USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 740 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 57 HIS : no HD1:sc= -4.41 K(o=-3.8,f=-9.6!) USER MOD Set 1.2: A 74 SER OG : rot -127:sc= -0.5 USER MOD Set 1.3: A 78 THR OG1 : rot 41:sc= 1.11 USER MOD Single : A 10 THR OG1 : rot 40:sc= 0.16 USER MOD Single : A 12 SER OG : rot -82:sc= 1.17 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 130:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 160:sc= -2.62 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 68:sc= 1.13 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 70 GLN : amide:sc= -1.51! X(o=-1.5!,f=-1.1) USER MOD Single : A 81 ASN : amide:sc= -2.72! C(o=-2.7!,f=-7.1!) USER MOD Single : A 82 SER OG : rot 43:sc= 0.454 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 90 SER OG : rot 35:sc= 0.0792 USER MOD Single : A 92 ASN : amide:sc= -1.7 K(o=-1.7,f=-2.7!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0485 USER MOD Single : A 106 SER OG : rot 180:sc= -1.01 USER MOD Single : A 110 ASN : amide:sc= -0.745 K(o=-0.75,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 10 -11.186 -10.634 -3.423 1.00 0.00 N ATOM 100 CA THR A 10 -10.013 -9.961 -2.891 1.00 0.00 C ATOM 101 C THR A 10 -10.411 -8.643 -2.224 1.00 0.00 C ATOM 102 O THR A 10 -11.119 -7.831 -2.818 1.00 0.00 O ATOM 103 CB THR A 10 -9.011 -9.784 -4.034 1.00 0.00 C ATOM 104 OG1 THR A 10 -8.828 -11.103 -4.543 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.622 -9.380 -3.537 1.00 0.00 C ATOM 0 HA THR A 10 -9.537 -10.554 -2.110 1.00 0.00 H new ATOM 0 HB THR A 10 -9.382 -9.030 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.689 -11.570 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.950 -9.268 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.689 -8.434 -3.000 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.236 -10.150 -2.869 1.00 0.00 H new ATOM 113 N PRO A 11 -9.928 -8.468 -0.965 1.00 0.00 N ATOM 114 CA PRO A 11 -10.226 -7.263 -0.210 1.00 0.00 C ATOM 115 C PRO A 11 -9.410 -6.076 -0.726 1.00 0.00 C ATOM 116 O PRO A 11 -8.295 -6.251 -1.215 1.00 0.00 O ATOM 117 CB PRO A 11 -9.912 -7.616 1.235 1.00 0.00 C ATOM 118 CG PRO A 11 -9.015 -8.842 1.179 1.00 0.00 C ATOM 119 CD PRO A 11 -9.087 -9.408 -0.229 1.00 0.00 C ATOM 0 HA PRO A 11 -11.265 -6.949 -0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.412 -6.789 1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.825 -7.825 1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.989 -8.576 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.339 -9.586 1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.096 -9.486 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.517 -10.410 -0.231 1.00 0.00 H new ATOM 127 N SER A 12 -9.997 -4.895 -0.599 1.00 0.00 N ATOM 128 CA SER A 12 -9.338 -3.680 -1.047 1.00 0.00 C ATOM 129 C SER A 12 -8.169 -3.346 -0.118 1.00 0.00 C ATOM 130 O SER A 12 -8.222 -3.628 1.078 1.00 0.00 O ATOM 131 CB SER A 12 -10.321 -2.509 -1.105 1.00 0.00 C ATOM 132 OG SER A 12 -10.506 -2.032 -2.435 1.00 0.00 O ATOM 0 H SER A 12 -10.922 -4.754 -0.192 1.00 0.00 H new ATOM 0 HA SER A 12 -8.957 -3.849 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.281 -2.821 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.955 -1.697 -0.476 1.00 0.00 H new ATOM 0 HG SER A 12 -9.772 -1.427 -2.671 1.00 0.00 H new ATOM 138 N LEU A 13 -7.141 -2.749 -0.704 1.00 0.00 N ATOM 139 CA LEU A 13 -5.961 -2.373 0.057 1.00 0.00 C ATOM 140 C LEU A 13 -6.122 -0.938 0.563 1.00 0.00 C ATOM 141 O LEU A 13 -6.277 -0.010 -0.230 1.00 0.00 O ATOM 142 CB LEU A 13 -4.696 -2.595 -0.774 1.00 0.00 C ATOM 143 CG LEU A 13 -3.369 -2.356 -0.051 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.205 -3.319 1.127 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.192 -2.436 -1.025 1.00 0.00 C ATOM 0 H LEU A 13 -7.101 -2.516 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.854 -3.010 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.705 -3.619 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.737 -1.939 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.380 -1.346 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.254 -3.128 1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.020 -3.170 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.224 -4.346 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.261 -2.262 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.166 -3.424 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.309 -1.678 -1.800 1.00 0.00 H new ATOM 157 N ARG A 14 -6.079 -0.801 1.880 1.00 0.00 N ATOM 158 CA ARG A 14 -6.217 0.505 2.501 1.00 0.00 C ATOM 159 C ARG A 14 -4.957 0.851 3.297 1.00 0.00 C ATOM 160 O ARG A 14 -4.774 0.372 4.415 1.00 0.00 O ATOM 161 CB ARG A 14 -7.429 0.546 3.435 1.00 0.00 C ATOM 162 CG ARG A 14 -7.714 1.975 3.901 1.00 0.00 C ATOM 163 CD ARG A 14 -8.431 1.977 5.253 1.00 0.00 C ATOM 164 NE ARG A 14 -9.388 0.851 5.320 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.113 0.545 6.405 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.995 1.280 7.519 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.957 -0.496 6.375 1.00 0.00 N ATOM 0 H ARG A 14 -5.951 -1.573 2.534 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.360 1.236 1.705 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.303 0.146 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.248 -0.093 4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.779 2.529 3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.326 2.488 3.160 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.703 1.895 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.957 2.921 5.393 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.503 0.271 4.489 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.353 2.073 7.541 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.547 1.047 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.047 -1.055 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.509 -0.729 7.201 1.00 0.00 H new ATOM 181 N LEU A 15 -4.121 1.680 2.689 1.00 0.00 N ATOM 182 CA LEU A 15 -2.883 2.095 3.328 1.00 0.00 C ATOM 183 C LEU A 15 -3.156 3.307 4.221 1.00 0.00 C ATOM 184 O LEU A 15 -3.411 4.403 3.725 1.00 0.00 O ATOM 185 CB LEU A 15 -1.795 2.337 2.279 1.00 0.00 C ATOM 186 CG LEU A 15 -1.277 1.095 1.552 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.464 1.483 0.315 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.483 0.195 2.500 1.00 0.00 C ATOM 0 H LEU A 15 -4.276 2.075 1.762 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.503 1.303 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.183 3.033 1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.952 2.827 2.765 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.136 0.519 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.107 0.582 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.093 2.052 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.388 2.092 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.126 -0.680 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.369 0.747 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.124 -0.124 3.322 1.00 0.00 H new ATOM 200 N VAL A 16 -3.095 3.068 5.523 1.00 0.00 N ATOM 201 CA VAL A 16 -3.333 4.126 6.490 1.00 0.00 C ATOM 202 C VAL A 16 -1.992 4.635 7.022 1.00 0.00 C ATOM 203 O VAL A 16 -1.167 3.850 7.489 1.00 0.00 O ATOM 204 CB VAL A 16 -4.264 3.624 7.596 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.458 4.692 8.675 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.608 3.176 7.019 1.00 0.00 C ATOM 0 H VAL A 16 -2.884 2.157 5.931 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.837 4.970 6.018 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.795 2.758 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.124 4.310 9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.493 4.942 9.117 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.895 5.585 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.251 2.824 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.086 4.016 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.446 2.368 6.305 1.00 0.00 H new ATOM 216 N PHE A 17 -1.815 5.945 6.935 1.00 0.00 N ATOM 217 CA PHE A 17 -0.589 6.568 7.402 1.00 0.00 C ATOM 218 C PHE A 17 -0.647 6.833 8.908 1.00 0.00 C ATOM 219 O PHE A 17 -1.092 7.897 9.337 1.00 0.00 O ATOM 220 CB PHE A 17 -0.456 7.902 6.666 1.00 0.00 C ATOM 221 CG PHE A 17 0.122 7.779 5.254 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.465 7.656 5.078 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.707 7.794 4.176 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.002 7.542 3.768 1.00 0.00 C ATOM 225 CE2 PHE A 17 -0.170 7.680 2.866 1.00 0.00 C ATOM 226 CZ PHE A 17 1.173 7.556 2.690 1.00 0.00 C ATOM 0 H PHE A 17 -2.501 6.593 6.548 1.00 0.00 H new ATOM 0 HA PHE A 17 0.259 5.911 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.438 8.372 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.180 8.566 7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.123 7.645 5.934 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.773 7.893 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.068 7.444 3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.828 7.692 2.010 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.581 7.469 1.694 1.00 0.00 H new ATOM 236 N VAL A 18 -0.192 5.848 9.668 1.00 0.00 N ATOM 237 CA VAL A 18 -0.187 5.962 11.117 1.00 0.00 C ATOM 238 C VAL A 18 0.962 6.875 11.548 1.00 0.00 C ATOM 239 O VAL A 18 0.867 7.560 12.565 1.00 0.00 O ATOM 240 CB VAL A 18 -0.117 4.572 11.751 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.465 3.855 11.652 1.00 0.00 C ATOM 242 CG2 VAL A 18 0.996 3.736 11.116 1.00 0.00 C ATOM 0 H VAL A 18 0.176 4.967 9.308 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.113 6.418 11.468 1.00 0.00 H new ATOM 0 HB VAL A 18 0.119 4.697 12.808 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.387 2.869 12.110 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.226 4.438 12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.743 3.747 10.604 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.025 2.752 11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.803 3.624 10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.954 4.235 11.261 1.00 0.00 H new ATOM 252 N LYS A 19 2.022 6.855 10.754 1.00 0.00 N ATOM 253 CA LYS A 19 3.189 7.672 11.041 1.00 0.00 C ATOM 254 C LYS A 19 3.673 8.334 9.749 1.00 0.00 C ATOM 255 O LYS A 19 3.048 8.186 8.700 1.00 0.00 O ATOM 256 CB LYS A 19 4.263 6.843 11.747 1.00 0.00 C ATOM 257 CG LYS A 19 3.754 6.316 13.091 1.00 0.00 C ATOM 258 CD LYS A 19 4.847 6.391 14.158 1.00 0.00 C ATOM 259 CE LYS A 19 4.321 5.919 15.515 1.00 0.00 C ATOM 260 NZ LYS A 19 3.835 7.069 16.311 1.00 0.00 N ATOM 0 H LYS A 19 2.097 6.285 9.911 1.00 0.00 H new ATOM 0 HA LYS A 19 2.932 8.474 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.558 6.007 11.113 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.153 7.453 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.889 6.898 13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.421 5.284 12.