USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 933 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 27 THR OG1 : rot 130:sc= 0.0338 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.622 X(o=-0.59,f=-0.7) USER MOD Set 2.1: A 30 LYS NZ :NH3+ 174:sc= -0.266 (180deg=-0.315) USER MOD Set 2.2: A 46 THR OG1 : rot 98:sc= 1.03 USER MOD Set 3.1: A 36 CYS SG : rot -136:sc= 1.59 USER MOD Set 3.2: A 39 CYS SG : rot 150:sc= 0.385 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 109:sc= 0.00788 USER MOD Single : A 14 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.019) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00135 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 82:sc= 1.06 USER MOD Single : A 41 SER OG : rot -27:sc= 0.684 USER MOD Single : A 45 GLN : amide:sc= -1.56 X(o=-1.6,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -97:sc= -0.193 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.21) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -2.12! C(o=-2.1!,f=-5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00524 USER MOD Single : A 95 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.0518 K(o=-0.052,f=-1.1) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.858 X(o=-0.86,f=-1.2) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 110 SER OG : rot 112:sc= 1.19 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -2.44 K(o=-2.4,f=-8.6!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.526 USER MOD Single : A 129 ASN : amide:sc= 0.481 K(o=0.48,f=-8.1!) USER MOD Single : A 132 GLN : amide:sc= -0.909 K(o=-0.91,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.110 -1.341 12.522 1.00 0.00 N ATOM 125 CA LEU A 9 0.865 -0.082 11.837 1.00 0.00 C ATOM 126 C LEU A 9 -0.641 0.180 11.784 1.00 0.00 C ATOM 127 O LEU A 9 -1.441 -0.748 11.897 1.00 0.00 O ATOM 128 CB LEU A 9 1.540 -0.080 10.464 1.00 0.00 C ATOM 129 CG LEU A 9 2.897 0.621 10.385 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.743 2.133 10.562 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.883 0.022 11.389 1.00 0.00 C ATOM 0 HA LEU A 9 1.313 0.746 12.387 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.668 -1.114 10.143 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.866 0.394 9.751 1.00 0.00 H new ATOM 0 HG LEU A 9 3.311 0.454 9.391 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.722 2.608 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.099 2.528 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.298 2.342 11.535 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.840 0.539 11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.489 0.137 12.399 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.024 -1.037 11.173 1.00 0.00 H new ATOM 143 N LYS A 10 -0.983 1.448 11.613 1.00 0.00 N ATOM 144 CA LYS A 10 -2.380 1.844 11.543 1.00 0.00 C ATOM 145 C LYS A 10 -2.609 2.665 10.273 1.00 0.00 C ATOM 146 O LYS A 10 -1.675 3.260 9.736 1.00 0.00 O ATOM 147 CB LYS A 10 -2.796 2.566 12.826 1.00 0.00 C ATOM 148 CG LYS A 10 -2.794 1.607 14.019 1.00 0.00 C ATOM 149 CD LYS A 10 -2.644 2.372 15.336 1.00 0.00 C ATOM 150 CE LYS A 10 -1.956 1.510 16.395 1.00 0.00 C ATOM 151 NZ LYS A 10 -1.032 2.328 17.211 1.00 0.00 N ATOM 0 H LYS A 10 -0.317 2.215 11.521 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.023 0.966 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.114 3.394 13.019 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.790 2.994 12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.721 1.033 14.031 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.978 0.892 13.914 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.065 3.280 15.169 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.626 2.681 15.695 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.705 1.047 17.038 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.406 0.702 15.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.574 1.726 17.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.307 2.750 16.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.565 3.084 17.686 1.00 0.00 H new ATOM 164 N THR A 11 -3.857 2.675 9.829 1.00 0.00 N ATOM 165 CA THR A 11 -4.222 3.414 8.634 1.00 0.00 C ATOM 166 C THR A 11 -4.565 4.864 8.985 1.00 0.00 C ATOM 167 O THR A 11 -4.574 5.235 10.157 1.00 0.00 O ATOM 168 CB THR A 11 -5.368 2.668 7.947 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.225 2.287 9.019 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.918 1.337 7.339 1.00 0.00 C ATOM 0 H THR A 11 -4.629 2.182 10.277 1.00 0.00 H new ATOM 0 HA THR A 11 -3.387 3.471 7.936 1.00 0.00 H new ATOM 0 HB THR A 11 -5.796 3.298 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.043 2.825 8.991 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.768 0.848 6.864 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.143 1.520 6.595 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.522 0.694 8.125 1.00 0.00 H new ATOM 178 N ALA A 12 -4.841 5.641 7.948 1.00 0.00 N ATOM 179 CA ALA A 12 -5.184 7.040 8.134 1.00 0.00 C ATOM 180 C ALA A 12 -6.584 7.142 8.743 1.00 0.00 C ATOM 181 O ALA A 12 -6.994 8.211 9.191 1.00 0.00 O ATOM 182 CB ALA A 12 -5.076 7.774 6.795 1.00 0.00 C ATOM 0 H ALA A 12 -4.834 5.328 6.977 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.489 7.517 8.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.333 8.824 6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.056 7.697 6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.762 7.324 6.077 1.00 0.00 H new ATOM 188 N ASP A 13 -7.278 6.013 8.740 1.00 0.00 N ATOM 189 CA ASP A 13 -8.624 5.962 9.287 1.00 0.00 C ATOM 190 C ASP A 13 -8.578 5.344 10.686 1.00 0.00 C ATOM 191 O ASP A 13 -9.555 4.752 11.140 1.00 0.00 O ATOM 192 CB ASP A 13 -9.538 5.096 8.419 1.00 0.00 C ATOM 193 CG ASP A 13 -9.331 3.587 8.564 1.00 0.00 C ATOM 194 OD1 ASP A 13 -8.324 3.032 8.098 1.00 0.00 O ATOM 195 OD2 ASP A 13 -10.267 2.965 9.198 1.00 0.00 O ATOM 0 H ASP A 13 -6.934 5.128 8.368 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.014 6.979 9.319 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.574 5.330 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.387 5.369 7.375 1.00 0.00 H new ATOM 201 N ASN A 14 -7.431 5.504 11.331 1.00 0.00 N ATOM 202 CA ASN A 14 -7.244 4.970 12.669 1.00 0.00 C ATOM 203 C ASN A 14 -7.754 3.527 12.714 1.00 0.00 C ATOM 204 O ASN A 14 -8.696 3.221 13.443 1.00 0.00 O ATOM 205 CB ASN A 14 -8.031 5.781 13.701 1.00 0.00 C ATOM 206 CG ASN A 14 -7.106 6.708 14.491 1.00 0.00 C ATOM 207 OD1 ASN A 14 -7.256 7.919 14.501 1.00 0.00 O ATOM 208 ND2 ASN A 14 -6.141 6.074 15.151 1.00 0.00 N ATOM 0 H ASN A 14 -6.622 5.996 10.951 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.181 5.019 12.906 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.798 6.370 13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.545 5.105 14.385 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.471 6.604 15.708 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.071 5.058 15.100 1.00 0.00 H new ATOM 215 N ARG A 15 -7.109 2.681 11.925 1.00 0.00 N ATOM 216 CA ARG A 15 -7.485 1.278 11.866 1.00 0.00 C ATOM 217 C ARG A 15 -6.237 0.394 11.891 1.00 0.00 C ATOM 218 O ARG A 15 -5.176 0.795 11.415 1.00 0.00 O ATOM 219 CB ARG A 15 -8.290 0.978 10.599 1.00 0.00 C ATOM 220 CG ARG A 15 -9.711 0.529 10.947 1.00 0.00 C ATOM 221 CD ARG A 15 -10.280 -0.380 9.857 1.00 0.00 C ATOM 222 NE ARG A 15 -11.462 0.256 9.234 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.719 0.158 9.720 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.967 -0.554 10.839 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.700 0.767 9.082 1.00 0.00 N ATOM 0 H ARG A 15 -6.329 2.939 11.321 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.105 1.062 12.736 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.329 1.867 9.970 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.790 0.200 10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.706 0.001 11.900 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.352 1.402 11.069 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.520 -0.574 9.100 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.558 -1.344 10.284 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.319 0.802 8.385 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.203 -1.023 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.919 -0.623 11.199 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.504 1.301 8.236 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.655 0.703 9.435 1.00 0.00 H new ATOM 238 N PRO A 16 -6.410 -0.826 12.467 1.00 0.00 N ATOM 239 CA PRO A 16 -5.310 -1.772 12.560 1.00 0.00 C ATOM 240 C PRO A 16 -5.024 -2.415 11.202 1.00 0.00 C ATOM 241 O PRO A 16 -5.897 -3.053 10.616 1.00 0.00 O ATOM 242 CB PRO A 16 -5.746 -2.777 13.614 1.00 0.00 C ATOM 243 CG PRO A 16 -7.254 -2.629 13.735 1.00 0.00 C ATOM 244 CD PRO A 16 -7.651 -1.336 13.041 1.00 0.00 C ATOM 0 HA PRO A 16 -4.370 -1.299 12.844 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.476 -3.792 13.321 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.257 -2.579 14.568 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.759 -3.479 13.277 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.553 -2.607 14.783 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.400 -1.515 12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.083 -0.625 13.746 1.00 0.00 H new ATOM 252 N ALA A 17 -3.797 -2.227 10.742 1.00 0.00 N ATOM 253 CA ALA A 17 -3.382 -2.781 9.463 1.00 0.00 C ATOM 254 C ALA A 17 -3.431 -4.308 9.535 1.00 0.00 C ATOM 255 O ALA A 17 -3.540 -4.977 8.509 1.00 0.00 O ATOM 256 CB ALA A 17 -1.989 -2.257 9.106 1.00 0.00 C ATOM 0 H ALA A 17 -3.075 -1.698 11.232 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.060 -2.466 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.679 -2.673 8.147 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.016 -1.169 9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.279 -2.555 9.878 1.00 0.00 H new ATOM 262 N SER A 18 -3.346 -4.814 10.757 1.00 0.00 N ATOM 263 CA SER A 18 -3.380 -6.250 10.975 1.00 0.00 C ATOM 264 C SER A 18 -4.735 -6.814 10.545 1.00 0.00 C ATOM 265 O SER A 18 -4.837 -7.986 10.185 1.00 0.00 O ATOM 266 CB SER A 18 -3.105 -6.591 12.442 1.00 0.00 C ATOM 267 OG SER A 18 -3.878 -5.789 13.330 1.00 0.00 O ATOM 0 H SER A 18 -3.254 -4.255 11.605 1.00 0.00 H new ATOM 0 HA SER A 18 -2.596 -6.706 10.370 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.327 -7.644 12.617 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.045 -6.449 12.655 1.00 0.00 H new ATOM 0 HG SER A 18 -3.675 -6.038 14.256 1.00 0.00 H new ATOM 273 N VAL A 19 -5.741 -5.954 10.597 1.00 0.00 N ATOM 274 CA VAL A 19 -7.085 -6.352 10.217 1.00 0.00 C ATOM 275 C VAL A 19 -7.075 -6.853 8.771 1.00 0.00 C ATOM 276 O VAL A 19 -7.764 -7.817 8.439 1.00 0.00 O ATOM 277 CB VAL A 19 -8.058 -5.191 10.438 1.00 0.00 C ATOM 278 CG1 VAL A 19 -8.369 -4.476 9.123 1.00 0.00 C ATOM 279 CG2 VAL A 19 -9.340 -5.673 11.118 1.00 0.00 C ATOM 0 H VAL A 19 -5.652 -4.983 10.897 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.430 -7.173 10.845 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.576 -4.473 11.102 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.062 -3.656 9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.447 -4.081 8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.820 -5.180 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.014 -4.829 11.263 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.825 -6.421 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.096 -6.113 12.085 1.00 0.00 H new ATOM 289 N TYR A 20 -6.286 -6.177 7.949 1.00 0.00 N ATOM 290 CA TYR A 20 -6.177 -6.543 6.546 1.00 0.00 C ATOM 291 C TYR A 20 -5.129 -7.637 6.346 1.00 0.00 C ATOM 292 O TYR A 20 -4.842 -8.027 5.214 1.00 0.00 O ATOM 293 CB TYR A 20 -5.723 -5.277 5.817 1.00 0.00 C ATOM 294 CG TYR A 20 -6.870 -4.354 5.397 1.00 0.00 C ATOM 295 CD1 TYR A 20 -7.669 -4.691 4.324 1.00 0.00 C ATOM 296 CD2 TYR A 20 -7.104 -3.186 6.093 1.00 0.00 C ATOM 297 CE1 TYR A 20 -8.749 -3.821 3.930 1.00 0.00 C ATOM 298 CE2 TYR A 20 -8.183 -2.318 5.699 1.00 0.00 C ATOM 299 CZ TYR A 20 -8.952 -2.678 4.637 1.00 0.00 C ATOM 300 OH TYR A 20 -9.970 -1.857 4.266 1.00 0.00 O ATOM 0 H TYR A 20 -5.716 -5.378 8.227 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.127 -6.923 6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.042 -4.723 6.463 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.158 -5.564 4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.486 -5.606 3.780 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.478 -2.923 6.933 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.382 -4.072 3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -8.377 -1.401 6.235 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.997 -1.079 4.862 1.00 0.00 H new ATOM 310 N LEU A 21 -4.583 -8.102 7.460 1.00 0.00 N ATOM 311 CA LEU A 21 -3.573 -9.145 7.420 1.00 0.00 C ATOM 312 C LEU A 21 -4.112 -10.399 8.114 1.00 0.00 C ATOM 313 O LEU A 21 -4.352 -10.391 9.320 1.00 0.00 O ATOM 314 CB LEU A 21 -2.255 -8.636 8.007 1.00 0.00 C ATOM 315 CG LEU A 21 -1.022 -8.783 7.112 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.896 -10.212 6.583 1.00 0.00 C ATOM 317 CD2 LEU A 21 -1.040 -7.752 5.982 1.00 0.00 C ATOM 0 H LEU A 21 -4.821 -7.775 8.396 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.351 -9.421 6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.374 -7.582 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.067 -9.166 8.941 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.136 -8.584 7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.012 -10.289 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.804 -10.903 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.782 -10.464 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.153 -7.878 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.933 -7.895 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.047 -6.748 6.406 1.00 0.00 H new ATOM 329 N LYS A 22 -4.287 -11.446 7.321 1.00 0.00 N ATOM 330 CA LYS A 22 -4.793 -12.703 7.844 1.00 0.00 C ATOM 331 C LYS A 22 -5.142 -13.631 6.679 1.00 0.00 C ATOM 332 O LYS A 22 -4.923 -13.287 5.518 1.00 0.00 O ATOM 333 CB LYS A 22 -5.958 -12.456 8.802 1.00 0.00 C ATOM 334 CG LYS A 22 -5.503 -12.561 10.259 1.00 0.00 C ATOM 335 CD LYS A 22 -5.864 -13.926 10.849 1.00 0.00 C ATOM 336 CE LYS A 22 -6.986 -13.796 11.882 1.00 0.00 C ATOM 337 NZ LYS A 22 -8.271 -14.256 11.310 1.00 0.00 N ATOM 0 H LYS A 22 -4.087 -11.449 6.321 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.027 -13.205 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.380 -11.468 8.620 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.750 -13.181 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.425 -12.408 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.970 -11.771 10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.175 -14.600 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.984 -14.369 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.744 -14.384 12.767 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.075 -12.758 12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.022 -14.161 12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.508 -13.677 10.