USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -13:sc= 1.37 USER MOD Set 1.2: A 60 ASN : amide:sc= -9.4! C(o=-9.5!,f=-13!) USER MOD Set 1.3: A 62 THR OG1 : rot 119:sc= -1.48! USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot -135:sc= 0.123! USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 8 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 87:sc= 0.437 USER MOD Single : A 38 SER OG : rot -42:sc= 0.00469 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0415 F(o=-0.62,f=-0.042) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.735! F(o=-1.6,f=-0.73!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.1) USER MOD Single : A 53 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.070 -14.264 4.046 1.00 0.00 N ATOM 106 CA GLU A 7 -13.432 -15.358 3.334 1.00 0.00 C ATOM 107 C GLU A 7 -12.753 -14.840 2.064 1.00 0.00 C ATOM 108 O GLU A 7 -11.673 -15.302 1.701 1.00 0.00 O ATOM 109 CB GLU A 7 -14.439 -16.461 3.007 1.00 0.00 C ATOM 110 CG GLU A 7 -14.715 -17.333 4.234 1.00 0.00 C ATOM 111 CD GLU A 7 -14.150 -18.742 4.043 1.00 0.00 C ATOM 112 OE1 GLU A 7 -12.953 -18.920 4.354 1.00 0.00 O ATOM 113 OE2 GLU A 7 -14.929 -19.609 3.590 1.00 0.00 O ATOM 0 HA GLU A 7 -12.668 -15.790 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.370 -16.016 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.056 -17.080 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.270 -16.875 5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.789 -17.389 4.411 1.00 0.00 H new ATOM 120 N GLN A 8 -13.416 -13.888 1.424 1.00 0.00 N ATOM 121 CA GLN A 8 -12.891 -13.303 0.202 1.00 0.00 C ATOM 122 C GLN A 8 -11.736 -12.352 0.523 1.00 0.00 C ATOM 123 O GLN A 8 -10.691 -12.397 -0.125 1.00 0.00 O ATOM 124 CB GLN A 8 -13.992 -12.583 -0.579 1.00 0.00 C ATOM 125 CG GLN A 8 -14.332 -13.336 -1.867 1.00 0.00 C ATOM 126 CD GLN A 8 -15.438 -14.366 -1.625 1.00 0.00 C ATOM 127 OE1 GLN A 8 -16.554 -14.240 -2.102 1.00 0.00 O ATOM 128 NE2 GLN A 8 -15.067 -15.388 -0.859 1.00 0.00 N ATOM 0 H GLN A 8 -14.312 -13.507 1.729 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.511 -14.107 -0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.884 -12.494 0.041 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.669 -11.570 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -14.650 -12.629 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.441 -13.836 -2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.116 -15.432 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.733 -16.128 -0.638 1.00 0.00 H new ATOM 137 N ILE A 9 -11.963 -11.512 1.523 1.00 0.00 N ATOM 138 CA ILE A 9 -10.954 -10.552 1.937 1.00 0.00 C ATOM 139 C ILE A 9 -9.659 -11.293 2.277 1.00 0.00 C ATOM 140 O ILE A 9 -8.569 -10.823 1.957 1.00 0.00 O ATOM 141 CB ILE A 9 -11.481 -9.681 3.079 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.098 -8.214 2.871 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.010 -10.210 4.435 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.241 -7.437 2.215 1.00 0.00 C ATOM 0 H ILE A 9 -12.831 -11.477 2.058 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.724 -9.866 1.122 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.570 -9.733 3.074 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.848 -7.760 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.206 -8.152 2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.399 -9.573 5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.375 -11.228 4.575 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.921 -10.207 4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.943 -6.397 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.472 -7.879 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.124 -7.481 2.853 1.00 0.00 H new ATOM 156 N ALA A 10 -9.823 -12.440 2.920 1.00 0.00 N ATOM 157 CA ALA A 10 -8.680 -13.251 3.306 1.00 0.00 C ATOM 158 C ALA A 10 -7.672 -13.283 2.156 1.00 0.00 C ATOM 159 O ALA A 10 -6.464 -13.214 2.382 1.00 0.00 O ATOM 160 CB ALA A 10 -9.157 -14.649 3.703 1.00 0.00 C ATOM 0 H ALA A 10 -10.729 -12.827 3.183 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.178 -12.820 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.300 -15.257 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.848 -14.573 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.663 -15.114 2.857 1.00 0.00 H new ATOM 166 N GLU A 11 -8.204 -13.389 0.947 1.00 0.00 N ATOM 167 CA GLU A 11 -7.365 -13.432 -0.239 1.00 0.00 C ATOM 168 C GLU A 11 -6.649 -12.094 -0.431 1.00 0.00 C ATOM 169 O GLU A 11 -5.465 -12.062 -0.765 1.00 0.00 O ATOM 170 CB GLU A 11 -8.186 -13.797 -1.477 1.00 0.00 C ATOM 171 CG GLU A 11 -8.725 -15.226 -1.376 1.00 0.00 C ATOM 172 CD GLU A 