USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 734 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 16 THR OG1 : rot 50:sc= 0.201 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= -0.183 USER MOD Set 2.1: A 37 THR OG1 : rot 120:sc=-0.00267 USER MOD Set 2.2: A 69 THR OG1 : rot -67:sc= 0.494 USER MOD Set 3.1: A 12 MET CE :methyl -170:sc= -0.0357 (180deg=-0.21) USER MOD Set 3.2: A 71 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0914) USER MOD Single : A 13 TYR OH : rot 156:sc= 1.19 USER MOD Single : A 19 GLN : amide:sc= 1.04 K(o=1,f=-0.69) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0842 USER MOD Single : A 25 SER OG : rot 96:sc= 1.24 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0244 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -130:sc= 1.31 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 132:sc= 1.21 (180deg=0.0615) USER MOD Single : A 67 SER OG : rot 155:sc= 1.24 USER MOD Single : A 68 THR OG1 : rot 100:sc= 0.366 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -133:sc= 0 (180deg=-0.108) USER MOD Single : A 94 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.036) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0114) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -164:sc= -0.0592 (180deg=-0.367) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot -23:sc= 0.0081 USER MOD Single : A 128 TYR OH : rot 62:sc= 0.959 USER MOD Single : A 129 ASN : amide:sc= 0.909 K(o=0.91,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 109 N GLY A 10 -19.206 -1.970 -1.215 1.00 0.00 N ATOM 110 CA GLY A 10 -18.094 -1.343 -0.521 1.00 0.00 C ATOM 111 C GLY A 10 -18.238 -1.406 0.998 1.00 0.00 C ATOM 112 O GLY A 10 -19.337 -1.624 1.520 1.00 0.00 O ATOM 0 HA2 GLY A 10 -17.165 -1.832 -0.815 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -18.018 -0.301 -0.832 1.00 0.00 H new ATOM 116 N ALA A 11 -17.147 -1.155 1.722 1.00 0.00 N ATOM 117 CA ALA A 11 -17.041 -1.175 3.182 1.00 0.00 C ATOM 118 C ALA A 11 -16.086 -0.066 3.641 1.00 0.00 C ATOM 119 O ALA A 11 -15.585 0.704 2.827 1.00 0.00 O ATOM 120 CB ALA A 11 -16.567 -2.554 3.674 1.00 0.00 C ATOM 0 H ALA A 11 -16.260 -0.918 1.278 1.00 0.00 H new ATOM 0 HA ALA A 11 -18.024 -0.992 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -16.495 -2.547 4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -17.281 -3.317 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -15.589 -2.776 3.247 1.00 0.00 H new ATOM 126 N MET A 12 -15.858 0.051 4.951 1.00 0.00 N ATOM 127 CA MET A 12 -14.764 0.862 5.491 1.00 0.00 C ATOM 128 C MET A 12 -13.462 0.074 5.365 1.00 0.00 C ATOM 129 O MET A 12 -13.490 -1.165 5.400 1.00 0.00 O ATOM 130 CB MET A 12 -15.017 1.178 6.972 1.00 0.00 C ATOM 131 CG MET A 12 -16.222 2.105 7.137 1.00 0.00 C ATOM 132 SD MET A 12 -16.741 2.503 8.828 1.00 0.00 S ATOM 133 CE MET A 12 -17.018 0.865 9.546 1.00 0.00 C ATOM 0 H MET A 12 -16.423 -0.411 5.664 1.00 0.00 H new ATOM 0 HA MET A 12 -14.700 1.797 4.935 1.00 0.00 H new ATOM 0 HB2 MET A 12 -15.188 0.252 7.521 1.00 0.00 H new ATOM 0 HB3 MET A 12 -14.132 1.646 7.404 1.00 0.00 H new ATOM 0 HG2 MET A 12 -16.000 3.041 6.623 1.00 0.00 H new ATOM 0 HG3 MET A 12 -17.069 1.652 6.622 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.506 0.970 10.515 1.00 0.00 H new ATOM 0 HE2 MET A 12 -17.653 0.279 8.881 1.00 0.00 H new ATOM 0 HE3 MET A 12 -16.062 0.358 9.675 1.00 0.00 H new ATOM 143 N TYR A 13 -12.328 0.770 5.299 1.00 0.00 N ATOM 144 CA TYR A 13 -11.016 0.172 5.504 1.00 0.00 C ATOM 145 C TYR A 13 -10.051 1.184 6.110 1.00 0.00 C ATOM 146 O TYR A 13 -10.271 2.395 6.052 1.00 0.00 O ATOM 147 CB TYR A 13 -10.455 -0.410 4.197 1.00 0.00 C ATOM 148 CG TYR A 13 -9.826 0.579 3.232 1.00 0.00 C ATOM 149 CD1 TYR A 13 -8.446 0.850 3.319 1.00 0.00 C ATOM 150 CD2 TYR A 13 -10.596 1.191 2.225 1.00 0.00 C ATOM 151 CE1 TYR A 13 -7.835 1.733 2.415 1.00 0.00 C ATOM 152 CE2 TYR A 13 -9.984 2.064 1.304 1.00 0.00 C ATOM 153 CZ TYR A 13 -8.602 2.341 1.398 1.00 0.00 C ATOM 154 OH TYR A 13 -8.009 3.167 0.494 1.00 0.00 O ATOM 0 H TYR A 13 -12.297 1.770 5.101 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.131 -0.653 6.207 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.708 -1.162 4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -11.263 -0.926 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.854 0.375 4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.655 0.991 2.158 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.780 1.947 2.497 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.573 2.523 0.524 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.545 3.193 -0.326 1.00 0.00 H new ATOM 164 N GLU A 14 -8.957 0.660 6.647 1.00 0.00 N ATOM 165 CA GLU A 14 -7.822 1.399 7.164 1.00 0.00 C ATOM 166 C GLU A 14 -6.591 0.606 6.713 1.00 0.00 C ATOM 167 O GLU A 14 -6.688 -0.607 6.483 1.00 0.00 O ATOM 168 CB GLU A 14 -7.981 1.516 8.689 1.00 0.00 C ATOM 169 CG GLU A 14 -6.924 2.406 9.374 1.00 0.00 C ATOM 170 CD GLU A 14 -7.472 3.359 10.453 1.00 0.00 C ATOM 171 OE1 GLU A 14 -8.704 3.440 10.675 1.00 0.00 O ATOM 172 OE2 GLU A 14 -6.673 4.107 11.060 1.00 0.00 O ATOM 0 H GLU A 14 -8.835 -0.349 6.737 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.733 2.422 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.971 1.914 8.909 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.935 0.518 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.170 1.763 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.420 2.998 8.610 1.00 0.00 H new ATOM 179 N VAL A 15 -5.451 1.263 6.525 1.00 0.00 N ATOM 180 CA VAL A 15 -4.230 0.638 6.033 1.00 0.00 C ATOM 181 C VAL A 15 -3.047 1.477 6.498 1.00 0.00 C ATOM 182 O VAL A 15 -3.171 2.692 6.624 1.00 0.00 O ATOM 183 CB VAL A 15 -4.304 0.516 4.493 1.00 0.00 C ATOM 184 CG1 VAL A 15 -4.363 1.868 3.770 1.00 0.00 C ATOM 185 CG2 VAL A 15 -3.148 -0.301 3.907 1.00 0.00 C ATOM 0 H VAL A 15 -5.349 2.260 6.713 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.108 -0.371 6.428 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.243 -0.009 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.413 1.703 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.247 2.416 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.470 2.447 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.252 -0.353 2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.201 0.177 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.167 -1.309 4.322 1.00 0.00 H new ATOM 195 N THR A 16 -1.887 0.864 6.706 1.00 0.00 N ATOM 196 CA THR A 16 -0.648 1.576 6.978 1.00 0.00 C ATOM 197 C THR A 16 0.479 0.848 6.286 1.00 0.00 C ATOM 198 O THR A 16 0.450 -0.379 6.127 1.00 0.00 O ATOM 199 CB THR A 16 -0.431 1.762 8.489 1.00 0.00 C ATOM 200 OG1 THR A 16 0.822 2.301 8.870 1.00 0.00 O ATOM 201 CG2 THR A 16 -0.642 0.533 9.341 1.00 0.00 C ATOM 0 H THR A 16 -1.781 -0.150 6.690 1.00 0.00 H new ATOM 0 HA THR A 16 -0.691 2.589 6.577 1.00 0.00 H new ATOM 0 HB THR A 16 -1.221 2.487 8.684 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.003 3.109 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.462 0.780 10.387 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.666 0.180 9.223 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.050 -0.249 9.029 1.00 0.00 H new ATOM 209 N ILE A 17 1.450 1.643 5.865 1.00 0.00 N ATOM 210 CA ILE A 17 2.615 1.269 5.132 1.00 0.00 C ATOM 211 C ILE A 17 3.810 1.897 5.844 1.00 0.00 C ATOM 212 O ILE A 17 3.778 3.051 6.282 1.00 0.00 O ATOM 213 CB ILE A 17 2.430 1.713 3.671 1.00 0.00 C ATOM 214 CG1 ILE A 17 3.746 1.480 2.921 1.00 0.00 C ATOM 215 CG2 ILE A 17 1.941 3.167 3.485 1.00 0.00 C ATOM 216 CD1 ILE A 17 3.511 1.004 1.504 1.00 0.00 C ATOM 0 H ILE A 17 1.426 2.646 6.051 1.00 0.00 H new ATOM 0 HA ILE A 17 2.787 0.193 5.098 1.00 0.00 H new ATOM 0 HB ILE A 17 1.625 1.105 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.322 2.405 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.344 0.743 3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.842 3.384 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.974 3.291 3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.662 3.853 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.469 0.851 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.958 0.065 1.523 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.936 1.753 0.959 1.00 0.00 H new ATOM 228 N GLU A 18 4.877 1.119 5.939 1.00 0.00 N ATOM 229 CA GLU A 18 6.069 1.404 6.699 1.00 0.00 C ATOM 230 C GLU A 18 7.252 1.244 5.733 1.00 0.00 C ATOM 231 O GLU A 18 7.812 0.150 5.593 1.00 0.00 O ATOM 232 CB GLU A 18 6.085 0.448 7.909 1.00 0.00 C ATOM 233 CG GLU A 18 4.944 0.672 8.916 1.00 0.00 C ATOM 234 CD GLU A 18 5.259 0.107 10.305 1.00 0.00 C ATOM 235 OE1 GLU A 18 4.949 -1.082 10.570 1.00 0.00 O ATOM 236 OE2 GLU A 18 5.739 0.896 11.155 1.00 0.00 O ATOM 0 H GLU A 18 4.930 0.222 5.457 1.00 0.00 H new ATOM 0 HA GLU A 18 6.119 2.414 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.035 -0.578 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.037 0.556 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.744 1.740 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.034 0.206 8.537 1.00 0.00 H new ATOM 243 N GLN A 19 7.566 2.327 5.014 1.00 0.00 N ATOM 244 CA GLN A 19 8.724 2.508 4.137 1.00 0.00 C ATOM 245 C GLN A 19 9.898 3.062 4.973 1.00 0.00 C ATOM 246 O GLN A 19 9.713 3.508 6.108 1.00 0.00 O ATOM 247 CB GLN A 19 8.379 3.494 2.989 1.00 0.00 C ATOM 248 CG GLN A 19 7.158 3.094 2.138 1.00 0.00 C ATOM 249 CD GLN A 19 6.923 3.864 0.828 1.00 0.00 C ATOM 250 OE1 GLN A 19 6.162 3.394 -0.018 1.00 0.00 O ATOM 251 NE2 GLN A 19 7.502 5.032 0.608 1.00 0.00 N ATOM 0 H GLN A 19 6.975 3.158 5.032 1.00 0.00 H new ATOM 0 HA GLN A 19 9.002 1.551 3.696 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.198 4.480 3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.246 3.585 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.250 2.036 1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.267 3.202 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.134 5.427 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.317 5.538 -0.258 1.00 0.00 H new ATOM 260 N SER A 20 11.113 3.022 4.429 1.00 0.00 N ATOM 261 CA SER A 20 12.373 3.594 4.922 1.00 0.00 C ATOM 262 C SER A 20 13.479 3.127 3.963 1.00 0.00 C ATOM 263 O SER A 20 13.234 2.326 3.055 1.00 0.00 O ATOM 264 CB SER A 20 12.620 3.283 6.419 1.00 0.00 C ATOM 265 OG SER A 20 13.971 3.287 6.854 1.00 0.00 O ATOM 0 H SER A 20 11.258 2.540 3.542 1.00 0.00 H new ATOM 0 HA SER A 20 12.347 4.684 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.068 4.011 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.194 2.304 6.638 1.00 0.00 H new ATOM 0 HG SER A 20 14.007 3.081 7.811 1.00 0.00 H new ATOM 271 N GLY A 21 14.687 3.658 4.117 1.00 0.00 N ATOM 272 CA GLY A 21 15.710 3.524 3.102 1.00 0.00 C ATOM 273 C GLY A 21 15.407 4.475 1.953 1.00 0.00 C ATOM 274 O GLY A 21 14.792 5.524 