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.695 5.776 13.859 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.210 7.415 14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.513 5.203 15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.112 5.401 16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.482 6.731 17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.615 7.739 16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.066 7.546 15.798 1.00 0.00 H new ATOM 274 N GLY A 20 4.782 9.050 9.868 1.00 0.00 N ATOM 275 CA GLY A 20 5.357 9.735 8.723 1.00 0.00 C ATOM 276 C GLY A 20 4.784 11.146 8.584 1.00 0.00 C ATOM 277 O GLY A 20 4.058 11.615 9.460 1.00 0.00 O ATOM 0 H GLY A 20 5.297 9.170 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.440 9.788 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.156 9.166 7.815 1.00 0.00 H new ATOM 281 N PRO A 21 5.140 11.802 7.447 1.00 0.00 N ATOM 282 CA PRO A 21 4.670 13.151 7.182 1.00 0.00 C ATOM 283 C PRO A 21 3.199 13.145 6.759 1.00 0.00 C ATOM 284 O PRO A 21 2.536 14.180 6.795 1.00 0.00 O ATOM 285 CB PRO A 21 5.596 13.686 6.103 1.00 0.00 C ATOM 286 CG PRO A 21 6.253 12.467 5.475 1.00 0.00 C ATOM 287 CD PRO A 21 5.998 11.279 6.388 1.00 0.00 C ATOM 0 HA PRO A 21 4.701 13.789 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.040 14.257 5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.343 14.357 6.527 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.843 12.281 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.324 12.631 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.512 10.464 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.930 10.883 6.792 1.00 0.00 H new ATOM 295 N ARG A 22 2.734 11.968 6.368 1.00 0.00 N ATOM 296 CA ARG A 22 1.354 11.814 5.939 1.00 0.00 C ATOM 297 C ARG A 22 0.501 11.259 7.082 1.00 0.00 C ATOM 298 O ARG A 22 -0.683 10.982 6.899 1.00 0.00 O ATOM 299 CB ARG A 22 1.254 10.876 4.734 1.00 0.00 C ATOM 300 CG ARG A 22 1.239 11.666 3.424 1.00 0.00 C ATOM 301 CD ARG A 22 2.061 10.955 2.346 1.00 0.00 C ATOM 302 NE ARG A 22 1.258 10.810 1.112 1.00 0.00 N ATOM 303 CZ ARG A 22 1.155 11.755 0.167 1.00 0.00 C ATOM 304 NH1 ARG A 22 1.803 12.919 0.310 1.00 0.00 N ATOM 305 NH2 ARG A 22 0.403 11.536 -0.921 1.00 0.00 N ATOM 0 H ARG A 22 3.288 11.112 6.339 1.00 0.00 H new ATOM 0 HA ARG A 22 0.984 12.798 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.096 10.184 4.736 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.348 10.275 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.212 11.789 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.641 12.665 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.968 11.522 2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.374 9.974 2.703 1.00 0.00 H new ATOM 0 HE ARG A 22 0.751 9.936 0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.375 13.086 1.138 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.725 13.638 -0.409 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.091 10.650 -1.030 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.325 12.255 -1.640 1.00 0.00 H new ATOM 319 N GLU A 23 1.137 11.113 8.235 1.00 0.00 N ATOM 320 CA GLU A 23 0.451 10.596 9.407 1.00 0.00 C ATOM 321 C GLU A 23 -0.952 11.197 9.510 1.00 0.00 C ATOM 322 O GLU A 23 -1.102 12.404 9.692 1.00 0.00 O ATOM 323 CB GLU A 23 1.258 10.866 10.678 1.00 0.00 C ATOM 324 CG GLU A 23 0.456 10.494 11.927 1.00 0.00 C ATOM 325 CD GLU A 23 -0.020 11.745 12.666 1.00 0.00 C ATOM 326 OE1 GLU A 23 -0.340 12.731 11.967 1.00 0.00 O ATOM 327 OE2 GLU A 23 -0.053 11.689 13.915 1.00 0.00 O ATOM 0 H GLU A 23 2.120 11.344 8.383 1.00 0.00 H new ATOM 0 HA GLU A 23 0.355 9.516 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.185 10.293 10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.535 11.919 10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.403 9.886 11.644 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.071 9.887 12.591 1.00 0.00 H new ATOM 334 N GLY A 24 -1.944 10.328 9.389 1.00 0.00 N ATOM 335 CA GLY A 24 -3.330 10.758 9.466 1.00 0.00 C ATOM 336 C GLY A 24 -4.029 10.599 8.114 1.00 0.00 C ATOM 337 O GLY A 24 -5.231 10.837 8.001 1.00 0.00 O ATOM 0 H GLY A 24 -1.816 9.327 9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.855 10.173 10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.374 11.800 9.782 1.00 0.00 H new ATOM 341 N ASP A 25 -3.247 10.199 7.122 1.00 0.00 N ATOM 342 CA ASP A 25 -3.776 10.006 5.783 1.00 0.00 C ATOM 343 C ASP A 25 -4.050 8.518 5.557 1.00 0.00 C ATOM 344 O ASP A 25 -3.485 7.668 6.243 1.00 0.00 O ATOM 345 CB ASP A 25 -2.774 10.469 4.723 1.00 0.00 C ATOM 346 CG ASP A 25 -2.651 11.986 4.568 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.039 12.601 5.467 1.00 0.00 O ATOM 348 OD2 ASP A 25 -3.173 12.496 3.553 1.00 0.00 O ATOM 0 H ASP A 25 -2.251 10.003 7.219 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.691 10.591 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.793 10.064 4.970 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.062 10.043 3.762 1.00 0.00 H new ATOM 353 N ALA A 26 -4.916 8.248 4.592 1.00 0.00 N ATOM 354 CA ALA A 26 -5.272 6.878 4.267 1.00 0.00 C ATOM 355 C ALA A 26 -5.795 6.818 2.830 1.00 0.00 C ATOM 356 O ALA A 26 -6.576 7.672 2.414 1.00 0.00 O ATOM 357 CB ALA A 26 -6.294 6.361 5.281 1.00 0.00 C ATOM 0 H ALA A 26 -5.382 8.956 4.024 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.397 6.230 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.561 5.333 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.863 6.396 6.282 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.187 6.985 5.248 1.00 0.00 H new ATOM 363 N LEU A 27 -5.342 5.801 2.111 1.00 0.00 N ATOM 364 CA LEU A 27 -5.754 5.619 0.730 1.00 0.00 C ATOM 365 C LEU A 27 -6.417 4.248 0.577 1.00 0.00 C ATOM 366 O LEU A 27 -6.348 3.417 1.480 1.00 0.00 O ATOM 367 CB LEU A 27 -4.572 5.839 -0.216 1.00 0.00 C ATOM 368 CG LEU A 27 -3.823 7.164 -0.055 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.313 6.961 -0.200 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.356 8.216 -1.029 1.00 0.00 C ATOM 0 H LEU A 27 -4.694 5.095 2.459 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.497 6.367 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.862 5.024 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.935 5.772 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.002 7.538 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.804 7.918 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.964 6.267 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.094 6.553 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.807 9.148 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.226 7.863 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.415 8.387 -0.836 1.00 0.00 H new ATOM 382 N ASP A 28 -7.044 4.055 -0.575 1.00 0.00 N ATOM 383 CA ASP A 28 -7.718 2.800 -0.858 1.00 0.00 C ATOM 384 C ASP A 28 -7.601 2.488 -2.351 1.00 0.00 C ATOM 385 O ASP A 28 -7.692 3.388 -3.185 1.00 0.00 O ATOM 386 CB ASP A 28 -9.205 2.882 -0.507 1.00 0.00 C ATOM 387 CG ASP A 28 -9.958 1.551 -0.567 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.548 0.703 -1.389 1.00 0.00 O ATOM 389 OD2 ASP A 28 -10.927 1.412 0.210 1.00 0.00 O ATOM 0 H ASP A 28 -7.099 4.747 -1.322 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.248 2.022 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.304 3.293 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.685 3.585 -1.188 1.00 0.00 H new ATOM 394 N TYR A 29 -7.401 1.211 -2.643 1.00 0.00 N ATOM 395 CA TYR A 29 -7.270 0.770 -4.021 1.00 0.00 C ATOM 396 C TYR A 29 -7.957 -0.580 -4.232 1.00 0.00 C ATOM 397 O TYR A 29 -8.248 -1.290 -3.270 1.00 0.00 O ATOM 398 CB TYR A 29 -5.770 0.610 -4.272 1.00 0.00 C ATOM 399 CG TYR A 29 -4.979 1.916 -4.172 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.837 2.724 -5.281 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.408 2.286 -2.971 1.00 0.00 C ATOM 402 CE1 TYR A 29 -4.093 3.954 -5.187 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.664 3.516 -2.876 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.543 4.289 -3.989 1.00 0.00 C ATOM 405 OH TYR A 29 -2.841 5.450 -3.899 1.00 0.00 O ATOM 0 H TYR A 29 -7.327 0.468 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.733 1.487 -4.699 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.366 -0.103 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.622 0.182 -5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.284 2.434 -6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.519 1.653 -2.103 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.975 4.595 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.213 3.818 -1.942 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.159 5.965 -3.128 1.00 0.00 H new ATOM 415 N LYS A 30 -8.198 -0.895 -5.497 1.00 0.00 N ATOM 416 CA LYS A 30 -8.845 -2.148 -5.846 1.00 0.00 C ATOM 417 C LYS A 30 -7.802 -3.267 -5.868 1.00 0.00 C ATOM 418 O LYS A 30 -6.603 -3.002 -5.937 1.00 0.00 O ATOM 419 CB LYS A 30 -9.620 -2.003 -7.158 1.00 0.00 C ATOM 420 CG LYS A 30 -8.710 -2.251 -8.362 1.00 0.00 C ATOM 421 CD LYS A 30 -9.515 -2.273 -9.663 1.00 0.00 C ATOM 422 CE LYS A 30 -8.911 -1.323 -10.698 1.00 0.00 C ATOM 423 NZ LYS A 30 -9.851 -0.221 -11.002 1.00 0.00 N ATOM 0 H LYS A 30 -7.957 -0.304 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.586 -2.417 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.451 -2.709 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.050 -1.003 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.949 -1.472 -8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.187 -3.199 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.537 -3.286 -10.064 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.547 -1.987 -9.461 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.973 -0.915 -10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.677 -1.871 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.425 0.414 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.736 -0.614 -11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.054 0.312 -10.132 1.00 0.00 H new ATOM 437 N PRO A 31 -8.310 -4.527 -5.807 1.00 0.00 N ATOM 438 CA PRO A 31 -7.436 -5.688 -5.819 1.00 0.00 C ATOM 439 C PRO A 31 -6.882 -5.942 -7.223 1.00 0.00 C ATOM 440 O PRO A 31 -7.640 -6.018 -8.188 1.00 0.00 O ATOM 441 CB PRO A 31 -8.294 -6.832 -5.303 1.00 0.00 C ATOM 442 CG PRO A 31 -9.735 -6.376 -5.460 1.00 0.00 C ATOM 443 CD PRO A 31 -9.725 -4.879 -5.724 1.00 0.00 C ATOM 0 HA PRO A 31 -6.553 -5.557 -5.193 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.109 -7.745 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.065 -7.052 -4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.215 -6.905 -6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.307 -6.601 -4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.248 -4.636 -6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.223 -4.332 -4.923 1.00 0.00 H new ATOM 451 N GLY A 32 -5.565 -6.067 -7.291 1.00 0.00 N ATOM 452 CA GLY A 32 -4.901 -6.312 -8.560 1.00 0.00 C ATOM 453 C GLY A 32 -4.296 -5.023 -9.119 1.00 0.00 C ATOM 454 O GLY A 32 -3.843 -4.990 -10.262 1.00 0.00 O ATOM 0 H GLY A 