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.187 -15.253 11.025 1.00 0.00 H new ATOM 350 N LYS A 23 -5.679 -14.791 7.027 1.00 0.00 N ATOM 351 CA LYS A 23 -6.061 -15.771 6.024 1.00 0.00 C ATOM 352 C LYS A 23 -4.806 -16.279 5.310 1.00 0.00 C ATOM 353 O LYS A 23 -4.882 -16.755 4.178 1.00 0.00 O ATOM 354 CB LYS A 23 -7.114 -15.188 5.079 1.00 0.00 C ATOM 355 CG LYS A 23 -8.252 -16.184 4.846 1.00 0.00 C ATOM 356 CD LYS A 23 -9.219 -15.669 3.777 1.00 0.00 C ATOM 357 CE LYS A 23 -10.468 -15.060 4.417 1.00 0.00 C ATOM 358 NZ LYS A 23 -11.616 -15.987 4.300 1.00 0.00 N ATOM 0 H LYS A 23 -5.859 -15.075 7.990 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.532 -16.634 6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.514 -14.265 5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.651 -14.930 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.842 -17.146 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.791 -16.352 5.779 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.720 -14.921 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.506 -16.487 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.276 -14.841 5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.707 -14.113 3.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.455 -15.558 4.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.809 -16.175 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.391 -16.880 4.783 1.00 0.00 H new ATOM 371 N ASP A 24 -3.682 -16.159 6.001 1.00 0.00 N ATOM 372 CA ASP A 24 -2.413 -16.600 5.448 1.00 0.00 C ATOM 373 C ASP A 24 -2.360 -16.247 3.959 1.00 0.00 C ATOM 374 O ASP A 24 -1.875 -17.034 3.148 1.00 0.00 O ATOM 375 CB ASP A 24 -2.253 -18.116 5.578 1.00 0.00 C ATOM 376 CG ASP A 24 -2.497 -18.674 6.982 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.555 -19.254 7.263 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.532 -18.488 7.818 1.00 0.00 O ATOM 0 H ASP A 24 -3.624 -15.763 6.939 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.615 -16.103 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.943 -18.600 4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.245 -18.388 5.265 1.00 0.00 H new ATOM 384 N LYS A 25 -2.867 -15.063 3.647 1.00 0.00 N ATOM 385 CA LYS A 25 -2.884 -14.597 2.271 1.00 0.00 C ATOM 386 C LYS A 25 -1.750 -13.592 2.064 1.00 0.00 C ATOM 387 O LYS A 25 -1.208 -13.054 3.029 1.00 0.00 O ATOM 388 CB LYS A 25 -4.266 -14.047 1.909 1.00 0.00 C ATOM 389 CG LYS A 25 -5.210 -15.174 1.485 1.00 0.00 C ATOM 390 CD LYS A 25 -6.412 -14.623 0.716 1.00 0.00 C ATOM 391 CE LYS A 25 -6.900 -15.628 -0.330 1.00 0.00 C ATOM 392 NZ LYS A 25 -8.295 -16.033 -0.046 1.00 0.00 N ATOM 0 H LYS A 25 -3.269 -14.413 4.323 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.706 -15.426 1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.686 -13.518 2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.173 -13.322 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.672 -15.889 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.555 -15.715 2.366 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.220 -14.395 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.138 -13.688 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.838 -15.186 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.253 -16.505 -0.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.612 -16.715 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.344 -16.473 0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.911 -15.195 -0.069 1.00 0.00 H new ATOM 405 N PRO A 26 -1.416 -13.360 0.766 1.00 0.00 N ATOM 406 CA PRO A 26 -0.355 -12.429 0.420 1.00 0.00 C ATOM 407 C PRO A 26 -0.818 -10.981 0.594 1.00 0.00 C ATOM 408 O PRO A 26 -2.016 -10.701 0.556 1.00 0.00 O ATOM 409 CB PRO A 26 0.013 -12.768 -1.016 1.00 0.00 C ATOM 410 CG PRO A 26 -1.162 -13.555 -1.572 1.00 0.00 C ATOM 411 CD PRO A 26 -2.036 -13.978 -0.402 1.00 0.00 C ATOM 0 HA PRO A 26 0.514 -12.520 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.188 -11.863 -1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.930 -13.355 -1.056 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.732 -12.946 -2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.811 -14.428 -2.121 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.063 -13.638 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.070 -15.063 -0.305 1.00 0.00 H new ATOM 419 N THR A 27 0.154 -10.102 0.781 1.00 0.00 N ATOM 420 CA THR A 27 -0.139 -8.690 0.960 1.00 0.00 C ATOM 421 C THR A 27 0.729 -7.841 0.028 1.00 0.00 C ATOM 422 O THR A 27 1.900 -8.150 -0.186 1.00 0.00 O ATOM 423 CB THR A 27 0.049 -8.353 2.441 1.00 0.00 C ATOM 424 OG1 THR A 27 -0.768 -9.302 3.120 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.560 -7.000 2.815 1.00 0.00 C ATOM 0 H THR A 27 1.145 -10.339 0.813 1.00 0.00 H new ATOM 0 HA THR A 27 -1.170 -8.462 0.688 1.00 0.00 H new ATOM 0 HB THR A 27 1.112 -8.351 2.681 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.247 -9.734 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.399 -6.809 3.876 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.086 -6.213 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.630 -7.013 2.607 1.00 0.00 H new ATOM 433 N LEU A 28 0.121 -6.790 -0.499 1.00 0.00 N ATOM 434 CA LEU A 28 0.823 -5.896 -1.404 1.00 0.00 C ATOM 435 C LEU A 28 0.700 -4.460 -0.891 1.00 0.00 C ATOM 436 O LEU A 28 -0.396 -4.001 -0.576 1.00 0.00 O ATOM 437 CB LEU A 28 0.323 -6.081 -2.839 1.00 0.00 C ATOM 438 CG LEU A 28 0.775 -5.024 -3.848 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.203 -5.297 -4.325 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.209 -4.925 -5.016 1.00 0.00 C ATOM 0 H LEU A 28 -0.850 -6.537 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 28 1.886 -6.138 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.652 -7.058 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.767 -6.098 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 28 0.781 -4.055 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.500 -4.531 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.881 -5.278 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.246 -6.276 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.136 -4.166 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.270 -5.888 -5.523 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.194 -4.650 -4.639 1.00 0.00 H new ATOM 452 N ILE A 29 1.842 -3.790 -0.823 1.00 0.00 N ATOM 453 CA ILE A 29 1.875 -2.415 -0.353 1.00 0.00 C ATOM 454 C ILE A 29 2.201 -1.488 -1.527 1.00 0.00 C ATOM 455 O ILE A 29 2.902 -1.882 -2.458 1.00 0.00 O ATOM 456 CB ILE A 29 2.840 -2.275 0.826 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.454 -3.221 1.965 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.929 -0.821 1.292 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.104 -4.592 1.784 1.00 0.00 C ATOM 0 H ILE A 29 2.750 -4.173 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 29 0.898 -2.119 0.028 1.00 0.00 H new ATOM 0 HB ILE A 29 3.835 -2.566 0.490 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.762 -2.792 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.370 -3.330 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.621 -0.749 2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.286 -0.197 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.943 -0.478 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.813 -5.244 2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.775 -5.029 0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.188 -4.482 1.774 1.00 0.00 H new ATOM 471 N LYS A 30 1.676 -0.275 -1.444 1.00 0.00 N ATOM 472 CA LYS A 30 1.902 0.712 -2.487 1.00 0.00 C ATOM 473 C LYS A 30 2.158 2.078 -1.845 1.00 0.00 C ATOM 474 O LYS A 30 1.303 2.607 -1.138 1.00 0.00 O ATOM 475 CB LYS A 30 0.741 0.711 -3.485 1.00 0.00 C ATOM 476 CG LYS A 30 0.944 1.775 -4.564 1.00 0.00 C ATOM 477 CD LYS A 30 -0.390 2.385 -4.991 1.00 0.00 C ATOM 478 CE LYS A 30 -0.292 3.910 -5.088 1.00 0.00 C ATOM 479 NZ LYS A 30 -1.345 4.550 -4.268 1.00 0.00 N ATOM 0 H LYS A 30 1.094 0.048 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 30 2.791 0.459 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.657 -0.271 -3.950 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.196 0.896 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.602 2.558 -4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.438 1.331 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.689 1.975 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.164 2.112 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.691 4.239 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.393 4.221 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.203 5.580 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.279 4.331 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.294 4.189 -3.294 1.00 0.00 H new ATOM 492 N PHE A 31 3.341 2.608 -2.115 1.00 0.00 N ATOM 493 CA PHE A 31 3.724 3.901 -1.573 1.00 0.00 C ATOM 494 C PHE A 31 3.349 5.031 -2.535 1.00 0.00 C ATOM 495 O PHE A 31 3.645 4.960 -3.726 1.00 0.00 O ATOM 496 CB PHE A 31 5.242 3.881 -1.395 1.00 0.00 C ATOM 497 CG PHE A 31 5.768 2.641 -0.667 1.00 0.00 C ATOM 498 CD1 PHE A 31 6.010 1.498 -1.360 1.00 0.00 C ATOM 499 CD2 PHE A 31 5.992 2.685 0.674 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.497 0.348 -0.685 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.480 1.536 1.349 1.00 0.00 C ATOM 502 CZ PHE A 31 6.722 0.390 0.656 1.00 0.00 C ATOM 0 H PHE A 31 4.048 2.166 -2.702 1.00 0.00 H new ATOM 0 HA PHE A 31 3.207 4.076 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.713 3.941 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.544 4.770 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.832 1.464 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.799 3.594 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.689 -0.561 -1.236 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.659 1.571 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.092 -0.485 1.170 1.00 0.00 H new ATOM 512 N TRP A 32 2.704 6.047 -1.981 1.00 0.00 N ATOM 513 CA TRP A 32 2.287 7.191 -2.775 1.00 0.00 C ATOM 514 C TRP A 32 2.647 8.459 -2.001 1.00 0.00 C ATOM 515 O TRP A 32 2.981 8.397 -0.820 1.00 0.00 O ATOM 516 CB TRP A 32 0.799 7.103 -3.122 1.00 0.00 C ATOM 517 CG TRP A 32 -0.115 6.940 -1.905 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.218 5.884 -1.086 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.056 7.911 -1.400 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.152 6.104 -0.095 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.679 7.376 -0.291 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.371 9.201 -1.865 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.654 8.057 0.444 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.348 9.870 -1.118 1.00 0.00 C ATOM 525 CH2 TRP A 32 -2.985 9.343 0.000 1.00 0.00 C ATOM 0 H TRP A 32 2.460 6.102 -0.992 1.00 0.00 H new ATOM 0 HA TRP A 32 2.808 7.208 -3.732 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.509 8.003 -3.664 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.643 6.261 -3.796 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.357 4.976 -1.189 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.409 5.452 0.646 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.897 9.640 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.127 7.615 1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.626 10.865 -1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.731 9.923 0.523 1.00 0.00 H new ATOM 536 N ALA A 33 2.566 9.583 -2.699 1.00 0.00 N ATOM 537 CA ALA A 33 2.879 10.866 -2.092 1.00 0.00 C ATOM 538 C ALA A 33 1.766 11.864 -2.418 1.00 0.00 C ATOM 539 O ALA A 33 1.337 11.971 -3.565 1.00 0.00 O ATOM 540 CB ALA A 33 4.249 11.341 -2.583 1.00 0.00 C ATOM 0 H ALA A 33 2.288 9.632 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 33 2.934 10.775 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.485 12.303 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.009 10.611 -2.303 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.230 11.447 -3.668 1.00 0.00 H new ATOM 546 N SER A 34 1.328 12.569 -1.385 1.00 0.00 N ATOM 547 CA SER A 34 0.274 13.556 -1.546 1.00 0.00 C ATOM 548 C SER A 34 0.707 14.627 -2.547 1.00 0.00 C ATOM 549 O SER A 34 -0.127 15.362 -3.074 1.00 0.00 O ATOM 550 CB SER A 34 -0.088 14.199 -0.205 1.00 0.00 C ATOM 551 OG SER A 34 -0.977 15.300 -0.364 1.00 0.00 O ATOM 0 H SER A 34 1.684 12.476 -0.434 1.00 0.00 H new ATOM 0 HA SER A 34 -0.613 13.049 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.548 13.452 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.821 14.536 0.293 1.00 0.00 H new ATOM 0 HG SER A 34 -1.894 14.969 -0.459 1.00 0.00 H new ATOM 557 N TRP A 35 2.010 14.681 -2.781 1.00 0.00 N ATOM 558 CA TRP A 35 2.563 15.651 -3.713 1.00 0.00 C ATOM 559 C TRP A 35 2.641 14.992 -5.091 1.00 0.00 C ATOM 560 O TRP A 35 2.800 15.675 -6.101 1.00 0.00 O ATOM 561 CB TRP A 35 3.916 16.170 -3.222 1.00 0.00 C ATOM 562 CG TRP A 35 4.901 15.069 -2.829 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.313 14.730 -1.600 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.588 14.169 -3.725 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.211 13.682 -1.637 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.383 13.331 -2.972 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.537 14.069 -5.127 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.187 12.331 -3.530 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.348 13.065 -5.670 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.154 12.212 -4.925 1.00 0.00 C ATOM 0 H TRP A 35 2.699 14.070 -2.342 1.00 0.00 H new ATOM 0 HA TRP A 35 1.921 16.529 -3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.364 16.781 -4.005 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.753 16.821 -2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.984 15.216 -0.693 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.664 13.246 -0.834 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.922 14.715 -5.