2.142 1.00 0.00 O ATOM 0 H GLY A 21 14.977 4.186 4.940 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.689 3.747 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.746 2.497 2.739 1.00 0.00 H new ATOM 278 N ASP A 22 15.878 4.137 0.760 1.00 0.00 N ATOM 279 CA ASP A 22 15.903 5.048 -0.392 1.00 0.00 C ATOM 280 C ASP A 22 14.585 5.013 -1.189 1.00 0.00 C ATOM 281 O ASP A 22 14.537 4.764 -2.393 1.00 0.00 O ATOM 282 CB ASP A 22 17.114 4.695 -1.251 1.00 0.00 C ATOM 283 CG ASP A 22 17.619 5.857 -2.107 1.00 0.00 C ATOM 284 OD1 ASP A 22 16.929 6.890 -2.245 1.00 0.00 O ATOM 285 OD2 ASP A 22 18.763 5.726 -2.602 1.00 0.00 O ATOM 0 H ASP A 22 16.259 3.213 0.556 1.00 0.00 H new ATOM 0 HA ASP A 22 15.996 6.077 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.922 4.355 -0.603 1.00 0.00 H new ATOM 0 HB3 ASP A 22 16.855 3.860 -1.903 1.00 0.00 H new ATOM 290 N PHE A 23 13.476 5.174 -0.476 1.00 0.00 N ATOM 291 CA PHE A 23 12.111 5.011 -0.973 1.00 0.00 C ATOM 292 C PHE A 23 11.769 5.869 -2.198 1.00 0.00 C ATOM 293 O PHE A 23 11.127 5.352 -3.116 1.00 0.00 O ATOM 294 CB PHE A 23 11.080 5.189 0.156 1.00 0.00 C ATOM 295 CG PHE A 23 11.255 6.405 1.044 1.00 0.00 C ATOM 296 CD1 PHE A 23 10.768 7.657 0.636 1.00 0.00 C ATOM 297 CD2 PHE A 23 11.913 6.288 2.282 1.00 0.00 C ATOM 298 CE1 PHE A 23 10.990 8.792 1.433 1.00 0.00 C ATOM 299 CE2 PHE A 23 12.145 7.424 3.076 1.00 0.00 C ATOM 300 CZ PHE A 23 11.709 8.683 2.632 1.00 0.00 C ATOM 0 H PHE A 23 13.503 5.434 0.510 1.00 0.00 H new ATOM 0 HA PHE A 23 12.057 3.983 -1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.087 5.233 -0.292 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.106 4.300 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.222 7.747 -0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.242 5.318 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.606 9.752 1.121 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.656 7.329 4.023 1.00 0.00 H new ATOM 0 HZ PHE A 23 11.927 9.567 3.214 1.00 0.00 H new ATOM 310 N ARG A 24 12.205 7.133 -2.274 1.00 0.00 N ATOM 311 CA ARG A 24 11.938 7.996 -3.438 1.00 0.00 C ATOM 312 C ARG A 24 12.990 7.829 -4.542 1.00 0.00 C ATOM 313 O ARG A 24 13.243 8.760 -5.304 1.00 0.00 O ATOM 314 CB ARG A 24 11.698 9.447 -2.996 1.00 0.00 C ATOM 315 CG ARG A 24 12.930 10.172 -2.432 1.00 0.00 C ATOM 316 CD ARG A 24 12.499 11.042 -1.247 1.00 0.00 C ATOM 317 NE ARG A 24 13.637 11.735 -0.628 1.00 0.00 N ATOM 318 CZ ARG A 24 13.773 11.976 0.679 1.00 0.00 C ATOM 319 NH1 ARG A 24 12.767 11.788 1.525 1.00 0.00 N ATOM 320 NH2 ARG A 24 14.918 12.435 1.160 1.00 0.00 N ATOM 0 H ARG A 24 12.748 7.586 -1.539 1.00 0.00 H new ATOM 0 HA ARG A 24 11.009 7.669 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.323 10.012 -3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.914 9.454 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.680 9.448 -2.114 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.390 10.789 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.768 11.776 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.005 10.419 -0.501 1.00 0.00 H new ATOM 0 HE ARG A 24 14.382 12.058 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.867 11.453 1.181 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.894 11.979 2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.703 12.607 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.015 12.617 2.159 1.00 0.00 H new ATOM 334 N SER A 25 13.591 6.642 -4.617 1.00 0.00 N ATOM 335 CA SER A 25 14.449 6.173 -5.695 1.00 0.00 C ATOM 336 C SER A 25 13.953 4.823 -6.239 1.00 0.00 C ATOM 337 O SER A 25 14.727 4.048 -6.815 1.00 0.00 O ATOM 338 CB SER A 25 15.873 6.049 -5.170 1.00 0.00 C ATOM 339 OG SER A 25 16.401 7.301 -4.759 1.00 0.00 O ATOM 0 H SER A 25 13.483 5.944 -3.881 1.00 0.00 H new ATOM 0 HA SER A 25 14.423 6.889 -6.517 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.890 5.355 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.510 5.625 -5.946 1.00 0.00 H new ATOM 0 HG SER A 25 16.281 7.405 -3.792 1.00 0.00 H new ATOM 345 N PHE A 26 12.675 4.508 -6.027 1.00 0.00 N ATOM 346 CA PHE A 26 12.034 3.272 -6.448 1.00 0.00 C ATOM 347 C PHE A 26 10.774 3.550 -7.261 1.00 0.00 C ATOM 348 O PHE A 26 9.811 4.147 -6.768 1.00 0.00 O ATOM 349 CB PHE A 26 11.756 2.403 -5.225 1.00 0.00 C ATOM 350 CG PHE A 26 12.963 1.611 -4.775 1.00 0.00 C ATOM 351 CD1 PHE A 26 13.544 0.623 -5.598 1.00 0.00 C ATOM 352 CD2 PHE A 26 13.539 1.900 -3.531 1.00 0.00 C ATOM 353 CE1 PHE A 26 14.649 -0.116 -5.145 1.00 0.00 C ATOM 354 CE2 PHE A 26 14.663 1.189 -3.098 1.00 0.00 C ATOM 355 CZ PHE A 26 15.210 0.165 -3.890 1.00 0.00 C ATOM 0 H PHE A 26 12.037 5.135 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 26 12.706 2.724 -7.109 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.418 3.037 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 26 10.942 1.715 -5.453 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.137 0.434 -6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.115 2.672 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.066 -0.899 -5.761 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.114 1.429 -2.147 1.00 0.00 H new ATOM 0 HZ PHE A 26 16.057 -0.402 -3.535 1.00 0.00 H new ATOM 365 N ILE A 27 10.778 3.056 -8.500 1.00 0.00 N ATOM 366 CA ILE A 27 9.731 3.253 -9.488 1.00 0.00 C ATOM 367 C ILE A 27 8.530 2.414 -9.076 1.00 0.00 C ATOM 368 O ILE A 27 8.508 1.201 -9.310 1.00 0.00 O ATOM 369 CB ILE A 27 10.263 2.913 -10.898 1.00 0.00 C ATOM 370 CG1 ILE A 27 11.479 3.794 -11.257 1.00 0.00 C ATOM 371 CG2 ILE A 27 9.150 3.050 -11.959 1.00 0.00 C ATOM 372 CD1 ILE A 27 11.943 3.675 -12.713 1.00 0.00 C ATOM 0 H ILE A 27 11.546 2.484 -8.851 1.00 0.00 H new ATOM 0 HA ILE A 27 9.414 4.295 -9.532 1.00 0.00 H new ATOM 0 HB ILE A 27 10.591 1.874 -10.890 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.230 4.835 -11.052 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.309 3.530 -10.602 1.00 0.00 H new ATOM 0 HG21 ILE A 27 9.552 2.805 -12.942 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.334 2.368 -11.720 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.777 4.074 -11.965 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.801 4.328 -12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.227 2.643 -12.921 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.132 3.969 -13.379 1.00 0.00 H new ATOM 384 N LYS A 28 7.536 3.031 -8.426 1.00 0.00 N ATOM 385 CA LYS A 28 6.317 2.328 -8.050 1.00 0.00 C ATOM 386 C LYS A 28 5.100 3.240 -8.051 1.00 0.00 C ATOM 387 O LYS A 28 5.145 4.314 -8.653 1.00 0.00 O ATOM 388 CB LYS A 28 6.549 1.537 -6.738 1.00 0.00 C ATOM 389 CG LYS A 28 5.779 0.205 -6.647 1.00 0.00 C ATOM 390 CD LYS A 28 5.816 -0.596 -7.959 1.00 0.00 C ATOM 391 CE LYS A 28 5.465 -2.057 -7.722 1.00 0.00 C ATOM 392 NZ LYS A 28 5.120 -2.759 -8.972 1.00 0.00 N ATOM 0 H LYS A 28 7.557 4.013 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 28 6.075 1.587 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.615 1.333 -6.636 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.262 2.165 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.202 -0.400 -5.845 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.742 0.408 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.116 -0.162 -8.673 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.809 -0.525 -8.403 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.308 -2.559 -7.247 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.626 -2.119 -7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.888 -3.751 -8.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.299 -2.298 -9.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.929 -2.724 -9.624 1.00 0.00 H new ATOM 406 N SER A 29 3.996 2.776 -7.473 1.00 0.00 N ATOM 407 CA SER A 29 2.677 3.359 -7.520 1.00 0.00 C ATOM 408 C SER A 29 1.942 2.863 -6.271 1.00 0.00 C ATOM 409 O SER A 29 2.449 1.981 -5.565 1.00 0.00 O ATOM 410 CB SER A 29 1.942 2.838 -8.760 1.00 0.00 C ATOM 411 OG SER A 29 2.720 2.945 -9.933 1.00 0.00 O ATOM 0 H SER A 29 4.011 1.919 -6.921 1.00 0.00 H new ATOM 0 HA SER A 29 2.723 4.447 -7.560 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.667 1.795 -8.604 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.015 3.396 -8.890 1.00 0.00 H new ATOM 0 HG SER A 29 2.211 2.600 -10.696 1.00 0.00 H new ATOM 417 N VAL A 30 0.737 3.361 -6.010 1.00 0.00 N ATOM 418 CA VAL A 30 -0.135 2.820 -4.972 1.00 0.00 C ATOM 419 C VAL A 30 -1.589 2.921 -5.475 1.00 0.00 C ATOM 420 O VAL A 30 -1.810 3.449 -6.567 1.00 0.00 O ATOM 421 CB VAL A 30 0.175 3.572 -3.654 1.00 0.00 C ATOM 422 CG1 VAL A 30 -0.611 4.872 -3.534 1.00 0.00 C ATOM 423 CG2 VAL A 30 -0.006 2.673 -2.429 1.00 0.00 C ATOM 0 H VAL A 30 0.337 4.153 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 30 0.032 1.764 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 30 1.228 3.850 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.360 5.363 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.357 5.529 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.679 4.655 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.221 3.239 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.036 2.319 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.668 1.819 -2.501 1.00 0.00 H new ATOM 433 N VAL A 31 -2.581 2.432 -4.720 1.00 0.00 N ATOM 434 CA VAL A 31 -4.015 2.624 -5.002 1.00 0.00 C ATOM 435 C VAL A 31 -4.778 2.847 -3.676 1.00 0.00 C ATOM 436 O VAL A 31 -5.917 2.406 -3.511 1.00 0.00 O ATOM 437 CB VAL A 31 -4.604 1.429 -5.807 1.00 0.00 C ATOM 438 CG1 VAL A 31 -5.898 1.807 -6.549 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.682 0.841 -6.880 1.00 0.00 C ATOM 0 H VAL A 31 -2.409 1.881 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.134 3.509 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.768 0.688 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.270 0.941 -7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.649 2.132 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.693 2.617 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.187 0.015 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.435 1.612 -7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.767 0.477 -6.413 1.00 0.00 H new ATOM 449 N VAL A 32 -4.149 3.477 -2.678 1.00 0.00 N ATOM 450 CA VAL A 32 -4.812 3.771 -1.411 1.00 0.00 C ATOM 451 C VAL A 32 -5.705 4.998 -1.618 1.00 0.00 C ATOM 452 O VAL A 32 -5.286 6.128 -1.372 1.00 0.00 O ATOM 453 CB VAL A 32 -3.813 3.969 -0.248 1.00 0.00 C ATOM 454 CG1 VAL A 32 -4.613 4.142 1.051 1.00 0.00 C ATOM 455 CG2 VAL A 32 -2.847 2.789 -0.034 1.00 0.00 C ATOM 0 H VAL A 32 -3.180 3.792 -2.727 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.420 2.916 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.211 4.840 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.926 4.283 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.263 5.013 