USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 27 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.31!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-3.1) USER MOD Single : A 36 TYR OH : rot 115:sc= -1.33 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 79:sc= 0.561 USER MOD Single : A 53 HIS : no HD1:sc= -0.195 K(o=-0.2,f=-0.89) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.97! C(o=-6!,f=-4.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= -13! C(o=-13!,f=-14!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.277 K(o=-0.28,f=-5.4!) USER MOD Single : A 77 THR OG1 : rot -27:sc= -2.44! USER MOD Single : A 80 ASN : amide:sc= -2.22 X(o=-2.2,f=-1.8) USER MOD Single : A 81 THR OG1 : rot -89:sc= 0.59 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 86 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.33) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.833 -2.087 -5.331 1.00 15.00 N ATOM 73 CA ILE A 6 -10.385 -2.026 -5.371 1.00 15.00 C ATOM 74 C ILE A 6 -9.904 -0.802 -6.147 1.00 15.00 C ATOM 75 O ILE A 6 -10.541 -0.373 -7.109 1.00 15.00 O ATOM 76 CB ILE A 6 -9.824 -3.310 -6.020 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.298 -4.263 -4.946 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.728 -2.992 -7.034 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.391 -4.884 -4.103 1.00 15.00 C ATOM 0 HA ILE A 6 -10.021 -1.944 -4.347 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.640 -3.796 -6.555 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.724 -5.056 -5.425 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.612 -3.721 -4.295 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.356 -3.919 -7.471 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -9.134 -2.357 -7.821 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.910 -2.473 -6.535 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.946 -5.548 -3.362 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.950 -4.098 -3.596 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -11.065 -5.454 -4.743 1.00 15.00 H new ATOM 91 N PHE A 7 -8.765 -0.261 -5.733 1.00 15.00 N ATOM 92 CA PHE A 7 -8.185 0.895 -6.401 1.00 15.00 C ATOM 93 C PHE A 7 -6.668 0.749 -6.488 1.00 15.00 C ATOM 94 O PHE A 7 -6.080 -0.085 -5.804 1.00 15.00 O ATOM 95 CB PHE A 7 -8.568 2.193 -5.676 1.00 15.00 C ATOM 96 CG PHE A 7 -7.692 2.529 -4.499 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.418 3.044 -4.690 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.145 2.336 -3.205 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.614 3.358 -3.612 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.344 2.648 -2.123 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.077 3.160 -2.327 1.00 15.00 C ATOM 0 H PHE A 7 -8.226 -0.605 -4.938 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.586 0.946 -7.413 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.531 3.017 -6.388 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.600 2.113 -5.334 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -6.051 3.201 -5.693 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.135 1.937 -3.039 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.624 3.758 -3.774 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.708 2.492 -1.118 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.450 3.405 -1.482 1.00 15.00 H new ATOM 111 N GLU A 8 -6.042 1.552 -7.340 1.00 15.00 N ATOM 112 CA GLU A 8 -4.595 1.493 -7.519 1.00 15.00 C ATOM 113 C GLU A 8 -3.958 2.874 -7.419 1.00 15.00 C ATOM 114 O GLU A 8 -4.521 3.871 -7.870 1.00 15.00 O ATOM 115 CB GLU A 8 -4.264 0.881 -8.877 1.00 15.00 C ATOM 116 CG GLU A 8 -5.004 1.536 -10.025 1.00 15.00 C ATOM 117 CD GLU A 8 -4.951 0.717 -11.299 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.054 -0.525 -11.211 1.00 15.00 O ATOM 119 OE2 GLU A 8 -4.807 1.316 -12.385 1.00 15.00 O ATOM 0 H GLU A 8 -6.511 2.250 -7.917 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.189 0.872 -6.720 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.191 0.961 -9.052 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.505 -0.182 -8.857 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -6.045 1.690 -9.740 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.576 2.521 -10.213 1.00 15.00 H new ATOM 126 N VAL A 9 -2.767 2.908 -6.841 1.00 15.00 N ATOM 127 CA VAL A 9 -2.009 4.143 -6.686 1.00 15.00 C ATOM 128 C VAL A 9 -0.921 4.217 -7.747 1.00 15.00 C ATOM 129 O VAL A 9 -0.022 3.376 -7.788 1.00 15.00 O ATOM 130 CB VAL A 9 -1.383 4.272 -5.268 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.501 2.968 -4.494 1.00 15.00 C ATOM 132 CG2 VAL A 9 0.076 4.712 -5.338 1.00 15.00 C ATOM 0 H VAL A 9 -2.298 2.083 -6.467 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.703 4.974 -6.811 1.00 15.00 H new ATOM 0 HB VAL A 9 -1.945 5.041 -4.739 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -1.055 3.089 -3.507 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.553 2.702 -4.387 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.980 2.177 -5.033 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.481 4.792 -4.329 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.651 3.978 -5.903 1.00 15.00 H new ATOM 0 HG23 VAL A 9 0.140 5.681 -5.832 1.00 15.00 H new ATOM 142 N GLU A 10 -1.013 5.213 -8.611 1.00 15.00 N ATOM 143 CA GLU A 10 -0.041 5.377 -9.676 1.00 15.00 C ATOM 144 C GLU A 10 0.911 6.536 -9.402 1.00 15.00 C ATOM 145 O GLU A 10 0.856 7.570 -10.069 1.00 15.00 O ATOM 146 CB GLU A 10 -0.764 5.580 -11.001 1.00 15.00 C ATOM 147 CG GLU A 10 0.164 5.840 -12.177 1.00 15.00 C ATOM 148 CD GLU A 10 -0.376 5.283 -13.480 1.00 15.00 C ATOM 149 OE1 GLU A 10 -1.177 4.326 -13.430 1.00 15.00 O ATOM 150 OE2 GLU A 10 0.003 5.803 -14.551 1.00 15.00 O ATOM 0 H GLU A 10 -1.749 5.919 -8.596 1.00 15.00 H new ATOM 0 HA GLU A 10 0.563 4.471 -9.727 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.366 4.696 -11.214 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.453 6.419 -10.903 1.00 15.00 H new ATOM 0 HG2 GLU A 10 0.320 6.914 -12.282 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.138 5.395 -11.972 1.00 15.00 H new ATOM 157 N LEU A 11 1.795 6.349 -8.429 1.00 15.00 N ATOM 158 CA LEU A 11 2.772 7.372 -8.083 1.00 15.00 C ATOM 159 C LEU A 11 4.020 7.208 -8.943 1.00 15.00 C ATOM 160 O LEU A 11 4.210 6.170 -9.573 1.00 15.00 O ATOM 161 CB LEU A 11 3.143 7.285 -6.601 1.00 15.00 C ATOM 162 CG LEU A 11 3.329 8.630 -5.893 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.045 9.445 -5.937 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.775 8.416 -4.454 1.00 15.00 C ATOM 0 H LEU A 11 1.855 5.500 -7.867 1.00 15.00 H new ATOM 0 HA LEU A 11 2.331 8.351 -8.271 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.366 6.724 -6.081 1.00 15.00 H new ATOM 0 HB3 LEU A 11 4.066 6.713 -6.507 1.00 15.00 H new ATOM 0 HG LEU A 11 4.105 9.188 -6.417 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.200 10.396 -5.428 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.767 9.630 -6.975 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.247 8.894 -5.440 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.903 9.382 -3.965 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.021 7.837 -3.922 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.722 7.876 -4.443 1.00 15.00 H new ATOM 176 N ALA A 12 4.864 8.230 -8.974 1.00 15.00 N ATOM 177 CA ALA A 12 6.084 8.177 -9.771 1.00 15.00 C ATOM 178 C ALA A 12 7.279 7.750 -8.928 1.00 15.00 C ATOM 179 O ALA A 12 7.929 8.575 -8.286 1.00 15.00 O ATOM 180 CB ALA A 12 6.352 9.521 -10.426 1.00 15.00 C ATOM 0 H ALA A 12 4.729 9.101 -8.461 1.00 15.00 H new ATOM 0 HA ALA A 12 5.939 7.429 -10.551 1.00 15.00 H new ATOM 0 HB1 ALA A 12 7.266 9.462 -11.016 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.517 9.782 -11.076 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.466 10.285 -9.656 1.00 15.00 H new ATOM 186 N LYS A 13 7.562 6.453 -8.938 1.00 15.00 N ATOM 187 CA LYS A 13 8.679 5.903 -8.180 1.00 15.00 C ATOM 188 C LYS A 13 9.992 6.569 -8.585 1.00 15.00 C ATOM 189 O LYS A 13 10.899 6.725 -7.768 1.00 15.00 O ATOM 190 CB LYS A 13 8.766 4.391 -8.400 1.00 15.00 C ATOM 191 CG LYS A 13 9.258 3.626 -7.184 1.00 15.00 C ATOM 192 CD LYS A 13 10.662 4.048 -6.787 1.00 15.00 C ATOM 193 CE LYS A 13 10.649 4.921 -5.543 1.00 15.00 C ATOM 194 NZ LYS A 13 12.003 5.044 -4.935 1.00 15.00 N ATOM 0 H LYS A 13 7.031 5.760 -9.465 1.00 15.00 H new ATOM 0 HA LYS A 13 8.508 6.102 -7.122 1.00 15.00 H new ATOM 0 HB2 LYS A 13 7.782 4.016 -8.681 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.434 4.192 -9.238 1.00 15.00 H new ATOM 0 HG2 LYS A 13 8.578 3.793 -6.349 1.00 15.00 H new ATOM 0 HG3 LYS A 13 9.245 2.557 -7.397 1.00 15.00 H new ATOM 0 HD2 LYS A 13 11.272 3.163 -6.606 1.00 15.00 H new ATOM 0 HD3 LYS A 13 11.126 4.592 -7.610 1.00 15.00 H new ATOM 0 HE2 LYS A 13 10.275 5.912 -5.799 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.960 4.500 -4.811 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 11.950 5.647 -4.089 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 12.350 4.101 -4.667 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 12.655 5.470 -5.624 1.00 15.00 H new ATOM 259 N LEU A 18 8.916 7.044 -1.809 1.00 15.00 N ATOM 260 CA LEU A 18 7.638 7.059 -1.118 1.00 15.00 C ATOM 261 C LEU A 18 7.705 7.950 0.118 1.00 15.00 C ATOM 262 O LEU A 18 8.662 8.700 0.308 1.00 15.00 O ATOM 263 CB LEU A 18 7.213 5.638 -0.725 1.00 15.00 C ATOM 264 CG LEU A 18 7.191 4.624 -1.871 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.395 5.166 -3.049 1.00 15.00 C ATOM 266 CD2 LEU A 18 8.607 4.271 -2.299 1.00 15.00 C ATOM 0 HA LEU A 18 6.892 7.466 -1.800 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.890 5.274 0.048 1.00 15.00 H new ATOM 0 HB3 LEU A 18 6.218 5.683 -0.282 1.00 15.00 H new ATOM 0 HG LEU A 18 6.703 3.716 -1.517 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.391 4.431 -3.854 1.00 15.00 H new ATOM 0 HD12 LEU A 18 5.371 5.366 -2.735 1.00 15.00 H new ATOM 0 HD13 LEU A 18 6.853 6.090 -3.403 1.00 15.00 H new ATOM 0 HD21 LEU A 18 8.571 3.549 -3.115 1.00 15.00 H new ATOM 0 HD22 LEU A 18 9.121 5.172 -2.634 1.00 15.00 H new ATOM 0 HD23 LEU A 18 9.145 3.839 -1.455 1.00 15.00 H new ATOM 278 N GLY A 19 6.676 7.861 0.947 1.00 15.00 N ATOM 279 CA GLY A 19 6.610 8.658 2.156 1.00 15.00 C ATOM 280 C GLY A 19 5.546 8.146 3.093 1.00 15.00 C ATOM 281 O GLY A 19 4.919 8.914 3.810 1.00 15.00 O ATOM 0 H GLY A 19 5.877 7.244 0.802 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.578 8.642 2.658 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.402 9.696 1.898 1.00 15.00 H new ATOM 285 N ILE A 20 5.321 6.841 3.062 1.00 15.00 N ATOM 286 CA ILE A 20 4.315 6.223 3.907 1.00 15.00 C ATOM 287 C ILE A 20 4.927 5.286 4.947 1.00 15.00 C ATOM 288 O ILE A 20 5.841 4.519 4.645 1.00 15.00 O ATOM 289 CB ILE A 20 3.283 5.449 3.061 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.874 5.932 3.381 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.391 3.951 3.300 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.792 4.997 2.903 1.00 15.00 C ATOM 0 H ILE A 20 5.824 6.190 2.459 1.00 15.00 H new ATOM 0 HA ILE A 20 3.815 7.034 4.436 1.00 15.00 H new ATOM 0 HB ILE A 20 3.495 5.640 2.009 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.780 6.062 4.459 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.723 6.911 2.927 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.652 3.431 2.691 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.390 3.610 3.028 1.00 15.00 H new ATOM 0 HG23 ILE A 20 3.209 3.736 4.353 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.184 5.405 3.166 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.859 4.885 1.821 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.917 4.023 3.377 1.00 15.00 H new ATOM 304 N SER A 21 4.371 5.309 6.150 1.00 15.00 N ATOM 305 CA SER A 21 4.812 4.415 7.211 1.00 15.00 C ATOM 306 C SER A 21 3.878 3.206 7.227 1.00 15.00 C ATOM 307 O SER A 21 2.717 3.320 7.618 1.00 15.00 O ATOM 308 CB SER A 21 4.806 5.132 8.565 1.00 15.00 C ATOM 309 OG SER A 21 4.623 4.216 9.631 1.00 15.00 O ATOM 0 H SER A 21 3.613 5.938 6.416 1.00 15.00 H new ATOM 0 HA SER A 21 5.836 4.091 7.026 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.746 5.667 8.700 1.00 15.00 H new ATOM 0 HB3 SER A 21 4.010 5.876 8.581 1.00 15.00 H new ATOM 0 HG SER A 21 4.625 4.701 10.483 1.00 15.00 H new ATOM 315 N VAL A 22 4.366 2.063 6.751 1.00 15.00 N ATOM 316 CA VAL A 22 3.533 0.862 6.667 1.00 15.00 C ATOM 317 C VAL A 22 3.662 -0.037 7.890 1.00 15.00 C ATOM 318 O VAL A 22 4.713 -0.098 8.525 1.00 15.00 O ATOM 319 CB VAL A 22 3.889 0.028 5.424 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.514 0.763 4.149 1.00 15.00 C ATOM 321 CG2 VAL A 22 5.368 -0.318 5.430 1.00 15.00 C ATOM 0 H VAL A 22 5.323 1.941 6.420 1.00 15.00 H new ATOM 0 HA VAL A 22 2.507 1.224 6.606 1.00 15.00 H new ATOM 0 HB VAL A 22 3.314 -0.898 5.456 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.776 0.151 3.286 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.442 0.958 4.143 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.055 1.708 4.102 1.00 15.00 H new ATOM 0 HG21 VAL A 22 5.607 -0.908 4.545 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.956 0.600 5.424 1.00 15.00 H new ATOM 0 HG23 VAL A 22 5.603 -0.894 6.325 1.00 15.00 H new ATOM 331 N THR A 23 2.572 -0.741 8.199 1.00 15.00 N ATOM 332 CA THR A 23 2.539 -1.659 9.331 1.00 15.00 C ATOM 333 C THR A 23 1.563 -2.815 9.070 1.00 15.00 C ATOM 334 O THR A 23 0.927 -2.881 8.013 1.00 15.00 O ATOM 335 CB THR A 23 2.155 -0.909 10.605 1.00 15.00 C ATOM 336 OG1 THR A 23 2.176 -1.773 11.730 1.00 15.00 O ATOM 337 CG2 THR A 23 0.788 -0.275 10.526 1.00 15.00 C ATOM 0 H THR A 23 1.698 -0.690 7.676 1.00 15.00 H new ATOM 0 HA THR A 23 3.535 -2.083 9.461 1.00 15.00 H new ATOM 0 HB THR A 23 2.898 -0.119 10.714 1.00 15.00 H new ATOM 0 HG1 THR A 23 1.928 -1.270 12.534 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.573 0.243 11.461 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.765 0.438 9.702 1.00 15.00 H new ATOM 0 HG23 THR A 23 0.038 -1.048 10.358 1.00 15.00 H new ATOM 345 N GLY A 24 1.448 -3.722 10.042 1.00 15.00 N ATOM 346 CA GLY A 24 0.547 -4.859 9.904 1.00 15.00 C ATOM 347 C GLY A 24 1.078 -5.908 8.947 1.00 15.00 C ATOM 348 O GLY A 24 2.112 -6.522 9.206 1.00 15.00 O ATOM 0 H GLY A 24 1.963 -3.690 10.922 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.387 -5.312 10.882 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.423 -4.509 9.552 1.00 15.00 H new ATOM 352 N GLY A 25 0.376 -6.099 7.833 1.00 15.00 N ATOM 353 CA GLY A 25 0.802 -7.066 6.833 1.00 15.00 C ATOM 354 C GLY A 25 0.800 -8.501 7.326 1.00 15.00 C ATOM 355 O GLY A 25 0.042 -9.330 6.823 1.00 15.00 O ATOM 0 H GLY A 25 -0.483 -5.600 7.604 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.147 -6.989 5.965 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.807 -6.809 6.498 1.00 15.00 H new ATOM 359 N VAL A 26 1.667 -8.795 8.295 1.00 15.00 N ATOM 360 CA VAL A 26 1.795 -10.144 8.862 1.00 15.00 C ATOM 361 C VAL A 26 0.488 -10.931 8.788 1.00 15.00 C ATOM 362 O VAL A 26 -0.595 -10.379 8.978 1.00 15.00 O ATOM 363 CB VAL A 26 2.266 -10.099 10.331 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.763 -10.356 10.423 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.909 -8.766 10.968 1.00 15.00 C ATOM 0 H VAL A 26 2.299 -8.110 8.710 1.00 15.00 H new ATOM 0 HA VAL A 26 2.544 -10.652 8.254 1.00 15.00 H new ATOM 0 HB VAL A 26 1.751 -10.888 10.879 1.00 15.00 H new ATOM 0 HG11 VAL A 26 4.075 -10.320 11.467 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.989 -11.339 10.010 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.299 -9.593 9.858 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.250 -8.755 12.003 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.393 -7.959 10.418 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.828 -8.627 10.940 1.00 15.00 H new ATOM 375 N ASN A 27 0.603 -12.225 8.507 1.00 15.00 N ATOM 376 CA ASN A 27 -0.562 -13.095 8.401 1.00 15.00 C ATOM 377 C ASN A 27 -1.122 -13.430 9.781 1.00 15.00 C ATOM 378 O ASN A 27 -1.150 -14.593 10.186 1.00 15.00 O ATOM 379 CB ASN A 27 -0.190 -14.383 7.663 1.00 15.00 C ATOM 380 CG ASN A 27 0.968 -15.109 8.318 1.00 15.00 C ATOM 381 OD1 ASN A 27 0.780 -15.881 9.259 1.00 15.00 O ATOM 382 ND2 ASN A 27 2.176 -14.864 7.824 1.00 15.00 N ATOM 0 H ASN A 27 1.494 -12.695 8.348 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.331 -12.566 7.838 1.00 15.00 H new ATOM 0 HB2 ASN A 27 -1.057 -15.043 7.629 1.00 15.00 H new ATOM 0 HB3 ASN A 27 0.070 -14.146 6.631 1.00 15.00 H new ATOM 0 HD21 ASN A 27 2.994 -15.323 8.225 1.00 15.00 H new ATOM 0 HD22 ASN A 27 2.286 -14.217 7.043 1.00 15.00 H new ATOM 389 N THR A 28 -1.568 -12.405 10.499 1.00 15.00 N ATOM 390 CA THR A 28 -2.126 -12.593 11.833 1.00 15.00 C ATOM 391 C THR A 28 -3.149 -11.508 12.156 1.00 15.00 C ATOM 392 O THR A 28 -4.336 -11.789 12.319 1.00 15.00 O ATOM 393 CB THR A 28 -1.011 -12.586 12.879 1.00 15.00 C ATOM 394 OG1 THR A 28 0.066 -13.410 12.470 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.465 -13.065 14.241 1.00 15.00 C ATOM 0 H THR A 28 -1.554 -11.436 10.180 1.00 15.00 H new ATOM 0 HA THR A 28 -2.631 -13.559 11.855 1.00 15.00 H new ATOM 0 HB THR A 28 -0.701 -11.544 12.963 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.770 -13.391 13.152 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.626 -13.035 14.936 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.262 -12.418 14.607 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.835 -14.087 14.163 1.00 15.00 H new ATOM 403 N SER A 29 -2.678 -10.269 12.249 1.00 15.00 N ATOM 404 CA SER A 29 -3.550 -9.141 12.554 1.00 15.00 C ATOM 405 C SER A 29 -4.489 -8.843 11.390 1.00 15.00 C ATOM 406 O SER A 29 -5.696 -8.693 11.576 1.00 15.00 O ATOM 407 CB SER A 29 -2.717 -7.900 12.882 1.00 15.00 C ATOM 408 OG SER A 29 -3.253 -7.204 13.994 1.00 15.00 O ATOM 0 H SER A 29 -1.697 -10.021 12.118 1.00 15.00 H new ATOM 0 HA SER A 29 -4.153 -9.407 13.422 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.689 -8.194 13.094 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.687 -7.239 12.016 1.00 15.00 H new ATOM 0 HG SER A 29 -2.701 -6.416 14.184 1.00 15.00 H new ATOM 414 N VAL A 30 -3.926 -8.755 10.189 1.00 15.00 N ATOM 415 CA VAL A 30 -4.712 -8.472 8.995 1.00 15.00 C ATOM 416 C VAL A 30 -5.555 -9.678 8.589 1.00 15.00 C ATOM 417 O VAL A 30 -5.597 -10.684 9.296 1.00 15.00 O ATOM 418 CB VAL A 30 -3.810 -8.064 7.814 1.00 15.00 C ATOM 419 CG1 VAL A 30 -3.042 -6.794 8.143 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.856 -9.193 7.454 1.00 15.00 C ATOM 0 H VAL A 30 -2.928 -8.876 10.018 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.373 -7.641 9.241 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.444 -7.865 6.950 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.410 -6.521 7.297 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.745 -5.986 8.346 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.419 -6.963 9.021 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -2.228 -8.886 6.618 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -2.228 -9.427 8.314 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -3.428 -10.077 7.172 1.00 15.00 H new ATOM 430 N ARG A 31 -6.226 -9.567 7.446 1.00 15.00 N ATOM 431 CA ARG A 31 -7.071 -10.646 6.943 1.00 15.00 C ATOM 432 C ARG A 31 -6.307 -11.966 6.885 1.00 15.00 C ATOM 433 O ARG A 31 -6.519 -12.853 7.712 1.00 15.00 O ATOM 434 CB ARG A 31 -7.609 -10.292 5.554 1.00 15.00 C ATOM 435 CG ARG A 31 -9.075 -9.891 5.553 1.00 15.00 C ATOM 436 CD ARG A 31 -9.985 -11.104 5.446 1.00 15.00 C ATOM 437 NE ARG A 31 -10.534 -11.491 6.743 1.00 15.00 N ATOM 438 CZ ARG A 31 -11.511 -12.382 6.897 1.00 15.00 C ATOM 439 NH1 ARG A 31 -12.047 -12.977 5.839 1.00 15.00 N ATOM 440 NH2 ARG A 31 -11.953 -12.677 8.112 1.00 15.00 N ATOM 0 H ARG A 31 -6.201 -8.740 6.850 1.00 15.00 H new ATOM 0 HA ARG A 31 -7.907 -10.767 7.632 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.017 -9.475 5.142 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -7.475 -11.148 4.893 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -9.304 -9.343 6.467 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -9.268 -9.216 4.719 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.801 -10.886 4.757 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -9.427 -11.940 5.024 1.00 15.00 H new ATOM 0 HE ARG A 31 -10.146 -11.053 7.579 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.711 -12.752 4.903 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -12.795 -13.659 5.962 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -11.544 -12.221 8.928 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -12.702 -13.360 8.231 1.00 15.00 H new ATOM 454 N HIS A 32 -5.420 -12.092 5.902 1.00 15.00 N ATOM 455 CA HIS A 32 -4.630 -13.307 5.739 1.00 15.00 C ATOM 456 C HIS A 32 -3.154 -12.981 5.530 1.00 15.00 C ATOM 457 O HIS A 32 -2.282 -13.598 6.138 1.00 15.00 O ATOM 458 CB HIS A 32 -5.154 -14.128 4.558 1.00 15.00 C ATOM 459 CG HIS A 32 -5.511 -13.299 3.363 1.00 15.00 C ATOM 460 ND1 HIS A 32 -6.768 -12.766 3.165 1.00 15.00 N ATOM 461 CD2 HIS A 32 -4.768 -12.911 2.299 1.00 15.00 C ATOM 462 CE1 HIS A 32 -6.782 -12.087 2.031 1.00 15.00 C ATOM 463 NE2 HIS A 32 -5.582 -12.159 1.488 1.00 15.00 N ATOM 0 H HIS A 32 -5.231 -11.369 5.208 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.726 -13.893 6.653 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.398 -14.859 4.270 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -6.033 -14.688 4.877 1.00 15.00 H new ATOM 0 HD1 HIS A 32 -7.562 -12.878 3.795 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -3.730 -13.149 2.122 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -7.631 -11.562 1.619 1.00 15.00 H new ATOM 472 N GLY A 33 -2.882 -12.012 4.662 1.00 15.00 N ATOM 473 CA GLY A 33 -1.509 -11.625 4.385 1.00 15.00 C ATOM 474 C GLY A 33 -1.412 -10.334 3.595 1.00 15.00 C ATOM 475 O GLY A 33 -0.411 -10.082 2.925 1.00 15.00 O ATOM 0 H GLY A 33 -3.587 -11.487 4.145 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.971 -11.511 5.326 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -1.016 -12.423 3.830 1.00 15.00 H new ATOM 479 N GLY A 34 -2.445 -9.503 3.687 1.00 15.00 N ATOM 480 CA GLY A 34 -2.437 -8.234 2.987 1.00 15.00 C ATOM 481 C GLY A 34 -1.845 -7.145 3.854 1.00 15.00 C ATOM 482 O GLY A 34 -1.887 -7.244 5.081 1.00 15.00 O ATOM 0 H GLY A 34 -3.286 -9.686 4.234 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.861 -8.325 2.066 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.454 -7.965 2.701 1.00 15.00 H new ATOM 486 N ILE A 35 -1.282 -6.111 3.241 1.00 15.00 N ATOM 487 CA ILE A 35 -0.682 -5.038 4.022 1.00 15.00 C ATOM 488 C ILE A 35 -1.667 -3.917 4.293 1.00 15.00 C ATOM 489 O ILE A 35 -2.608 -3.690 3.533 1.00 15.00 O ATOM 490 CB ILE A 35 0.587 -4.458 3.352 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.736 -4.400 4.372 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.316 -3.082 2.745 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.117 -3.001 4.819 1.00 15.00 C ATOM 0 H ILE A 35 -1.228 -5.993 2.229 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.392 -5.490 4.970 1.00 15.00 H new ATOM 0 HB ILE A 35 0.879 -5.117 2.534 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.455 -4.983 5.249 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.613 -4.880 3.938 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.227 -2.703 2.282 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.467 -3.165 1.991 1.00 15.00 H new ATOM 0 HG23 ILE A 35 -0.006 -2.396 3.528 1.00 15.00 H new ATOM 0 HD11 ILE A 35 2.935 -3.059 5.537 1.00 15.00 H new ATOM 0 HD12 ILE A 35 2.433 -2.416 3.955 1.00 15.00 H new ATOM 0 HD13 ILE A 35 1.257 -2.521 5.286 1.00 15.00 H new ATOM 505 N TYR A 36 -1.417 -3.209 5.379 1.00 15.00 N ATOM 506 CA TYR A 36 -2.245 -2.086 5.771 1.00 15.00 C ATOM 507 C TYR A 36 -1.358 -0.969 6.280 1.00 15.00 C ATOM 508 O TYR A 36 -0.732 -1.096 7.332 1.00 15.00 O ATOM 509 CB TYR A 36 -3.246 -2.498 6.848 1.00 15.00 C ATOM 510 CG TYR A 36 -4.282 -3.481 6.360 1.00 15.00 C ATOM 511 CD1 TYR A 36 -3.934 -4.789 6.055 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.606 -3.099 6.201 1.00 15.00 C ATOM 513 CE1 TYR A 36 -4.877 -5.691 5.607 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.557 -3.994 5.753 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.187 -5.290 5.458 1.00 15.00 C ATOM 516 OH TYR A 36 -7.131 -6.187 5.012 1.00 15.00 O ATOM 0 H TYR A 36 -0.638 -3.396 6.011 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.809 -1.741 4.904 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -2.706 -2.937 7.686 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -3.750 -1.608 7.225 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -2.908 -5.106 6.170 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -5.898 -2.085 6.431 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.590 -6.706 5.374 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.584 -3.682 5.634 1.00 15.00 H new ATOM 0 HH TYR A 36 -7.788 -6.350 5.721 1.00 15.00 H new ATOM 526 N VAL A 37 -1.282 0.118 5.526 1.00 15.00 N ATOM 527 CA VAL A 37 -0.431 1.228 5.928 1.00 15.00 C ATOM 528 C VAL A 37 -0.802 1.722 7.315 1.00 15.00 C ATOM 529 O VAL A 37 -1.929 1.555 7.775 1.00 15.00 O ATOM 530 CB VAL A 37 -0.430 2.417 4.920 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.741 1.962 3.509 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.377 3.540 5.321 1.00 15.00 C ATOM 0 H VAL A 37 -1.788 0.255 4.651 1.00 15.00 H new ATOM 0 HA VAL A 37 0.583 0.830 5.940 1.00 15.00 H new ATOM 0 HB VAL A 37 0.584 2.816 4.946 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.730 2.822 2.839 1.00 15.00 H new ATOM 0 HG12 VAL A 37 0.009 1.240 3.186 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.726 1.496 3.486 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.330 4.337 4.579 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.395 3.155 5.376 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.084 3.933 6.295 1.00 15.00 H new ATOM 542 N LYS A 38 0.154 2.353 7.962 1.00 15.00 N ATOM 543 CA LYS A 38 -0.060 2.906 9.283 1.00 15.00 C ATOM 544 C LYS A 38 -0.543 4.334 9.128 1.00 15.00 C ATOM 545 O LYS A 38 -1.525 4.745 9.745 1.00 15.00 O ATOM 546 CB LYS A 38 1.228 2.854 10.108 1.00 15.00 C ATOM 547 CG LYS A 38 0.996 2.947 11.607 1.00 15.00 C ATOM 548 CD LYS A 38 1.626 4.200 12.191 1.00 15.00 C ATOM 549 CE LYS A 38 0.663 5.374 12.151 1.00 15.00 C ATOM 550 NZ LYS A 38 -0.007 5.588 13.464 1.00 15.00 N ATOM 0 H LYS A 38 1.094 2.497 7.592 1.00 15.00 H new ATOM 0 HA LYS A 38 -0.809 2.318 9.814 1.00 15.00 H new ATOM 0 HB2 LYS A 38 1.753 1.925 9.887 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.881 3.670 9.799 1.00 15.00 H new ATOM 0 HG2 LYS A 38 -0.075 2.948 11.811 1.00 15.00 H new ATOM 0 HG3 LYS A 38 1.413 2.067 12.096 1.00 15.00 H new ATOM 0 HD2 LYS A 38 1.929 4.011 13.221 1.00 15.00 H new ATOM 0 HD3 LYS A 38 2.529 4.449 11.634 1.00 15.00 H new ATOM 0 HE2 LYS A 38 1.203 6.277 11.868 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -0.091 5.199 11.383 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -0.656 6.398 13.395 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -0.544 4.736 13.723 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 0.710 5.780 14.192 1.00 15.00 H new ATOM 564 N ALA A 39 0.149 5.072 8.269 1.00 15.00 N ATOM 565 CA ALA A 39 -0.205 6.450 7.978 1.00 15.00 C ATOM 566 C ALA A 39 0.645 6.991 6.836 1.00 15.00 C ATOM 567 O ALA A 39 1.649 6.386 6.464 1.00 15.00 O ATOM 568 CB ALA A 39 -0.076 7.307 9.219 1.00 15.00 C ATOM 0 H ALA A 39 0.965 4.733 7.759 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.247 6.482 7.660 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -0.346 8.336 8.980 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -0.742 6.928 9.994 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.953 7.275 9.578 1.00 15.00 H new ATOM 574 N VAL A 40 0.247 8.133 6.290 1.00 15.00 N ATOM 575 CA VAL A 40 0.987 8.750 5.191 1.00 15.00 C ATOM 576 C VAL A 40 1.928 9.835 5.721 1.00 15.00 C ATOM 577 O VAL A 40 1.490 10.792 6.360 1.00 15.00 O ATOM 578 CB VAL A 40 0.042 9.356 4.128 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.166 8.387 2.974 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.291 9.739 4.744 1.00 15.00 C ATOM 0 H VAL A 40 -0.580 8.651 6.587 1.00 15.00 H new ATOM 0 HA VAL A 40 1.571 7.962 4.714 1.00 15.00 H new ATOM 0 HB VAL A 40 0.512 10.259 3.739 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.834 8.835 2.239 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.794 