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+ 146:sc= -3.94! (180deg=-7.89!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0014 USER MOD Single : A 27 ASN : amide:sc= -1.12 K(o=-1.1,f=0.4) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -0.76 K(o=-0.76,f=-2.8) USER MOD Single : A 36 TYR OH : rot 165:sc= -0.49 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.012 K(o=-0.012,f=-0.61) USER MOD Single : A 48 SER OG : rot 55:sc= 0.00189 USER MOD Single : A 53 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.52) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.04! C(o=-4!,f=-2.3!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 71 HIS : no HE2:sc= -11.4! C(o=-11!,f=-10!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot -16:sc= -2.07 USER MOD Single : A 80 ASN : amide:sc= -1.73 K(o=-1.7,f=-5.5!) USER MOD Single : A 81 THR OG1 : rot -90:sc= 0.356 USER MOD Single : A 83 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.4!) USER MOD Single : A 86 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.15) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.803 -2.229 -5.257 1.00 15.00 N ATOM 73 CA ILE A 6 -10.358 -2.226 -5.381 1.00 15.00 C ATOM 74 C ILE A 6 -9.874 -1.025 -6.190 1.00 15.00 C ATOM 75 O ILE A 6 -10.523 -0.606 -7.148 1.00 15.00 O ATOM 76 CB ILE A 6 -9.888 -3.529 -6.060 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.480 -4.560 -5.008 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.735 -3.267 -7.026 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.599 -4.927 -4.056 1.00 15.00 C ATOM 0 HA ILE A 6 -9.934 -2.158 -4.379 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.723 -3.927 -6.637 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -9.131 -5.462 -5.511 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.639 -4.169 -4.435 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.427 -4.205 -7.488 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -9.059 -2.571 -7.800 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.894 -2.838 -6.481 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -10.238 -5.663 -3.337 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.933 -4.035 -3.526 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.432 -5.348 -4.619 1.00 15.00 H new ATOM 91 N PHE A 7 -8.718 -0.493 -5.811 1.00 15.00 N ATOM 92 CA PHE A 7 -8.136 0.639 -6.517 1.00 15.00 C ATOM 93 C PHE A 7 -6.621 0.481 -6.622 1.00 15.00 C ATOM 94 O PHE A 7 -6.032 -0.365 -5.953 1.00 15.00 O ATOM 95 CB PHE A 7 -8.500 1.960 -5.827 1.00 15.00 C ATOM 96 CG PHE A 7 -7.669 2.278 -4.614 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.366 2.732 -4.749 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.195 2.131 -3.341 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.604 3.033 -3.638 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.436 2.429 -2.225 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.140 2.881 -2.375 1.00 15.00 C ATOM 0 H PHE A 7 -8.167 -0.827 -5.020 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.549 0.662 -7.525 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.396 2.772 -6.547 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.549 1.926 -5.534 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.942 2.852 -5.735 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.209 1.780 -3.219 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.590 3.387 -3.757 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.856 2.309 -1.237 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.546 3.116 -1.504 1.00 15.00 H new ATOM 111 N GLU A 8 -5.999 1.288 -7.474 1.00 15.00 N ATOM 112 CA GLU A 8 -4.555 1.220 -7.672 1.00 15.00 C ATOM 113 C GLU A 8 -3.908 2.597 -7.566 1.00 15.00 C ATOM 114 O GLU A 8 -4.480 3.605 -7.982 1.00 15.00 O ATOM 115 CB GLU A 8 -4.247 0.618 -9.039 1.00 15.00 C ATOM 116 CG GLU A 8 -5.011 1.277 -10.169 1.00 15.00 C ATOM 117 CD GLU A 8 -4.893 0.521 -11.477 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.033 -0.720 -11.460 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.660 1.169 -12.519 1.00 15.00 O ATOM 0 H GLU A 8 -6.470 1.996 -8.038 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.141 0.589 -6.886 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.178 0.704 -9.234 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.483 -0.446 -9.022 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -6.063 1.355 -9.893 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.641 2.293 -10.307 1.00 15.00 H new ATOM 126 N VAL A 9 -2.700 2.617 -7.021 1.00 15.00 N ATOM 127 CA VAL A 9 -1.931 3.847 -6.863 1.00 15.00 C ATOM 128 C VAL A 9 -0.871 3.939 -7.950 1.00 15.00 C ATOM 129 O VAL A 9 0.031 3.106 -8.019 1.00 15.00 O ATOM 130 CB VAL A 9 -1.269 3.940 -5.457 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.449 2.643 -4.688 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.215 4.289 -5.545 1.00 15.00 C ATOM 0 H VAL A 9 -2.224 1.783 -6.676 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.621 4.685 -6.956 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.772 4.746 -4.923 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.978 2.732 -3.709 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.512 2.439 -4.562 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.986 1.825 -5.240 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.636 4.343 -4.541 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.736 3.521 -6.116 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.333 5.252 -6.041 1.00 15.00 H new ATOM 142 N GLU A 10 -0.992 4.944 -8.801 1.00 15.00 N ATOM 143 CA GLU A 10 -0.047 5.129 -9.889 1.00 15.00 C ATOM 144 C GLU A 10 0.893 6.303 -9.630 1.00 15.00 C ATOM 145 O GLU A 10 0.827 7.326 -10.313 1.00 15.00 O ATOM 146 CB GLU A 10 -0.803 5.326 -11.195 1.00 15.00 C ATOM 147 CG GLU A 10 0.095 5.601 -12.392 1.00 15.00 C ATOM 148 CD GLU A 10 0.083 4.471 -13.403 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.946 3.769 -13.497 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.103 4.288 -14.100 1.00 15.00 O ATOM 0 H GLU A 10 -1.734 5.643 -8.760 1.00 15.00 H new ATOM 0 HA GLU A 10 0.570 4.233 -9.959 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.398 4.435 -11.397 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.500 6.156 -11.078 1.00 15.00 H new ATOM 0 HG2 GLU A 10 -0.226 6.522 -12.878 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.116 5.763 -12.046 1.00 15.00 H new ATOM 157 N LEU A 11 1.779 6.143 -8.654 1.00 15.00 N ATOM 158 CA LEU A 11 2.745 7.185 -8.324 1.00 15.00 C ATOM 159 C LEU A 11 3.998 7.021 -9.175 1.00 15.00 C ATOM 160 O LEU A 11 4.237 5.956 -9.736 1.00 15.00 O ATOM 161 CB LEU A 11 3.109 7.138 -6.838 1.00 15.00 C ATOM 162 CG LEU A 11 3.291 8.503 -6.169 1.00 15.00 C ATOM 163 CD1 LEU A 11 1.997 9.300 -6.214 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.762 8.332 -4.732 1.00 15.00 C ATOM 0 H LEU A 11 1.849 5.304 -8.078 1.00 15.00 H new ATOM 0 HA LEU A 11 2.293 8.154 -8.535 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.330 6.592 -6.306 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.032 6.569 -6.724 1.00 15.00 H new ATOM 0 HG LEU A 11 4.052 9.056 -6.719 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.148 10.267 -5.733 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.700 9.453 -7.251 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.214 8.752 -5.689 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.886 9.312 -4.271 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.023 7.759 -4.173 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.715 7.803 -4.722 1.00 15.00 H new ATOM 176 N ALA A 12 4.784 8.082 -9.284 1.00 15.00 N ATOM 177 CA ALA A 12 6.003 8.046 -10.089 1.00 15.00 C ATOM 178 C ALA A 12 7.247 7.774 -9.245 1.00 15.00 C ATOM 179 O ALA A 12 7.836 8.695 -8.680 1.00 15.00 O ATOM 180 CB ALA A 12 6.166 9.344 -10.861 1.00 15.00 C ATOM 0 H ALA A 12 4.603 8.977 -8.828 1.00 15.00 H new ATOM 0 HA ALA A 12 5.900 7.219 -10.791 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.079 9.302 -11.456 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.310 9.485 -11.520 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.227 10.178 -10.162 1.00 15.00 H new ATOM 186 N LYS A 13 7.653 6.509 -9.180 1.00 15.00 N ATOM 187 CA LYS A 13 8.845 6.109 -8.426 1.00 15.00 C ATOM 188 C LYS A 13 10.134 6.686 -9.032 1.00 15.00 C ATOM 189 O LYS A 13 11.210 6.109 -8.888 1.00 15.00 O ATOM 190 CB LYS A 13 8.939 4.583 -8.372 1.00 15.00 C ATOM 191 CG LYS A 13 10.160 4.056 -7.631 1.00 15.00 C ATOM 192 CD LYS A 13 10.487 4.919 -6.430 1.00 15.00 C ATOM 193 CE LYS A 13 9.350 4.900 -5.429 1.00 15.00 C ATOM 194 NZ LYS A 13 9.842 4.888 -4.024 1.00 15.00 N ATOM 0 H LYS A 13 7.173 5.737 -9.642 1.00 15.00 H new ATOM 0 HA LYS A 13 8.744 6.512 -7.418 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.041 4.192 -7.893 1.00 15.00 H new ATOM 0 HB3 LYS A 13 8.951 4.195 -9.391 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.978 3.031 -7.307 1.00 15.00 H new ATOM 0 HG3 LYS A 13 11.015 4.029 -8.306 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.401 4.560 -5.956 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.676 5.943 -6.753 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.717 5.774 -5.584 1.00 15.00 H new ATOM 0 HE3 LYS A 13 8.729 4.021 -5.603 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 9.186 5.425 -3.422 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 9.899 3.907 -3.685 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 10.785 5.324 -3.983 1.00 15.00 H new ATOM 259 N LEU A 18 8.659 7.057 -1.691 1.00 15.00 N ATOM 260 CA LEU A 18 7.397 7.137 -0.980 1.00 15.00 C ATOM 261 C LEU A 18 7.570 7.857 0.353 1.00 15.00 C ATOM 262 O LEU A 18 8.634 8.406 0.640 1.00 15.00 O ATOM 263 CB