USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 Single : A 13 LYS NZ :NH3+ -169:sc= 0.00116 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -74:sc= -3.23! USER MOD Single : A 27 ASN : amide:sc= 0.193 K(o=0.19,f=-6.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 32 HIS : no HD1:sc=-0.00345 X(o=-0.0035,f=-0.013) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.42 X(o=-0.42,f=-0.91) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.26! C(o=-5.3!,f=-3.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -7.02! C(o=-7!,f=-5.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.581 K(o=-0.58,f=-6.1!) USER MOD Single : A 77 THR OG1 : rot 33:sc= -6.44! USER MOD Single : A 80 ASN : amide:sc= -2.61 K(o=-2.6,f=-2.1) USER MOD Single : A 81 THR OG1 : rot -89:sc= -0.403 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.463 -1.602 -5.259 1.00 15.00 N ATOM 73 CA ILE A 6 -10.017 -1.685 -5.337 1.00 15.00 C ATOM 74 C ILE A 6 -9.437 -0.410 -5.946 1.00 15.00 C ATOM 75 O ILE A 6 -10.047 0.195 -6.828 1.00 15.00 O ATOM 76 CB ILE A 6 -9.605 -2.908 -6.185 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.091 -4.032 -5.284 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.553 -2.537 -7.227 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.151 -4.602 -4.367 1.00 15.00 C ATOM 0 HA ILE A 6 -9.621 -1.798 -4.328 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.490 -3.258 -6.717 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.692 -4.833 -5.907 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.265 -3.655 -4.681 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.286 -3.421 -7.806 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.955 -1.774 -7.894 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.666 -2.150 -6.726 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.717 -5.394 -3.757 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.534 -3.814 -3.719 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.967 -5.009 -4.963 1.00 15.00 H new ATOM 91 N PHE A 7 -8.257 -0.010 -5.485 1.00 15.00 N ATOM 92 CA PHE A 7 -7.616 1.186 -6.011 1.00 15.00 C ATOM 93 C PHE A 7 -6.108 0.998 -6.126 1.00 15.00 C ATOM 94 O PHE A 7 -5.478 0.381 -5.267 1.00 15.00 O ATOM 95 CB PHE A 7 -7.948 2.408 -5.145 1.00 15.00 C ATOM 96 CG PHE A 7 -7.138 2.520 -3.880 1.00 15.00 C ATOM 97 CD1 PHE A 7 -5.804 2.897 -3.924 1.00 15.00 C ATOM 98 CD2 PHE A 7 -7.715 2.260 -2.648 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.063 3.011 -2.764 1.00 15.00 C ATOM 100 CE2 PHE A 7 -6.980 2.375 -1.484 1.00 15.00 C ATOM 101 CZ PHE A 7 -5.651 2.751 -1.542 1.00 15.00 C ATOM 0 H PHE A 7 -7.731 -0.492 -4.756 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.008 1.361 -7.013 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -7.796 3.309 -5.739 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.005 2.374 -4.882 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.339 3.104 -4.877 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -8.752 1.964 -2.597 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.024 3.303 -2.813 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.443 2.171 -0.530 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.074 2.841 -0.634 1.00 15.00 H new ATOM 111 N GLU A 8 -5.539 1.534 -7.199 1.00 15.00 N ATOM 112 CA GLU A 8 -4.107 1.430 -7.443 1.00 15.00 C ATOM 113 C GLU A 8 -3.435 2.794 -7.360 1.00 15.00 C ATOM 114 O GLU A 8 -3.981 3.803 -7.807 1.00 15.00 O ATOM 115 CB GLU A 8 -3.851 0.816 -8.815 1.00 15.00 C ATOM 116 CG GLU A 8 -4.572 1.530 -9.938 1.00 15.00 C ATOM 117 CD GLU A 8 -5.763 0.750 -10.459 1.00 15.00 C ATOM 118 OE1 GLU A 8 -6.588 0.304 -9.635 1.00 15.00 O ATOM 119 OE2 GLU A 8 -5.871 0.586 -11.693 1.00 15.00 O ATOM 0 H GLU A 8 -6.051 2.047 -7.917 1.00 15.00 H new ATOM 0 HA GLU A 8 -3.681 0.788 -6.672 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.780 0.828 -9.016 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.161 -0.229 -8.801 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -4.908 2.505 -9.586 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -3.874 1.709 -10.756 1.00 15.00 H new ATOM 126 N VAL A 9 -2.239 2.805 -6.795 1.00 15.00 N ATOM 127 CA VAL A 9 -1.457 4.025 -6.651 1.00 15.00 C ATOM 128 C VAL A 9 -0.379 4.078 -7.726 1.00 15.00 C ATOM 129 O VAL A 9 0.532 3.251 -7.748 1.00 15.00 O ATOM 130 CB VAL A 9 -0.823 4.141 -5.236 1.00 15.00 C ATOM 131 CG1 VAL A 9 -0.834 2.796 -4.519 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.594 4.700 -5.300 1.00 15.00 C ATOM 0 H VAL A 9 -1.783 1.972 -6.424 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.131 4.873 -6.774 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.433 4.841 -4.665 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.385 2.906 -3.532 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -1.862 2.448 -4.413 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.263 2.070 -5.098 1.00 15.00 H new ATOM 0 HG21 VAL A 9 1.005 4.767 -4.293 1.00 15.00 H new ATOM 0 HG22 VAL A 9 1.218 4.041 -5.903 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.574 5.693 -5.750 1.00 15.00 H new ATOM 142 N GLU A 10 -0.502 5.043 -8.626 1.00 15.00 N ATOM 143 CA GLU A 10 0.448 5.188 -9.718 1.00 15.00 C ATOM 144 C GLU A 10 1.385 6.371 -9.503 1.00 15.00 C ATOM 145 O GLU A 10 1.298 7.382 -10.201 1.00 15.00 O ATOM 146 CB GLU A 10 -0.307 5.349 -11.032 1.00 15.00 C ATOM 147 CG GLU A 10 0.596 5.433 -12.251 1.00 15.00 C ATOM 148 CD GLU A 10 -0.184 5.515 -13.549 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.651 4.461 -14.029 1.00 15.00 O ATOM 150 OE2 GLU A 10 -0.329 6.634 -14.084 1.00 15.00 O ATOM 0 H GLU A 10 -1.250 5.736 -8.621 1.00 15.00 H new ATOM 0 HA GLU A 10 1.062 4.288 -9.752 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -0.989 4.508 -11.154 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -0.918 6.250 -10.981 1.00 15.00 H new ATOM 0 HG2 GLU A 10 1.240 6.308 -12.162 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.247 4.559 -12.277 1.00 15.00 H new ATOM 157 N LEU A 11 2.294 6.231 -8.546 1.00 15.00 N ATOM 158 CA LEU A 11 3.263 7.281 -8.255 1.00 15.00 C ATOM 159 C LEU A 11 4.503 7.099 -9.122 1.00 15.00 C ATOM 160 O LEU A 11 4.683 6.052 -9.738 1.00 15.00 O ATOM 161 CB LEU A 11 3.649 7.264 -6.773 1.00 15.00 C ATOM 162 CG LEU A 11 3.824 8.644 -6.129 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.508 9.408 -6.119 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.369 8.505 -4.716 1.00 15.00 C ATOM 0 H LEU A 11 2.381 5.402 -7.959 1.00 15.00 H new ATOM 0 HA LEU A 11 2.808 8.245 -8.481 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.884 6.717 -6.221 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.580 6.708 -6.663 1.00 15.00 H new ATOM 0 HG LEU A 11 4.541 9.209 -6.724 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.657 10.384 -5.657 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.157 9.541 -7.142 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.766 8.847 -5.550 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.487 9.494 -4.273 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.675 7.918 -4.114 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.336 8.003 -4.747 1.00 15.00 H new ATOM 176 N ALA A 12 5.357 8.115 -9.173 1.00 15.00 N ATOM 177 CA ALA A 12 6.574 8.037 -9.974 1.00 15.00 C ATOM 178 C ALA A 12 7.767 7.617 -9.123 1.00 15.00 C ATOM 179 O ALA A 12 8.389 8.440 -8.453 1.00 15.00 O ATOM 180 CB ALA A 12 6.848 9.363 -10.659 1.00 15.00 C ATOM 0 H ALA A 12 5.232 8.996 -8.674 1.00 15.00 H new ATOM 0 HA ALA A 12 6.423 7.276 -10.740 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.760 9.285 -11.252 1.00 15.00 H new ATOM 0 HB2 ALA A 12 6.012 9.615 -11.311 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.970 10.143 -9.907 1.00 15.00 H new ATOM 186 N LYS A 13 8.072 6.326 -9.156 1.00 15.00 N ATOM 187 CA LYS A 13 9.182 5.772 -8.391 1.00 15.00 C ATOM 188 C LYS A 13 10.521 6.348 -8.852 1.00 15.00 C ATOM 189 O LYS A 13 11.472 6.436 -8.075 1.00 15.00 O ATOM 190 CB LYS A 13 9.191 4.248 -8.529 1.00 15.00 C ATOM 191 CG LYS A 13 9.705 3.524 -7.298 1.00 15.00 C ATOM 192 CD LYS A 13 11.122 3.944 -6.956 1.00 15.00 C ATOM 193 CE LYS A 13 11.140 4.960 -5.825 1.00 15.00 C ATOM 194 NZ LYS A 13 12.525 5.380 -5.476 1.00 15.00 N ATOM 0 H LYS A 13 7.561 5.638 -9.709 1.00 15.00 H new ATOM 0 HA LYS A 13 9.045 6.045 -7.345 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.179 3.906 -8.744 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.808 3.974 -9.384 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.049 3.731 -6.453 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.675 2.448 -7.469 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.704 3.068 -6.670 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.600 4.370 -7.838 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.558 5.835 -6.114 1.00 15.00 H new ATOM 0 HE3 LYS A 13 10.658 4.533 -4.946 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 12.510 5.923 -4.589 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 13.123 4.538 -5.357 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.910 5.973 -6.238 1.00 15.00 H new ATOM 259 N LEU A 18 8.414 7.063 -1.660 1.00 15.00 N ATOM 260 CA LEU A 18 7.141 7.182 -0.965 1.00 15.00 C ATOM 261 C LEU A 18 7.317 7.901 0.367 1.00 15.00 C ATOM 262 O LEU A 18 8.376 8.462 0.649 1.00 15.00 O ATOM 263 CB LEU A 18 6.512 5.803 -0.737 1.00 15.00 C ATOM 264 CG LEU A 18 6.651 4.826 -1.905 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.904 3.534 -1.612 1.00 15.00 C ATOM 266 CD2 LEU A 18 6.142 5.458 -3.192 1.00 15.00 C ATOM 0 HA LEU A 18 6.472 7.770 -1.594 1.00 15.00 H new ATOM 0 HB2 LEU A 18 6.966 5.355 0.147 