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.800 11.686 -2.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.347 12.945 -6.743 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.752 11.461 -5.420 1.00 0.00 H new ATOM 581 N CYS A 36 2.525 13.672 -5.088 1.00 0.00 N ATOM 582 CA CYS A 36 2.582 12.913 -6.326 1.00 0.00 C ATOM 583 C CYS A 36 1.234 13.054 -7.037 1.00 0.00 C ATOM 584 O CYS A 36 0.210 12.600 -6.529 1.00 0.00 O ATOM 585 CB CYS A 36 2.944 11.448 -6.075 1.00 0.00 C ATOM 586 SG CYS A 36 3.111 10.563 -7.668 1.00 0.00 S ATOM 0 H CYS A 36 2.392 13.109 -4.248 1.00 0.00 H new ATOM 0 HA CYS A 36 3.372 13.310 -6.964 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.877 11.386 -5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.175 10.974 -5.465 1.00 0.00 H new ATOM 0 HG CYS A 36 2.513 9.411 -7.589 1.00 0.00 H new ATOM 592 N PRO A 37 1.279 13.703 -8.230 1.00 0.00 N ATOM 593 CA PRO A 37 0.075 13.910 -9.016 1.00 0.00 C ATOM 594 C PRO A 37 -0.364 12.613 -9.698 1.00 0.00 C ATOM 595 O PRO A 37 -1.558 12.371 -9.868 1.00 0.00 O ATOM 596 CB PRO A 37 0.433 15.008 -10.004 1.00 0.00 C ATOM 597 CG PRO A 37 1.951 15.051 -10.047 1.00 0.00 C ATOM 598 CD PRO A 37 2.475 14.254 -8.862 1.00 0.00 C ATOM 0 HA PRO A 37 -0.779 14.204 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.020 14.796 -10.990 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.024 15.967 -9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.318 14.629 -10.983 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.305 16.081 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.153 13.464 -9.185 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.031 14.889 -8.172 1.00 0.00 H new ATOM 606 N LEU A 38 0.624 11.813 -10.071 1.00 0.00 N ATOM 607 CA LEU A 38 0.353 10.548 -10.730 1.00 0.00 C ATOM 608 C LEU A 38 -0.370 9.614 -9.757 1.00 0.00 C ATOM 609 O LEU A 38 -1.177 8.783 -10.172 1.00 0.00 O ATOM 610 CB LEU A 38 1.643 9.956 -11.305 1.00 0.00 C ATOM 611 CG LEU A 38 1.481 8.706 -12.172 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.635 7.435 -11.333 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.154 8.734 -12.932 1.00 0.00 C ATOM 0 H LEU A 38 1.613 12.017 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.311 10.698 -11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.138 10.724 -11.899 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.309 9.715 -10.477 1.00 0.00 H new ATOM 0 HG LEU A 38 2.277 8.700 -12.916 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.516 6.560 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.625 7.418 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.875 7.420 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.064 7.834 -13.540 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.671 8.775 -12.221 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.122 9.612 -13.577 1.00 0.00 H new ATOM 625 N CYS A 39 -0.053 9.781 -8.482 1.00 0.00 N ATOM 626 CA CYS A 39 -0.664 8.965 -7.446 1.00 0.00 C ATOM 627 C CYS A 39 -2.071 9.502 -7.177 1.00 0.00 C ATOM 628 O CYS A 39 -3.017 8.728 -7.035 1.00 0.00 O ATOM 629 CB CYS A 39 0.188 8.933 -6.175 1.00 0.00 C ATOM 630 SG CYS A 39 1.625 7.826 -6.411 1.00 0.00 S ATOM 0 H CYS A 39 0.619 10.469 -8.142 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.730 7.932 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.530 9.939 -5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.413 8.588 -5.333 1.00 0.00 H new ATOM 0 HG CYS A 39 2.621 8.248 -5.690 1.00 0.00 H new ATOM 636 N LEU A 40 -2.164 10.822 -7.115 1.00 0.00 N ATOM 637 CA LEU A 40 -3.440 11.472 -6.867 1.00 0.00 C ATOM 638 C LEU A 40 -4.483 10.929 -7.846 1.00 0.00 C ATOM 639 O LEU A 40 -5.623 10.672 -7.465 1.00 0.00 O ATOM 640 CB LEU A 40 -3.284 12.992 -6.913 1.00 0.00 C ATOM 641 CG LEU A 40 -2.754 13.652 -5.637 1.00 0.00 C ATOM 642 CD1 LEU A 40 -1.804 14.802 -5.970 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.905 14.100 -4.734 1.00 0.00 C ATOM 0 H LEU A 40 -1.376 11.459 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.796 11.242 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.613 13.244 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.254 13.430 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.179 12.911 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.442 15.254 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.959 14.421 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.333 15.552 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.502 14.566 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.527 14.819 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.507 13.235 -4.456 1.00 0.00 H new ATOM 655 N SER A 41 -4.055 10.771 -9.090 1.00 0.00 N ATOM 656 CA SER A 41 -4.936 10.264 -10.127 1.00 0.00 C ATOM 657 C SER A 41 -5.130 8.756 -9.959 1.00 0.00 C ATOM 658 O SER A 41 -6.140 8.204 -10.392 1.00 0.00 O ATOM 659 CB SER A 41 -4.386 10.578 -11.520 1.00 0.00 C ATOM 660 OG SER A 41 -3.203 9.836 -11.806 1.00 0.00 O ATOM 0 H SER A 41 -3.108 10.986 -9.403 1.00 0.00 H new ATOM 0 HA SER A 41 -5.901 10.760 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.145 10.353 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.172 11.644 -11.594 1.00 0.00 H new ATOM 0 HG SER A 41 -2.739 9.625 -10.969 1.00 0.00 H new ATOM 666 N GLU A 42 -4.143 8.132 -9.330 1.00 0.00 N ATOM 667 CA GLU A 42 -4.192 6.698 -9.100 1.00 0.00 C ATOM 668 C GLU A 42 -4.922 6.396 -7.790 1.00 0.00 C ATOM 669 O GLU A 42 -5.246 5.243 -7.509 1.00 0.00 O ATOM 670 CB GLU A 42 -2.786 6.096 -9.096 1.00 0.00 C ATOM 671 CG GLU A 42 -2.748 4.787 -9.889 1.00 0.00 C ATOM 672 CD GLU A 42 -2.763 5.059 -11.394 1.00 0.00 C ATOM 673 OE1 GLU A 42 -3.808 4.899 -12.043 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.638 5.448 -11.890 1.00 0.00 O ATOM 0 H GLU A 42 -3.306 8.593 -8.973 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.747 6.237 -9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.081 6.807 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.468 5.913 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.852 4.224 -9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.604 4.169 -9.619 1.00 0.00 H new ATOM 682 N LEU A 43 -5.158 7.450 -7.024 1.00 0.00 N ATOM 683 CA LEU A 43 -5.844 7.312 -5.750 1.00 0.00 C ATOM 684 C LEU A 43 -7.171 6.583 -5.967 1.00 0.00 C ATOM 685 O LEU A 43 -7.477 5.619 -5.267 1.00 0.00 O ATOM 686 CB LEU A 43 -5.994 8.673 -5.071 1.00 0.00 C ATOM 687 CG LEU A 43 -4.750 9.206 -4.356 1.00 0.00 C ATOM 688 CD1 LEU A 43 -5.023 10.576 -3.727 1.00 0.00 C ATOM 689 CD2 LEU A 43 -4.235 8.198 -3.327 1.00 0.00 C ATOM 0 H LEU A 43 -4.886 8.404 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.254 6.704 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.296 9.401 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.806 8.608 -4.346 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.963 9.342 -5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.123 10.932 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.308 11.283 -4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.832 10.489 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.351 8.601 -2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.010 8.008 -2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.977 7.266 -3.829 1.00 0.00 H new ATOM 701 N GLY A 44 -7.926 7.071 -6.941 1.00 0.00 N ATOM 702 CA GLY A 44 -9.214 6.479 -7.259 1.00 0.00 C ATOM 703 C GLY A 44 -9.042 5.080 -7.853 1.00 0.00 C ATOM 704 O GLY A 44 -9.764 4.155 -7.487 1.00 0.00 O ATOM 0 H GLY A 44 -7.670 7.870 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.825 6.423 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.746 7.115 -7.966 1.00 0.00 H new ATOM 708 N GLN A 45 -8.082 4.971 -8.759 1.00 0.00 N ATOM 709 CA GLN A 45 -7.807 3.699 -9.408 1.00 0.00 C ATOM 710 C GLN A 45 -7.321 2.674 -8.381 1.00 0.00 C ATOM 711 O GLN A 45 -7.560 1.476 -8.533 1.00 0.00 O ATOM 712 CB GLN A 45 -6.788 3.869 -10.537 1.00 0.00 C ATOM 713 CG GLN A 45 -6.683 2.595 -11.376 1.00 0.00 C ATOM 714 CD GLN A 45 -7.006 2.877 -12.846 1.00 0.00 C ATOM 715 OE1 GLN A 45 -8.111 2.668 -13.316 1.00 0.00 O ATOM 716 NE2 GLN A 45 -5.981 3.363 -13.540 1.00 0.00 N ATOM 0 H GLN A 45 -7.485 5.741 -9.059 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.733 3.331 -9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.080 4.705 -11.173 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.812 4.114 -10.117 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.677 2.183 -11.294 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.369 1.842 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.082 3.514 -13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.094 3.585 -14.529 1.00 0.00 H new ATOM 725 N THR A 46 -6.649 3.181 -7.357 1.00 0.00 N ATOM 726 CA THR A 46 -6.129 2.325 -6.307 1.00 0.00 C ATOM 727 C THR A 46 -7.262 1.847 -5.396 1.00 0.00 C ATOM 728 O THR A 46 -7.274 0.695 -4.966 1.00 0.00 O ATOM 729 CB THR A 46 -5.037 3.098 -5.563 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.045 3.339 -6.555 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.319 2.241 -4.518 1.00 0.00 C ATOM 0 H THR A 46 -6.453 4.174 -7.233 1.00 0.00 H new ATOM 0 HA THR A 46 -5.683 1.420 -6.721 1.00 0.00 H new ATOM 0 HB THR A 46 -5.477 3.969 -5.077 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.152 4.246 -6.911 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.555 2.838 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.039 1.886 -3.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.850 1.387 -5.007 1.00 0.00 H new ATOM 739 N GLU A 47 -8.187 2.758 -5.131 1.00 0.00 N ATOM 740 CA GLU A 47 -9.323 2.444 -4.281 1.00 0.00 C ATOM 741 C GLU A 47 -10.257 1.457 -4.984 1.00 0.00 C ATOM 742 O GLU A 47 -10.911 0.643 -4.332 1.00 0.00 O ATOM 743 CB GLU A 47 -10.073 3.715 -3.877 1.00 0.00 C ATOM 744 CG GLU A 47 -11.292 3.382 -3.014 1.00 0.00 C ATOM 745 CD GLU A 47 -11.777 4.616 -2.250 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.749 5.732 -2.792 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.197 4.386 -1.054 1.00 0.00 O ATOM 0 H GLU A 47 -8.173 3.713 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.951 1.975 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.404 4.377 -3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.391 4.253 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.095 3.001 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.038 2.590 -2.309 1.00 0.00 H new ATOM 755 N LYS A 48 -10.290 1.561 -6.305 1.00 0.00 N ATOM 756 CA LYS A 48 -11.132 0.688 -7.102 1.00 0.00 C ATOM 757 C LYS A 48 -10.461 -0.679 -7.237 1.00 0.00 C ATOM 758 O LYS A 48 -11.060 -1.704 -6.915 1.00 0.00 O ATOM 759 CB LYS A 48 -11.465 1.344 -8.445 1.00 0.00 C ATOM 760 CG LYS A 48 -12.219 0.375 -9.357 1.00 0.00 C ATOM 761 CD LYS A 48 -13.711 0.714 -9.404 1.00 0.00 C ATOM 762 CE LYS A 48 -14.418 -0.071 -10.510 1.00 0.00 C ATOM 763 NZ LYS A 48 -14.197 0.573 -11.825 1.00 0.00 N ATOM 0 H LYS A 48 -9.747 2.237 -6.842 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.089 0.526 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.069 2.236 -8.278 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.546 1.668 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.801 0.417 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.085 -0.646 -8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.170 0.486 -8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.839 1.783 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.045 -1.095 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.486 -0.125 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.684 0.028 -12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.574 1.542 -11.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.178 0.602 -12.030 1.00 0.00 H new ATOM 776 N TRP A 49 -9.225 -0.652 -7.712 1.00 0.00 N ATOM 777 CA TRP A 49 -8.465 -1.877 -7.892 1.00 0.00 C ATOM 778 C TRP A 49 -8.402 -2.598 -6.543 1.00 0.00 C ATOM 779 O TRP A 49 -8.266 -3.819 -6.495 1.00 0.00 O ATOM 780 CB TRP A 49 -7.081 -1.582 -8.477 1.00 0.00 C ATOM 781 CG TRP A 49 -7.108 -1.109 -9.931 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.163 -1.031 -10.754 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.981 -0.646 -10.706 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.799 -0.554 -11.998 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.431 -0.313 -11.967 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.627 -0.514 -10.352 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.591 0.173 -12.976 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.800 -0.028 -11.373 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.238 0.312 -12.647 1.00 0.00 C ATOM 0 H TRP A 49 -8.730 0.199 -7.978 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.954 -2.531 -8.614 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.595 -0.821 -7.867 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.470 -2.482 -8.410 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.170 -1.306 -10.479 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.420 -0.406 -12.793 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.254 -0.767 -9.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.967 0.427 -13.