32 -4.940 -6.003 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.117 -7.058 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.614 -6.723 -9.274 1.00 0.00 H new ATOM 458 N SER A 33 -4.308 -3.991 -8.287 1.00 0.00 N ATOM 459 CA SER A 33 -3.766 -2.703 -8.684 1.00 0.00 C ATOM 460 C SER A 33 -2.441 -2.449 -7.964 1.00 0.00 C ATOM 461 O SER A 33 -2.425 -2.156 -6.770 1.00 0.00 O ATOM 462 CB SER A 33 -4.756 -1.574 -8.389 1.00 0.00 C ATOM 463 OG SER A 33 -5.471 -1.172 -9.554 1.00 0.00 O ATOM 0 H SER A 33 -4.685 -4.021 -7.340 1.00 0.00 H new ATOM 0 HA SER A 33 -3.590 -2.723 -9.759 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.462 -1.901 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.219 -0.718 -7.980 1.00 0.00 H new ATOM 0 HG SER A 33 -6.093 -0.451 -9.323 1.00 0.00 H new ATOM 469 N THR A 34 -1.360 -2.569 -8.722 1.00 0.00 N ATOM 470 CA THR A 34 -0.032 -2.356 -8.171 1.00 0.00 C ATOM 471 C THR A 34 0.104 -0.924 -7.648 1.00 0.00 C ATOM 472 O THR A 34 -0.055 0.034 -8.403 1.00 0.00 O ATOM 473 CB THR A 34 0.991 -2.708 -9.252 1.00 0.00 C ATOM 474 OG1 THR A 34 0.826 -4.111 -9.442 1.00 0.00 O ATOM 475 CG2 THR A 34 2.433 -2.566 -8.762 1.00 0.00 C ATOM 0 H THR A 34 -1.377 -2.811 -9.713 1.00 0.00 H new ATOM 0 HA THR A 34 0.148 -3.002 -7.311 1.00 0.00 H new ATOM 0 HB THR A 34 0.838 -2.066 -10.120 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.451 -4.424 -10.129 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.119 -2.828 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.613 -1.536 -8.453 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.597 -3.233 -7.915 1.00 0.00 H new ATOM 483 N ILE A 35 0.398 -0.824 -6.360 1.00 0.00 N ATOM 484 CA ILE A 35 0.559 0.475 -5.728 1.00 0.00 C ATOM 485 C ILE A 35 2.043 0.722 -5.450 1.00 0.00 C ATOM 486 O ILE A 35 2.564 0.295 -4.421 1.00 0.00 O ATOM 487 CB ILE A 35 -0.326 0.578 -4.485 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.804 0.414 -4.847 1.00 0.00 C ATOM 489 CG2 ILE A 35 -0.062 1.883 -3.731 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.435 -0.740 -4.066 1.00 0.00 C ATOM 0 H ILE A 35 0.529 -1.621 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 35 0.224 1.269 -6.396 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.067 -0.241 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.339 1.339 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.902 0.230 -5.917 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.704 1.931 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.982 1.919 -3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.276 2.730 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.485 -0.835 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.913 -1.667 -4.302 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.357 -0.541 -2.997 1.00 0.00 H new ATOM 502 N ARG A 36 2.681 1.410 -6.385 1.00 0.00 N ATOM 503 CA ARG A 36 4.094 1.719 -6.253 1.00 0.00 C ATOM 504 C ARG A 36 4.298 2.852 -5.244 1.00 0.00 C ATOM 505 O ARG A 36 3.911 3.991 -5.498 1.00 0.00 O ATOM 506 CB ARG A 36 4.697 2.130 -7.598 1.00 0.00 C ATOM 507 CG ARG A 36 4.826 0.924 -8.531 1.00 0.00 C ATOM 508 CD ARG A 36 5.102 1.371 -9.969 1.00 0.00 C ATOM 509 NE ARG A 36 6.558 1.363 -10.231 1.00 0.00 N ATOM 510 CZ ARG A 36 7.104 1.503 -11.447 1.00 0.00 C ATOM 511 NH1 ARG A 36 6.317 1.663 -12.520 1.00 0.00 N ATOM 512 NH2 ARG A 36 8.436 1.484 -11.590 1.00 0.00 N ATOM 0 H ARG A 36 2.245 1.762 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 36 4.598 0.819 -5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.071 2.890 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.678 2.578 -7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.633 0.277 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.909 0.335 -8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.595 0.707 -10.669 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.701 2.371 -10.131 1.00 0.00 H new ATOM 0 HE ARG A 36 7.186 1.243 -9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.303 1.678 -12.411 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.732 1.770 -13.446 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.035 1.363 -10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.851 1.591 -12.516 1.00 0.00 H new ATOM 526 N VAL A 37 4.906 2.498 -4.121 1.00 0.00 N ATOM 527 CA VAL A 37 5.166 3.470 -3.073 1.00 0.00 C ATOM 528 C VAL A 37 6.611 3.959 -3.183 1.00 0.00 C ATOM 529 O VAL A 37 7.547 3.164 -3.106 1.00 0.00 O ATOM 530 CB VAL A 37 4.842 2.865 -1.705 1.00 0.00 C ATOM 531 CG1 VAL A 37 5.007 3.903 -0.593 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.435 2.264 -1.691 1.00 0.00 C ATOM 0 H VAL A 37 5.226 1.552 -3.914 1.00 0.00 H new ATOM 0 HA VAL A 37 4.519 4.339 -3.190 1.00 0.00 H new ATOM 0 HB VAL A 37 5.552 2.059 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.771 3.447 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.036 4.263 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.332 4.740 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.230 1.841 -0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.705 3.043 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.367 1.480 -2.445 1.00 0.00 H new ATOM 542 N GLY A 38 6.749 5.265 -3.362 1.00 0.00 N ATOM 543 CA GLY A 38 8.065 5.868 -3.484 1.00 0.00 C ATOM 544 C GLY A 38 8.109 7.233 -2.793 1.00 0.00 C ATOM 545 O GLY A 38 7.331 7.493 -1.876 1.00 0.00 O ATOM 0 H GLY A 38 5.971 5.922 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.813 5.209 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.321 5.981 -4.537 1.00 0.00 H new ATOM 549 N ARG A 39 9.026 8.068 -3.259 1.00 0.00 N ATOM 550 CA ARG A 39 9.181 9.399 -2.697 1.00 0.00 C ATOM 551 C ARG A 39 8.666 10.453 -3.679 1.00 0.00 C ATOM 552 O ARG A 39 8.159 11.495 -3.267 1.00 0.00 O ATOM 553 CB ARG A 39 10.646 9.690 -2.367 1.00 0.00 C ATOM 554 CG ARG A 39 10.851 11.171 -2.042 1.00 0.00 C ATOM 555 CD ARG A 39 12.230 11.411 -1.425 1.00 0.00 C ATOM 556 NE ARG A 39 12.949 12.457 -2.185 1.00 0.00 N ATOM 557 CZ ARG A 39 14.252 12.735 -2.034 1.00 0.00 C ATOM 558 NH1 ARG A 39 14.985 12.045 -1.149 1.00 0.00 N ATOM 559 NH2 ARG A 39 14.820 13.701 -2.767 1.00 0.00 N ATOM 0 H ARG A 39 9.669 7.849 -4.020 1.00 0.00 H new ATOM 0 HA ARG A 39 8.599 9.441 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.959 9.081 -1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.275 9.409 -3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.747 11.764 -2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.077 11.506 -1.352 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.124 11.715 -0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.806 10.486 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 39 12.420 13.001 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.552 11.309 -0.591 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.976 12.256 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.261 14.225 -3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.811 13.912 -2.652 1.00 0.00 H new ATOM 573 N ILE A 40 8.816 10.146 -4.959 1.00 0.00 N ATOM 574 CA ILE A 40 8.373 11.054 -6.004 1.00 0.00 C ATOM 575 C ILE A 40 6.993 10.617 -6.502 1.00 0.00 C ATOM 576 O ILE A 40 6.729 9.424 -6.642 1.00 0.00 O ATOM 577 CB ILE A 40 9.424 11.150 -7.111 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.736 9.770 -7.693 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.684 11.860 -6.611 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.618 9.887 -8.938 1.00 0.00 C ATOM 0 H ILE A 40 9.238 9.281 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 40 8.265 12.065 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 40 9.013 11.754 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.239 9.160 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.807 9.260 -7.948 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.415 11.915 -7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.428 12.868 -6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.107 11.304 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.825 8.892 -9.332 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.102 10.477 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.556 10.375 -8.675 1.00 0.00 H new ATOM 653 N GLU A 45 3.014 5.399 -7.380 1.00 0.00 N ATOM 654 CA GLU A 45 1.671 5.863 -7.076 1.00 0.00 C ATOM 655 C GLU A 45 1.687 6.756 -5.834 1.00 0.00 C ATOM 656 O GLU A 45 1.364 7.941 -5.913 1.00 0.00 O ATOM 657 CB GLU A 45 0.712 4.685 -6.892 1.00 0.00 C ATOM 658 CG GLU A 45 0.489 3.948 -8.215 1.00 0.00 C ATOM 659 CD GLU A 45 0.155 4.930 -9.340 1.00 0.00 C ATOM 660 OE1 GLU A 45 -0.991 5.428 -9.336 1.00 0.00 O ATOM 661 OE2 GLU A 45 1.053 5.160 -10.178 1.00 0.00 O ATOM 0 HA GLU A 45 1.312 6.453 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.116 3.995 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.242 5.045 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.383 3.382 -8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.322 3.229 -8.103 1.00 0.00 H new ATOM 668 N ILE A 46 2.065 6.154 -4.716 1.00 0.00 N ATOM 669 CA ILE A 46 2.127 6.881 -3.459 1.00 0.00 C ATOM 670 C ILE A 46 3.535 7.448 -3.271 1.00 0.00 C ATOM 671 O ILE A 46 4.523 6.734 -3.438 1.00 0.00 O ATOM 672 CB ILE A 46 1.663 5.992 -2.303 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.219 5.529 -2.513 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.848 6.699 -0.959 1.00 0.00 C ATOM 675 CD1 ILE A 46 -0.181 4.490 -1.464 1.00 0.00 C ATOM 0 H ILE A 46 2.331 5.171 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 46 1.442 7.728 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 46 2.289 5.100 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.453 6.385 -2.457 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.111 5.104 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.511 6.045 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.902 6.937 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.264 7.619 -0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.211 4.178 -1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.478 3.625 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.095 4.926 -0.469 1.00 0.00 H new ATOM 687 N ALA A 47 3.583 8.726 -2.926 1.00 0.00 N ATOM 688 CA ALA A 47 4.854 9.397 -2.714 1.00 0.00 C ATOM 689 C ALA A 47 4.856 10.051 -1.330 1.00 0.00 C ATOM 690 O ALA A 47 3.902 10.734 -0.961 1.00 0.00 O ATOM 691 CB ALA A 47 5.091 10.409 -3.837 1.00 0.00 C ATOM 0 H ALA A 47 2.762 9.315 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 47 5.675 8.681 -2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.045 10.912 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.110 9.891 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.288 11.146 -3.838 1.00 0.00 H new ATOM 697 N ILE A 48 5.939 9.818 -0.603 1.00 0.00 N ATOM 698 CA ILE A 48 6.077 10.376 0.732 1.00 0.00 C ATOM 699 C ILE A 48 7.237 11.374 0.745 1.00 0.00 C ATOM 700 O ILE A 48 8.292 11.112 0.171 1.00 0.00 O ATOM 701 CB ILE A 48 6.216 9.258 1.768 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.903 8.490 1.925 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.723 9.808 3.103 1.00 0.00 C ATOM 704 CD1 ILE A 48 5.162 6.995 2.124 