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.452 5.936 -0.519 1.00 15.00 H new ATOM 0 HG LEU A 18 7.707 4.590 -2.032 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.014 2.851 -2.454 1.00 15.00 H new ATOM 0 HD12 LEU A 18 6.314 3.072 -0.714 1.00 15.00 H new ATOM 0 HD13 LEU A 18 4.847 3.752 -1.457 1.00 15.00 H new ATOM 0 HD21 LEU A 18 6.249 4.749 -4.013 1.00 15.00 H new ATOM 0 HD22 LEU A 18 5.091 5.724 -3.076 1.00 15.00 H new ATOM 0 HD23 LEU A 18 6.721 6.355 -3.411 1.00 15.00 H new ATOM 278 N GLY A 19 6.268 7.879 1.180 1.00 15.00 N ATOM 279 CA GLY A 19 6.309 8.530 2.474 1.00 15.00 C ATOM 280 C GLY A 19 5.232 8.013 3.394 1.00 15.00 C ATOM 281 O GLY A 19 4.618 8.775 4.136 1.00 15.00 O ATOM 0 H GLY A 19 5.384 7.418 0.963 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.286 8.370 2.931 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.191 9.606 2.344 1.00 15.00 H new ATOM 285 N ILE A 20 4.990 6.714 3.327 1.00 15.00 N ATOM 286 CA ILE A 20 3.970 6.087 4.147 1.00 15.00 C ATOM 287 C ILE A 20 4.572 5.144 5.183 1.00 15.00 C ATOM 288 O ILE A 20 5.500 4.390 4.891 1.00 15.00 O ATOM 289 CB ILE A 20 2.959 5.315 3.272 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.540 5.765 3.603 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.098 3.817 3.476 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.485 4.719 3.337 1.00 15.00 C ATOM 0 H ILE A 20 5.489 6.072 2.710 1.00 15.00 H new ATOM 0 HA ILE A 20 3.453 6.888 4.675 1.00 15.00 H new ATOM 0 HB ILE A 20 3.169 5.533 2.225 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.497 6.051 4.654 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.308 6.657 3.021 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.375 3.296 2.849 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.106 3.505 3.204 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.913 3.574 4.522 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.496 5.117 3.598 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.498 4.449 2.281 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.690 3.834 3.940 1.00 15.00 H new ATOM 304 N SER A 21 3.998 5.158 6.376 1.00 15.00 N ATOM 305 CA SER A 21 4.429 4.271 7.441 1.00 15.00 C ATOM 306 C SER A 21 3.513 3.052 7.433 1.00 15.00 C ATOM 307 O SER A 21 2.341 3.147 7.795 1.00 15.00 O ATOM 308 CB SER A 21 4.382 4.989 8.793 1.00 15.00 C ATOM 309 OG SER A 21 4.738 4.115 9.850 1.00 15.00 O ATOM 0 H SER A 21 3.229 5.778 6.630 1.00 15.00 H new ATOM 0 HA SER A 21 5.461 3.959 7.281 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.061 5.842 8.779 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.380 5.382 8.964 1.00 15.00 H new ATOM 0 HG SER A 21 4.701 4.599 10.701 1.00 15.00 H new ATOM 315 N VAL A 22 4.030 1.923 6.961 1.00 15.00 N ATOM 316 CA VAL A 22 3.225 0.711 6.846 1.00 15.00 C ATOM 317 C VAL A 22 3.337 -0.196 8.060 1.00 15.00 C ATOM 318 O VAL A 22 4.345 -0.205 8.766 1.00 15.00 O ATOM 319 CB VAL A 22 3.612 -0.092 5.590 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.415 0.744 4.335 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.050 -0.578 5.687 1.00 15.00 C ATOM 0 H VAL A 22 4.997 1.821 6.653 1.00 15.00 H new ATOM 0 HA VAL A 22 2.192 1.050 6.773 1.00 15.00 H new ATOM 0 HB VAL A 22 2.958 -0.962 5.527 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.694 0.158 3.460 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.369 1.039 4.255 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.041 1.635 4.389 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.304 -1.143 4.790 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.718 0.278 5.778 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.159 -1.218 6.562 1.00 15.00 H new ATOM 331 N THR A 23 2.273 -0.960 8.287 1.00 15.00 N ATOM 332 CA THR A 23 2.207 -1.886 9.404 1.00 15.00 C ATOM 333 C THR A 23 1.337 -3.096 9.054 1.00 15.00 C ATOM 334 O THR A 23 0.792 -3.184 7.950 1.00 15.00 O ATOM 335 CB THR A 23 1.657 -1.166 10.635 1.00 15.00 C ATOM 336 OG1 THR A 23 1.738 0.237 10.467 1.00 15.00 O ATOM 337 CG2 THR A 23 2.394 -1.510 11.906 1.00 15.00 C ATOM 0 H THR A 23 1.437 -0.952 7.702 1.00 15.00 H new ATOM 0 HA THR A 23 3.212 -2.248 9.623 1.00 15.00 H new ATOM 0 HB THR A 23 0.624 -1.500 10.728 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.670 0.525 10.563 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.953 -0.965 12.741 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.319 -2.581 12.092 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.443 -1.232 11.805 1.00 15.00 H new ATOM 345 N GLY A 24 1.212 -4.026 9.997 1.00 15.00 N ATOM 346 CA GLY A 24 0.409 -5.215 9.764 1.00 15.00 C ATOM 347 C GLY A 24 1.093 -6.199 8.836 1.00 15.00 C ATOM 348 O GLY A 24 2.189 -6.674 9.126 1.00 15.00 O ATOM 0 H GLY A 24 1.651 -3.978 10.916 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.201 -5.702 10.717 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.551 -4.924 9.338 1.00 15.00 H new ATOM 352 N GLY A 25 0.448 -6.496 7.711 1.00 15.00 N ATOM 353 CA GLY A 25 1.021 -7.416 6.745 1.00 15.00 C ATOM 354 C GLY A 25 1.107 -8.846 7.244 1.00 15.00 C ATOM 355 O GLY A 25 0.451 -9.735 6.701 1.00 15.00 O ATOM 0 H GLY A 25 -0.462 -6.115 7.451 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.422 -7.393 5.835 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.020 -7.073 6.478 1.00 15.00 H new ATOM 359 N VAL A 26 1.934 -9.067 8.266 1.00 15.00 N ATOM 360 CA VAL A 26 2.136 -10.401 8.845 1.00 15.00 C ATOM 361 C VAL A 26 0.884 -11.271 8.749 1.00 15.00 C ATOM 362 O VAL A 26 -0.234 -10.791 8.929 1.00 15.00 O ATOM 363 CB VAL A 26 2.565 -10.312 10.321 1.00 15.00 C ATOM 364 CG1 VAL A 26 4.054 -10.025 10.429 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.755 -9.250 11.044 1.00 15.00 C ATOM 0 H VAL A 26 2.481 -8.333 8.716 1.00 15.00 H new ATOM 0 HA VAL A 26 2.929 -10.865 8.259 1.00 15.00 H new ATOM 0 HB VAL A 26 2.371 -11.273 10.797 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.338 -9.966 11.480 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.615 -10.825 9.946 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.278 -9.078 9.939 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.070 -9.199 12.086 1.00 15.00 H new ATOM 0 HG22 VAL A 26 1.917 -8.283 10.568 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.696 -9.505 10.997 1.00 15.00 H new ATOM 375 N ASN A 27 1.087 -12.552 8.460 1.00 15.00 N ATOM 376 CA ASN A 27 -0.019 -13.494 8.334 1.00 15.00 C ATOM 377 C ASN A 27 -0.573 -13.874 9.703 1.00 15.00 C ATOM 378 O ASN A 27 -0.492 -15.030 10.119 1.00 15.00 O ATOM 379 CB ASN A 27 0.442 -14.750 7.591 1.00 15.00 C ATOM 380 CG ASN A 27 1.667 -15.379 8.224 1.00 15.00 C ATOM 381 OD1 ASN A 27 2.554 -14.681 8.715 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.723 -16.706 8.214 1.00 15.00 N ATOM 0 H ASN A 27 2.009 -12.962 8.308 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.813 -13.011 7.765 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.369 -15.478 7.575 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.662 -14.495 6.554 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.524 -17.186 8.624 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.965 -17.245 7.796 1.00 15.00 H new ATOM 389 N THR A 28 -1.137 -12.894 10.402 1.00 15.00 N ATOM 390 CA THR A 28 -1.705 -13.129 11.724 1.00 15.00 C ATOM 391 C THR A 28 -2.840 -12.152 12.015 1.00 15.00 C ATOM 392 O THR A 28 -3.983 -12.558 12.225 1.00 15.00 O ATOM 393 CB THR A 28 -0.622 -13.005 12.796 1.00 15.00 C ATOM 394 OG1 THR A 28 0.584 -13.611 12.364 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.008 -13.640 14.115 1.00 15.00 C ATOM 0 H THR A 28 -1.213 -11.931 10.075 1.00 15.00 H new ATOM 0 HA THR A 28 -2.111 -14.141 11.741 1.00 15.00 H new ATOM 0 HB THR A 28 -0.492 -11.934 12.952 1.00 15.00 H new ATOM 0 HG1 THR A 28 1.265 -13.520 13.063 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.195 -13.516 14.830 1.00 15.00 H new ATOM 0 HG22 THR A 28 -1.907 -13.160 14.501 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.200 -14.702 13.965 1.00 15.00 H new ATOM 403 N SER A 29 -2.515 -10.864 12.031 1.00 15.00 N ATOM 404 CA SER A 29 -3.506 -9.828 12.301 1.00 15.00 C ATOM 405 C SER A 29 -4.393 -9.584 11.084 1.00 15.00 C ATOM 406 O SER A 29 -5.609 -9.440 11.209 1.00 15.00 O ATOM 407 CB SER A 29 -2.813 -8.526 12.708 1.00 15.00 C ATOM 408 OG SER A 29 -2.003 -8.028 11.656 1.00 15.00 O ATOM 0 H SER A 29 -1.573 -10.512 11.860 1.00 15.00 H new ATOM 0 HA SER A 29 -4.136 -10.172 13.121 1.00 15.00 H new ATOM 0 HB2 SER A 29 -3.562 -7.781 12.978 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.200 -8.698 13.593 1.00 15.00 H new ATOM 0 HG SER A 29 -1.573 -7.195 11.941 1.00 15.00 H new ATOM 414 N VAL A 30 -3.777 -9.536 9.907 1.00 15.00 N ATOM 415 CA VAL A 30 -4.512 -9.306 8.669 1.00 15.00 C ATOM 416 C VAL A 30 -5.305 -10.543 8.258 1.00 15.00 C ATOM 417 O VAL A 30 -5.332 -11.542 8.976 1.00 15.00 O ATOM 418 CB VAL A 30 -3.566 -8.910 7.520 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.851 -7.607 7.843 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.565 -10.021 7.241 1.00 15.00 C ATOM 0 H VAL A 30 -2.771 -9.653 9.785 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.203 -8.485 8.861 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.162 -8.758 6.620 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.187 -7.343 7.020 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.586 -6.814 7.985 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.267 -7.729 8.755 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.906 -9.721 6.426 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.972 -10.210 8.136 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.098 -10.929 6.961 1.00 15.00 H new ATOM 430 N ARG A 31 -5.950 -10.466 7.098 1.00 15.00 N ATOM 431 CA ARG A 31 -6.746 -11.577 6.588 1.00 15.00 C ATOM 432 C ARG A 31 -5.909 -12.848 6.481 1.00 15.00 C ATOM 433 O ARG A 31 -6.220 -13.862 7.105 1.00 15.00 O ATOM 434 CB ARG A 31 -7.337 -11.221 5.222 1.00 15.00 C ATOM 435 CG ARG A 31 -8.849 -11.068 5.233 1.00 15.00 C ATOM 436 CD ARG A 31 -9.548 -12.418 5.192 1.00 15.00 C ATOM 437 NE ARG A 31 -10.497 -12.577 6.291 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.716 -12.042 6.300 1.00 15.00 C ATOM 439 NH1 ARG A 31 -12.136 -11.317 5.271 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.517 -12.234 7.339 1.00 15.00 N ATOM 0 H ARG A 31 -5.937 -9.645 6.493 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.558 -11.762 7.291 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.889 -10.291 4.873 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.064 -11.995 4.505 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.154 -10.527 6.128 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.161 -10.470 4.377 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.072 -12.526 4.242 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -8.804 -13.213 5.238 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.209 -13.130 7.098 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.524 -11.168 4.469 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -13.071 -10.909 5.282 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.199 -12.792 8.132 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -13.451 -11.824 7.346 1.00 15.00 H new ATOM 454 N HIS A 32 -4.847 -12.789 5.682 1.00 15.00 N ATOM 455 CA HIS A 32 -3.971 -13.939 5.494 1.00 15.00 C ATOM 456 C HIS A 32 -2.514 -13.505 5.358 1.00 15.00 C ATOM 457 O HIS A 32 -1.629 -14.067 5.999 1.00 15.00 O ATOM 458 CB HIS A 32 -4.396 -14.732 4.257 1.00 15.00 C ATOM 459 CG HIS A 32 -5.474 -15.735 4.531 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.715 -15.689 3.931 1.00 15.00 N ATOM 461 CD2 HIS A 32 -5.492 -16.816 5.347 1.00 15.00 C ATOM 462 CE1 HIS A 32 -7.450 -16.697 4.367 1.00 15.00 C ATOM 463 NE2 HIS A 32 -6.731 -17.395 5.225 1.00 15.00 N ATOM 0 H HIS A 32 -4.574 -11.959 5.156 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.058 -14.575 6.375 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.743 -14.038 3.492 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -3.526 -15.247 3.849 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -4.683 -17.158 5.976 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -8.466 -16.913 4.071 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -7.045 -18.231 5.718 1.00 15.00 H new ATOM 472 N GLY A 33 -2.272 -12.508 4.512 1.00 15.00 N ATOM 473 CA GLY A 33 -0.918 -12.024 4.305 1.00 15.00 C ATOM 474 C GLY A 33 -0.868 -10.731 3.510 1.00 15.00 C ATOM 475 O GLY A 33 0.159 -10.401 2.918 1.00 15.00 O ATOM 0 H GLY A 33 -2.988 -12.027 3.967 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.441 -11.868 5.273 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.340 -12.788 3.784 1.00 15.00 H new ATOM 479 N GLY A 34 -1.970 -9.986 3.512 1.00 15.00 N ATOM 480 CA GLY A 34 -2.006 -8.722 2.801 1.00 15.00 C ATOM 481 C GLY A 34 -1.510 -7.597 3.681 1.00 15.00 C ATOM 482 O GLY A 34 -1.579 -7.699 4.906 1.00 15.00 O ATOM 0 H GLY A 34 -2.835 -10.235 3.992 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.390 -8.787 1.904 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.024 -8.512 2.474 1.00 15.00 H new ATOM 486 N ILE A 35 -0.995 -6.528 3.083 1.00 15.00 N ATOM 487 CA ILE A 35 -0.487 -5.422 3.884 1.00 15.00 C ATOM 488 C ILE A 35 -1.548 -4.360 4.122 1.00 15.00 C ATOM 489 O ILE A 35 -2.457 -4.167 3.315 1.00 15.00 O ATOM 490 CB ILE A 35 0.775 -4.778 3.260 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.932 -4.808 4.273 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.501 -3.355 2.777 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.682 -3.498 4.415 1.00 15.00 C ATOM 0 H ILE A 35 -0.919 -6.405 2.073 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.207 -5.852 4.846 1.00 15.00 H new ATOM 0 HB ILE A 35 1.060 -5.361 2.384 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.536 -5.092 5.248 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.637 -5.585 3.976 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.410 -2.936 2.345 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.285 -3.372 2.022 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.182 -2.740 3.619 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.479 -3.613 5.149 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.112 -3.219 3.453 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.995 -2.719 4.745 1.00 15.00 H new ATOM 505 N TYR A 36 -1.401 -3.669 5.239 1.00 15.00 N ATOM 506 CA TYR A 36 -2.317 -2.605 5.617 1.00 15.00 C ATOM 507 C TYR A 36 -1.538 -1.421 6.157 1.00 15.00 C ATOM 508 O TYR A 36 -1.002 -1.468 7.264 1.00 15.00 O ATOM 509 CB TYR A 36 -3.315 -3.099 6.663 1.00 15.00 C ATOM 510 CG TYR A 36 -4.280 -4.125 6.125 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.878 -5.436 5.916 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.590 -3.781 5.820 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.753 -6.378 5.418 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.474 -4.718 5.323 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.051 -6.016 5.123 1.00 15.00 C ATOM 516 OH TYR A 36 -6.928 -6.953 4.627 1.00 15.00 O ATOM 0 H TYR A 36 -0.647 -3.828 5.907 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.873 -2.294 4.732 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.769 -3.529 7.503 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.877 -2.249 7.050 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.863 -5.724 6.147 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.923 -2.765 5.974 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.424 -7.394 5.260 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.491 -4.437 5.092 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.801 -6.535 4.473 1.00 15.00 H new ATOM 526 N VAL A 37 -1.462 -0.366 5.362 1.00 15.00 N ATOM 527 CA VAL A 37 -0.724 0.824 5.763 1.00 15.00 C ATOM 528 C VAL A 37 -1.257 1.385 7.076 1.00 15.00 C ATOM 529 O VAL A 37 -2.452 1.330 7.349 1.00 15.00 O ATOM 530 CB VAL A 37 -0.738 1.928 4.665 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.973 1.343 3.291 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.759 3.016 4.937 1.00 15.00 C ATOM 0 H VAL A 37 -1.898 -0.307 4.442 1.00 15.00 H new ATOM 0 HA VAL A 37 0.311 0.513 5.905 1.00 15.00 H new ATOM 0 HB VAL A 37 0.251 2.385 4.694 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.976 2.143 2.551 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.178 0.635 3.056 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.934 0.829 3.274 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.723 3.757 4.138 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.756 2.577 4.980 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.533 3.497 5.889 1.00 15.00 H new ATOM 542 N LYS A 38 -0.364 1.943 7.878 1.00 15.00 N ATOM 543 CA LYS A 38 -0.759 2.534 9.145 1.00 15.00 C ATOM 544 C LYS A 38 -1.325 3.925 8.887 1.00 15.00 C ATOM 545 O LYS A 38 -2.406 4.266 9.365 1.00 15.00 O ATOM 546 CB LYS A 38 0.431 2.572 10.115 1.00 15.00 C ATOM 547 CG LYS A 38 0.632 3.892 10.852 1.00 15.00 C ATOM 548 CD LYS A 38 1.196 3.670 12.248 1.00 15.00 C ATOM 549 CE LYS A 38 2.284 2.608 12.254 1.00 15.00 C ATOM 550 NZ LYS A 38 3.328 2.884 13.280 1.00 15.00 N ATOM 0 H LYS A 38 0.634 1.999 7.675 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.532 1.926 9.614 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.302 1.780 10.852 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.340 2.344 9.558 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.308 4.529 10.282 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.319 4.419 10.922 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.601 4.607 12.630 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.393 3.371 12.922 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.837 1.632 12.445 1.00 15.00 H new ATOM 0 HE3 LYS A 38 2.748 2.559 11.269 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 4.050 2.136 13.250 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 3.773 3.803 13.084 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 2.891 2.905 14.223 1.00 15.00 H new ATOM 564 N ALA A 39 -0.590 4.717 8.109 1.00 15.00 N ATOM 565 CA ALA A 39 -1.023 6.063 7.759 1.00 15.00 C ATOM 566 C ALA A 39 -0.100 6.671 6.711 1.00 15.00 C ATOM 567 O ALA A 39 0.939 6.099 6.392 1.00 15.00 O ATOM 568 CB ALA A 39 -1.092 6.939 8.996 1.00 15.00 C ATOM 0 H ALA A 39 0.309 4.447 7.710 1.00 15.00 H new ATOM 0 HA ALA A 39 -2.023 6.002 7.330 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.417 7.941 8.715 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.802 6.513 9.705 1.00 15.00 H new ATOM 0 HB3 ALA A 39 -0.106 6.994 9.458 1.00 15.00 H new ATOM 574 N VAL A 40 -0.473 7.839 6.194 1.00 15.00 N ATOM 575 CA VAL A 40 0.338 8.527 5.188 1.00 15.00 C ATOM 576 C VAL A 40 1.212 9.578 5.861 1.00 15.00 C ATOM 577 O VAL A 40 0.709 10.550 6.424 1.00 15.00 O ATOM 578 CB VAL A 40 -0.525 9.209 4.097 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.418 8.459 2.779 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.978 9.315 4.530 1.00 15.00 C ATOM 0 H VAL A 40 -1.329 8.329 6.453 1.00 15.00 H new ATOM 0 HA VAL A 40 0.954 7.771 4.701 1.00 15.00 H new ATOM 0 HB VAL A 40 -0.141 10.219 3.954 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.032 8.955 2.027 