LEU A 18 6.805 5.739 -0.754 1.00 15.00 C ATOM 264 CG LEU A 18 6.617 4.880 -2.013 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.439 5.748 -3.252 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.794 3.932 -2.189 1.00 15.00 C ATOM 0 HA LEU A 18 6.704 7.710 -1.596 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.452 5.199 -0.062 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.837 5.850 -0.265 1.00 15.00 H new ATOM 0 HG LEU A 18 5.709 4.290 -1.886 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.308 5.111 -4.127 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.560 6.381 -3.130 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.321 6.374 -3.388 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.646 3.330 -3.086 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.714 4.508 -2.287 1.00 15.00 H new ATOM 0 HD23 LEU A 18 7.867 3.277 -1.321 1.00 15.00 H new ATOM 278 N GLY A 19 6.516 7.856 1.159 1.00 15.00 N ATOM 279 CA GLY A 19 6.563 8.515 2.449 1.00 15.00 C ATOM 280 C GLY A 19 5.478 8.029 3.380 1.00 15.00 C ATOM 281 O GLY A 19 4.916 8.806 4.146 1.00 15.00 O ATOM 0 H GLY A 19 5.626 7.408 0.941 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.537 8.342 2.908 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.463 9.591 2.309 1.00 15.00 H new ATOM 285 N ILE A 20 5.174 6.742 3.300 1.00 15.00 N ATOM 286 CA ILE A 20 4.142 6.150 4.137 1.00 15.00 C ATOM 287 C ILE A 20 4.727 5.164 5.141 1.00 15.00 C ATOM 288 O ILE A 20 5.562 4.329 4.796 1.00 15.00 O ATOM 289 CB ILE A 20 3.073 5.440 3.276 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.706 6.066 3.522 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.025 3.951 3.575 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.554 5.214 3.049 1.00 15.00 C ATOM 0 H ILE A 20 5.628 6.087 2.663 1.00 15.00 H new ATOM 0 HA ILE A 20 3.674 6.965 4.689 1.00 15.00 H new ATOM 0 HB ILE A 20 3.345 5.566 2.228 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.591 6.257 4.589 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.663 7.032 3.018 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.264 3.480 2.954 1.00 15.00 H new ATOM 0 HG22 ILE A 20 3.996 3.505 3.360 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.781 3.799 4.626 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.386 5.725 3.258 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.644 5.044 1.976 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.571 4.257 3.571 1.00 15.00 H new ATOM 304 N SER A 21 4.241 5.237 6.370 1.00 15.00 N ATOM 305 CA SER A 21 4.667 4.319 7.411 1.00 15.00 C ATOM 306 C SER A 21 3.652 3.186 7.478 1.00 15.00 C ATOM 307 O SER A 21 2.559 3.353 8.018 1.00 15.00 O ATOM 308 CB SER A 21 4.778 5.041 8.758 1.00 15.00 C ATOM 309 OG SER A 21 4.998 4.121 9.814 1.00 15.00 O ATOM 0 H SER A 21 3.550 5.924 6.670 1.00 15.00 H new ATOM 0 HA SER A 21 5.655 3.919 7.182 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.596 5.760 8.722 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.865 5.606 8.948 1.00 15.00 H new ATOM 0 HG SER A 21 5.067 4.607 10.662 1.00 15.00 H new ATOM 315 N VAL A 22 3.993 2.052 6.876 1.00 15.00 N ATOM 316 CA VAL A 22 3.079 0.916 6.821 1.00 15.00 C ATOM 317 C VAL A 22 3.308 -0.067 7.962 1.00 15.00 C ATOM 318 O VAL A 22 4.400 -0.145 8.523 1.00 15.00 O ATOM 319 CB VAL A 22 3.185 0.159 5.469 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.530 1.104 4.324 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.208 -0.967 5.549 1.00 15.00 C ATOM 0 H VAL A 22 4.892 1.895 6.421 1.00 15.00 H new ATOM 0 HA VAL A 22 2.078 1.336 6.920 1.00 15.00 H new ATOM 0 HB VAL A 22 2.206 -0.276 5.266 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.596 0.540 3.394 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.754 1.864 4.233 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.487 1.585 4.525 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.261 -1.479 4.588 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.186 -0.553 5.794 1.00 15.00 H new ATOM 0 HG23 VAL A 22 3.910 -1.675 6.322 1.00 15.00 H new ATOM 331 N THR A 23 2.261 -0.820 8.287 1.00 15.00 N ATOM 332 CA THR A 23 2.323 -1.816 9.348 1.00 15.00 C ATOM 333 C THR A 23 1.369 -2.976 9.050 1.00 15.00 C ATOM 334 O THR A 23 0.628 -2.944 8.064 1.00 15.00 O ATOM 335 CB THR A 23 1.992 -1.170 10.696 1.00 15.00 C ATOM 336 OG1 THR A 23 2.394 -2.005 11.770 1.00 15.00 O ATOM 337 CG2 THR A 23 0.521 -0.861 10.869 1.00 15.00 C ATOM 0 H THR A 23 1.353 -0.757 7.826 1.00 15.00 H new ATOM 0 HA THR A 23 3.336 -2.216 9.397 1.00 15.00 H new ATOM 0 HB THR A 23 2.543 -0.230 10.707 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.174 -1.572 12.621 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.357 -0.405 11.845 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.200 -0.172 10.088 1.00 15.00 H new ATOM 0 HG23 THR A 23 -0.055 -1.783 10.798 1.00 15.00 H new ATOM 345 N GLY A 24 1.388 -3.998 9.903 1.00 15.00 N ATOM 346 CA GLY A 24 0.515 -5.143 9.704 1.00 15.00 C ATOM 347 C GLY A 24 1.128 -6.188 8.798 1.00 15.00 C ATOM 348 O GLY A 24 2.114 -6.828 9.160 1.00 15.00 O ATOM 0 H GLY A 24 1.990 -4.054 10.725 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.286 -5.593 10.670 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.430 -4.806 9.277 1.00 15.00 H new ATOM 352 N GLY A 25 0.549 -6.351 7.612 1.00 15.00 N ATOM 353 CA GLY A 25 1.062 -7.313 6.654 1.00 15.00 C ATOM 354 C GLY A 25 1.004 -8.748 7.142 1.00 15.00 C ATOM 355 O GLY A 25 0.279 -9.569 6.579 1.00 15.00 O ATOM 0 H GLY A 25 -0.270 -5.831 7.297 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.493 -7.230 5.728 1.00 15.00 H new ATOM 0 HA3 GLY A 25 2.095 -7.061 6.416 1.00 15.00 H new ATOM 359 N VAL A 26 1.788 -9.050 8.177 1.00 15.00 N ATOM 360 CA VAL A 26 1.862 -10.398 8.753 1.00 15.00 C ATOM 361 C VAL A 26 0.560 -11.179 8.584 1.00 15.00 C ATOM 362 O VAL A 26 -0.532 -10.618 8.668 1.00 15.00 O ATOM 363 CB VAL A 26 2.225 -10.353 10.252 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.712 -10.602 10.450 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.815 -9.023 10.865 1.00 15.00 C ATOM 0 H VAL A 26 2.390 -8.370 8.641 1.00 15.00 H new ATOM 0 HA VAL A 26 2.649 -10.912 8.201 1.00 15.00 H new ATOM 0 HB VAL A 26 1.676 -11.145 10.761 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.948 -10.566 11.513 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.973 -11.583 10.053 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.282 -9.835 9.926 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.080 -9.013 11.922 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.332 -8.212 10.353 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.738 -8.890 10.760 1.00 15.00 H new ATOM 375 N ASN A 27 0.694 -12.479 8.342 1.00 15.00 N ATOM 376 CA ASN A 27 -0.460 -13.351 8.155 1.00 15.00 C ATOM 377 C ASN A 27 -1.135 -13.658 9.490 1.00 15.00 C ATOM 378 O ASN A 27 -1.204 -14.813 9.911 1.00 15.00 O ATOM 379 CB ASN A 27 -0.029 -14.654 7.478 1.00 15.00 C ATOM 380 CG ASN A 27 1.146 -15.309 8.177 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.028 -15.774 9.311 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.290 -15.347 7.503 1.00 15.00 N ATOM 0 H ASN A 27 1.594 -12.953 8.271 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.178 -12.834 7.518 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.870 -15.347 7.461 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.237 -14.450 6.441 1.00 15.00 H new ATOM 0 HD21 ASN A 27 3.116 -15.774 7.923 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.343 -14.949 6.565 1.00 15.00 H new ATOM 389 N THR A 28 -1.632 -12.619 10.153 1.00 15.00 N ATOM 390 CA THR A 28 -2.300 -12.785 11.439 1.00 15.00 C ATOM 391 C THR A 28 -3.340 -11.692 11.661 1.00 15.00 C ATOM 392 O THR A 28 -4.540 -11.962 11.698 1.00 15.00 O ATOM 393 CB THR A 28 -1.275 -12.767 12.574 1.00 15.00 C ATOM 394 OG1 THR A 28 -0.005 -13.190 12.110 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.657 -13.654 13.739 1.00 15.00 C ATOM 0 H THR A 28 -1.585 -11.655 9.822 1.00 15.00 H new ATOM 0 HA THR A 28 -2.810 -13.748 11.432 1.00 15.00 H new ATOM 0 HB THR A 28 -1.245 -11.734 12.920 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.637 -13.170 12.850 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.888 -13.595 14.509 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.610 -13.322 14.152 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.749 -14.685 13.397 1.00 15.00 H new ATOM 403 N SER A 29 -2.871 -10.458 11.809 1.00 15.00 N ATOM 404 CA SER A 29 -3.761 -9.323 12.029 1.00 15.00 C ATOM 405 C SER A 29 -4.642 -9.079 10.809 1.00 15.00 C ATOM 406 O SER A 29 -5.861 -8.946 10.927 1.00 15.00 O ATOM 407 CB SER A 29 -2.950 -8.066 12.347 1.00 15.00 C ATOM 408 OG SER A 29 -2.280 -8.190 13.589 1.00 15.00 O ATOM 0 H SER A 29 -1.880 -10.218 11.781 1.00 15.00 H new ATOM 0 HA SER A 29 -4.404 -9.556 12.878 1.00 15.00 H new ATOM 0 HB2 SER A 29 -2.223 -7.889 11.555 1.00 15.00 H new ATOM 0 HB3 SER A 29 -3.611 -7.200 12.372 1.00 15.00 H new ATOM 0 HG SER A 29 -1.768 -7.374 13.767 1.00 15.00 H new ATOM 414 N VAL A 30 -4.018 -9.019 9.638 1.00 15.00 N ATOM 415 CA VAL A 30 -4.744 -8.790 8.395 1.00 15.00 C ATOM 416 C VAL A 30 -5.477 -10.051 7.946 1.00 15.00 C ATOM 417 O VAL A 30 -5.504 -11.052 8.662 1.00 15.00 O ATOM 418 CB VAL A 30 -3.799 -8.322 7.273 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.136 -7.006 7.649 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.754 -9.387 6.973 1.00 15.00 C ATOM 0 H VAL A 30 -3.010 -9.126 9.524 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.474 -8.005 8.592 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.389 -8.162 6.370 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.472 -6.690 6.845 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.901 -6.246 7.808 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.560 -7.138 8.565 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.096 -9.037 6.178 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.167 -9.583 7.870 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.250 -10.304 6.656 1.00 15.00 H new ATOM 430 N ARG A 31 -6.075 -9.995 6.759 1.00 15.00 N ATOM 431 CA ARG A 31 -6.813 -11.131 6.218 1.00 15.00 C ATOM 432 C ARG A 31 -5.960 -12.399 6.223 1.00 15.00 C ATOM 433 O ARG A 31 -6.112 -13.255 7.095 1.00 15.00 O ATOM 434 CB ARG A 31 -7.287 -10.826 4.795 1.00 15.00 C ATOM 435 CG ARG A 31 -8.540 -9.967 4.743 1.00 15.00 C ATOM 436 CD ARG A 31 -9.769 -10.788 4.380 1.00 15.00 C ATOM 437 NE ARG A 31 -10.869 -10.571 5.316 1.00 15.00 N ATOM 438 CZ ARG A 31 -10.982 -11.194 6.486 1.00 15.00 C ATOM 439 NH1 ARG A 31 -10.067 -12.076 6.868 1.00 15.00 N ATOM 440 NH2 ARG A 31 -12.015 -10.936 7.278 1.00 15.00 N ATOM 0 H ARG A 31 -6.063 -9.174 6.154 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.680 -11.301 6.856 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.487 -10.320 4.255 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.478 -11.765 4.275 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -8.694 -9.489 5.710 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.405 -9.170 4.011 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.094 -10.528 3.373 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.507 -11.846 4.367 1.00 15.00 H new ATOM 0 HE ARG A 31 -11.594 -9.902 5.057 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -9.271 -12.280 6.263 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -10.159 -12.550 7.766 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -12.722 -10.260 6.990 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -12.102 -11.414 8.175 1.00 15.00 H new ATOM 454 N HIS A 32 -5.066 -12.515 5.245 1.00 15.00 N ATOM 455 CA HIS A 32 -4.197 -13.682 5.142 1.00 15.00 C ATOM 456 C HIS A 32 -2.730 -13.272 5.051 1.00 15.00 C ATOM 457 O HIS A 32 -1.868 -13.878 5.684 1.00 15.00 O ATOM 458 CB HIS A 32 -4.579 -14.522 3.922 1.00 15.00 C ATOM 459 CG HIS A 32 -4.650 -13.734 2.651 1.00 15.00 C ATOM 460 ND1 HIS A 32 -5.709 -12.909 2.335 1.00 15.00 N ATOM 461 CD2 HIS A 32 -3.786 -13.647 1.612 1.00 15.00 C ATOM 462 CE1 HIS A 32 -5.494 -12.351 1.157 1.00 15.00 C ATOM 463 NE2 HIS A 32 -4.334 -12.781 0.698 1.00 15.00 N ATOM 0 H HIS A 32 -4.925 -11.817 4.515 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.330 -14.278 6.045 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -3.852 -15.325 3.802 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.546 -14.992 4.103 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -6.530 -12.754 2.920 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -2.842 -14.163 1.519 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -6.155 -11.660 0.655 1.00 15.00 H new ATOM 472 N GLY A 33 -2.454 -12.246 4.255 1.00 15.00 N ATOM 473 CA GLY A 33 -1.088 -11.778 4.093 1.00 15.00 C ATOM 474 C GLY A 33 -1.009 -10.463 3.343 1.00 15.00 C ATOM 475 O GLY A 33 0.007 -10.156 2.721 1.00 15.00 O ATOM 0 H GLY A 33 -3.151 -11.729 3.718 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.629 -11.661 5.075 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.510 -12.532 3.559 1.00 15.00 H new ATOM 479 N GLY A 34 -2.076 -9.672 3.422 1.00 15.00 N ATOM 480 CA GLY A 34 -2.090 -8.382 2.764 1.00 15.00 C ATOM 481 C GLY A 34 -1.624 -7.305 3.712 1.00 15.00 C ATOM 482 O GLY A 34 -1.729 -7.469 4.927 1.00 15.00 O ATOM 0 H GLY A 34 -2.929 -9.904 3.930 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.445 -8.407 1.886 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.097 -8.156 2.413 1.00 15.00 H new ATOM 486 N ILE A 35 -1.094 -6.209 3.187 1.00 15.00 N ATOM 487 CA ILE A 35 -0.613 -5.150 4.060 1.00 15.00 C ATOM 488 C ILE A 35 -1.619 -4.020 4.205 1.00 15.00 C ATOM 489 O ILE A 35 -2.428 -3.762 3.316 1.00 15.00 O ATOM 490 CB ILE A 35 0.753 -4.590 3.602 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.715 -4.567 4.794 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.616 -3.201 2.982 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.963 -3.743 4.573 1.00 15.00 C ATOM 0 H ILE A 35 -0.988 -6.032 2.188 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.480 -5.611 5.039 1.00 15.00 H new ATOM 0 HB ILE A 35 1.154 -5.242 2.826 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.187 -4.178 5.664 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.007 -5.590 5.030 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.598 -2.842 2.673 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.041 -3.253 2.114 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.193 -2.515 3.716 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.587 -3.782 5.466 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.518 -4.143 3.725 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.685 -2.709 4.369 1.00 15.00 H new ATOM 505 N TYR A 36 -1.535 -3.350 5.340 1.00 15.00 N ATOM 506 CA TYR A 36 -2.405 -2.229 5.651 1.00 15.00 C ATOM 507 C TYR A 36 -1.579 -1.118 6.279 1.00 15.00 C ATOM 508 O TYR A 36 -1.068 -1.268 7.389 1.00 15.00 O ATOM 509 CB TYR A 36 -3.520 -2.667 6.600 1.00 15.00 C ATOM 510 CG TYR A 36 -4.506 -3.629 5.973 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.121 -4.915 5.608 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.822 -3.249 5.745 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.021 -5.792 5.035 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.728 -4.121 5.173 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.323 -5.391 4.820 1.00 15.00 C ATOM 516 OH TYR A 36 -7.222 -6.262 4.249 1.00 15.00 O ATOM 0 H TYR A 36 -0.861 -3.568 6.074 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.867 -1.863 4.734 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.075 -3.136 7.478 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.057 -1.785 6.948 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.102 -5.233 5.775 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.143 -2.255 6.020 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.707 -6.787 4.757 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.748 -3.810 5.003 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.133 -5.926 4.382 1.00 15.00 H new ATOM 526 N VAL A 37 -1.419 -0.017 5.558 1.00 15.00 N ATOM 527 CA VAL A 37 -0.610 1.091 6.063 1.00 15.00 C ATOM 528 C VAL A 37 -1.095 1.562 7.424 1.00 15.00 C ATOM 529 O VAL A 37 -2.182 1.207 7.875 1.00 15.00 O ATOM 530 CB VAL A 37 -0.543 2.307 5.091 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.695 1.881 3.648 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.568 3.385 5.421 1.00 15.00 C ATOM 0 H VAL A 37 -1.829 0.135 4.637 1.00 15.00 H new ATOM 0 HA VAL A 37 0.398 0.687 6.153 1.00 15.00 H new ATOM 0 HB VAL A 37 0.449 2.738 5.229 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.643 2.758 3.002 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.106 1.189 3.386 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.658 1.388 3.514 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.474 4.206 4.711 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.572 2.964 5.358 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.393 3.757 6.431 1.00 15.00 H new ATOM 542 N LYS A 38 -0.286 2.395 8.053 1.00 15.00 N ATOM 543 CA LYS A 38 -0.633 2.959 9.343 1.00 15.00 C ATOM 544 C LYS A 38 -1.162 4.364 9.124 1.00 15.00 C ATOM 545 O LYS A 38 -2.189 4.749 9.681 1.00 15.00 O ATOM 546 CB LYS A 38 0.578 2.973 10.282 1.00 15.00 C ATOM 547 CG LYS A 38 0.303 3.636 11.622 1.00 15.00 C ATOM 548 CD LYS A 38 -0.134 2.621 12.667 1.00 15.00 C ATOM 549 CE LYS A 38 -1.642 2.423 12.656 1.00 15.00 C ATOM 550 NZ LYS A 38 -2.021 1.016 12.963 1.00 15.00 N ATOM 0 H LYS A 38 0.618 2.696 7.690 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.399 2.345 9.817 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.905 1.948 10.454 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.401 3.492 9.792 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.201 4.150 11.966 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.472 4.393 11.502 1.00 15.00 H new ATOM 0 HD2 LYS A 38 0.360 1.668 12.479 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.183 2.955 13.655 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -2.101 3.090 13.386 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -2.037 2.700 11.679 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -3.057 0.924 12.945 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -1.605 0.381 12.252 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -1.667 0.759 13.906 1.00 15.00 H new ATOM 564 N ALA A 39 -0.456 5.116 8.283 1.00 15.00 N ATOM 565 CA ALA A 39 -0.852 6.471 7.945 1.00 15.00 C ATOM 566 C ALA A 39 0.031 7.019 6.834 1.00 15.00 C ATOM 567 O ALA A 39 1.037 6.408 6.481 1.00 15.00 O ATOM 568 CB ALA A 39 -0.806 7.360 9.173 1.00 15.00 C ATOM 0 H ALA A 39 0.399 4.802 7.823 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.880 6.456 7.582 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.106 8.372 8.901 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.487 6.971 9.930 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.208 7.377 9.572 1.00 15.00 H new ATOM 574 N VAL A 40 -0.330 8.181 6.306 1.00 15.00 N ATOM 575 CA VAL A 40 0.458 8.812 5.250 1.00 15.00 C ATOM 576 C VAL A 40 1.387 9.844 5.880 1.00 15.00 C ATOM 577 O VAL A 40 0.934 10.851 6.425 1.00 15.00 O ATOM 578 CB VAL A 40 -0.428 9.490 4.176 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.490 8.642 2.911 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.828 9.749 4.708 1.00 15.00 C ATOM 0 H VAL A 40 -1.158 8.705 6.588 1.00 15.00 H new ATOM 0 HA VAL A 40 1.031 