USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 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+ -158:sc= -1.95 (180deg=-2.95!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -130:sc= -2.49 USER MOD Single : A 27 ASN : amide:sc= 0.0935 K(o=0.094,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0752 USER MOD Single : A 32 HIS : no HD1:sc= 1.22 K(o=1.2,f=-4.7!) USER MOD Single : A 36 TYR OH : rot 165:sc= -1.3 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00332 X(o=-0.0033,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.2) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= 0.0555 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.89! C(o=-4.9!,f=-3.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 71 HIS : no HE2:sc= -5.39! C(o=-5.4!,f=-6.2!) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc=0.000766 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -3.2! C(o=-3.2!,f=-7.3!) USER MOD Single : A 77 THR OG1 : rot -20:sc= -3.08 USER MOD Single : A 80 ASN : amide:sc= 1.02 K(o=1,f=-0.5) USER MOD Single : A 81 THR OG1 : rot -91:sc= 0.136 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.00044) USER MOD Single : A 86 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.22) USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= -1.31 (180deg=-1.73) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.672 -2.092 -5.728 1.00 15.00 N ATOM 73 CA ILE A 6 -10.225 -2.099 -5.835 1.00 15.00 C ATOM 74 C ILE A 6 -9.722 -0.862 -6.574 1.00 15.00 C ATOM 75 O ILE A 6 -10.325 -0.425 -7.554 1.00 15.00 O ATOM 76 CB ILE A 6 -9.749 -3.372 -6.570 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.249 -4.411 -5.565 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.660 -3.051 -7.591 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.358 -5.062 -4.768 1.00 15.00 C ATOM 0 HA ILE A 6 -9.815 -2.089 -4.825 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.601 -3.785 -7.110 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.694 -5.183 -6.098 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.551 -3.933 -4.878 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.347 -3.968 -8.090 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -9.049 -2.350 -8.330 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.805 -2.605 -7.083 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.931 -5.787 -4.076 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.899 -4.300 -4.207 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.044 -5.569 -5.446 1.00 15.00 H new ATOM 91 N PHE A 7 -8.604 -0.317 -6.112 1.00 15.00 N ATOM 92 CA PHE A 7 -8.014 0.852 -6.747 1.00 15.00 C ATOM 93 C PHE A 7 -6.494 0.732 -6.783 1.00 15.00 C ATOM 94 O PHE A 7 -5.897 0.041 -5.958 1.00 15.00 O ATOM 95 CB PHE A 7 -8.448 2.140 -6.034 1.00 15.00 C ATOM 96 CG PHE A 7 -7.666 2.460 -4.788 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.364 2.931 -4.871 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.238 2.300 -3.537 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.649 3.234 -3.729 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.527 2.604 -2.391 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.231 3.071 -2.488 1.00 15.00 C ATOM 0 H PHE A 7 -8.090 -0.665 -5.303 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.375 0.902 -7.774 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.355 2.974 -6.730 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.503 2.058 -5.774 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -5.904 3.062 -5.839 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.251 1.934 -3.456 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.635 3.598 -3.807 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.985 2.476 -1.421 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.674 3.308 -1.594 1.00 15.00 H new ATOM 111 N GLU A 8 -5.875 1.395 -7.753 1.00 15.00 N ATOM 112 CA GLU A 8 -4.425 1.347 -7.907 1.00 15.00 C ATOM 113 C GLU A 8 -3.798 2.732 -7.788 1.00 15.00 C ATOM 114 O GLU A 8 -4.351 3.727 -8.258 1.00 15.00 O ATOM 115 CB GLU A 8 -4.067 0.746 -9.264 1.00 15.00 C ATOM 116 CG GLU A 8 -4.764 1.425 -10.427 1.00 15.00 C ATOM 117 CD GLU A 8 -4.590 0.675 -11.733 1.00 15.00 C ATOM 118 OE1 GLU A 8 -4.632 -0.573 -11.711 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.412 1.337 -12.777 1.00 15.00 O ATOM 0 H GLU A 8 -6.354 1.972 -8.445 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.029 0.724 -7.105 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -2.989 0.811 -9.409 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.325 -0.313 -9.263 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.827 1.517 -10.204 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.373 2.436 -10.539 1.00 15.00 H new ATOM 126 N VAL A 9 -2.626 2.771 -7.174 1.00 15.00 N ATOM 127 CA VAL A 9 -1.875 4.010 -6.996 1.00 15.00 C ATOM 128 C VAL A 9 -0.753 4.082 -8.021 1.00 15.00 C ATOM 129 O VAL A 9 0.136 3.231 -8.039 1.00 15.00 O ATOM 130 CB VAL A 9 -1.295 4.136 -5.560 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.295 2.788 -4.853 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.112 4.723 -5.577 1.00 15.00 C ATOM 0 H VAL A 9 -2.167 1.948 -6.785 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.564 4.842 -7.144 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.940 4.819 -5.007 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.884 2.903 -3.850 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.316 2.412 -4.786 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.685 2.082 -5.416 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.488 4.797 -4.556 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.769 4.077 -6.159 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.087 5.715 -6.028 1.00 15.00 H new ATOM 142 N GLU A 10 -0.807 5.086 -8.883 1.00 15.00 N ATOM 143 CA GLU A 10 0.201 5.246 -9.919 1.00 15.00 C ATOM 144 C GLU A 10 1.158 6.395 -9.616 1.00 15.00 C ATOM 145 O GLU A 10 1.105 7.446 -10.256 1.00 15.00 O ATOM 146 CB GLU A 10 -0.482 5.465 -11.264 1.00 15.00 C ATOM 147 CG GLU A 10 0.484 5.692 -12.415 1.00 15.00 C ATOM 148 CD GLU A 10 -0.156 5.455 -13.769 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.229 4.817 -13.815 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.415 5.907 -14.783 1.00 15.00 O ATOM 0 H GLU A 10 -1.536 5.800 -8.886 1.00 15.00 H new ATOM 0 HA GLU A 10 0.797 4.334 -9.952 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.104 4.599 -11.490 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.148 6.324 -11.187 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.863 6.713 -12.370 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.341 5.028 -12.301 1.00 15.00 H new ATOM 157 N LEU A 11 2.046 6.181 -8.652 1.00 15.00 N ATOM 158 CA LEU A 11 3.031 7.192 -8.284 1.00 15.00 C ATOM 159 C LEU A 11 4.281 7.037 -9.141 1.00 15.00 C ATOM 160 O LEU A 11 4.503 5.987 -9.736 1.00 15.00 O ATOM 161 CB LEU A 11 3.394 7.083 -6.802 1.00 15.00 C ATOM 162 CG LEU A 11 3.795 8.400 -6.128 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.626 9.373 -6.102 1.00 15.00 C ATOM 164 CD2 LEU A 11 4.305 8.142 -4.717 1.00 15.00 C ATOM 0 H LEU A 11 2.104 5.318 -8.112 1.00 15.00 H new ATOM 0 HA LEU A 11 2.596 8.176 -8.459 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.542 6.664 -6.266 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.216 6.375 -6.697 1.00 15.00 H new ATOM 0 HG LEU A 11 4.599 8.850 -6.711 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.935 10.300 -5.619 1.00 15.00 H new ATOM 0 HD12 LEU A 11 2.306 9.585 -7.122 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.798 8.933 -5.546 1.00 15.00 H new ATOM 0 HD21 LEU A 11 4.585 9.088 -4.253 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.521 7.667 -4.128 1.00 15.00 H new ATOM 0 HD23 LEU A 11 5.175 7.486 -4.759 1.00 15.00 H new ATOM 176 N ALA A 12 5.088 8.085 -9.214 1.00 15.00 N ATOM 177 CA ALA A 12 6.308 8.046 -10.014 1.00 15.00 C ATOM 178 C ALA A 12 7.534 7.720 -9.165 1.00 15.00 C ATOM 179 O ALA A 12 8.143 8.611 -8.573 1.00 15.00 O ATOM 180 CB ALA A 12 6.505 9.366 -10.742 1.00 15.00 C ATOM 0 H ALA A 12 4.924 8.969 -8.733 1.00 15.00 H new ATOM 0 HA ALA A 12 6.195 7.247 -10.747 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.419 9.322 -11.334 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.655 9.549 -11.399 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.583 10.174 -10.015 1.00 15.00 H new ATOM 186 N LYS A 13 7.897 6.441 -9.116 1.00 15.00 N ATOM 187 CA LYS A 13 9.062 5.994 -8.347 1.00 15.00 C ATOM 188 C LYS A 13 10.381 6.537 -8.910 1.00 15.00 C ATOM 189 O LYS A 13 11.428 5.908 -8.759 1.00 15.00 O ATOM 190 CB LYS A 13 9.120 4.467 -8.317 1.00 15.00 C ATOM 191 CG LYS A 13 10.227 3.900 -7.432 1.00 15.00 C ATOM 192 CD LYS A 13 10.506 4.780 -6.220 1.00 15.00 C ATOM 193 CE LYS A 13 9.401 4.668 -5.181 1.00 15.00 C ATOM 194 NZ LYS A 13 8.594 5.915 -5.087 1.00 15.00 N ATOM 0 H LYS A 13 7.402 5.692 -9.600 1.00 15.00 H new ATOM 0 HA LYS A 13 8.942 6.388 -7.338 1.00 15.00 H new ATOM 0 HB2 LYS A 13 8.160 4.085 -7.969 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.259 4.100 -9.334 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.945 2.902 -7.096 1.00 15.00 H new ATOM 0 HG3 LYS A 13 11.139 3.793 -8.019 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.458 4.493 -5.772 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.604 5.818 -6.538 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.749 3.832 -5.435 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.840 4.446 -4.208 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 8.122 5.954 -4.161 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 9.217 6.741 -5.192 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.878 