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.219 3.253 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.181 3.010 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.418 1.887 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.257 2.633 -0.937 1.00 0.00 H new ATOM 465 N VAL A 33 -6.941 4.785 -2.063 1.00 0.00 N ATOM 466 CA VAL A 33 -7.999 5.778 -1.969 1.00 0.00 C ATOM 467 C VAL A 33 -9.348 5.047 -1.868 1.00 0.00 C ATOM 468 O VAL A 33 -9.378 3.814 -1.788 1.00 0.00 O ATOM 469 CB VAL A 33 -7.878 6.787 -3.132 1.00 0.00 C ATOM 470 CG1 VAL A 33 -8.270 6.168 -4.484 1.00 0.00 C ATOM 471 CG2 VAL A 33 -8.647 8.084 -2.826 1.00 0.00 C ATOM 0 H VAL A 33 -7.235 3.912 -2.501 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.913 6.384 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.826 7.056 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.168 6.916 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.616 5.323 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -9.304 5.825 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.543 8.775 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.702 7.854 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.242 8.543 -1.924 1.00 0.00 H new ATOM 481 N ALA A 34 -10.459 5.788 -1.851 1.00 0.00 N ATOM 482 CA ALA A 34 -11.779 5.276 -2.184 1.00 0.00 C ATOM 483 C ALA A 34 -12.220 5.836 -3.537 1.00 0.00 C ATOM 484 O ALA A 34 -11.868 6.961 -3.879 1.00 0.00 O ATOM 485 CB ALA A 34 -12.763 5.741 -1.117 1.00 0.00 C ATOM 0 H ALA A 34 -10.460 6.777 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.751 4.187 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.759 5.365 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.452 5.360 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.783 6.830 -1.091 1.00 0.00 H new ATOM 491 N ASN A 35 -13.078 5.102 -4.250 1.00 0.00 N ATOM 492 CA ASN A 35 -13.624 5.497 -5.555 1.00 0.00 C ATOM 493 C ASN A 35 -14.980 6.203 -5.465 1.00 0.00 C ATOM 494 O ASN A 35 -15.667 6.368 -6.478 1.00 0.00 O ATOM 495 CB ASN A 35 -13.672 4.270 -6.490 1.00 0.00 C ATOM 496 CG ASN A 35 -12.839 4.497 -7.742 1.00 0.00 C ATOM 497 OD1 ASN A 35 -13.373 4.652 -8.833 1.00 0.00 O ATOM 498 ND2 ASN A 35 -11.524 4.487 -7.600 1.00 0.00 N ATOM 0 H ASN A 35 -13.421 4.196 -3.931 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.950 6.243 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.304 3.392 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.705 4.064 -6.770 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.922 4.611 -8.414 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.112 4.355 -6.676 1.00 0.00 H new ATOM 505 N GLY A 36 -15.385 6.576 -4.253 1.00 0.00 N ATOM 506 CA GLY A 36 -16.719 7.093 -3.986 1.00 0.00 C ATOM 507 C GLY A 36 -16.864 7.952 -2.724 1.00 0.00 C ATOM 508 O GLY A 36 -17.960 8.459 -2.488 1.00 0.00 O ATOM 0 H GLY A 36 -14.791 6.526 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -17.036 7.686 -4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -17.406 6.250 -3.909 1.00 0.00 H new ATOM 512 N THR A 37 -15.823 8.120 -1.901 1.00 0.00 N ATOM 513 CA THR A 37 -15.871 8.921 -0.677 1.00 0.00 C ATOM 514 C THR A 37 -14.528 9.635 -0.504 1.00 0.00 C ATOM 515 O THR A 37 -13.604 9.446 -1.304 1.00 0.00 O ATOM 516 CB THR A 37 -16.251 8.048 0.543 1.00 0.00 C ATOM 517 OG1 THR A 37 -16.553 8.848 1.666 1.00 0.00 O ATOM 518 CG2 THR A 37 -15.124 7.114 0.992 1.00 0.00 C ATOM 0 H THR A 37 -14.911 7.696 -2.071 1.00 0.00 H new ATOM 0 HA THR A 37 -16.651 9.678 -0.753 1.00 0.00 H new ATOM 0 HB THR A 37 -17.109 7.466 0.207 1.00 0.00 H new ATOM 0 HG1 THR A 37 -17.475 8.677 1.951 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.456 6.530 1.851 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.862 6.441 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 37 -14.251 7.705 1.270 1.00 0.00 H new ATOM 526 N GLN A 38 -14.414 10.435 0.552 1.00 0.00 N ATOM 527 CA GLN A 38 -13.198 11.108 0.962 1.00 0.00 C ATOM 528 C GLN A 38 -12.378 10.198 1.880 1.00 0.00 C ATOM 529 O GLN A 38 -12.894 9.262 2.501 1.00 0.00 O ATOM 530 CB GLN A 38 -13.598 12.442 1.626 1.00 0.00 C ATOM 531 CG GLN A 38 -13.925 13.470 0.528 1.00 0.00 C ATOM 532 CD GLN A 38 -15.183 14.300 0.779 1.00 0.00 C ATOM 533 OE1 GLN A 38 -16.318 13.834 0.618 1.00 0.00 O ATOM 534 NE2 GLN A 38 -14.996 15.561 1.138 1.00 0.00 N ATOM 0 H GLN A 38 -15.202 10.637 1.167 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.556 11.330 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -14.462 12.296 2.274 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.786 12.808 2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.077 14.146 0.419 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.037 12.944 -0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -14.050 15.920 1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -15.798 16.173 1.288 1.00 0.00 H new ATOM 543 N LEU A 39 -11.078 10.468 1.955 1.00 0.00 N ATOM 544 CA LEU A 39 -10.148 9.738 2.802 1.00 0.00 C ATOM 545 C LEU A 39 -9.559 10.615 3.901 1.00 0.00 C ATOM 546 O LEU A 39 -9.905 11.794 4.033 1.00 0.00 O ATOM 547 CB LEU A 39 -9.062 9.065 1.942 1.00 0.00 C ATOM 548 CG LEU A 39 -8.980 7.563 2.275 1.00 0.00 C ATOM 549 CD1 LEU A 39 -9.706 6.743 1.219 1.00 0.00 C ATOM 550 CD2 LEU A 39 -7.546 7.101 2.484 1.00 0.00 C ATOM 0 H LEU A 39 -10.636 11.214 1.418 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.702 8.953 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.289 9.199 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.097 9.539 2.123 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.487 7.400 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.638 5.684 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.754 7.041 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.247 6.915 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.537 6.036 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.970 7.279 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.102 7.656 3.310 1.00 0.00 H new ATOM 562 N LYS A 40 -8.700 10.008 4.724 1.00 0.00 N ATOM 563 CA LYS A 40 -8.100 10.621 5.890 1.00 0.00 C ATOM 564 C LYS A 40 -6.609 10.324 5.944 1.00 0.00 C ATOM 565 O LYS A 40 -6.222 9.157 6.049 1.00 0.00 O ATOM 566 CB LYS A 40 -8.821 10.119 7.143 1.00 0.00 C ATOM 567 CG LYS A 40 -8.283 10.883 8.346 1.00 0.00 C ATOM 568 CD LYS A 40 -9.028 10.559 9.630 1.00 0.00 C ATOM 569 CE LYS A 40 -8.748 9.141 10.139 1.00 0.00 C ATOM 570 NZ LYS A 40 -9.349 8.948 11.471 1.00 0.00 N ATOM 0 H LYS A 40 -8.399 9.044 4.584 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.208 11.704 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.896 10.270 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.659 9.049 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.226 10.650 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.352 11.953 8.151 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.746 11.278 10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.099 10.675 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.154 8.410 9.440 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.673 8.971 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.152 7.983 11.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.942 9.635 12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.378 9.090 11.412 1.00 0.00 H new ATOM 584 N ASP A 41 -5.811 11.386 5.908 1.00 0.00 N ATOM 585 CA ASP A 41 -4.354 11.372 6.041 1.00 0.00 C ATOM 586 C ASP A 41 -3.983 11.151 7.504 1.00 0.00 C ATOM 587 O ASP A 41 -4.648 11.686 8.393 1.00 0.00 O ATOM 588 CB ASP A 41 -3.808 12.732 5.599 1.00 0.00 C ATOM 589 CG ASP A 41 -2.288 12.883 5.686 1.00 0.00 C ATOM 590 OD1 ASP A 41 -1.558 11.870 5.638 1.00 0.00 O ATOM 591 OD2 ASP A 41 -1.843 14.053 5.764 1.00 0.00 O ATOM 0 H ASP A 41 -6.179 12.328 5.779 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.935 10.575 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.117 12.912 4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.270 13.507 6.211 1.00 0.00 H new ATOM 596 N GLY A 42 -2.895 10.429 7.753 1.00 0.00 N ATOM 597 CA GLY A 42 -2.409 10.092 9.085 1.00 0.00 C ATOM 598 C GLY A 42 -1.510 11.180 9.685 1.00 0.00 C ATOM 599 O GLY A 42 -0.765 10.883 10.620 1.00 0.00 O ATOM 0 H GLY A 42 -2.309 10.051 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.260 9.926 9.746 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.854 9.155 9.038 1.00 0.00 H new ATOM 603 N ALA A 43 -1.473 12.395 9.120 1.00 0.00 N ATOM 604 CA ALA A 43 -0.780 13.530 9.722 1.00 0.00 C ATOM 605 C ALA A 43 -1.611 14.056 10.891 1.00 0.00 C ATOM 606 O ALA A 43 -1.164 14.061 12.045 1.00 0.00 O ATOM 607 CB ALA A 43 -0.566 14.649 8.691 1.00 0.00 C ATOM 0 H ALA A 43 -1.925 12.613 8.232 1.00 0.00 H new ATOM 0 HA ALA A 43 0.197 13.202 10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.048 15.484 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.034 14.271 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.532 14.987 8.315 1.00 0.00 H new ATOM 613 N THR A 44 -2.797 14.550 10.540 1.00 0.00 N ATOM 614 CA THR A 44 -3.680 15.369 11.353 1.00 0.00 C ATOM 615 C THR A 44 -5.123 14.874 11.286 1.00 0.00 C ATOM 616 O THR A 44 -5.931 15.199 12.157 1.00 0.00 O ATOM 617 CB THR A 44 -3.531 16.835 10.901 1.00 0.00 C ATOM 618 OG1 THR A 44 -3.464 16.907 9.488 1.00 0.00 O ATOM 619 CG2 THR A 44 -2.226 17.431 11.434 1.00 0.00 C ATOM 0 H THR A 44 -3.189 14.373 9.615 1.00 0.00 H new ATOM 0 HA THR A 44 -3.398 15.295 12.403 1.00 0.00 H new ATOM 0 HB THR A 44 -4.392 17.383 11.283 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.371 17.843 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.138 18.466 11.105 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.228 17.395 12.523 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.382 16.856 11.054 1.00 0.00 H new ATOM 627 N GLY A 45 -5.452 14.002 10.330 1.00 0.00 N ATOM 628 CA GLY A 45 -6.809 13.535 10.137 1.00 0.00 C ATOM 629 C GLY A 45 -7.658 14.555 9.385 1.00 0.00 C ATOM 630 O GLY A 45 -8.850 14.693 9.685 1.00 0.00 O ATOM 0 H GLY A 45 -4.779 13.606 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.795 12.596 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.263 13.328 11.106 1.00 0.00 H new ATOM 634 N GLU A 46 -7.041 15.262 8.431 1.00 0.00 N ATOM 635 CA GLU A 46 -7.710 16.143 7.475 1.00 0.00 C ATOM 636 C GLU A 46 -8.563 15.286 6.521 1.00 0.00 C ATOM 637 O GLU A 46 -8.446 14.056 6.517 1.00 0.00 O ATOM 638 CB GLU A 46 -6.635 16.942 6.709 1.00 0.00 C ATOM 639 CG GLU A 46 -5.903 17.986 7.574 1.00 0.00 C ATOM 640 CD GLU A 46 -6.599 19.346 7.683 1.00 0.00 C ATOM 641 OE1 GLU A 46 -7.845 19.417 7.617 1.00 0.00 O ATOM 642 OE2 GLU A 46 -5.901 20.368 7.901 1.00 0.00 O ATOM 0 H GLU A 46 -6.030 15.234 8.302 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.369 16.847 7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.903 16.247 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.104 