8.034 4.746 1.00 15.00 H new ATOM 0 HB VAL A 40 0.026 10.449 3.927 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -1.118 9.138 2.171 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.515 8.515 2.508 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.912 7.665 3.148 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.429 10.226 3.934 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.289 8.804 4.995 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.771 10.404 5.578 1.00 15.00 H new ATOM 590 N ILE A 41 2.684 9.553 5.861 1.00 15.00 N ATOM 591 CA ILE A 41 3.672 10.421 6.493 1.00 15.00 C ATOM 592 C ILE A 41 4.005 11.668 5.673 1.00 15.00 C ATOM 593 O ILE A 41 4.560 11.576 4.576 1.00 15.00 O ATOM 594 CB ILE A 41 4.964 9.631 6.835 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.716 8.647 7.990 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.108 10.570 7.190 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.298 8.117 8.071 1.00 15.00 C ATOM 0 H ILE A 41 3.075 8.723 5.415 1.00 15.00 H new ATOM 0 HA ILE A 41 3.213 10.776 7.416 1.00 15.00 H new ATOM 0 HB ILE A 41 5.245 9.066 5.946 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.400 7.805 7.886 1.00 15.00 H new ATOM 0 HG13 ILE A 41 4.960 9.141 8.930 1.00 15.00 H new ATOM 0 HG21 ILE A 41 6.998 9.986 7.424 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.316 11.226 6.345 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.830 11.171 8.056 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.214 7.431 8.914 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.606 8.948 8.209 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.053 7.591 7.149 1.00 15.00 H new ATOM 609 N PRO A 42 3.671 12.862 6.228 1.00 15.00 N ATOM 610 CA PRO A 42 3.925 14.162 5.585 1.00 15.00 C ATOM 611 C PRO A 42 5.411 14.431 5.348 1.00 15.00 C ATOM 612 O PRO A 42 5.965 15.395 5.877 1.00 15.00 O ATOM 613 CB PRO A 42 3.365 15.183 6.586 1.00 15.00 C ATOM 614 CG PRO A 42 2.432 14.409 7.448 1.00 15.00 C ATOM 615 CD PRO A 42 3.016 13.032 7.539 1.00 15.00 C ATOM 0 HA PRO A 42 3.465 14.206 4.598 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.163 15.636 7.175 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.847 15.994 6.074 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.342 14.863 8.435 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.431 14.383 7.017 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.728 12.949 8.360 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.247 12.278 7.707 1.00 15.00 H new ATOM 623 N GLN A 43 6.056 13.582 4.555 1.00 15.00 N ATOM 624 CA GLN A 43 7.474 13.751 4.265 1.00 15.00 C ATOM 625 C GLN A 43 7.839 13.202 2.887 1.00 15.00 C ATOM 626 O GLN A 43 8.529 13.865 2.112 1.00 15.00 O ATOM 627 CB GLN A 43 8.316 13.062 5.341 1.00 15.00 C ATOM 628 CG GLN A 43 8.994 14.031 6.296 1.00 15.00 C ATOM 629 CD GLN A 43 9.269 13.416 7.654 1.00 15.00 C ATOM 630 OE1 GLN A 43 9.313 12.194 7.797 1.00 15.00 O ATOM 631 NE2 GLN A 43 9.455 14.262 8.660 1.00 15.00 N ATOM 0 H GLN A 43 5.623 12.776 4.105 1.00 15.00 H new ATOM 0 HA GLN A 43 7.686 14.820 4.265 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.679 12.388 5.913 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.077 12.449 4.858 1.00 15.00 H new ATOM 0 HG2 GLN A 43 9.933 14.370 5.858 1.00 15.00 H new ATOM 0 HG3 GLN A 43 8.365 14.912 6.421 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.410 15.268 8.496 1.00 15.00 H new ATOM 0 HE22 GLN A 43 9.643 13.906 9.597 1.00 15.00 H new ATOM 640 N GLY A 44 7.391 11.985 2.590 1.00 15.00 N ATOM 641 CA GLY A 44 7.709 11.377 1.306 1.00 15.00 C ATOM 642 C GLY A 44 6.722 11.721 0.204 1.00 15.00 C ATOM 643 O GLY A 44 5.634 12.235 0.461 1.00 15.00 O ATOM 0 H GLY A 44 6.818 11.412 3.209 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.706 11.695 1.001 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.743 10.294 1.426 1.00 15.00 H new ATOM 647 N ALA A 45 7.119 11.421 -1.030 1.00 15.00 N ATOM 648 CA ALA A 45 6.298 11.686 -2.211 1.00 15.00 C ATOM 649 C ALA A 45 4.914 11.049 -2.120 1.00 15.00 C ATOM 650 O ALA A 45 4.020 11.388 -2.896 1.00 15.00 O ATOM 651 CB ALA A 45 7.008 11.188 -3.458 1.00 15.00 C ATOM 0 H ALA A 45 8.018 10.988 -1.241 1.00 15.00 H new ATOM 0 HA ALA A 45 6.156 12.765 -2.265 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.390 11.389 -4.333 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.963 11.702 -3.562 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.181 10.115 -3.374 1.00 15.00 H new ATOM 657 N ALA A 46 4.736 10.122 -1.187 1.00 15.00 N ATOM 658 CA ALA A 46 3.455 9.448 -1.031 1.00 15.00 C ATOM 659 C ALA A 46 2.417 10.385 -0.435 1.00 15.00 C ATOM 660 O ALA A 46 1.373 10.630 -1.037 1.00 15.00 O ATOM 661 CB ALA A 46 3.609 8.213 -0.160 1.00 15.00 C ATOM 0 H ALA A 46 5.458 9.822 -0.531 1.00 15.00 H new ATOM 0 HA ALA A 46 3.112 9.141 -2.019 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.643 7.720 -0.053 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.317 7.526 -0.624 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.978 8.505 0.823 1.00 15.00 H new ATOM 667 N GLU A 47 2.711 10.917 0.745 1.00 15.00 N ATOM 668 CA GLU A 47 1.797 11.839 1.406 1.00 15.00 C ATOM 669 C GLU A 47 1.498 13.034 0.500 1.00 15.00 C ATOM 670 O GLU A 47 0.357 13.487 0.404 1.00 15.00 O ATOM 671 CB GLU A 47 2.392 12.330 2.732 1.00 15.00 C ATOM 672 CG GLU A 47 3.552 13.291 2.532 1.00 15.00 C ATOM 673 CD GLU A 47 3.099 14.725 2.324 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.990 15.069 2.784 1.00 15.00 O ATOM 675 OE2 GLU A 47 3.853 15.502 1.702 1.00 15.00 O ATOM 0 H GLU A 47 3.570 10.727 1.261 1.00 15.00 H new ATOM 0 HA GLU A 47 0.868 11.308 1.612 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.614 12.822 3.315 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.731 11.473 3.313 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.210 13.245 3.400 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.138 12.971 1.670 1.00 15.00 H new ATOM 682 N SER A 48 2.542 13.543 -0.156 1.00 15.00 N ATOM 683 CA SER A 48 2.409 14.689 -1.050 1.00 15.00 C ATOM 684 C SER A 48 1.331 14.430 -2.089 1.00 15.00 C ATOM 685 O SER A 48 0.241 15.000 -2.023 1.00 15.00 O ATOM 686 CB SER A 48 3.744 14.985 -1.737 1.00 15.00 C ATOM 687 OG SER A 48 4.195 16.294 -1.434 1.00 15.00 O ATOM 0 H SER A 48 3.491 13.177 -0.083 1.00 15.00 H new ATOM 0 HA SER A 48 2.120 15.557 -0.458 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.490 14.257 -1.418 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.633 14.876 -2.816 1.00 15.00 H new ATOM 0 HG SER A 48 4.231 16.411 -0.462 1.00 15.00 H new ATOM 693 N ASP A 49 1.630 13.552 -3.039 1.00 15.00 N ATOM 694 CA ASP A 49 0.668 13.209 -4.074 1.00 15.00 C ATOM 695 C ASP A 49 -0.594 12.652 -3.429 1.00 15.00 C ATOM 696 O ASP A 49 -1.711 12.956 -3.845 1.00 15.00 O ATOM 697 CB ASP A 49 1.263 12.183 -5.041 1.00 15.00 C ATOM 698 CG ASP A 49 1.791 12.823 -6.310 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.006 12.972 -7.270 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.989 13.175 -6.343 1.00 15.00 O ATOM 0 H ASP A 49 2.525 13.069 -3.113 1.00 15.00 H new ATOM 0 HA ASP A 49 0.419 14.107 -4.639 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.071 11.646 -4.545 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.502 11.446 -5.298 1.00 15.00 H new ATOM 705 N GLY A 50 -0.395 11.836 -2.399 1.00 15.00 N ATOM 706 CA GLY A 50 -1.508 11.243 -1.689 1.00 15.00 C ATOM 707 C GLY A 50 -2.055 10.031 -2.414 1.00 15.00 C ATOM 708 O GLY A 50 -3.260 9.928 -2.644 1.00 15.00 O ATOM 0 H GLY A 50 0.525 11.575 -2.043 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.188 10.954 -0.688 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.299 11.983 -1.570 1.00 15.00 H new ATOM 712 N ARG A 51 -1.167 9.117 -2.787 1.00 15.00 N ATOM 713 CA ARG A 51 -1.568 7.914 -3.504 1.00 15.00 C ATOM 714 C ARG A 51 -2.140 6.878 -2.544 1.00 15.00 C ATOM 715 O ARG A 51 -3.237 6.361 -2.756 1.00 15.00 O ATOM 716 CB ARG A 51 -0.372 7.327 -4.262 1.00 15.00 C ATOM 717 CG ARG A 51 -0.589 7.221 -5.763 1.00 15.00 C ATOM 718 CD ARG A 51 -1.027 8.544 -6.366 1.00 15.00 C ATOM 719 NE ARG A 51 -2.478 8.626 -6.513 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.099 9.562 -7.227 1.00 15.00 C ATOM 721 NH1 ARG A 51 -2.399 10.495 -7.860 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.422 9.564 -7.310 1.00 15.00 N ATOM 0 H ARG A 51 -0.166 9.186 -2.605 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.344 8.184 -4.220 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.505 7.946 -4.074 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.153 6.336 -3.865 1.00 15.00 H new ATOM 0 HG2 ARG A 51 0.334 6.892 -6.241 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -1.343 6.461 -5.968 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -0.680 9.362 -5.735 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -0.556 8.671 -7.341 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.049 7.925 -6.041 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -1.381 10.497 -7.801 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -2.879 11.210 -8.406 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.964 8.848 -6.827 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -4.898 10.281 -7.857 1.00 15.00 H new ATOM 736 N ILE A 52 -1.396 6.583 -1.485 1.00 15.00 N ATOM 737 CA ILE A 52 -1.840 5.613 -0.494 1.00 15.00 C ATOM 738 C ILE A 52 -2.611 6.294 0.634 1.00 15.00 C ATOM 739 O ILE A 52 -2.527 7.508 0.816 1.00 15.00 O ATOM 740 CB ILE A 52 -0.655 4.831 0.106 1.00 15.00 C ATOM 741 CG1 ILE A 52 0.169 4.173 -1.004 1.00 15.00 C ATOM 742 CG2 ILE A 52 -1.156 3.778 1.085 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.317 2.787 -1.370 1.00 15.00 C ATOM 0 H ILE A 52 -0.486 