5.923 -5.841 1.00 15.00 H new ATOM 259 N LEU A 18 8.936 6.593 -1.480 1.00 15.00 N ATOM 260 CA LEU A 18 7.627 6.722 -0.863 1.00 15.00 C ATOM 261 C LEU A 18 7.692 7.624 0.366 1.00 15.00 C ATOM 262 O LEU A 18 8.706 8.273 0.625 1.00 15.00 O ATOM 263 CB LEU A 18 7.072 5.342 -0.479 1.00 15.00 C ATOM 264 CG LEU A 18 6.619 4.469 -1.654 1.00 15.00 C ATOM 265 CD1 LEU A 18 5.741 5.266 -2.608 1.00 15.00 C ATOM 266 CD2 LEU A 18 7.821 3.889 -2.387 1.00 15.00 C ATOM 0 HA LEU A 18 6.956 7.179 -1.590 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.838 4.803 0.079 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.227 5.483 0.195 1.00 15.00 H new ATOM 0 HG LEU A 18 6.029 3.642 -1.258 1.00 15.00 H new ATOM 0 HD11 LEU A 18 5.430 4.628 -3.435 1.00 15.00 H new ATOM 0 HD12 LEU A 18 4.860 5.626 -2.077 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.303 6.115 -2.996 1.00 15.00 H new ATOM 0 HD21 LEU A 18 7.478 3.272 -3.218 1.00 15.00 H new ATOM 0 HD22 LEU A 18 8.440 4.700 -2.769 1.00 15.00 H new ATOM 0 HD23 LEU A 18 8.406 3.278 -1.700 1.00 15.00 H new ATOM 278 N GLY A 19 6.599 7.655 1.111 1.00 15.00 N ATOM 279 CA GLY A 19 6.513 8.470 2.307 1.00 15.00 C ATOM 280 C GLY A 19 5.397 7.995 3.200 1.00 15.00 C ATOM 281 O GLY A 19 4.731 8.788 3.851 1.00 15.00 O ATOM 0 H GLY A 19 5.755 7.121 0.905 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.459 8.431 2.848 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.346 9.511 2.031 1.00 15.00 H new ATOM 285 N ILE A 20 5.173 6.691 3.198 1.00 15.00 N ATOM 286 CA ILE A 20 4.117 6.098 3.999 1.00 15.00 C ATOM 287 C ILE A 20 4.661 5.196 5.106 1.00 15.00 C ATOM 288 O ILE A 20 5.580 4.408 4.881 1.00 15.00 O ATOM 289 CB ILE A 20 3.148 5.291 3.109 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.718 5.781 3.308 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.243 3.803 3.408 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.674 4.746 2.973 1.00 15.00 C ATOM 0 H ILE A 20 5.711 6.022 2.648 1.00 15.00 H new ATOM 0 HA ILE A 20 3.584 6.923 4.472 1.00 15.00 H new ATOM 0 HB ILE A 20 3.433 5.446 2.068 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.590 6.092 4.345 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.555 6.663 2.689 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.550 3.258 2.767 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.260 3.458 3.219 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.988 3.625 4.453 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.319 5.164 3.138 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.775 4.452 1.928 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.810 3.872 3.610 1.00 15.00 H new ATOM 304 N SER A 21 4.044 5.269 6.277 1.00 15.00 N ATOM 305 CA SER A 21 4.417 4.407 7.391 1.00 15.00 C ATOM 306 C SER A 21 3.469 3.209 7.395 1.00 15.00 C ATOM 307 O SER A 21 2.292 3.343 7.728 1.00 15.00 O ATOM 308 CB SER A 21 4.348 5.165 8.720 1.00 15.00 C ATOM 309 OG SER A 21 4.249 4.270 9.815 1.00 15.00 O ATOM 0 H SER A 21 3.283 5.916 6.481 1.00 15.00 H new ATOM 0 HA SER A 21 5.447 4.069 7.273 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.236 5.787 8.834 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.488 5.835 8.716 1.00 15.00 H new ATOM 0 HG SER A 21 4.208 4.779 10.651 1.00 15.00 H new ATOM 315 N VAL A 22 3.968 2.051 6.967 1.00 15.00 N ATOM 316 CA VAL A 22 3.134 0.853 6.865 1.00 15.00 C ATOM 317 C VAL A 22 3.193 -0.030 8.107 1.00 15.00 C ATOM 318 O VAL A 22 4.169 -0.015 8.857 1.00 15.00 O ATOM 319 CB VAL A 22 3.537 0.007 5.644 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.069 0.664 4.355 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.042 -0.208 5.623 1.00 15.00 C ATOM 0 H VAL A 22 4.939 1.916 6.687 1.00 15.00 H new ATOM 0 HA VAL A 22 2.112 1.217 6.758 1.00 15.00 H new ATOM 0 HB VAL A 22 3.051 -0.965 5.723 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.365 0.049 3.505 1.00 15.00 H new ATOM 0 HG12 VAL A 22 1.984 0.764 4.371 1.00 15.00 H new ATOM 0 HG13 VAL A 22 3.523 1.651 4.264 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.312 -0.808 4.754 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.547 0.757 5.569 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.348 -0.727 6.531 1.00 15.00 H new ATOM 331 N THR A 23 2.124 -0.804 8.305 1.00 15.00 N ATOM 332 CA THR A 23 2.017 -1.712 9.443 1.00 15.00 C ATOM 333 C THR A 23 1.174 -2.942 9.088 1.00 15.00 C ATOM 334 O THR A 23 0.698 -3.082 7.957 1.00 15.00 O ATOM 335 CB THR A 23 1.402 -0.982 10.639 1.00 15.00 C ATOM 336 OG1 THR A 23 1.340 0.409 10.395 1.00 15.00 O ATOM 337 CG2 THR A 23 2.167 -1.189 11.928 1.00 15.00 C ATOM 0 H THR A 23 1.315 -0.818 7.684 1.00 15.00 H new ATOM 0 HA THR A 23 3.019 -2.050 9.705 1.00 15.00 H new ATOM 0 HB THR A 23 0.406 -1.409 10.757 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.723 0.892 11.157 1.00 15.00 H new ATOM 0 HG21 THR A 23 1.676 -0.644 12.734 1.00 15.00 H new ATOM 0 HG22 THR A 23 2.191 -2.251 12.170 1.00 15.00 H new ATOM 0 HG23 THR A 23 3.186 -0.821 11.809 1.00 15.00 H new ATOM 345 N GLY A 24 0.989 -3.828 10.066 1.00 15.00 N ATOM 346 CA GLY A 24 0.201 -5.031 9.847 1.00 15.00 C ATOM 347 C GLY A 24 0.883 -6.010 8.911 1.00 15.00 C ATOM 348 O GLY A 24 1.979 -6.490 9.198 1.00 15.00 O ATOM 0 H GLY A 24 1.371 -3.734 11.007 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.014 -5.518 10.804 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.770 -4.755 9.435 1.00 15.00 H new ATOM 352 N GLY A 25 0.235 -6.301 7.787 1.00 15.00 N ATOM 353 CA GLY A 25 0.804 -7.216 6.813 1.00 15.00 C ATOM 354 C GLY A 25 0.878 -8.650 7.298 1.00 15.00 C ATOM 355 O GLY A 25 0.214 -9.527 6.746 1.00 15.00 O ATOM 0 H GLY A 25 -0.676 -5.919 7.533 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.207 -7.180 5.901 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.807 -6.878 6.551 1.00 15.00 H new ATOM 359 N VAL A 26 1.702 -8.889 8.319 1.00 15.00 N ATOM 360 CA VAL A 26 1.889 -10.231 8.887 1.00 15.00 C ATOM 361 C VAL A 26 0.658 -11.115 8.697 1.00 15.00 C ATOM 362 O VAL A 26 -0.475 -10.659 8.840 1.00 15.00 O ATOM 363 CB VAL A 26 2.230 -10.166 10.390 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.732 -10.268 10.602 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.685 -8.887 11.006 1.00 15.00 C ATOM 0 H VAL A 26 2.257 -8.165 8.775 1.00 15.00 H new ATOM 0 HA VAL A 26 2.724 -10.673 8.344 1.00 15.00 H new ATOM 0 HB VAL A 26 1.757 -11.013 10.887 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.953 -10.220 11.668 1.00 15.00 H new ATOM 0 HG12 VAL A 26 4.093 -11.214 10.199 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.228 -9.443 10.091 1.00 15.00 H new ATOM 0 HG21 VAL A 26 1.935 -8.859 12.067 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.127 -8.025 10.506 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.602 -8.859 10.888 1.00 15.00 H new ATOM 375 N ASN A 27 0.893 -12.381 8.367 1.00 15.00 N ATOM 376 CA ASN A 27 -0.191 -13.330 8.147 1.00 15.00 C ATOM 377 C ASN A 27 -0.812 -13.768 9.471 1.00 15.00 C ATOM 378 O ASN A 27 -0.778 -14.947 9.824 1.00 15.00 O ATOM 379 CB ASN A 27 0.326 -14.551 7.385 1.00 15.00 C ATOM 380 CG ASN A 27 1.554 -15.159 8.033 1.00 15.00 C ATOM 381 OD1 ASN A 27 2.645 -14.592 7.975 1.00 15.00 O ATOM 382 ND2 ASN A 27 1.382 -16.319 8.656 1.00 15.00 N ATOM 0 H ASN A 27 1.827 -12.773 8.246 1.00 15.00 H new ATOM 0 HA ASN A 27 -0.960 -12.835 7.554 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -0.462 -15.302 7.330 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.564 -14.263 6.361 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.172 -16.775 9.111 1.00 15.00 H new ATOM 0 HD22 ASN A 27 0.459 -16.754 8.679 1.00 15.00 H new ATOM 389 N THR A 28 -1.378 -12.812 10.200 1.00 15.00 N ATOM 390 CA THR A 28 -2.006 -13.102 11.483 1.00 15.00 C ATOM 391 C THR A 28 -3.125 -12.108 11.783 1.00 15.00 C ATOM 392 O THR A 28 -4.281 -12.494 11.956 1.00 15.00 O ATOM 393 CB THR A 28 -0.966 -13.067 12.604 1.00 15.00 C ATOM 394 OG1 THR A 28 0.280 -13.564 12.147 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.366 -13.877 13.817 1.00 15.00 C ATOM 0 H THR A 28 -1.415 -11.831 9.924 1.00 15.00 H new ATOM 0 HA THR A 28 -2.438 -14.101 11.427 1.00 15.00 H new ATOM 0 HB THR A 28 -0.891 -12.020 12.896 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.933 -13.532 12.877 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.584 -13.809 14.574 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.299 -13.487 14.223 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.503 -14.919 13.529 1.00 15.00 H new ATOM 403 N SER A 29 -2.770 -10.829 11.846 1.00 15.00 N ATOM 404 CA SER A 29 -3.742 -9.779 12.130 1.00 15.00 C ATOM 405 C SER A 29 -4.625 -9.503 10.917 1.00 15.00 C ATOM 406 O SER A 29 -5.848 -9.426 11.033 1.00 15.00 O ATOM 407 CB SER A 29 -3.025 -8.496 12.554 1.00 15.00 C ATOM 408 OG SER A 29 -2.207 -7.999 11.509 1.00 15.00 O ATOM 0 H SER A 29 -1.817 -10.494 11.704 1.00 15.00 H new ATOM 0 HA SER A 29 -4.379 -10.122 12.946 1.00 15.00 H new ATOM 0 HB2 SER A 29 -3.759 -7.741 12.835 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.415 -8.691 13.436 1.00 15.00 H new ATOM 0 HG SER A 29 -1.761 -7.178 11.805 1.00 15.00 H new ATOM 414 N VAL A 30 -3.999 -9.353 9.754 1.00 15.00 N ATOM 415 CA VAL A 30 -4.732 -9.083 8.522 1.00 15.00 C ATOM 416 C VAL A 30 -5.530 -10.305 8.077 1.00 15.00 C ATOM 417 O VAL A 30 -5.592 -11.310 8.785 1.00 15.00 O ATOM 418 CB VAL A 30 -3.784 -8.654 7.386 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.063 -7.365 7.750 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.787 -9.759 7.073 1.00 15.00 C ATOM 0 H VAL A 30 -2.987 -9.414 9.639 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.420 -8.265 8.735 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.380 -8.471 6.492 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.398 -7.078 6.936 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.794 -6.574 7.918 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.480 -7.518 8.658 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.127 -9.436 6.268 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.195 -9.978 7.962 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.323 -10.656 6.764 1.00 15.00 H new ATOM 430 N ARG A 31 -6.141 -10.211 6.900 1.00 15.00 N ATOM 431 CA ARG A 31 -6.940 -11.306 6.360 1.00 15.00 C ATOM 432 C ARG A 31 -6.135 -12.602 6.304 1.00 15.00 C ATOM 433 O ARG A 31 -6.516 -13.605 6.908 1.00 15.00 O ATOM 434 CB ARG A 31 -7.452 -10.950 4.963 1.00 15.00 C ATOM 435 CG ARG A 31 -8.318 -9.701 4.933 1.00 15.00 C ATOM 436 CD ARG A 31 -9.601 -9.892 5.726 1.00 15.00 C ATOM 437 NE ARG A 31 -9.404 -9.650 7.153 1.00 15.00 N ATOM 438 CZ ARG A 31 -10.260 -10.040 8.095 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.369 -10.690 7.764 1.00 15.00 N ATOM 440 NH2 ARG A 31 -10.007 -9.780 9.370 1.00 15.00 N ATOM 0 H ARG A 31 -6.098 -9.386 6.301 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.790 -11.460 7.025 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -6.600 -10.807 4.298 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.026 -11.790 4.570 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -7.759 -8.859 5.342 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.561 -9.451 3.900 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.366 -9.215 5.346 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.971 -10.907 5.578 1.00 15.00 H new ATOM 0 HE ARG A 31 -8.562 -9.154 7.445 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.568 -10.893 6.784 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.022 -10.987 8.489 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -9.156 -9.281 9.630 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -10.663 -10.079 10.091 1.00 15.00 H new ATOM 454 N HIS A 32 -5.024 -12.578 5.573 1.00 15.00 N ATOM 455 CA HIS A 32 -4.174 -13.758 5.440 1.00 15.00 C ATOM 456 C HIS A 32 -2.712 -13.369 5.238 1.00 15.00 C ATOM 457 O HIS A 32 -1.819 -13.948 5.853 1.00 15.00 O ATOM 458 CB HIS A 32 -4.647 -14.632 4.274 1.00 15.00 C ATOM 459 CG HIS A 32 -5.300 -13.864 3.166 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.655 -13.607 3.126 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.778 -13.294 2.055 1.00 15.00 C ATOM 462 CE1 HIS A 32 -6.937 -12.912 2.039 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.816 -12.709 1.372 1.00 15.00 N ATOM 0 H HIS A 32 -4.692 -11.758 5.065 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.251 -14.327 6.367 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -3.793 -15.177 3.871 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -5.350 -15.375 4.651 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.739 -13.298 1.760 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.918 -12.568 1.746 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -5.734 -12.200 0.492 1.00 15.00 H new ATOM 472 N GLY A 33 -2.474 -12.393 4.368 1.00 15.00 N ATOM 473 CA GLY A 33 -1.114 -11.955 4.101 1.00 15.00 C ATOM 474 C GLY A 33 -1.055 -10.653 3.325 1.00 15.00 C ATOM 475 O GLY A 33 -0.058 -10.362 2.665 1.00 15.00 O ATOM 0 H GLY A 33 -3.195 -11.898 3.844 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.585 -11.833 5.046 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.591 -12.730 3.541 1.00 15.00 H new ATOM 479 N GLY A 34 -2.111 -9.852 3.425 1.00 15.00 N ATOM 480 CA GLY A 34 -2.131 -8.570 2.748 1.00 15.00 C ATOM 481 C GLY A 34 -1.609 -7.491 3.666 1.00 15.00 C ATOM 482 O GLY A 34 -1.687 -7.639 4.886 1.00 15.00 O ATOM 0 H GLY A 34 -2.951 -10.068 3.962 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.522 -8.617 1.846 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.147 -8.331 2.434 1.00 15.00 H new ATOM 486 N ILE A 35 -1.065 -6.410 3.118 1.00 15.00 N ATOM 487 CA ILE A 35 -0.537 -5.358 3.980 1.00 15.00 C ATOM 488 C ILE A 35 -1.496 -4.182 4.087 1.00 15.00 C ATOM 489 O ILE A 35 -2.220 -3.861 3.144 1.00 15.00 O ATOM 490 CB ILE A 35 0.865 -4.886 3.534 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.584 -4.177 4.690 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.791 -3.999 2.302 1.00 15.00 C ATOM 493 CD1 ILE A 35 1.245 -2.708 4.826 1.00 15.00 C ATOM 0 H ILE A 35 -0.979 -6.241 2.116 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.433 -5.796 4.972 1.00 15.00 H new ATOM 0 HB ILE A 35 1.445 -5.767 3.259 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.335 -4.683 5.623 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.660 -4.278 4.550 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.796 -3.686 2.018 1.00 15.00 H new ATOM 0 HG22 ILE A 35 0.338 -4.554 1.481 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.186 -3.119 2.523 1.00 15.00 H new ATOM 0 HD11 ILE A 35 1.795 -2.284 5.666 1.00 15.00 H new ATOM 0 HD12 ILE A 35 1.521 -2.185 3.910 1.00 15.00 H new ATOM 0 HD13 ILE A 35 0.175 -2.596 5.000 1.00 15.00 H new ATOM 505 N TYR A 36 -1.492 -3.552 5.253 1.00 15.00 N ATOM 506 CA TYR A 36 -2.356 -2.413 5.519 1.00 15.00 C ATOM 507 C TYR A 36 -1.540 -1.287 6.112 1.00 15.00 C ATOM 508 O TYR A 36 -1.083 -1.368 7.252 1.00 15.00 O ATOM 509 CB TYR A 36 -3.476 -2.803 6.485 1.00 15.00 C ATOM 510 CG TYR A 36 -4.481 -3.769 5.903 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.123 -5.075 5.590 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.793 -3.376 5.674 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.045 -5.960 5.065 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.719 -4.254 5.149 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.341 -5.545 4.847 1.00 15.00 C ATOM 516 OH TYR A 36 -7.263 -6.424 4.327 1.00 15.00 O ATOM 0 H TYR A 36 -0.894 -3.814 6.036 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.804 -2.086 4.581 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.034 -3.248 7.377 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.997 -1.900 6.804 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.108 -5.403 5.760 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.094 -2.366 5.911 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.752 -6.972 4.827 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.735 -3.931 4.975 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.166 -6.065 4.456 1.00 15.00 H new ATOM 526 N VAL A 37 -1.346 -0.241 5.330 1.00 15.00 N ATOM 527 CA VAL A 37 -0.563 0.896 5.787 1.00 15.00 C ATOM 528 C VAL A 37 -1.126 1.450 7.095 1.00 15.00 C ATOM 529 O VAL A 37 -2.238 1.120 7.497 1.00 15.00 O ATOM 530 CB VAL A 37 -0.468 2.029 4.720 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.672 1.508 3.308 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.441 3.160 4.988 1.00 15.00 C ATOM 0 H VAL A 37 -1.715 -0.153 4.383 1.00 15.00 H new ATOM 0 HA VAL A 37 0.449 0.528 5.958 1.00 15.00 H new ATOM 0 HB VAL A 37 0.546 2.421 4.803 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.597 2.334 2.601 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.092 0.765 3.080 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.658 1.051 3.228 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.334 3.922 4.216 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.460 2.773 4.977 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.229 3.599 5.963 1.00 15.00 H new ATOM 542 N LYS A 38 -0.357 2.305 7.743 1.00 15.00 N ATOM 543 CA LYS A 38 -0.786 2.926 8.987 1.00 15.00 C ATOM 544 C LYS A 38 -1.280 4.338 8.694 1.00 15.00 C ATOM 545 O LYS A 38 -2.358 4.741 9.131 1.00 15.00 O ATOM 546 CB LYS A 38 0.365 2.927 10.008 1.00 15.00 C ATOM 547 CG LYS A 38 0.812 4.303 10.487 1.00 15.00 C ATOM 548 CD LYS A 38 1.311 4.247 11.920 1.00 15.00 C ATOM 549 CE LYS A 38 0.376 4.987 12.861 1.00 15.00 C ATOM 550 NZ LYS A 38 0.491 4.496 14.261 1.00 15.00 N ATOM 0 H LYS A 38 0.571 2.587 7.429 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.606 2.356 9.424 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.060 2.341 10.875 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.222 2.419 9.565 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.603 4.678 9.838 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.019 5.004 10.415 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.400 3.208 12.236 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.308 4.684 11.977 1.00 15.00 H new ATOM 0 HE2 LYS A 38 0.601 6.053 12.831 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.652 4.868 12.518 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.164 5.027 14.870 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 0.252 3.484 14.295 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 1.465 4.633 14.598 1.00 15.00 H new ATOM 564 N ALA A 39 -0.477 5.073 7.935 1.00 15.00 N ATOM 565 CA ALA A 39 -0.808 6.437 7.551 1.00 15.00 C ATOM 566 C ALA A 39 0.186 6.956 6.517 1.00 15.00 C ATOM 567 O ALA A 39 1.215 6.330 6.274 1.00 15.00 O ATOM 568 CB ALA A 39 -0.840 7.338 8.771 1.00 15.00 C ATOM 0 H ALA A 39 0.416 4.742 7.571 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.800 6.441 7.100 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.089 8.354 8.466 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.592 6.975 9.472 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.138 7.333 9.253 1.00 15.00 H new ATOM 574 N VAL A 40 -0.124 8.100 5.917 1.00 15.00 N ATOM 575 CA VAL A 40 0.751 8.697 4.905 1.00 15.00 C ATOM 576 C VAL A 40 1.645 9.774 5.525 1.00 15.00 C ATOM 577 O VAL A 40 1.156 10.713 6.150 1.00 15.00 O ATOM 578 CB VAL A 40 -0.058 9.312 3.740 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.177 8.330 2.585 