1.00 0.00 C ATOM 0 H ILE A 48 6.728 9.251 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 48 5.178 10.927 1.010 1.00 0.00 H new ATOM 0 HB ILE A 48 6.962 8.549 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.347 8.883 2.777 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.282 8.641 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.813 8.993 3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.698 10.273 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.020 10.550 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.212 6.472 2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.696 6.600 1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.763 6.846 3.021 1.00 0.00 H new ATOM 716 N LYS A 49 7.001 12.497 1.406 1.00 0.00 N ATOM 717 CA LYS A 49 8.012 13.536 1.502 1.00 0.00 C ATOM 718 C LYS A 49 8.728 13.423 2.849 1.00 0.00 C ATOM 719 O LYS A 49 8.814 14.399 3.594 1.00 0.00 O ATOM 720 CB LYS A 49 7.393 14.912 1.247 1.00 0.00 C ATOM 721 CG LYS A 49 7.169 15.145 -0.248 1.00 0.00 C ATOM 722 CD LYS A 49 8.475 15.529 -0.945 1.00 0.00 C ATOM 723 CE LYS A 49 9.004 14.371 -1.795 1.00 0.00 C ATOM 724 NZ LYS A 49 9.163 14.794 -3.205 1.00 0.00 N ATOM 0 H LYS A 49 6.124 12.711 1.881 1.00 0.00 H new ATOM 0 HA LYS A 49 8.768 13.404 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.444 14.991 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.047 15.688 1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.762 14.242 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.431 15.935 -0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.311 16.403 -1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.220 15.808 -0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.962 14.031 -1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.317 13.526 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.523 13.997 -3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.243 15.097 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.836 15.585 -3.256 1.00 0.00 H new ATOM 738 N ASP A 50 9.222 12.225 3.122 1.00 0.00 N ATOM 739 CA ASP A 50 9.927 11.972 4.367 1.00 0.00 C ATOM 740 C ASP A 50 11.431 11.915 4.094 1.00 0.00 C ATOM 741 O ASP A 50 12.238 12.035 5.015 1.00 0.00 O ATOM 742 CB ASP A 50 9.506 10.633 4.976 1.00 0.00 C ATOM 743 CG ASP A 50 10.282 10.219 6.228 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.563 11.122 7.046 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.577 9.010 6.340 1.00 0.00 O ATOM 0 H ASP A 50 9.148 11.418 2.502 1.00 0.00 H new ATOM 0 HA ASP A 50 9.684 12.776 5.061 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.446 10.681 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.622 9.855 4.221 1.00 0.00 H new ATOM 750 N ALA A 51 11.763 11.733 2.824 1.00 0.00 N ATOM 751 CA ALA A 51 13.156 11.659 2.418 1.00 0.00 C ATOM 752 C ALA A 51 13.670 10.233 2.629 1.00 0.00 C ATOM 753 O ALA A 51 14.237 9.632 1.718 1.00 0.00 O ATOM 754 CB ALA A 51 13.971 12.693 3.197 1.00 0.00 C ATOM 0 H ALA A 51 11.091 11.635 2.063 1.00 0.00 H new ATOM 0 HA ALA A 51 13.259 11.893 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.016 12.637 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.585 13.691 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.893 12.488 4.265 1.00 0.00 H new ATOM 760 N GLY A 52 13.453 9.733 3.837 1.00 0.00 N ATOM 761 CA GLY A 52 13.887 8.389 4.180 1.00 0.00 C ATOM 762 C GLY A 52 13.536 7.399 3.067 1.00 0.00 C ATOM 763 O GLY A 52 14.179 6.360 2.930 1.00 0.00 O ATOM 0 H GLY A 52 12.982 10.234 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.964 8.383 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.415 8.077 5.112 1.00 0.00 H new ATOM 767 N ILE A 53 12.516 7.758 2.300 1.00 0.00 N ATOM 768 CA ILE A 53 12.072 6.914 1.203 1.00 0.00 C ATOM 769 C ILE A 53 12.692 7.415 -0.103 1.00 0.00 C ATOM 770 O ILE A 53 12.870 8.618 -0.288 1.00 0.00 O ATOM 771 CB ILE A 53 10.545 6.838 1.170 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.992 6.319 2.499 1.00 0.00 C ATOM 773 CG2 ILE A 53 10.063 6.002 -0.017 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.740 7.094 2.913 1.00 0.00 C ATOM 0 H ILE A 53 11.985 8.621 2.417 1.00 0.00 H new ATOM 0 HA ILE A 53 12.416 5.890 1.347 1.00 0.00 H new ATOM 0 HB ILE A 53 10.156 7.847 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.754 5.259 2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.753 6.410 3.274 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.974 5.964 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.410 6.455 -0.946 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.461 4.991 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.368 6.705 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.986 8.150 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.972 6.981 2.148 1.00 0.00 H new ATOM 786 N SER A 54 13.002 6.467 -0.975 1.00 0.00 N ATOM 787 CA SER A 54 13.598 6.797 -2.259 1.00 0.00 C ATOM 788 C SER A 54 12.537 6.733 -3.360 1.00 0.00 C ATOM 789 O SER A 54 11.523 6.053 -3.210 1.00 0.00 O ATOM 790 CB SER A 54 14.759 5.857 -2.585 1.00 0.00 C ATOM 791 OG SER A 54 16.009 6.542 -2.613 1.00 0.00 O ATOM 0 H SER A 54 12.852 5.470 -0.818 1.00 0.00 H new ATOM 0 HA SER A 54 13.993 7.811 -2.202 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.799 5.060 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.583 5.385 -3.551 1.00 0.00 H new ATOM 0 HG SER A 54 16.725 5.907 -2.823 1.00 0.00 H new ATOM 797 N THR A 55 12.808 7.449 -4.441 1.00 0.00 N ATOM 798 CA THR A 55 11.890 7.482 -5.566 1.00 0.00 C ATOM 799 C THR A 55 11.299 6.092 -5.813 1.00 0.00 C ATOM 800 O THR A 55 10.080 5.932 -5.862 1.00 0.00 O ATOM 801 CB THR A 55 12.642 8.045 -6.774 1.00 0.00 C ATOM 802 OG1 THR A 55 12.394 9.447 -6.714 1.00 0.00 O ATOM 803 CG2 THR A 55 12.021 7.613 -8.104 1.00 0.00 C ATOM 0 H THR A 55 13.651 8.011 -4.562 1.00 0.00 H new ATOM 0 HA THR A 55 11.039 8.132 -5.363 1.00 0.00 H new ATOM 0 HB THR A 55 13.682 7.721 -6.737 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.074 9.922 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 55 12.593 8.040 -8.928 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.036 6.526 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.991 7.966 -8.156 1.00 0.00 H new ATOM 811 N LYS A 56 12.190 5.123 -5.962 1.00 0.00 N ATOM 812 CA LYS A 56 11.772 3.752 -6.202 1.00 0.00 C ATOM 813 C LYS A 56 12.196 2.880 -5.019 1.00 0.00 C ATOM 814 O LYS A 56 13.094 2.048 -5.147 1.00 0.00 O ATOM 815 CB LYS A 56 12.300 3.260 -7.551 1.00 0.00 C ATOM 816 CG LYS A 56 13.830 3.248 -7.570 1.00 0.00 C ATOM 817 CD LYS A 56 14.366 3.824 -8.881 1.00 0.00 C ATOM 818 CE LYS A 56 14.492 5.347 -8.801 1.00 0.00 C ATOM 819 NZ LYS A 56 15.864 5.773 -9.157 1.00 0.00 N ATOM 0 H LYS A 56 13.200 5.260 -5.921 1.00 0.00 H new ATOM 0 HA LYS A 56 10.686 3.690 -6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.922 2.257 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.928 3.904 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.212 3.828 -6.730 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.191 2.227 -7.443 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.339 3.386 -9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.700 3.553 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.774 5.813 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.250 5.685 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.932 6.809 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.543 5.343 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 16.082 5.467 -10.127 1.00 0.00 H new ATOM 833 N HIS A 57 11.531 3.099 -3.895 1.00 0.00 N ATOM 834 CA HIS A 57 11.828 2.342 -2.690 1.00 0.00 C ATOM 835 C HIS A 57 11.293 0.916 -2.834 1.00 0.00 C ATOM 836 O HIS A 57 12.065 -0.042 -2.849 1.00 0.00 O ATOM 837 CB HIS A 57 11.284 3.057 -1.452 1.00 0.00 C ATOM 838 CG HIS A 57 11.674 2.406 -0.146 1.00 0.00 C ATOM 839 ND1 HIS A 57 12.248 3.108 0.900 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.565 1.113 0.273 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.471 2.265 1.897 1.00 0.00 C ATOM 842 NE2 HIS A 57 12.048 1.029 1.506 1.00 0.00 N ATOM 0 H HIS A 57 10.787 3.790 -3.793 1.00 0.00 H new ATOM 0 HA HIS A 57 12.908 2.275 -2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.641 4.087 -1.454 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.197 3.096 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.155 0.296 -0.302 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.911 2.513 2.852 1.00 0.00 H new ATOM 0 HE2 HIS A 57 12.095 0.180 2.069 1.00 0.00 H new ATOM 850 N LEU A 58 9.976 0.820 -2.937 1.00 0.00 N ATOM 851 CA LEU A 58 9.328 -0.473 -3.079 1.00 0.00 C ATOM 852 C LEU A 58 8.009 -0.297 -3.834 1.00 0.00 C ATOM 853 O LEU A 58 7.576 0.827 -4.082 1.00 0.00 O ATOM 854 CB LEU A 58 9.171 -1.147 -1.715 1.00 0.00 C ATOM 855 CG LEU A 58 8.466 -0.321 -0.636 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.251 0.409 -1.211 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.096 -1.193 0.566 1.00 0.00 C ATOM 0 H LEU A 58 9.339 1.617 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 58 9.947 -1.147 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.618 -2.076 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.162 -1.417 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 58 9.160 0.441 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.768 0.988 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.573 1.078 -2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.545 -0.319 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.596 -0.583 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.427 -1.991 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.000 -1.627 0.993 1.00 0.00 H new ATOM 869 N ARG A 59 7.406 -1.426 -4.178 1.00 0.00 N ATOM 870 CA ARG A 59 6.145 -1.411 -4.899 1.00 0.00 C ATOM 871 C ARG A 59 5.176 -2.430 -4.295 1.00 0.00 C ATOM 872 O ARG A 59 5.588 -3.508 -3.871 1.00 0.00 O ATOM 873 CB ARG A 59 6.354 -1.733 -6.380 1.00 0.00 C ATOM 874 CG ARG A 59 6.508 -3.239 -6.598 1.00 0.00 C ATOM 875 CD ARG A 59 7.337 -3.530 -7.850 1.00 0.00 C ATOM 876 NE ARG A 59 8.017 -4.838 -7.715 1.00 0.00 N ATOM 877 CZ ARG A 59 8.940 -5.297 -8.571 1.00 0.00 C ATOM 878 NH1 ARG A 59 9.299 -4.558 -9.629 1.00 0.00 N ATOM 879 NH2 ARG A 59 9.503 -6.496 -8.368 1.00 0.00 N ATOM 0 H ARG A 59 7.768 -2.357 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 59 5.725 -0.409 -4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.508 -1.363 -6.959 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.241 -1.216 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.987 -3.689 -5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.524 -3.699 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.693 -3.535 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.074 -2.741 -7.999 1.00 0.00 H new ATOM 0 HE ARG A 59 7.767 -5.427 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.870 -3.646 -9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.002 -4.908 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.229 -7.058 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.206 -6.846 -9.019 1.00 0.00 H new ATOM 893 N ILE