8.167 2.506 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.607 7.463 3.349 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -1.938 10.163 3.976 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -1.764 8.853 5.168 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.130 10.476 5.530 1.00 15.00 H new ATOM 590 N ILE A 41 3.226 9.657 5.478 1.00 15.00 N ATOM 591 CA ILE A 41 4.246 10.596 5.955 1.00 15.00 C ATOM 592 C ILE A 41 4.339 11.856 5.106 1.00 15.00 C ATOM 593 O ILE A 41 4.818 11.814 3.973 1.00 15.00 O ATOM 594 CB ILE A 41 5.640 9.925 6.023 1.00 15.00 C ATOM 595 CG1 ILE A 41 5.531 8.457 6.458 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.564 10.681 6.956 1.00 15.00 C ATOM 597 CD1 ILE A 41 4.466 8.199 7.503 1.00 15.00 C ATOM 0 H ILE A 41 3.599 8.868 4.951 1.00 15.00 H new ATOM 0 HA ILE A 41 3.929 10.889 6.956 1.00 15.00 H new ATOM 0 HB ILE A 41 6.064 9.953 5.019 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.321 7.844 5.581 1.00 15.00 H new ATOM 0 HG13 ILE A 41 6.495 8.133 6.850 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.536 10.188 6.984 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.686 11.703 6.598 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.136 10.697 7.958 1.00 15.00 H new ATOM 0 HD11 ILE A 41 4.454 7.139 7.756 1.00 15.00 H new ATOM 0 HD12 ILE A 41 4.685 8.783 8.397 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.492 8.490 7.109 1.00 15.00 H new ATOM 609 N PRO A 42 3.894 13.008 5.657 1.00 15.00 N ATOM 610 CA PRO A 42 3.936 14.294 4.954 1.00 15.00 C ATOM 611 C PRO A 42 5.361 14.774 4.713 1.00 15.00 C ATOM 612 O PRO A 42 5.784 15.806 5.234 1.00 15.00 O ATOM 613 CB PRO A 42 3.198 15.250 5.895 1.00 15.00 C ATOM 614 CG PRO A 42 3.324 14.630 7.242 1.00 15.00 C ATOM 615 CD PRO A 42 3.325 13.145 7.013 1.00 15.00 C ATOM 0 HA PRO A 42 3.486 14.228 3.963 1.00 15.00 H new ATOM 0 HB2 PRO A 42 3.641 16.246 5.875 1.00 15.00 H new ATOM 0 HB3 PRO A 42 2.153 15.361 5.607 1.00 15.00 H new ATOM 0 HG2 PRO A 42 4.242 14.950 7.735 1.00 15.00 H new ATOM 0 HG3 PRO A 42 2.496 14.925 7.887 1.00 15.00 H new ATOM 0 HD2 PRO A 42 3.928 12.624 7.756 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.319 12.729 7.071 1.00 15.00 H new ATOM 623 N GLN A 43 6.088 14.012 3.911 1.00 15.00 N ATOM 624 CA GLN A 43 7.466 14.332 3.572 1.00 15.00 C ATOM 625 C GLN A 43 7.853 13.609 2.292 1.00 15.00 C ATOM 626 O GLN A 43 8.437 14.197 1.381 1.00 15.00 O ATOM 627 CB GLN A 43 8.406 13.929 4.710 1.00 15.00 C ATOM 628 CG GLN A 43 8.614 15.024 5.744 1.00 15.00 C ATOM 629 CD GLN A 43 9.693 14.676 6.751 1.00 15.00 C ATOM 630 OE1 GLN A 43 10.673 15.405 6.904 1.00 15.00 O ATOM 631 NE2 GLN A 43 9.518 13.557 7.443 1.00 15.00 N ATOM 0 H GLN A 43 5.741 13.156 3.478 1.00 15.00 H new ATOM 0 HA GLN A 43 7.554 15.408 3.421 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.005 13.045 5.205 1.00 15.00 H new ATOM 0 HB3 GLN A 43 9.372 13.649 4.290 1.00 15.00 H new ATOM 0 HG2 GLN A 43 8.880 15.952 5.237 1.00 15.00 H new ATOM 0 HG3 GLN A 43 7.676 15.206 6.269 1.00 15.00 H new ATOM 0 HE21 GLN A 43 8.690 12.983 7.283 1.00 15.00 H new ATOM 0 HE22 GLN A 43 10.211 13.271 8.134 1.00 15.00 H new ATOM 640 N GLY A 44 7.507 12.328 2.229 1.00 15.00 N ATOM 641 CA GLY A 44 7.805 11.537 1.056 1.00 15.00 C ATOM 642 C GLY A 44 6.715 11.635 0.006 1.00 15.00 C ATOM 643 O GLY A 44 5.541 11.857 0.329 1.00 15.00 O ATOM 0 H GLY A 44 7.024 11.825 2.973 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.751 11.868 0.627 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.935 10.494 1.346 1.00 15.00 H new ATOM 647 N ALA A 45 7.118 11.467 -1.252 1.00 15.00 N ATOM 648 CA ALA A 45 6.210 11.539 -2.401 1.00 15.00 C ATOM 649 C ALA A 45 4.860 10.867 -2.150 1.00 15.00 C ATOM 650 O ALA A 45 3.897 11.124 -2.872 1.00 15.00 O ATOM 651 CB ALA A 45 6.873 10.927 -3.625 1.00 15.00 C ATOM 0 H ALA A 45 8.087 11.276 -1.507 1.00 15.00 H new ATOM 0 HA ALA A 45 6.006 12.596 -2.571 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.192 10.984 -4.474 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.787 11.474 -3.855 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.115 9.883 -3.424 1.00 15.00 H new ATOM 657 N ALA A 46 4.783 10.006 -1.142 1.00 15.00 N ATOM 658 CA ALA A 46 3.539 9.318 -0.842 1.00 15.00 C ATOM 659 C ALA A 46 2.511 10.271 -0.238 1.00 15.00 C ATOM 660 O ALA A 46 1.531 10.629 -0.895 1.00 15.00 O ATOM 661 CB ALA A 46 3.792 8.150 0.096 1.00 15.00 C ATOM 0 H ALA A 46 5.561 9.771 -0.525 1.00 15.00 H new ATOM 0 HA ALA A 46 3.133 8.936 -1.779 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.850 7.645 0.311 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.481 7.448 -0.374 1.00 15.00 H new ATOM 0 HB3 ALA A 46 4.227 8.517 1.025 1.00 15.00 H new ATOM 667 N GLU A 47 2.733 10.688 1.010 1.00 15.00 N ATOM 668 CA GLU A 47 1.808 11.610 1.670 1.00 15.00 C ATOM 669 C GLU A 47 1.676 12.896 0.863 1.00 15.00 C ATOM 670 O GLU A 47 0.590 13.468 0.760 1.00 15.00 O ATOM 671 CB GLU A 47 2.227 11.896 3.123 1.00 15.00 C ATOM 672 CG GLU A 47 1.163 12.624 3.942 1.00 15.00 C ATOM 673 CD GLU A 47 0.848 14.017 3.424 1.00 15.00 C ATOM 674 OE1 GLU A 47 1.752 14.663 2.855 1.00 15.00 O ATOM 675 OE2 GLU A 47 -0.308 14.460 3.588 1.00 15.00 O ATOM 0 H GLU A 47 3.533 10.407 1.577 1.00 15.00 H new ATOM 0 HA GLU A 47 0.829 11.132 1.714 1.00 15.00 H new ATOM 0 HB2 GLU A 47 2.467 10.953 3.614 1.00 15.00 H new ATOM 0 HB3 GLU A 47 3.139 12.493 3.117 1.00 15.00 H new ATOM 0 HG2 GLU A 47 0.249 12.031 3.945 1.00 15.00 H new ATOM 0 HG3 GLU A 47 1.499 12.697 4.976 1.00 15.00 H new ATOM 682 N SER A 48 2.790 13.343 0.287 1.00 15.00 N ATOM 683 CA SER A 48 2.800 14.559 -0.519 1.00 15.00 C ATOM 684 C SER A 48 1.744 14.481 -1.614 1.00 15.00 C ATOM 685 O SER A 48 0.763 15.224 -1.599 1.00 15.00 O ATOM 686 CB SER A 48 4.182 14.775 -1.139 1.00 15.00 C ATOM 687 OG SER A 48 5.198 14.718 -0.153 1.00 15.00 O ATOM 0 H SER A 48 3.696 12.881 0.364 1.00 15.00 H new ATOM 0 HA SER A 48 2.569 15.404 0.130 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.366 14.016 -1.899 1.00 15.00 H new ATOM 0 HB3 SER A 48 4.212 15.742 -1.641 1.00 15.00 H new ATOM 0 HG SER A 48 5.392 13.782 0.063 1.00 15.00 H new ATOM 693 N ASP A 49 1.944 13.564 -2.555 1.00 15.00 N ATOM 694 CA ASP A 49 0.997 13.378 -3.646 1.00 15.00 C ATOM 695 C ASP A 49 -0.348 12.923 -3.094 1.00 15.00 C ATOM 696 O ASP A 49 -1.404 13.330 -3.580 1.00 15.00 O ATOM 697 CB ASP A 49 1.528 12.351 -4.647 1.00 15.00 C ATOM 698 CG ASP A 49 1.182 12.709 -6.079 1.00 15.00 C ATOM 699 OD1 ASP A 49 0.032 13.130 -6.324 1.00 15.00 O ATOM 700 OD2 ASP A 49 2.060 12.567 -6.956 1.00 15.00 O ATOM 0 H ASP A 49 2.751 12.941 -2.583 1.00 15.00 H new ATOM 0 HA ASP A 49 0.868 14.329 -4.162 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.611 12.275 -4.546 1.00 15.00 H new ATOM 0 HB3 ASP A 49 1.116 11.370 -4.411 1.00 15.00 H new ATOM 705 N GLY A 50 -0.296 12.079 -2.068 1.00 15.00 N ATOM 706 CA GLY A 50 -1.509 11.581 -1.451 1.00 15.00 C ATOM 707 C GLY A 50 -2.115 10.423 -2.215 1.00 15.00 C ATOM 708 O GLY A 50 -3.329 10.372 -2.414 1.00 15.00 O ATOM 0 H GLY A 50 0.568 11.731 -1.653 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.290 11.264 -0.431 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.237 12.389 -1.385 1.00 15.00 H new ATOM 712 N ARG A 51 -1.273 9.489 -2.644 1.00 15.00 N ATOM 713 CA ARG A 51 -1.750 8.330 -3.389 1.00 15.00 C ATOM 714 C ARG A 51 -2.324 7.280 -2.444 1.00 15.00 C ATOM 715 O ARG A 51 -3.449 6.814 -2.629 1.00 15.00 O ATOM 716 CB ARG A 51 -0.623 7.721 -4.230 1.00 15.00 C ATOM 717 CG ARG A 51 -0.635 8.165 -5.684 1.00 15.00 C ATOM 718 CD ARG A 51 -1.992 7.938 -6.332 1.00 15.00 C ATOM 719 NE ARG A 51 -2.595 9.192 -6.781 1.00 15.00 N ATOM 720 CZ ARG A 51 -3.907 9.410 -6.838 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.765 8.460 -6.488 1.00 15.00 N ATOM 722 NH2 ARG A 51 -4.364 10.585 -7.250 1.00 15.00 N ATOM 0 H ARG A 51 -0.265 9.511 -2.490 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.541 8.666 -4.060 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.335 7.990 -3.786 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -0.699 6.634 -4.191 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -0.376 9.222 -5.744 1.00 15.00 H new ATOM 0 HG3 ARG A 51 0.128 7.618 -6.238 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.881 7.263 -7.181 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.657 7.449 -5.621 1.00 15.00 H new ATOM 0 HE ARG A 51 -1.972 9.947 -7.068 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -4.421 7.553 -6.172 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.769 8.637 -6.535 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -3.711 11.319 -7.522 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -5.369 10.754 -7.294 1.00 15.00 H new ATOM 736 N ILE A 52 -1.549 6.914 -1.429 1.00 15.00 N ATOM 737 CA ILE A 52 -1.987 5.923 -0.454 1.00 15.00 C ATOM 738 C ILE A 52 -2.685 6.586 0.729 1.00 15.00 C ATOM 739 O ILE A 52 -2.557 7.791 0.946 1.00 15.00 O ATOM 740 CB ILE A 52 -0.805 5.086 0.078 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.007 4.481 -1.083 1.00 15.00 C ATOM 742 CG2 ILE A 52 -1.310 3.993 1.013 1.00 15.00 C ATOM 743 CD1 ILE A 52 -0.245 2.998 -1.276 1.00 15.00 C ATOM 0 H ILE A 52 -0.615 7.288 -1.260 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.686 5.266 -0.972 1.00 15.00 H new ATOM 0 HB ILE A 52 -0.141 5.742 0.641 1.00 15.00 H new ATOM 0 HG12 ILE A 52 -0.267 5.005 -2.003 1.00 15.00 H new ATOM 0 HG13 ILE A 52 1.056 4.650 -0.909 1.00 15.00 H new ATOM 0 HG21 ILE A 52 -0.466 3.410 1.381 1.00 15.00 