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.432 9.746 4.212 1.00 15.00 C ATOM 0 H VAL A 40 -0.971 8.634 6.110 1.00 15.00 H new ATOM 0 HA VAL A 40 1.372 7.894 4.509 1.00 15.00 H new ATOM 0 HB VAL A 40 0.478 10.192 3.385 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.750 8.786 1.778 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.818 8.072 2.223 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.684 7.427 2.926 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -1.985 10.176 3.377 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.973 8.883 4.599 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.327 10.492 5.000 1.00 15.00 H new ATOM 590 N ILE A 41 2.960 9.610 5.366 1.00 15.00 N ATOM 591 CA ILE A 41 3.944 10.543 5.928 1.00 15.00 C ATOM 592 C ILE A 41 4.096 11.820 5.110 1.00 15.00 C ATOM 593 O ILE A 41 4.678 11.800 4.027 1.00 15.00 O ATOM 594 CB ILE A 41 5.330 9.869 6.078 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.192 8.420 6.566 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.221 10.656 7.016 1.00 15.00 C ATOM 597 CD1 ILE A 41 4.043 8.194 7.526 1.00 15.00 C ATOM 0 H ILE A 41 3.372 8.834 4.849 1.00 15.00 H new ATOM 0 HA ILE A 41 3.557 10.821 6.909 1.00 15.00 H new ATOM 0 HB ILE A 41 5.795 9.856 5.092 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.062 7.768 5.702 1.00 15.00 H new ATOM 0 HG13 ILE A 41 6.121 8.123 7.053 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.187 10.159 7.102 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.364 11.663 6.623 1.00 15.00 H new ATOM 0 HG23 ILE A 41 5.754 10.713 7.999 1.00 15.00 H new ATOM 0 HD11 ILE A 41 4.017 7.145 7.822 1.00 15.00 H new ATOM 0 HD12 ILE A 41 4.180 8.817 8.410 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.104 8.457 7.038 1.00 15.00 H new ATOM 609 N PRO A 42 3.593 12.960 5.636 1.00 15.00 N ATOM 610 CA PRO A 42 3.684 14.261 4.960 1.00 15.00 C ATOM 611 C PRO A 42 5.124 14.709 4.764 1.00 15.00 C ATOM 612 O PRO A 42 5.602 15.627 5.431 1.00 15.00 O ATOM 613 CB PRO A 42 2.947 15.223 5.905 1.00 15.00 C ATOM 614 CG PRO A 42 2.132 14.348 6.793 1.00 15.00 C ATOM 615 CD PRO A 42 2.912 13.075 6.937 1.00 15.00 C ATOM 0 HA PRO A 42 3.255 14.224 3.959 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.650 15.824 6.482 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.316 15.916 5.348 1.00 15.00 H new ATOM 0 HG2 PRO A 42 1.968 14.818 7.763 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.150 14.158 6.361 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.622 13.127 7.762 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.262 12.222 7.130 1.00 15.00 H new ATOM 623 N GLN A 43 5.809 14.052 3.840 1.00 15.00 N ATOM 624 CA GLN A 43 7.197 14.372 3.542 1.00 15.00 C ATOM 625 C GLN A 43 7.681 13.558 2.351 1.00 15.00 C ATOM 626 O GLN A 43 8.375 14.072 1.473 1.00 15.00 O ATOM 627 CB GLN A 43 8.081 14.099 4.762 1.00 15.00 C ATOM 628 CG GLN A 43 8.497 15.358 5.505 1.00 15.00 C ATOM 629 CD GLN A 43 9.771 15.168 6.305 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.700 15.971 6.214 1.00 15.00 O ATOM 631 NE2 GLN A 43 9.821 14.102 7.095 1.00 15.00 N ATOM 0 H GLN A 43 5.424 13.290 3.281 1.00 15.00 H new ATOM 0 HA GLN A 43 7.263 15.431 3.294 1.00 15.00 H new ATOM 0 HB2 GLN A 43 7.546 13.442 5.448 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.975 13.565 4.440 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.639 16.168 4.789 1.00 15.00 H new ATOM 0 HG3 GLN A 43 7.693 15.662 6.175 1.00 15.00 H new ATOM 0 HE21 GLN A 43 9.028 13.463 7.140 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.653 13.923 7.657 1.00 15.00 H new ATOM 640 N GLY A 44 7.302 12.286 2.324 1.00 15.00 N ATOM 641 CA GLY A 44 7.698 11.421 1.233 1.00 15.00 C ATOM 642 C GLY A 44 6.733 11.485 0.065 1.00 15.00 C ATOM 643 O GLY A 44 5.537 11.740 0.244 1.00 15.00 O ATOM 0 H GLY A 44 6.728 11.840 3.039 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.695 11.702 0.893 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.762 10.394 1.592 1.00 15.00 H new ATOM 647 N ALA A 45 7.268 11.254 -1.131 1.00 15.00 N ATOM 648 CA ALA A 45 6.493 11.287 -2.373 1.00 15.00 C ATOM 649 C ALA A 45 5.102 10.670 -2.231 1.00 15.00 C ATOM 650 O ALA A 45 4.205 10.975 -3.016 1.00 15.00 O ATOM 651 CB ALA A 45 7.262 10.587 -3.483 1.00 15.00 C ATOM 0 H ALA A 45 8.255 11.038 -1.269 1.00 15.00 H new ATOM 0 HA ALA A 45 6.345 12.338 -2.623 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.679 10.616 -4.404 1.00 15.00 H new ATOM 0 HB2 ALA A 45 8.214 11.093 -3.641 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.444 9.550 -3.201 1.00 15.00 H new ATOM 657 N ALA A 46 4.919 9.802 -1.243 1.00 15.00 N ATOM 658 CA ALA A 46 3.629 9.161 -1.040 1.00 15.00 C ATOM 659 C ALA A 46 2.600 10.147 -0.493 1.00 15.00 C ATOM 660 O ALA A 46 1.663 10.530 -1.200 1.00 15.00 O ATOM 661 CB ALA A 46 3.768 7.971 -0.105 1.00 15.00 C ATOM 0 H ALA A 46 5.641 9.529 -0.576 1.00 15.00 H new ATOM 0 HA ALA A 46 3.276 8.808 -2.009 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.794 7.503 0.036 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.459 7.247 -0.537 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.151 8.308 0.858 1.00 15.00 H new ATOM 667 N GLU A 47 2.774 10.557 0.766 1.00 15.00 N ATOM 668 CA GLU A 47 1.851 11.507 1.387 1.00 15.00 C ATOM 669 C GLU A 47 1.790 12.802 0.583 1.00 15.00 C ATOM 670 O GLU A 47 0.724 13.396 0.421 1.00 15.00 O ATOM 671 CB GLU A 47 2.224 11.792 2.850 1.00 15.00 C ATOM 672 CG GLU A 47 1.327 12.830 3.514 1.00 15.00 C ATOM 673 CD GLU A 47 -0.151 12.524 3.364 1.00 15.00 C ATOM 674 OE1 GLU A 47 -0.624 12.420 2.213 1.00 15.00 O ATOM 675 OE2 GLU A 47 -0.836 12.392 4.399 1.00 15.00 O ATOM 0 H GLU A 47 3.537 10.249 1.369 1.00 15.00 H new ATOM 0 HA GLU A 47 0.861 11.050 1.386 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.173 10.863 3.417 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.258 12.135 2.893 1.00 15.00 H new ATOM 0 HG2 GLU A 47 1.574 12.889 4.574 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.535 13.809 3.083 1.00 15.00 H new ATOM 682 N SER A 48 2.944 13.232 0.077 1.00 15.00 N ATOM 683 CA SER A 48 3.022 14.456 -0.714 1.00 15.00 C ATOM 684 C SER A 48 2.026 14.407 -1.866 1.00 15.00 C ATOM 685 O SER A 48 1.119 15.235 -1.952 1.00 15.00 O ATOM 686 CB SER A 48 4.441 14.652 -1.253 1.00 15.00 C ATOM 687 OG SER A 48 4.963 15.912 -0.869 1.00 15.00 O ATOM 0 H SER A 48 3.835 12.752 0.201 1.00 15.00 H new ATOM 0 HA SER A 48 2.772 15.300 -0.071 1.00 15.00 H new ATOM 0 HB2 SER A 48 5.088 13.858 -0.880 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.434 14.574 -2.340 1.00 15.00 H new ATOM 0 HG SER A 48 5.871 16.012 -1.224 1.00 15.00 H new ATOM 693 N ASP A 49 2.190 13.420 -2.740 1.00 15.00 N ATOM 694 CA ASP A 49 1.292 13.253 -3.873 1.00 15.00 C ATOM 695 C ASP A 49 -0.099 12.873 -3.383 1.00 15.00 C ATOM 696 O ASP A 49 -1.108 13.332 -3.918 1.00 15.00 O ATOM 697 CB ASP A 49 1.825 12.179 -4.822 1.00 15.00 C ATOM 698 CG ASP A 49 1.646 12.554 -6.280 1.00 15.00 C ATOM 699 OD1 ASP A 49 2.226 13.575 -6.706 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.926 11.826 -6.996 1.00 15.00 O ATOM 0 H ASP A 49 2.935 12.726 -2.685 1.00 15.00 H new ATOM 0 HA ASP A 49 1.233 14.197 -4.414 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.883 12.013 -4.620 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.311 11.238 -4.626 1.00 15.00 H new ATOM 705 N GLY A 50 -0.138 12.033 -2.353 1.00 15.00 N ATOM 706 CA GLY A 50 -1.401 11.601 -1.790 1.00 15.00 C ATOM 707 C GLY A 50 -2.031 10.472 -2.579 1.00 15.00 C ATOM 708 O GLY A 50 -3.243 10.456 -2.791 1.00 15.00 O ATOM 0 H GLY A 50 0.687 11.643 -1.898 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.245 11.278 -0.761 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.089 12.446 -1.758 1.00 15.00 H new ATOM 712 N ARG A 51 -1.209 9.522 -3.014 1.00 15.00 N ATOM 713 CA ARG A 51 -1.708 8.385 -3.782 1.00 15.00 C ATOM 714 C ARG A 51 -2.179 7.272 -2.854 1.00 15.00 C ATOM 715 O ARG A 51 -3.325 6.830 -2.928 1.00 15.00 O ATOM 716 CB ARG A 51 -0.629 7.856 -4.730 1.00 15.00 C ATOM 717 CG ARG A 51 -0.565 8.602 -6.053 1.00 15.00 C ATOM 718 CD ARG A 51 -1.688 8.178 -6.987 1.00 15.00 C ATOM 719 NE ARG A 51 -2.698 9.224 -7.138 1.00 15.00 N ATOM 720 CZ ARG A 51 -2.529 10.314 -7.883 1.00 15.00 C ATOM 721 NH1 ARG A 51 -1.393 10.506 -8.541 1.00 15.00 N ATOM 722 NH2 ARG A 51 -3.498 11.215 -7.969 1.00 15.00 N ATOM 0 H ARG A 51 -0.202 9.516 -2.850 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.556 8.727 -4.375 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.341 7.923 -4.237 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.815 6.800 -4.926 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.628 9.675 -5.870 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.397 8.416 -6.531 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.273 7.931 -7.964 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.158 7.273 -6.602 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.583 9.112 -6.644 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -0.644 9.817 -8.477 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -1.269 11.343 -9.111 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -4.373 11.073 -7.464 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -3.369 12.050 -8.540 1.00 15.00 H new ATOM 736 N ILE A 52 -1.287 6.827 -1.979 1.00 15.00 N ATOM 737 CA ILE A 52 -1.598 5.774 -1.032 1.00 15.00 C ATOM 738 C ILE A 52 -2.353 6.337 0.175 1.00 15.00 C ATOM 739 O ILE A 52 -2.325 7.543 0.420 1.00 15.00 O ATOM 740 CB ILE A 52 -0.305 5.079 -0.573 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.634 3.818 0.217 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.556 6.033 0.241 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.486 