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.621 8.448 2.450 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.766 7.435 2.914 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.558 9.798 3.743 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.376 8.317 4.714 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -2.043 9.906 5.444 1.00 15.00 H new ATOM 590 N ILE A 41 2.521 9.353 5.838 1.00 15.00 N ATOM 591 CA ILE A 41 3.460 10.257 6.488 1.00 15.00 C ATOM 592 C ILE A 41 3.738 11.519 5.671 1.00 15.00 C ATOM 593 O ILE A 41 4.256 11.450 4.555 1.00 15.00 O ATOM 594 CB ILE A 41 4.782 9.526 6.846 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.566 8.518 7.988 1.00 15.00 C ATOM 596 CG2 ILE A 41 5.871 10.515 7.232 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.150 7.988 8.102 1.00 15.00 C ATOM 0 H ILE A 41 2.955 8.553 5.377 1.00 15.00 H new ATOM 0 HA ILE A 41 2.982 10.584 7.411 1.00 15.00 H new ATOM 0 HB ILE A 41 5.103 8.984 5.956 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.245 7.677 7.846 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.839 8.992 8.930 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.784 9.973 7.477 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.062 11.190 6.397 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.548 11.092 8.098 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.090 7.285 8.933 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.464 8.817 8.278 1.00 15.00 H new ATOM 0 HD13 ILE A 41 2.876 7.481 7.177 1.00 15.00 H new ATOM 609 N PRO A 42 3.397 12.698 6.247 1.00 15.00 N ATOM 610 CA PRO A 42 3.599 14.003 5.601 1.00 15.00 C ATOM 611 C PRO A 42 5.073 14.337 5.384 1.00 15.00 C ATOM 612 O PRO A 42 5.576 15.332 5.908 1.00 15.00 O ATOM 613 CB PRO A 42 2.970 14.997 6.584 1.00 15.00 C ATOM 614 CG PRO A 42 2.987 14.299 7.896 1.00 15.00 C ATOM 615 CD PRO A 42 2.789 12.846 7.585 1.00 15.00 C ATOM 0 HA PRO A 42 3.156 14.025 4.605 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.538 15.927 6.624 1.00 15.00 H new ATOM 0 HB3 PRO A 42 1.954 15.257 6.288 1.00 15.00 H new ATOM 0 HG2 PRO A 42 3.932 14.463 8.415 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.197 14.671 8.548 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.277 12.207 8.321 1.00 15.00 H new ATOM 0 HD3 PRO A 42 1.733 12.576 7.579 1.00 15.00 H new ATOM 623 N GLN A 43 5.765 13.505 4.613 1.00 15.00 N ATOM 624 CA GLN A 43 7.176 13.726 4.338 1.00 15.00 C ATOM 625 C GLN A 43 7.571 13.184 2.964 1.00 15.00 C ATOM 626 O GLN A 43 8.269 13.855 2.204 1.00 15.00 O ATOM 627 CB GLN A 43 8.028 13.067 5.426 1.00 15.00 C ATOM 628 CG GLN A 43 9.515 13.055 5.113 1.00 15.00 C ATOM 629 CD GLN A 43 10.358 12.633 6.300 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.098 13.032 7.435 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.378 11.822 6.043 1.00 15.00 N ATOM 0 H GLN A 43 5.372 12.675 4.170 1.00 15.00 H new ATOM 0 HA GLN A 43 7.354 14.801 4.337 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.868 13.592 6.368 1.00 15.00 H new ATOM 0 HB3 GLN A 43 7.688 12.042 5.570 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.702 12.377 4.280 1.00 15.00 H new ATOM 0 HG3 GLN A 43 9.822 14.049 4.789 1.00 15.00 H new ATOM 0 HE21 GLN A 43 11.557 11.515 5.087 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.982 11.506 6.802 1.00 15.00 H new ATOM 640 N GLY A 44 7.140 11.964 2.657 1.00 15.00 N ATOM 641 CA GLY A 44 7.487 11.360 1.380 1.00 15.00 C ATOM 642 C GLY A 44 6.521 11.693 0.256 1.00 15.00 C ATOM 643 O GLY A 44 5.425 12.203 0.487 1.00 15.00 O ATOM 0 H GLY A 44 6.560 11.385 3.264 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.487 11.687 1.095 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.528 10.278 1.501 1.00 15.00 H new ATOM 647 N ALA A 45 6.946 11.390 -0.967 1.00 15.00 N ATOM 648 CA ALA A 45 6.152 11.646 -2.169 1.00 15.00 C ATOM 649 C ALA A 45 4.764 11.009 -2.112 1.00 15.00 C ATOM 650 O ALA A 45 3.890 11.353 -2.907 1.00 15.00 O ATOM 651 CB ALA A 45 6.896 11.143 -3.394 1.00 15.00 C ATOM 0 H ALA A 45 7.851 10.959 -1.155 1.00 15.00 H new ATOM 0 HA ALA A 45 6.007 12.725 -2.230 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.300 11.336 -4.286 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.852 11.660 -3.477 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.070 10.071 -3.299 1.00 15.00 H new ATOM 657 N ALA A 46 4.560 10.078 -1.188 1.00 15.00 N ATOM 658 CA ALA A 46 3.271 9.408 -1.069 1.00 15.00 C ATOM 659 C ALA A 46 2.219 10.345 -0.494 1.00 15.00 C ATOM 660 O ALA A 46 1.182 10.587 -1.120 1.00 15.00 O ATOM 661 CB ALA A 46 3.398 8.168 -0.202 1.00 15.00 C ATOM 0 H ALA A 46 5.263 9.772 -0.516 1.00 15.00 H new ATOM 0 HA ALA A 46 2.952 9.110 -2.068 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.427 7.679 -0.123 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.115 7.481 -0.652 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.743 8.453 0.792 1.00 15.00 H new ATOM 667 N GLU A 47 2.496 10.875 0.695 1.00 15.00 N ATOM 668 CA GLU A 47 1.579 11.800 1.352 1.00 15.00 C ATOM 669 C GLU A 47 1.299 13.003 0.450 1.00 15.00 C ATOM 670 O GLU A 47 0.160 13.454 0.331 1.00 15.00 O ATOM 671 CB GLU A 47 2.160 12.280 2.692 1.00 15.00 C ATOM 672 CG GLU A 47 3.348 13.209 2.512 1.00 15.00 C ATOM 673 CD GLU A 47 2.935 14.656 2.315 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.828 15.024 2.763 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.719 15.420 1.714 1.00 15.00 O ATOM 0 H GLU A 47 3.347 10.679 1.222 1.00 15.00 H new ATOM 0 HA GLU A 47 0.644 11.273 1.543 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.383 12.794 3.258 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.465 11.416 3.282 1.00 15.00 H new ATOM 0 HG2 GLU A 47 3.997 13.136 3.385 1.00 15.00 H new ATOM 0 HG3 GLU A 47 3.933 12.882 1.652 1.00 15.00 H new ATOM 682 N SER A 48 2.358 13.520 -0.178 1.00 15.00 N ATOM 683 CA SER A 48 2.243 14.674 -1.064 1.00 15.00 C ATOM 684 C SER A 48 1.190 14.423 -2.131 1.00 15.00 C ATOM 685 O SER A 48 0.110 15.013 -2.102 1.00 15.00 O ATOM 686 CB SER A 48 3.591 14.980 -1.719 1.00 15.00 C ATOM 687 OG SER A 48 3.847 16.374 -1.735 1.00 15.00 O ATOM 0 H SER A 48 3.306 13.154 -0.087 1.00 15.00 H new ATOM 0 HA SER A 48 1.939 15.535 -0.468 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.386 14.467 -1.178 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.599 14.594 -2.738 1.00 15.00 H new ATOM 0 HG SER A 48 4.715 16.542 -2.157 1.00 15.00 H new ATOM 693 N ASP A 49 1.499 13.528 -3.061 1.00 15.00 N ATOM 694 CA ASP A 49 0.560 13.188 -4.118 1.00 15.00 C ATOM 695 C ASP A 49 -0.731 12.673 -3.499 1.00 15.00 C ATOM 696 O ASP A 49 -1.829 12.988 -3.959 1.00 15.00 O ATOM 697 CB ASP A 49 1.158 12.128 -5.044 1.00 15.00 C ATOM 698 CG ASP A 49 0.393 12.001 -6.347 1.00 15.00 C ATOM 699 OD1 ASP A 49 -0.853 11.927 -6.300 1.00 15.00 O ATOM 700 OD2 ASP A 49 1.040 11.975 -7.415 1.00 15.00 O ATOM 0 H ASP A 49 2.387 13.028 -3.104 1.00 15.00 H new ATOM 0 HA ASP A 49 0.350 14.080 -4.708 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.196 12.381 -5.259 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.163 11.165 -4.534 1.00 15.00 H new ATOM 705 N GLY A 50 -0.580 11.881 -2.443 1.00 15.00 N ATOM 706 CA GLY A 50 -1.726 11.328 -1.755 1.00 15.00 C ATOM 707 C GLY A 50 -2.272 10.112 -2.471 1.00 15.00 C ATOM 708 O GLY A 50 -3.482 9.889 -2.498 1.00 15.00 O ATOM 0 H GLY A 50 0.323 11.612 -2.051 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.444 11.056 -0.738 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.505 12.086 -1.678 1.00 15.00 H new ATOM 712 N ARG A 51 -1.376 9.331 -3.063 1.00 15.00 N ATOM 713 CA ARG A 51 -1.777 8.134 -3.797 1.00 15.00 C ATOM 714 C ARG A 51 -2.052 6.987 -2.837 1.00 15.00 C ATOM 715 O ARG A 51 -3.068 6.300 -2.943 1.00 15.00 O ATOM 716 CB ARG A 51 -0.690 7.730 -4.795 1.00 15.00 C ATOM 717 CG ARG A 51 -0.718 8.534 -6.085 1.00 15.00 C ATOM 718 CD ARG A 51 -1.750 7.991 -7.060 1.00 15.00 C ATOM 719 NE ARG A 51 -2.665 9.032 -7.522 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.394 8.940 -8.631 1.00 15.00 C ATOM 721 NH1 ARG A 51 -3.320 7.857 -9.394 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.200 9.934 -8.979 1.00 15.00 N ATOM 0 H ARG A 51 -0.371 9.503 -3.050 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.692 8.360 -4.345 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.286 7.849 -4.324 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.803 6.672 -5.033 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.942 9.577 -5.860 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.268 8.513 -6.549 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.242 7.548 -7.917 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.319 7.195 -6.580 1.00 15.00 H new ATOM 0 HE ARG A 51 -2.750 9.880 -6.961 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -2.702 7.089 -9.131 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -3.881 7.792 -10.243 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.261 10.769 -8.396 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.759 9.864 -9.829 1.00 15.00 H new ATOM 736 N ILE A 52 -1.143 6.797 -1.895 1.00 15.00 N ATOM 737 CA ILE A 52 -1.274 5.752 -0.900 1.00 15.00 C ATOM 738 C ILE A 52 -2.216 6.219 0.216 1.00 15.00 C ATOM 739 O ILE A 52 -2.317 7.417 0.479 1.00 15.00 O ATOM 740 CB ILE A 52 0.119 5.388 -0.342 1.00 15.00 C ATOM 741 CG1 ILE A 52 0.129 3.961 0.187 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.554 6.371 0.733 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.072 2.918 -0.888 1.00 15.00 C ATOM 0 H ILE A 52 -0.298 7.361 -1.801 1.00 15.00 H new ATOM 0 HA ILE A 52 -1.702 4.859 -1.355 1.00 15.00 H new ATOM 0 HB ILE A 52 0.837 