 C ATOM 1294 C LYS A 86 -0.648 -4.123 5.714 1.00 0.00 C ATOM 1295 O LYS A 86 -1.254 -4.140 4.643 1.00 0.00 O ATOM 1296 CB LYS A 86 -1.767 -2.424 7.169 1.00 0.00 C ATOM 1297 CG LYS A 86 -1.587 -1.411 8.287 1.00 0.00 C ATOM 1298 CD LYS A 86 -2.623 -1.599 9.382 1.00 0.00 C ATOM 1299 CE LYS A 86 -2.676 -0.396 10.311 1.00 0.00 C ATOM 1300 NZ LYS A 86 -3.340 -0.722 11.603 1.00 0.00 N ATOM 0 H LYS A 86 -0.231 -1.902 4.612 1.00 0.00 H new ATOM 0 HA LYS A 86 0.311 -2.975 7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.448 -2.013 6.424 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.240 -3.319 7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.587 -1.509 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.664 -0.402 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.604 -1.757 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.388 -2.494 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.664 -0.040 10.503 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.212 0.417 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.010 0.035 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.853 -1.622 11.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.622 -0.806 12.351 1.00 0.00 H new ATOM 1314 N ILE A 87 -0.128 -5.213 6.268 1.00 0.00 N ATOM 1315 CA ILE A 87 -0.243 -6.521 5.635 1.00 0.00 C ATOM 1316 C ILE A 87 -1.568 -7.188 5.988 1.00 0.00 C ATOM 1317 O ILE A 87 -2.101 -6.994 7.081 1.00 0.00 O ATOM 1318 CB ILE A 87 0.913 -7.451 6.049 1.00 0.00 C ATOM 1319 CG1 ILE A 87 2.241 -6.922 5.504 1.00 0.00 C ATOM 1320 CG2 ILE A 87 0.657 -8.866 5.553 1.00 0.00 C ATOM 1321 CD1 ILE A 87 3.452 -7.627 6.076 1.00 0.00 C ATOM 0 H ILE A 87 0.377 -5.216 7.154 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.197 -6.355 4.559 1.00 0.00 H new ATOM 0 HB ILE A 87 0.971 -7.473 7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.247 -7.028 4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.315 -5.856 5.721 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.482 -9.512 5.853 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.272 -9.240 5.984 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.577 -8.862 4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.358 -7.201 5.645 1.00 0.00 H new ATOM 0 HD12 ILE A 87 3.470 -7.499 7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.401 -8.689 5.837 1.00 0.00 H new ATOM 1333 N PHE A 88 -2.095 -7.976 5.057 1.00 0.00 N ATOM 1334 CA PHE A 88 -3.358 -8.673 5.269 1.00 0.00 C ATOM 1335 C PHE A 88 -3.249 -10.136 4.850 1.00 0.00 C ATOM 1336 O PHE A 88 -2.597 -10.462 3.858 1.00 0.00 O ATOM 1337 CB PHE A 88 -4.480 -7.988 4.487 1.00 0.00 C ATOM 1338 CG PHE A 88 -4.910 -6.676 5.078 1.00 0.00 C ATOM 1339 CD1 PHE A 88 -4.053 -5.588 5.078 1.00 0.00 C ATOM 1340 CD2 PHE A 88 -6.171 -6.531 5.633 1.00 0.00 C ATOM 1341 CE1 PHE A 88 -4.445 -4.379 5.622 1.00 0.00 C ATOM 1342 CE2 PHE A 88 -6.569 -5.325 6.179 1.00 0.00 C ATOM 1343 CZ PHE A 88 -5.705 -4.247 6.172 1.00 0.00 C ATOM 0 H PHE A 88 -1.666 -8.148 4.147 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.591 -8.635 6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -4.149 -7.824 3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.340 -8.656 4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.067 -5.685 4.648 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.851 -7.370 5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.767 -3.539 5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.554 -5.226 6.610 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.014 -3.303 6.596 1.00 0.00 