17.448 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.777 17.579 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.905 18.139 7.164 1.00 0.00 H new ATOM 649 N SER A 47 -9.415 15.906 5.702 1.00 0.00 N ATOM 650 CA SER A 47 -10.373 15.229 4.825 1.00 0.00 C ATOM 651 C SER A 47 -10.027 15.478 3.357 1.00 0.00 C ATOM 652 O SER A 47 -10.023 16.626 2.898 1.00 0.00 O ATOM 653 CB SER A 47 -11.808 15.650 5.180 1.00 0.00 C ATOM 654 OG SER A 47 -11.889 16.964 5.720 1.00 0.00 O ATOM 0 H SER A 47 -9.459 16.922 5.628 1.00 0.00 H new ATOM 0 HA SER A 47 -10.309 14.152 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.428 15.593 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.220 14.942 5.899 1.00 0.00 H new ATOM 0 HG SER A 47 -12.824 17.177 5.924 1.00 0.00 H new ATOM 660 N LEU A 48 -9.699 14.421 2.611 1.00 0.00 N ATOM 661 CA LEU A 48 -9.076 14.535 1.294 1.00 0.00 C ATOM 662 C LEU A 48 -9.983 13.932 0.228 1.00 0.00 C ATOM 663 O LEU A 48 -10.710 12.975 0.497 1.00 0.00 O ATOM 664 CB LEU A 48 -7.693 13.867 1.278 1.00 0.00 C ATOM 665 CG LEU A 48 -6.622 14.407 2.253 1.00 0.00 C ATOM 666 CD1 LEU A 48 -6.655 15.929 2.452 1.00 0.00 C ATOM 667 CD2 LEU A 48 -6.694 13.721 3.621 1.00 0.00 C ATOM 0 H LEU A 48 -9.860 13.458 2.906 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.935 15.593 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.831 12.806 1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.295 13.945 0.266 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.677 14.166 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.871 16.222 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.492 16.425 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.625 16.223 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.924 14.131 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.675 13.894 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.534 12.650 3.500 1.00 0.00 H new ATOM 679 N ALA A 49 -9.953 14.524 -0.967 1.00 0.00 N ATOM 680 CA ALA A 49 -10.798 14.176 -2.105 1.00 0.00 C ATOM 681 C ALA A 49 -10.358 12.856 -2.762 1.00 0.00 C ATOM 682 O ALA A 49 -9.519 12.133 -2.226 1.00 0.00 O ATOM 683 CB ALA A 49 -10.777 15.359 -3.077 1.00 0.00 C ATOM 0 H ALA A 49 -9.312 15.290 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.822 13.998 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -11.401 15.131 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -11.161 16.248 -2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.754 15.542 -3.406 1.00 0.00 H new ATOM 689 N SER A 50 -10.949 12.500 -3.907 1.00 0.00 N ATOM 690 CA SER A 50 -10.722 11.200 -4.537 1.00 0.00 C ATOM 691 C SER A 50 -10.936 11.228 -6.063 1.00 0.00 C ATOM 692 O SER A 50 -11.612 12.134 -6.564 1.00 0.00 O ATOM 693 CB SER A 50 -11.632 10.160 -3.865 1.00 0.00 C ATOM 694 OG SER A 50 -12.901 10.673 -3.494 1.00 0.00 O ATOM 0 H SER A 50 -11.594 13.102 -4.419 1.00 0.00 H new ATOM 0 HA SER A 50 -9.676 10.928 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.773 9.320 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.133 9.772 -2.977 1.00 0.00 H new ATOM 0 HG SER A 50 -13.089 10.437 -2.562 1.00 0.00 H new ATOM 700 N PRO A 51 -10.421 10.229 -6.813 1.00 0.00 N ATOM 701 CA PRO A 51 -9.378 9.293 -6.390 1.00 0.00 C ATOM 702 C PRO A 51 -8.045 10.022 -6.138 1.00 0.00 C ATOM 703 O PRO A 51 -7.927 11.227 -6.367 1.00 0.00 O ATOM 704 CB PRO A 51 -9.280 8.254 -7.516 1.00 0.00 C ATOM 705 CG PRO A 51 -9.685 9.044 -8.755 1.00 0.00 C ATOM 706 CD PRO A 51 -10.765 9.979 -8.208 1.00 0.00 C ATOM 0 HA PRO A 51 -9.617 8.812 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.271 7.852 -7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.945 7.408 -7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.845 9.596 -9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.069 8.396 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.796 10.910 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.752 9.523 -8.290 1.00 0.00 H new ATOM 714 N VAL A 52 -7.063 9.297 -5.611 1.00 0.00 N ATOM 715 CA VAL A 52 -5.728 9.747 -5.262 1.00 0.00 C ATOM 716 C VAL A 52 -4.858 8.540 -5.578 1.00 0.00 C ATOM 717 O VAL A 52 -4.790 7.591 -4.796 1.00 0.00 O ATOM 718 CB VAL A 52 -5.626 10.181 -3.781 1.00 0.00 C ATOM 719 CG1 VAL A 52 -4.206 10.648 -3.425 1.00 0.00 C ATOM 720 CG2 VAL A 52 -6.597 11.322 -3.460 1.00 0.00 C ATOM 0 H VAL A 52 -7.194 8.307 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.423 10.637 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.883 9.302 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.173 10.945 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.502 9.833 -3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.935 11.498 -4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.497 11.600 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.367 12.183 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.619 10.995 -3.653 1.00 0.00 H new ATOM 730 N ILE A 53 -4.284 8.519 -6.773 1.00 0.00 N ATOM 731 CA ILE A 53 -3.220 7.583 -7.096 1.00 0.00 C ATOM 732 C ILE A 53 -1.928 8.336 -6.809 1.00 0.00 C ATOM 733 O ILE A 53 -1.859 9.558 -6.973 1.00 0.00 O ATOM 734 CB ILE A 53 -3.350 7.088 -8.551 1.00 0.00 C ATOM 735 CG1 ILE A 53 -4.765 6.542 -8.846 1.00 0.00 C ATOM 736 CG2 ILE A 53 -2.317 6.006 -8.912 1.00 0.00 C ATOM 737 CD1 ILE A 53 -5.337 5.521 -7.856 1.00 0.00 C ATOM 0 H ILE A 53 -4.540 9.144 -7.537 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.256 6.670 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.159 7.965 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.451 7.388 -8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.752 6.084 -9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.459 5.698 -9.948 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.311 6.407 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.448 5.145 -8.257 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.333 5.220 -8.179 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.688 4.646 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.397 5.970 -6.865 1.00 0.00 H new ATOM 749 N LEU A 54 -0.924 7.596 -6.348 1.00 0.00 N ATOM 750 CA LEU A 54 0.431 8.092 -6.165 1.00 0.00 C ATOM 751 C LEU A 54 1.272 7.323 -7.163 1.00 0.00 C ATOM 752 O LEU A 54 1.148 6.095 -7.231 1.00 0.00 O ATOM 753 CB LEU A 54 0.957 7.866 -4.733 1.00 0.00 C ATOM 754 CG LEU A 54 0.093 8.422 -3.583 1.00 0.00 C ATOM 755 CD1 LEU A 54 0.865 8.305 -2.264 1.00 0.00 C ATOM 756 CD2 LEU A 54 -0.353 9.877 -3.758 1.00 0.00 C ATOM 0 H LEU A 54 -1.034 6.616 -6.087 1.00 0.00 H new ATOM 0 HA LEU A 54 0.469 9.170 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.078 6.794 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.949 8.312 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.815 7.819 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.256 8.698 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.098 7.258 -2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.791 8.876 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.955 10.179 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.524 10.520 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.946 9.969 -4.668 1.00 0.00 H new ATOM 768 N SER A 55 2.099 8.033 -7.921 1.00 0.00 N ATOM 769 CA SER A 55 3.179 7.458 -8.706 1.00 0.00 C ATOM 770 C SER A 55 4.491 7.591 -7.924 1.00 0.00 C ATOM 771 O SER A 55 4.511 8.041 -6.784 1.00 0.00 O ATOM 772 CB SER A 55 3.235 8.137 -10.084 1.00 0.00 C ATOM 773 OG SER A 55 2.005 7.995 -10.779 1.00 0.00 O ATOM 0 H SER A 55 2.034 9.047 -8.007 1.00 0.00 H new ATOM 0 HA SER A 55 3.007 6.396 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.466 9.195 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.041 7.701 -10.674 1.00 0.00 H new ATOM 0 HG SER A 55 2.069 8.438 -11.651 1.00 0.00 H new ATOM 779 N ASP A 56 5.588 7.188 -8.547 1.00 0.00 N ATOM 780 CA ASP A 56 6.966 7.112 -8.062 1.00 0.00 C ATOM 781 C ASP A 56 7.399 8.340 -7.276 1.00 0.00 C ATOM 782 O ASP A 56 7.962 8.231 -6.190 1.00 0.00 O ATOM 783 CB ASP A 56 7.892 6.924 -9.274 1.00 0.00 C ATOM 784 CG ASP A 56 7.388 7.631 -10.535 1.00 0.00 C ATOM 785 OD1 ASP A 56 7.330 8.872 -10.605 1.00 0.00 O ATOM 786 OD2 ASP A 56 6.802 6.910 -11.381 1.00 0.00 O ATOM 0 H ASP A 56 5.532 6.869 -9.514 1.00 0.00 H new ATOM 0 HA ASP A 56 7.029 6.270 -7.373 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.884 7.301 -9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.998 5.859 -9.480 1.00 0.00 H new ATOM 791 N GLU A 57 7.163 9.521 -7.819 1.00 0.00 N ATOM 792 CA GLU A 57 7.596 10.771 -7.202 1.00 0.00 C ATOM 793 C GLU A 57 6.671 11.240 -6.074 1.00 0.00 C ATOM 794 O GLU A 57 7.051 12.071 -5.248 1.00 0.00 O ATOM 795 CB GLU A 57 7.689 11.824 -8.298 1.00 0.00 C ATOM 796 CG GLU A 57 8.902 11.569 -9.213 1.00 0.00 C ATOM 797 CD GLU A 57 10.219 11.986 -8.554 1.00 0.00 C ATOM 798 OE1 GLU A 57 10.756 11.228 -7.711 1.00 0.00 O ATOM 799 OE2 GLU A 57 10.713 13.095 -8.872 1.00 0.00 O ATOM 0 H GLU A 57 6.666 9.645 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 57 8.566 10.608 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.775 11.817 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.770 12.814 -7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.945 10.511 -9.470 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.774 12.119 -10.145 1.00 0.00 H new ATOM 806 N GLU A 58 5.453 10.715 -6.028 1.00 0.00 N ATOM 807 CA GLU A 58 4.517 10.862 -4.919 1.00 0.00 C ATOM 808 C GLU A 58 4.705 9.756 -3.857 1.00 0.00 C ATOM 809 O GLU A 58 4.277 9.932 -2.717 1.00 0.00 O ATOM 810 CB GLU A 58 3.079 10.859 -5.463 1.00 0.00 C ATOM 811 CG GLU A 58 2.611 12.233 -5.976 1.00 0.00 C ATOM 812 CD GLU A 58 1.917 13.096 -4.914 1.00 0.00 C ATOM 813 OE1 GLU A 58 2.266 12.998 -3.718 1.00 0.00 O ATOM 814 OE2 GLU A 58 1.065 13.943 -5.274 1.00 0.00 O ATOM 0 H GLU A 58 5.075 10.154 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 58 4.717 11.812 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.008 10.134 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.403 10.525 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.473 12.777 -6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.926 12.083 -6.811 1.00 0.00 H new ATOM 821 N LEU A 59 5.377 8.644 -4.180 1.00 0.00 N ATOM 822 CA LEU A 59 5.655 7.456 -3.347 1.00 0.00 C ATOM 823 C LEU A 59 6.706 7.727 -2.252 1.00 0.00 C ATOM 824 O LEU A 59 7.397 6.831 -1.755 1.00 0.00 O ATOM 825 CB LEU A 59 6.090 6.311 -4.292 1.00 0.00 C ATOM 826 CG LEU A 59 5.142 5.112 -4.442 1.00 0.00 C ATOM 827 CD1 LEU A 59 5.260 4.132 -3.282 1.00 0.00 C ATOM 828 CD2 LEU A 59 3.670 5.497 -4.627 1.00 0.00 C ATOM 0 H LEU A 59 5.777 8.538 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 59 4.751 7.176 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.252 6.736 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.053 5.936 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 59 5.473 4.629 