7.000 -1.291 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.497 4.914 -1.011 1.00 15.00 H new ATOM 0 HB ILE A 52 -0.016 5.532 0.644 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.142 4.806 -1.891 1.00 15.00 H new ATOM 0 HG13 ILE A 52 1.210 4.113 -0.687 1.00 15.00 H new ATOM 0 HG21 ILE A 52 -0.307 3.234 1.500 1.00 15.00 H new ATOM 0 HG22 ILE A 52 -1.706 4.263 1.891 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -1.814 3.082 0.565 1.00 15.00 H new ATOM 0 HD11 ILE A 52 0.311 2.379 -2.162 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -0.264 2.140 -0.495 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -1.349 2.843 -1.717 1.00 15.00 H new ATOM 755 N HIS A 53 -3.356 5.496 1.388 1.00 15.00 N ATOM 756 CA HIS A 53 -4.143 5.995 2.504 1.00 15.00 C ATOM 757 C HIS A 53 -4.104 5.021 3.661 1.00 15.00 C ATOM 758 O HIS A 53 -3.815 3.838 3.491 1.00 15.00 O ATOM 759 CB HIS A 53 -5.588 6.255 2.075 1.00 15.00 C ATOM 760 CG HIS A 53 -5.705 7.150 0.880 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.663 6.685 -0.417 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.865 8.492 0.791 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.790 7.701 -1.252 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.915 8.808 -0.544 1.00 15.00 N ATOM 0 H HIS A 53 -3.431 4.489 1.243 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.707 6.939 2.831 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -6.070 5.303 1.854 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.131 6.702 2.908 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.939 9.184 1.616 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.791 7.637 -2.330 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.030 9.746 -0.927 1.00 15.00 H new ATOM 773 N LYS A 54 -4.372 5.550 4.841 1.00 15.00 N ATOM 774 CA LYS A 54 -4.351 4.779 6.070 1.00 15.00 C ATOM 775 C LYS A 54 -4.851 3.345 5.875 1.00 15.00 C ATOM 776 O LYS A 54 -5.897 3.117 5.266 1.00 15.00 O ATOM 777 CB LYS A 54 -5.192 5.485 7.138 1.00 15.00 C ATOM 778 CG LYS A 54 -4.438 5.762 8.425 1.00 15.00 C ATOM 779 CD LYS A 54 -4.916 4.869 9.559 1.00 15.00 C ATOM 780 CE LYS A 54 -4.736 3.397 9.224 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.245 2.514 10.309 1.00 15.00 N ATOM 0 H LYS A 54 -4.612 6.532 4.974 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.312 4.714 6.393 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.560 6.428 6.733 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -6.065 4.873 7.364 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.372 5.605 8.263 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -4.568 6.807 8.705 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.363 5.106 10.468 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.967 5.071 9.764 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.259 3.169 8.295 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.680 3.190 9.053 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.104 1.519 10.042 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.728 2.713 11.189 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.259 2.693 10.455 1.00 15.00 H new ATOM 795 N GLY A 55 -4.095 2.387 6.409 1.00 15.00 N ATOM 796 CA GLY A 55 -4.468 0.986 6.301 1.00 15.00 C ATOM 797 C GLY A 55 -4.815 0.556 4.888 1.00 15.00 C ATOM 798 O GLY A 55 -5.728 -0.247 4.694 1.00 15.00 O ATOM 0 H GLY A 55 -3.227 2.558 6.917 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.646 0.371 6.667 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.323 0.795 6.950 1.00 15.00 H new ATOM 802 N ASP A 56 -4.092 1.069 3.894 1.00 15.00 N ATOM 803 CA ASP A 56 -4.359 0.692 2.513 1.00 15.00 C ATOM 804 C ASP A 56 -4.043 -0.782 2.291 1.00 15.00 C ATOM 805 O ASP A 56 -2.951 -1.244 2.628 1.00 15.00 O ATOM 806 CB ASP A 56 -3.550 1.559 1.547 1.00 15.00 C ATOM 807 CG ASP A 56 -4.422 2.210 0.495 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.384 1.559 0.036 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.145 3.373 0.131 1.00 15.00 O ATOM 0 H ASP A 56 -3.330 1.735 4.018 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.419 0.855 2.316 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.023 2.331 2.108 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -2.792 0.946 1.059 1.00 15.00 H new ATOM 814 N ARG A 57 -4.999 -1.514 1.722 1.00 15.00 N ATOM 815 CA ARG A 57 -4.816 -2.936 1.453 1.00 15.00 C ATOM 816 C ARG A 57 -4.070 -3.140 0.140 1.00 15.00 C ATOM 817 O ARG A 57 -4.683 -3.272 -0.919 1.00 15.00 O ATOM 818 CB ARG A 57 -6.167 -3.651 1.401 1.00 15.00 C ATOM 819 CG ARG A 57 -6.053 -5.166 1.472 1.00 15.00 C ATOM 820 CD ARG A 57 -7.409 -5.835 1.321 1.00 15.00 C ATOM 821 NE ARG A 57 -7.301 -7.291 1.297 1.00 15.00 N ATOM 822 CZ ARG A 57 -8.320 -8.113 1.538 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.521 -7.626 1.821 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.137 -9.426 1.497 1.00 15.00 N ATOM 0 H ARG A 57 -5.907 -1.145 1.439 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.224 -3.362 2.263 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.786 -3.302 2.227 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.680 -3.376 0.480 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.383 -5.518 0.688 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.608 -5.454 2.425 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.056 -5.533 2.145 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.882 -5.491 0.401 1.00 15.00 H new ATOM 0 HE ARG A 57 -6.392 -7.702 1.083 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.667 -6.617 1.855 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -10.298 -8.260 2.005 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.215 -9.806 1.281 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.918 -10.056 1.682 1.00 15.00 H new ATOM 838 N VAL A 58 -2.743 -3.155 0.215 1.00 15.00 N ATOM 839 CA VAL A 58 -1.915 -3.330 -0.971 1.00 15.00 C ATOM 840 C VAL A 58 -1.769 -4.808 -1.335 1.00 15.00 C ATOM 841 O VAL A 58 -1.164 -5.591 -0.597 1.00 15.00 O ATOM 842 CB VAL A 58 -0.525 -2.673 -0.786 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.657 -1.347 -0.050 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.438 -3.595 -0.050 1.00 15.00 C ATOM 0 H VAL A 58 -2.219 -3.048 1.084 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.420 -2.829 -1.797 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.113 -2.487 -1.778 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.329 -0.899 0.072 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.293 -0.674 -0.624 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.101 -1.518 0.931 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.403 -3.100 0.061 1.00 15.00 H new ATOM 0 HG22 VAL A 58 0.035 -3.830 0.935 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.566 -4.516 -0.619 1.00 15.00 H new ATOM 854 N LEU A 59 -2.353 -5.183 -2.472 1.00 15.00 N ATOM 855 CA LEU A 59 -2.310 -6.566 -2.940 1.00 15.00 C ATOM 856 C LEU A 59 -1.377 -6.754 -4.139 1.00 15.00 C ATOM 857 O LEU A 59 -1.119 -7.884 -4.551 1.00 15.00 O ATOM 858 CB LEU A 59 -3.717 -7.042 -3.305 1.00 15.00 C ATOM 859 CG LEU A 59 -4.738 -6.992 -2.167 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.020 -7.703 -2.572 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.160 -7.611 -0.902 1.00 15.00 C ATOM 0 H LEU A 59 -2.862 -4.547 -3.086 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.913 -7.165 -2.121 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.086 -6.433 -4.130 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.653 -8.067 -3.669 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.973 -5.948 -1.961 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.736 -7.658 -1.751 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.444 -7.216 -3.450 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.800 -8.745 -2.805 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -4.901 -7.566 -0.104 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -3.896 -8.651 -1.094 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.269 -7.060 -0.601 1.00 15.00 H new ATOM 873 N ALA A 60 -0.890 -5.658 -4.719 1.00 15.00 N ATOM 874 CA ALA A 60 -0.012 -5.756 -5.885 1.00 15.00 C ATOM 875 C ALA A 60 0.964 -4.587 -5.983 1.00 15.00 C ATOM 876 O ALA A 60 0.630 -3.449 -5.655 1.00 15.00 O ATOM 877 CB ALA A 60 -0.846 -5.847 -7.154 1.00 15.00 C ATOM 0 H ALA A 60 -1.084 -4.706 -4.407 1.00 15.00 H new ATOM 0 HA ALA A 60 0.584 -6.661 -5.766 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.186 -5.920 -8.019 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.483 -6.730 -7.108 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.467 -4.956 -7.246 1.00 15.00 H new ATOM 883 N VAL A 61 2.168 -4.885 -6.464 1.00 15.00 N ATOM 884 CA VAL A 61 3.212 -3.882 -6.646 1.00 15.00 C ATOM 885 C VAL A 61 3.933 -4.135 -7.958 1.00 15.00 C ATOM 886 O VAL A 61 4.794 -5.009 -8.045 1.00 15.00 O ATOM 887 CB VAL A 61 4.241 -3.895 -5.500 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.222 -2.743 -5.654 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.543 -3.839 -4.151 1.00 15.00 C ATOM 0 H VAL A 61 2.447 -5.827 -6.738 1.00 15.00 H new ATOM 0 HA VAL A 61 2.728 -2.905 -6.651 1.00 15.00 H new ATOM 0 HB VAL A 61 4.802 -4.828 -5.549 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.942 -2.767 -4.836 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.748 -2.838 -6.604 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.680 -1.798 -5.632 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.288 -3.849 -3.355 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.953 -2.925 -4.084 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.887 -4.703 -4.045 1.00 15.00 H new ATOM 899 N ASN A 62 3.552 -3.388 -8.986 1.00 15.00 N ATOM 900 