H new ATOM 1353 N ARG A 89 -3.892 -11.013 5.614 1.00 0.00 N ATOM 1354 CA ARG A 89 -3.866 -12.442 5.324 1.00 0.00 C ATOM 1355 C ARG A 89 -5.269 -13.037 5.400 1.00 0.00 C ATOM 1356 O ARG A 89 -5.775 -13.326 6.485 1.00 0.00 O ATOM 1357 CB ARG A 89 -2.939 -13.166 6.302 1.00 0.00 C ATOM 1358 CG ARG A 89 -1.521 -12.619 6.316 1.00 0.00 C ATOM 1359 CD ARG A 89 -0.513 -13.693 6.693 1.00 0.00 C ATOM 1360 NE ARG A 89 -0.506 -14.796 5.737 1.00 0.00 N ATOM 1361 CZ ARG A 89 0.486 -15.675 5.636 1.00 0.00 C ATOM 1362 NH1 ARG A 89 1.544 -15.579 6.428 1.00 0.00 N ATOM 1363 NH2 ARG A 89 0.419 -16.652 4.740 1.00 0.00 N ATOM 0 H ARG A 89 -4.437 -10.759 6.438 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.488 -12.575 4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.357 -13.094 7.306 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.908 -14.225 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.275 -12.217 5.333 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.456 -11.793 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.483 -13.253 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.746 -14.076 7.687 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.306 -14.898 5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.599 -14.829 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.304 -16.255 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.394 -16.728 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 89 1.180 -17.326 4.663 1.00 0.00 H new ATOM 1377 N LYS A 90 -5.893 -13.218 4.241 1.00 0.00 N ATOM 1378 CA LYS A 90 -7.237 -13.780 4.174 1.00 0.00 C ATOM 1379 C LYS A 90 -8.181 -13.043 5.119 1.00 0.00 C ATOM 1380 O LYS A 90 -9.088 -13.642 5.697 1.00 0.00 O ATOM 1381 CB LYS A 90 -7.207 -15.269 4.524 1.00 0.00 C ATOM 1382 CG LYS A 90 -6.624 -16.140 3.426 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.504 -16.141 2.187 1.00 0.00 C ATOM 1384 CE LYS A 90 -7.318 -17.412 1.372 1.00 0.00 C ATOM 1385 NZ LYS A 90 -8.109 -17.382 0.110 1.00 0.00 N ATOM 0 H LYS A 90 -5.489 -12.983 3.334 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.605 -13.661 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.624 -15.408 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.222 -15.603 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.628 -15.781 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.509 -17.160 3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.549 -16.046 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.267 -15.274 1.570 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.262 -17.541 1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.618 -18.273 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.956 -18.265 -0.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.119 -17.285 0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.805 -16.575 -0.471 1.00 0.00 H new ATOM 1399 N GLY A 91 -7.963 -11.740 5.270 1.00 0.00 N ATOM 1400 CA GLY A 91 -8.804 -10.944 6.145 1.00 0.00 C ATOM 1401 C GLY A 91 -8.190 -10.744 7.516 1.00 0.00 C ATOM 1402 O GLY A 91 -8.903 -10.616 8.511 1.00 0.00 O ATOM 0 H GLY A 91 -7.219 -11.222 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.983 -9.972 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.774 -11.430 6.252 1.00 0.00 H new ATOM 1406 N ARG A 92 -6.862 -10.719 7.570 1.00 0.00 N ATOM 1407 CA ARG A 92 -6.151 -10.536 8.829 1.00 0.00 C ATOM 1408 C ARG A 92 -5.064 -9.474 8.692 1.00 0.00 C ATOM 1409 O ARG A 92 -3.970 -9.732 8.190 1.00 0.00 O ATOM 1410 CB ARG A 92 -5.533 -11.858 9.287 1.00 0.00 C ATOM 1411 CG