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.749 0.091 -11.155 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.537 0.682 -13.380 1.00 0.00 H new ATOM 800 N ALA A 50 -8.507 -1.810 -5.483 1.00 0.00 N ATOM 801 CA ALA A 50 -8.464 -2.359 -4.138 1.00 0.00 C ATOM 802 C ALA A 50 -9.792 -3.055 -3.834 1.00 0.00 C ATOM 803 O ALA A 50 -9.915 -3.756 -2.831 1.00 0.00 O ATOM 804 CB ALA A 50 -8.149 -1.242 -3.142 1.00 0.00 C ATOM 0 H ALA A 50 -8.622 -0.797 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.674 -3.105 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.117 -1.653 -2.133 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.183 -0.800 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.923 -0.476 -3.197 1.00 0.00 H new ATOM 810 N GLN A 51 -10.755 -2.836 -4.718 1.00 0.00 N ATOM 811 CA GLN A 51 -12.070 -3.433 -4.556 1.00 0.00 C ATOM 812 C GLN A 51 -12.296 -4.513 -5.616 1.00 0.00 C ATOM 813 O GLN A 51 -13.278 -5.251 -5.555 1.00 0.00 O ATOM 814 CB GLN A 51 -13.166 -2.368 -4.615 1.00 0.00 C ATOM 815 CG GLN A 51 -13.703 -2.213 -6.040 1.00 0.00 C ATOM 816 CD GLN A 51 -15.056 -2.912 -6.196 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.079 -2.454 -5.717 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.001 -4.045 -6.891 1.00 0.00 N ATOM 0 H GLN A 51 -10.651 -2.253 -5.549 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.117 -3.901 -3.573 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.980 -2.641 -3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.771 -1.414 -4.266 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.807 -1.155 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.989 -2.632 -6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -14.110 -4.371 -7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -15.850 -4.587 -7.050 1.00 0.00 H new ATOM 827 N ASP A 52 -11.372 -4.572 -6.562 1.00 0.00 N ATOM 828 CA ASP A 52 -11.458 -5.549 -7.633 1.00 0.00 C ATOM 829 C ASP A 52 -11.412 -6.957 -7.038 1.00 0.00 C ATOM 830 O ASP A 52 -10.514 -7.279 -6.263 1.00 0.00 O ATOM 831 CB ASP A 52 -10.282 -5.409 -8.604 1.00 0.00 C ATOM 832 CG ASP A 52 -9.971 -6.659 -9.427 1.00 0.00 C ATOM 833 OD1 ASP A 52 -10.839 -7.520 -9.635 1.00 0.00 O ATOM 834 OD2 ASP A 52 -8.761 -6.733 -9.871 1.00 0.00 O ATOM 0 H ASP A 52 -10.559 -3.958 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.391 -5.379 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.490 -4.585 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.392 -5.135 -8.037 1.00 0.00 H new ATOM 840 N ALA A 53 -12.394 -7.760 -7.423 1.00 0.00 N ATOM 841 CA ALA A 53 -12.478 -9.126 -6.937 1.00 0.00 C ATOM 842 C ALA A 53 -11.167 -9.853 -7.242 1.00 0.00 C ATOM 843 O ALA A 53 -10.585 -10.484 -6.362 1.00 0.00 O ATOM 844 CB ALA A 53 -13.689 -9.819 -7.565 1.00 0.00 C ATOM 0 H ALA A 53 -13.138 -7.490 -8.066 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.619 -9.140 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.751 -10.844 -7.200 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.597 -9.281 -7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.582 -9.826 -8.650 1.00 0.00 H new ATOM 850 N LYS A 54 -10.742 -9.740 -8.491 1.00 0.00 N ATOM 851 CA LYS A 54 -9.511 -10.379 -8.923 1.00 0.00 C ATOM 852 C LYS A 54 -8.396 -10.053 -7.928 1.00 0.00 C ATOM 853 O LYS A 54 -7.555 -10.902 -7.632 1.00 0.00 O ATOM 854 CB LYS A 54 -9.181 -9.988 -10.365 1.00 0.00 C ATOM 855 CG LYS A 54 -9.963 -10.848 -11.360 1.00 0.00 C ATOM 856 CD LYS A 54 -9.020 -11.723 -12.188 1.00 0.00 C ATOM 857 CE LYS A 54 -9.735 -12.292 -13.415 1.00 0.00 C ATOM 858 NZ LYS A 54 -8.755 -12.845 -14.375 1.00 0.00 N ATOM 0 H LYS A 54 -11.228 -9.215 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.627 -11.463 -8.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.418 -8.936 -10.523 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.112 -10.104 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.672 -11.478 -10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.545 -10.207 -12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.158 -11.136 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.641 -12.539 -11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.432 -13.072 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.323 -11.510 -13.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.257 -13.227 -15.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.106 -12.092 -14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.212 -13.605 -13.918 1.00 0.00 H new ATOM 871 N PHE A 55 -8.423 -8.823 -7.440 1.00 0.00 N ATOM 872 CA PHE A 55 -7.424 -8.374 -6.484 1.00 0.00 C ATOM 873 C PHE A 55 -7.714 -8.929 -5.088 1.00 0.00 C ATOM 874 O PHE A 55 -6.798 -9.115 -4.288 1.00 0.00 O ATOM 875 CB PHE A 55 -7.505 -6.846 -6.437 1.00 0.00 C ATOM 876 CG PHE A 55 -6.210 -6.143 -6.851 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.045 -6.430 -6.210 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.224 -5.231 -7.860 1.00 0.00 C ATOM 879 CE1 PHE A 55 -3.845 -5.778 -6.595 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.024 -4.579 -8.244 1.00 0.00 C ATOM 881 CZ PHE A 55 -3.859 -4.865 -7.604 1.00 0.00 C ATOM 0 H PHE A 55 -9.121 -8.122 -7.688 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.436 -8.721 -6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.312 -6.514 -7.091 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.767 -6.537 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.033 -7.154 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.149 -5.003 -8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.920 -6.007 -6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.036 -3.855 -9.045 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.946 -4.368 -7.896 1.00 0.00 H new ATOM 891 N SER A 56 -8.991 -9.181 -4.838 1.00 0.00 N ATOM 892 CA SER A 56 -9.412 -9.712 -3.553 1.00 0.00 C ATOM 893 C SER A 56 -8.503 -10.873 -3.143 1.00 0.00 C ATOM 894 O SER A 56 -8.274 -11.098 -1.957 1.00 0.00 O ATOM 895 CB SER A 56 -10.870 -10.171 -3.598 1.00 0.00 C ATOM 896 OG SER A 56 -11.393 -10.419 -2.295 1.00 0.00 O ATOM 0 H SER A 56 -9.748 -9.027 -5.504 1.00 0.00 H new ATOM 0 HA SER A 56 -9.332 -8.917 -2.812 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.474 -9.410 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.946 -11.078 -4.198 1.00 0.00 H new ATOM 0 HG SER A 56 -12.326 -10.709 -2.367 1.00 0.00 H new ATOM 902 N SER A 57 -8.010 -11.581 -4.150 1.00 0.00 N ATOM 903 CA SER A 57 -7.131 -12.712 -3.909 1.00 0.00 C ATOM 904 C SER A 57 -6.066 -12.337 -2.877 1.00 0.00 C ATOM 905 O SER A 57 -5.895 -13.032 -1.876 1.00 0.00 O ATOM 906 CB SER A 57 -6.470 -13.181 -5.206 1.00 0.00 C ATOM 907 OG SER A 57 -7.225 -14.206 -5.850 1.00 0.00 O ATOM 0 H SER A 57 -8.203 -11.393 -5.134 1.00 0.00 H new ATOM 0 HA SER A 57 -7.731 -13.534 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.358 -12.334 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.468 -13.551 -4.989 1.00 0.00 H new ATOM 0 HG SER A 57 -6.771 -14.477 -6.675 1.00 0.00 H new ATOM 913 N ALA A 58 -5.377 -11.241 -3.155 1.00 0.00 N ATOM 914 CA ALA A 58 -4.333 -10.765 -2.263 1.00 0.00 C ATOM 915 C ALA A 58 -4.786 -9.461 -1.603 1.00 0.00 C ATOM 916 O ALA A 58 -5.752 -8.841 -2.045 1.00 0.00 O ATOM 917 CB ALA A 58 -3.029 -10.601 -3.045 1.00 0.00 C ATOM 0 H ALA A 58 -5.521 -10.668 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.148 -11.488 -1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.246 -10.244 -2.376 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.735 -11.562 -3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.175 -9.880 -3.849 1.00 0.00 H new ATOM 923 N ASN A 59 -4.067 -9.083 -0.557 1.00 0.00 N ATOM 924 CA ASN A 59 -4.384 -7.864 0.168 1.00 0.00 C ATOM 925 C ASN A 59 -3.633 -6.691 -0.466 1.00 0.00 C ATOM 926 O ASN A 59 -2.413 -6.732 -0.606 1.00 0.00 O ATOM 927 CB ASN A 59 -3.952 -7.966 1.632 1.00 0.00 C ATOM 928 CG ASN A 59 -4.321 -9.331 2.219 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.173 -10.042 1.713 1.00 0.00 O ATOM 930 ND2 ASN A 59 -3.636 -9.653 3.312 1.00 0.00 N ATOM 0 H ASN A 59 -3.266 -9.599 -0.194 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.462 -7.713 0.120 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.876 -7.812 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.429 -7.176 2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.810 -10.543 3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.936 -9.011 3.683 1.00 0.00 H new ATOM 937 N LEU A 60 -4.397 -5.672 -0.833 1.00 0.00 N ATOM 938 CA LEU A 60 -3.820 -4.490 -1.448 1.00 0.00 C ATOM 939 C LEU A 60 -4.037 -3.284 -0.529 1.00 0.00 C ATOM 940 O LEU A 60 -5.161 -3.008 -0.117 1.00 0.00 O ATOM 941 CB LEU A 60 -4.376 -4.294 -2.859 1.00 0.00 C ATOM 942 CG LEU A 60 -3.828 -3.094 -3.636 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.389 -3.061 -5.058 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.093 -1.788 -2.885 1.00 0.00 C ATOM 0 H LEU A 60 -5.410 -5.641 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.743 -4.611 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.176 -5.197 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.459 -4.193 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.747 -3.204 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.984 -2.199 -5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.108 -3.975 -5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.476 -2.985 -5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.694 -0.951 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.167 -1.657 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.607 -1.824 -1.910 1.00 0.00 H new ATOM 956 N ILE A 61 -2.941 -2.599 -0.236 1.00 0.00 N ATOM 957 CA ILE A 61 -2.997 -1.431 0.626 1.00 0.00 C ATOM 958 C ILE A 61 -1.891 -0.452 0.224 1.00 0.00 C ATOM 959 O ILE A 61 -0.928 -0.836 -0.440 1.00 0.00 O ATOM 960 CB ILE A 61 -2.943 -1.848 2.097 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.568 -2.412 2.458 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.071 -2.826 2.431 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.507 -3.918 2.192 1.00 0.00 C ATOM 0 H ILE A 61 -2.009 -2.831 -0.580 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.946 -0.910 0.500 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.096 -0.959 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.798 -1.905 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.355 -2.216 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.010 -3.107 3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.033 -2.352 2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.975 -3.718 1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.519 -4.295 2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.262 -4.425 2.794 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.697 -4.109 1.136 1.00 0.00 H new ATOM 975 N THR A 62 -2.067 0.793 0.641 1.00 0.00 N ATOM 976 CA THR A 62 -1.096 1.829 0.332 1.00 0.00 C ATOM 977 C THR A 62 -0.383 2.287 1.606 1.00 0.00 C ATOM 978 O THR A 62 -0.944 2.211 2.698 1.00 0.00 O ATOM 979 CB THR A 62 -1.827 2.960 -0.395 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.777 3.429 0.558 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.685 2.451 -1.554 1.00 0.00 C ATOM 0 H THR A 62 -2.867 1.108 1.190 1.00 0.00 H new ATOM 0 HA THR A 62 -0.312 1.454 -0.326 1.00 0.00 H new ATOM 0 HB THR A 62 -1.100 3.680 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.647 3.011 0.386 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.182 3.293 -2.036 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.051 1.940 -2.279 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.434 1.756 -1.174 1.00 0.00 H new ATOM 989 N VAL A 63 0.843 2.755 1.424 1.00 0.00 N ATOM 990 CA VAL A 63 1.639 3.226 2.544 1.00 0.00 C ATOM 991 C VAL A 63 2.071 4.671 2.284 1.00 0.00 C ATOM 992 O VAL A 63 2.383 5.035 1.153 1.00 0.00 O ATOM 993 CB VAL A 63 2.820 2.282 2.779 1.00 0.00 C ATOM 994 CG1 VAL A 63 4.009 3.032 3.385 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.410 1.101 3.663 1.00 0.00 C ATOM 0 H VAL A 63 1.305 2.818 0.517 1.00 0.00 H new ATOM 0 HA VAL A 63 1.050 3.223 3.461 1.00 0.00 H new ATOM 0 HB VAL A 63 3.130 1.886 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.835 2.338 3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.324 3.824 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.715 3.469 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.267 0.445 3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.062 1.472 4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.609 0.544 3.177 1.00 0.00 H new ATOM 1005 N ALA A 64 2.077 5.453 3.354 1.00 0.00 N ATOM 1006 CA ALA A 64 2.466 6.850 3.258 1.00 0.00 C ATOM 1007 C ALA A 64 3.424 7.189 4.401 1.00 0.00 C ATOM 1008 O ALA A 64 3.233 6.737 5.529 1.00 0.00 O ATOM 1009 CB ALA A 64 1.215 7.731 3.265 1.00 0.00 C ATOM 0 H ALA A 64 1.819 5.146 4.292 1.00 0.00 H new ATOM 0 HA ALA A 64 2.991 7.038 2.322 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.507 8.779 3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.583 7.472 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.663 7.571 4.191 1.00 0.00 H new ATOM 1015 N SER A 65 4.432 7.982 4.070 1.00 0.00 N ATOM 1016 CA SER A 65 5.421 8.386 5.056 1.00 0.00 C ATOM 1017 C SER A 65 5.301 9.888 5.332 1.00 0.00 C ATOM 1018 O SER A 65 5.671 10.706 4.493 1.00 0.00 O ATOM 1019 CB SER A 65 6.837 8.045 4.589 1.00 0.00 C ATOM 1020 OG SER A 65 6.954 6.680 4.193 1.00 0.00 O ATOM 0 H SER A 65 4.586 8.356 3.133 1.00 0.00 H new ATOM 0 HA SER A 65 5.229 7.836 5.977 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.108 8.690 3.753 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.544 8.251 5.393 1.00 0.00 H new ATOM 0 HG SER A 65 7.872 6.502 3.900 1.00 0.00 H new ATOM 1026 N PRO A 66 4.769 10.208 6.541 1.00 0.00 N ATOM 1027 CA PRO A 66 4.595 11.595 6.938 1.00 0.00 C ATOM 1028 C PRO A 66 5.935 12.228 7.321 1.00 0.00 C ATOM 1029 O PRO A 66 6.750 11.601 7.994 1.00 0.00 O ATOM 1030 CB PRO A 66 3.607 11.554 8.091 1.00 0.00 C ATOM 1031 CG PRO A 66 3.620 10.122 8.601 1.00 0.00 C ATOM 1032 CD PRO A 66 4.319 9.264 7.559 1.00 0.00 C ATOM 0 HA PRO A 66 4.216 12.219 6.129 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.896 12.251 8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.609 11.842 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.140 10.062 9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.603 9.767 8.769 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.158 8.720 7.993 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.641 8.522 7.138 1.00 0.00 H new ATOM 1040 N GLY A 67 6.119 13.461 6.874 1.00 0.00 N ATOM 1041 CA GLY A 67 7.347 14.185 7.162 1.00 0.00 C ATOM 1042 C GLY A 67 8.543 13.536 6.462 1.00 0.00 C ATOM 1043 O GLY A 67 9.687 13.916 6.702 1.00 0.00 O ATOM 0 H GLY A 67 5.440 13.977 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.248 15.220 