CA ASN A 62 4.141 -3.557 -10.304 1.00 15.00 C ATOM 901 C ASN A 62 3.788 -4.938 -10.858 1.00 15.00 C ATOM 902 O ASN A 62 4.419 -5.424 -11.797 1.00 15.00 O ATOM 903 CB ASN A 62 5.660 -3.372 -10.246 1.00 15.00 C ATOM 904 CG ASN A 62 6.068 -1.916 -10.364 1.00 15.00 C ATOM 905 OD1 ASN A 62 6.939 -1.566 -11.161 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.438 -1.056 -9.568 1.00 15.00 N ATOM 0 H ASN A 62 2.839 -2.661 -8.931 1.00 15.00 H new ATOM 0 HA ASN A 62 3.734 -2.796 -10.970 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.038 -3.778 -9.307 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.124 -3.943 -11.050 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.671 -0.064 -9.604 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.722 -1.389 -8.922 1.00 15.00 H new ATOM 913 N GLY A 63 2.762 -5.557 -10.268 1.00 15.00 N ATOM 914 CA GLY A 63 2.320 -6.867 -10.707 1.00 15.00 C ATOM 915 C GLY A 63 2.678 -7.986 -9.744 1.00 15.00 C ATOM 916 O GLY A 63 2.423 -9.156 -10.033 1.00 15.00 O ATOM 0 H GLY A 63 2.229 -5.168 -9.490 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.239 -6.849 -10.844 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.761 -7.082 -11.680 1.00 15.00 H new ATOM 920 N VAL A 64 3.254 -7.642 -8.595 1.00 15.00 N ATOM 921 CA VAL A 64 3.617 -8.652 -7.607 1.00 15.00 C ATOM 922 C VAL A 64 2.502 -8.829 -6.576 1.00 15.00 C ATOM 923 O VAL A 64 2.304 -7.986 -5.702 1.00 15.00 O ATOM 924 CB VAL A 64 4.949 -8.313 -6.896 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.764 -7.221 -5.854 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.547 -9.561 -6.266 1.00 15.00 C ATOM 0 H VAL A 64 3.477 -6.683 -8.328 1.00 15.00 H new ATOM 0 HA VAL A 64 3.755 -9.590 -8.145 1.00 15.00 H new ATOM 0 HB VAL A 64 5.641 -7.935 -7.648 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.720 -7.009 -5.375 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.392 -6.317 -6.336 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.048 -7.553 -5.103 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.483 -9.305 -5.770 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.849 -9.970 -5.535 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.738 -10.304 -7.041 1.00 15.00 H new ATOM 936 N SER A 65 1.768 -9.930 -6.691 1.00 15.00 N ATOM 937 CA SER A 65 0.669 -10.215 -5.775 1.00 15.00 C ATOM 938 C SER A 65 1.154 -10.235 -4.330 1.00 15.00 C ATOM 939 O SER A 65 2.187 -10.827 -4.018 1.00 15.00 O ATOM 940 CB SER A 65 0.020 -11.556 -6.126 1.00 15.00 C ATOM 941 OG SER A 65 -1.376 -11.525 -5.889 1.00 15.00 O ATOM 0 H SER A 65 1.914 -10.640 -7.409 1.00 15.00 H new ATOM 0 HA SER A 65 -0.071 -9.422 -5.879 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.209 -11.792 -7.173 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.475 -12.350 -5.533 1.00 15.00 H new ATOM 0 HG SER A 65 -1.767 -12.393 -6.123 1.00 15.00 H new ATOM 947 N LEU A 66 0.401 -9.582 -3.451 1.00 15.00 N ATOM 948 CA LEU A 66 0.750 -9.522 -2.038 1.00 15.00 C ATOM 949 C LEU A 66 0.177 -10.717 -1.281 1.00 15.00 C ATOM 950 O LEU A 66 0.636 -11.046 -0.188 1.00 15.00 O ATOM 951 CB LEU A 66 0.242 -8.218 -1.420 1.00 15.00 C ATOM 952 CG LEU A 66 1.225 -7.525 -0.475 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.695 -8.488 0.606 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.410 -6.970 -1.253 1.00 15.00 C ATOM 0 H LEU A 66 -0.457 -9.086 -3.694 1.00 15.00 H new ATOM 0 HA LEU A 66 1.837 -9.554 -1.958 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.014 -7.528 -2.224 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.678 -8.426 -0.874 1.00 15.00 H new ATOM 0 HG LEU A 66 0.712 -6.693 0.008 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.394 -7.978 1.269 1.00 15.00 H new ATOM 0 HD12 LEU A 66 0.837 -8.836 1.181 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.191 -9.341 0.143 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.100 -6.480 -0.565 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.924 -7.785 -1.763 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.056 -6.247 -1.988 1.00 15.00 H new ATOM 966 N GLU A 67 -0.828 -11.366 -1.869 1.00 15.00 N ATOM 967 CA GLU A 67 -1.460 -12.526 -1.246 1.00 15.00 C ATOM 968 C GLU A 67 -0.410 -13.505 -0.728 1.00 15.00 C ATOM 969 O GLU A 67 0.100 -14.339 -1.476 1.00 15.00 O ATOM 970 CB GLU A 67 -2.381 -13.229 -2.245 1.00 15.00 C ATOM 971 CG GLU A 67 -3.397 -12.301 -2.893 1.00 15.00 C ATOM 972 CD GLU A 67 -4.829 -12.697 -2.588 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.186 -13.869 -2.833 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.593 -11.836 -2.103 1.00 15.00 O ATOM 0 H GLU A 67 -1.221 -11.108 -2.774 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.052 -12.176 -0.401 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -1.774 -13.690 -3.024 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.910 -14.034 -1.735 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.225 -11.282 -2.547 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.246 -12.301 -3.973 1.00 15.00 H new ATOM 981 N GLY A 68 -0.088 -13.389 0.555 1.00 15.00 N ATOM 982 CA GLY A 68 0.905 -14.261 1.153 1.00 15.00 C ATOM 983 C GLY A 68 2.194 -13.530 1.468 1.00 15.00 C ATOM 984 O GLY A 68 3.232 -13.797 0.863 1.00 15.00 O ATOM 0 H GLY A 68 -0.497 -12.706 1.192 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.502 -14.694 2.069 1.00 15.00 H new ATOM 0 HA3 GLY A 68 1.115 -15.088 0.475 1.00 15.00 H new ATOM 988 N ALA A 69 2.127 -12.601 2.417 1.00 15.00 N ATOM 989 CA ALA A 69 3.294 -11.824 2.813 1.00 15.00 C ATOM 990 C ALA A 69 2.986 -10.958 4.031 1.00 15.00 C ATOM 991 O ALA A 69 1.834 -10.603 4.278 1.00 15.00 O ATOM 992 CB ALA A 69 3.770 -10.961 1.653 1.00 15.00 C ATOM 0 H ALA A 69 1.274 -12.369 2.926 1.00 15.00 H new ATOM 0 HA ALA A 69 4.090 -12.517 3.085 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.643 -10.385 1.962 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.036 -11.599 0.810 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.973 -10.280 1.355 1.00 15.00 H new ATOM 998 N THR A 70 4.023 -10.630 4.792 1.00 15.00 N ATOM 999 CA THR A 70 3.866 -9.814 5.989 1.00 15.00 C ATOM 1000 C THR A 70 4.077 -8.333 5.685 1.00 15.00 C ATOM 1001 O THR A 70 4.184 -7.931 4.526 1.00 15.00 O ATOM 1002 CB THR A 70 4.852 -10.265 7.067 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.160 -9.807 6.772 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.917 -11.768 7.230 1.00 15.00 C ATOM 0 H THR A 70 4.983 -10.917 4.601 1.00 15.00 H new ATOM 0 HA THR A 70 2.846 -9.946 6.350 1.00 15.00 H new ATOM 0 HB THR A 70 4.481 -9.832 7.996 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.777 -10.104 7.474 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.635 -12.019 8.011 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.933 -12.147 7.507 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.229 -12.223 6.290 1.00 15.00 H new ATOM 1012 N HIS A 71 4.140 -7.533 6.743 1.00 15.00 N ATOM 1013 CA HIS A 71 4.343 -6.094 6.626 1.00 15.00 C ATOM 1014 C HIS A 71 5.639 -5.809 5.887 1.00 15.00 C ATOM 1015 O HIS A 71 5.643 -5.215 4.810 1.00 15.00 O ATOM 1016 CB HIS A 71 4.361 -5.473 8.032 1.00 15.00 C ATOM 1017 CG HIS A 71 4.992 -4.116 8.140 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.230 -3.508 9.355 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.415 -3.241 7.197 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.767 -2.320 9.156 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.893 -2.135 7.855 1.00 15.00 N ATOM 0 H HIS A 71 4.052 -7.863 7.704 1.00 15.00 H new ATOM 0 HA HIS A 71 3.528 -5.650 6.055 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.334 -5.405 8.391 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.889 -6.152 8.702 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.023 -3.915 10.267 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.382 -3.386 6.127 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.054 -1.619 9.925 1.00 15.00 H new ATOM 1030 N LYS A 72 6.733 -6.250 6.479 1.00 15.00 N ATOM 1031 CA LYS A 72 8.052 -6.067 5.895 1.00 15.00 C ATOM 1032 C LYS A 72 8.093 -6.585 4.462 1.00 15.00 C ATOM 1033 O LYS A 72 8.757 -6.008 3.602 1.00 15.00 O ATOM 1034 CB LYS A 72 9.092 -6.790 6.747 1.00 15.00 C ATOM 1035 CG LYS A 72 10.525 -6.399 6.427 1.00 15.00 C ATOM 1036 CD LYS A 72 11.516 -7.396 7.007 1.00 15.00 C ATOM 1037 CE LYS A 72 11.697 -8.599 6.095 1.00 15.00 C ATOM 1038 NZ LYS A 72 13.109 -8.751 5.649 1.00 15.00 N ATOM 0 H LYS A 72 6.735 -6.742 7.372 1.00 15.00 H new ATOM 0 HA LYS A 72 8.278 -5.001 5.873 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.895 -6.582 7.799 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.979 -7.865 6.608 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.655 -6.341 5.346 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.730 -5.406 6.826 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.478 -6.907 7.160 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.168 -7.729 7.985 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.383 -9.502 6.619 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.050 -8.494 5.224 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.190 -9.582 5.029 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 13.402 -7.900 5.127 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.723 -8.877 6.479 1.00 15.00 H new ATOM 1052 N GLN A 73 7.376 -7.677 4.209 1.00 15.00 N ATOM 1053 CA GLN A 73 7.334 -8.265 2.876 1.00 15.00 C ATOM 1054 C GLN A 73 6.795 -7.256 1.875 1.00 15.00 C ATOM 1055 O GLN A 73 7.465 -6.917 0.899 1.00 15.00 O ATOM 1056 CB GLN A 73 6.472 -9.526 2.873 1.00 15.00 C ATOM 1057 CG GLN A 73 7.126 -10.702 3.577 1.00 15.00 C ATOM 1058 CD GLN A 73 6.685 -12.040 3.015 1.00 15.00 C ATOM 1059 OE1 GLN A 73 6.181 -12.896 