H new ATOM 0 HG22 ILE A 52 -1.832 4.447 1.855 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -1.994 3.339 0.472 1.00 15.00 H new ATOM 0 HD11 ILE A 52 0.352 2.640 -2.114 1.00 15.00 H new ATOM 0 HD12 ILE A 52 0.042 2.463 -0.371 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -1.301 2.823 -1.482 1.00 15.00 H new ATOM 755 N HIS A 53 -3.416 5.784 1.495 1.00 15.00 N ATOM 756 CA HIS A 53 -4.128 6.274 2.663 1.00 15.00 C ATOM 757 C HIS A 53 -4.017 5.287 3.803 1.00 15.00 C ATOM 758 O HIS A 53 -3.817 4.090 3.597 1.00 15.00 O ATOM 759 CB HIS A 53 -5.597 6.540 2.329 1.00 15.00 C ATOM 760 CG HIS A 53 -5.789 7.446 1.153 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.710 7.012 -0.153 1.00 15.00 N ATOM 762 CD2 HIS A 53 -6.059 8.772 1.091 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.922 8.031 -0.967 1.00 15.00 C ATOM 764 NE2 HIS A 53 -6.137 9.110 -0.237 1.00 15.00 N ATOM 0 H HIS A 53 -3.530 4.785 1.324 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.671 7.214 2.972 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -6.094 5.590 2.130 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.085 6.979 3.199 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -6.189 9.439 1.930 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -5.920 7.989 -2.046 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -6.330 10.043 -0.601 1.00 15.00 H new ATOM 773 N LYS A 54 -4.118 5.820 5.008 1.00 15.00 N ATOM 774 CA LYS A 54 -4.004 5.038 6.225 1.00 15.00 C ATOM 775 C LYS A 54 -4.601 3.634 6.074 1.00 15.00 C ATOM 776 O LYS A 54 -5.712 3.469 5.571 1.00 15.00 O ATOM 777 CB LYS A 54 -4.685 5.780 7.377 1.00 15.00 C ATOM 778 CG LYS A 54 -3.732 6.188 8.484 1.00 15.00 C ATOM 779 CD LYS A 54 -4.333 5.944 9.859 1.00 15.00 C ATOM 780 CE LYS A 54 -4.478 4.460 10.148 1.00 15.00 C ATOM 781 NZ LYS A 54 -4.581 4.186 11.608 1.00 15.00 N ATOM 0 H LYS A 54 -4.282 6.814 5.170 1.00 15.00 H new ATOM 0 HA LYS A 54 -2.943 4.912 6.439 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.176 6.671 6.985 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.465 5.145 7.796 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -2.802 5.628 8.389 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.481 7.243 8.378 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -3.702 6.404 10.620 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -5.309 6.425 9.921 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.365 4.077 9.643 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.622 3.925 9.738 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -4.679 3.162 11.763 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -3.724 4.528 12.087 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -5.413 4.676 11.995 1.00 15.00 H new ATOM 795 N GLY A 55 -3.849 2.631 6.523 1.00 15.00 N ATOM 796 CA GLY A 55 -4.303 1.250 6.446 1.00 15.00 C ATOM 797 C GLY A 55 -4.760 0.826 5.061 1.00 15.00 C ATOM 798 O GLY A 55 -5.693 0.033 4.937 1.00 15.00 O ATOM 0 H GLY A 55 -2.927 2.751 6.942 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.494 0.594 6.767 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.125 1.109 7.148 1.00 15.00 H new ATOM 802 N ASP A 56 -4.108 1.329 4.013 1.00 15.00 N ATOM 803 CA ASP A 56 -4.483 0.951 2.655 1.00 15.00 C ATOM 804 C ASP A 56 -4.194 -0.528 2.411 1.00 15.00 C ATOM 805 O ASP A 56 -3.094 -1.006 2.699 1.00 15.00 O ATOM 806 CB ASP A 56 -3.748 1.813 1.628 1.00 15.00 C ATOM 807 CG ASP A 56 -4.700 2.501 0.672 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.584 1.816 0.116 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.564 3.728 0.481 1.00 15.00 O ATOM 0 H ASP A 56 -3.332 1.987 4.077 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.554 1.120 2.540 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.151 2.563 2.147 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.055 1.190 1.062 1.00 15.00 H new ATOM 814 N ARG A 57 -5.182 -1.246 1.880 1.00 15.00 N ATOM 815 CA ARG A 57 -5.029 -2.670 1.593 1.00 15.00 C ATOM 816 C ARG A 57 -4.308 -2.875 0.264 1.00 15.00 C ATOM 817 O ARG A 57 -4.941 -2.924 -0.790 1.00 15.00 O ATOM 818 CB ARG A 57 -6.399 -3.353 1.541 1.00 15.00 C ATOM 819 CG ARG A 57 -7.116 -3.397 2.879 1.00 15.00 C ATOM 820 CD ARG A 57 -8.617 -3.220 2.711 1.00 15.00 C ATOM 821 NE ARG A 57 -9.323 -3.268 3.990 1.00 15.00 N ATOM 822 CZ ARG A 57 -9.708 -4.396 4.584 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.450 -5.572 4.025 1.00 15.00 N ATOM 824 NH2 ARG A 57 -10.350 -4.348 5.743 1.00 15.00 N ATOM 0 H ARG A 57 -6.097 -0.864 1.640 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.435 -3.115 2.392 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -7.028 -2.830 0.820 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.273 -4.372 1.174 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -6.913 -4.348 3.371 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -6.726 -2.613 3.528 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.817 -2.266 2.223 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -9.002 -4.001 2.055 1.00 15.00 H new ATOM 0 HE ARG A 57 -9.533 -2.385 4.455 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -8.954 -5.616 3.135 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -9.748 -6.432 4.486 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -10.549 -3.448 6.179 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -10.645 -5.212 6.199 1.00 15.00 H new ATOM 838 N VAL A 58 -2.985 -2.989 0.315 1.00 15.00 N ATOM 839 CA VAL A 58 -2.196 -3.180 -0.897 1.00 15.00 C ATOM 840 C VAL A 58 -2.107 -4.658 -1.277 1.00 15.00 C ATOM 841 O VAL A 58 -1.561 -5.478 -0.532 1.00 15.00 O ATOM 842 CB VAL A 58 -0.779 -2.568 -0.763 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.820 -1.297 0.074 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.213 -3.563 -0.175 1.00 15.00 C ATOM 0 H VAL A 58 -2.439 -2.953 1.176 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.713 -2.652 -1.698 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.436 -2.316 -1.766 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.185 -0.883 0.156 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.475 -0.568 -0.403 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.199 -1.529 1.069 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.195 -3.095 -0.097 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.123 -3.869 0.816 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.278 -4.438 -0.822 1.00 15.00 H new ATOM 854 N LEU A 59 -2.668 -4.988 -2.439 1.00 15.00 N ATOM 855 CA LEU A 59 -2.670 -6.362 -2.931 1.00 15.00 C ATOM 856 C LEU A 59 -1.703 -6.560 -4.102 1.00 15.00 C ATOM 857 O LEU A 59 -1.457 -7.691 -4.520 1.00 15.00 O ATOM 858 CB LEU A 59 -4.083 -6.769 -3.354 1.00 15.00 C ATOM 859 CG LEU A 59 -5.014 -7.166 -2.207 1.00 15.00 C ATOM 860 CD1 LEU A 59 -4.542 -8.460 -1.562 1.00 15.00 C ATOM 861 CD2 LEU A 59 -5.092 -6.051 -1.176 1.00 15.00 C ATOM 0 H LEU A 59 -3.128 -4.320 -3.058 1.00 15.00 H new ATOM 0 HA LEU A 59 -2.332 -6.997 -2.112 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.536 -5.940 -3.899 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -4.011 -7.606 -4.049 1.00 15.00 H new ATOM 0 HG LEU A 59 -6.013 -7.329 -2.612 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -5.216 -8.728 -0.748 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -4.537 -9.257 -2.306 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -3.534 -8.324 -1.169 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.758 -6.350 -0.367 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.098 -5.857 -0.774 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -5.476 -5.146 -1.647 1.00 15.00 H new ATOM 873 N ALA A 60 -1.174 -5.466 -4.649 1.00 15.00 N ATOM 874 CA ALA A 60 -0.259 -5.559 -5.786 1.00 15.00 C ATOM 875 C ALA A 60 0.727 -4.392 -5.834 1.00 15.00 C ATOM 876 O ALA A 60 0.388 -3.259 -5.495 1.00 15.00 O ATOM 877 CB ALA A 60 -1.053 -5.627 -7.083 1.00 15.00 C ATOM 0 H ALA A 60 -1.360 -4.516 -4.328 1.00 15.00 H new ATOM 0 HA ALA A 60 0.326 -6.470 -5.663 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.366 -5.696 -7.927 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.699 -6.505 -7.068 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.663 -4.729 -7.184 1.00 15.00 H new ATOM 883 N VAL A 61 1.945 -4.687 -6.283 1.00 15.00 N ATOM 884 CA VAL A 61 2.998 -3.684 -6.413 1.00 15.00 C ATOM 885 C VAL A 61 3.755 -3.917 -7.710 1.00 15.00 C ATOM 886 O VAL A 61 4.581 -4.826 -7.802 1.00 15.00 O ATOM 887 CB VAL A 61 3.995 -3.725 -5.237 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.048 -2.639 -5.392 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.269 -3.584 -3.909 1.00 15.00 C ATOM 0 H VAL A 61 2.229 -5.625 -6.566 1.00 15.00 H new ATOM 0 HA VAL A 61 2.520 -2.705 -6.411 1.00 15.00 H new ATOM 0 HB VAL A 61 4.496 -4.693 -5.248 1.00 15.00 H new ATOM 0 HG11 VAL A 61 5.743 -2.683 -4.553 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.594 -2.791 -6.323 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.564 -1.663 -5.411 1.00 15.00 H new ATOM 0 HG21 VAL A 61 3.992 -3.616 -3.094 1.00 15.00 H new ATOM 0 HG22 VAL A 61 2.736 -2.633 -3.885 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.557 -4.402 -3.795 1.00 15.00 H new ATOM 899 N ASN A 62 3.445 -3.117 -8.723 1.00 15.00 N ATOM 900 CA ASN A 62 4.076 -3.268 -10.025 1.00 15.00 C ATOM 901 C ASN A 62 3.686 -4.612 -10.640 1.00 15.00 C ATOM 902 O ASN A 62 4.312 -5.080 -11.591 1.00 15.00 O ATOM 903 CB ASN A 62 5.598 -3.155 -9.906 1.00 15.00 C ATOM 904 CG ASN A 62 6.082 -1.725 -10.051 