A 60 3.906 -2.051 -4.275 1.00 0.00 N ATOM 894 CA ILE A 60 2.876 -2.918 -3.730 1.00 0.00 C ATOM 895 C ILE A 60 2.074 -3.534 -4.878 1.00 0.00 C ATOM 896 O ILE A 60 1.754 -2.854 -5.852 1.00 0.00 O ATOM 897 CB ILE A 60 2.016 -2.158 -2.719 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.855 -1.692 -1.526 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.813 -2.996 -2.281 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.022 -0.835 -0.571 1.00 0.00 C ATOM 0 H ILE A 60 3.568 -1.156 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 60 3.326 -3.742 -3.176 1.00 0.00 H new ATOM 0 HB ILE A 60 1.625 -1.265 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.249 -2.558 -0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.712 -1.119 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.219 -2.432 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.200 -3.235 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.162 -3.919 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.642 -0.517 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.650 0.042 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.180 -1.419 -0.199 1.00 0.00 H new ATOM 912 N GLU A 61 1.772 -4.815 -4.726 1.00 0.00 N ATOM 913 CA GLU A 61 1.014 -5.531 -5.738 1.00 0.00 C ATOM 914 C GLU A 61 0.205 -6.660 -5.096 1.00 0.00 C ATOM 915 O GLU A 61 0.454 -7.032 -3.950 1.00 0.00 O ATOM 916 CB GLU A 61 1.935 -6.071 -6.834 1.00 0.00 C ATOM 917 CG GLU A 61 2.933 -7.081 -6.263 1.00 0.00 C ATOM 918 CD GLU A 61 2.446 -8.515 -6.480 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.209 -8.695 -6.515 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.321 -9.398 -6.606 1.00 0.00 O ATOM 0 H GLU A 61 2.039 -5.376 -3.917 1.00 0.00 H new ATOM 0 HA GLU A 61 0.319 -4.833 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.339 -6.544 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.474 -5.246 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.904 -6.947 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.072 -6.898 -5.198 1.00 0.00 H new ATOM 927 N SER A 62 -0.746 -7.174 -5.863 1.00 0.00 N ATOM 928 CA SER A 62 -1.592 -8.253 -5.383 1.00 0.00 C ATOM 929 C SER A 62 -1.564 -9.419 -6.373 1.00 0.00 C ATOM 930 O SER A 62 -1.545 -9.209 -7.585 1.00 0.00 O ATOM 931 CB SER A 62 -3.029 -7.772 -5.169 1.00 0.00 C ATOM 932 OG SER A 62 -3.975 -8.822 -5.349 1.00 0.00 O ATOM 0 H SER A 62 -0.949 -6.863 -6.813 1.00 0.00 H new ATOM 0 HA SER A 62 -1.204 -8.591 -4.422 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.128 -7.363 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.248 -6.963 -5.866 1.00 0.00 H new ATOM 0 HG SER A 62 -3.873 -9.481 -4.631 1.00 0.00 H new ATOM 938 N ASP A 63 -1.563 -10.623 -5.819 1.00 0.00 N ATOM 939 CA ASP A 63 -1.538 -11.823 -6.638 1.00 0.00 C ATOM 940 C ASP A 63 -2.358 -12.919 -5.955 1.00 0.00 C ATOM 941 O ASP A 63 -2.625 -12.843 -4.756 1.00 0.00 O ATOM 942 CB ASP A 63 -0.109 -12.341 -6.813 1.00 0.00 C ATOM 943 CG ASP A 63 0.672 -11.707 -7.966 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.134 -11.727 -9.094 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.789 -11.217 -7.693 1.00 0.00 O ATOM 0 H ASP A 63 -1.579 -10.793 -4.813 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.953 -11.573 -7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.439 -12.171 -5.886 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.146 -13.419 -6.969 1.00 0.00 H new ATOM 950 N SER A 64 -2.735 -13.913 -6.746 1.00 0.00 N ATOM 951 CA SER A 64 -3.519 -15.023 -6.232 1.00 0.00 C ATOM 952 C SER A 64 -4.571 -14.509 -5.248 1.00 0.00 C ATOM 953 O SER A 64 -4.660 -14.992 -4.120 1.00 0.00 O ATOM 954 CB SER A 64 -2.623 -16.063 -5.557 1.00 0.00 C ATOM 955 OG SER A 64 -2.867 -17.378 -6.050 1.00 0.00 O ATOM 0 H SER A 64 -2.512 -13.973 -7.740 1.00 0.00 H new ATOM 0 HA SER A 64 -4.021 -15.505 -7.071 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.577 -15.802 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.791 -16.042 -4.480 1.00 0.00 H new ATOM 0 HG SER A 64 -2.274 -18.013 -5.596 1.00 0.00 H new ATOM 961 N GLY A 65 -5.342 -13.536 -5.710 1.00 0.00 N ATOM 962 CA GLY A 65 -6.385 -12.951 -4.884 1.00 0.00 C ATOM 963 C GLY A 65 -5.854 -12.611 -3.490 1.00 0.00 C ATOM 964 O GLY A 65 -6.508 -12.893 -2.487 1.00 0.00 O ATOM 0 H GLY A 65 -5.266 -13.138 -6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.769 -12.049 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.220 -13.647 -4.799 1.00 0.00 H new ATOM 968 N ASN A 66 -4.673 -12.010 -3.471 1.00 0.00 N ATOM 969 CA ASN A 66 -4.047 -11.629 -2.217 1.00 0.00 C ATOM 970 C ASN A 66 -3.119 -10.437 -2.457 1.00 0.00 C ATOM 971 O ASN A 66 -2.838 -10.085 -3.601 1.00 0.00 O ATOM 972 CB ASN A 66 -3.208 -12.775 -1.650 1.00 0.00 C ATOM 973 CG ASN A 66 -4.080 -13.759 -0.867 1.00 0.00 C ATOM 974 OD1 ASN A 66 -5.007 -13.386 -0.168 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.732 -15.033 -1.024 1.00 0.00 N ATOM 0 H ASN A 66 -4.133 -11.778 -4.305 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.836 -11.376 -1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.704 -13.298 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.431 -12.374 -0.999 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.253 -15.767 -0.544 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.944 -15.276 -1.625 1.00 0.00 H new ATOM 982 N TRP A 67 -2.669 -9.848 -1.358 1.00 0.00 N ATOM 983 CA TRP A 67 -1.778 -8.702 -1.435 1.00 0.00 C ATOM 984 C TRP A 67 -0.389 -9.152 -0.977 1.00 0.00 C ATOM 985 O TRP A 67 -0.267 -9.984 -0.079 1.00 0.00 O ATOM 986 CB TRP A 67 -2.325 -7.527 -0.622 1.00 0.00 C ATOM 987 CG TRP A 67 -3.590 -6.899 -1.209 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.866 -7.167 -0.898 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.650 -5.879 -2.229 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.739 -6.398 -1.639 1.00 0.00 N ATOM 991 CE2 TRP A 67 -4.976 -5.590 -2.474 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.616 -5.222 -2.920 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.393 -4.638 -3.413 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.049 -4.275 -3.855 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.381 -3.972 -4.114 1.00 0.00 C ATOM 0 H TRP A 67 -2.905 -10.143 -0.410 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.705 -8.337 -2.460 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.538 -7.868 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.553 -6.761 -0.546 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.172 -7.894 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.757 -6.418 -1.584 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.571 -5.432 -2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.438 -4.429 -3.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.295 -3.742 -4.415 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.634 -3.226 -4.853 1.00 0.00 H new ATOM 1006 N VAL A 68 0.622 -8.581 -1.614 1.00 0.00 N ATOM 1007 CA VAL A 68 1.998 -8.913 -1.283 1.00 0.00 C ATOM 1008 C VAL A 68 2.856 -7.649 -1.363 1.00 0.00 C ATOM 1009 O VAL A 68 2.544 -6.729 -2.117 1.00 0.00 O ATOM 1010 CB VAL A 68 2.499 -10.035 -2.194 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.387 -11.045 -2.483 1.00 0.00 C ATOM 1012 CG2 VAL A 68 3.077 -9.469 -3.493 1.00 0.00 C ATOM 0 H VAL A 68 0.517 -7.891 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 68 2.066 -9.288 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 68 3.299 -10.559 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.770 -11.832 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.041 -11.484 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.556 -10.540 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.426 -10.287 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.305 -8.909 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.912 -8.807 -3.262 1.00 0.00 H new ATOM 1022 N ILE A 69 3.921 -7.644 -0.575 1.00 0.00 N ATOM 1023 CA ILE A 69 4.827 -6.508 -0.547 1.00 0.00 C ATOM 1024 C ILE A 69 6.239 -6.979 -0.902 1.00 0.00 C ATOM 1025 O ILE A 69 6.643 -8.078 -0.526 1.00 0.00 O ATOM 1026 CB ILE A 69 4.739 -5.786 0.799 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.567 -4.500 0.786 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.140 -6.714 1.947 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.822 -3.360 1.484 1.00 0.00 C ATOM 0 H ILE A 69 4.177 -8.409 0.049 1.00 0.00 H new ATOM 0 HA ILE A 69 4.539 -5.771 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 69 3.701 -5.499 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.522 -4.673 1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.790 -4.217 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.069 -6.176 2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.472 -7.575 1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.165 -7.053 1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.433 -2.458 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.879 -3.173 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.622 -3.636 2.519 1.00 0.00 H new ATOM 1041 N GLN A 70 6.950 -6.123 -1.621 1.00 0.00 N ATOM 1042 CA GLN A 70 8.308 -6.437 -2.030 1.00 0.00 C ATOM 1043 C GLN A 70 9.184 -5.184 -1.969 1.00 0.00 C ATOM 1044 O GLN A 70 8.838 -4.152 -2.543 1.00 0.00 O ATOM 1045 CB GLN A 70 8.330 -7.054 -3.430 1.00 0.00 C ATOM 1046 CG GLN A 70 9.761 -7.377 -3.864 1.00 0.00 C ATOM 1047 CD GLN A 70 9.814 -8.696 -4.638 1.00 0.00 C ATOM 1048 OE1 GLN A 70 10.028 -8.733 -5.839 1.00 0.00 O ATOM 1049 NE2 GLN A 70 9.609 -9.773 -3.886 1.00 0.00 N ATOM 0 H GLN A 70 6.611 -5.212 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 70 8.714 -7.174 -1.337 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.729 -7.963 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.877 -6.365 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.147 -6.570 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.406 -7.439 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.435 -9.671 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.625 -10.701 -4.309 1.00 0.00 H new ATOM 1058 N ASP A 71 10.301 -5.315 -1.269 1.00 0.00 N ATOM 1059 CA ASP A 71 11.229 -4.206 -1.126 1.00 0.00 C ATOM 1060 C ASP A 71 12.169 -4.174 -2.333 1.00 0.00 C ATOM 1061 O ASP A 71 12.981 -5.079 -2.517 1.00 0.00 O ATOM 1062 CB ASP A 71 12.084 -4.362 0.133 1.00 0.00 C ATOM 1063 CG ASP A 71 13.404 -3.590 0.119 1.00 0.00 C ATOM 1064 OD1 ASP A 71 13.380 -2.415 0.546 1.00 0.00 O ATOM 1065 OD2 ASP A 71 14.409 -4.191 -0.319 1.00 0.00 O ATOM 0 H ASP A 71 10.585 -6.172 -0.795 1.00 0.00 H new ATOM 0 HA ASP A 71 10.647 -3.287 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.499 -4.036 0.993 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.301 -5.420 0.277 1.00 0.00 H new ATOM 1070 N LEU A 72 12.026 -3.121 -3.126 1.00 0.00 N ATOM 1071 CA LEU A 72 12.851 -2.959 -4.310 1.00 0.00 C ATOM 1072 C LEU A 72 14.259 -2.532 -3.891 1.00 0.00 C ATOM 1073 O LEU A 72 14.751 -1.491 -4.324 1.00 0.00 O ATOM 1074 CB LEU A 72 12.186 -1.999 -5.299 1.00 0.00 C ATOM 1075 CG LEU A 72 10.881 -2.486 -5.932 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.183 -3.507 -5.032 1.00 0.00 C ATOM 