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.518 14.205 8.238 1.00 0.00 H new ATOM 1047 N PHE A 68 8.236 12.571 5.608 1.00 0.00 N ATOM 1048 CA PHE A 68 9.272 11.866 4.871 1.00 0.00 C ATOM 1049 C PHE A 68 9.066 12.012 3.363 1.00 0.00 C ATOM 1050 O PHE A 68 7.939 11.937 2.876 1.00 0.00 O ATOM 1051 CB PHE A 68 9.161 10.387 5.248 1.00 0.00 C ATOM 1052 CG PHE A 68 10.432 9.579 4.978 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.616 9.978 5.517 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.378 8.465 4.203 1.00 0.00 C ATOM 1055 CE1 PHE A 68 12.797 9.227 5.266 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.557 7.716 3.952 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.743 8.112 4.489 1.00 0.00 C ATOM 0 H PHE A 68 7.285 12.260 5.410 1.00 0.00 H new ATOM 0 HA PHE A 68 10.251 12.277 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.912 10.310 6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.335 9.942 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.659 10.863 6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.437 8.149 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.738 9.542 5.693 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.513 6.831 3.334 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.640 7.542 4.298 1.00 0.00 H new ATOM 1067 N LEU A 69 10.174 12.218 2.665 1.00 0.00 N ATOM 1068 CA LEU A 69 10.130 12.376 1.221 1.00 0.00 C ATOM 1069 C LEU A 69 9.438 13.697 0.878 1.00 0.00 C ATOM 1070 O LEU A 69 8.960 13.878 -0.242 1.00 0.00 O ATOM 1071 CB LEU A 69 9.481 11.153 0.568 1.00 0.00 C ATOM 1072 CG LEU A 69 10.436 10.038 0.137 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.096 9.381 1.349 1.00 0.00 C ATOM 1074 CD2 LEU A 69 9.720 9.018 -0.751 1.00 0.00 C ATOM 0 H LEU A 69 11.107 12.279 3.073 1.00 0.00 H new ATOM 0 HA LEU A 69 11.139 12.429 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.757 10.734 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.924 11.486 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 69 11.233 10.482 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.769 8.592 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.661 10.129 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.328 8.953 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.420 8.236 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.891 8.575 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.339 9.516 -1.642 1.00 0.00 H new ATOM 1086 N HIS A 70 9.407 14.584 1.860 1.00 0.00 N ATOM 1087 CA HIS A 70 8.783 15.884 1.675 1.00 0.00 C ATOM 1088 C HIS A 70 7.266 15.713 1.574 1.00 0.00 C ATOM 1089 O HIS A 70 6.609 16.407 0.798 1.00 0.00 O ATOM 1090 CB HIS A 70 9.380 16.608 0.467 1.00 0.00 C ATOM 1091 CG HIS A 70 9.778 18.037 0.743 1.00 0.00 C ATOM 1092 ND1 HIS A 70 10.602 18.762 -0.101 1.00 0.00 N ATOM 1093 CD2 HIS A 70 9.460 18.869 1.776 1.00 0.00 C ATOM 1094 CE1 HIS A 70 10.765 19.973 0.411 1.00 0.00 C ATOM 1095 NE2 HIS A 70 10.055 20.036 1.575 1.00 0.00 N ATOM 0 H HIS A 70 9.804 14.429 2.787 1.00 0.00 H new ATOM 0 HA HIS A 70 8.987 16.516 2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.256 16.058 0.123 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.655 16.594 -0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.829 18.619 2.616 1.00 0.00 H new ATOM 0 HE1 HIS A 70 11.355 20.770 -0.017 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.993 20.848 2.189 1.00 0.00 H new ATOM 1104 N GLU A 71 6.752 14.786 2.368 1.00 0.00 N ATOM 1105 CA GLU A 71 5.324 14.514 2.379 1.00 0.00 C ATOM 1106 C GLU A 71 4.677 15.126 3.622 1.00 0.00 C ATOM 1107 O GLU A 71 5.317 15.244 4.666 1.00 0.00 O ATOM 1108 CB GLU A 71 5.051 13.012 2.299 1.00 0.00 C ATOM 1109 CG GLU A 71 4.093 12.688 1.151 1.00 0.00 C ATOM 1110 CD GLU A 71 2.889 13.632 1.159 1.00 0.00 C ATOM 1111 OE1 GLU A 71 1.873 13.339 1.808 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.034 14.706 0.459 1.00 0.00 O ATOM 0 H GLU A 71 7.299 14.212 3.010 1.00 0.00 H new ATOM 0 HA GLU A 71 4.879 14.976 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.989 12.476 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.626 12.666 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.618 12.771 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.752 11.656 1.238 1.00 0.00 H new ATOM 1120 N LYS A 72 3.415 15.500 3.470 1.00 0.00 N ATOM 1121 CA LYS A 72 2.673 16.095 4.568 1.00 0.00 C ATOM 1122 C LYS A 72 3.036 15.380 5.871 1.00 0.00 C ATOM 1123 O LYS A 72 3.110 14.153 5.910 1.00 0.00 O ATOM 1124 CB LYS A 72 1.173 16.097 4.264 1.00 0.00 C ATOM 1125 CG LYS A 72 0.835 17.119 3.178 1.00 0.00 C ATOM 1126 CD LYS A 72 -0.112 18.194 3.712 1.00 0.00 C ATOM 1127 CE LYS A 72 -0.165 19.397 2.767 1.00 0.00 C ATOM 1128 NZ LYS A 72 0.461 20.580 3.399 1.00 0.00 N ATOM 0 H LYS A 72 2.888 15.402 2.602 1.00 0.00 H new ATOM 0 HA LYS A 72 2.950 17.142 4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.862 15.103 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.615 16.327 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.751 17.585 2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.375 16.614 2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.112 17.776 3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.218 18.517 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.350 19.159 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.201 19.620 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.417 21.387 2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.048 20.816 4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.455 20.369 3.622 1.00 0.00 H new ATOM 1141 N LYS A 73 3.251 16.178 6.906 1.00 0.00 N ATOM 1142 CA LYS A 73 3.604 15.635 8.208 1.00 0.00 C ATOM 1143 C LYS A 73 2.445 14.789 8.735 1.00 0.00 C ATOM 1144 O LYS A 73 1.335 14.854 8.208 1.00 0.00 O ATOM 1145 CB LYS A 73 4.029 16.757 9.158 1.00 0.00 C ATOM 1146 CG LYS A 73 5.441 16.516 9.696 1.00 0.00 C ATOM 1147 CD LYS A 73 5.586 17.058 11.119 1.00 0.00 C ATOM 1148 CE LYS A 73 5.705 15.916 12.131 1.00 0.00 C ATOM 1149 NZ LYS A 73 6.032 16.446 13.473 1.00 0.00 N ATOM 0 H LYS A 73 3.188 17.195 6.871 1.00 0.00 H new ATOM 0 HA LYS A 73 4.467 14.975 8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.993 17.713 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.326 16.821 9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.661 15.448 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.170 16.998 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.467 17.697 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.724 17.679 11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.769 15.359 12.172 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.478 15.217 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.109 15.659 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.936 16.958 13.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.280 17.095 13.783 1.00 0.00 H new ATOM 1162 N ASP A 74 2.741 14.013 9.768 1.00 0.00 N ATOM 1163 CA ASP A 74 1.737 13.155 10.371 1.00 0.00 C ATOM 1164 C ASP A 74 0.663 14.021 11.035 1.00 0.00 C ATOM 1165 O ASP A 74 0.959 15.103 11.538 1.00 0.00 O ATOM 1166 CB ASP A 74 2.353 12.259 11.448 1.00 0.00 C ATOM 1167 CG ASP A 74 1.345 11.480 12.296 1.00 0.00 C ATOM 1168 OD1 ASP A 74 1.045 10.310 12.018 1.00 0.00 O ATOM 1169 OD2 ASP A 74 0.852 12.134 13.294 1.00 0.00 O ATOM 0 H ASP A 74 3.663 13.961 10.202 1.00 0.00 H new ATOM 0 HA ASP A 74 1.309 12.533 9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.026 11.549 10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.961 12.877 12.109 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.559 13.511 11.014 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.678 14.224 11.607 1.00 0.00 C ATOM 1177 C GLY A 75 -2.331 15.162 10.591 1.00 0.00 C ATOM 1178 O GLY A 75 -3.550 15.161 10.433 1.00 0.00 O ATOM 0 H GLY A 75 -0.799 12.612 10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.415 13.510 11.974 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.333 14.797 12.468 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.489 15.942 9.927 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.969 16.884 8.930 1.00 0.00 C ATOM 1184 C ASP A 76 -2.335 16.125 7.652 1.00 0.00 C ATOM 1185 O ASP A 76 -3.253 16.516 6.935 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.891 17.911 8.578 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.891 19.169 9.447 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -0.536 19.127 10.634 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -1.279 20.245 8.849 1.00 0.00 O ATOM 0 H ASP A 76 -0.478 15.940 10.060 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.836 17.399 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.085 17.433 8.657 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.018 18.207 7.537 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.594 15.054 7.406 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.829 14.236 6.229 1.00 0.00 C ATOM 1197 C PHE A 77 -3.119 13.427 6.370 1.00 0.00 C ATOM 1198 O PHE A 77 -3.988 13.479 5.501 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.646 13.272 6.110 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.838 12.178 5.059 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -0.509 12.415 3.761 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -1.339 10.966 5.422 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -0.688 11.399 2.785 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -1.518 9.950 4.447 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.188 10.188 3.148 1.00 0.00 C ATOM 0 H PHE A 77 -0.831 14.734 8.002 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.926 14.872 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.251 13.842 5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.473 12.804 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.111 13.377 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.601 10.777 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.427 11.588 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.916 8.988 4.736 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.323 9.415 2.406 1.00 0.00 H new ATOM 1215 N GLN A 78 -3.203 12.696 7.472 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.373 11.876 7.739 1.00 0.00 C ATOM 1217 C GLN A 78 -5.642 12.730 7.692 1.00 0.00 C ATOM 1218 O GLN A 78 -6.702 12.251 7.292 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.244 11.159 9.084 1.00 0.00 C ATOM 1220 CG GLN A 78 -4.045 12.161 10.223 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.586 11.455 11.500 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.406 11.268 11.748 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.582 11.075 12.296 1.00 0.00 N ATOM 0 H GLN A 78 -2.480 12.654 8.190 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.443 11.114 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.138 10.564 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.402 10.467 9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.307 12.908 9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.978 12.692 10.412 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.548 11.262 12.029 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.379 10.596 13.174 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.492 13.979 8.105 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.612 14.905 8.115 1.00 0.00 C ATOM 1234 C LYS A 79 -6.978 15.272 6.674 1.00 0.00 C ATOM 1235 O LYS A 79 -8.155 15.390 6.340 1.00 0.00 O ATOM 1236 CB LYS A 79 -6.299 16.116 8.997 1.00 0.00 C ATOM 1237 CG LYS A 79 -7.275 16.203 10.173 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.804 15.334 11.342 1.00 0.00 C ATOM 1239 CE LYS A 79 -7.993 14.792 12.137 1.00 0.00 C ATOM 1240 NZ LYS A 79 -8.232 15.622 13.340 1.00 0.00 N ATOM 0 H LYS A 79 -4.611 14.372 8.436 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.490 14.435 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.278 16.044 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.357 17.028 8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.366 17.239 10.499 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.266 15.882 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.206 14.504 10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.160 15.919 11.998 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.885 14.784 11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.801 13.760 12.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.042 15.241 13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.386 15.608 13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.436 16.600 13.052 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.945 15.442 5.862 1.00 0.00 N ATOM 1254 CA TRP A 80 -6.143 15.794 4.465 1.00 0.00 C ATOM 1255 C TRP A 80 -6.992 14.698 3.817 1.00 0.00 C ATOM 1256 O TRP A 80 -7.987 14.988 3.157 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.803 16.006 3.758 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.912 16.115 2.236 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.471 17.098 1.517 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -4.425 15.159 1.269 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -5.379 16.847 0.163 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -4.724 15.631 0.007 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -3.755 13.937 1.455 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -4.390 14.945 -1.166 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -3.429 13.264 0.272 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -3.723 13.726 -1.005 1.00 0.00 C ATOM 0 H TRP A 80 -4.970 15.343 6.144 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.672 16.743 4.378 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -4.340 16.914 4.145 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.138 15.178 4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -5.935 17.975 1.943 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.728 17.445 -0.586 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -3.511 13.549 2.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.634 15.336 -2.