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.100 -1.463 -10.691 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.350 -0.789 -9.454 1.00 15.00 N ATOM 0 H ASN A 62 2.763 -2.360 -8.667 1.00 15.00 H new ATOM 0 HA ASN A 62 3.727 -2.467 -10.676 1.00 15.00 H new ATOM 0 HB2 ASN A 62 5.915 -3.547 -8.940 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.067 -3.774 -10.671 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.626 0.191 -9.517 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.513 -1.051 -8.933 1.00 15.00 H new ATOM 913 N GLY A 63 2.634 -5.224 -10.088 1.00 15.00 N ATOM 914 CA GLY A 63 2.157 -6.501 -10.585 1.00 15.00 C ATOM 915 C GLY A 63 2.476 -7.664 -9.662 1.00 15.00 C ATOM 916 O GLY A 63 2.198 -8.815 -9.996 1.00 15.00 O ATOM 0 H GLY A 63 2.104 -4.851 -9.300 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.078 -6.446 -10.729 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.600 -6.691 -11.563 1.00 15.00 H new ATOM 920 N VAL A 64 3.048 -7.373 -8.496 1.00 15.00 N ATOM 921 CA VAL A 64 3.383 -8.421 -7.538 1.00 15.00 C ATOM 922 C VAL A 64 2.256 -8.611 -6.523 1.00 15.00 C ATOM 923 O VAL A 64 2.042 -7.771 -5.649 1.00 15.00 O ATOM 924 CB VAL A 64 4.712 -8.123 -6.806 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.534 -7.053 -5.741 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.283 -9.396 -6.201 1.00 15.00 C ATOM 0 H VAL A 64 3.287 -6.428 -8.194 1.00 15.00 H new ATOM 0 HA VAL A 64 3.509 -9.345 -8.103 1.00 15.00 H new ATOM 0 HB VAL A 64 5.419 -7.740 -7.541 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.488 -6.869 -5.247 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.183 -6.132 -6.206 1.00 15.00 H new ATOM 0 HG13 VAL A 64 3.804 -7.390 -5.005 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.218 -9.168 -5.690 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.571 -9.811 -5.487 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.470 -10.123 -6.992 1.00 15.00 H new ATOM 936 N SER A 65 1.531 -9.716 -6.649 1.00 15.00 N ATOM 937 CA SER A 65 0.423 -10.008 -5.746 1.00 15.00 C ATOM 938 C SER A 65 0.888 -10.026 -4.294 1.00 15.00 C ATOM 939 O SER A 65 1.881 -10.671 -3.956 1.00 15.00 O ATOM 940 CB SER A 65 -0.217 -11.350 -6.106 1.00 15.00 C ATOM 941 OG SER A 65 -1.230 -11.187 -7.083 1.00 15.00 O ATOM 0 H SER A 65 1.689 -10.424 -7.366 1.00 15.00 H new ATOM 0 HA SER A 65 -0.319 -9.217 -5.858 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.547 -12.032 -6.480 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.641 -11.806 -5.211 1.00 15.00 H new ATOM 0 HG SER A 65 -1.622 -12.059 -7.297 1.00 15.00 H new ATOM 947 N LEU A 66 0.162 -9.312 -3.440 1.00 15.00 N ATOM 948 CA LEU A 66 0.493 -9.241 -2.022 1.00 15.00 C ATOM 949 C LEU A 66 -0.222 -10.339 -1.239 1.00 15.00 C ATOM 950 O LEU A 66 0.207 -10.714 -0.147 1.00 15.00 O ATOM 951 CB LEU A 66 0.119 -7.868 -1.459 1.00 15.00 C ATOM 952 CG LEU A 66 1.171 -7.234 -0.546 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.481 -8.150 0.627 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.436 -6.922 -1.331 1.00 15.00 C ATOM 0 H LEU A 66 -0.662 -8.773 -3.707 1.00 15.00 H new ATOM 0 HA LEU A 66 1.568 -9.389 -1.917 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.073 -7.191 -2.291 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.814 -7.962 -0.903 1.00 15.00 H new ATOM 0 HG LEU A 66 0.770 -6.300 -0.153 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.231 -7.683 1.265 1.00 15.00 H new ATOM 0 HD12 LEU A 66 0.572 -8.324 1.203 1.00 15.00 H new ATOM 0 HD13 LEU A 66 1.863 -9.101 0.255 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.174 -6.472 -0.667 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.840 -7.843 -1.751 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.202 -6.227 -2.138 1.00 15.00 H new ATOM 966 N GLU A 67 -1.314 -10.853 -1.803 1.00 15.00 N ATOM 967 CA GLU A 67 -2.089 -11.909 -1.157 1.00 15.00 C ATOM 968 C GLU A 67 -1.177 -13.015 -0.631 1.00 15.00 C ATOM 969 O GLU A 67 -0.778 -13.912 -1.374 1.00 15.00 O ATOM 970 CB GLU A 67 -3.106 -12.494 -2.140 1.00 15.00 C ATOM 971 CG GLU A 67 -4.487 -12.697 -1.538 1.00 15.00 C ATOM 972 CD GLU A 67 -5.376 -13.570 -2.401 1.00 15.00 C ATOM 973 OE1 GLU A 67 -5.148 -13.620 -3.628 1.00 15.00 O ATOM 974 OE2 GLU A 67 -6.301 -14.204 -1.851 1.00 15.00 O ATOM 0 H GLU A 67 -1.681 -10.554 -2.706 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.619 -11.471 -0.311 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -3.188 -11.832 -3.002 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.735 -13.451 -2.508 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.386 -13.150 -0.552 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.964 -11.727 -1.396 1.00 15.00 H new ATOM 981 N GLY A 68 -0.848 -12.940 0.654 1.00 15.00 N ATOM 982 CA GLY A 68 0.017 -13.936 1.259 1.00 15.00 C ATOM 983 C GLY A 68 1.393 -13.388 1.581 1.00 15.00 C ATOM 984 O GLY A 68 2.388 -13.801 0.986 1.00 15.00 O ATOM 0 H GLY A 68 -1.165 -12.207 1.288 1.00 15.00 H new ATOM 0 HA2 GLY A 68 -0.446 -14.308 2.173 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.116 -14.786 0.583 1.00 15.00 H new ATOM 988 N ALA A 69 1.449 -12.453 2.524 1.00 15.00 N ATOM 989 CA ALA A 69 2.711 -11.844 2.925 1.00 15.00 C ATOM 990 C ALA A 69 2.520 -10.932 4.134 1.00 15.00 C ATOM 991 O ALA A 69 1.400 -10.538 4.456 1.00 15.00 O ATOM 992 CB ALA A 69 3.311 -11.068 1.761 1.00 15.00 C ATOM 0 H ALA A 69 0.633 -12.101 3.025 1.00 15.00 H new ATOM 0 HA ALA A 69 3.399 -12.639 3.211 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.254 -10.617 2.072 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.491 -11.745 0.926 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.619 -10.285 1.451 1.00 15.00 H new ATOM 998 N THR A 70 3.619 -10.605 4.804 1.00 15.00 N ATOM 999 CA THR A 70 3.570 -9.743 5.980 1.00 15.00 C ATOM 1000 C THR A 70 3.795 -8.281 5.600 1.00 15.00 C ATOM 1001 O THR A 70 3.880 -7.938 4.421 1.00 15.00 O ATOM 1002 CB THR A 70 4.622 -10.181 7.001 1.00 15.00 C ATOM 1003 OG1 THR A 70 5.916 -9.776 6.592 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.659 -11.678 7.223 1.00 15.00 C ATOM 0 H THR A 70 4.555 -10.923 4.553 1.00 15.00 H new ATOM 0 HA THR A 70 2.578 -9.835 6.423 1.00 15.00 H new ATOM 0 HB THR A 70 4.333 -9.700 7.935 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.575 -10.064 7.258 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.427 -11.918 7.958 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.689 -12.016 7.588 1.00 15.00 H new ATOM 0 HG23 THR A 70 4.888 -12.180 6.283 1.00 15.00 H new ATOM 1012 N HIS A 71 3.891 -7.427 6.614 1.00 15.00 N ATOM 1013 CA HIS A 71 4.107 -6.000 6.410 1.00 15.00 C ATOM 1014 C HIS A 71 5.460 -5.759 5.752 1.00 15.00 C ATOM 1015 O HIS A 71 5.539 -5.209 4.654 1.00 15.00 O ATOM 1016 CB HIS A 71 3.986 -5.276 7.761 1.00 15.00 C ATOM 1017 CG HIS A 71 4.817 -4.040 7.930 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.185 -3.563 9.170 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.317 -3.163 7.030 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.868 -2.445 9.026 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.968 -2.181 7.736 1.00 15.00 N ATOM 0 H HIS A 71 3.822 -7.703 7.594 1.00 15.00 H new ATOM 0 HA HIS A 71 3.349 -5.599 5.737 1.00 15.00 H new ATOM 0 HB2 HIS A 71 2.940 -5.008 7.913 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.253 -5.978 8.550 1.00 15.00 H new ATOM 0 HD1 HIS A 71 4.963 -4.007 10.061 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.222 -3.224 5.956 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.276 -1.847 9.827 1.00 15.00 H new ATOM 1030 N LYS A 72 6.520 -6.192 6.420 1.00 15.00 N ATOM 1031 CA LYS A 72 7.870 -6.045 5.888 1.00 15.00 C ATOM 1032 C LYS A 72 7.946 -6.617 4.480 1.00 15.00 C ATOM 1033 O LYS A 72 8.674 -6.109 3.631 1.00 15.00 O ATOM 1034 CB LYS A 72 8.873 -6.751 6.797 1.00 15.00 C ATOM 1035 CG LYS A 72 10.320 -6.411 6.484 1.00 15.00 C ATOM 1036 CD LYS A 72 11.268 -7.491 6.980 1.00 15.00 C ATOM 1037 CE LYS A 72 11.302 -7.550 8.498 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.403 -8.422 8.995 1.00 15.00 N ATOM 0 H LYS A 72 6.473 -6.648 7.331 1.00 15.00 H new ATOM 0 HA LYS A 72 8.117 -4.984 5.849 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.662 -6.485 7.833 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.734 -7.829 6.710 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.441 -6.286 5.408 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.579 -5.458 6.946 1.00 15.00 H new ATOM 0 HD2 LYS A 72 10.958 -8.458 6.584 1.00 15.00 H new ATOM 0 HD3 LYS A 72 12.271 -7.298 6.600 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.427 -6.544 8.898 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.347 -7.924 8.868 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.392 -8.436 10.035 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.270 -9.388 8.634 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.316 -8.051 8.663 1.00 15.00 H new ATOM 1052 N GLN A 73 7.175 -7.669 4.234 1.00 15.00 N ATOM 1053 CA GLN A 73 7.149 -8.294 2.920 1.00 15.00 C ATOM 1054 C GLN A 73 6.710 -7.274 1.879 1.00 15.00 C ATOM 1055 O GLN A 73 7.383 -7.074 0.868 1.00 15.00 O ATOM 1056 CB GLN A 73 6.204 -9.495 2.914 1.00 15.00 C ATOM 1057 CG GLN A 73 6.668 -10.627 2.012 1.00 15.00 C ATOM 1058 CD GLN A 73 6.789 -11.948 2.747 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.788 -12.594 3.054 1.00 15.00 O ATOM 1060 NE2 GLN A 73 8.021 -12.355 3.032 1.00 15.00 N ATOM 0 H GLN A 73 6.563 -8.105 4.924 1.00 15.00 H new ATOM 0 HA GLN A 73 8.151 -8.648 2.678 1.00 15.00 H new ATOM 0 