ARG A 92 -6.500 -12.754 10.043 1.00 0.00 C ATOM 1412 CD ARG A 92 -6.028 -14.200 10.054 1.00 0.00 C ATOM 1413 NE ARG A 92 -7.041 -15.102 10.595 1.00 0.00 N ATOM 1414 CZ ARG A 92 -7.398 -15.124 11.874 1.00 0.00 C ATOM 1415 NH1 ARG A 92 -6.829 -14.296 12.739 1.00 0.00 N ATOM 1416 NH2 ARG A 92 -8.328 -15.974 12.290 1.00 0.00 N ATOM 0 H ARG A 92 -6.257 -10.823 6.756 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.869 -10.200 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.159 -12.395 8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.674 -11.646 9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.604 -12.396 11.067 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.487 -12.696 9.583 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.775 -14.506 9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.117 -14.280 10.648 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.500 -15.751 9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -6.115 -13.640 12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.105 -14.315 13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.769 -16.611 11.627 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.601 -15.990 13.273 1.00 0.00 H new ATOM 1430 N PRO A 93 -5.371 -8.251 9.147 1.00 0.00 N ATOM 1431 CA PRO A 93 -4.434 -7.125 9.086 1.00 0.00 C ATOM 1432 C PRO A 93 -3.261 -7.295 10.045 1.00 0.00 C ATOM 1433 O PRO A 93 -3.401 -7.888 11.114 1.00 0.00 O ATOM 1434 CB PRO A 93 -5.292 -5.926 9.497 1.00 0.00 C ATOM 1435 CG PRO A 93 -6.382 -6.508 10.330 1.00 0.00 C ATOM 1436 CD PRO A 93 -6.656 -7.872 9.758 1.00 0.00 C ATOM 0 HA PRO A 93 -3.982 -7.024 8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -4.710 -5.197 10.060 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.693 -5.409 8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.080 -6.576 11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.275 -5.884 10.296 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.957 -8.579 10.531 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.459 -7.845 9.021 1.00 0.00 H new ATOM 1444 N PHE A 94 -2.103 -6.770 9.655 1.00 0.00 N ATOM 1445 CA PHE A 94 -0.905 -6.864 10.481 1.00 0.00 C ATOM 1446 C PHE A 94 -0.029 -5.627 10.310 1.00 0.00 C ATOM 1447 O PHE A 94 0.449 -5.338 9.213 1.00 0.00 O ATOM 1448 CB PHE A 94 -0.109 -8.120 10.120 1.00 0.00 C ATOM 1449 CG PHE A 94 -0.841 -9.399 10.413 1.00 0.00 C ATOM 1450 CD1 PHE A 94 -0.763 -9.985 11.666 1.00 0.00 C ATOM 1451 CD2 PHE A 94 -1.607 -10.013 9.437 1.00 0.00 C ATOM 1452 CE1 PHE A 94 -1.435 -11.162 11.939 1.00 0.00 C ATOM 1453 CE2 PHE A 94 -2.282 -11.190 9.703 1.00 0.00 C ATOM 1454 CZ PHE A 94 -2.196 -11.764 10.956 1.00 0.00 C ATOM 0 H PHE A 94 -1.970 -6.276 8.773 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.216 -6.926 11.524 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.142 -8.089 9.060 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.832 -8.115 10.670 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.171 -9.517 12.438 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -1.678 -9.567 8.456 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.365 -11.610 12.919 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.875 -11.660 8.932 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.723 -12.683 11.167 1.00 0.00 H new ATOM 1464 N ASP A 95 0.177 -4.900 11.403 1.00 0.00 N ATOM 1465 CA ASP A 95 0.996 -3.694 11.376 1.00 0.00 C ATOM 1466 C ASP A 95 2.248 -3.906 10.531 1.00 0.00 C ATOM 1467 O ASP A 95 3.142 -4.665 10.908 1.00 0.00 O ATOM 1468 CB ASP A 95 1.387 -3.285 