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.913 12.319 0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -3.438 13.146 -1.870 1.00 0.00 H new ATOM 1383 N LYS A 88 -12.982 3.868 2.002 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.094 2.496 1.537 1.00 0.00 C ATOM 1385 C LYS A 88 -11.771 2.070 0.894 1.00 0.00 C ATOM 1386 O LYS A 88 -11.645 0.946 0.413 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.304 2.338 0.616 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.360 1.428 1.247 1.00 0.00 C ATOM 1389 CD LYS A 88 -14.986 -0.046 1.077 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.211 -0.823 2.376 1.00 0.00 C ATOM 1391 NZ LYS A 88 -13.916 -1.174 3.000 1.00 0.00 N ATOM 0 HA LYS A 88 -13.273 1.824 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.738 3.316 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.986 1.923 -0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.460 1.662 2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.330 1.616 0.786 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.582 -0.486 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.941 -0.127 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.804 -0.224 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -15.780 -1.730 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.086 -1.701 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.364 -1.763 2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -13.387 -0.305 3.214 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.821 2.992 0.908 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.512 2.727 0.333 1.00 0.00 C ATOM 1406 C LEU A 89 -8.498 2.517 1.459 1.00 0.00 C ATOM 1407 O LEU A 89 -8.501 3.251 2.447 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.124 3.836 -0.648 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.850 4.613 -0.311 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.605 3.845 -0.756 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.896 6.023 -0.902 1.00 0.00 C ATOM 0 H LEU A 89 -10.930 3.924 1.308 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.531 1.808 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.005 3.394 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.951 4.543 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.791 4.720 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.714 4.420 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.571 2.881 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.642 3.686 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.979 6.554 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.991 5.960 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.752 6.561 -0.494 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.631 1.488 1.267 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.611 1.174 2.253 1.00 0.00 C ATOM 1425 C PRO A 90 -5.469 2.190 2.206 1.00 0.00 C ATOM 1426 O PRO A 90 -4.900 2.442 1.144 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.163 -0.239 1.920 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.607 -0.491 0.488 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.597 0.599 0.108 1.00 0.00 C ATOM 0 HA PRO A 90 -6.985 1.229 3.275 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.082 -0.339 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.612 -0.962 2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.750 -0.480 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.069 -1.474 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.277 1.129 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.583 0.183 -0.102 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.167 2.748 3.370 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.103 3.731 3.474 1.00 0.00 C ATOM 1439 C VAL A 91 -3.356 3.533 4.794 1.00 0.00 C ATOM 1440 O VAL A 91 -3.943 3.659 5.868 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.676 5.142 3.319 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.594 6.202 3.542 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.340 5.317 1.952 1.00 0.00 C ATOM 0 H VAL A 91 -5.641 2.538 4.248 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.381 3.596 2.669 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.441 5.278 4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.028 7.195 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.186 6.100 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.796 6.067 2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.739 6.328 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.604 5.151 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.152 4.597 1.847 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.074 3.222 4.672 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.242 3.003 5.842 1.00 0.00 C ATOM 1455 C VAL A 92 -0.249 4.158 5.981 1.00 0.00 C ATOM 1456 O VAL A 92 0.341 4.596 4.994 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.560 1.636 5.751 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.243 1.338 7.019 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.582 0.531 5.479 1.00 0.00 C ATOM 0 H VAL A 92 -1.591 3.116 3.780 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.851 2.988 6.746 1.00 0.00 H new ATOM 0 HB VAL A 92 0.136 1.664 4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.717 0.361 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.009 2.102 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.424 1.339 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.071 -0.430 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.312 0.504 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.092 0.731 4.536 1.00 0.00 H new ATOM 1469 N THR A 93 -0.092 4.619 7.213 1.00 0.00 N ATOM 1470 CA THR A 93 0.820 5.715 7.491 1.00 0.00 C ATOM 1471 C THR A 93 1.832 5.307 8.564 1.00 0.00 C ATOM 1472 O THR A 93 1.454 4.993 9.692 1.00 0.00 O ATOM 1473 CB THR A 93 -0.015 6.938 7.879 1.00 0.00 C ATOM 1474 OG1 THR A 93 -1.074 6.400 8.666 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.726 7.567 6.678 1.00 0.00 C ATOM 0 H THR A 93 -0.581 4.253 8.030 1.00 0.00 H new ATOM 0 HA THR A 93 1.410 5.971 6.611 1.00 0.00 H new ATOM 0 HB THR A 93 0.628 7.681 8.350 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.663 7.125 8.961 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.304 8.430 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.013 7.885 5.943 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.394 6.834 6.226 1.00 0.00 H new ATOM 1483 N ASP A 94 3.098 5.325 8.173 1.00 0.00 N ATOM 1484 CA ASP A 94 4.167 4.959 9.086 1.00 0.00 C ATOM 1485 C ASP A 94 5.046 6.184 9.352 1.00 0.00 C ATOM 1486 O ASP A 94 5.741 6.660 8.456 1.00 0.00 O ATOM 1487 CB ASP A 94 5.052 3.864 8.490 1.00 0.00 C ATOM 1488 CG ASP A 94 6.111 3.300 9.438 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.486 3.939 10.432 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.563 2.133 9.118 1.00 0.00 O ATOM 0 H ASP A 94 3.407 5.587 7.237 1.00 0.00 H new ATOM 0 HA ASP A 94 3.712 4.593 10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.415 3.046 8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.552 4.262 7.607 1.00 0.00 H new ATOM 1496 N ASN A 95 4.985 6.660 10.587 1.00 0.00 N ATOM 1497 CA ASN A 95 5.766 7.820 10.981 1.00 0.00 C ATOM 1498 C ASN A 95 7.242 7.567 10.664 1.00 0.00 C ATOM 1499 O ASN A 95 7.862 6.678 11.243 1.00 0.00 O ATOM 1500 CB ASN A 95 5.645 8.081 12.483 1.00 0.00 C ATOM 1501 CG ASN A 95 5.377 9.562 12.762 1.00 0.00 C ATOM 1502 OD1 ASN A 95 6.200 10.426 12.514 1.00 0.00 O ATOM 1503 ND2 ASN A 95 4.180 9.804 13.293 1.00 0.00 N ATOM 0 H ASN A 95 4.407 6.263 11.328 1.00 0.00 H new ATOM 0 HA ASN A 95 5.388 8.683 10.433 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.837 7.477 12.897 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.562 7.773 12.984 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.905 10.760 13.517 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.538 9.033 13.476 1.00 0.00 H new ATOM 1510 N GLY A 96 7.761 8.367 9.743 1.00 0.00 N ATOM 1511 CA GLY A 96 9.151 8.241 9.342 1.00 0.00 C ATOM 1512 C GLY A 96 9.304 7.234 8.202 1.00 0.00 C ATOM 1513 O GLY A 96 10.286 7.272 7.461 1.00 0.00 O ATOM 0 H GLY A 96 7.244 9.104 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.532 9.213 9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.752 7.924 10.195 1.00 0.00 H new ATOM 1517 N GLY A 97 8.319 6.354 8.095 1.00 0.00 N ATOM 1518 CA GLY A 97 8.330 5.337 7.057 1.00 0.00 C ATOM 1519 C GLY A 97 9.363 4.251 7.367 1.00 0.00 C ATOM 1520 O GLY A 97 10.306 4.051 6.603 1.00 0.00 O ATOM 0 H GLY A 97 7.507 6.324 8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.340 4.889 6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.557 5.796 6.095 1.00 0.00 H new ATOM 1524 N THR A 98 9.149 3.578 8.488 1.00 0.00 N ATOM 1525 CA THR A 98 10.049 2.518 8.908 1.00 0.00 C ATOM 1526 C THR A 98 10.134 1.433 7.831 1.00 0.00 C ATOM 1527 O THR A 98 11.201 0.869 7.596 1.00 0.00 O ATOM 1528 CB THR A 98 9.564 1.995 10.262 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.128 2.901 11.206 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.187 0.645 10.624 1.00 0.00 C ATOM 0 H THR A 98 8.365 3.746 9.118 1.00 0.00 H new ATOM 0 HA THR A 98 11.067 2.888 9.033 1.00 0.00 H new ATOM 0 HB THR A 98 8.478 1.902 10.248 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.862 2.637 12.112 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.810 0.319 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.924 -0.092 9.865 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.271 0.746 10.672 1.00 0.00 H new ATOM 1538 N ILE A 99 8.994 1.176 7.207 1.00 0.00 N ATOM 1539 CA ILE A 99 8.926 0.169 6.161 1.00 0.00 C ATOM 1540 C ILE A 99 9.616 0.698 4.903 1.00 0.00 C ATOM 1541 O ILE A 99 10.172 -0.074 4.122 1.00 0.00 O ATOM 1542 CB ILE A 99 7.478 -0.267 5.931 1.00 0.00 C ATOM 1543 CG1 ILE A 99 6.786 -0.591 7.256 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.407 -1.437 4.946 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.479 0.193 7.398 1.00 0.00 C ATOM 0 H ILE A 99 8.111 1.647 7.405 1.00 0.00 H new ATOM 0 HA ILE A 99 9.462 -0.731 6.464 1.00 0.00 H new ATOM 0 HB ILE A 99 6.938 0.566 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.581 -1.660 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.451 -0.351 8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.367 -1.727 4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.837 -1.135 3.991 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.967 -2.283 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.007 -0.056 8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.691 1.262 7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.807 -0.068 6.580 1.00 0.00 H new ATOM 1557 N ALA A 100 9.559 2.013 4.744 1.00 0.00 N ATOM 1558 CA ALA A 100 10.172 2.655 3.593 1.00 0.00 C ATOM 1559 C ALA A 100 11.686 2.719 3.797 1.00 0.00 C ATOM 1560 O ALA A 100 12.451 2.344 2.911 1.00 0.00 O ATOM 1561 CB ALA A 100 9.551 4.039 3.391 1.00 0.00 C ATOM 0 H ALA A 100 9.098 2.651 5.393 1.00 0.00 H new ATOM 0 HA ALA A 100 9.986 2.079 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.010 4.521 2.528 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.479 3.936 3.221 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.721 4.647 4.279 1.00 0.00 H new ATOM 1567 N GLN A 101 12.074 3.197 4.970 1.00 0.00 N ATOM 1568 CA GLN A 101 13.484 3.315 5.303 1.00 0.00 C ATOM 1569 C GLN A 101 14.099 1.928 5.506 1.00 0.00 C ATOM 1570 O GLN A 101 15.290 1.734 5.270 1.00 0.00 O ATOM 1571 CB GLN A 101 13.684 4.191 6.540 1.00 0.00 C ATOM 1572 CG GLN A 101 13.575 3.363 7.821 1.00 0.00 C ATOM 1573 CD GLN A 101 13.505 4.267 9.054 1.00 0.00 C ATOM 1574 OE1 GLN A 101 13.019 5.385 9.009 1.00 0.00 O ATOM 1575 NE2 GLN A 101 14.017 3.722 10.153 1.00 0.00 N ATOM 0 H GLN A 101 11.436 3.508 5.703 1.00 0.00 H new ATOM 0 HA GLN A 101 13.995 3.799 4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 101 14.661 4.672 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 101 12.938 4.986 6.552 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.687 2.733 7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.434 2.697 7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 101 14.408 2.781 10.121 1.00 0.00 H new ATOM 0 HE22 GLN A 101 14.019 4.245 11.029 1.00 0.00 H new ATOM 1584 N SER A 102 13.258 1.002 5.942 1.00 0.00 N ATOM 1585 CA SER A 102 13.704 -0.360 6.179 1.00 0.00 C ATOM 1586 C SER A 102 14.065 -1.033 4.854 1.00 0.00 C ATOM 1587 O SER A 102 14.990 -1.841 4.795 1.00 0.00 O ATOM 1588 CB SER A 102 12.633 -1.171 6.911 1.00 0.00 C ATOM 1589 OG SER A 102 12.907 -2.569 6.880 1.00 0.00 O ATOM 0 H SER A 102 12.271 1.168 6.137 1.00 0.00 H new ATOM 0 HA SER A 102 14.590 -0.323 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.570 -0.837 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.661 -0.982 6.456 1.00 0.00 H new ATOM 0 HG SER A 102 12.201 -3.051 7.359 1.00 0.00 H new ATOM 1595 N LEU A 103 13.316 -0.672 3.821 1.00 0.00 N ATOM 1596 CA LEU A 103 13.545 -1.230 2.500 1.00 0.00 C ATOM 1597 C LEU A 103 14.171 -0.163 1.602 1.00 0.00 C ATOM 1598 O LEU A 103 14.285 -0.352 0.390 1.00 0.00 O ATOM 1599 CB LEU A 103 12.253 -1.826 1.937 1.00 0.00 C ATOM 1600 CG LEU A 103 11.649 -2.987 2.731 1.00 0.00 C ATOM 1601 CD1 LEU A 103 10.130 -2.847 2.837 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.059 -4.333 2.130 1.00 0.00 C ATOM 0 H LEU A 103 12.550 0.000 3.873 1.00 0.00 H new ATOM 0 HA LEU A 103 14.253 -2.057 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.509 -1.032 1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 103 12.447 -2.169 0.921 1.00 0.00 H new ATOM 0 HG LEU A 103 12.047 -2.951 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.726 -3.685 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.885 -1.913 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.694 -2.843 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.617 -5.141 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.708 -4.394 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.145 -4.424 2.149 1.00 0.00 H new ATOM 1614 N ASN A 104 14.561 0.938 2.228 1.00 0.00 N ATOM 1615 CA ASN A 104 15.174 2.036 1.501 1.00 0.00 C ATOM 1616 C ASN A 104 14.302 2.392 0.295 1.00 0.00 C ATOM 1617 O ASN A 104 14.698 2.170 -0.849 1.00 0.00 O ATOM 1618 CB ASN A 104 16.561 1.651 0.984 1.00 0.00 C ATOM 1619 CG ASN A 104 17.113 2.722 0.041 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.280 2.510 -1.150 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.384 3.878 0.636 1.00 0.00 N ATOM 0 H ASN A 104 14.464 1.093 3.232 1.00 0.00 H new ATOM 0 