HB2 GLN A 73 6.101 -9.871 3.932 1.00 15.00 H new ATOM 0 HB3 GLN A 73 5.215 -9.168 2.593 1.00 15.00 H new ATOM 0 HG2 GLN A 73 5.966 -10.739 1.185 1.00 15.00 H new ATOM 0 HG3 GLN A 73 7.633 -10.368 1.578 1.00 15.00 H new ATOM 0 HE21 GLN A 73 8.822 -11.786 2.758 1.00 15.00 H new ATOM 0 HE22 GLN A 73 8.166 -13.236 3.525 1.00 15.00 H new ATOM 1069 N ALA A 74 5.590 -6.609 2.149 1.00 15.00 N ATOM 1070 CA ALA A 74 5.086 -5.585 1.249 1.00 15.00 C ATOM 1071 C ALA A 74 6.038 -4.403 1.234 1.00 15.00 C ATOM 1072 O ALA A 74 6.372 -3.876 0.174 1.00 15.00 O ATOM 1073 CB ALA A 74 3.698 -5.139 1.659 1.00 15.00 C ATOM 0 H ALA A 74 5.019 -6.762 2.980 1.00 15.00 H new ATOM 0 HA ALA A 74 5.020 -6.005 0.246 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.344 -4.373 0.970 1.00 15.00 H new ATOM 0 HB2 ALA A 74 3.019 -5.992 1.634 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.730 -4.731 2.669 1.00 15.00 H new ATOM 1079 N VAL A 75 6.497 -4.009 2.424 1.00 15.00 N ATOM 1080 CA VAL A 75 7.446 -2.908 2.557 1.00 15.00 C ATOM 1081 C VAL A 75 8.507 -3.040 1.478 1.00 15.00 C ATOM 1082 O VAL A 75 8.891 -2.066 0.833 1.00 15.00 O ATOM 1083 CB VAL A 75 8.096 -2.916 3.964 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.575 -3.284 3.916 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.909 -1.583 4.659 1.00 15.00 C ATOM 0 H VAL A 75 6.225 -4.438 3.308 1.00 15.00 H new ATOM 0 HA VAL A 75 6.922 -1.960 2.438 1.00 15.00 H new ATOM 0 HB VAL A 75 7.584 -3.687 4.540 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.985 -3.276 4.926 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.689 -4.279 3.486 1.00 15.00 H new ATOM 0 HG13 VAL A 75 10.110 -2.560 3.301 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.375 -1.618 5.644 1.00 15.00 H new ATOM 0 HG22 VAL A 75 8.373 -0.795 4.066 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.844 -1.376 4.768 1.00 15.00 H new ATOM 1095 N GLU A 76 8.942 -4.274 1.275 1.00 15.00 N ATOM 1096 CA GLU A 76 9.927 -4.578 0.256 1.00 15.00 C ATOM 1097 C GLU A 76 9.333 -4.351 -1.131 1.00 15.00 C ATOM 1098 O GLU A 76 9.968 -3.750 -1.992 1.00 15.00 O ATOM 1099 CB GLU A 76 10.410 -6.023 0.396 1.00 15.00 C ATOM 1100 CG GLU A 76 10.962 -6.351 1.774 1.00 15.00 C ATOM 1101 CD GLU A 76 10.797 -7.814 2.135 1.00 15.00 C ATOM 1102 OE1 GLU A 76 10.936 -8.667 1.233 1.00 15.00 O ATOM 1103 OE2 GLU A 76 10.529 -8.108 3.319 1.00 15.00 O ATOM 0 H GLU A 76 8.624 -5.084 1.808 1.00 15.00 H new ATOM 0 HA GLU A 76 10.781 -3.913 0.386 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.582 -6.697 0.176 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.182 -6.213 -0.350 1.00 15.00 H new ATOM 0 HG2 GLU A 76 12.019 -6.089 1.810 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.456 -5.737 2.519 1.00 15.00 H new ATOM 1110 N THR A 77 8.104 -4.832 -1.342 1.00 15.00 N ATOM 1111 CA THR A 77 7.435 -4.670 -2.631 1.00 15.00 C ATOM 1112 C THR A 77 7.172 -3.199 -2.942 1.00 15.00 C ATOM 1113 O THR A 77 7.569 -2.700 -3.995 1.00 15.00 O ATOM 1114 CB THR A 77 6.123 -5.451 -2.671 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.230 -4.991 -1.674 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.306 -6.941 -2.477 1.00 15.00 C ATOM 0 H THR A 77 7.558 -5.333 -0.641 1.00 15.00 H new ATOM 0 HA THR A 77 8.105 -5.069 -3.393 1.00 15.00 H new ATOM 0 HB THR A 77 5.718 -5.279 -3.668 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.740 -4.611 -0.928 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.335 -7.435 -2.516 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.946 -7.335 -3.267 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.769 -7.128 -1.508 1.00 15.00 H new ATOM 1124 N LEU A 78 6.498 -2.505 -2.023 1.00 15.00 N ATOM 1125 CA LEU A 78 6.187 -1.089 -2.219 1.00 15.00 C ATOM 1126 C LEU A 78 7.456 -0.313 -2.534 1.00 15.00 C ATOM 1127 O LEU A 78 7.506 0.466 -3.485 1.00 15.00 O ATOM 1128 CB LEU A 78 5.521 -0.495 -0.972 1.00 15.00 C ATOM 1129 CG LEU A 78 4.547 -1.417 -0.234 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.740 -0.631 0.787 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.622 -2.120 -1.216 1.00 15.00 C ATOM 0 H LEU A 78 6.160 -2.896 -1.144 1.00 15.00 H new ATOM 0 HA LEU A 78 5.494 -1.010 -3.056 1.00 15.00 H new ATOM 0 HB2 LEU A 78 6.303 -0.191 -0.276 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.986 0.408 -1.264 1.00 15.00 H new ATOM 0 HG LEU A 78 5.127 -2.175 0.292 1.00 15.00 H new ATOM 0 HD11 LEU A 78 3.053 -1.302 1.302 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.415 -0.176 1.512 1.00 15.00 H new ATOM 0 HD13 LEU A 78 3.173 0.150 0.280 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.938 -2.770 -0.670 1.00 15.00 H new ATOM 0 HD22 LEU A 78 3.050 -1.377 -1.773 1.00 15.00 H new ATOM 0 HD23 LEU A 78 4.214 -2.717 -1.910 1.00 15.00 H new ATOM 1143 N ARG A 79 8.483 -0.546 -1.730 1.00 15.00 N ATOM 1144 CA ARG A 79 9.765 0.112 -1.912 1.00 15.00 C ATOM 1145 C ARG A 79 10.445 -0.381 -3.189 1.00 15.00 C ATOM 1146 O ARG A 79 10.747 0.405 -4.087 1.00 15.00 O ATOM 1147 CB ARG A 79 10.656 -0.152 -0.698 1.00 15.00 C ATOM 1148 CG ARG A 79 11.584 1.003 -0.360 1.00 15.00 C ATOM 1149 CD ARG A 79 11.005 1.883 0.737 1.00 15.00 C ATOM 1150 NE ARG A 79 11.906 1.997 1.882 1.00 15.00 N ATOM 1151 CZ ARG A 79 11.982 1.095 2.858 1.00 15.00 C ATOM 1152 NH1 ARG A 79 11.221 0.008 2.829 1.00 15.00 N ATOM 1153 NH2 ARG A 79 12.823 1.281 3.866 1.00 15.00 N ATOM 0 H ARG A 79 8.451 -1.191 -0.940 1.00 15.00 H new ATOM 0 HA ARG A 79 9.601 1.185 -2.007 1.00 15.00 H new ATOM 0 HB2 ARG A 79 10.025 -0.365 0.165 1.00 15.00 H new ATOM 0 HB3 ARG A 79 11.254 -1.044 -0.884 1.00 15.00 H new ATOM 0 HG2 ARG A 79 12.551 0.613 -0.042 1.00 15.00 H new ATOM 0 HG3 ARG A 79 11.760 1.602 -1.253 1.00 15.00 H new ATOM 0 HD2 ARG A 79 10.802 2.876 0.336 1.00 15.00 H new ATOM 0 HD3 ARG A 79 10.051 1.471 1.066 1.00 15.00 H new ATOM 0 HE ARG A 79 12.512 2.816 1.936 1.00 15.00 H new ATOM 0 HH11 ARG A 79 10.573 -0.140 2.056 1.00 15.00 H new ATOM 0 HH12 ARG A 79 11.284 -0.679 3.580 1.00 15.00 H new ATOM 0 HH21 ARG A 79 13.411 2.114 3.893 1.00 15.00 H new ATOM 0 HH22 ARG A 79 12.882 0.591 4.615 1.00 15.00 H new ATOM 1167 N ASN A 80 10.685 -1.688 -3.253 1.00 15.00 N ATOM 1168 CA ASN A 80 11.333 -2.308 -4.409 1.00 15.00 C ATOM 1169 C ASN A 80 10.474 -2.227 -5.673 1.00 15.00 C ATOM 1170 O ASN A 80 10.138 -3.253 -6.266 1.00 15.00 O ATOM 1171 CB ASN A 80 11.658 -3.773 -4.108 1.00 15.00 C ATOM 1172 CG ASN A 80 12.544 -3.930 -2.887 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.408 -3.094 -2.621 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.335 -5.006 -2.138 1.00 15.00 N ATOM 0 H ASN A 80 10.439 -2.344 -2.512 1.00 15.00 H new ATOM 0 HA ASN A 80 12.251 -1.751 -4.595 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.730 -4.324 -3.953 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.152 -4.217 -4.972 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.902 -5.165 -1.305 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.608 -5.673 -2.396 1.00 15.00 H new ATOM 1181 N THR A 81 10.137 -1.015 -6.101 1.00 15.00 N ATOM 1182 CA THR A 81 9.341 -0.838 -7.311 1.00 15.00 C ATOM 1183 C THR A 81 10.259 -0.575 -8.503 1.00 15.00 C ATOM 1184 O THR A 81 10.442 -1.440 -9.359 1.00 15.00 O ATOM 1185 CB THR A 81 8.334 0.303 -7.143 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.543 0.988 -5.920 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.893 -0.164 -7.165 1.00 15.00 C ATOM 0 H THR A 81 10.400 -0.147 -5.633 1.00 15.00 H new ATOM 0 HA THR A 81 8.779 -1.754 -7.493 1.00 15.00 H new ATOM 0 HB THR A 81 8.503 0.961 -7.995 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.024 0.556 -5.210 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.231 0.693 -7.041 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.683 -0.650 -8.117 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.727 -0.871 -6.352 1.00 15.00 H new ATOM 1195 N GLY A 82 10.851 0.617 -8.542 1.00 15.00 N ATOM 1196 CA GLY A 82 11.758 0.958 -9.619 1.00 15.00 C ATOM 1197 C GLY A 82 11.341 2.194 -10.390 1.00 15.00 C ATOM 1198 O GLY A 82 11.504 3.319 -9.919 1.00 15.00 O ATOM 0 H GLY A 82 10.717 1.350 -7.846 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.755 1.115 -9.208 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.826 0.115 -10.307 1.00 15.00 H new ATOM 1202 N GLN A 83 10.822 1.975 -11.589 1.00 15.00 N ATOM 1203 CA GLN A 83 10.396 3.068 -12.463 1.00 15.00 C ATOM 1204 C GLN A 83 9.228 3.857 -11.869 1.00 15.00 C ATOM 1205 O GLN A 83 9.425 4.912 -11.268 1.00 15.00 O ATOM 1206 CB GLN A 83 10.019 2.538 -13.854 1.00 15.00 C ATOM 1207 CG GLN A 83 9.405 1.145 -13.849 1.00 15.00 C ATOM 1208 CD GLN A 83 8.249 1.013 -14.822 1.00 15.00 C ATOM 1209 OE1 GLN A 83 7.085 0.998 -14.422 1.00 15.00 O ATOM 1210 NE2 GLN A 83 8.566 0.918 -16.108 1.00 15.00 N ATOM 0 H GLN A 83 10.683 1.045 -11.985 1.00 15.00 H new ATOM 0 HA GLN A 83 11.243 3.748 -12.557 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.315 3.231 -14.315 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.911 2.527 -14.480 1.00 15.00 H new ATOM 0 HG2 GLN A 83 10.172 0.413 -14.101 1.00 15.00 H new ATOM 0 HG3 GLN A 83 9.057 0.909 -12.843 1.00 15.00 H new ATOM 0 HE21 GLN A 83 9.545 0.935 -16.395 1.00 15.00 H new ATOM 0 HE22 GLN A 83 7.831 0.828 -16.809 1.00 15.00 H new ATOM 1219 N VAL A 84 8.013 3.351 -12.058 1.00 15.00 N ATOM 1220 CA VAL A 84 6.817 4.016 -11.557 1.00 15.00 C ATOM 1221 C VAL A 84 6.198 3.238 -10.399 1.00 15.00 C ATOM 1222 O VAL A 84 6.434 2.040 -10.240 1.00 15.00 O ATOM 1223 CB VAL A 84 5.774 4.195 -12.683 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.450 