3.743 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.874 -12.228 1.714 1.00 15.00 N ATOM 0 H GLN A 73 6.819 -8.170 4.907 1.00 15.00 H new ATOM 0 HA GLN A 73 8.348 -8.540 2.587 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.519 -9.307 3.355 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.252 -9.805 1.843 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.209 -10.615 3.490 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.887 -10.662 4.640 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.295 -11.491 1.148 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.598 -13.109 1.281 1.00 15.00 H new ATOM 1069 N ALA A 74 5.591 -6.758 2.131 1.00 15.00 N ATOM 1070 CA ALA A 74 4.989 -5.766 1.253 1.00 15.00 C ATOM 1071 C ALA A 74 5.831 -4.500 1.256 1.00 15.00 C ATOM 1072 O ALA A 74 6.108 -3.925 0.205 1.00 15.00 O ATOM 1073 CB ALA A 74 3.567 -5.459 1.676 1.00 15.00 C ATOM 0 H ALA A 74 5.018 -7.023 2.932 1.00 15.00 H new ATOM 0 HA ALA A 74 4.956 -6.170 0.241 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.140 -4.715 1.004 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.970 -6.370 1.635 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.566 -5.071 2.694 1.00 15.00 H new ATOM 1079 N VAL A 75 6.265 -4.091 2.449 1.00 15.00 N ATOM 1080 CA VAL A 75 7.115 -2.914 2.595 1.00 15.00 C ATOM 1081 C VAL A 75 8.184 -2.945 1.516 1.00 15.00 C ATOM 1082 O VAL A 75 8.477 -1.938 0.874 1.00 15.00 O ATOM 1083 CB VAL A 75 7.766 -2.886 4.001 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.285 -2.995 3.932 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.359 -1.643 4.767 1.00 15.00 C ATOM 0 H VAL A 75 6.040 -4.559 3.327 1.00 15.00 H new ATOM 0 HA VAL A 75 6.512 -2.013 2.487 1.00 15.00 H new ATOM 0 HB VAL A 75 7.397 -3.761 4.537 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.698 -2.971 4.941 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.561 -3.932 3.449 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.684 -2.159 3.357 1.00 15.00 H new ATOM 0 HG21 VAL A 75 7.831 -1.650 5.750 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.678 -0.757 4.218 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.276 -1.627 4.885 1.00 15.00 H new ATOM 1095 N GLU A 76 8.736 -4.132 1.313 1.00 15.00 N ATOM 1096 CA GLU A 76 9.749 -4.339 0.299 1.00 15.00 C ATOM 1097 C GLU A 76 9.152 -4.173 -1.096 1.00 15.00 C ATOM 1098 O GLU A 76 9.761 -3.554 -1.962 1.00 15.00 O ATOM 1099 CB GLU A 76 10.372 -5.729 0.443 1.00 15.00 C ATOM 1100 CG GLU A 76 11.131 -5.921 1.747 1.00 15.00 C ATOM 1101 CD GLU A 76 11.291 -7.383 2.117 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.079 -8.082 1.447 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.628 -7.827 3.078 1.00 15.00 O ATOM 0 H GLU A 76 8.495 -4.969 1.843 1.00 15.00 H new ATOM 0 HA GLU A 76 10.529 -3.590 0.435 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.585 -6.480 0.376 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.050 -5.903 -0.392 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.116 -5.462 1.661 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.606 -5.402 2.549 1.00 15.00 H new ATOM 1110 N THR A 77 7.957 -4.728 -1.316 1.00 15.00 N ATOM 1111 CA THR A 77 7.307 -4.623 -2.621 1.00 15.00 C ATOM 1112 C THR A 77 6.974 -3.174 -2.965 1.00 15.00 C ATOM 1113 O THR A 77 7.394 -2.665 -4.004 1.00 15.00 O ATOM 1114 CB THR A 77 6.042 -5.476 -2.680 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.130 -5.104 -1.664 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.310 -6.959 -2.543 1.00 15.00 C ATOM 0 H THR A 77 7.427 -5.248 -0.616 1.00 15.00 H new ATOM 0 HA THR A 77 8.015 -4.998 -3.360 1.00 15.00 H new ATOM 0 HB THR A 77 5.621 -5.291 -3.668 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.594 -4.566 -0.989 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.368 -7.505 -2.594 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.963 -7.287 -3.351 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.792 -7.155 -1.585 1.00 15.00 H new ATOM 1124 N LEU A 78 6.219 -2.510 -2.090 1.00 15.00 N ATOM 1125 CA LEU A 78 5.841 -1.116 -2.320 1.00 15.00 C ATOM 1126 C LEU A 78 7.081 -0.278 -2.586 1.00 15.00 C ATOM 1127 O LEU A 78 7.129 0.507 -3.533 1.00 15.00 O ATOM 1128 CB LEU A 78 5.089 -0.543 -1.113 1.00 15.00 C ATOM 1129 CG LEU A 78 4.132 -1.508 -0.410 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.323 -0.775 0.650 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.210 -2.179 -1.417 1.00 15.00 C ATOM 0 H LEU A 78 5.860 -2.910 -1.223 1.00 15.00 H new ATOM 0 HA LEU A 78 5.183 -1.084 -3.188 1.00 15.00 H new ATOM 0 HB2 LEU A 78 5.821 -0.191 -0.386 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.522 0.328 -1.441 1.00 15.00 H new ATOM 0 HG LEU A 78 4.723 -2.282 0.080 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.647 -1.475 1.141 1.00 15.00 H new ATOM 0 HD12 LEU A 78 3.998 -0.344 1.389 1.00 15.00 H new ATOM 0 HD13 LEU A 78 2.743 0.020 0.180 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.538 -2.861 -0.897 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.626 -1.420 -1.937 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.805 -2.737 -2.140 1.00 15.00 H new ATOM 1143 N ARG A 79 8.084 -0.465 -1.743 1.00 15.00 N ATOM 1144 CA ARG A 79 9.340 0.253 -1.871 1.00 15.00 C ATOM 1145 C ARG A 79 10.096 -0.200 -3.119 1.00 15.00 C ATOM 1146 O ARG A 79 10.391 0.603 -4.004 1.00 15.00 O ATOM 1147 CB ARG A 79 10.188 0.026 -0.619 1.00 15.00 C ATOM 1148 CG ARG A 79 11.097 1.195 -0.276 1.00 15.00 C ATOM 1149 CD ARG A 79 10.354 2.268 0.504 1.00 15.00 C ATOM 1150 NE ARG A 79 9.859 1.769 1.785 1.00 15.00 N ATOM 1151 CZ ARG A 79 10.621 1.614 2.865 1.00 15.00 C ATOM 1152 NH1 ARG A 79 11.912 1.918 2.823 1.00 15.00 N ATOM 1153 NH2 ARG A 79 10.091 1.155 3.990 1.00 15.00 N ATOM 0 H ARG A 79 8.051 -1.114 -0.957 1.00 15.00 H new ATOM 0 HA ARG A 79 9.131 1.318 -1.973 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.528 -0.169 0.226 1.00 15.00 H new ATOM 0 HB3 ARG A 79 10.797 -0.867 -0.760 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.944 0.839 0.310 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.501 1.624 -1.193 1.00 15.00 H new ATOM 0 HD2 ARG A 79 11.017 3.116 0.677 1.00 15.00 H new ATOM 0 HD3 ARG A 79 9.517 2.634 -0.090 1.00 15.00 H new ATOM 0 HE ARG A 79 8.871 1.525 1.856 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.325 2.272 1.960 1.00 15.00 H new ATOM 0 HH12 ARG A 79 12.492 1.797 3.654 1.00 15.00 H new ATOM 0 HH21 ARG A 79 9.099 0.921 4.028 1.00 15.00 H new ATOM 0 HH22 ARG A 79 10.675 1.036 4.818 1.00 15.00 H new ATOM 1167 N ASN A 80 10.404 -1.493 -3.178 1.00 15.00 N ATOM 1168 CA ASN A 80 11.124 -2.072 -4.311 1.00 15.00 C ATOM 1169 C ASN A 80 10.299 -2.018 -5.597 1.00 15.00 C ATOM 1170 O ASN A 80 9.964 -3.056 -6.170 1.00 15.00 O ATOM 1171 CB ASN A 80 11.503 -3.524 -4.011 1.00 15.00 C ATOM 1172 CG ASN A 80 12.354 -3.654 -2.763 1.00 15.00 C ATOM 1173 OD1 ASN A 80 12.386 -2.756 -1.922 1.00 15.00 O ATOM 1174 ND2 ASN A 80 13.051 -4.778 -2.636 1.00 15.00 N ATOM 0 H ASN A 80 10.164 -2.165 -2.449 1.00 15.00 H new ATOM 0 HA ASN A 80 12.025 -1.477 -4.460 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.596 -4.116 -3.892 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.045 -3.938 -4.861 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.642 -4.922 -1.817 1.00 15.00 H new ATOM 0 HD22 ASN A 80 12.995 -5.497 -3.357 1.00 15.00 H new ATOM 1181 N THR A 81 9.983 -0.815 -6.058 1.00 15.00 N ATOM 1182 CA THR A 81 9.211 -0.659 -7.286 1.00 15.00 C ATOM 1183 C THR A 81 10.145 -0.530 -8.487 1.00 15.00 C ATOM 1184 O THR A 81 10.286 -1.463 -9.277 1.00 15.00 O ATOM 1185 CB THR A 81 8.285 0.557 -7.193 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.608 1.350 -6.064 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.820 0.185 -7.088 1.00 15.00 C ATOM 0 H THR A 81 10.246 0.061 -5.606 1.00 15.00 H new ATOM 0 HA THR A 81 8.594 -1.547 -7.419 1.00 15.00 H new ATOM 0 HB THR A 81 8.439 1.109 -8.120 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.091 1.043 -5.290 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.218 1.092 -7.025 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.526 -0.386 -7.969 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.661 -0.419 -6.194 1.00 15.00 H new ATOM 1195 N GLY A 82 10.788 0.626 -8.612 1.00 15.00 N ATOM 1196 CA GLY A 82 11.708 0.848 -9.710 1.00 15.00 C ATOM 1197 C GLY A 82 11.313 2.028 -10.573 1.00 15.00 C ATOM 1198 O GLY A 82 11.517 3.181 -10.198 1.00 15.00 O ATOM 0 H GLY A 82 10.688 1.413 -7.971 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.709 1.013 -9.312 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.754 -0.049 -10.327 1.00 15.00 H new ATOM 1202 N GLN A 83 10.751 1.734 -11.735 1.00 15.00 N ATOM 1203 CA GLN A 83 10.325 2.776 -12.666 1.00 15.00 C ATOM 1204 C GLN A 83 9.193 3.615 -12.071 1.00 15.00 C ATOM 1205 O GLN A 83 9.436 4.654 -11.457 1.00 15.00 O ATOM 1206 CB GLN A 83 9.894 2.168 -14.010 1.00 15.00 C ATOM 1207 CG GLN A 83 9.239 0.799 -13.895 1.00 15.00 C ATOM 1208 CD GLN A 83 8.044 0.646 -14.815 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.439 1.632 -15.234 1.00 15.00 O ATOM 1210 NE2 GLN A 83 7.697 -0.596 -15.133 1.00 15.00 N ATOM 0 H GLN A 83 10.578 0.783 -12.059 1.00 15.00 H new ATOM 0 HA GLN A 83 11.178 3.431 -12.844 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.199 2.851 -14.498 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.768 2.087 -14.656 1.00 15.00 H new ATOM 0 HG2 GLN A 83 9.973 0.028 -14.128 1.00 15.00 H new ATOM 0 HG3 GLN A 83 8.923 0.637 -12.865 1.00 15.00 H new ATOM 0 HE21 GLN A 83 8.227 -1.384 -14.762 1.00 15.00 H new ATOM 0 HE22 GLN A 83 6.900 -0.761 -15.748 1.00 15.00 H new ATOM 1219 N VAL A 84 7.956 3.160 -12.258 1.00 15.00 N ATOM 1220 CA VAL A 84 