5.453 -1.159 1.00 15.00 H new ATOM 0 HG12 ILE A 52 1.078 3.775 0.690 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -0.655 3.854 0.937 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.538 6.089 1.107 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.600 7.375 0.311 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.164 6.355 1.553 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -0.054 1.925 -0.439 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -1.034 3.078 -1.375 1.00 15.00 H new ATOM 0 HD13 ILE A 52 0.726 2.998 -1.626 1.00 15.00 H new ATOM 755 N HIS A 53 -2.929 5.288 0.848 1.00 15.00 N ATOM 756 CA HIS A 53 -3.878 5.660 1.899 1.00 15.00 C ATOM 757 C HIS A 53 -3.865 4.707 3.078 1.00 15.00 C ATOM 758 O HIS A 53 -3.453 3.554 2.973 1.00 15.00 O ATOM 759 CB HIS A 53 -5.292 5.757 1.325 1.00 15.00 C ATOM 760 CG HIS A 53 -5.460 6.864 0.331 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.167 6.722 -1.009 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.893 8.137 0.487 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.413 7.860 -1.634 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.855 8.734 -0.749 1.00 15.00 N ATOM 0 H HIS A 53 -2.871 4.288 0.657 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.560 6.633 2.274 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.548 4.810 0.849 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.998 5.904 2.143 1.00 15.00 H new ATOM 0 HD1 HIS A 53 -4.815 5.872 -1.449 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.209 8.597 1.411 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.276 8.044 -2.689 1.00 15.00 H new ATOM 773 N LYS A 54 -4.317 5.244 4.206 1.00 15.00 N ATOM 774 CA LYS A 54 -4.376 4.529 5.469 1.00 15.00 C ATOM 775 C LYS A 54 -4.948 3.115 5.329 1.00 15.00 C ATOM 776 O LYS A 54 -5.985 2.910 4.699 1.00 15.00 O ATOM 777 CB LYS A 54 -5.216 5.324 6.471 1.00 15.00 C ATOM 778 CG LYS A 54 -4.525 5.541 7.806 1.00 15.00 C ATOM 779 CD LYS A 54 -5.394 5.086 8.967 1.00 15.00 C ATOM 780 CE LYS A 54 -5.401 3.572 9.098 1.00 15.00 C ATOM 781 NZ LYS A 54 -6.241 3.117 10.241 1.00 15.00 N ATOM 0 H LYS A 54 -4.657 6.204 4.266 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.351 4.426 5.825 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.463 6.293 6.037 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.157 4.801 6.639 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.582 4.995 7.821 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.284 6.597 7.924 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -5.028 5.531 9.893 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.413 5.444 8.822 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.774 3.129 8.174 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -4.380 3.215 9.233 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -6.219 2.079 10.296 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.870 3.518 11.126 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -7.221 3.436 10.100 1.00 15.00 H new ATOM 795 N GLY A 55 -4.265 2.149 5.947 1.00 15.00 N ATOM 796 CA GLY A 55 -4.709 0.767 5.915 1.00 15.00 C ATOM 797 C GLY A 55 -5.050 0.268 4.529 1.00 15.00 C ATOM 798 O GLY A 55 -5.867 -0.642 4.389 1.00 15.00 O ATOM 0 H GLY A 55 -3.405 2.305 6.473 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.928 0.134 6.337 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.585 0.662 6.555 1.00 15.00 H new ATOM 802 N ASP A 56 -4.435 0.837 3.495 1.00 15.00 N ATOM 803 CA ASP A 56 -4.729 0.376 2.142 1.00 15.00 C ATOM 804 C ASP A 56 -4.239 -1.054 1.959 1.00 15.00 C ATOM 805 O ASP A 56 -3.114 -1.387 2.338 1.00 15.00 O ATOM 806 CB ASP A 56 -4.143 1.308 1.068 1.00 15.00 C ATOM 807 CG ASP A 56 -2.656 1.131 0.845 1.00 15.00 C ATOM 808 OD1 ASP A 56 -2.226 -0.003 0.559 1.00 15.00 O ATOM 809 OD2 ASP A 56 -1.924 2.135 0.939 1.00 15.00 O ATOM 0 H ASP A 56 -3.753 1.592 3.562 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.811 0.397 2.012 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -4.665 1.134 0.127 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -4.337 2.342 1.354 1.00 15.00 H new ATOM 814 N ARG A 57 -5.092 -1.898 1.387 1.00 15.00 N ATOM 815 CA ARG A 57 -4.745 -3.293 1.159 1.00 15.00 C ATOM 816 C ARG A 57 -3.895 -3.431 -0.097 1.00 15.00 C ATOM 817 O ARG A 57 -4.419 -3.471 -1.210 1.00 15.00 O ATOM 818 CB ARG A 57 -6.012 -4.142 1.033 1.00 15.00 C ATOM 819 CG ARG A 57 -6.062 -5.299 2.014 1.00 15.00 C ATOM 820 CD ARG A 57 -5.191 -6.458 1.557 1.00 15.00 C ATOM 821 NE ARG A 57 -5.803 -7.752 1.848 1.00 15.00 N ATOM 822 CZ ARG A 57 -6.883 -8.217 1.225 1.00 15.00 C ATOM 823 NH1 ARG A 57 -7.471 -7.498 0.277 1.00 15.00 N ATOM 824 NH2 ARG A 57 -7.376 -9.404 1.550 1.00 15.00 N ATOM 0 H ARG A 57 -6.027 -1.639 1.074 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.167 -3.649 2.012 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.884 -3.506 1.188 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.079 -4.533 0.018 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.731 -4.959 2.995 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -7.092 -5.639 2.125 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -5.011 -6.375 0.485 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -4.220 -6.398 2.049 1.00 15.00 H new ATOM 0 HE ARG A 57 -5.378 -8.333 2.571 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -7.095 -6.584 0.023 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -8.299 -7.859 -0.197 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -6.927 -9.961 2.278 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.204 -9.761 1.073 1.00 15.00 H new ATOM 838 N VAL A 58 -2.582 -3.502 0.087 1.00 15.00 N ATOM 839 CA VAL A 58 -1.668 -3.634 -1.038 1.00 15.00 C ATOM 840 C VAL A 58 -1.573 -5.096 -1.479 1.00 15.00 C ATOM 841 O VAL A 58 -1.081 -5.953 -0.737 1.00 15.00 O ATOM 842 CB VAL A 58 -0.255 -3.074 -0.711 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.340 -1.843 0.183 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.624 -4.132 -0.062 1.00 15.00 C ATOM 0 H VAL A 58 -2.129 -3.470 1.000 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.072 -3.039 -1.857 1.00 15.00 H new ATOM 0 HB VAL A 58 0.201 -2.782 -1.657 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.665 -1.476 0.393 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -0.912 -1.065 -0.322 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -0.833 -2.106 1.119 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.605 -3.708 0.154 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.162 -4.469 0.866 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.736 -4.978 -0.740 1.00 15.00 H new ATOM 854 N LEU A 59 -2.078 -5.374 -2.681 1.00 15.00 N ATOM 855 CA LEU A 59 -2.073 -6.733 -3.219 1.00 15.00 C ATOM 856 C LEU A 59 -1.050 -6.911 -4.343 1.00 15.00 C ATOM 857 O LEU A 59 -0.652 -8.035 -4.649 1.00 15.00 O ATOM 858 CB LEU A 59 -3.465 -7.105 -3.731 1.00 15.00 C ATOM 859 CG LEU A 59 -4.510 -7.358 -2.643 1.00 15.00 C ATOM 860 CD1 LEU A 59 -3.987 -8.358 -1.624 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.896 -6.053 -1.963 1.00 15.00 C ATOM 0 H LEU A 59 -2.495 -4.678 -3.299 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.788 -7.397 -2.403 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -3.823 -6.304 -4.378 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.381 -8.000 -4.348 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.400 -7.779 -3.110 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -4.744 -8.526 -0.858 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -3.760 -9.300 -2.122 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.082 -7.966 -1.161 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.640 -6.251 -1.192 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.013 -5.604 -1.508 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.312 -5.367 -2.701 1.00 15.00 H new ATOM 873 N ALA A 60 -0.648 -5.812 -4.976 1.00 15.00 N ATOM 874 CA ALA A 60 0.303 -5.883 -6.084 1.00 15.00 C ATOM 875 C ALA A 60 1.209 -4.657 -6.151 1.00 15.00 C ATOM 876 O ALA A 60 0.818 -3.553 -5.774 1.00 15.00 O ATOM 877 CB ALA A 60 -0.448 -6.044 -7.397 1.00 15.00 C ATOM 0 H ALA A 60 -0.962 -4.870 -4.744 1.00 15.00 H new ATOM 0 HA ALA A 60 0.942 -6.749 -5.911 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.265 -6.096 -8.220 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.038 -6.960 -7.369 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.110 -5.191 -7.544 1.00 15.00 H new ATOM 883 N VAL A 61 2.418 -4.872 -6.661 1.00 15.00 N ATOM 884 CA VAL A 61 3.405 -3.809 -6.823 1.00 15.00 C ATOM 885 C VAL A 61 4.106 -3.984 -8.158 1.00 15.00 C ATOM 886 O VAL A 61 4.957 -4.860 -8.312 1.00 15.00 O ATOM 887 CB VAL A 61 4.458 -3.816 -5.696 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.452 -2.678 -5.883 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.791 -3.729 -4.334 1.00 15.00 C ATOM 0 H VAL A 61 2.741 -5.788 -6.974 1.00 15.00 H new ATOM 0 HA VAL A 61 2.879 -2.856 -6.781 1.00 15.00 H new ATOM 0 HB VAL A 61 5.004 -4.758 -5.746 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.186 -2.700 -5.078 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.960 -2.792 -6.841 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.922 -1.726 -5.865 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.553 -3.736 -3.555 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.214 -2.806 -4.270 1.00 15.00 H new ATOM 0 HG23 VAL A 61 3.127 -4.583 -4.199 1.00 15.00 H new ATOM 899 N ASN A 62 3.716 -3.175 -9.135 1.00 15.00 N ATOM 900 CA ASN A 62 4.282 -3.276 -10.471 1.00 15.00 C ATOM 901 C ASN A 62 3.901 -4.620 -11.092 1.00 15.00 C ATOM 