12.797 1.00 0.00 C ATOM 1469 CG ASP A 95 1.681 -4.480 13.683 1.00 0.00 C ATOM 1470 OD1 ASP A 95 2.294 -5.449 13.188 1.00 0.00 O ATOM 1471 OD2 ASP A 95 1.299 -4.445 14.871 1.00 0.00 O ATOM 0 H ASP A 95 -0.212 -5.125 12.319 1.00 0.00 H new ATOM 0 HA ASP A 95 0.407 -2.895 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.265 -2.641 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.581 -2.699 13.238 1.00 0.00 H new ATOM 1476 N TYR A 96 2.306 -3.231 9.388 1.00 0.00 N ATOM 1477 CA TYR A 96 3.447 -3.349 8.489 1.00 0.00 C ATOM 1478 C TYR A 96 4.641 -2.558 9.017 1.00 0.00 C ATOM 1479 O TYR A 96 4.626 -1.329 9.033 1.00 0.00 O ATOM 1480 CB TYR A 96 3.073 -2.856 7.090 1.00 0.00 C ATOM 1481 CG TYR A 96 4.253 -2.750 6.150 1.00 0.00 C ATOM 1482 CD1 TYR A 96 4.658 -3.838 5.387 1.00 0.00 C ATOM 1483 CD2 TYR A 96 4.962 -1.562 6.025 1.00 0.00 C ATOM 1484 CE1 TYR A 96 5.736 -3.747 4.527 1.00 0.00 C ATOM 1485 CE2 TYR A 96 6.040 -1.461 5.166 1.00 0.00 C ATOM 1486 CZ TYR A 96 6.423 -2.556 4.420 1.00 0.00 C ATOM 1487 OH TYR A 96 7.497 -2.459 3.565 1.00 0.00 O ATOM 0 H TYR A 96 1.576 -2.597 9.063 1.00 0.00 H new ATOM 0 HA TYR A 96 3.727 -4.401 8.434 1.00 0.00 H new ATOM 0 HB2 TYR A 96 2.336 -3.534 6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.597 -1.879 7.173 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.121 -4.772 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.666 -0.703 6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.039 -4.603 3.942 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.580 -0.530 5.079 1.00 0.00 H new ATOM 0 HH TYR A 96 8.019 -1.659 3.785 1.00 0.00 H new ATOM 1497 N ASN A 97 5.674 -3.276 9.447 1.00 0.00 N ATOM 1498 CA ASN A 97 6.876 -2.643 9.975 1.00 0.00 C ATOM 1499 C ASN A 97 8.098 -3.015 9.141 1.00 0.00 C ATOM 1500 O ASN A 97 8.501 -4.177 9.094 1.00 0.00 O ATOM 1501 CB ASN A 97 7.095 -3.054 11.433 1.00 0.00 C ATOM 1502 CG ASN A 97 6.104 -2.397 12.374 1.00 0.00 C ATOM 1503 OD1 ASN A 97 5.732 -1.238 12.191 1.00 0.00 O ATOM 1504 ND2 ASN A 97 5.673 -3.136 13.389 1.00 0.00 N ATOM 0 H ASN A 97 5.702 -4.296 9.440 1.00 0.00 H new ATOM 0 HA ASN A 97 6.740 -1.563 9.925 1.00 0.00 H new ATOM 0 HB2 ASN A 97 7.010 -4.137 11.519 1.00 0.00 H new ATOM 0 HB3 ASN A 97 8.108 -2.789 11.734 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.006 -2.747 14.056 1.00 0.00 H new ATOM 0 HD22 ASN A 97 6.008 -4.093 13.502 1.00 0.00 H new ATOM 1511 N GLY A 98 8.686 -2.020 8.484 1.00 0.00 N ATOM 1512 CA GLY A 98 9.856 -2.262 7.661 1.00 0.00 C ATOM 1513 C GLY A 98 10.220 -1.066 6.804 1.00 0.00 C ATOM 1514 O GLY A 98 9.782 0.058 7.051 1.00 0.00 O ATOM 0 H GLY A 98 8.372 -1.050 8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.700 -2.516 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.672 -3.123 7.018 1.00 0.00 H new ATOM 1518 N PRO A 99 11.041 -1.302 5.770 1.00 0.00 N ATOM 1519 CA PRO A 99 11.483 -0.248 4.853 1.00 0.00 C ATOM 1520 C PRO A 99 10.351 0.260 3.965 1.00 0.00 C ATOM 1521 O PRO A 99 9.509 -0.516 3.513 1.00 0.00 O ATOM 1522 CB PRO A 99 12.556 -0.939 4.008 1.00 0.00 C ATOM 1523 CG PRO A 99 12.205 -2.385 4.059 1.00 0.00 C ATOM 1524 CD PRO A 99 11.601 -2.618 5.416 1.00 0.00 C ATOM 0 HA PRO A 99 11.843 0.632 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.553 -0.567 2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.553 -0.759 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.500 -2.643 3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.089 -3.006 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.830 -3.388 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.349 -2.944 6.138 1.00 0.00 H new ATOM 1532 N ARG A 100 10.338 1.566 3.720 1.00 0.00 N ATOM 1533 CA ARG A 100 9.310 2.177 2.887 1.00 0.00 C ATOM 1534 C ARG A 100 9.840 2.453 1.483 1.00 0.00 C ATOM 1535 O ARG A 100 9.422 3.407 0.828 1.00 0.00 O ATOM 1536 CB ARG A 100 8.815 3.477 3.521 1.00 0.00 C ATOM 1537 CG ARG A 100 7.776 3.267 4.611 1.00 0.00 C ATOM 1538 CD ARG A 100 6.814 4.441 4.698 1.00 0.00 C ATOM 1539 NE ARG A 100 5.924 4.336 5.851 1.00 0.00 N ATOM 1540 CZ ARG A 100 6.309 4.574 7.100 1.00 0.00 C ATOM 1541 NH1 ARG A 100 7.560 4.930 7.356 1.00 0.00 N ATOM 1542 NH2 ARG A 100 5.440 4.457 8.097 1.00 0.00 N ATOM 0 H ARG A 100 11.028 2.221 4.087 1.00 0.00 H new ATOM 0 HA ARG A 100 8.477 1.478 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.666 4.014 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 100 8.390 4.112 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 100 7.218 2.352 4.412 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.276 3.133 5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.381 5.370 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 100 6.220 4.491 3.785 1.00 0.00 H new ATOM 0 HE ARG A 100 4.954 4.065 5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.230 5.022 6.593 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.852 5.112 8.316 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.476 4.184 7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.736 4.640 9.056 1.00 0.00 H new ATOM 1556 N GLU A 101 10.764 1.611 1.028 1.00 0.00 N ATOM 1557 CA GLU A 101 11.352 1.767 -0.297 1.00 0.00 C ATOM 1558 C GLU A 101 10.983 0.591 -1.197 1.00 0.00 C ATOM 1559 O GLU A 101 10.609 -0.480 -0.718 1.00 0.00 O ATOM 1560 CB GLU A 101 12.874 1.886 -0.193 1.00 0.00 C ATOM 1561 CG GLU A 101 13.571 0.562 0.071 1.00 0.00 C ATOM 1562 CD GLU A 101 14.876 0.730 0.824 1.00 0.00 C ATOM 1563 OE1 GLU A 101 14.837 1.182 1.987 1.00 0.00 O ATOM 1564 OE2 GLU A 101 15.938 0.409 0.249 1.00 0.00 O ATOM 0 H GLU A 101 11.121 0.815 1.557 1.00 0.00 H new ATOM 0 HA GLU A 101 10.953 2.680 -0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 101 13.261 2.312 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.122 2.583 0.607 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.907 -0.086 0.643 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.765 0.062 -0.878 1.00 0.00 H new ATOM 1571 N LYS A 102 11.090 0.799 -2.505 1.00 0.00 N ATOM 1572 CA LYS A 102 10.769 -0.242 -3.474 1.00 0.00 C ATOM 1573 C LYS A 102 11.349 -1.585 -3.043 1.00 0.00 C ATOM 1574 O LYS A 102 10.611 -2.510 -2.701 1.00 0.00 O ATOM 1575 CB LYS A 102 11.305 0.137 -4.857 1.00 0.00 C ATOM 1576 CG LYS A 102 11.118 -0.951 -5.901 1.00 0.00 C ATOM 1577 CD LYS A 102 11.901 -0.648 -7.167 1.00 0.00 C ATOM 1578 CE LYS A 102 12.175 -1.912 -7.968 1.00 0.00 C ATOM 1579 NZ LYS A 102 12.866 -1.615 -9.254 1.00 0.00 N ATOM 0 H LYS A 102 11.397 1.680 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 102 9.684 -0.334 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.804 1.044 -5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 102 12.366 0.371 -4.774 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.441 -1.908 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.059 -1.048 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.343 0.059 -7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.845 -0.169 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.787 -2.592 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.235 -2.424 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.171 -2.505 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.213 -1.116 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.697 -1.017 -9.072 1.00 0.00 H new ATOM 1593 N TYR A 103 12.673 -1.685 -3.059 1.00 0.00 N ATOM 1594 CA TYR A 103 13.352 -2.915 -2.669 1.00 0.00 C ATOM 1595 C TYR A 103 12.863 -3.400 -1.308 1.00 0.00 C ATOM 1596 O TYR A 103 12.260 -4.466 -1.195 1.00 0.00 O ATOM 1597 CB TYR A 103 14.865 -2.698 -2.633 1.00 0.00 C ATOM 1598 CG TYR A 103 15.409 -2.018 -3.869 1.00 0.00 C ATOM 1599 CD1 TYR A 103 15.035 -2.438 -5.139 1.00 0.00 C ATOM 1600 CD2 TYR A 103 16.296 -0.953 -3.766 1.00 0.00 C ATOM 1601 CE1 TYR A 103 15.530 -1.819 -6.271 1.00 0.00 C ATOM 1602 CE2 TYR A 103 16.795 -0.328 -4.892 1.00 0.00 C ATOM 1603 CZ TYR A 103 16.410 -0.765 -6.142 1.00 0.00 C ATOM 1604 OH TYR A 103 16.904 -0.145 -7.267 1.00 0.00 O ATOM 0 H TYR A 103 13.298 -0.929 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 103 13.119 -3.679 -3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 103 15.117 -2.098 -1.758 1.00 0.00 H new ATOM 0 HB3 TYR A 103 15.359 -3.662 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 103 14.345 -3.263 -5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 103 16.600 -0.608 -2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 103 15.229 -2.159 -7.251 1.00 0.00 H new ATOM 0 HE2 TYR A 103 17.483 0.499 -4.794 1.00 0.00 H new ATOM 0 HH TYR A 103 17.510 0.578 -7.002 1.00 0.00 H new ATOM 1614 N GLY A 104 13.129 -2.606 -0.274 1.00 0.00 N ATOM 1615 CA GLY A 104 12.710 -2.969 1.067 1.00 0.00 C ATOM 1616 C GLY A 104 11.344 -3.627 1.090 1.00 0.00 C ATOM 1617 O GLY A 104 11.227 -4.817 1.383 1.00 0.00 O ATOM 0 H GLY A 104 13.627 -1.718 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 104 13.444 -3.647 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.690 -2.076 1.692 1.00 0.00 H new ATOM 1621 N ILE A 105 10.311 -2.851 0.781 1.00 0.00 N ATOM 1622 CA ILE A 105 8.947 -3.366 0.768 1.00 0.00 C ATOM 1623 C ILE A 105 8.901 -4.787 0.217 1.00 0.00 C ATOM 1624 O ILE A 105 8.253 -5.665 0.786 1.00 0.00 O ATOM 1625 CB ILE A 105 8.016 -2.471 -0.071 1.00 0.00 C ATOM 1626 CG1 ILE A 105 7.950 -1.064 0.526 1.00 0.00 C ATOM 1627 CG2 ILE A 105 6.625 -3.084 -0.152 1.00 0.00 C ATOM 1628 CD1 ILE A 105 7.530 -0.005 -0.469 1.00 0.00 C ATOM 0 H ILE A 105 10.392 -1.864 0.536 1.00 0.00 H new ATOM 0 HA ILE A 105 8.601 -3.369 1.801 1.00 0.00 H new ATOM 0 HB ILE A 105 8.420 -2.398 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 105 7.249 -1.065 1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 105 8.928 -0.803 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 105 5.978 -2.440 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.687 -4.067 -0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 105 6.212 -3.184 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 105 7.505 0.967 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 105 8.243 0.024 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.539 -0.242 -0.856 1.00 0.00 H new ATOM 1640 N VAL A 106 9.596 -5.007 -0.895 1.00 0.00 N ATOM 1641 CA VAL A 106 9.638 -6.323 -1.523 1.00 0.00 C ATOM 1642 C VAL A 106 10.324 -7.341 -0.619 1.00 0.00 C ATOM 1643 O VAL A 106 9.726 -8.344 -0.231 1.00 0.00 O ATOM 1644 CB VAL A 106 10.372 -6.276 -2.876 1.00 0.00 C ATOM 1645 CG1 VAL A 106 10.630 -7.683 -3.392 1.00 0.00 C ATOM 1646 CG2 VAL A 106 9.573 -5.466 -3.887 1.00 0.00 C ATOM 0 H VAL A 106 10.138 -4.291 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 106 8.605 -6.628 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 106 