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.570 3.302 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.280 3.751 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.015 4.641 -2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.067 4.594 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.331 6.067 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.563 6.104 -5.526 1.00 0.00 H new ATOM 840 N ALA A 60 6.858 8.993 -1.886 1.00 0.00 N ATOM 841 CA ALA A 60 7.966 9.521 -1.122 1.00 0.00 C ATOM 842 C ALA A 60 7.657 9.528 0.380 1.00 0.00 C ATOM 843 O ALA A 60 8.164 10.409 1.081 1.00 0.00 O ATOM 844 CB ALA A 60 8.304 10.918 -1.662 1.00 0.00 C ATOM 0 H ALA A 60 6.174 9.710 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 60 8.840 8.879 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.139 11.334 -1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.578 10.845 -2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.436 11.568 -1.558 1.00 0.00 H new ATOM 850 N VAL A 61 6.787 8.638 0.878 1.00 0.00 N ATOM 851 CA VAL A 61 6.413 8.680 2.300 1.00 0.00 C ATOM 852 C VAL A 61 7.249 7.700 3.136 1.00 0.00 C ATOM 853 O VAL A 61 8.029 6.915 2.592 1.00 0.00 O ATOM 854 CB VAL A 61 4.887 8.596 2.502 1.00 0.00 C ATOM 855 CG1 VAL A 61 4.178 9.691 1.702 1.00 0.00 C ATOM 856 CG2 VAL A 61 4.224 7.253 2.199 1.00 0.00 C ATOM 0 H VAL A 61 6.339 7.899 0.336 1.00 0.00 H new ATOM 0 HA VAL A 61 6.673 9.661 2.696 1.00 0.00 H new ATOM 0 HB VAL A 61 4.770 8.733 3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.102 9.616 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.525 10.669 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.401 9.570 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.152 7.327 2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.398 6.989 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.649 6.484 2.844 1.00 0.00 H new ATOM 866 N GLU A 62 7.120 7.755 4.466 1.00 0.00 N ATOM 867 CA GLU A 62 7.939 6.973 5.391 1.00 0.00 C ATOM 868 C GLU A 62 7.019 6.113 6.248 1.00 0.00 C ATOM 869 O GLU A 62 7.008 4.891 6.110 1.00 0.00 O ATOM 870 CB GLU A 62 8.892 7.859 6.220 1.00 0.00 C ATOM 871 CG GLU A 62 9.679 8.828 5.328 1.00 0.00 C ATOM 872 CD GLU A 62 11.008 9.314 5.914 1.00 0.00 C ATOM 873 OE1 GLU A 62 11.786 8.492 6.454 1.00 0.00 O ATOM 874 OE2 GLU A 62 11.320 10.521 5.783 1.00 0.00 O ATOM 0 H GLU A 62 6.436 8.351 4.933 1.00 0.00 H new ATOM 0 HA GLU A 62 8.599 6.315 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.318 8.424 6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.587 7.228 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.877 8.340 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.053 9.695 5.119 1.00 0.00 H new ATOM 881 N LYS A 63 6.171 6.734 7.064 1.00 0.00 N ATOM 882 CA LYS A 63 5.140 6.046 7.845 1.00 0.00 C ATOM 883 C LYS A 63 3.859 6.855 7.798 1.00 0.00 C ATOM 884 O LYS A 63 3.906 8.045 8.130 1.00 0.00 O ATOM 885 CB LYS A 63 5.578 5.848 9.313 1.00 0.00 C ATOM 886 CG LYS A 63 5.638 4.367 9.690 1.00 0.00 C ATOM 887 CD LYS A 63 7.018 3.745 9.418 1.00 0.00 C ATOM 888 CE LYS A 63 7.967 3.820 10.616 1.00 0.00 C ATOM 889 NZ LYS A 63 7.503 2.976 11.739 1.00 0.00 N ATOM 0 H LYS A 63 6.179 7.744 7.205 1.00 0.00 H new ATOM 0 HA LYS A 63 4.980 5.060 7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.557 6.302 9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.881 6.364 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.394 4.254 10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.880 3.821 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.888 2.701 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.476 4.253 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.964 3.502 10.310 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.050 4.854 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.295 2.400 12.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.149 3.583 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.739 2.351 11.411 1.00 0.00 H new ATOM 903 N VAL A 64 2.743 6.236 7.413 1.00 0.00 N ATOM 904 CA VAL A 64 1.427 6.843 7.548 1.00 0.00 C ATOM 905 C VAL A 64 0.363 5.742 7.578 1.00 0.00 C ATOM 906 O VAL A 64 0.552 4.690 6.962 1.00 0.00 O ATOM 907 CB VAL A 64 1.224 7.870 6.410 1.00 0.00 C ATOM 908 CG1 VAL A 64 0.811 7.275 5.064 1.00 0.00 C ATOM 909 CG2 VAL A 64 0.218 8.943 6.845 1.00 0.00 C ATOM 0 H VAL A 64 2.730 5.303 7.001 1.00 0.00 H new ATOM 0 HA VAL A 64 1.336 7.390 8.486 1.00 0.00 H new ATOM 0 HB VAL A 64 2.207 8.308 6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.694 8.075 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.579 6.581 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.135 6.744 5.176 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.081 9.662 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.737 8.473 7.078 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.594 9.458 7.729 1.00 0.00 H new ATOM 919 N THR A 65 -0.758 6.001 8.256 1.00 0.00 N ATOM 920 CA THR A 65 -1.943 5.152 8.273 1.00 0.00 C ATOM 921 C THR A 65 -3.085 5.958 7.660 1.00 0.00 C ATOM 922 O THR A 65 -3.384 7.062 8.126 1.00 0.00 O ATOM 923 CB THR A 65 -2.311 4.737 9.706 1.00 0.00 C ATOM 924 OG1 THR A 65 -1.232 4.168 10.421 1.00 0.00 O ATOM 925 CG2 THR A 65 -3.509 3.792 9.776 1.00 0.00 C ATOM 0 H THR A 65 -0.865 6.839 8.828 1.00 0.00 H new ATOM 0 HA THR A 65 -1.753 4.239 7.709 1.00 0.00 H new ATOM 0 HB THR A 65 -2.584 5.678 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.528 3.927 11.323 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.713 3.540 10.817 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.382 4.279 9.342 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.287 2.882 9.219 1.00 0.00 H new ATOM 933 N LEU A 66 -3.716 5.428 6.615 1.00 0.00 N ATOM 934 CA LEU A 66 -4.802 6.055 5.894 1.00 0.00 C ATOM 935 C LEU A 66 -6.112 5.318 6.176 1.00 0.00 C ATOM 936 O LEU A 66 -6.088 4.101 6.371 1.00 0.00 O ATOM 937 CB LEU A 66 -4.499 5.996 4.408 1.00 0.00 C ATOM 938 CG LEU A 66 -3.116 6.525 4.016 1.00 0.00 C ATOM 939 CD1 LEU A 66 -2.777 7.910 4.602 1.00 0.00 C ATOM 940 CD2 LEU A 66 -2.009 5.459 4.086 1.00 0.00 C ATOM 0 H LEU A 66 -3.469 4.513 6.238 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.904 7.091 6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.586 4.962 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.257 6.568 3.873 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.173 6.744 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.781 8.209 4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.508 8.641 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.802 7.861 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.057 5.903 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.935 5.077 5.104 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.249 4.640 3.408 1.00 0.00 H new ATOM 952 N SER A 67 -7.263 5.995 6.133 1.00 0.00 N ATOM 953 CA SER A 67 -8.553 5.367 6.417 1.00 0.00 C ATOM 954 C SER A 67 -9.674 6.171 5.779 1.00 0.00 C ATOM 955 O SER A 67 -9.542 7.375 5.564 1.00 0.00 O ATOM 956 CB SER A 67 -8.725 5.281 7.934 1.00 0.00 C ATOM 957 OG SER A 67 -9.776 4.441 8.382 1.00 0.00 O ATOM 0 H SER A 67 -7.325 6.987 5.902 1.00 0.00 H new ATOM 0 HA SER A 67 -8.589 4.362 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.790 4.927 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.896 6.286 8.320 1.00 0.00 H new ATOM 0 HG SER A 67 -9.583 4.133 9.292 1.00 0.00 H new ATOM 963 N THR A 68 -10.767 5.492 5.454 1.00 0.00 N ATOM 964 CA THR A 68 -11.924 6.076 4.780 1.00 0.00 C ATOM 965 C THR A 68 -12.767 6.911 5.748 1.00 0.00 C ATOM 966 O THR A 68 -12.893 6.552 6.920 1.00 0.00 O ATOM 967 CB THR A 68 -12.742 4.942 4.129 1.00 0.00 C ATOM 968 OG1 THR A 68 -12.862 3.755 4.905 1.00 0.00 O ATOM 969 CG2 THR A 68 -12.067 4.521 2.825 1.00 0.00 C ATOM 0 H THR A 68 -10.878 4.498 5.655 1.00 0.00 H new ATOM 0 HA THR A 68 -11.589 6.760 4.001 1.00 0.00 H new ATOM 0 HB THR A 68 -13.739 5.363 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.735 3.743 5.351 1.00 0.00 H new ATOM 0 HG21 THR A 68 -12.641 3.719 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.020 5.374 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.057 4.169 3.035 1.00 0.00 H new ATOM 977 N THR A 69 -13.394 7.993 5.278 1.00 0.00 N ATOM 978 CA THR A 69 -14.360 8.723 6.097 1.00 0.00 C ATOM 979 C THR A 69 -15.723 8.025 6.000 1.00 0.00 C ATOM 980 O THR A 69 -16.350 7.731 7.018 1.00 0.00 O ATOM 981 CB THR A 69 -14.406 10.211 5.707 1.00 0.00 C ATOM 982 OG1 THR A 69 -14.901 10.397 4.401 1.00 0.00 O ATOM 983 CG2 THR A 69 -13.023 10.871 5.764 1.00 0.00 C ATOM 0 H THR A 69 -13.251 8.378 4.344 1.00 0.00 H new ATOM 0 HA THR A 69 -14.053 8.708 7.143 1.00 0.00 H new ATOM 0 HB THR A 69 -15.071 10.674 6.436 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.261 10.034 3.754 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.108 11.920 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.628 10.800 6.777 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.349 10.363 5.075 1.00 0.00 H new ATOM 991 N GLY A 70 -16.164 7.691 4.782 1.00 0.00 N ATOM 992 CA GLY A 70 -17.323 6.848 4.519 1.00 0.00 C ATOM 993 C GLY A 70 -16.883 5.417 4.237 1.00 0.00 C ATOM 994 O GLY A 70 -16.026 4.872 4.935 1.00 0.00 O ATOM 0 H GLY A 70 -15.706 8.013 3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.996 6.866 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.880 7.239 3.667 1.00 0.00 H new ATOM 998 N LYS A 71 -17.502 4.794 3.235 1.00 0.00 N ATOM 999 CA LYS A 71 -17.152 3.482 2.688 1.00 0.00 C ATOM 1000 C LYS A 71 -16.359 3.719 1.421 1.00 0.00 C ATOM 1001 O LYS A 71 -16.667 4.688 0.736 1.00 0.00 O ATOM 1002 CB LYS A 71 -18.435 2.726 2.295 1.00 0.00 C ATOM 1003 CG LYS A 71 -19.483 2.642 3.410 1.00 0.00 C ATOM 1004 CD LYS A 71 -19.017 1.789 4.590 1.00 0.00 C ATOM 1005 CE LYS A 71 -19.693 2.267 5.876 1.00 0.00 C ATOM 1006 NZ LYS A 71 -19.831 1.182 6.863 1.00 0.00 N ATOM 0 H LYS A 71 -18.302 5.211 2.758 1.00 0.00 H new ATOM 0 HA LYS A 71 -16.591 2.906 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.881 3.216 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.167 1.715 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -19.715 3.647 3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.405 2.225 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.257 0.741 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.934 1.854 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.112 3.080 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.678 2.670 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.019 1.588 7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.620 0.562 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.951 0.628 6.895 1.00 0.00 H new ATOM 1020 N ALA A 72 -15.406 2.863 1.067 1.00 0.00 N ATOM 1021 CA ALA A 72 -14.832 2.831 -0.269 1.00 0.00 C ATOM 1022 C ALA A 72 -15.761 2.101 -1.221 1.00 0.00 C