902 O ASN A 62 4.485 -5.046 -12.089 1.00 15.00 O ATOM 903 CB ASN A 62 5.805 -3.118 -10.429 1.00 15.00 C ATOM 904 CG ASN A 62 6.236 -1.665 -10.474 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.070 -1.278 -11.293 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.670 -0.851 -9.589 1.00 15.00 N ATOM 0 H ASN A 62 3.012 -2.445 -9.027 1.00 15.00 H new ATOM 0 HA ASN A 62 3.877 -2.472 -11.085 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.191 -3.581 -9.521 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.246 -3.652 -11.271 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.922 0.137 -9.571 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.983 -1.214 -8.928 1.00 15.00 H new ATOM 913 N GLY A 63 2.906 -5.277 -10.490 1.00 15.00 N ATOM 914 CA GLY A 63 2.442 -6.560 -10.983 1.00 15.00 C ATOM 915 C GLY A 63 2.883 -7.730 -10.123 1.00 15.00 C ATOM 916 O GLY A 63 2.654 -8.885 -10.482 1.00 15.00 O ATOM 0 H GLY A 63 2.413 -4.937 -9.664 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.353 -6.548 -11.037 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.810 -6.706 -11.999 1.00 15.00 H new ATOM 920 N VAL A 64 3.506 -7.443 -8.983 1.00 15.00 N ATOM 921 CA VAL A 64 3.955 -8.500 -8.085 1.00 15.00 C ATOM 922 C VAL A 64 2.902 -8.789 -7.016 1.00 15.00 C ATOM 923 O VAL A 64 2.714 -8.011 -6.082 1.00 15.00 O ATOM 924 CB VAL A 64 5.306 -8.151 -7.416 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.133 -7.108 -6.324 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.965 -9.405 -6.864 1.00 15.00 C ATOM 0 H VAL A 64 3.709 -6.496 -8.662 1.00 15.00 H new ATOM 0 HA VAL A 64 4.101 -9.394 -8.691 1.00 15.00 H new ATOM 0 HB VAL A 64 5.956 -7.723 -8.179 1.00 15.00 H new ATOM 0 HG11 VAL A 64 6.102 -6.887 -5.876 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.715 -6.197 -6.753 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.458 -7.491 -5.559 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.914 -9.142 -6.397 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.311 -9.864 -6.123 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.143 -10.110 -7.676 1.00 15.00 H new ATOM 936 N SER A 65 2.210 -9.912 -7.165 1.00 15.00 N ATOM 937 CA SER A 65 1.173 -10.297 -6.214 1.00 15.00 C ATOM 938 C SER A 65 1.749 -10.425 -4.812 1.00 15.00 C ATOM 939 O SER A 65 2.594 -11.280 -4.548 1.00 15.00 O ATOM 940 CB SER A 65 0.522 -11.616 -6.638 1.00 15.00 C ATOM 941 OG SER A 65 -0.882 -11.577 -6.449 1.00 15.00 O ATOM 0 H SER A 65 2.347 -10.570 -7.932 1.00 15.00 H new ATOM 0 HA SER A 65 0.412 -9.516 -6.206 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.745 -11.815 -7.686 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.947 -12.437 -6.060 1.00 15.00 H new ATOM 0 HG SER A 65 -1.274 -12.431 -6.729 1.00 15.00 H new ATOM 947 N LEU A 66 1.286 -9.562 -3.919 1.00 15.00 N ATOM 948 CA LEU A 66 1.752 -9.561 -2.541 1.00 15.00 C ATOM 949 C LEU A 66 0.907 -10.486 -1.668 1.00 15.00 C ATOM 950 O LEU A 66 1.314 -10.852 -0.566 1.00 15.00 O ATOM 951 CB LEU A 66 1.722 -8.139 -1.986 1.00 15.00 C ATOM 952 CG LEU A 66 3.079 -7.437 -1.942 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.898 -5.936 -1.792 1.00 15.00 C ATOM 954 CD2 LEU A 66 3.927 -7.992 -0.807 1.00 15.00 C ATOM 0 H LEU A 66 0.585 -8.851 -4.126 1.00 15.00 H new ATOM 0 HA LEU A 66 2.776 -9.934 -2.527 1.00 15.00 H new ATOM 0 HB2 LEU A 66 1.040 -7.542 -2.592 1.00 15.00 H new ATOM 0 HB3 LEU A 66 1.311 -8.167 -0.977 1.00 15.00 H new ATOM 0 HG LEU A 66 3.597 -7.626 -2.882 1.00 15.00 H new ATOM 0 HD11 LEU A 66 3.875 -5.453 -1.762 1.00 15.00 H new ATOM 0 HD12 LEU A 66 2.329 -5.552 -2.638 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.361 -5.725 -0.867 1.00 15.00 H new ATOM 0 HD21 LEU A 66 4.890 -7.482 -0.789 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.414 -7.833 0.142 1.00 15.00 H new ATOM 0 HD23 LEU A 66 4.085 -9.060 -0.959 1.00 15.00 H new ATOM 966 N GLU A 67 -0.271 -10.862 -2.165 1.00 15.00 N ATOM 967 CA GLU A 67 -1.167 -11.747 -1.424 1.00 15.00 C ATOM 968 C GLU A 67 -0.404 -12.931 -0.836 1.00 15.00 C ATOM 969 O GLU A 67 -0.019 -13.854 -1.554 1.00 15.00 O ATOM 970 CB GLU A 67 -2.290 -12.249 -2.335 1.00 15.00 C ATOM 971 CG GLU A 67 -3.653 -12.276 -1.663 1.00 15.00 C ATOM 972 CD GLU A 67 -4.756 -12.730 -2.599 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.535 -12.715 -3.828 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.841 -13.100 -2.102 1.00 15.00 O ATOM 0 H GLU A 67 -0.626 -10.568 -3.075 1.00 15.00 H new ATOM 0 HA GLU A 67 -1.601 -11.177 -0.603 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.342 -11.612 -3.218 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.045 -13.253 -2.680 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.616 -12.942 -0.801 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.888 -11.280 -1.286 1.00 15.00 H new ATOM 981 N GLY A 68 -0.184 -12.893 0.474 1.00 15.00 N ATOM 982 CA GLY A 68 0.537 -13.963 1.138 1.00 15.00 C ATOM 983 C GLY A 68 1.920 -13.535 1.591 1.00 15.00 C ATOM 984 O GLY A 68 2.928 -14.030 1.086 1.00 15.00 O ATOM 0 H GLY A 68 -0.493 -12.139 1.088 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.036 -14.303 2.001 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.626 -14.812 0.460 1.00 15.00 H new ATOM 988 N ALA A 69 1.966 -12.611 2.546 1.00 15.00 N ATOM 989 CA ALA A 69 3.229 -12.111 3.072 1.00 15.00 C ATOM 990 C ALA A 69 2.994 -11.195 4.270 1.00 15.00 C ATOM 991 O ALA A 69 1.855 -10.861 4.594 1.00 15.00 O ATOM 992 CB ALA A 69 3.998 -11.379 1.982 1.00 15.00 C ATOM 0 H ALA A 69 1.139 -12.193 2.972 1.00 15.00 H new ATOM 0 HA ALA A 69 3.823 -12.961 3.409 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.940 -11.010 2.387 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.200 -12.063 1.158 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.405 -10.539 1.620 1.00 15.00 H new ATOM 998 N THR A 70 4.076 -10.796 4.929 1.00 15.00 N ATOM 999 CA THR A 70 3.980 -9.923 6.094 1.00 15.00 C ATOM 1000 C THR A 70 4.117 -8.456 5.694 1.00 15.00 C ATOM 1001 O THR A 70 4.208 -8.128 4.511 1.00 15.00 O ATOM 1002 CB THR A 70 5.057 -10.285 7.119 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.332 -9.854 6.680 1.00 15.00 O ATOM 1004 CG2 THR A 70 5.145 -11.770 7.397 1.00 15.00 C ATOM 0 H THR A 70 5.028 -11.062 4.678 1.00 15.00 H new ATOM 0 HA THR A 70 2.996 -10.067 6.541 1.00 15.00 H new ATOM 0 HB THR A 70 4.763 -9.777 8.038 1.00 15.00 H new ATOM 0 HG1 THR A 70 7.007 -10.093 7.350 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.928 -11.957 8.132 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.190 -12.125 7.786 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.380 -12.300 6.474 1.00 15.00 H new ATOM 1012 N HIS A 71 4.130 -7.579 6.693 1.00 15.00 N ATOM 1013 CA HIS A 71 4.255 -6.145 6.460 1.00 15.00 C ATOM 1014 C HIS A 71 5.587 -5.829 5.794 1.00 15.00 C ATOM 1015 O HIS A 71 5.631 -5.309 4.679 1.00 15.00 O ATOM 1016 CB HIS A 71 4.105 -5.390 7.792 1.00 15.00 C ATOM 1017 CG HIS A 71 5.074 -4.263 7.999 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.780 -4.089 9.171 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.444 -3.247 7.185 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.541 -3.015 9.069 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.357 -2.487 7.875 1.00 15.00 N ATOM 0 H HIS A 71 4.055 -7.839 7.677 1.00 15.00 H new ATOM 0 HA HIS A 71 3.463 -5.818 5.786 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.092 -4.993 7.854 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.220 -6.102 8.610 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.723 -4.696 9.989 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.088 -3.067 6.181 1.00 15.00 H new ATOM 0 HE1 HIS A 71 7.202 -2.634 9.834 1.00 15.00 H new ATOM 1030 N LYS A 72 6.668 -6.158 6.484 1.00 15.00 N ATOM 1031 CA LYS A 72 8.010 -5.925 5.965 1.00 15.00 C ATOM 1032 C LYS A 72 8.155 -6.525 4.574 1.00 15.00 C ATOM 1033 O LYS A 72 8.855 -5.982 3.722 1.00 15.00 O ATOM 1034 CB LYS A 72 9.045 -6.531 6.912 1.00 15.00 C ATOM 1035 CG LYS A 72 10.469 -6.084 6.627 1.00 15.00 C ATOM 1036 CD LYS A 72 11.482 -6.943 7.368 1.00 15.00 C ATOM 1037 CE LYS A 72 11.362 -6.772 8.874 1.00 15.00 C ATOM 1038 NZ LYS A 72 11.452 -8.075 9.590 1.00 15.00 N ATOM 0 H LYS A 72 6.643 -6.589 7.408 1.00 15.00 H new ATOM 0 HA LYS A 72 8.177 -4.850 5.895 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.788 -6.263 7.937 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.994 -7.618 6.844 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.660 -6.137 5.555 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.590 -5.041 6.921 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.333 -7.991 7.107 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.490 -6.676 7.050 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.151 -6.108 9.228 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.412 -6.293 9.110 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 11.366 -7.915 10.614 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 10.684 -8.700 9.271 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 12.369 -8.521 9.385 1.00 15.00 H new ATOM 1052 N GLN A 73 7.472 -7.643 4.344 1.00 15.00 N ATOM 1053 CA GLN A 73 7.515 -8.303 3.047 1.00 15.00 C ATOM 1054 C GLN A 73 7.014 -7.350 1.974 1.00 15.00 C ATOM 1055 O GLN A 73 7.666 -7.153 0.948 1.00 15.00 O ATOM 1056 CB GLN A 73 6.666 -9.575 3.062 1.00 15.00 C ATOM 1057 CG GLN A 73 7.201 -10.670 2.154 1.00 15.00 C ATOM 1058 CD GLN A 73 7.282 -12.016 2.848 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.361 -12.418 3.559 1.00 15.00 O ATOM 1060 NE2 GLN A 73 8.389 -12.720 2.644 1.00 15.00 N ATOM 0 H GLN A 73 6.885 -8.108 5.037 