11.335 -5.786 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.149 -7.630 -4.349 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.245 -8.226 -2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.681 -8.202 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 106 10.106 -5.443 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.595 -5.926 -4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 106 9.445 -4.448 -3.518 1.00 0.00 H new ATOM 1656 N ASP A 107 11.583 -7.076 -0.289 1.00 0.00 N ATOM 1657 CA ASP A 107 12.352 -7.968 0.571 1.00 0.00 C ATOM 1658 C ASP A 107 11.550 -8.355 1.810 1.00 0.00 C ATOM 1659 O ASP A 107 11.564 -9.510 2.235 1.00 0.00 O ATOM 1660 CB ASP A 107 13.666 -7.305 0.986 1.00 0.00 C ATOM 1661 CG ASP A 107 14.572 -8.245 1.757 1.00 0.00 C ATOM 1662 OD1 ASP A 107 14.761 -9.392 1.301 1.00 0.00 O ATOM 1663 OD2 ASP A 107 15.090 -7.835 2.816 1.00 0.00 O ATOM 0 H ASP A 107 12.093 -6.251 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 107 12.574 -8.874 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 107 14.187 -6.951 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.450 -6.430 1.599 1.00 0.00 H new ATOM 1668 N TYR A 108 10.853 -7.381 2.384 1.00 0.00 N ATOM 1669 CA TYR A 108 10.048 -7.618 3.576 1.00 0.00 C ATOM 1670 C TYR A 108 8.883 -8.554 3.269 1.00 0.00 C ATOM 1671 O TYR A 108 8.820 -9.673 3.778 1.00 0.00 O ATOM 1672 CB TYR A 108 9.520 -6.294 4.132 1.00 0.00 C ATOM 1673 CG TYR A 108 8.825 -6.433 5.468 1.00 0.00 C ATOM 1674 CD1 TYR A 108 7.471 -6.740 5.540 1.00 0.00 C ATOM 1675 CD2 TYR A 108 9.520 -6.256 6.657 1.00 0.00 C ATOM 1676 CE1 TYR A 108 6.831 -6.867 6.757 1.00 0.00 C ATOM 1677 CE2 TYR A 108 8.889 -6.382 7.879 1.00 0.00 C ATOM 1678 CZ TYR A 108 7.545 -6.688 7.924 1.00 0.00 C ATOM 1679 OH TYR A 108 6.912 -6.813 9.140 1.00 0.00 O ATOM 0 H TYR A 108 10.829 -6.420 2.043 1.00 0.00 H new ATOM 0 HA TYR A 108 10.683 -8.091 4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 108 10.351 -5.596 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 108 8.825 -5.859 3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.910 -6.882 4.628 1.00 0.00 H new ATOM 0 HD2 TYR A 108 10.572 -6.016 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 108 5.778 -7.105 6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 108 9.445 -6.242 8.794 1.00 0.00 H new ATOM 0 HH TYR A 108 7.556 -6.657 9.862 1.00 0.00 H new ATOM 1689 N MET A 109 7.962 -8.088 2.432 1.00 0.00 N ATOM 1690 CA MET A 109 6.800 -8.883 2.055 1.00 0.00 C ATOM 1691 C MET A 109 7.198 -10.330 1.777 1.00 0.00 C ATOM 1692 O MET A 109 6.407 -11.251 1.983 1.00 0.00 O ATOM 1693 CB MET A 109 6.123 -8.283 0.821 1.00 0.00 C ATOM 1694 CG MET A 109 5.425 -6.960 1.094 1.00 0.00 C ATOM 1695 SD MET A 109 4.187 -7.085 2.399 1.00 0.00 S ATOM 1696 CE MET A 109 3.211 -8.465 1.809 1.00 0.00 C ATOM 0 H MET A 109 7.998 -7.164 2.002 1.00 0.00 H new ATOM 0 HA MET A 109 6.097 -8.871 2.888 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.871 -8.136 0.042 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.395 -8.996 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.168 -6.213 1.373 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.948 -6.609 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.371 -8.631 2.484 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.836 -8.244 0.810 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.831 -9.361 1.774 1.00 0.00 H new ATOM 1706 N ILE A 110 8.426 -10.521 1.310 1.00 0.00 N ATOM 1707 CA ILE A 110 8.928 -11.856 1.006 1.00 0.00 C ATOM 1708 C ILE A 110 9.084 -12.687 