2.841 -0.554 1.00 15.00 C ATOM 0 H ILE A 52 -0.335 7.185 -1.909 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.238 5.043 -1.526 1.00 15.00 H new ATOM 0 HB ILE A 52 0.267 4.786 -1.453 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.294 3.328 0.511 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.152 4.096 1.135 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.466 5.523 0.556 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.818 6.898 -0.369 1.00 15.00 H new ATOM 0 HG23 ILE A 52 0.002 6.363 1.120 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.685 1.965 0.064 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.429 3.316 -0.825 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.961 2.535 -1.459 1.00 15.00 H new ATOM 755 N HIS A 53 -3.042 5.470 0.917 1.00 15.00 N ATOM 756 CA HIS A 53 -3.811 5.916 2.078 1.00 15.00 C ATOM 757 C HIS A 53 -3.727 4.944 3.241 1.00 15.00 C ATOM 758 O HIS A 53 -3.363 3.781 3.086 1.00 15.00 O ATOM 759 CB HIS A 53 -5.274 6.142 1.692 1.00 15.00 C ATOM 760 CG HIS A 53 -5.453 7.126 0.578 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.663 6.750 -0.733 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.453 8.480 0.583 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.784 7.829 -1.485 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.661 8.891 -0.711 1.00 15.00 N ATOM 0 H HIS A 53 -3.084 4.467 0.738 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.369 6.856 2.408 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.715 5.189 1.399 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -5.822 6.492 2.567 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.315 9.118 1.444 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.955 7.840 -2.551 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.712 9.861 -1.023 1.00 15.00 H new ATOM 773 N LYS A 54 -4.048 5.467 4.416 1.00 15.00 N ATOM 774 CA LYS A 54 -4.004 4.711 5.653 1.00 15.00 C ATOM 775 C LYS A 54 -4.648 3.324 5.517 1.00 15.00 C ATOM 776 O LYS A 54 -5.708 3.174 4.910 1.00 15.00 O ATOM 777 CB LYS A 54 -4.654 5.516 6.789 1.00 15.00 C ATOM 778 CG LYS A 54 -6.056 5.063 7.180 1.00 15.00 C ATOM 779 CD LYS A 54 -6.016 4.038 8.301 1.00 15.00 C ATOM 780 CE LYS A 54 -5.348 4.602 9.546 1.00 15.00 C ATOM 781 NZ LYS A 54 -4.830 3.526 10.436 1.00 15.00 N ATOM 0 H LYS A 54 -4.348 6.435 4.535 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.955 4.541 5.896 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -4.012 5.459 7.668 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -4.697 6.564 6.493 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.644 5.925 7.494 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -6.557 4.635 6.312 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -7.031 3.721 8.543 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.476 3.152 7.967 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -4.527 5.256 9.252 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -6.063 5.214 10.095 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.100 3.729 11.420 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.234 2.612 10.147 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -3.793 3.485 10.364 1.00 15.00 H new ATOM 795 N GLY A 55 -3.992 2.318 6.098 1.00 15.00 N ATOM 796 CA GLY A 55 -4.501 0.953 6.048 1.00 15.00 C ATOM 797 C GLY A 55 -4.880 0.503 4.657 1.00 15.00 C ATOM 798 O GLY A 55 -5.803 -0.296 4.493 1.00 15.00 O ATOM 0 H GLY A 55 -3.113 2.425 6.605 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.745 0.277 6.447 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.373 0.875 6.697 1.00 15.00 H new ATOM 802 N ASP A 56 -4.168 0.992 3.650 1.00 15.00 N ATOM 803 CA ASP A 56 -4.459 0.591 2.282 1.00 15.00 C ATOM 804 C ASP A 56 -4.152 -0.887 2.091 1.00 15.00 C ATOM 805 O ASP A 56 -3.050 -1.345 2.405 1.00 15.00 O ATOM 806 CB ASP A 56 -3.669 1.429 1.277 1.00 15.00 C ATOM 807 CG ASP A 56 -4.574 2.184 0.326 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.401 1.533 -0.347 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.459 3.425 0.255 1.00 15.00 O ATOM 0 H ASP A 56 -3.399 1.654 3.752 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.520 0.761 2.100 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.037 2.137 1.814 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.006 0.779 0.706 1.00 15.00 H new ATOM 814 N ARG A 57 -5.126 -1.628 1.574 1.00 15.00 N ATOM 815 CA ARG A 57 -4.955 -3.055 1.336 1.00 15.00 C ATOM 816 C ARG A 57 -4.251 -3.283 0.004 1.00 15.00 C ATOM 817 O ARG A 57 -4.897 -3.514 -1.018 1.00 15.00 O ATOM 818 CB ARG A 57 -6.313 -3.760 1.341 1.00 15.00 C ATOM 819 CG ARG A 57 -6.213 -5.276 1.372 1.00 15.00 C ATOM 820 CD ARG A 57 -7.582 -5.928 1.262 1.00 15.00 C ATOM 821 NE ARG A 57 -7.574 -7.063 0.341 1.00 15.00 N ATOM 822 CZ ARG A 57 -8.402 -8.102 0.435 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.311 -8.154 1.402 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.323 -9.093 -0.443 1.00 15.00 N ATOM 0 H ARG A 57 -6.042 -1.263 1.312 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.342 -3.472 2.135 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.884 -3.424 2.207 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.872 -3.459 0.455 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.580 -5.617 0.553 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.732 -5.591 2.298 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -7.905 -6.263 2.248 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -8.309 -5.190 0.922 1.00 15.00 H new ATOM 0 HE ARG A 57 -6.894 -7.059 -0.419 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.379 -7.395 2.080 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -9.941 -8.953 1.467 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.629 -9.059 -1.189 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.957 -9.889 -0.372 1.00 15.00 H new ATOM 838 N VAL A 58 -2.925 -3.200 0.017 1.00 15.00 N ATOM 839 CA VAL A 58 -2.142 -3.383 -1.198 1.00 15.00 C ATOM 840 C VAL A 58 -1.979 -4.863 -1.536 1.00 15.00 C ATOM 841 O VAL A 58 -1.503 -5.660 -0.712 1.00 15.00 O ATOM 842 CB VAL A 58 -0.757 -2.697 -1.100 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.846 -1.415 -0.283 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.285 -3.631 -0.512 1.00 15.00 C ATOM 0 H VAL A 58 -2.372 -3.008 0.852 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.696 -2.904 -2.005 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.444 -2.442 -2.112 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.138 -0.950 -0.227 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.546 -0.728 -0.759 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.195 -1.648 0.723 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.245 -3.117 -0.458 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.022 -3.934 0.489 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.381 -4.513 -1.145 1.00 15.00 H new ATOM 854 N LEU A 59 -2.403 -5.218 -2.749 1.00 15.00 N ATOM 855 CA LEU A 59 -2.329 -6.597 -3.223 1.00 15.00 C ATOM 856 C LEU A 59 -1.243 -6.794 -4.286 1.00 15.00 C ATOM 857 O LEU A 59 -0.841 -7.924 -4.557 1.00 15.00 O ATOM 858 CB LEU A 59 -3.681 -7.040 -3.785 1.00 15.00 C ATOM 859 CG LEU A 59 -4.777 -7.269 -2.742 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.277 -8.181 -1.632 1.00 15.00 C ATOM 861 CD2 LEU A 59 -5.253 -5.942 -2.170 1.00 15.00 C ATOM 0 H LEU A 59 -2.803 -4.565 -3.423 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.065 -7.212 -2.363 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.027 -6.286 -4.492 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.538 -7.963 -4.347 1.00 15.00 H new ATOM 0 HG LEU A 59 -5.621 -7.756 -3.231 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -5.070 -8.332 -0.900 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -3.985 -9.142 -2.055 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.416 -7.723 -1.145 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -6.032 -6.123 -1.430 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.416 -5.428 -1.697 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.652 -5.322 -2.973 1.00 15.00 H new ATOM 873 N ALA A 60 -0.793 -5.707 -4.914 1.00 15.00 N ATOM 874 CA ALA A 60 0.218 -5.811 -5.968 1.00 15.00 C ATOM 875 C ALA A 60 1.144 -4.597 -6.022 1.00 15.00 C ATOM 876 O ALA A 60 0.742 -3.472 -5.725 1.00 15.00 O ATOM 877 CB ALA A 60 -0.463 -6.001 -7.314 1.00 15.00 C ATOM 0 H ALA A 60 -1.107 -4.757 -4.716 1.00 15.00 H new ATOM 0 HA ALA A 60 0.839 -6.675 -5.734 1.00 15.00 H new ATOM 0 HB1 ALA A 60 0.292 -6.078 -8.096 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.060 -6.913 -7.294 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.111 -5.148 -7.518 1.00 15.00 H new ATOM 883 N VAL A 61 2.386 -4.846 -6.437 1.00 15.00 N ATOM 884 CA VAL A 61 3.397 -3.801 -6.579 1.00 15.00 C ATOM 885 C VAL A 61 4.197 -4.046 -7.847 1.00 15.00 C ATOM 886 O VAL A 61 5.073 -4.910 -7.881 1.00 15.00 O ATOM 887 CB VAL A 61 4.360 -3.752 -5.377 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.331 -2.590 -5.520 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.584 -3.654 -4.073 1.00 15.00 C ATOM 0 H VAL A 61 2.719 -5.778 -6.684 1.00 15.00 H new ATOM 0 HA VAL A 61 2.877 -2.844 -6.627 1.00 15.00 H new ATOM 0 HB VAL A 61 4.937 -4.677 -5.358 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.004 -2.570 -4.663 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.912 -2.712 -6.434 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.774 -1.654 -5.566 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.282 -3.621 -3.236 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.979 -2.748 -4.077 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.935 -4.523 -3.970 1.00 15.00 H new ATOM 899 N ASN A 62 3.865 -3.309 -8.899 1.00 15.00 N ATOM 900 CA ASN A 62 4.530 -3.478 -10.182 1.00 15.00 C ATOM 901 C ASN A 62 4.217 -4.862 -10.750 1.00 15.00 C ATOM 902 O ASN A 62 4.883 -5.335 -11.671 1.00 15.00 O ATOM 903 CB ASN A 62 6.043 -3.290 -10.037 1.00 15.00 C ATOM 904 CG ASN A 62 6.468 -1.850 -10.255 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.392 -1.573 -11.019 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.793 -0.925 -9.581 1.00 15.00 N ATOM 0 H ASN A 62 3.141 -2.591 -8.888 1.00 15.00 H new ATOM 0 HA ASN A 62 4.159 -2.719 -10.871 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.353 -3.611 -9.043 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.557 -3.931 -10.754 1.00 15.00 H new ATOM 0 HD21 ASN A 62 6.034 0.060 -9.687 1.00 15.00 H new ATOM 0 HD22 ASN A 62 5.034 -1.200 -8.958 1.00 15.00 H new ATOM 913 N GLY A 63 3.186 -5.502 -10.191 1.00 15.00 N ATOM 914 CA GLY A 63 2.781 -6.818 -10.644 1.00 15.00 C ATOM 915 C GLY A 63 3.145 -7.926 -9.673 1.00 15.00 C ATOM 916 O GLY A 63 2.942 -9.103 -9.970 1.00 15.00 O ATOM 0 H GLY A 63 2.624 -5.125 -9.428 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.703 -6.824 -10.803 1.00 15.00 H new ATOM 0 HA3 GLY A 63 3.247 -7.022 -11.608 1.00 15.00 H new ATOM 920 N VAL A 64 3.671 -7.561 -8.508 1.00 15.00 N ATOM 921 CA VAL A 64 4.041 -8.551 -7.505 1.00 15.00 C ATOM 922 C VAL A 64 2.900 -8.766 -6.511 1.00 15.00 C ATOM 923 O VAL A 64 2.628 -7.917 -5.662 1.00 15.00 O ATOM 924 CB VAL A 64 5.332 -8.150 -6.755 1.00 15.00 C ATOM 925 CG1 VAL A 64 5.068 -7.048 -5.742 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.955 -9.363 -6.080 1.00 15.00 C ATOM 0 H VAL A 64 3.849 -6.594 -8.237 1.00 15.00 H new ATOM 0 HA VAL A 64 4.235 -9.487 -8.029 1.00 15.00 H new ATOM 0 HB VAL A 64 6.037 -7.760 -7.490 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.997 -6.791 -5.233 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.680 -6.168 -6.255 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.338 -7.394 -5.010 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.863 -9.062 -5.557 1.00 15.00 H new ATOM 0 HG22 VAL A 64 5.248 -9.785 -5.366 1.00 15.00 H new ATOM 0 HG23 VAL A 64 6.201 -10.112 -6.833 1.00 15.00 H new ATOM 936 N SER A 65 2.225 -9.902 -6.632 1.00 15.00 N ATOM 937 CA SER A 65 1.106 -10.222 -5.752 1.00 15.00 C ATOM 938 C SER A 65 1.536 -10.212 -4.290 1.00 15.00 C ATOM 939 O SER A 65 2.508 -10.866 -3.911 1.00 15.00 O ATOM 940 CB SER A 65 0.518 -11.587 -6.115 1.00 15.00 C ATOM 941 OG SER A 65 -0.897 -11.567 -6.048 1.00 15.00 O ATOM 0 H SER A 65 2.432 -10.617 -7.330 1.00 15.00 H new ATOM 0 HA SER A 65 0.342 -9.456 -5.889 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.834 -11.867 -7.120 1.00 15.00 H new ATOM 0 HB3 SER A 65 0.907 -12.346 -5.436 1.00 15.00 H new ATOM 0 HG SER A 65 -1.248 -12.450 -6.286 1.00 15.00 H new ATOM 947 N LEU A 66 0.801 -9.466 -3.472 1.00 15.00 N ATOM 948 CA LEU A 66 1.095 -9.367 -2.049 1.00 15.00 C ATOM 949 C LEU A 66 0.375 -10.464 -1.271 1.00 15.00 C ATOM 950 O LEU A 66 0.800 -10.842 -0.179 1.00 15.00 O ATOM 951 CB LEU A 66 0.688 -7.991 -1.517 1.00 15.00 C ATOM 952 CG LEU A 66 1.717 -7.319 -0.607 1.00 15.00 C ATOM 953 CD1 LEU A 66 2.011 -8.192 0.602 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.995 -7.023 -1.378 1.00 15.00 C ATOM 0 H LEU A 66 -0.006 -8.919 -3.773 1.00 15.00 H new ATOM 0 HA LEU A 66 2.169 -9.495 -1.913 1.00 15.00 H new ATOM 0 HB2 LEU A 66 0.491 -7.334 -2.364 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.248 -8.093 -0.968 1.00 15.00 H new ATOM 0 HG LEU A 66 1.302 -6.375 -0.254 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.745 -7.697 1.238 1.00 15.00 H new ATOM 0 HD12 LEU A 66 1.092 -8.354 1.166 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.406 -9.152 0.270 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.717 -6.545 -0.716 1.00 15.00 H new ATOM 0 HD22 LEU A 66 3.414 -7.954 -1.759 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.771 -6.358 -2.212 1.00 15.00 H new ATOM 966 N GLU A 67 -0.718 -10.974 -1.840 1.00 15.00 N ATOM 967 CA GLU A 67 -1.497 -12.032 -1.200 1.00 15.00 C ATOM 968 C GLU A 67 -0.584 -13.124 -0.649 1.00 15.00 C ATOM 969 O GLU A 67 -0.153 -14.015 -1.380 1.00 15.00 O ATOM 970 CB GLU A 67 -2.489 -12.636 -2.196 1.00 15.00 C ATOM 971 CG GLU A 67 -3.590 -11.677 -2.618 1.00 15.00 C ATOM 972 CD GLU A 67 -4.847 -11.828 -1.784 1.00 15.00 C ATOM 973 OE1 GLU A 67 -4.903 -11.242 -0.682 1.00 15.00 O ATOM 974 OE2 GLU A 67 -5.775 -12.534 -2.231 1.00 15.00 O ATOM 0 H GLU A 67 -1.083 -10.671 -2.743 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.048 -11.591 -0.369 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -1.946 -12.965 -3.082 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.942 -13.523 -1.752 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -3.225 -10.653 -2.537 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -3.832 -11.847 -3.667 1.00 15.00 H new ATOM 981 N GLY A 68 -0.288 -13.040 0.643 1.00 15.00 N ATOM 982 CA GLY A 68 0.579 -14.018 1.271 1.00 15.00 C ATOM 983 C GLY A 68 1.934 -13.436 1.622 1.00 15.00 C ATOM 984 O GLY A 68 2.961 -13.874 1.104 1.00 15.00 O ATOM 0 H GLY A 68 -0.634 -12.311 1.267 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.102 -14.397 2.175 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.712 -14.867 0.601 1.00 15.00 H new ATOM 988 N ALA A 69 1.932 -12.442 2.504 1.00 15.00 N ATOM 989 CA ALA A 69 3.163 -11.789 2.927 1.00 15.00 C ATOM 990 C ALA A 69 2.895 -10.810 4.065 1.00 15.00 C ATOM 991 O ALA A 69 1.835 -10.188 4.127 1.00 15.00 O ATOM 992 CB ALA A 69 3.810 -11.076 1.749 1.00 15.00 C ATOM 0 H ALA A 69 1.088 -12.071 2.940 1.00 15.00 H new ATOM 0 HA ALA A 69 3.849 -12.552 3.294 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.730 -10.591 2.077 1.00 15.00 H new ATOM 0 HB2 ALA A 69 4.040 -11.800 0.967 1.00 15.00 H new ATOM 0 HB3 ALA A 69 3.124 -10.325 1.357 1.00 15.00 H new ATOM 998 N THR A 70 3.857 -10.683 4.969 1.00 15.00 N ATOM 999 CA THR A 70 3.719 -9.785 6.110 1.00 15.00 C ATOM 1000 C THR A 70 3.834 -8.324 5.683 1.00 15.00 C ATOM 1001 O THR A 70 3.869 -8.011 4.494 1.00 15.00 O ATOM 1002 CB THR A 70 4.785 -10.098 7.161 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.031 -9.532 6.791 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.999 -11.580 7.378 1.00 15.00 C ATOM 0 H THR A 70 4.742 -11.190 4.935 1.00 15.00 H new ATOM 0 HA THR A 70 2.729 -9.941 6.538 1.00 15.00 H new ATOM 0 HB THR A 70 4.412 -9.665 8.089 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.701 -9.740 7.475 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.768 -11.729 8.136 1.00 15.00 H new ATOM 0 HG22 THR A 70 4.067 -12.037 7.711 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.316 -12.043 6.443 1.00 15.00 H new ATOM 1012 N HIS A 71 3.890 -7.437 6.670 1.00 15.00 N ATOM 1013 CA HIS A 71 3.999 -6.004 6.418 1.00 15.00 C ATOM 1014 C HIS A 71 5.330 -5.673 5.753 1.00 15.00 C ATOM 1015 O HIS A 71 5.368 -5.120 4.654 1.00 15.00 O ATOM 1016 CB HIS A 71 3.837 -5.235 7.739 1.00 15.00 C ATOM 1017 CG HIS A 71 4.781 -4.085 7.919 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.568 -3.930 9.041 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.060 -3.032 7.117 1.00 15.00 C ATOM 1020 CE1 HIS A 71 6.289 -2.830 8.922 1.00 15.00 C ATOM 1021 NE2 HIS A 71 6.000 -2.267 7.764 1.00 15.00 N ATOM 0 H HIS A 71 3.862 -7.687 7.658 1.00 15.00 H new ATOM 0 HA HIS A 71 3.205 -5.701 5.735 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.815 -4.861 7.802 1.00 15.00 H new ATOM 0 HB3 HIS A 71 3.973 -5.931 8.567 1.00 15.00 H new ATOM 0 HD1 HIS A 71 5.590 -4.566 9.838 1.00 15.00 H new ATOM 0 HD2 HIS A 71 4.625 -2.830 6.149 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.995 -2.455 9.648 1.00 15.00 H new ATOM 1030 N LYS A 72 6.420 -6.022 6.426 1.00 15.00 N ATOM 1031 CA LYS A 72 7.756 -5.768 5.899 1.00 15.00 C ATOM 1032 C LYS A 72 7.888 -6.325 4.488 1.00 15.00 C ATOM 1033 O LYS A 72 8.611 -5.776 3.658 1.00 15.00 O ATOM 1034 CB LYS A 72 8.813 -6.393 6.810 1.00 15.00 C ATOM 1035 CG LYS A 72 10.229 -5.938 6.500 1.00 15.00 C ATOM 1036 CD LYS A 72 11.219 -6.457 7.530 1.00 15.00 C ATOM 1037 CE LYS A 72 11.993 -7.657 7.005 1.00 15.00 C ATOM 1038 NZ LYS A 72 13.139 -7.246 6.148 1.00 15.00 N ATOM 0 H LYS A 72 6.405 -6.481 7.337 1.00 15.00 H new ATOM 0 HA LYS A 72 7.913 -4.690 5.864 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.580 -6.146 7.846 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.761 -7.478 6.721 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.516 -6.289 5.509 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.265 -4.849 6.476 1.00 15.00 H new ATOM 0 HD2 LYS A 72 11.916 -5.663 7.799 1.00 15.00 H new ATOM 0 HD3 LYS A 72 10.687 -6.736 8.439 1.00 15.00 H new ATOM 0 HE2 LYS A 72 12.361 -8.247 7.844 1.00 15.00 H new ATOM 0 HE3 LYS A 72 11.323 -8.299 6.433 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 13.738 -8.073 5.949 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.781 -6.855 5.253 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.700 -6.523 6.642 1.00 15.00 H new ATOM 1052 N GLN A 73 7.171 -7.412 4.218 1.00 15.00 N ATOM 1053 CA GLN A 73 7.202 -8.026 2.899 1.00 15.00 C ATOM 1054 C GLN A 73 6.733 -7.022 1.856 1.00 15.00 C ATOM 1055 O GLN A 73 7.399 -6.810 0.842 1.00 15.00 O ATOM 1056 CB GLN A 73 6.324 -9.276 2.868 1.00 15.00 C ATOM 1057 CG GLN A 73 6.846 -10.400 3.747 1.00 15.00 C ATOM 1058 CD GLN A 73 6.539 -11.774 3.185 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.977 -12.627 3.872 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.911 -11.996 1.929 1.00 15.00 N ATOM 0 H GLN A 73 6.566 -7.882 4.892 1.00 15.00 H new ATOM 0 HA GLN A 