6.787 3.860 -11.744 1.00 15.00 C ATOM 1221 C VAL A 84 6.148 3.073 -10.600 1.00 15.00 C ATOM 1222 O VAL A 84 6.390 1.876 -10.444 1.00 15.00 O ATOM 1223 CB VAL A 84 5.749 4.092 -12.865 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.478 4.728 -12.322 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.347 4.956 -13.962 1.00 15.00 C ATOM 0 H VAL A 84 7.739 2.303 -12.766 1.00 15.00 H new ATOM 0 HA VAL A 84 7.116 4.828 -11.366 1.00 15.00 H new ATOM 0 HB VAL A 84 5.482 3.121 -13.283 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.769 4.877 -13.137 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.035 4.073 -11.571 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.717 5.690 -11.868 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.606 5.113 -14.746 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.644 5.919 -13.546 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.221 4.458 -14.382 1.00 15.00 H new ATOM 1235 N VAL A 85 5.325 3.745 -9.809 1.00 15.00 N ATOM 1236 CA VAL A 85 4.657 3.099 -8.691 1.00 15.00 C ATOM 1237 C VAL A 85 3.242 2.685 -9.085 1.00 15.00 C ATOM 1238 O VAL A 85 2.276 3.403 -8.835 1.00 15.00 O ATOM 1239 CB VAL A 85 4.615 4.027 -7.450 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.474 3.660 -6.509 1.00 15.00 C ATOM 1241 CG2 VAL A 85 5.943 3.986 -6.710 1.00 15.00 C ATOM 0 H VAL A 85 5.105 4.735 -9.921 1.00 15.00 H new ATOM 0 HA VAL A 85 5.228 2.208 -8.429 1.00 15.00 H new ATOM 0 HB VAL A 85 4.437 5.042 -7.806 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.478 4.333 -5.652 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.524 3.750 -7.036 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.602 2.634 -6.165 1.00 15.00 H new ATOM 0 HG21 VAL A 85 5.896 4.643 -5.842 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.146 2.966 -6.383 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.740 4.319 -7.374 1.00 15.00 H new ATOM 1251 N HIS A 86 3.138 1.514 -9.703 1.00 15.00 N ATOM 1252 CA HIS A 86 1.849 0.981 -10.130 1.00 15.00 C ATOM 1253 C HIS A 86 1.371 -0.078 -9.145 1.00 15.00 C ATOM 1254 O HIS A 86 1.567 -1.275 -9.357 1.00 15.00 O ATOM 1255 CB HIS A 86 1.955 0.386 -11.534 1.00 15.00 C ATOM 1256 CG HIS A 86 0.628 0.123 -12.176 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.455 0.967 -12.040 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.212 -0.896 -12.965 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.479 0.477 -12.716 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.100 -0.652 -13.286 1.00 15.00 N ATOM 0 H HIS A 86 3.933 0.914 -9.920 1.00 15.00 H new ATOM 0 HA HIS A 86 1.125 1.796 -10.154 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.526 1.066 -12.166 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.516 -0.547 -11.483 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.802 -1.743 -13.282 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.459 0.924 -12.790 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.687 -1.247 -13.870 1.00 15.00 H new ATOM 1269 N LEU A 87 0.762 0.377 -8.058 1.00 15.00 N ATOM 1270 CA LEU A 87 0.273 -0.519 -7.018 1.00 15.00 C ATOM 1271 C LEU A 87 -1.240 -0.688 -7.075 1.00 15.00 C ATOM 1272 O LEU A 87 -1.983 0.287 -7.036 1.00 15.00 O ATOM 1273 CB LEU A 87 0.674 0.021 -5.645 1.00 15.00 C ATOM 1274 CG LEU A 87 1.646 -0.858 -4.867 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.815 -0.036 -4.343 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.925 -1.556 -3.725 1.00 15.00 C ATOM 0 H LEU A 87 0.594 1.366 -7.873 1.00 15.00 H new ATOM 0 HA LEU A 87 0.724 -1.497 -7.186 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.122 1.006 -5.775 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.227 0.158 -5.047 1.00 15.00 H new ATOM 0 HG LEU A 87 2.043 -1.617 -5.542 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.496 -0.683 -3.791 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.345 0.418 -5.180 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.442 0.746 -3.682 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.630 -2.181 -3.177 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.502 -0.810 -3.052 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.125 -2.178 -4.126 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.690 -1.935 -7.136 1.00 15.00 N ATOM 1289 CA LEU A 88 -3.117 -2.232 -7.162 1.00 15.00 C ATOM 1290 C LEU A 88 -3.561 -2.700 -5.784 1.00 15.00 C ATOM 1291 O LEU A 88 -3.333 -3.848 -5.403 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.424 -3.301 -8.214 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.639 -2.771 -9.635 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.611 -1.700 -9.971 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.572 -3.910 -10.641 1.00 15.00 C ATOM 0 H LEU A 88 -1.087 -2.757 -7.168 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.665 -1.328 -7.428 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.604 -4.018 -8.231 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.317 -3.845 -7.907 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.630 -2.320 -9.688 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.782 -1.337 -10.985 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.705 -0.872 -9.268 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.609 -2.123 -9.901 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.727 -3.517 -11.646 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.594 -4.388 -10.585 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.347 -4.642 -10.414 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.170 -1.796 -5.028 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.615 -2.112 -3.677 1.00 15.00 C ATOM 1309 C LEU A 89 -6.126 -2.284 -3.599 1.00 15.00 C ATOM 1310 O LEU A 89 -6.808 -2.461 -4.608 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.196 -1.014 -2.696 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.213 0.013 -3.231 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.218 1.236 -2.342 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.827 -0.587 -3.307 1.00 15.00 C ATOM 0 H LEU A 89 -4.367 -0.841 -5.326 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.140 -3.055 -3.407 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.092 -0.491 -2.361 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.756 -1.487 -1.818 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.513 0.311 -4.236 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.512 1.970 -2.729 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.218 1.669 -2.324 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.928 0.952 -1.331 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.129 0.157 -3.692 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.511 -0.901 -2.312 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.840 -1.450 -3.972 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.632 -2.204 -2.373 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.057 -2.319 -2.104 1.00 15.00 C ATOM 1328 C GLU A 90 -8.456 -1.308 -1.033 1.00 15.00 C ATOM 1329 O GLU A 90 -7.777 -1.172 -0.016 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.406 -3.750 -1.667 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.438 -3.833 -0.550 1.00 15.00 C ATOM 1332 CD GLU A 90 -10.141 -5.176 -0.503 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.530 -6.181 -0.925 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.301 -5.223 -0.045 1.00 15.00 O ATOM 0 H GLU A 90 -6.064 -2.057 -1.539 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.615 -2.103 -3.015 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.779 -4.300 -2.531 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.494 -4.250 -1.340 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -8.948 -3.650 0.406 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.178 -3.044 -0.685 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.553 -0.596 -1.268 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.029 0.408 -0.322 1.00 15.00 C ATOM 1343 C LYS A 91 -10.085 -0.157 1.097 1.00 15.00 C ATOM 1344 O LYS A 91 -11.075 -0.771 1.494 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.407 0.921 -0.745 1.00 15.00 C ATOM 1346 CG LYS A 91 -11.443 2.417 -1.016 1.00 15.00 C ATOM 1347 CD LYS A 91 -10.928 3.217 0.171 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.264 4.509 -0.276 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.230 5.640 -0.337 1.00 15.00 N ATOM 0 H LYS A 91 -10.129 -0.695 -2.104 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.325 1.240 -0.326 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.723 0.390 -1.643 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.129 0.684 0.036 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -10.840 2.642 -1.896 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.465 2.721 -1.244 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.755 3.445 0.844 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.215 2.616 0.735 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -9.456 4.759 0.412 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -9.813 4.364 -1.258 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -10.737 6.502 -0.646 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.987 5.414 -1.013 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.642 5.796 0.605 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.011 0.054 1.851 1.00 15.00 N ATOM 1364 CA GLY A 92 -8.947 -0.440 3.214 1.00 15.00 C ATOM 1365 C GLY A 92 -9.846 0.332 4.160 1.00 15.00 C ATOM 1366 O GLY A 92 -9.371 1.151 4.947 1.00 15.00 O ATOM 0 H GLY A 92 -8.181 0.560 1.541 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.230 -1.492 3.228 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -7.918 -0.382 3.569 1.00 15.00 H new