HA ASN A 104 15.267 2.881 2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.242 1.516 1.825 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.506 0.696 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 104 17.756 4.657 0.092 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.220 3.987 1.637 1.00 0.00 H new ATOM 1628 N ILE A 105 13.132 2.938 0.590 1.00 0.00 N ATOM 1629 CA ILE A 105 12.201 3.326 -0.455 1.00 0.00 C ATOM 1630 C ILE A 105 12.075 4.852 -0.480 1.00 0.00 C ATOM 1631 O ILE A 105 11.451 5.440 0.402 1.00 0.00 O ATOM 1632 CB ILE A 105 10.865 2.601 -0.280 1.00 0.00 C ATOM 1633 CG1 ILE A 105 11.074 1.092 -0.149 1.00 0.00 C ATOM 1634 CG2 ILE A 105 9.898 2.951 -1.414 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.745 0.374 0.097 1.00 0.00 C ATOM 0 H ILE A 105 12.807 3.121 1.539 1.00 0.00 H new ATOM 0 HA ILE A 105 12.577 3.021 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 105 10.409 2.944 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.538 0.705 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.760 0.886 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 105 8.956 2.422 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.714 4.025 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.334 2.655 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.922 -0.698 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.296 0.746 1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 105 9.070 0.562 -0.738 1.00 0.00 H new ATOM 1647 N SER A 106 12.677 5.447 -1.498 1.00 0.00 N ATOM 1648 CA SER A 106 12.640 6.891 -1.649 1.00 0.00 C ATOM 1649 C SER A 106 12.237 7.259 -3.078 1.00 0.00 C ATOM 1650 O SER A 106 12.707 8.257 -3.623 1.00 0.00 O ATOM 1651 CB SER A 106 13.992 7.517 -1.301 1.00 0.00 C ATOM 1652 OG SER A 106 15.074 6.827 -1.921 1.00 0.00 O ATOM 0 H SER A 106 13.194 4.955 -2.227 1.00 0.00 H new ATOM 0 HA SER A 106 11.898 7.287 -0.956 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.000 8.561 -1.615 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.128 7.508 -0.220 1.00 0.00 H new ATOM 0 HG SER A 106 15.920 7.257 -1.676 1.00 0.00 H new ATOM 1658 N VAL A 107 11.372 6.432 -3.647 1.00 0.00 N ATOM 1659 CA VAL A 107 10.901 6.657 -5.003 1.00 0.00 C ATOM 1660 C VAL A 107 9.446 6.199 -5.116 1.00 0.00 C ATOM 1661 O VAL A 107 9.099 5.109 -4.668 1.00 0.00 O ATOM 1662 CB VAL A 107 11.827 5.957 -6.002 1.00 0.00 C ATOM 1663 CG1 VAL A 107 12.095 4.511 -5.580 1.00 0.00 C ATOM 1664 CG2 VAL A 107 11.252 6.018 -7.417 1.00 0.00 C ATOM 0 H VAL A 107 10.985 5.605 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 107 10.927 7.720 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 107 12.780 6.487 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.755 4.036 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.568 4.500 -4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.153 3.965 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.929 5.514 -8.107 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.280 5.525 -7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.136 7.059 -7.718 1.00 0.00 H new ATOM 1674 N TYR A 108 8.635 7.057 -5.717 1.00 0.00 N ATOM 1675 CA TYR A 108 7.224 6.754 -5.894 1.00 0.00 C ATOM 1676 C TYR A 108 6.790 6.994 -7.342 1.00 0.00 C ATOM 1677 O TYR A 108 7.376 7.818 -8.041 1.00 0.00 O ATOM 1678 CB TYR A 108 6.467 7.721 -4.981 1.00 0.00 C ATOM 1679 CG TYR A 108 6.743 7.512 -3.489 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.073 6.257 -3.018 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.658 8.577 -2.617 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.332 6.061 -1.615 1.00 0.00 C ATOM 1683 CE2 TYR A 108 6.917 8.381 -1.215 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.241 7.132 -0.783 1.00 0.00 C ATOM 1685 OH TYR A 108 7.484 6.946 0.543 1.00 0.00 O ATOM 0 H TYR A 108 8.927 7.961 -6.087 1.00 0.00 H new ATOM 0 HA TYR A 108 7.023 5.710 -5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.734 8.743 -5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.397 7.613 -5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.137 5.423 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.397 9.558 -2.986 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.593 5.085 -1.233 1.00 0.00 H new ATOM 0 HE2 TYR A 108 6.856 9.207 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 108 7.384 7.798 1.017 1.00 0.00 H new ATOM 1695 N PRO A 109 5.738 6.237 -7.758 1.00 0.00 N ATOM 1696 CA PRO A 109 5.102 5.285 -6.866 1.00 0.00 C ATOM 1697 C PRO A 109 5.970 4.038 -6.685 1.00 0.00 C ATOM 1698 O PRO A 109 6.925 3.829 -7.431 1.00 0.00 O ATOM 1699 CB PRO A 109 3.757 4.983 -7.507 1.00 0.00 C ATOM 1700 CG PRO A 109 3.881 5.415 -8.960 1.00 0.00 C ATOM 1701 CD PRO A 109 5.131 6.271 -9.086 1.00 0.00 C ATOM 0 HA PRO A 109 4.969 5.678 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.519 3.922 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.955 5.525 -7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.947 4.545 -9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.000 5.978 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.809 5.874 -9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.885 7.290 -9.383 1.00 0.00 H new ATOM 1709 N SER A 110 5.608 3.243 -5.690 1.00 0.00 N ATOM 1710 CA SER A 110 6.342 2.022 -5.401 1.00 0.00 C ATOM 1711 C SER A 110 5.382 0.940 -4.906 1.00 0.00 C ATOM 1712 O SER A 110 4.310 1.244 -4.386 1.00 0.00 O ATOM 1713 CB SER A 110 7.439 2.272 -4.364 1.00 0.00 C ATOM 1714 OG SER A 110 8.685 2.602 -4.974 1.00 0.00 O ATOM 0 H SER A 110 4.815 3.420 -5.073 1.00 0.00 H new ATOM 0 HA SER A 110 6.819 1.683 -6.321 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.134 3.082 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.562 1.383 -3.745 1.00 0.00 H new ATOM 0 HG SER A 110 8.904 3.538 -4.785 1.00 0.00 H new ATOM 1720 N TRP A 111 5.801 -0.305 -5.086 1.00 0.00 N ATOM 1721 CA TRP A 111 4.991 -1.436 -4.665 1.00 0.00 C ATOM 1722 C TRP A 111 5.873 -2.362 -3.823 1.00 0.00 C ATOM 1723 O TRP A 111 7.052 -2.542 -4.124 1.00 0.00 O ATOM 1724 CB TRP A 111 4.364 -2.140 -5.870 1.00 0.00 C ATOM 1725 CG TRP A 111 3.339 -1.291 -6.623 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.560 -0.408 -7.605 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.910 -1.281 -6.412 1.00 0.00 C ATOM 1728 NE1 TRP A 111 2.386 0.169 -8.042 1.00 0.00 N ATOM 1729 CE2 TRP A 111 1.350 -0.379 -7.294 1.00 0.00 C ATOM 1730 CE3 TRP A 111 1.119 -2.010 -5.508 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.025 -0.123 -7.357 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.253 -1.742 -5.583 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -0.833 -0.838 -6.466 1.00 0.00 C ATOM 0 H TRP A 111 6.691 -0.555 -5.518 1.00 0.00 H new ATOM 0 HA TRP A 111 4.152 -1.104 -4.054 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.156 -2.432 -6.560 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.882 -3.057 -5.532 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.536 -0.176 -8.005 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.295 0.869 -8.778 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.536 -2.721 -4.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.440 0.588 -8.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.907 -2.275 -4.908 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.903 -0.688 -6.464 1.00 0.00 H new ATOM 1744 N ALA A 112 5.268 -2.922 -2.788 1.00 0.00 N ATOM 1745 CA ALA A 112 5.983 -3.826 -1.902 1.00 0.00 C ATOM 1746 C ALA A 112 5.202 -5.134 -1.775 1.00 0.00 C ATOM 1747 O ALA A 112 3.977 -5.121 -1.664 1.00 0.00 O ATOM 1748 CB ALA A 112 6.203 -3.143 -0.549 1.00 0.00 C ATOM 0 H ALA A 112 4.290 -2.768 -2.542 1.00 0.00 H new ATOM 0 HA ALA A 112 6.964 -4.068 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.739 -3.819 0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.788 -2.234 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.239 -2.889 -0.109 1.00 0.00 H new ATOM 1754 N LEU A 113 5.943 -6.233 -1.795 1.00 0.00 N ATOM 1755 CA LEU A 113 5.335 -7.547 -1.684 1.00 0.00 C ATOM 1756 C LEU A 113 5.673 -8.147 -0.317 1.00 0.00 C ATOM 1757 O LEU A 113 6.840 -8.206 0.067 1.00 0.00 O ATOM 1758 CB LEU A 113 5.751 -8.430 -2.863 1.00 0.00 C ATOM 1759 CG LEU A 113 4.956 -9.726 -3.043 1.00 0.00 C ATOM 1760 CD1 LEU A 113 3.475 -9.429 -3.287 1.00 0.00 C ATOM 1761 CD2 LEU A 113 5.560 -10.589 -4.152 1.00 0.00 C ATOM 0 H LEU A 113 6.959 -6.239 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 113 4.249 -7.471 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.665 -7.844 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.804 -8.686 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 113 5.021 -10.300 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.932 -10.366 -3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.068 -8.884 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.369 -8.825 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.977 -11.504 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.545 -10.037 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.589 -10.843 -3.896 1.00 0.00 H new ATOM 1773 N ILE A 114 4.631 -8.574 0.379 1.00 0.00 N ATOM 1774 CA ILE A 114 4.802 -9.166 1.695 1.00 0.00 C ATOM 1775 C ILE A 114 4.266 -10.599 1.678 1.00 0.00 C ATOM 1776 O ILE A 114 3.072 -10.818 1.482 1.00 0.00 O ATOM 1777 CB ILE A 114 4.161 -8.284 2.767 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.852 -6.920 2.840 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.145 -8.992 4.123 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.336 -7.076 3.186 1.00 0.00 C ATOM 0 H ILE A 114 3.665 -8.522 0.057 1.00 0.00 H new ATOM 0 HA ILE A 114 5.860 -9.223 1.952 1.00 0.00 H new ATOM 0 HB ILE A 114 3.123 -8.105 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.750 -6.405 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.363 -6.300 3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.684 -8.343 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.573 -9.917 4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.167 -9.222 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.804 -6.093 3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.434 -7.570 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.827 -7.676 2.420 1.00 0.00 H new ATOM 1792 N GLY A 115 5.177 -11.540 1.885 1.00 0.00 N ATOM 1793 CA GLY A 115 4.811 -12.946 1.896 1.00 0.00 C ATOM 1794 C GLY A 115 3.520 -13.171 2.684 1.00 0.00 C ATOM 1795 O GLY A 115 3.059 -12.278 3.395 1.00 0.00 O ATOM 0 H GLY A 115 6.167 -11.356 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.683 -13.300 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.617 -13.532 2.337 1.00 0.00 H new ATOM 1799 N LYS A 116 2.972 -14.368 2.533 1.00 0.00 N ATOM 1800 CA LYS A 116 1.742 -14.720 3.222 1.00 0.00 C ATOM 1801 C LYS A 116 2.020 -14.843 4.722 1.00 0.00 C ATOM 1802 O LYS A 116 1.091 -14.885 5.527 1.00 0.00 O ATOM 1803 CB LYS A 116 1.126 -15.978 2.607 1.00 0.00 C ATOM 1804 CG LYS A 116 1.962 -17.217 2.934 1.00 0.00 C ATOM 1805 CD LYS A 116 1.377 -18.465 2.272 1.00 0.00 C ATOM 1806 CE LYS A 116 2.415 -19.152 1.382 1.00 0.00 C ATOM 1807 NZ LYS A 116 1.882 -20.428 0.854 1.00 0.00 N ATOM 0 H LYS A 116 3.357 -15.106 1.944 1.00 0.00 H new ATOM 0 HA LYS A 116 0.997 -13.934 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.111 -16.111 2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.053 -15.860 1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.987 -17.068 2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.001 -17.359 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.033 -19.160 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.506 -18.191 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.686 -18.495 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 116 3.325 -19.339 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 2.599 -20.881 0.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 1.645 -21.059 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 1.027 -20.241 0.293 1.00 0.00 H new ATOM 1820 N ASP A 117 3.302 -14.896 5.051 1.00 0.00 N ATOM 1821 CA ASP A 117 3.713 -15.012 6.440 1.00 0.00 C ATOM 1822 C ASP A 117 3.822 -13.615 7.054 1.00 0.00 C ATOM 1823 O ASP A 117 3.761 -13.462 8.273 1.00 0.00 O ATOM 1824 CB ASP A 117 5.081 -15.687 6.555 1.00 0.00 C ATOM 1825 CG ASP A 117 5.044 -17.214 6.644 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.624 -17.899 5.700 1.00 0.00 O ATOM 1827 OD2 ASP A 117 5.475 -17.707 7.756 1.00 0.00 O ATOM 0 H ASP A 117 4.070 -14.861 4.380 1.00 0.00 H new ATOM 0 HA ASP A 117 2.969 -15.613 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.683 -15.403 5.692 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.588 -15.299 7.439 1.00 0.00 H new ATOM 1833 N GLY A 118 3.980 -12.631 6.181 1.00 0.00 N ATOM 1834 CA GLY A 118 4.099 -11.252 6.622 1.00 0.00 C ATOM 1835 C GLY A 118 5.553 -10.779 6.564 1.00 0.00 C ATOM 1836 O GLY A 118 5.942 -9.865 7.288 1.00 0.00 O ATOM 0 H GLY A 118 4.028 -12.761 5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.480 -10.611 5.994 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.723 -11.159 7.641 1.00 0.00 H new ATOM 1840 N ASP A 119 6.318 -11.426 5.694 1.00 0.00 N ATOM 1841 CA ASP A 119 7.720 -11.083 5.532 1.00 0.00 C ATOM 1842 C ASP A 119 7.932 -10.465 4.149 1.00 0.00 C ATOM 1843 O ASP A 119 7.189 -10.759 3.213 1.00 0.00 O ATOM 1844 CB ASP A 119 8.605 -12.327 5.635 1.00 0.00 C ATOM 1845 CG ASP A 119 8.520 -13.282 4.444 1.00 0.00 C ATOM 1846 OD1 ASP A 119 7.591 -14.099 4.345 1.00 0.00 O ATOM 1847 OD2 ASP A 119 9.473 -13.166 3.581 1.00 0.00 O ATOM 0 H ASP A 119 5.992 -12.185 5.095 1.00 0.00 H new ATOM 0 HA ASP A 119 7.990 -10.381 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.641 -12.009 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.335 -12.873 6.539 1.00 0.00 H new ATOM 1853 N VAL A 120 8.950 -9.621 4.064 1.00 0.00 N ATOM 1854 CA VAL A 120 9.269 -8.959 2.809 1.00 0.00 C ATOM 1855 C VAL A 120 9.541 -10.014 1.736 1.00 0.00 C ATOM 1856 O VAL A 120 10.526 -10.746 1.815 1.00 0.00 O ATOM 1857 CB VAL A 120 10.440 -7.995 3.012 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.963 -7.480 1.669 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.044 -6.834 3.927 1.00 0.00 C ATOM 0 H VAL A 120 9.564 -9.380 4.842 1.00 0.00 H new ATOM 0 HA VAL A 120 8.426 -8.359 2.467 1.00 0.00 H new ATOM 0 HB VAL A 120 11.246 -8.544 