4.713 -12.138 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.312 5.134 -13.750 1.00 15.00 C ATOM 0 H VAL A 84 7.832 2.480 -12.556 1.00 15.00 H new ATOM 0 HA VAL A 84 7.117 4.999 -11.194 1.00 15.00 H new ATOM 0 HB VAL A 84 5.589 3.218 -13.129 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.739 4.827 -12.957 1.00 15.00 H new ATOM 0 HG12 VAL A 84 4.054 4.005 -11.410 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.607 5.678 -11.657 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.569 5.253 -14.538 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.527 6.105 -13.305 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.226 4.718 -14.173 1.00 15.00 H new ATOM 1235 N VAL A 85 5.400 3.927 -9.597 1.00 15.00 N ATOM 1236 CA VAL A 85 4.745 3.309 -8.458 1.00 15.00 C ATOM 1237 C VAL A 85 3.310 2.920 -8.812 1.00 15.00 C ATOM 1238 O VAL A 85 2.360 3.634 -8.493 1.00 15.00 O ATOM 1239 CB VAL A 85 4.763 4.263 -7.241 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.703 3.892 -6.214 1.00 15.00 C ATOM 1241 CG2 VAL A 85 6.145 4.281 -6.605 1.00 15.00 C ATOM 0 H VAL A 85 5.191 4.918 -9.716 1.00 15.00 H new ATOM 0 HA VAL A 85 5.292 2.404 -8.195 1.00 15.00 H new ATOM 0 HB VAL A 85 4.527 5.264 -7.602 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.750 4.587 -5.376 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.716 3.945 -6.674 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.883 2.878 -5.856 1.00 15.00 H new ATOM 0 HG21 VAL A 85 6.143 4.957 -5.750 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.406 3.276 -6.273 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.878 4.623 -7.336 1.00 15.00 H new ATOM 1251 N HIS A 86 3.168 1.775 -9.475 1.00 15.00 N ATOM 1252 CA HIS A 86 1.855 1.277 -9.874 1.00 15.00 C ATOM 1253 C HIS A 86 1.367 0.221 -8.889 1.00 15.00 C ATOM 1254 O HIS A 86 1.569 -0.976 -9.094 1.00 15.00 O ATOM 1255 CB HIS A 86 1.913 0.689 -11.284 1.00 15.00 C ATOM 1256 CG HIS A 86 0.564 0.485 -11.903 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.539 1.242 -11.569 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.143 -0.398 -12.839 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.580 0.833 -12.273 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -1.193 -0.160 -13.051 1.00 15.00 N ATOM 0 H HIS A 86 3.946 1.175 -9.747 1.00 15.00 H new ATOM 0 HA HIS A 86 1.155 2.112 -9.871 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.500 1.351 -11.921 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.436 -0.267 -11.249 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.745 -1.149 -13.328 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.578 1.242 -12.220 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.789 -0.668 -13.704 1.00 15.00 H new ATOM 1269 N LEU A 87 0.739 0.675 -7.812 1.00 15.00 N ATOM 1270 CA LEU A 87 0.237 -0.225 -6.781 1.00 15.00 C ATOM 1271 C LEU A 87 -1.277 -0.397 -6.863 1.00 15.00 C ATOM 1272 O LEU A 87 -2.022 0.577 -6.841 1.00 15.00 O ATOM 1273 CB LEU A 87 0.619 0.308 -5.400 1.00 15.00 C ATOM 1274 CG LEU A 87 1.563 -0.586 -4.606 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.668 0.236 -3.961 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.787 -1.361 -3.555 1.00 15.00 C ATOM 0 H LEU A 87 0.565 1.663 -7.629 1.00 15.00 H new ATOM 0 HA LEU A 87 0.692 -1.202 -6.944 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.084 1.287 -5.520 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.291 0.457 -4.819 1.00 15.00 H new ATOM 0 HG LEU A 87 2.028 -1.296 -5.290 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.330 -0.422 -3.399 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.238 0.750 -4.735 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.228 0.970 -3.286 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.471 -1.997 -2.993 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.299 -0.663 -2.875 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.033 -1.980 -4.042 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.724 -1.647 -6.931 1.00 15.00 N ATOM 1289 CA LEU A 88 -3.151 -1.948 -6.985 1.00 15.00 C ATOM 1290 C LEU A 88 -3.630 -2.417 -5.618 1.00 15.00 C ATOM 1291 O LEU A 88 -3.420 -3.569 -5.236 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.432 -3.016 -8.045 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.625 -2.485 -9.468 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.595 -1.410 -9.784 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.537 -3.621 -10.476 1.00 15.00 C ATOM 0 H LEU A 88 -1.119 -2.468 -6.950 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.694 -1.043 -7.259 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.607 -3.728 -8.049 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.327 -3.567 -7.755 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.617 -2.039 -9.536 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.749 -1.046 -10.800 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.704 -0.584 -9.082 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.593 -1.830 -9.697 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.676 -3.226 -11.482 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.558 -4.096 -10.405 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.313 -4.356 -10.264 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.250 -1.510 -4.873 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.731 -1.823 -3.533 1.00 15.00 C ATOM 1309 C LEU A 89 -6.245 -1.976 -3.484 1.00 15.00 C ATOM 1310 O LEU A 89 -6.911 -2.137 -4.506 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.315 -0.734 -2.541 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.338 0.299 -3.070 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.345 1.514 -2.171 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.950 -0.295 -3.157 1.00 15.00 C ATOM 0 H LEU A 89 -4.431 -0.552 -5.174 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.278 -2.775 -3.257 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.212 -0.217 -2.199 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.871 -1.213 -1.668 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.642 0.604 -4.071 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.642 2.254 -2.554 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.347 1.943 -2.147 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -3.051 1.222 -1.163 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.257 0.455 -3.538 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.629 -0.616 -2.166 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.963 -1.152 -3.830 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.771 -1.898 -2.265 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.200 -1.996 -2.019 1.00 15.00 C ATOM 1328 C GLU A 90 -8.612 -0.949 -0.986 1.00 15.00 C ATOM 1329 O GLU A 90 -7.904 -0.724 -0.005 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.563 -3.408 -1.540 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.661 -3.452 -0.485 1.00 15.00 C ATOM 1332 CD GLU A 90 -9.989 -4.864 -0.042 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.049 -5.672 0.113 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.187 -5.163 0.149 1.00 15.00 O ATOM 0 H GLU A 90 -6.214 -1.765 -1.421 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.740 -1.807 -2.947 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.878 -4.000 -2.399 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.669 -3.883 -1.136 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.351 -2.867 0.381 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.560 -2.982 -0.883 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.751 -0.306 -1.213 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.241 0.722 -0.301 1.00 15.00 C ATOM 1343 C LYS A 91 -10.223 0.230 1.145 1.00 15.00 C ATOM 1344 O LYS A 91 -11.035 -0.607 1.539 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.654 1.145 -0.701 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.116 2.431 -0.037 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.372 3.640 -0.582 1.00 15.00 C ATOM 1348 CE LYS A 91 -11.847 4.007 -1.979 1.00 15.00 C ATOM 1349 NZ LYS A 91 -12.263 5.435 -2.068 1.00 15.00 N ATOM 0 H LYS A 91 -10.352 -0.477 -2.019 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.578 1.584 -0.370 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.694 1.270 -1.783 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.349 0.345 -0.447 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.187 2.559 -0.196 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.960 2.362 1.040 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -11.517 4.489 0.087 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -10.303 3.430 -0.604 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -11.048 3.816 -2.696 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -12.684 3.367 -2.257 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -12.580 5.645 -3.036 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -13.043 5.612 -1.403 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -11.457 6.047 -1.827 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.283 0.755 1.926 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.163 0.360 3.318 1.00 15.00 C ATOM 1365 C GLY A 92 -10.395 0.694 4.135 1.00 15.00 C ATOM 1366 O GLY A 92 -10.579 1.837 4.555 1.00 15.00 O ATOM 0 H GLY A 92 -8.601 1.448 1.619 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -8.978 -0.713 3.371 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.297 0.855 3.757 1.00 15.00 H new