ATOM 1023 O ALA A 72 -16.822 1.615 -0.828 1.00 0.00 O ATOM 1024 CB ALA A 72 -13.424 2.224 -0.225 1.00 0.00 C ATOM 0 H ALA A 72 -15.010 2.170 1.703 1.00 0.00 H new ATOM 0 HA ALA A 72 -14.726 3.847 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.004 2.205 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.788 2.827 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.478 1.207 0.165 1.00 0.00 H new ATOM 1030 N ILE A 73 -15.362 2.097 -2.490 1.00 0.00 N ATOM 1031 CA ILE A 73 -15.902 1.236 -3.520 1.00 0.00 C ATOM 1032 C ILE A 73 -14.792 0.250 -3.884 1.00 0.00 C ATOM 1033 O ILE A 73 -14.991 -0.960 -3.882 1.00 0.00 O ATOM 1034 CB ILE A 73 -16.351 2.037 -4.772 1.00 0.00 C ATOM 1035 CG1 ILE A 73 -17.172 3.295 -4.432 1.00 0.00 C ATOM 1036 CG2 ILE A 73 -17.130 1.142 -5.737 1.00 0.00 C ATOM 1037 CD1 ILE A 73 -17.925 3.950 -5.602 1.00 0.00 C ATOM 0 H ILE A 73 -14.629 2.717 -2.834 1.00 0.00 H new ATOM 0 HA ILE A 73 -16.792 0.724 -3.154 1.00 0.00 H new ATOM 0 HB ILE A 73 -15.436 2.382 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -17.897 3.033 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -16.500 4.036 -3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -17.435 1.724 -6.607 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -16.497 0.315 -6.057 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -18.014 0.749 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.466 4.825 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -17.212 4.254 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.631 3.236 -6.026 1.00 0.00 H new ATOM 1049 N GLU A 74 -13.610 0.795 -4.178 1.00 0.00 N ATOM 1050 CA GLU A 74 -12.445 0.089 -4.673 1.00 0.00 C ATOM 1051 C GLU A 74 -11.267 0.504 -3.797 1.00 0.00 C ATOM 1052 O GLU A 74 -11.237 1.633 -3.293 1.00 0.00 O ATOM 1053 CB GLU A 74 -12.145 0.525 -6.117 1.00 0.00 C ATOM 1054 CG GLU A 74 -13.225 0.261 -7.172 1.00 0.00 C ATOM 1055 CD GLU A 74 -12.932 -1.016 -7.957 1.00 0.00 C ATOM 1056 OE1 GLU A 74 -12.189 -0.957 -8.963 1.00 0.00 O ATOM 1057 OE2 GLU A 74 -13.426 -2.097 -7.586 1.00 0.00 O ATOM 0 H GLU A 74 -13.439 1.795 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.614 -0.988 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.936 1.595 -6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.232 0.024 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.198 0.178 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.282 1.107 -7.857 1.00 0.00 H new ATOM 1064 N PHE A 75 -10.286 -0.381 -3.671 1.00 0.00 N ATOM 1065 CA PHE A 75 -9.007 -0.206 -2.995 1.00 0.00 C ATOM 1066 C PHE A 75 -8.138 -1.378 -3.470 1.00 0.00 C ATOM 1067 O PHE A 75 -8.670 -2.465 -3.713 1.00 0.00 O ATOM 1068 CB PHE A 75 -9.282 -0.289 -1.493 1.00 0.00 C ATOM 1069 CG PHE A 75 -8.088 -0.448 -0.585 1.00 0.00 C ATOM 1070 CD1 PHE A 75 -6.958 0.372 -0.727 1.00 0.00 C ATOM 1071 CD2 PHE A 75 -8.136 -1.407 0.441 1.00 0.00 C ATOM 1072 CE1 PHE A 75 -5.891 0.239 0.173 1.00 0.00 C ATOM 1073 CE2 PHE A 75 -7.082 -1.528 1.353 1.00 0.00 C ATOM 1074 CZ PHE A 75 -5.968 -0.687 1.227 1.00 0.00 C ATOM 0 H PHE A 75 -10.372 -1.315 -4.072 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.511 0.741 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.815 0.614 -1.196 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.955 -1.129 -1.318 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.911 1.100 -1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.995 -2.057 0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.008 0.850 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.126 -2.261 2.145 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.164 -0.751 1.945 1.00 0.00 H new ATOM 1084 N ALA A 76 -6.825 -1.193 -3.608 1.00 0.00 N ATOM 1085 CA ALA A 76 -5.914 -2.272 -3.976 1.00 0.00 C ATOM 1086 C ALA A 76 -4.560 -2.042 -3.315 1.00 0.00 C ATOM 1087 O ALA A 76 -4.134 -0.896 -3.129 1.00 0.00 O ATOM 1088 CB ALA A 76 -5.785 -2.359 -5.500 1.00 0.00 C ATOM 0 H ALA A 76 -6.366 -0.293 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.312 -3.224 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.103 -3.168 -5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.764 -2.554 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.396 -1.417 -5.887 1.00 0.00 H new ATOM 1094 N VAL A 77 -3.877 -3.132 -2.978 1.00 0.00 N ATOM 1095 CA VAL A 77 -2.676 -3.152 -2.156 1.00 0.00 C ATOM 1096 C VAL A 77 -1.685 -4.026 -2.895 1.00 0.00 C ATOM 1097 O VAL A 77 -1.897 -5.217 -3.113 1.00 0.00 O ATOM 1098 CB VAL A 77 -3.009 -3.592 -0.723 1.00 0.00 C ATOM 1099 CG1 VAL A 77 -1.808 -3.809 0.208 1.00 0.00 C ATOM 1100 CG2 VAL A 77 -3.921 -2.528 -0.112 1.00 0.00 C ATOM 0 H VAL A 77 -4.159 -4.063 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.228 -2.168 -2.018 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.478 -4.572 -0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.161 -4.117 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.163 -4.584 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.246 -2.880 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.177 -2.811 0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.405 -1.568 -0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.832 -2.446 -0.705 1.00 0.00 H new ATOM 1110 N SER A 78 -0.653 -3.386 -3.409 1.00 0.00 N ATOM 1111 CA SER A 78 0.208 -3.947 -4.424 1.00 0.00 C ATOM 1112 C SER A 78 1.614 -3.431 -4.136 1.00 0.00 C ATOM 1113 O SER A 78 1.770 -2.421 -3.445 1.00 0.00 O ATOM 1114 CB SER A 78 -0.378 -3.580 -5.804 1.00 0.00 C ATOM 1115 OG SER A 78 -1.283 -2.469 -5.787 1.00 0.00 O ATOM 0 H SER A 78 -0.387 -2.443 -3.125 1.00 0.00 H new ATOM 0 HA SER A 78 0.269 -5.035 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.443 -3.354 -6.485 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.897 -4.449 -6.208 1.00 0.00 H new ATOM 0 HG SER A 78 -1.609 -2.298 -6.695 1.00 0.00 H new ATOM 1121 N GLY A 79 2.634 -4.164 -4.568 1.00 0.00 N ATOM 1122 CA GLY A 79 3.983 -4.041 -4.040 1.00 0.00 C ATOM 1123 C GLY A 79 4.984 -4.532 -5.073 1.00 0.00 C ATOM 1124 O GLY A 79 4.689 -4.534 -6.273 1.00 0.00 O ATOM 0 H GLY A 79 2.544 -4.867 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.190 -3.002 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.079 -4.621 -3.122 1.00 0.00 H new ATOM 1128 N GLY A 80 6.179 -4.892 -4.624 1.00 0.00 N ATOM 1129 CA GLY A 80 7.318 -5.119 -5.492 1.00 0.00 C ATOM 1130 C GLY A 80 7.853 -3.786 -5.991 1.00 0.00 C ATOM 1131 O GLY A 80 7.557 -2.736 -5.407 1.00 0.00 O ATOM 0 H GLY A 80 6.383 -5.035 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.098 -5.656 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.026 -5.744 -6.336 1.00 0.00 H new ATOM 1135 N VAL A 81 8.632 -3.817 -7.070 1.00 0.00 N ATOM 1136 CA VAL A 81 9.149 -2.651 -7.784 1.00 0.00 C ATOM 1137 C VAL A 81 9.654 -3.129 -9.147 1.00 0.00 C ATOM 1138 O VAL A 81 9.624 -4.335 -9.418 1.00 0.00 O ATOM 1139 CB VAL A 81 10.205 -1.954 -6.899 1.00 0.00 C ATOM 1140 CG1 VAL A 81 11.499 -2.750 -6.801 1.00 0.00 C ATOM 1141 CG2 VAL A 81 10.472 -0.511 -7.316 1.00 0.00 C ATOM 0 H VAL A 81 8.934 -4.696 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 81 8.390 -1.894 -7.980 1.00 0.00 H new ATOM 0 HB VAL A 81 9.770 -1.918 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.208 -2.216 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.292 -3.729 -6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.925 -2.876 -7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.223 -0.075 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.835 -0.490 -8.343 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.549 0.065 -7.246 1.00 0.00 H new ATOM 1295 N MET A 93 16.074 -1.632 2.260 1.00 0.00 N ATOM 1296 CA MET A 93 14.813 -0.919 2.402 1.00 0.00 C ATOM 1297 C MET A 93 13.733 -1.898 2.849 1.00 0.00 C ATOM 1298 O MET A 93 13.158 -2.636 2.044 1.00 0.00 O ATOM 1299 CB MET A 93 14.427 -0.235 1.085 1.00 0.00 C ATOM 1300 CG MET A 93 15.593 0.552 0.490 1.00 0.00 C ATOM 1301 SD MET A 93 16.544 -0.425 -0.711 1.00 0.00 S ATOM 1302 CE MET A 93 17.729 0.821 -1.270 1.00 0.00 C ATOM 0 HA MET A 93 14.920 -0.139 3.156 1.00 0.00 H new ATOM 0 HB2 MET A 93 14.093 -0.987 0.370 1.00 0.00 H new ATOM 0 HB3 MET A 93 13.586 0.437 1.257 1.00 0.00 H new ATOM 0 HG2 MET A 93 15.212 1.450 0.004 1.00 0.00 H new ATOM 0 HG3 MET A 93 16.254 0.880 1.292 1.00 0.00 H new ATOM 0 HE1 MET A 93 17.783 0.809 -2.359 1.00 0.00 H new ATOM 0 HE2 MET A 93 17.407 1.806 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 93 18.713 0.599 -0.856 1.00 0.00 H new ATOM 1312 N GLN A 94 13.465 -1.946 4.150 1.00 0.00 N ATOM 1313 CA GLN A 94 12.444 -2.844 4.672 1.00 0.00 C ATOM 1314 C GLN A 94 11.075 -2.289 4.270 1.00 0.00 C ATOM 1315 O GLN A 94 10.855 -1.085 4.390 1.00 0.00 O ATOM 1316 CB GLN A 94 12.548 -2.951 6.206 1.00 0.00 C ATOM 1317 CG GLN A 94 12.338 -4.390 6.672 1.00 0.00 C ATOM 1318 CD GLN A 94 11.934 -4.516 8.136 1.00 0.00 C ATOM 1319 OE1 GLN A 94 12.724 -4.941 8.982 1.00 0.00 O ATOM 1320 NE2 GLN A 94 10.679 -4.230 8.445 1.00 0.00 N ATOM 0 H GLN A 94 13.936 -1.379 4.855 1.00 0.00 H new ATOM 0 HA GLN A 94 12.582 -3.844 4.261 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.526 -2.599 6.533 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.805 -2.303 6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.570 -4.853 6.053 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.258 -4.951 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.044 -3.880 7.728 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.347 -4.360 9.401 1.00 0.00 H new ATOM 1329 N TRP A 95 10.136 -3.148 3.882 1.00 0.00 N ATOM 1330 CA TRP A 95 8.738 -2.795 3.613 1.00 0.00 C ATOM 1331 C TRP A 95 7.846 -3.677 4.477 1.00 0.00 C ATOM 1332 O TRP A 95 8.092 -4.877 4.624 1.00 0.00 O ATOM 1333 CB TRP A 95 8.407 -2.931 2.114 1.00 0.00 C ATOM 1334 CG TRP A 95 8.470 -1.665 1.306 1.00 0.00 C ATOM 1335 CD1 TRP A 95 9.110 -0.528 1.659 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.846 -1.359 0.015 1.00 0.00 C ATOM 1337 NE1 TRP A 95 8.917 0.435 0.704 1.00 0.00 N ATOM 1338 CE2 TRP A 95 8.108 0.002 -0.309 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.085 -2.085 -0.923 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.616 0.624 -1.459 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 6.637 -1.497 -2.123 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.907 -0.144 -2.396 1.00 0.00 C ATOM 0 H TRP A 95 10.329 -4.140 3.741 1.00 0.00 H new ATOM 0 HA TRP A 95 8.562 -1.750 3.869 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.095 -3.653 1.675 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.404 -3.348 2.020 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.689 -0.398 2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.329 1.367 0.744 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.839 -3.116 -0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.779 1.679 -1.