1.00 15.00 H new ATOM 0 HA GLN A 73 8.545 -8.583 2.828 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.611 -9.954 4.082 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.649 -9.327 2.759 1.00 15.00 H new ATOM 0 HG2 GLN A 73 6.559 -10.756 1.277 1.00 15.00 H new ATOM 0 HG3 GLN A 73 8.192 -10.389 1.797 1.00 15.00 H new ATOM 0 HE21 GLN A 73 9.127 -12.348 2.047 1.00 15.00 H new ATOM 0 HE22 GLN A 73 8.501 -13.633 3.085 1.00 15.00 H new ATOM 1069 N ALA A 74 5.865 -6.734 2.232 1.00 15.00 N ATOM 1070 CA ALA A 74 5.301 -5.774 1.300 1.00 15.00 C ATOM 1071 C ALA A 74 6.191 -4.547 1.230 1.00 15.00 C ATOM 1072 O ALA A 74 6.557 -4.092 0.149 1.00 15.00 O ATOM 1073 CB ALA A 74 3.902 -5.376 1.711 1.00 15.00 C ATOM 0 H ALA A 74 5.311 -6.884 3.075 1.00 15.00 H new ATOM 0 HA ALA A 74 5.245 -6.240 0.316 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.504 -4.656 0.996 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.264 -6.259 1.731 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.929 -4.925 2.703 1.00 15.00 H new ATOM 1079 N VAL A 75 6.555 -4.034 2.407 1.00 15.00 N ATOM 1080 CA VAL A 75 7.435 -2.875 2.510 1.00 15.00 C ATOM 1081 C VAL A 75 8.541 -2.986 1.474 1.00 15.00 C ATOM 1082 O VAL A 75 8.891 -2.018 0.801 1.00 15.00 O ATOM 1083 CB VAL A 75 8.036 -2.786 3.935 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.549 -2.978 3.935 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.667 -1.477 4.601 1.00 15.00 C ATOM 0 H VAL A 75 6.250 -4.408 3.306 1.00 15.00 H new ATOM 0 HA VAL A 75 6.861 -1.968 2.322 1.00 15.00 H new ATOM 0 HB VAL A 75 7.603 -3.604 4.511 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.925 -2.907 4.956 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.791 -3.959 3.526 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.014 -2.205 3.323 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.102 -1.442 5.600 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.051 -0.646 4.008 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.582 -1.399 4.675 1.00 15.00 H new ATOM 1095 N GLU A 76 9.063 -4.196 1.345 1.00 15.00 N ATOM 1096 CA GLU A 76 10.109 -4.477 0.383 1.00 15.00 C ATOM 1097 C GLU A 76 9.572 -4.353 -1.040 1.00 15.00 C ATOM 1098 O GLU A 76 10.205 -3.735 -1.893 1.00 15.00 O ATOM 1099 CB GLU A 76 10.679 -5.878 0.612 1.00 15.00 C ATOM 1100 CG GLU A 76 11.271 -6.073 1.999 1.00 15.00 C ATOM 1101 CD GLU A 76 11.252 -7.523 2.442 1.00 15.00 C ATOM 1102 OE1 GLU A 76 11.606 -8.398 1.624 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.882 -7.783 3.606 1.00 15.00 O ATOM 0 H GLU A 76 8.775 -5.002 1.900 1.00 15.00 H new ATOM 0 HA GLU A 76 10.908 -3.748 0.518 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.889 -6.613 0.456 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.449 -6.075 -0.134 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.298 -5.708 2.006 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.713 -5.470 2.716 1.00 15.00 H new ATOM 1110 N THR A 77 8.399 -4.938 -1.297 1.00 15.00 N ATOM 1111 CA THR A 77 7.804 -4.873 -2.629 1.00 15.00 C ATOM 1112 C THR A 77 7.441 -3.439 -3.007 1.00 15.00 C ATOM 1113 O THR A 77 7.842 -2.950 -4.063 1.00 15.00 O ATOM 1114 CB THR A 77 6.573 -5.772 -2.726 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.826 -5.737 -1.528 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.911 -7.218 -3.014 1.00 15.00 C ATOM 0 H THR A 77 7.851 -5.455 -0.609 1.00 15.00 H new ATOM 0 HA THR A 77 8.552 -5.233 -3.336 1.00 15.00 H new ATOM 0 HB THR A 77 5.994 -5.376 -3.560 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.894 -4.846 -1.126 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.992 -7.802 -3.070 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.443 -7.285 -3.963 1.00 15.00 H new ATOM 0 HG23 THR A 77 7.542 -7.610 -2.216 1.00 15.00 H new ATOM 1124 N LEU A 78 6.680 -2.766 -2.143 1.00 15.00 N ATOM 1125 CA LEU A 78 6.272 -1.387 -2.406 1.00 15.00 C ATOM 1126 C LEU A 78 7.491 -0.527 -2.699 1.00 15.00 C ATOM 1127 O LEU A 78 7.524 0.218 -3.679 1.00 15.00 O ATOM 1128 CB LEU A 78 5.506 -0.799 -1.214 1.00 15.00 C ATOM 1129 CG LEU A 78 4.580 -1.768 -0.475 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.705 -1.015 0.516 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.720 -2.548 -1.457 1.00 15.00 C ATOM 0 H LEU A 78 6.337 -3.150 -1.263 1.00 15.00 H new ATOM 0 HA LEU A 78 5.612 -1.393 -3.273 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.229 -0.402 -0.501 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.912 0.044 -1.568 1.00 15.00 H new ATOM 0 HG LEU A 78 5.198 -2.477 0.075 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.052 -1.719 1.033 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.336 -0.504 1.243 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.099 -0.283 -0.017 1.00 15.00 H new ATOM 0 HD21 LEU A 78 3.070 -3.230 -0.909 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.111 -1.855 -2.038 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.361 -3.119 -2.129 1.00 15.00 H new ATOM 1143 N ARG A 79 8.495 -0.648 -1.843 1.00 15.00 N ATOM 1144 CA ARG A 79 9.729 0.102 -1.999 1.00 15.00 C ATOM 1145 C ARG A 79 10.497 -0.382 -3.226 1.00 15.00 C ATOM 1146 O ARG A 79 10.808 0.399 -4.125 1.00 15.00 O ATOM 1147 CB ARG A 79 10.585 -0.046 -0.740 1.00 15.00 C ATOM 1148 CG ARG A 79 11.457 1.165 -0.448 1.00 15.00 C ATOM 1149 CD ARG A 79 11.540 1.444 1.044 1.00 15.00 C ATOM 1150 NE ARG A 79 10.395 2.215 1.522 1.00 15.00 N ATOM 1151 CZ ARG A 79 10.262 3.528 1.349 1.00 15.00 C ATOM 1152 NH1 ARG A 79 11.200 4.218 0.712 1.00 15.00 N ATOM 1153 NH2 ARG A 79 9.189 4.152 1.814 1.00 15.00 N ATOM 0 H ARG A 79 8.477 -1.263 -1.029 1.00 15.00 H new ATOM 0 HA ARG A 79 9.488 1.155 -2.142 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.932 -0.227 0.114 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.222 -0.924 -0.845 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.459 0.998 -0.844 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.053 2.038 -0.961 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.593 0.500 1.587 1.00 15.00 H new ATOM 0 HD3 ARG A 79 12.459 1.988 1.260 1.00 15.00 H new ATOM 0 HE ARG A 79 9.654 1.718 2.017 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.027 3.742 0.352 1.00 15.00 H new ATOM 0 HH12 ARG A 79 11.093 5.224 0.582 1.00 15.00 H new ATOM 0 HH21 ARG A 79 8.466 3.626 2.304 1.00 15.00 H new ATOM 0 HH22 ARG A 79 9.087 5.158 1.682 1.00 15.00 H new ATOM 1167 N ASN A 80 10.797 -1.678 -3.253 1.00 15.00 N ATOM 1168 CA ASN A 80 11.526 -2.287 -4.364 1.00 15.00 C ATOM 1169 C ASN A 80 10.713 -2.257 -5.660 1.00 15.00 C ATOM 1170 O ASN A 80 10.383 -3.305 -6.216 1.00 15.00 O ATOM 1171 CB ASN A 80 11.896 -3.732 -4.024 1.00 15.00 C ATOM 1172 CG ASN A 80 12.763 -3.831 -2.783 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.622 -2.983 -2.542 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.540 -4.871 -1.988 1.00 15.00 N ATOM 0 H ASN A 80 10.544 -2.332 -2.512 1.00 15.00 H new ATOM 0 HA ASN A 80 12.433 -1.702 -4.520 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.985 -4.312 -3.875 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.422 -4.177 -4.868 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.091 -4.991 -1.138 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.817 -5.550 -2.227 1.00 15.00 H new ATOM 1181 N THR A 81 10.400 -1.061 -6.146 1.00 15.00 N ATOM 1182 CA THR A 81 9.638 -0.922 -7.383 1.00 15.00 C ATOM 1183 C THR A 81 10.578 -0.719 -8.568 1.00 15.00 C ATOM 1184 O THR A 81 10.760 -1.618 -9.389 1.00 15.00 O ATOM 1185 CB THR A 81 8.647 0.240 -7.279 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.870 0.987 -6.095 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.201 -0.207 -7.271 1.00 15.00 C ATOM 0 H THR A 81 10.660 -0.178 -5.706 1.00 15.00 H new ATOM 0 HA THR A 81 9.073 -1.840 -7.543 1.00 15.00 H new ATOM 0 HB THR A 81 8.820 0.847 -8.168 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.343 0.604 -5.363 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.551 0.665 -7.195 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.981 -0.745 -8.193 1.00 15.00 H new ATOM 0 HG23 THR A 81 7.028 -0.864 -6.418 1.00 15.00 H new ATOM 1195 N GLY A 82 11.185 0.463 -8.643 1.00 15.00 N ATOM 1196 CA GLY A 82 12.110 0.754 -9.720 1.00 15.00 C ATOM 1197 C GLY A 82 11.712 1.968 -10.536 1.00 15.00 C ATOM 1198 O GLY A 82 11.901 3.107 -10.107 1.00 15.00 O ATOM 0 H GLY A 82 11.051 1.223 -7.976 1.00 15.00 H new ATOM 0 HA2 GLY A 82 13.104 0.914 -9.303 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.176 -0.113 -10.378 1.00 15.00 H new ATOM 1202 N GLN A 83 11.176 1.719 -11.723 1.00 15.00 N ATOM 1203 CA GLN A 83 10.763 2.793 -12.626 1.00 15.00 C ATOM 1204 C GLN A 83 9.617 3.620 -12.041 1.00 15.00 C ATOM 1205 O GLN A 83 9.843 4.679 -11.457 1.00 15.00 O ATOM 1206 CB GLN A 83 10.364 2.231 -13.998 1.00 15.00 C ATOM 1207 CG GLN A 83 9.705 0.859 -13.946 1.00 15.00 C ATOM 1208 CD GLN A 83 8.521 0.747 -14.886 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.379 0.600 -14.449 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.787 0.814 -16.185 1.00 15.00 N ATOM 0 H GLN A 83 11.015 0.780 -12.087 1.00 15.00 H new ATOM 0 HA GLN A 83 11.621 3.454 -12.751 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.681 2.931 -14.480 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.253 2.170 -14.625 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.441 0.096 -14.201 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.376 0.656 -12.927 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.748 0.936 -16.503 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.030 0.743 -16.865 1.00 15.00 H new ATOM 1219 N VAL A 84 