73 8.225 -8.324 2.672 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.316 -9.012 3.189 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.248 -9.633 1.841 1.00 15.00 H new ATOM 0 HG2 GLN A 73 7.924 -10.293 3.864 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.407 -10.312 4.741 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.374 -11.260 1.397 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.733 -12.903 1.497 1.00 15.00 H new ATOM 1069 N ALA A 74 5.599 -6.380 2.125 1.00 15.00 N ATOM 1070 CA ALA A 74 5.073 -5.374 1.218 1.00 15.00 C ATOM 1071 C ALA A 74 6.000 -4.172 1.202 1.00 15.00 C ATOM 1072 O ALA A 74 6.347 -3.657 0.141 1.00 15.00 O ATOM 1073 CB ALA A 74 3.675 -4.958 1.622 1.00 15.00 C ATOM 0 H ALA A 74 5.033 -6.540 2.958 1.00 15.00 H new ATOM 0 HA ALA A 74 5.017 -5.800 0.216 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.305 -4.204 0.927 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.017 -5.826 1.601 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.696 -4.543 2.630 1.00 15.00 H new ATOM 1079 N VAL A 75 6.423 -3.749 2.394 1.00 15.00 N ATOM 1080 CA VAL A 75 7.346 -2.628 2.528 1.00 15.00 C ATOM 1081 C VAL A 75 8.436 -2.761 1.480 1.00 15.00 C ATOM 1082 O VAL A 75 8.818 -1.793 0.825 1.00 15.00 O ATOM 1083 CB VAL A 75 7.962 -2.597 3.950 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.465 -2.847 3.930 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.650 -1.288 4.648 1.00 15.00 C ATOM 0 H VAL A 75 6.139 -4.168 3.280 1.00 15.00 H new ATOM 0 HA VAL A 75 6.807 -1.693 2.377 1.00 15.00 H new ATOM 0 HB VAL A 75 7.503 -3.410 4.513 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.853 -2.816 4.948 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.665 -3.826 3.495 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.954 -2.078 3.332 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.093 -1.292 5.644 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.062 -0.460 4.070 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.570 -1.169 4.732 1.00 15.00 H new ATOM 1095 N GLU A 76 8.901 -3.990 1.313 1.00 15.00 N ATOM 1096 CA GLU A 76 9.916 -4.289 0.324 1.00 15.00 C ATOM 1097 C GLU A 76 9.352 -4.097 -1.079 1.00 15.00 C ATOM 1098 O GLU A 76 10.000 -3.506 -1.937 1.00 15.00 O ATOM 1099 CB GLU A 76 10.423 -5.723 0.493 1.00 15.00 C ATOM 1100 CG GLU A 76 10.780 -6.078 1.928 1.00 15.00 C ATOM 1101 CD GLU A 76 12.230 -6.495 2.083 1.00 15.00 C ATOM 1102 OE1 GLU A 76 12.707 -7.303 1.259 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.888 -6.013 3.029 1.00 15.00 O ATOM 0 H GLU A 76 8.588 -4.796 1.854 1.00 15.00 H new ATOM 0 HA GLU A 76 10.752 -3.605 0.468 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.659 -6.414 0.136 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.301 -5.866 -0.137 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.582 -5.220 2.570 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.135 -6.887 2.269 1.00 15.00 H new ATOM 1110 N THR A 77 8.135 -4.597 -1.307 1.00 15.00 N ATOM 1111 CA THR A 77 7.496 -4.470 -2.614 1.00 15.00 C ATOM 1112 C THR A 77 7.224 -3.008 -2.967 1.00 15.00 C ATOM 1113 O THR A 77 7.644 -2.533 -4.022 1.00 15.00 O ATOM 1114 CB THR A 77 6.199 -5.276 -2.665 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.265 -4.796 -1.716 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.402 -6.753 -2.406 1.00 15.00 C ATOM 0 H THR A 77 7.578 -5.089 -0.608 1.00 15.00 H new ATOM 0 HA THR A 77 8.188 -4.872 -3.354 1.00 15.00 H new ATOM 0 HB THR A 77 5.824 -5.149 -3.681 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.734 -4.278 -1.029 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.442 -7.267 -2.457 1.00 15.00 H new ATOM 0 HG22 THR A 77 7.074 -7.165 -3.158 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.836 -6.892 -1.416 1.00 15.00 H new ATOM 1124 N LEU A 78 6.524 -2.295 -2.083 1.00 15.00 N ATOM 1125 CA LEU A 78 6.212 -0.885 -2.324 1.00 15.00 C ATOM 1126 C LEU A 78 7.488 -0.117 -2.625 1.00 15.00 C ATOM 1127 O LEU A 78 7.559 0.658 -3.578 1.00 15.00 O ATOM 1128 CB LEU A 78 5.521 -0.255 -1.109 1.00 15.00 C ATOM 1129 CG LEU A 78 4.511 -1.145 -0.385 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.854 -0.382 0.755 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.460 -1.665 -1.357 1.00 15.00 C ATOM 0 H LEU A 78 6.166 -2.665 -1.203 1.00 15.00 H new ATOM 0 HA LEU A 78 5.535 -0.833 -3.177 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.287 0.048 -0.395 1.00 15.00 H new ATOM 0 HB3 LEU A 78 5.011 0.652 -1.434 1.00 15.00 H new ATOM 0 HG LEU A 78 5.042 -2.000 0.032 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.137 -1.029 1.261 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.616 -0.060 1.465 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.337 0.491 0.358 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.751 -2.296 -0.822 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.931 -0.824 -1.805 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.945 -2.247 -2.140 1.00 15.00 H new ATOM 1143 N ARG A 79 8.495 -0.351 -1.798 1.00 15.00 N ATOM 1144 CA ARG A 79 9.784 0.297 -1.950 1.00 15.00 C ATOM 1145 C ARG A 79 10.497 -0.199 -3.208 1.00 15.00 C ATOM 1146 O ARG A 79 10.817 0.586 -4.101 1.00 15.00 O ATOM 1147 CB ARG A 79 10.637 0.027 -0.711 1.00 15.00 C ATOM 1148 CG ARG A 79 11.604 1.153 -0.378 1.00 15.00 C ATOM 1149 CD ARG A 79 11.201 1.876 0.898 1.00 15.00 C ATOM 1150 NE ARG A 79 12.213 2.840 1.324 1.00 15.00 N ATOM 1151 CZ ARG A 79 13.328 2.506 1.969 1.00 15.00 C ATOM 1152 NH1 ARG A 79 13.578 1.236 2.262 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.196 3.444 2.321 1.00 15.00 N ATOM 0 H ARG A 79 8.440 -0.993 -1.007 1.00 15.00 H new ATOM 0 HA ARG A 79 9.630 1.371 -2.055 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.980 -0.140 0.142 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.202 -0.893 -0.863 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.610 0.749 -0.266 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.636 1.863 -1.205 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.254 2.391 0.739 1.00 15.00 H new ATOM 0 HD3 ARG A 79 11.038 1.147 1.692 1.00 15.00 H new ATOM 0 HE ARG A 79 12.056 3.826 1.115 1.00 15.00 H new ATOM 0 HH11 ARG A 79 12.914 0.510 1.993 1.00 15.00 H new ATOM 0 HH12 ARG A 79 14.434 0.986 2.757 1.00 15.00 H new ATOM 0 HH21 ARG A 79 14.009 4.422 2.097 1.00 15.00 H new ATOM 0 HH22 ARG A 79 15.051 3.188 2.815 1.00 15.00 H new ATOM 1167 N ASN A 80 10.744 -1.506 -3.266 1.00 15.00 N ATOM 1168 CA ASN A 80 11.422 -2.120 -4.408 1.00 15.00 C ATOM 1169 C ASN A 80 10.586 -2.038 -5.687 1.00 15.00 C ATOM 1170 O ASN A 80 10.238 -3.064 -6.272 1.00 15.00 O ATOM 1171 CB ASN A 80 11.752 -3.586 -4.109 1.00 15.00 C ATOM 1172 CG ASN A 80 12.884 -3.734 -3.109 1.00 15.00 C ATOM 1173 OD1 ASN A 80 14.025 -4.002 -3.484 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.573 -3.562 -1.830 1.00 15.00 N ATOM 0 H ASN A 80 10.483 -2.164 -2.532 1.00 15.00 H new ATOM 0 HA ASN A 80 12.343 -1.559 -4.570 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.863 -4.084 -3.723 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.022 -4.091 -5.036 1.00 15.00 H new ATOM 0 HD21 ASN A 80 13.293 -3.651 -1.114 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.614 -3.341 -1.564 1.00 15.00 H new ATOM 1181 N THR A 81 10.281 -0.825 -6.133 1.00 15.00 N ATOM 1182 CA THR A 81 9.506 -0.646 -7.356 1.00 15.00 C ATOM 1183 C THR A 81 10.443 -0.417 -8.539 1.00 15.00 C ATOM 1184 O THR A 81 10.610 -1.292 -9.388 1.00 15.00 O ATOM 1185 CB THR A 81 8.520 0.518 -7.213 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.791 1.267 -6.041 1.00 15.00 O ATOM 1187 CG2 THR A 81 7.073 0.069 -7.149 1.00 15.00 C ATOM 0 H THR A 81 10.555 0.042 -5.671 1.00 15.00 H new ATOM 0 HA THR A 81 8.928 -1.553 -7.536 1.00 15.00 H new ATOM 0 HB THR A 81 8.658 1.126 -8.107 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.270 0.906 -5.294 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.426 0.940 -7.048 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.818 -0.468 -8.062 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.934 -0.588 -6.291 1.00 15.00 H new ATOM 1195 N GLY A 82 11.067 0.757 -8.578 1.00 15.00 N ATOM 1196 CA GLY A 82 11.994 1.070 -9.646 1.00 15.00 C ATOM 1197 C GLY A 82 11.542 2.238 -10.498 1.00 15.00 C ATOM 1198 O GLY A 82 11.684 3.396 -10.108 1.00 15.00 O ATOM 0 H GLY A 82 10.945 1.497 -7.887 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.970 1.296 -9.218 1.00 15.00 H new ATOM 0 HA3 GLY A 82 12.120 0.192 -10.280 1.00 15.00 H new ATOM 1202 N GLN A 83 11.008 1.925 -11.668 1.00 15.00 N ATOM 1203 CA GLN A 83 10.539 2.949 -12.598 1.00 15.00 C ATOM 1204 C GLN A 83 9.359 3.732 -12.019 1.00 15.00 C ATOM 1205 O GLN A 83 9.545 4.778 -11.397 1.00 15.00 O ATOM 1206 CB GLN A 83 10.157 2.326 -13.950 1.00 15.00 C ATOM 1207 CG GLN A 83 9.576 0.923 -13.850 1.00 15.00 C ATOM 1208 CD GLN A 83 8.454 0.686 -14.842 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.283 0.623 -14.469 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.808 0.553 -16.115 1.00 15.00 N ATOM 0 H GLN A 83 10.887 0.968 -12.000 1.00 15.00 H new ATOM 0 HA GLN A 83 11.360 3.648 -12.757 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.431 2.973 -14.443 1.00 15.00 H new ATOM 0 HB3 GLN A 83 11.042 2.296 -14.586 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.367 0.193 -14.020 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.203 0.759 -12.839 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.791 0.612 -16.380 1.00 15.00 H new ATOM 0 HE22 GLN A 83 8.097 0.392 -16.828 1.00 15.00 H new ATOM 1219 N VAL A 84 8.148 3.225 -12.232 1.00 15.00 N ATOM 1220 CA VAL A 84 6.944 3.876 -11.737 1.00 15.00 C ATOM 1221 C VAL A 84 6.316 