2.275 1.00 0.00 C ATOM 1709 O ILE A 110 8.526 -13.777 2.386 1.00 0.00 O ATOM 1710 CB ILE A 110 10.282 -11.795 0.275 1.00 0.00 C ATOM 1711 CG1 ILE A 110 10.095 -11.270 -1.150 1.00 0.00 C ATOM 1712 CG2 ILE A 110 10.937 -13.168 0.258 1.00 0.00 C ATOM 1713 CD1 ILE A 110 11.301 -10.531 -1.685 1.00 0.00 C ATOM 0 H ILE A 110 9.092 -9.769 1.134 1.00 0.00 H new ATOM 0 HA ILE A 110 8.194 -12.329 0.354 1.00 0.00 H new ATOM 0 HB ILE A 110 10.937 -11.108 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 110 9.870 -12.107 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.232 -10.605 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 110 11.893 -13.109 -0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.101 -13.506 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.287 -13.875 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE A 110 11.097 -10.188 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 110 11.514 -9.673 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 110 12.162 -11.199 -1.695 1.00 0.00 H new ATOM 1725 N GLU A 111 9.846 -12.162 3.229 1.00 0.00 N ATOM 1726 CA GLU A 111 10.075 -12.856 4.491 1.00 0.00 C ATOM 1727 C GLU A 111 8.755 -13.140 5.202 1.00 0.00 C ATOM 1728 O GLU A 111 8.638 -14.111 5.949 1.00 0.00 O ATOM 1729 CB GLU A 111 10.986 -12.026 5.397 1.00 0.00 C ATOM 1730 CG GLU A 111 10.307 -10.801 5.987 1.00 0.00 C ATOM 1731 CD GLU A 111 10.898 -10.392 7.322 1.00 0.00 C ATOM 1732 OE1 GLU A 111 11.091 -11.278 8.181 1.00 0.00 O ATOM 1733 OE2 GLU A 111 11.167 -9.187 7.509 1.00 0.00 O ATOM 0 H GLU A 111 10.315 -11.259 3.152 1.00 0.00 H new ATOM 0 HA GLU A 111 10.562 -13.806 4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 111 11.348 -12.656 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.859 -11.708 4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.392 -9.970 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.244 -11.005 6.112 1.00 0.00 H new ATOM 1740 N GLN A 112 7.765 -12.285 4.964 1.00 0.00 N ATOM 1741 CA GLN A 112 6.454 -12.444 5.583 1.00 0.00 C ATOM 1742 C GLN A 112 5.729 -13.660 5.018 1.00 0.00 C ATOM 1743 O GLN A 112 5.160 -14.458 5.763 1.00 0.00 O ATOM 1744 CB GLN A 112 5.610 -11.186 5.368 1.00 0.00 C ATOM 1745 CG GLN A 112 6.124 -9.972 6.125 1.00 0.00 C ATOM 1746 CD GLN A 112 6.169 -10.195 7.624 1.00 0.00 C ATOM 1747 OE1 GLN A 112 7.365 -10.423 8.153 1.00 0.00 O flip ATOM 1748 NE2 GLN A 112 5.140 -10.162 8.299 1.00 0.00 N flip ATOM 0 H GLN A 112 7.846 -11.476 4.348 1.00 0.00 H new ATOM 0 HA GLN A 112 6.601 -12.597 6.652 1.00 0.00 H new ATOM 0 HB2 GLN A 112 5.582 -10.955 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.585 -11.389 5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 112 7.123 -9.723 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.485 -9.116 5.908 1.00 0.00 H new ATOM 0 HE21 GLN A 112 4.241 -9.983 7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 112 5.186 -10.313 9.307 1.00 0.00 H new ATOM 1757 N SER A 113 5.753 -13.796 3.696 1.00 0.00 N ATOM 1758 CA SER A 113 5.094 -14.913 3.030 1.00 0.00 C ATOM 1759 C SER A 113 5.506 -16.240 3.659 1.00 0.00 C ATOM 1760 O SER A 113 4.710 -17.175 3.741 1.00 0.00 O ATOM 1761 CB SER A 113 5.433 -14.917 1.538 1.00 0.00 C ATOM 1762 OG SER A 113 6.787 -15.274 1.323 1.00 0.00 O ATOM 0 H SER A 113 6.222 -13.146 3.065 1.00 0.00 H new ATOM 0 HA SER A 113 4.018 -14.792 3.151 1.00 0.00 H new ATOM 0 HB2 SER A 113 4.782 -15.618 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 113 5.243 -13.930 1.116 1.00 0.00 H new ATOM 0 HG SER A 113 7.345 -14.878 2.024 1.00 0.00 H new