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.083 -2.089 -2.837 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.571 0.301 -3.321 1.00 0.00 H new ATOM 1353 N VAL A 96 6.805 -3.077 5.050 1.00 0.00 N ATOM 1354 CA VAL A 96 5.796 -3.683 5.909 1.00 0.00 C ATOM 1355 C VAL A 96 4.502 -2.930 5.578 1.00 0.00 C ATOM 1356 O VAL A 96 4.508 -1.698 5.565 1.00 0.00 O ATOM 1357 CB VAL A 96 6.238 -3.530 7.391 1.00 0.00 C ATOM 1358 CG1 VAL A 96 5.131 -3.781 8.423 1.00 0.00 C ATOM 1359 CG2 VAL A 96 7.407 -4.460 7.751 1.00 0.00 C ATOM 0 H VAL A 96 6.634 -2.081 4.914 1.00 0.00 H new ATOM 0 HA VAL A 96 5.655 -4.752 5.751 1.00 0.00 H new ATOM 0 HB VAL A 96 6.534 -2.483 7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.534 -3.651 9.427 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.318 -3.073 8.264 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.754 -4.798 8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.678 -4.315 8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.109 -5.497 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.264 -4.229 7.118 1.00 0.00 H new ATOM 1369 N VAL A 97 3.412 -3.641 5.276 1.00 0.00 N ATOM 1370 CA VAL A 97 2.087 -3.061 5.053 1.00 0.00 C ATOM 1371 C VAL A 97 1.068 -3.895 5.840 1.00 0.00 C ATOM 1372 O VAL A 97 1.163 -5.130 5.816 1.00 0.00 O ATOM 1373 CB VAL A 97 1.770 -3.016 3.538 1.00 0.00 C ATOM 1374 CG1 VAL A 97 0.511 -2.187 3.248 1.00 0.00 C ATOM 1375 CG2 VAL A 97 2.935 -2.463 2.703 1.00 0.00 C ATOM 0 H VAL A 97 3.428 -4.656 5.178 1.00 0.00 H new ATOM 0 HA VAL A 97 2.046 -2.031 5.407 1.00 0.00 H new ATOM 0 HB VAL A 97 1.600 -4.052 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.320 -2.178 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.342 -2.628 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.659 -1.166 3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.656 -2.455 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.164 -1.447 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.813 -3.094 2.841 1.00 0.00 H new ATOM 1385 N THR A 98 0.111 -3.252 6.517 1.00 0.00 N ATOM 1386 CA THR A 98 -0.928 -3.891 7.325 1.00 0.00 C ATOM 1387 C THR A 98 -2.276 -3.328 6.853 1.00 0.00 C ATOM 1388 O THR A 98 -2.560 -2.140 6.998 1.00 0.00 O ATOM 1389 CB THR A 98 -0.660 -3.628 8.818 1.00 0.00 C ATOM 1390 OG1 THR A 98 0.635 -4.104 9.152 1.00 0.00 O ATOM 1391 CG2 THR A 98 -1.698 -4.331 9.706 1.00 0.00 C ATOM 0 H THR A 98 0.038 -2.235 6.516 1.00 0.00 H new ATOM 0 HA THR A 98 -0.935 -4.974 7.203 1.00 0.00 H new ATOM 0 HB THR A 98 -0.730 -2.554 8.992 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.810 -3.937 10.102 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.480 -4.125 10.754 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.694 -3.962 9.463 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.657 -5.406 9.532 1.00 0.00 H new ATOM 1399 N VAL A 99 -3.072 -4.184 6.221 1.00 0.00 N ATOM 1400 CA VAL A 99 -4.432 -3.990 5.725 1.00 0.00 C ATOM 1401 C VAL A 99 -5.488 -4.413 6.750 1.00 0.00 C ATOM 1402 O VAL A 99 -5.508 -5.567 7.194 1.00 0.00 O ATOM 1403 CB VAL A 99 -4.615 -4.740 4.380 1.00 0.00 C ATOM 1404 CG1 VAL A 99 -4.455 -3.834 3.176 1.00 0.00 C ATOM 1405 CG2 VAL A 99 -3.508 -5.780 4.107 1.00 0.00 C ATOM 0 H VAL A 99 -2.747 -5.130 6.022 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.580 -2.923 5.556 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.610 -5.171 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.594 -4.414 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.199 -3.039 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -3.457 -3.397 3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.696 -6.269 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.540 -5.281 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.506 -6.526 4.902 1.00 0.00 H new ATOM 1415 N TYR A 100 -6.395 -3.490 7.084 1.00 0.00 N ATOM 1416 CA TYR A 100 -7.547 -3.709 7.947 1.00 0.00 C ATOM 1417 C TYR A 100 -8.817 -3.551 7.126 1.00 0.00 C ATOM 1418 O TYR A 100 -8.822 -2.971 6.035 1.00 0.00 O ATOM 1419 CB TYR A 100 -7.583 -2.726 9.138 1.00 0.00 C ATOM 1420 CG TYR A 100 -6.294 -2.525 9.919 1.00 0.00 C ATOM 1421 CD1 TYR A 100 -5.233 -1.807 9.342 1.00 0.00 C ATOM 1422 CD2 TYR A 100 -6.166 -2.999 11.239 1.00 0.00 C ATOM 1423 CE1 TYR A 100 -4.043 -1.606 10.048 1.00 0.00 C ATOM 1424 CE2 TYR A 100 -4.966 -2.814 11.952 1.00 0.00 C ATOM 1425 CZ TYR A 100 -3.895 -2.116 11.351 1.00 0.00 C ATOM 1426 OH TYR A 100 -2.729 -1.888 12.007 1.00 0.00 O ATOM 0 H TYR A 100 -6.339 -2.530 6.743 1.00 0.00 H new ATOM 0 HA TYR A 100 -7.471 -4.716 8.356 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.905 -1.754 8.763 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.349 -3.068 9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -5.338 -1.407 8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.995 -3.508 11.708 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -3.233 -1.057 9.591 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -4.865 -3.204 12.954 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.769 -2.297 12.897 1.00 0.00 H new ATOM 1436 N LYS A 101 -9.924 -4.031 7.683 1.00 0.00 N ATOM 1437 CA LYS A 101 -11.269 -3.713 7.222 1.00 0.00 C ATOM 1438 C LYS A 101 -12.082 -3.357 8.462 1.00 0.00 C ATOM 1439 O LYS A 101 -11.502 -3.068 9.506 1.00 0.00 O ATOM 1440 CB LYS A 101 -11.818 -4.856 6.332 1.00 0.00 C ATOM 1441 CG LYS A 101 -12.490 -4.318 5.051 1.00 0.00 C ATOM 1442 CD LYS A 101 -12.472 -5.308 3.872 1.00 0.00 C ATOM 1443 CE LYS A 101 -13.675 -6.251 3.840 1.00 0.00 C ATOM 1444 NZ LYS A 101 -13.566 -7.237 2.740 1.00 0.00 N ATOM 0 H LYS A 101 -9.910 -4.664 8.483 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.312 -2.849 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.003 -5.527 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.539 -5.444 6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.524 -4.057 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.988 -3.399 4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.437 -4.746 2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.559 -5.901 3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.753 -6.775 4.793 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.590 -5.671 3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.399 -7.860 2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.517 -6.737 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.706 -7.807 2.869 1.00 0.00 H new ATOM 1458 N ASN A 102 -13.410 -3.378 8.361 1.00 0.00 N ATOM 1459 CA ASN A 102 -14.390 -3.018 9.395 1.00 0.00 C ATOM 1460 C ASN A 102 -14.367 -3.889 10.680 1.00 0.00 C ATOM 1461 O ASN A 102 -15.391 -4.020 11.353 1.00 0.00 O ATOM 1462 CB ASN A 102 -15.795 -2.980 8.752 1.00 0.00 C ATOM 1463 CG ASN A 102 -16.228 -4.345 8.216 1.00 0.00 C ATOM 1464 OD1 ASN A 102 -16.715 -5.200 8.946 1.00 0.00 O ATOM 1465 ND2 ASN A 102 -16.035 -4.590 6.926 1.00 0.00 N ATOM 0 H ASN A 102 -13.866 -3.667 7.495 1.00 0.00 H new ATOM 0 HA ASN A 102 -14.103 -2.033 9.763 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -16.520 -2.636 9.490 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -15.800 -2.255 7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.293 -5.496 6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -15.629 -3.872 6.326 1.00 0.00 H new ATOM 1472 N GLY A 103 -13.231 -4.490 11.051 1.00 0.00 N ATOM 1473 CA GLY A 103 -13.010 -5.058 12.375 1.00 0.00 C ATOM 1474 C GLY A 103 -11.557 -4.876 12.803 1.00 0.00 C ATOM 1475 O GLY A 103 -11.296 -4.132 13.748 1.00 0.00 O ATOM 0 H GLY A 103 -12.431 -4.594 10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.670 -4.578 13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -13.262 -6.118 12.368 1.00 0.00 H new ATOM 1479 N LYS A 104 -10.618 -5.542 12.124 1.00 0.00 N ATOM 1480 CA LYS A 104 -9.190 -5.585 12.457 1.00 0.00 C ATOM 1481 C LYS A 104 -8.381 -5.875 11.194 1.00 0.00 C ATOM 1482 O LYS A 104 -8.946 -5.835 10.094 1.00 0.00 O ATOM 1483 CB LYS A 104 -8.935 -6.627 13.558 1.00 0.00 C ATOM 1484 CG LYS A 104 -9.246 -8.065 13.127 1.00 0.00 C ATOM 1485 CD LYS A 104 -8.892 -9.037 14.256 1.00 0.00 C ATOM 1486 CE LYS A 104 -9.461 -10.418 13.936 1.00 0.00 C ATOM 1487 NZ LYS A 104 -10.910 -10.506 14.214 1.00 0.00 N ATOM 0 H LYS A 104 -10.841 -6.089 11.292 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.870 -4.619 12.846 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.892 -6.567 13.868 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.541 -6.379 14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.302 -8.157 12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.680 -8.315 12.230 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.810 -9.096 14.374 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.296 -8.676 15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.280 -10.649 12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.934 -11.170 14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.237 -11.479 14.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.090 -10.246 15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.424 -9.855 13.587 1.00 0.00 H new ATOM 1501 N GLU A 105 -7.077 -6.119 11.333 1.00 0.00 N ATOM 1502 CA GLU A 105 -6.203 -6.479 10.247 1.00 0.00 C ATOM 1503 C GLU A 105 -6.576 -7.869 9.734 1.00 0.00 C ATOM 1504 O GLU A 105 -6.717 -8.819 10.510 1.00 0.00 O ATOM 1505 CB GLU A 105 -4.737 -6.326 10.672 1.00 0.00 C ATOM 1506 CG GLU A 105 -4.022 -7.549 11.266 1.00 0.00 C ATOM 1507 CD GLU A 105 -4.457 -7.903 12.693 1.00 0.00 C ATOM 1508 OE1 GLU A 105 -5.255 -7.166 13.307 1.00 0.00 O ATOM 1509 OE2 GLU A 105 -3.891 -8.882 13.247 1.00 0.00 O ATOM 0 H GLU A 105 -6.600 -6.067 12.233 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.330 -5.800 9.404 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -4.170 -6.000 9.800 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.685 -5.521 11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.201 -8.409 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.948 -7.365 11.261 1.00 0.00 H new ATOM 1516 N ILE A 106 -6.721 -8.003 8.420 1.00 0.00 N ATOM 1517 CA ILE A 106 -7.104 -9.260 7.783 1.00 0.00 C ATOM 1518 C ILE A 106 -6.005 -9.784 6.862 1.00 0.00 C ATOM 1519 O ILE A 106 -6.042 -10.956 6.490 1.00 0.00 O ATOM 1520 CB ILE A 106 -8.457 -9.123 7.058 1.00 0.00 C ATOM 1521 CG1 ILE A 106 -8.416 -8.017 5.977 1.00 0.00 C ATOM 1522 CG2 ILE A 106 -9.583 -8.894 8.086 1.00 0.00 C ATOM 1523 CD1 ILE A 106 -9.588 -8.089 4.998 1.00 0.00 C ATOM 0 H ILE A 106 -6.575 -7.238 7.762 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.232 -10.006 8.567 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.666 -10.054 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -8.417 -7.042 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.481 -8.095 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -10.536 -8.798 7.566 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -9.627 -9.740 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.383 -7.982 8.648 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -9.500 -7.286 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -9.575 -9.051 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -10.525 -7.981 5.544 1.00 0.00 H new ATOM 1535 N GLU A 107 -5.010 -8.962 6.535 1.00 0.00 N ATOM 1536 CA GLU A 107 -3.885 -9.346 5.708 1.00 0.00 C ATOM 1537 C GLU A 107 -2.669 -8.560 6.212 1.00 0.00 C ATOM 1538 O GLU A 107 -2.808 -7.600 6.979 1.00 0.00 O ATOM 1539 CB GLU A 107 -4.260 -9.096 4.234 1.00 0.00 C ATOM 1540 CG GLU A 107 -3.131 -9.422 3.240 1.00 0.00 C ATOM 1541 CD GLU A 107 -3.596 -10.232 2.028 1.00 0.00 C ATOM 1542 OE1 GLU A 107 -4.694 -9.951 1.497 1.00 0.00 O ATOM 1543 OE2 GLU A 107 -2.857 -11.171 1.655 1.00 0.00 O ATOM 0 H GLU A 107 -4.969 -7.992 6.848 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.630 -10.404 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.135 -9.697 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.546 -8.051 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.683 -8.491 2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.350 -9.977 3.760 1.00 0.00 H new ATOM 1550 N LYS A 108 -1.467 -8.960 5.812 1.00 0.00 N ATOM 1551 CA LYS A 108 -0.217 -8.256 6.038 1.00 0.00 C ATOM 1552 C LYS A 108 0.769 -8.804 5.014 1.00 0.00 C ATOM 1553 O LYS A 108 0.696 -9.987 4.680 1.00 0.00 O ATOM 1554 CB LYS A 108 0.266 -8.535 7.474 1.00 0.00 C ATOM 1555 CG LYS A 108 0.343 -7.269 8.324 1.00 0.00 C ATOM 1556 CD LYS A 108 0.759 -7.557 9.769 1.00 0.00 C ATOM 1557 CE LYS A 108 2.190 -8.100 9.919 1.00 0.00 C ATOM 1558 NZ LYS A 108 3.198 -7.039 9.713 1.00 0.00 N ATOM 0 H LYS A 108 -1.335 -9.829 5.295 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.322 -7.177 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.410 -9.246 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.249 -9.004 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.056 -6.577 7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.628 -6.774 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.668 -6.640 10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.063 -8.277 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.314 -8.532 10.912 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.353 -8.902 9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.151 -7.440 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.095 -6.644 8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.057 -6.285 10.416 1.00 0.00 H new ATOM 1572 N LYS A 109 1.699 -7.975 4.543 1.00 0.00 N ATOM 1573 CA LYS A 109 2.844 -8.426 3.754 1.00 0.00 C ATOM 1574 C LYS A 109 4.067 -7.614 4.126 1.00 0.00 C ATOM 1575 O LYS A 109 3.943 -6.440 4.488 1.00 0.00 O ATOM 1576 CB LYS A 109 2.565 -8.289 2.244 1.00 0.00 C ATOM 1577 CG LYS A 109 2.202 -9.631 1.603 1.00 0.00 C ATOM 1578 CD LYS A 109 3.423 -10.554 1.440 1.00 0.00 C ATOM 1579 CE LYS A 109 3.048 -11.992 1.056 1.00 0.00 C ATOM 1580 NZ LYS A 109 2.162 -12.632 2.050 1.00 0.00 N ATOM 0 H LYS A 109 1.679 -6.967 4.699 1.00 0.00 H new ATOM 0 HA LYS A 109 3.021 -9.479 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.751 -7.581 2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 109 3.444 -7.877 1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.451 -10.131 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.751 -9.454 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.083 -10.141 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.986 -10.569 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.555 -11.988 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.957 -12.585 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.156 -13.661 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.509 -12.426 3.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.196 -12.261 1.944 1.00 0.00 H new ATOM 1594 N SER A 110 5.240 -8.219 4.026 1.00 0.00 N ATOM 1595 CA SER A 110 6.510 -7.607 4.313 1.00 0.00 C ATOM 1596 C SER A 110 7.554 -8.089 3.299 1.00 0.00 C ATOM 1597 O SER A 110 7.389 -9.152 2.692 1.00 0.00 O ATOM 1598 CB SER A 110 6.865 -7.924 5.773 1.00 0.00 C ATOM 1599 OG SER A 110 6.228 -9.078 6.316 1.00 0.00 O ATOM 0 H SER A 110 5.327 -9.191 3.729 1.00 0.00 H new ATOM 0 HA SER A 110 6.476 -6.522 4.210 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.944 -8.056 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 110 6.606 -7.062 6.388 1.00 0.00 H new ATOM 0 HG SER A 110 6.514 -9.203 7.245 1.00 0.00 H new ATOM 1605 N LEU A 111 8.618 -7.308 3.115 1.00 0.00 N ATOM 1606 CA LEU A 111 9.739 -7.572 2.217 1.00 0.00 C ATOM 1607 C LEU A 111 11.001 -7.023 2.879 1.00 0.00 C ATOM 1608 O LEU A 111 10.964 -5.959 3.502 1.00 0.00 O ATOM 1609 CB LEU A 111 9.470 -6.916 0.844 1.00 0.00 C ATOM 1610 CG LEU A 111 10.704 -6.794 -0.079 1.00 0.00 C ATOM 1611 CD1 LEU A 111 10.315 -6.950 -1.551 1.00 0.00 C ATOM 1612 CD2 LEU A 111 11.411 -5.439 0.063 1.00 0.00 C ATOM 0 H LEU A 111 8.726 -6.426 3.616 1.00 0.00 H new ATOM 0 HA LEU A 111 9.867 -8.640 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 111 8.705 -7.494 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.060 -5.920 1.009 1.00 0.00 H new ATOM 0 HG LEU A 111 11.378 -7.593 0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.205 -6.859 -2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.862 -7.929 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 111 9.601 -6.173 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.270 -5.405 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.718 -4.638 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.747 -5.310 1.092 1.00 0.00 H new ATOM 1827 N ASN A 125 -0.601 -8.909 -5.859 1.00 0.00 N ATOM 1828 CA ASN A 125 -1.695 -8.202 -6.532 1.00 0.00 C ATOM 1829 C ASN A 125 -2.986 -8.249 -5.675 1.00 0.00 C ATOM 1830 O ASN A 125 -3.932 -8.971 -6.017 1.00 0.00 O ATOM 1831 CB ASN A 125 -1.888 -8.802 -7.951 1.00 0.00 C ATOM 1832 CG ASN A 125 -2.081 -7.741 -9.023 1.00 0.00 C ATOM 1833 OD1 ASN A 125 -1.096 -7.234 -9.551 1.00 0.00 O ATOM 1834 ND2 ASN A 125 -3.305 -7.427 -9.415 1.00 0.00 N ATOM 0 HA ASN A 125 -1.447 -7.147 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.020 -9.412 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.753 -9.466 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -3.442 -6.753 -10.168 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -4.111 -7.859 -8.964 1.00 0.00 H new ATOM 1841 N LEU A 126 -3.047 -7.566 -4.521 1.00 0.00 N ATOM 1842 CA LEU A 126 -4.223 -7.620 -3.632 1.00 0.00 C ATOM 1843 C LEU A 126 -5.275 -6.610 -4.115 1.00 0.00 C ATOM 1844 O LEU A 126 -4.912 -5.473 -4.427 1.00 0.00 O ATOM 1845 CB LEU A 126 -3.881 -7.342 -2.154 1.00 0.00 C ATOM 1846 CG LEU A 126 -2.595 -7.996 -1.607 1.00 0.00 C ATOM 1847 CD1 LEU A 126 -2.329 -7.558 -0.165 1.00 0.00 C ATOM 1848 CD2 LEU A 126 -2.666 -9.518 -1.627 1.00 0.00 C ATOM 0 H LEU A 126 -2.295 -6.968 -4.179 1.00 0.00 H new ATOM 0 HA LEU A 126 -4.612 -8.637 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -3.798 -6.263 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -4.719 -7.675 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 126 -1.789 -7.666 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -1.417 -8.033 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.213 -6.475 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.167 -7.854 0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.738 -9.931 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -3.502 -9.851 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -2.810 -9.862 -2.651 1.00 0.00 H new ATOM 1860 N TYR A 127 -6.562 -6.978 -4.137 1.00 0.00 N ATOM 1861 CA TYR A 127 -7.657 -6.101 -4.570 1.00 0.00 C ATOM 1862 C TYR A 127 -8.862 -6.278 -3.637 1.00 0.00 C ATOM 1863 O TYR A 127 -9.267 -7.412 -3.360 1.00 0.00 O ATOM 1864 CB TYR A 127 -8.028 -6.399 -6.038 1.00 0.00 C ATOM 1865 CG TYR A 127 -8.294 -5.148 -6.857 1.00 0.00 C ATOM 1866 CD1 TYR A 127 -9.446 -4.371 -6.632 1.00 0.00 C ATOM 1867 CD2 TYR A 127 -7.367 -4.742 -7.835 1.00 0.00 C ATOM 1868 CE1 TYR A 127 -9.662 -3.190 -7.366 1.00 0.00 C ATOM 1869 CE2 TYR A 127 -7.581 -3.570 -8.579 1.00 0.00 C ATOM 1870 CZ TYR A 127 -8.728 -2.781 -8.343 1.00 0.00 C ATOM 1871 OH TYR A 127 -8.928 -1.630 -9.042 1.00 0.00 O ATOM 0 H TYR A 127 -6.876 -7.905 -3.851 1.00 0.00 H new ATOM 0 HA TYR A 127 -7.335 -5.061 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -7.219 -6.964 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -8.914 -7.034 -6.060 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -10.168 -4.683 -5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.484 -5.337 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -10.544 -2.595 -7.182 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.867 -3.272 -9.333 1.00 0.00 H new ATOM 0 HH TYR A 127 -9.882 -1.406 -9.037 1.00 0.00 H new ATOM 1881 N TYR A 128 -9.443 -5.170 -3.168 1.00 0.00 N ATOM 1882 CA TYR A 128 -10.456 -5.122 -2.118 1.00 0.00 C ATOM 1883 C TYR A 128 -11.624 -4.231 -2.547 1.00 0.00 C ATOM 1884 O TYR A 128 -11.605 -3.007 -2.375 1.00 0.00 O ATOM 1885 CB TYR A 128 -9.853 -4.578 -0.823 1.00 0.00 C ATOM 1886 CG TYR A 128 -8.707 -5.358 -0.222 1.00 0.00 C ATOM 1887 CD1 TYR A 128 -8.962 -6.397 0.692 1.00 0.00 C ATOM 1888 CD2 TYR A 128 -7.383 -4.994 -0.521 1.00 0.00 C ATOM 1889 CE1 TYR A 128 -7.898 -7.081 1.307 1.00 0.00 C ATOM 1890 CE2 TYR A 128 -6.319 -5.672 0.093 1.00 0.00 C ATOM 1891 CZ TYR A 128 -6.567 -6.715 1.008 1.00 0.00 C ATOM 1892 OH TYR A 128 -5.508 -7.331 1.596 1.00 0.00 O ATOM 0 H TYR A 128 -9.208 -4.245 -3.527 1.00 0.00 H new ATOM 0 HA TYR A 128 -10.820 -6.135 -1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -9.510 -3.561 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -10.647 -4.515 -0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -9.981 -6.671 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -7.185 -4.195 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -8.098 -7.882 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -5.302 -5.392 -0.137 1.00 0.00 H new ATOM 0 HH TYR A 128 -5.507 -8.281 1.354 1.00 0.00 H new ATOM 1902 N ASN A 129 -12.663 -4.847 -3.086 1.00 0.00 N ATOM 1903 CA ASN A 129 -13.909 -4.214 -3.509 1.00 0.00 C ATOM 1904 C ASN A 129 -15.062 -5.137 -3.166 1.00 0.00 C ATOM 1905 O ASN A 129 -16.195 -4.912 -3.634 1.00 0.00 O ATOM 1906 CB ASN A 129 -13.861 -3.883 -5.011 1.00 0.00 C ATOM 1907 CG ASN A 129 -13.456 -5.051 -5.905 1.00 0.00 C ATOM 1908 OD1 ASN A 129 -13.642 -6.217 -5.567 1.00 0.00 O ATOM 1909 ND2 ASN A 129 -12.842 -4.747 -7.032 1.00 0.00 N ATOM 0 H ASN A 129 -12.664 -5.854 -3.250 1.00 0.00 H new ATOM 0 HA ASN A 129 -14.051 -3.270 -2.984 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -14.843 -3.527 -5.323 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -13.160 -3.063 -5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -12.508 -5.489 -7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -12.701 -3.770 -7.288 1.00 0.00 H new