3.069 -10.605 1.00 15.00 C ATOM 1222 O VAL A 84 6.585 1.877 -10.452 1.00 15.00 O ATOM 1223 CB VAL A 84 5.916 4.066 -12.875 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.603 4.630 -12.349 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.488 4.972 -13.953 1.00 15.00 C ATOM 0 H VAL A 84 7.977 2.361 -12.747 1.00 15.00 H new ATOM 0 HA VAL A 84 7.231 4.855 -11.353 1.00 15.00 H new ATOM 0 HB VAL A 84 5.708 3.087 -13.307 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.902 4.751 -13.175 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.182 3.945 -11.613 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.784 5.598 -11.882 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.754 5.098 -14.749 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.727 5.944 -13.522 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.394 4.524 -14.362 1.00 15.00 H new ATOM 1235 N VAL A 85 5.473 3.722 -9.818 1.00 15.00 N ATOM 1236 CA VAL A 85 4.806 3.067 -8.708 1.00 15.00 C ATOM 1237 C VAL A 85 3.399 2.638 -9.119 1.00 15.00 C ATOM 1238 O VAL A 85 2.415 3.318 -8.832 1.00 15.00 O ATOM 1239 CB VAL A 85 4.748 4.000 -7.473 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.608 3.631 -6.532 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.074 3.979 -6.731 1.00 15.00 C ATOM 0 H VAL A 85 5.236 4.708 -9.930 1.00 15.00 H new ATOM 0 HA VAL A 85 5.379 2.180 -8.436 1.00 15.00 H new ATOM 0 HB VAL A 85 4.558 5.010 -7.836 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.605 4.311 -5.680 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.659 3.709 -7.062 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.744 2.608 -6.180 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.017 4.640 -5.866 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.289 2.963 -6.399 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.868 4.319 -7.396 1.00 15.00 H new ATOM 1251 N HIS A 86 3.320 1.498 -9.799 1.00 15.00 N ATOM 1252 CA HIS A 86 2.043 0.962 -10.254 1.00 15.00 C ATOM 1253 C HIS A 86 1.522 -0.067 -9.258 1.00 15.00 C ATOM 1254 O HIS A 86 1.695 -1.271 -9.444 1.00 15.00 O ATOM 1255 CB HIS A 86 2.194 0.324 -11.636 1.00 15.00 C ATOM 1256 CG HIS A 86 0.967 0.438 -12.486 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.285 0.701 -11.971 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.803 0.322 -13.826 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.165 0.741 -12.955 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.530 0.515 -14.090 1.00 15.00 N ATOM 0 H HIS A 86 4.128 0.927 -10.047 1.00 15.00 H new ATOM 0 HA HIS A 86 1.328 1.781 -10.324 1.00 15.00 H new ATOM 0 HB2 HIS A 86 3.030 0.794 -12.154 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.445 -0.730 -11.515 1.00 15.00 H new ATOM 0 HD2 HIS A 86 1.577 0.116 -14.551 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.224 0.927 -12.849 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -0.961 0.488 -15.014 1.00 15.00 H new ATOM 1269 N LEU A 87 0.902 0.420 -8.190 1.00 15.00 N ATOM 1270 CA LEU A 87 0.375 -0.448 -7.148 1.00 15.00 C ATOM 1271 C LEU A 87 -1.139 -0.598 -7.245 1.00 15.00 C ATOM 1272 O LEU A 87 -1.872 0.387 -7.211 1.00 15.00 O ATOM 1273 CB LEU A 87 0.747 0.111 -5.774 1.00 15.00 C ATOM 1274 CG LEU A 87 1.669 -0.777 -4.947 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.811 0.036 -4.354 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.882 -1.476 -3.851 1.00 15.00 C ATOM 0 H LEU A 87 0.752 1.415 -8.024 1.00 15.00 H new ATOM 0 HA LEU A 87 0.818 -1.435 -7.284 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.227 1.080 -5.910 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.169 0.285 -5.209 1.00 15.00 H new ATOM 0 HG LEU A 87 2.099 -1.535 -5.602 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.457 -0.618 -3.768 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.389 0.491 -5.158 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.406 0.817 -3.711 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.552 -2.107 -3.268 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.426 -0.731 -3.199 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.102 -2.092 -4.299 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.602 -1.841 -7.336 1.00 15.00 N ATOM 1289 CA LEU A 88 -3.032 -2.119 -7.403 1.00 15.00 C ATOM 1290 C LEU A 88 -3.517 -2.600 -6.043 1.00 15.00 C ATOM 1291 O LEU A 88 -3.290 -3.749 -5.663 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.338 -3.169 -8.476 1.00 15.00 C ATOM 1293 CG LEU A 88 -2.521 -3.067 -9.773 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.159 -1.621 -10.096 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -1.269 -3.925 -9.680 1.00 15.00 C ATOM 0 H LEU A 88 -1.009 -2.670 -7.365 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.555 -1.202 -7.674 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -3.176 -4.157 -8.045 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.396 -3.102 -8.730 1.00 15.00 H new ATOM 0 HG LEU A 88 -3.142 -3.440 -10.588 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -1.581 -1.588 -11.020 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -3.071 -1.036 -10.217 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.566 -1.204 -9.282 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -0.701 -3.842 -10.607 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -0.655 -3.584 -8.846 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -1.552 -4.965 -9.520 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.161 -1.709 -5.301 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.646 -2.043 -3.968 1.00 15.00 C ATOM 1309 C LEU A 89 -6.156 -2.232 -3.939 1.00 15.00 C ATOM 1310 O LEU A 89 -6.807 -2.380 -4.974 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.268 -0.953 -2.963 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.269 0.080 -3.454 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.333 1.313 -2.577 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.875 -0.506 -3.458 1.00 15.00 C ATOM 0 H LEU A 89 -4.359 -0.753 -5.598 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.171 -2.985 -3.693 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.177 -0.435 -2.658 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.860 -1.432 -2.073 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.521 0.368 -4.475 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.614 2.051 -2.934 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.337 1.736 -2.616 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -3.094 1.041 -1.549 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.166 0.243 -3.812 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.606 -0.811 -2.447 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.847 -1.373 -4.118 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.697 -2.197 -2.727 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.125 -2.334 -2.503 1.00 15.00 C ATOM 1328 C GLU A 90 -8.568 -1.343 -1.431 1.00 15.00 C ATOM 1329 O GLU A 90 -7.906 -1.193 -0.403 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.468 -3.777 -2.101 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.498 -3.895 -0.987 1.00 15.00 C ATOM 1332 CD GLU A 90 -10.048 -5.301 -0.847 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.852 -6.110 -1.779 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -10.674 -5.593 0.193 1.00 15.00 O ATOM 0 H GLU A 90 -6.154 -2.072 -1.873 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.661 -2.112 -3.426 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.839 -4.307 -2.979 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.553 -4.280 -1.788 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.044 -3.591 -0.044 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.319 -3.205 -1.182 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.677 -0.657 -1.680 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.190 0.331 -0.738 1.00 15.00 C ATOM 1343 C LYS A 91 -10.204 -0.214 0.687 1.00 15.00 C ATOM 1344 O LYS A 91 -11.051 -1.035 1.041 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.594 0.771 -1.146 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.196 1.816 -0.220 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.390 3.105 -0.227 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.892 4.071 -1.287 1.00 15.00 C ATOM 1349 NZ LYS A 91 -11.967 3.433 -2.630 1.00 15.00 N ATOM 0 H LYS A 91 -10.238 -0.766 -2.525 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.524 1.193 -0.762 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.560 1.171 -2.159 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.247 -0.101 -1.169 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.221 2.026 -0.526 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -12.241 1.420 0.795 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.449 3.577 0.754 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.340 2.877 -0.409 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -12.878 4.439 -1.005 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -11.230 4.936 -1.333 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.182 4.156 -3.346 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -11.055 2.985 -2.853 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -12.716 2.712 -2.630 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.257 0.248 1.497 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.173 -0.202 2.873 1.00 15.00 C ATOM 1365 C GLY A 92 -10.398 0.173 3.684 1.00 15.00 C ATOM 1366 O GLY A 92 -10.980 1.239 3.484 1.00 15.00 O ATOM 0 H GLY A 92 -8.546 0.927 1.224 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.048 -1.285 2.890 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.287 0.229 3.339 1.00 15.00 H new