1077 CD2 LEU A 72 9.968 -1.308 -6.279 1.00 0.00 C ATOM 0 H LEU A 72 11.351 -2.372 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 72 12.949 -3.907 -4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.988 -1.058 -4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.895 -1.783 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 72 11.122 -2.993 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.258 -3.837 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.838 -4.365 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.955 -3.048 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.047 -1.681 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.731 -0.752 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.475 -0.650 -6.985 1.00 0.00 H new ATOM 1089 N GLY A 73 14.869 -3.358 -3.053 1.00 0.00 N ATOM 1090 CA GLY A 73 16.211 -3.079 -2.571 1.00 0.00 C ATOM 1091 C GLY A 73 16.422 -1.576 -2.377 1.00 0.00 C ATOM 1092 O GLY A 73 17.226 -0.963 -3.079 1.00 0.00 O ATOM 0 H GLY A 73 14.458 -4.221 -2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.378 -3.598 -1.627 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.944 -3.464 -3.280 1.00 0.00 H new ATOM 1096 N SER A 74 15.687 -1.025 -1.422 1.00 0.00 N ATOM 1097 CA SER A 74 15.784 0.394 -1.128 1.00 0.00 C ATOM 1098 C SER A 74 16.719 0.619 0.063 1.00 0.00 C ATOM 1099 O SER A 74 17.046 -0.321 0.786 1.00 0.00 O ATOM 1100 CB SER A 74 14.406 0.992 -0.840 1.00 0.00 C ATOM 1101 OG SER A 74 14.446 2.415 -0.764 1.00 0.00 O ATOM 0 H SER A 74 15.022 -1.536 -0.842 1.00 0.00 H new ATOM 0 HA SER A 74 16.193 0.897 -2.004 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.709 0.690 -1.622 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.025 0.589 0.099 1.00 0.00 H new ATOM 0 HG SER A 74 14.042 2.709 0.079 1.00 0.00 H new ATOM 1139 N THR A 78 12.872 -1.921 4.608 1.00 0.00 N ATOM 1140 CA THR A 78 11.454 -1.903 4.926 1.00 0.00 C ATOM 1141 C THR A 78 11.167 -2.797 6.134 1.00 0.00 C ATOM 1142 O THR A 78 11.743 -3.876 6.263 1.00 0.00 O ATOM 1143 CB THR A 78 10.683 -2.313 3.670 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.322 -1.593 2.619 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.248 -1.783 3.665 1.00 0.00 C ATOM 0 HA THR A 78 11.126 -0.905 5.215 1.00 0.00 H new ATOM 0 HB THR A 78 10.669 -3.400 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.292 -1.605 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.745 -2.102 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.713 -2.174 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.262 -0.694 3.709 1.00 0.00 H new ATOM 1153 N LEU A 79 10.276 -2.315 6.988 1.00 0.00 N ATOM 1154 CA LEU A 79 9.905 -3.056 8.181 1.00 0.00 C ATOM 1155 C LEU A 79 8.416 -3.401 8.120 1.00 0.00 C ATOM 1156 O LEU A 79 7.605 -2.591 7.673 1.00 0.00 O ATOM 1157 CB LEU A 79 10.306 -2.283 9.439 1.00 0.00 C ATOM 1158 CG LEU A 79 11.794 -2.311 9.797 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.126 -1.242 10.841 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.222 -3.708 10.251 1.00 0.00 C ATOM 0 H LEU A 79 9.800 -1.420 6.877 1.00 0.00 H new ATOM 0 HA LEU A 79 10.449 -3.999 8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.002 -1.244 9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.742 -2.682 10.282 1.00 0.00 H new ATOM 0 HG LEU A 79 12.366 -2.075 8.900 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.189 -1.283 11.078 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.880 -0.257 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.545 -1.424 11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.283 -3.701 10.499 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.646 -3.997 11.130 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.042 -4.423 9.448 1.00 0.00 H new ATOM 1172 N LEU A 80 8.101 -4.605 8.575 1.00 0.00 N ATOM 1173 CA LEU A 80 6.723 -5.066 8.578 1.00 0.00 C ATOM 1174 C LEU A 80 6.352 -5.543 9.983 1.00 0.00 C ATOM 1175 O LEU A 80 6.776 -6.616 10.411 1.00 0.00 O ATOM 1176 CB LEU A 80 6.511 -6.125 7.493 1.00 0.00 C ATOM 1177 CG LEU A 80 5.058 -6.517 7.215 1.00 0.00 C ATOM 1178 CD1 LEU A 80 4.207 -5.284 6.906 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.977 -7.563 6.101 1.00 0.00 C ATOM 0 H LEU A 80 8.776 -5.275 8.944 1.00 0.00 H new ATOM 0 HA LEU A 80 6.047 -4.248 8.330 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.952 -5.760 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.061 -7.022 7.776 1.00 0.00 H new ATOM 0 HG LEU A 80 4.648 -6.973 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.179 -5.591 6.712 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.228 -4.604 7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.606 -4.777 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.934 -7.825 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.410 -7.156 5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.529 -8.455 6.398 1.00 0.00 H new ATOM 1191 N ASN A 81 5.565 -4.723 10.664 1.00 0.00 N ATOM 1192 CA ASN A 81 5.132 -5.047 12.012 1.00 0.00 C ATOM 1193 C ASN A 81 6.340 -5.018 12.952 1.00 0.00 C ATOM 1194 O ASN A 81 6.441 -4.144 13.811 1.00 0.00 O ATOM 1195 CB ASN A 81 4.521 -6.449 12.072 1.00 0.00 C ATOM 1196 CG ASN A 81 3.396 -6.601 11.046 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.376 -5.935 11.102 1.00 0.00 O ATOM 1198 ND2 ASN A 81 3.640 -7.512 10.108 1.00 0.00 N ATOM 0 H ASN A 81 5.216 -3.834 10.307 1.00 0.00 H new ATOM 0 HA ASN A 81 4.383 -4.313 12.311 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.293 -7.195 11.883 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.133 -6.638 13.073 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.951 -7.688 9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.516 -8.035 10.120 1.00 0.00 H new ATOM 1205 N SER A 82 7.226 -5.983 12.755 1.00 0.00 N ATOM 1206 CA SER A 82 8.422 -6.079 13.574 1.00 0.00 C ATOM 1207 C SER A 82 9.436 -7.014 12.912 1.00 0.00 C ATOM 1208 O SER A 82 9.900 -7.970 13.531 1.00 0.00 O ATOM 1209 CB SER A 82 8.087 -6.571 14.983 1.00 0.00 C ATOM 1210 OG SER A 82 7.927 -5.493 15.901 1.00 0.00 O ATOM 0 H SER A 82 7.139 -6.705 12.040 1.00 0.00 H new ATOM 0 HA SER A 82 8.858 -5.084 13.660 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.171 -7.160 14.953 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.880 -7.232 15.334 1.00 0.00 H new ATOM 0 HG SER A 82 7.412 -4.776 15.477 1.00 0.00 H new ATOM 1216 N ASN A 83 9.750 -6.705 11.663 1.00 0.00 N ATOM 1217 CA ASN A 83 10.701 -7.506 10.910 1.00 0.00 C ATOM 1218 C ASN A 83 11.098 -6.756 9.637 1.00 0.00 C ATOM 1219 O ASN A 83 10.243 -6.205 8.945 1.00 0.00 O ATOM 1220 CB ASN A 83 10.088 -8.845 10.498 1.00 0.00 C ATOM 1221 CG ASN A 83 11.138 -9.958 10.514 1.00 0.00 C ATOM 1222 OD1 ASN A 83 12.288 -9.766 10.155 1.00 0.00 O ATOM 1223 ND2 ASN A 83 10.680 -11.128 10.950 1.00 0.00 N ATOM 0 H ASN A 83 9.363 -5.911 11.153 1.00 0.00 H new ATOM 0 HA ASN A 83 11.568 -7.686 11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.273 -9.100 11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.658 -8.760 9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.304 -11.934 10.999 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.705 -11.220 11.235 1.00 0.00 H new ATOM 1230 N ALA A 84 12.395 -6.759 9.366 1.00 0.00 N ATOM 1231 CA ALA A 84 12.915 -6.086 8.189 1.00 0.00 C ATOM 1232 C ALA A 84 12.688 -6.968 6.960 1.00 0.00 C ATOM 1233 O ALA A 84 13.180 -8.094 6.899 1.00 0.00 O ATOM 1234 CB ALA A 84 14.394 -5.753 8.402 1.00 0.00 C ATOM 0 H ALA A 84 13.101 -7.217 9.942 1.00 0.00 H new ATOM 0 HA ALA A 84 12.390 -5.146 8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.784 -5.248 7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.499 -5.101 9.269 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.954 -6.673 8.571 1.00 0.00 H new ATOM 1240 N LEU A 85 11.941 -6.424 6.010 1.00 0.00 N ATOM 1241 CA LEU A 85 11.642 -7.147 4.786 1.00 0.00 C ATOM 1242 C LEU A 85 12.933 -7.352 3.991 1.00 0.00 C ATOM 1243 O LEU A 85 13.976 -6.801 4.342 1.00 0.00 O ATOM 1244 CB LEU A 85 10.541 -6.435 3.998 1.00 0.00 C ATOM 1245 CG LEU A 85 9.219 -6.219 4.738 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.300 -5.280 3.955 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.542 -7.555 5.052 1.00 0.00 C ATOM 0 H LEU A 85 11.534 -5.490 6.064 1.00 0.00 H new ATOM 0 HA LEU A 85 11.248 -8.137 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.919 -5.464 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.339 -7.010 3.094 1.00 0.00 H new ATOM 0 HG LEU A 85 9.435 -5.736 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.368 -5.143 4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.790 -4.315 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.087 -5.712 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.605 -7.373 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.339 -8.087 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.199 -8.157 5.679 1.00 0.00 H new ATOM 1259 N ASP A 86 12.821 -8.145 2.936 1.00 0.00 N ATOM 1260 CA ASP A 86 13.967 -8.429 2.088 1.00 0.00 C ATOM 1261 C ASP A 86 13.575 -8.227 0.623 1.00 0.00 C ATOM 1262 O ASP A 86 12.407 -8.368 0.265 1.00 0.00 O ATOM 1263 CB ASP A 86 14.432 -9.876 2.258 1.00 0.00 C ATOM 1264 CG ASP A 86 15.937 -10.051 2.473 1.00 0.00 C ATOM 1265 OD1 ASP A 86 16.410 -9.620 3.547 1.00 0.00 O ATOM 1266 OD2 ASP A 86 16.579 -10.612 1.560 1.00 0.00 O ATOM 0 H ASP A 86 11.955 -8.600 2.649 1.00 0.00 H new ATOM 0 HA ASP A 86 14.774 -7.755 2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.906 -10.314 3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.138 -10.442 1.374 1.00 0.00 H new ATOM 1271 N PRO A 87 14.600 -7.890 -0.205 1.00 0.00 N ATOM 1272 CA PRO A 87 14.374 -7.667 -1.623 1.00 0.00 C ATOM 1273 C PRO A 87 14.167 -8.992 -2.360 1.00 0.00 C ATOM 1274 O PRO A 87 13.369 -9.069 -3.292 1.00 0.00 O ATOM 1275 CB PRO A 87 15.599 -6.906 -2.101 1.00 0.00 C ATOM 1276 CG PRO A 87 16.671 -7.136 -1.048 1.00 0.00 C ATOM 1277 CD PRO A 87 15.996 -7.714 0.185 1.00 0.00 C ATOM 0 HA PRO A 87 13.466 -7.097 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 87 15.926 -7.266 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.381 -5.844 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.433 -7.820 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.174 -6.200 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.448 -8.662 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.087 -7.042 1.038 1.00 0.00 H new ATOM 1285 N GLU A 88 14.901 -10.001 -1.914 1.00 0.00 N ATOM 1286 CA GLU A 88 14.808 -11.318 -2.520 1.00 0.00 C ATOM 1287 C GLU A 88 13.753 -12.160 -1.800 1.00 0.00 C ATOM 1288 O GLU A 88 13.807 -13.389 -1.830 1.00 0.00 O ATOM 1289 CB GLU A 88 16.167 -12.021 -2.516 1.00 0.00 C ATOM 1290 CG GLU A 88 17.200 -11.221 -3.311 1.00 0.00 C ATOM 1291 CD GLU A 88 18.326 -12.127 -3.815 1.00 0.00 C ATOM 1292 OE1 GLU A 88 19.169 -12.505 -2.973 1.00 0.00 O ATOM 1293 OE2 GLU A 88 18.318 -12.420 -5.030 1.00 0.00 O ATOM 0 H GLU A 88 15.562 -9.933 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 88 14.502 -11.197 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.512 -12.148 -1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.066 -13.018 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.715 -10.733 -4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.616 -10.433 -2.684 1.00 0.00 H new ATOM 1300 N THR A 89 12.817 -11.466 -1.169 1.00 0.00 N ATOM 1301 CA THR A 89 11.751 -12.135 -0.443 1.00 0.00 C ATOM 1302 C THR A 89 10.446 -11.346 -0.565 1.00 0.00 C ATOM 1303 O THR A 89 10.457 -10.116 -0.558 1.00 0.00 O ATOM 1304 CB THR A 89 12.212 -12.326 1.003 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.433 -13.051 0.885 1.00 0.00 O ATOM 1306 CG2 THR A 89 11.296 -13.265 1.791 1.00 0.00 C ATOM 0 H THR A 89 12.775 -10.447 -1.146 1.00 0.00 H new ATOM 0 HA THR A 89 11.541 -13.118 -0.865 1.00 0.00 H new ATOM 0 HB THR A 89 12.254 -11.357 1.501 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.802 -13.217 1.777 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.668 -13.366 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.286 -12.855 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.280 -14.244 1.312 1.00 0.00 H new ATOM 1314 N SER A 90 9.352 -12.086 -0.674 1.00 0.00 N ATOM 1315 CA SER A 90 8.042 -11.471 -0.798 1.00 0.00 C ATOM 1316 C SER A 90 7.100 -12.027 0.273 1.00 0.00 C ATOM 1317 O SER A 90 6.997 -13.240 0.445 1.00 0.00 O ATOM 1318 CB SER A 90 7.455 -11.701 -2.192 1.00 0.00 C ATOM 1319 OG SER A 90 7.299 -13.087 -2.484 1.00 0.00 O ATOM 0 H SER A 90 9.346 -13.106 -0.679 1.00 0.00 H new ATOM 0 HA SER A 90 8.153 -10.396 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.487 -11.204 -2.264 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.104 -11.244 -2.939 1.00 0.00 H new ATOM 0 HG SER A 90 7.060 -13.569 -1.665 1.00 0.00 H new ATOM 1325 N VAL A 91 6.436 -11.112 0.964 1.00 0.00 N ATOM 1326 CA VAL A 91 5.506 -11.496 2.013 1.00 0.00 C ATOM 1327 C VAL A 91 4.099 -11.030 1.635 1.00 0.00 C ATOM 1328 O VAL A 91 3.939 -10.049 0.911 1.00 0.00 O ATOM 1329 CB VAL A 91 5.978 -10.942 3.359 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.417 -11.768 4.518 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.506 -10.878 3.420 1.00 0.00 C ATOM 0 H VAL A 91 6.523 -10.106 0.818 1.00 0.00 H new ATOM 0 HA VAL A 91 5.473 -12.581 2.117 1.00 0.00 H new ATOM 0 HB VAL A 91 5.596 -9.926 3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.767 -11.354 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.328 -11.740 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.756 -12.800 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.815 -10.481 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.918 -11.879 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.875 -10.229 2.626 1.00 0.00 H new ATOM 1341 N ASN A 92 3.114 -11.756 2.144 1.00 0.00 N ATOM 1342 CA ASN A 92 1.725 -11.429 1.869 1.00 0.00 C ATOM 1343 C ASN A 92 1.216 -10.452 2.931 1.00 0.00 C ATOM 1344 O ASN A 92 1.230 -10.760 4.122 1.00 0.00 O ATOM 1345 CB ASN A 92 0.845 -12.680 1.918 1.00 0.00 C ATOM 1346 CG ASN A 92 0.802 -13.266 3.331 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.030 -12.851 4.179 1.00 0.00 O ATOM 1348 ND2 ASN A 92 1.672 -14.251 3.535 1.00 0.00 N ATOM 0 H ASN A 92 3.250 -12.569 2.745 1.00 0.00 H new ATOM 0 HA ASN A 92 1.673 -10.989 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.165 -12.431 1.593 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.229 -13.426 1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 92 1.721 -14.708 4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.290 -14.550 2.781 1.00 0.00 H new ATOM 1355 N LEU A 93 0.777 -9.293 2.461 1.00 0.00 N ATOM 1356 CA LEU A 93 0.265 -8.269 3.355 1.00 0.00 C ATOM 1357 C LEU A 93 -0.860 -8.859 4.208 1.00 0.00 C ATOM 1358 O LEU A 93 -1.436 -9.888 3.856 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.150 -7.027 2.564 1.00 0.00 C ATOM 1360 CG LEU A 93 0.990 -6.200 1.966 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.465 -5.221 0.914 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.787 -5.491 3.063 1.00 0.00 C ATOM 0 H LEU A 93 0.766 -9.041 1.473 1.00 0.00 H new ATOM 0 HA LEU A 93 1.045 -7.937 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.809 -7.340 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.735 -6.382 3.220 1.00 0.00 H new ATOM 0 HG LEU A 93 1.675 -6.879 1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.296 -4.646 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.022 -5.776 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.254 -4.543 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.591 -4.910 2.611 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.127 -4.825 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.211 -6.232 3.741 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.140 -8.182 5.312 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.186 -8.627 6.218 1.00 0.00 C ATOM 1376 C GLY A 94 -2.892 -7.435 6.867 1.00 0.00 C ATOM 1377 O GLY A 94 -2.283 -6.386 7.074 1.00 0.00 O ATOM 0 H GLY A 94 -0.661 -7.329 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.911 -9.231 5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.756 -9.264 6.991 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.166 -7.636 7.170 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.961 -6.590 7.791 1.00 0.00 C ATOM 1383 C ASP A 95 -4.385 -6.269 9.171 1.00 0.00 C ATOM 1384 O ASP A 95 -4.409 -7.110 10.069 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.412 -7.039 7.977 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.172 -6.324 9.096 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -6.916 -6.674 10.269 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.991 -5.445 8.754 1.00 0.00 O ATOM 0 H ASP A 95 -4.667 -8.507 6.997 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.934 -5.715 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.947 -6.886 7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.422 -8.110 8.178 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.880 -5.051 9.298 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.298 -4.609 10.554 1.00 0.00 C ATOM 1395 C GLY A 96 -1.770 -4.666 10.501 1.00 0.00 C ATOM 1396 O GLY A 96 -1.106 -4.573 11.532 1.00 0.00 O ATOM 0 H GLY A 96 -3.862 -4.356 8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.620 -3.590 10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.661 -5.237 11.368 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.257 -4.818 9.289 1.00 0.00 N ATOM 1401 CA ASP A 97 0.180 -4.889 9.087 1.00 0.00 C ATOM 1402 C ASP A 97 0.749 -3.471 9.004 1.00 0.00 C ATOM 1403 O ASP A 97 0.296 -2.663 8.194 1.00 0.00 O ATOM 1404 CB ASP A 97 0.519 -5.612 7.782 1.00 0.00 C ATOM 1405 CG ASP A 97 0.269 -7.121 7.796 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.472 -7.566 8.699 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.824 -7.796 6.902 1.00 0.00 O ATOM 0 H ASP A 97 -1.811 -4.894 8.436 1.00 0.00 H new ATOM 0 HA ASP A 97 0.611 -5.437 9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.066 -5.169 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.569 -5.435 7.548 1.00 0.00 H new ATOM 1412 N VAL A 98 1.733 -3.211 9.852 1.00 0.00 N ATOM 1413 CA VAL A 98 2.368 -1.905 9.885 1.00 0.00 C ATOM 1414 C VAL A 98 3.633 -1.937 9.024 1.00 0.00 C ATOM 1415 O VAL A 98 4.506 -2.779 9.228 1.00 0.00 O ATOM 1416 CB VAL A 98 2.640 -1.491 11.332 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.731 -0.420 11.400 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.358 -1.013 12.016 1.00 0.00 C ATOM 0 H VAL A 98 2.106 -3.883 10.522 1.00 0.00 H new ATOM 0 HA VAL A 98 1.707 -1.148 9.464 1.00 0.00 H new ATOM 0 HB VAL A 98 2.999 -2.369 11.870 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.905 -0.143 12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.653 -0.812 10.970 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.413 0.459 10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.580 -0.725 13.044 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.956 -0.155 11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.623 -1.818 12.015 1.00 0.00 H new ATOM 1428 N ILE A 99 3.691 -1.009 8.080 1.00 0.00 N ATOM 1429 CA ILE A 99 4.835 -0.920 7.188 1.00 0.00 C ATOM 1430 C ILE A 99 5.667 0.311 7.553 1.00 0.00 C ATOM 1431 O ILE A 99 5.266 1.441 7.275 1.00 0.00 O ATOM 1432 CB ILE A 99 4.378 -0.942 5.728 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.394 -2.087 5.478 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.577 -0.999 4.779 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.594 -1.853 4.196 1.00 0.00 C ATOM 0 H ILE A 99 2.965 -0.312 7.913 1.00 0.00 H new ATOM 0 HA ILE A 99 5.481 -1.789 7.310 1.00 0.00 H new ATOM 0 HB ILE A 99 3.848 -0.012 5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.938 -3.029 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.713 -2.177 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.224 -1.014 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.206 -0.123 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.156 -1.901 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.903 -2.681 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.032 -0.923 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.276 -1.788 3.348 1.00 0.00 H new ATOM 1447 N LYS A 100 6.810 0.051 8.171 1.00 0.00 N ATOM 1448 CA LYS A 100 7.701 1.124 8.577 1.00 0.00 C ATOM 1449 C LYS A 100 8.828 1.261 7.551 1.00 0.00 C ATOM 1450 O LYS A 100 9.734 0.430 7.505 1.00 0.00 O ATOM 1451 CB LYS A 100 8.196 0.898 10.007 1.00 0.00 C ATOM 1452 CG LYS A 100 7.255 1.550 11.022 1.00 0.00 C ATOM 1453 CD LYS A 100 7.211 0.747 12.324 1.00 0.00 C ATOM 1454 CE LYS A 100 8.007 1.446 13.427 1.00 0.00 C ATOM 1455 NZ LYS A 100 7.742 0.814 14.738 1.00 0.00 N ATOM 0 H LYS A 100 7.139 -0.887 8.400 1.00 0.00 H new ATOM 0 HA LYS A 100 7.168 2.075 8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.267 -0.171 10.206 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.199 1.310 10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.586 2.567 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.252 1.621 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.176 0.620 12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 100 7.617 -0.250 12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.072 1.397 13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.738 2.502 13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.290 1.301 15.