3.499 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.795 -6.797 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.303 -8.321 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 120 10.164 -6.955 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.895 -6.164 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.214 -6.286 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.741 -7.224 4.899 1.00 0.00 H new ATOM 1869 N GLN A 121 8.652 -10.058 0.756 1.00 0.00 N ATOM 1870 CA GLN A 121 8.784 -11.010 -0.333 1.00 0.00 C ATOM 1871 C GLN A 121 9.675 -10.436 -1.436 1.00 0.00 C ATOM 1872 O GLN A 121 10.690 -11.032 -1.793 1.00 0.00 O ATOM 1873 CB GLN A 121 7.412 -11.405 -0.885 1.00 0.00 C ATOM 1874 CG GLN A 121 7.075 -12.855 -0.532 1.00 0.00 C ATOM 1875 CD GLN A 121 5.840 -13.334 -1.298 1.00 0.00 C ATOM 1876 OE1 GLN A 121 5.151 -12.570 -1.954 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.601 -14.637 -1.179 1.00 0.00 N ATOM 0 H GLN A 121 7.836 -9.449 0.693 1.00 0.00 H new ATOM 0 HA GLN A 121 9.257 -11.912 0.055 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.648 -10.741 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 121 7.402 -11.279 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.924 -13.497 -0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.898 -12.940 0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 121 6.219 -15.219 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 121 4.800 -15.054 -1.653 1.00 0.00 H new ATOM 1886 N ARG A 122 9.261 -9.285 -1.946 1.00 0.00 N ATOM 1887 CA ARG A 122 10.010 -8.624 -3.004 1.00 0.00 C ATOM 1888 C ARG A 122 9.669 -7.133 -3.040 1.00 0.00 C ATOM 1889 O ARG A 122 8.615 -6.721 -2.557 1.00 0.00 O ATOM 1890 CB ARG A 122 9.703 -9.245 -4.367 1.00 0.00 C ATOM 1891 CG ARG A 122 10.923 -9.174 -5.287 1.00 0.00 C ATOM 1892 CD ARG A 122 11.139 -10.503 -6.016 1.00 0.00 C ATOM 1893 NE ARG A 122 12.534 -10.593 -6.500 1.00 0.00 N ATOM 1894 CZ ARG A 122 13.016 -11.621 -7.232 1.00 0.00 C ATOM 1895 NH1 ARG A 122 12.216 -12.654 -7.571 1.00 0.00 N ATOM 1896 NH2 ARG A 122 14.279 -11.599 -7.612 1.00 0.00 N ATOM 0 H ARG A 122 8.419 -8.793 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 122 11.071 -8.753 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.400 -10.284 -4.238 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.864 -8.724 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.788 -8.374 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 122 11.810 -8.927 -4.703 1.00 0.00 H new ATOM 0 HD2 ARG A 122 10.924 -11.335 -5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 122 10.448 -10.583 -6.855 1.00 0.00 H new ATOM 0 HE ARG A 122 13.171 -9.832 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.240 -12.662 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.587 -13.427 -8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 122 14.876 -10.814 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.659 -12.367 -8.165 1.00 0.00 H new ATOM 1909 N ILE A 123 10.579 -6.365 -3.620 1.00 0.00 N ATOM 1910 CA ILE A 123 10.388 -4.928 -3.728 1.00 0.00 C ATOM 1911 C ILE A 123 10.264 -4.544 -5.203 1.00 0.00 C ATOM 1912 O ILE A 123 11.034 -5.016 -6.038 1.00 0.00 O ATOM 1913 CB ILE A 123 11.501 -4.182 -2.989 1.00 0.00 C ATOM 1914 CG1 ILE A 123 11.075 -2.753 -2.653 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.807 -4.218 -3.787 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.289 -2.452 -1.168 1.00 0.00 C ATOM 0 H ILE A 123 11.451 -6.710 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 123 9.459 -4.630 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 123 11.685 -4.693 -2.044 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.646 -2.048 -3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 123 10.025 -2.613 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 123 13.582 -3.681 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 123 13.116 -5.253 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.654 -3.746 -4.757 1.00 0.00 H new ATOM 0 HD11 ILE A 123 10.978 -1.429 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 123 10.697 -3.143 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.344 -2.569 -0.921 1.00 0.00 H new ATOM 1928 N VAL A 124 9.288 -3.691 -5.479 1.00 0.00 N ATOM 1929 CA VAL A 124 9.053 -3.237 -6.839 1.00 0.00 C ATOM 1930 C VAL A 124 8.965 -1.709 -6.856 1.00 0.00 C ATOM 1931 O VAL A 124 8.254 -1.118 -6.045 1.00 0.00 O ATOM 1932 CB VAL A 124 7.804 -3.914 -7.409 1.00 0.00 C ATOM 1933 CG1 VAL A 124 7.535 -3.452 -8.841 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.927 -5.438 -7.337 1.00 0.00 C ATOM 0 H VAL A 124 8.651 -3.302 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 124 9.884 -3.521 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 124 6.952 -3.617 -6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 124 6.642 -3.948 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.383 -2.373 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 124 8.388 -3.705 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 124 7.027 -5.895 -7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.794 -5.761 -7.914 1.00 0.00 H new ATOM 0 HG23 VAL A 124 8.048 -5.745 -6.298 1.00 0.00 H new ATOM 1944 N LYS A 125 9.697 -1.117 -7.787 1.00 0.00 N ATOM 1945 CA LYS A 125 9.711 0.331 -7.918 1.00 0.00 C ATOM 1946 C LYS A 125 9.080 0.722 -9.256 1.00 0.00 C ATOM 1947 O LYS A 125 9.372 0.117 -10.284 1.00 0.00 O ATOM 1948 CB LYS A 125 11.128 0.873 -7.725 1.00 0.00 C ATOM 1949 CG LYS A 125 12.153 0.000 -8.450 1.00 0.00 C ATOM 1950 CD LYS A 125 13.531 0.665 -8.461 1.00 0.00 C ATOM 1951 CE LYS A 125 13.592 1.780 -9.506 1.00 0.00 C ATOM 1952 NZ LYS A 125 14.964 2.331 -9.599 1.00 0.00 N ATOM 0 H LYS A 125 10.285 -1.612 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 125 9.110 0.791 -7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.185 1.895 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.365 0.911 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.218 -0.972 -7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.824 -0.179 -9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.750 1.074 -7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.297 -0.081 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.283 1.393 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 125 12.893 2.573 -9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 14.987 3.087 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.246 2.718 -8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.624 1.575 -9.873 1.00 0.00 H new ATOM 1965 N GLY A 126 8.224 1.732 -9.197 1.00 0.00 N ATOM 1966 CA GLY A 126 7.549 2.212 -10.391 1.00 0.00 C ATOM 1967 C GLY A 126 6.030 2.172 -10.214 1.00 0.00 C ATOM 1968 O GLY A 126 5.509 2.595 -9.183 1.00 0.00 O ATOM 0 H GLY A 126 7.983 2.231 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.867 3.232 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.836 1.600 -11.246 1.00 0.00 H new ATOM 1972 N SER A 127 5.361 1.659 -11.236 1.00 0.00 N ATOM 1973 CA SER A 127 3.911 1.559 -11.208 1.00 0.00 C ATOM 1974 C SER A 127 3.450 0.400 -12.096 1.00 0.00 C ATOM 1975 O SER A 127 4.140 0.027 -13.043 1.00 0.00 O ATOM 1976 CB SER A 127 3.260 2.867 -11.661 1.00 0.00 C ATOM 1977 OG SER A 127 2.302 3.340 -10.719 1.00 0.00 O ATOM 0 H SER A 127 5.796 1.308 -12.089 1.00 0.00 H new ATOM 0 HA SER A 127 3.600 1.368 -10.181 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.030 3.624 -11.806 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.776 2.716 -12.626 1.00 0.00 H new ATOM 0 HG SER A 127 1.910 4.178 -11.043 1.00 0.00 H new ATOM 1983 N ILE A 128 2.287 -0.135 -11.756 1.00 0.00 N ATOM 1984 CA ILE A 128 1.725 -1.243 -12.510 1.00 0.00 C ATOM 1985 C ILE A 128 0.274 -0.922 -12.876 1.00 0.00 C ATOM 1986 O ILE A 128 -0.331 -0.023 -12.295 1.00 0.00 O ATOM 1987 CB ILE A 128 1.888 -2.553 -11.738 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.490 -2.380 -10.271 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.310 -3.102 -11.885 1.00 0.00 C ATOM 1990 CD1 ILE A 128 1.081 -3.717 -9.651 1.00 0.00 C ATOM 0 H ILE A 128 1.718 0.178 -10.969 1.00 0.00 H new ATOM 0 HA ILE A 128 2.267 -1.381 -13.445 1.00 0.00 H new ATOM 0 HB ILE A 128 1.211 -3.290 -12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.324 -1.956 -9.712 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.664 -1.673 -10.196 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.400 -4.034 -11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.521 -3.288 -12.938 1.00 0.00 H new ATOM 0 HG23 ILE A 128 4.023 -2.375 -11.495 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.803 -3.565 -8.608 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.231 -4.126 -10.197 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.917 -4.414 -9.706 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.240 -1.675 -13.836 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.608 -1.481 -14.287 1.00 0.00 C ATOM 2004 C ASN A 129 -2.468 -2.654 -13.809 1.00 0.00 C ATOM 2005 O ASN A 129 -1.943 -3.665 -13.345 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.684 -1.432 -15.814 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.700 -2.420 -16.445 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.640 -3.587 -16.091 1.00 0.00 O ATOM 2009 ND2 ASN A 129 0.066 -1.890 -17.393 1.00 0.00 N ATOM 0 H ASN A 129 0.265 -2.421 -14.314 1.00 0.00 H new ATOM 0 HA ASN A 129 -1.967 -0.537 -13.878 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.698 -1.666 -16.139 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.463 -0.422 -16.160 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.756 -2.468 -17.873 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -0.036 -0.906 -17.640 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.775 -2.477 -13.938 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.713 -3.508 -13.524 1.00 0.00 C ATOM 2018 C GLU A 130 -4.321 -4.857 -14.132 1.00 0.00 C ATOM 2019 O GLU A 130 -4.440 -5.893 -13.480 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.146 -3.130 -13.906 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.147 -4.144 -13.349 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.400 -4.215 -14.225 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -8.387 -3.728 -15.364 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.410 -4.807 -13.683 1.00 0.00 O ATOM 0 H GLU A 130 -4.206 -1.637 -14.323 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.672 -3.595 -12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.378 -2.136 -13.523 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.237 -3.083 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.681 -5.128 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.425 -3.866 -12.332 1.00 0.00 H new ATOM 2032 N ALA A 131 -3.861 -4.800 -15.372 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.451 -6.005 -16.074 1.00 0.00 C ATOM 2034 C ALA A 131 -2.355 -6.709 -15.272 1.00 0.00 C ATOM 2035 O ALA A 131 -2.457 -7.902 -14.990 1.00 0.00 O ATOM 2036 CB ALA A 131 -2.995 -5.641 -17.489 1.00 0.00 C ATOM 0 H ALA A 131 -3.763 -3.939 -15.910 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.287 -6.698 -16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.687 -6.544 -18.016 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -3.818 -5.170 -18.027 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.154 -4.949 -17.434 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.332 -5.941 -14.927 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.218 -6.477 -14.163 1.00 0.00 C ATOM 2044 C GLN A 132 -0.730 -7.198 -12.913 1.00 0.00 C ATOM 2045 O GLN A 132 -0.281 -8.298 -12.601 1.00 0.00 O ATOM 2046 CB GLN A 132 0.773 -5.372 -13.792 1.00 0.00 C ATOM 2047 CG GLN A 132 2.001 -5.410 -14.702 1.00 0.00 C ATOM 2048 CD GLN A 132 2.208 -4.062 -15.401 1.00 0.00 C ATOM 2049 OE1 GLN A 132 1.929 -3.005 -14.859 1.00 0.00 O ATOM 2050 NE2 GLN A 132 2.709 -4.161 -16.628 1.00 0.00 N ATOM 0 H GLN A 132 -1.251 -4.952 -15.162 1.00 0.00 H new ATOM 0 HA GLN A 132 0.310 -7.200 -14.785 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.286 -4.400 -13.872 1.00 0.00 H new ATOM 0 HB3 GLN A 132 1.082 -5.489 -12.753 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.885 -5.659 -14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.881 -6.196 -15.448 1.00 0.00 H new ATOM 0 HE21 GLN A 132 2.920 -5.079 -17.020 1.00 0.00 H new ATOM 0 HE22 GLN A 132 2.883 -3.319 -17.177 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.661 -6.545 -12.233 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.238 -7.109 -11.025 1.00 0.00 C ATOM 2061 C ALA A 133 -3.005 -8.384 -11.379 1.00 0.00 C ATOM 2062 O ALA A 133 -3.014 -9.343 -10.607 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.127 -6.064 -10.346 1.00 0.00 C ATOM 0 H ALA A 133 -2.030 -5.631 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.455 -7.380 -10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.560 -6.488 -9.440 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.529 -5.190 -10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -3.926 -5.769 -11.026 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.630 -8.357 -12.547 1.00 0.00 N ATOM 2070 CA LEU A 134 -4.397 -9.499 -13.014 1.00 0.00 C ATOM 2071 C LEU A 134 -3.440 -10.627 -13.401 1.00 0.00 C ATOM 2072 O LEU A 134 -3.585 -11.757 -12.937 1.00 0.00 O ATOM 2073 CB LEU A 134 -5.347 -9.083 -14.139 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.496 -8.156 -13.739 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.743 -8.434 -14.581 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.784 -8.256 -12.240 1.00 0.00 C ATOM 0 H LEU A 134 -3.621 -7.561 -13.185 1.00 0.00 H new ATOM 0 HA LEU A 134 -5.034 -9.882 -12.217 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.763 -8.591 -14.917 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.771 -9.984 -14.581 1.00 0.00 H new ATOM 0 HG LEU A 134 -6.193 -7.129 -13.941 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -8.545 -7.762 -14.276 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -7.514 -8.272 -15.634 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -8.059 -9.466 -14.433 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.605 -7.587 -11.982 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.059 -9.281 -11.990 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.894 -7.972 -11.679 1.00 0.00 H new