8.389 3.140 -12.212 1.00 15.00 N ATOM 1220 CA VAL A 84 7.213 3.842 -11.712 1.00 15.00 C ATOM 1221 C VAL A 84 6.589 3.098 -10.533 1.00 15.00 C ATOM 1222 O VAL A 84 6.782 1.893 -10.367 1.00 15.00 O ATOM 1223 CB VAL A 84 6.162 4.022 -12.831 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.851 4.565 -12.278 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.702 4.941 -13.915 1.00 15.00 C ATOM 0 H VAL A 84 8.183 2.265 -12.694 1.00 15.00 H new ATOM 0 HA VAL A 84 7.538 4.825 -11.372 1.00 15.00 H new ATOM 0 HB VAL A 84 5.960 3.043 -13.265 1.00 15.00 H new ATOM 0 HG11 VAL A 84 4.133 4.680 -13.090 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.453 3.871 -11.538 1.00 15.00 H new ATOM 0 HG13 VAL A 84 5.027 5.533 -11.810 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.953 5.060 -14.698 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.934 5.915 -13.484 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.607 4.508 -14.342 1.00 15.00 H new ATOM 1235 N VAL A 85 5.835 3.825 -9.720 1.00 15.00 N ATOM 1236 CA VAL A 85 5.183 3.241 -8.560 1.00 15.00 C ATOM 1237 C VAL A 85 3.728 2.901 -8.877 1.00 15.00 C ATOM 1238 O VAL A 85 2.813 3.661 -8.560 1.00 15.00 O ATOM 1239 CB VAL A 85 5.257 4.207 -7.354 1.00 15.00 C ATOM 1240 CG1 VAL A 85 4.212 3.874 -6.298 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.653 4.192 -6.750 1.00 15.00 C ATOM 0 H VAL A 85 5.661 4.822 -9.844 1.00 15.00 H new ATOM 0 HA VAL A 85 5.706 2.320 -8.301 1.00 15.00 H new ATOM 0 HB VAL A 85 5.041 5.211 -7.720 1.00 15.00 H new ATOM 0 HG11 VAL A 85 4.297 4.575 -5.468 1.00 15.00 H new ATOM 0 HG12 VAL A 85 3.216 3.949 -6.735 1.00 15.00 H new ATOM 0 HG13 VAL A 85 4.373 2.859 -5.934 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.690 4.876 -5.902 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.893 3.184 -6.413 1.00 15.00 H new ATOM 0 HG23 VAL A 85 7.378 4.505 -7.501 1.00 15.00 H new ATOM 1251 N HIS A 86 3.529 1.750 -9.513 1.00 15.00 N ATOM 1252 CA HIS A 86 2.191 1.296 -9.881 1.00 15.00 C ATOM 1253 C HIS A 86 1.724 0.174 -8.958 1.00 15.00 C ATOM 1254 O HIS A 86 1.905 -1.006 -9.256 1.00 15.00 O ATOM 1255 CB HIS A 86 2.173 0.816 -11.332 1.00 15.00 C ATOM 1256 CG HIS A 86 0.809 0.444 -11.822 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.282 1.283 -11.723 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.359 -0.685 -12.419 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.343 0.685 -12.235 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.980 -0.510 -12.665 1.00 15.00 N ATOM 0 H HIS A 86 4.278 1.114 -9.785 1.00 15.00 H new ATOM 0 HA HIS A 86 1.508 2.139 -9.775 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.578 1.601 -11.971 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.833 -0.046 -11.429 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.945 -1.560 -12.657 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.338 1.102 -12.292 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.595 -1.192 -13.108 1.00 15.00 H new ATOM 1269 N LEU A 87 1.132 0.555 -7.832 1.00 15.00 N ATOM 1270 CA LEU A 87 0.644 -0.408 -6.854 1.00 15.00 C ATOM 1271 C LEU A 87 -0.874 -0.549 -6.916 1.00 15.00 C ATOM 1272 O LEU A 87 -1.596 0.442 -6.874 1.00 15.00 O ATOM 1273 CB LEU A 87 1.059 0.027 -5.447 1.00 15.00 C ATOM 1274 CG LEU A 87 1.990 -0.938 -4.724 1.00 15.00 C ATOM 1275 CD1 LEU A 87 3.104 -0.180 -4.016 1.00 15.00 C ATOM 1276 CD2 LEU A 87 1.203 -1.784 -3.737 1.00 15.00 C ATOM 0 H LEU A 87 0.978 1.530 -7.574 1.00 15.00 H new ATOM 0 HA LEU A 87 1.085 -1.376 -7.090 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.547 0.999 -5.513 1.00 15.00 H new ATOM 0 HB3 LEU A 87 0.161 0.162 -4.845 1.00 15.00 H new ATOM 0 HG LEU A 87 2.447 -1.599 -5.460 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.758 -0.887 -3.506 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.681 0.385 -4.748 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.672 0.505 -3.287 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.879 -2.470 -3.226 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.722 -1.136 -3.005 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.443 -2.354 -4.271 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.352 -1.786 -6.995 1.00 15.00 N ATOM 1289 CA LEU A 88 -2.788 -2.052 -7.038 1.00 15.00 C ATOM 1290 C LEU A 88 -3.270 -2.526 -5.671 1.00 15.00 C ATOM 1291 O LEU A 88 -3.065 -3.682 -5.298 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.104 -3.102 -8.105 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.336 -2.549 -9.514 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.304 -1.481 -9.848 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.293 -3.673 -10.539 1.00 15.00 C ATOM 0 H LEU A 88 -0.768 -2.621 -7.031 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.309 -1.130 -7.296 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.282 -3.817 -8.143 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -3.992 -3.654 -7.797 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.324 -2.090 -9.545 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.486 -1.101 -10.853 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.381 -0.663 -9.131 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.304 -1.913 -9.799 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.460 -3.263 -11.535 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.318 -4.159 -10.505 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.070 -4.402 -10.312 1.00 15.00 H new ATOM 1307 N LEU A 89 -3.887 -1.624 -4.918 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.369 -1.949 -3.579 1.00 15.00 C ATOM 1309 C LEU A 89 -5.885 -2.097 -3.540 1.00 15.00 C ATOM 1310 O LEU A 89 -6.538 -2.262 -4.570 1.00 15.00 O ATOM 1311 CB LEU A 89 -3.947 -0.866 -2.585 1.00 15.00 C ATOM 1312 CG LEU A 89 -2.759 -0.021 -3.019 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -2.622 1.201 -2.135 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.494 -0.846 -2.974 1.00 15.00 C ATOM 0 H LEU A 89 -4.066 -0.663 -5.210 1.00 15.00 H new ATOM 0 HA LEU A 89 -3.923 -2.904 -3.302 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -4.797 -0.207 -2.407 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.707 -1.341 -1.634 1.00 15.00 H new ATOM 0 HG LEU A 89 -2.926 0.315 -4.043 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -1.767 1.792 -2.462 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -3.528 1.804 -2.204 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.473 0.888 -1.102 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -0.649 -0.233 -3.286 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.328 -1.202 -1.957 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.592 -1.699 -3.646 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.430 -2.018 -2.329 1.00 15.00 N ATOM 1327 CA GLU A 90 -7.865 -2.122 -2.115 1.00 15.00 C ATOM 1328 C GLU A 90 -8.283 -1.233 -0.948 1.00 15.00 C ATOM 1329 O GLU A 90 -7.632 -1.218 0.097 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.262 -3.579 -1.854 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.589 -3.743 -1.128 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.989 -5.196 -0.963 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.400 -6.056 -1.651 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.890 -5.475 -0.144 1.00 15.00 O ATOM 0 H GLU A 90 -5.890 -1.881 -1.475 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.382 -1.784 -3.013 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.314 -4.106 -2.807 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.478 -4.058 -1.267 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.522 -3.275 -0.146 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.368 -3.216 -1.679 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.370 -0.490 -1.133 1.00 15.00 N ATOM 1342 CA LYS A 91 -9.871 0.406 -0.096 1.00 15.00 C ATOM 1343 C LYS A 91 -9.919 -0.295 1.260 1.00 15.00 C ATOM 1344 O LYS A 91 -10.710 -1.215 1.468 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.261 0.919 -0.472 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.525 2.346 -0.022 1.00 15.00 C ATOM 1347 CD LYS A 91 -10.946 3.354 -1.002 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.206 4.782 -0.552 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.569 5.666 -1.694 1.00 15.00 N ATOM 0 H LYS A 91 -9.921 -0.491 -1.991 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.187 1.251 -0.017 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.380 0.860 -1.554 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.012 0.263 -0.032 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -12.599 2.506 0.074 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.089 2.504 0.965 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -9.873 3.192 -1.100 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.383 3.197 -1.988 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -12.010 4.790 0.184 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -10.318 5.174 -0.057 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -11.738 6.631 -1.346 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -10.791 5.679 -2.384 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.431 5.306 -2.151 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.060 0.145 2.174 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.011 -0.452 3.495 1.00 15.00 C ATOM 1365 C GLY A 92 -10.313 -0.295 4.254 1.00 15.00 C ATOM 1366 O GLY A 92 -11.058 0.660 4.033 1.00 15.00 O ATOM 0 H GLY A 92 -8.397 0.905 2.023 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.774 -1.512 3.402 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.204 0.006 4.067 1.00 15.00 H new