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.728 0.883 14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.021 -0.187 14.703 1.00 0.00 H new ATOM 1469 N LEU A 101 8.736 2.315 6.754 1.00 0.00 N ATOM 1470 CA LEU A 101 9.736 2.571 5.732 1.00 0.00 C ATOM 1471 C LEU A 101 10.298 3.982 5.917 1.00 0.00 C ATOM 1472 O LEU A 101 9.706 4.804 6.614 1.00 0.00 O ATOM 1473 CB LEU A 101 9.156 2.317 4.339 1.00 0.00 C ATOM 1474 CG LEU A 101 8.097 3.313 3.862 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.155 3.490 2.343 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.703 2.902 4.339 1.00 0.00 C ATOM 0 H LEU A 101 7.983 3.002 6.795 1.00 0.00 H new ATOM 0 HA LEU A 101 10.572 1.879 5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.976 2.316 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.719 1.318 4.325 1.00 0.00 H new ATOM 0 HG LEU A 101 8.316 4.283 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.392 4.203 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.139 3.863 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.976 2.531 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.969 3.627 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.459 1.916 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.686 2.870 5.428 1.00 0.00 H new ATOM 1488 N GLY A 102 11.436 4.219 5.280 1.00 0.00 N ATOM 1489 CA GLY A 102 12.085 5.516 5.365 1.00 0.00 C ATOM 1490 C GLY A 102 12.717 5.724 6.743 1.00 0.00 C ATOM 1491 O GLY A 102 13.504 4.896 7.199 1.00 0.00 O ATOM 0 H GLY A 102 11.925 3.534 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.851 5.594 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.357 6.304 5.172 1.00 0.00 H new ATOM 1495 N GLU A 103 12.348 6.833 7.367 1.00 0.00 N ATOM 1496 CA GLU A 103 12.869 7.159 8.683 1.00 0.00 C ATOM 1497 C GLU A 103 11.799 6.922 9.751 1.00 0.00 C ATOM 1498 O GLU A 103 11.920 6.007 10.564 1.00 0.00 O ATOM 1499 CB GLU A 103 13.379 8.601 8.729 1.00 0.00 C ATOM 1500 CG GLU A 103 14.393 8.859 7.613 1.00 0.00 C ATOM 1501 CD GLU A 103 15.402 9.932 8.026 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.682 10.010 9.242 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.870 10.651 7.117 1.00 0.00 O ATOM 0 H GLU A 103 11.694 7.517 6.985 1.00 0.00 H new ATOM 0 HA GLU A 103 13.714 6.502 8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.541 9.290 8.630 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.840 8.797 9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.918 7.934 7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.872 9.174 6.709 1.00 0.00 H new ATOM 1510 N TYR A 104 10.776 7.764 9.715 1.00 0.00 N ATOM 1511 CA TYR A 104 9.686 7.657 10.670 1.00 0.00 C ATOM 1512 C TYR A 104 8.332 7.632 9.956 1.00 0.00 C ATOM 1513 O TYR A 104 7.444 8.421 10.274 1.00 0.00 O ATOM 1514 CB TYR A 104 9.765 8.911 11.543 1.00 0.00 C ATOM 1515 CG TYR A 104 10.974 8.942 12.480 1.00 0.00 C ATOM 1516 CD1 TYR A 104 10.934 8.262 13.680 1.00 0.00 C ATOM 1517 CD2 TYR A 104 12.104 9.650 12.125 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.072 8.290 14.562 1.00 0.00 C ATOM 1519 CE2 TYR A 104 13.242 9.679 13.007 1.00 0.00 C ATOM 1520 CZ TYR A 104 13.170 8.998 14.182 1.00 0.00 C ATOM 1521 OH TYR A 104 14.245 9.025 15.015 1.00 0.00 O ATOM 0 H TYR A 104 10.679 8.523 9.040 1.00 0.00 H new ATOM 0 HA TYR A 104 9.773 6.738 11.250 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.796 9.789 10.898 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.855 8.985 12.138 1.00 0.00 H new ATOM 0 HD1 TYR A 104 10.049 7.709 13.958 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.135 10.182 11.186 1.00 0.00 H new ATOM 0 HE1 TYR A 104 12.054 7.761 15.503 1.00 0.00 H new ATOM 0 HE2 TYR A 104 14.133 10.229 12.741 1.00 0.00 H new ATOM 0 HH TYR A 104 14.956 9.568 14.614 1.00 0.00 H new ATOM 1531 N THR A 105 8.218 6.717 9.005 1.00 0.00 N ATOM 1532 CA THR A 105 6.989 6.578 8.244 1.00 0.00 C ATOM 1533 C THR A 105 6.414 5.170 8.411 1.00 0.00 C ATOM 1534 O THR A 105 7.075 4.184 8.089 1.00 0.00 O ATOM 1535 CB THR A 105 7.290 6.943 6.789 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.306 8.368 6.784 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.141 6.581 5.845 1.00 0.00 C ATOM 0 H THR A 105 8.957 6.064 8.744 1.00 0.00 H new ATOM 0 HA THR A 105 6.218 7.255 8.611 1.00 0.00 H new ATOM 0 HB THR A 105 8.199 6.434 6.468 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.496 8.690 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.406 6.861 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.957 5.508 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.240 7.116 6.146 1.00 0.00 H new ATOM 1545 N SER A 106 5.189 5.121 8.914 1.00 0.00 N ATOM 1546 CA SER A 106 4.518 3.850 9.127 1.00 0.00 C ATOM 1547 C SER A 106 3.197 3.820 8.355 1.00 0.00 C ATOM 1548 O SER A 106 2.439 4.788 8.377 1.00 0.00 O ATOM 1549 CB SER A 106 4.268 3.603 10.616 1.00 0.00 C ATOM 1550 OG SER A 106 5.460 3.730 11.386 1.00 0.00 O ATOM 0 H SER A 106 4.644 5.941 9.180 1.00 0.00 H new ATOM 0 HA SER A 106 5.165 3.055 8.758 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.524 4.311 10.981 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.853 2.605 10.753 1.00 0.00 H new ATOM 0 HG SER A 106 5.258 3.567 12.331 1.00 0.00 H new ATOM 1556 N ILE A 107 2.963 2.697 7.691 1.00 0.00 N ATOM 1557 CA ILE A 107 1.747 2.528 6.914 1.00 0.00 C ATOM 1558 C ILE A 107 0.988 1.302 7.424 1.00 0.00 C ATOM 1559 O ILE A 107 1.580 0.246 7.640 1.00 0.00 O ATOM 1560 CB ILE A 107 2.070 2.474 5.419 1.00 0.00 C ATOM 1561 CG1 ILE A 107 3.033 3.596 5.025 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.790 2.496 4.581 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.551 3.398 3.599 1.00 0.00 C ATOM 0 H ILE A 107 3.594 1.896 7.675 1.00 0.00 H new ATOM 0 HA ILE A 107 1.089 3.387 7.044 1.00 0.00 H new ATOM 0 HB ILE A 107 2.574 1.530 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.527 4.558 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.872 3.621 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.047 2.457 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.173 1.635 4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.237 3.412 4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.233 4.209 3.344 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.078 2.446 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.712 3.398 2.904 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.313 1.482 7.600 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.160 0.403 8.081 1.00 0.00 C ATOM 1577 C LEU A 108 -1.903 -0.221 6.898 1.00 0.00 C ATOM 1578 O LEU A 108 -2.353 0.488 5.999 1.00 0.00 O ATOM 1579 CB LEU A 108 -2.083 0.902 9.194 1.00 0.00 C ATOM 1580 CG LEU A 108 -3.434 0.192 9.313 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -3.247 -1.292 9.632 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -4.331 0.890 10.338 1.00 0.00 C ATOM 0 H LEU A 108 -0.801 2.359 7.418 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.556 -0.385 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.559 0.805 10.145 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.266 1.965 9.038 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.938 0.253 8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.222 -1.773 9.711 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.672 -1.766 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.713 -1.397 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.285 0.366 10.404 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.844 0.881 11.313 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.504 1.921 10.028 1.00 0.00 H new ATOM 1594 N VAL A 109 -2.011 -1.541 6.937 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.692 -2.268 5.880 1.00 0.00 C ATOM 1596 C VAL A 109 -4.063 -2.724 6.383 1.00 0.00 C ATOM 1597 O VAL A 109 -4.155 -3.472 7.355 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.818 -3.426 5.394 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.592 -4.332 4.434 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.534 -2.908 4.744 1.00 0.00 C ATOM 0 H VAL A 109 -1.638 -2.126 7.685 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.860 -1.622 5.019 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.537 -4.021 6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.948 -5.147 4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.464 -4.742 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.917 -3.753 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.069 -3.751 4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.786 -2.279 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.032 -2.324 5.470 1.00 0.00 H new ATOM 1610 N ASN A 110 -5.096 -2.255 5.698 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.458 -2.605 6.063 1.00 0.00 C ATOM 1612 C ASN A 110 -7.168 -3.205 4.848 1.00 0.00 C ATOM 1613 O ASN A 110 -7.124 -2.639 3.757 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.243 -1.370 6.508 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.588 -1.447 7.997 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.735 -1.349 8.401 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -6.534 -1.628 8.787 1.00 0.00 N ATOM 0 H ASN A 110 -5.017 -1.635 4.892 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.415 -3.320 6.885 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.657 -0.472 6.313 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.159 -1.286 5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.659 -1.693 9.797 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.600 -1.702 8.383 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.807 -4.342 5.078 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.527 -5.025 4.016 1.00 0.00 C ATOM 1626 C PHE A 111 -9.999 -4.609 3.996 1.00 0.00 C ATOM 1627 O PHE A 111 -10.769 -4.997 4.873 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.436 -6.524 4.307 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.060 -7.131 4.027 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.349 -6.731 2.938 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.546 -8.069 4.867 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.071 -7.293 2.679 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.269 -8.632 4.607 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.558 -8.232 3.519 1.00 0.00 C ATOM 0 H PHE A 111 -7.841 -4.808 5.985 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.093 -4.771 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.692 -6.697 5.352 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.181 -7.046 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.757 -5.986 2.271 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.110 -8.386 5.732 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.506 -6.975 1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.862 -9.378 5.273 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.586 -8.660 3.322 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.346 -3.826 2.985 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.712 -3.353 2.839 1.00 0.00 C ATOM 1646 C VAL A 112 -12.519 -4.380 2.043 1.00 0.00 C ATOM 1647 O VAL A 112 -12.302 -4.551 0.844 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.719 -1.962 2.202 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.129 -1.368 2.198 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.733 -1.030 2.909 1.00 0.00 C ATOM 0 H VAL A 112 -9.704 -3.507 2.259 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.188 -3.251 3.814 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.397 -2.066 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.106 -0.379 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.795 -2.016 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.492 -1.285 3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.758 -0.048 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.011 -0.935 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.727 -1.442 2.836 1.00 0.00 H new