11 -9.449 -15.630 -2.662 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.752 -15.751 -3.692 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.684 -15.810 -2.585 1.00 0.00 O ATOM 0 H GLU A 11 -9.206 -13.446 0.763 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.612 -14.208 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.016 -13.099 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.568 -13.700 -2.369 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.903 -15.916 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.408 -15.302 -0.530 1.00 0.00 H new ATOM 181 N PHE A 12 -7.396 -11.022 -0.211 1.00 0.00 N ATOM 182 CA PHE A 12 -6.847 -9.684 -0.356 1.00 0.00 C ATOM 183 C PHE A 12 -5.753 -9.426 0.682 1.00 0.00 C ATOM 184 O PHE A 12 -4.781 -8.726 0.403 1.00 0.00 O ATOM 185 CB PHE A 12 -7.996 -8.701 -0.124 1.00 0.00 C ATOM 186 CG PHE A 12 -8.985 -8.615 -1.288 1.00 0.00 C ATOM 187 CD1 PHE A 12 -9.942 -9.569 -1.439 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.907 -7.583 -2.171 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.860 -9.488 -2.520 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.825 -7.503 -3.251 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.783 -8.457 -3.403 1.00 0.00 C ATOM 0 H PHE A 12 -8.377 -11.053 0.067 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.406 -9.568 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.535 -8.994 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.581 -7.710 0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.004 -10.388 -0.738 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.147 -6.825 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.620 -10.246 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.763 -6.684 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.482 -8.395 -4.224 1.00 0.00 H new ATOM 201 N LYS A 13 -5.948 -10.005 1.858 1.00 0.00 N ATOM 202 CA LYS A 13 -4.990 -9.846 2.938 1.00 0.00 C ATOM 203 C LYS A 13 -3.571 -9.923 2.372 1.00 0.00 C ATOM 204 O LYS A 13 -2.822 -8.948 2.428 1.00 0.00 O ATOM 205 CB LYS A 13 -5.264 -10.860 4.051 1.00 0.00 C ATOM 206 CG LYS A 13 -6.577 -10.544 4.769 1.00 0.00 C ATOM 207 CD LYS A 13 -6.606 -11.176 6.162 1.00 0.00 C ATOM 208 CE LYS A 13 -7.156 -10.195 7.199 1.00 0.00 C ATOM 209 NZ LYS A 13 -6.656 -10.533 8.550 1.00 0.00 N ATOM 0 H LYS A 13 -6.756 -10.585 2.086 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.096 -8.864 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.308 -11.864 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.442 -10.850 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.699 -9.464 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.416 -10.915 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.222 -12.075 6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.600 -11.485 6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.860 -9.179 6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.246 -10.222 7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.039 -9.857 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.960 -11.495 8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.617 -10.485 8.558 1.00 0.00 H new ATOM 223 N GLU A 14 -3.243 -11.091 1.838 1.00 0.00 N ATOM 224 CA GLU A 14 -1.927 -11.308 1.262 1.00 0.00 C ATOM 225 C GLU A 14 -1.530 -10.120 0.383 1.00 0.00 C ATOM 226 O GLU A 14 -0.372 -9.707 0.377 1.00 0.00 O ATOM 227 CB GLU A 14 -1.885 -12.615 0.469 1.00 0.00 C ATOM 228 CG GLU A 14 -2.012 -13.824 1.398 1.00 0.00 C ATOM 229 CD GLU A 14 -1.181 -15.001 0.883 1.00 0.00 C ATOM 230 OE1 GLU A 14 -1.741 -15.788 0.090 1.00 0.00 O ATOM 231 OE2 GLU A 14 -0.003 -15.087 1.294 1.00 0.00 O ATOM 0 H GLU A 14 -3.866 -11.897 1.792 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.205 -11.391 2.074 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.693 -12.627 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.950 -12.677 -0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.682 -13.553 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.058 -14.119 1.475 1.00 0.00 H new ATOM 238 N ALA A 15 -2.514 -9.604 -0.339 1.00 0.00 N ATOM 239 CA ALA A 15 -2.282 -8.472 -1.220 1.00 0.00 C ATOM 240 C ALA A 15 -1.739 -7.298 -0.402 1.00 0.00 C ATOM 241 O ALA A 15 -0.672 -6.768 -0.705 1.00 0.00 O ATOM 242 CB ALA A 15 -3.579 -8.122 -1.953 1.00 0.00 C ATOM 0 H ALA A 15 -3.474 -9.949 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.537 -8.720 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.406 -7.273 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.907 -8.979 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.350 -7.865 -1.226 1.00 0.00 H new ATOM 248 N PHE A 16 -2.499 -6.927 0.618 1.00 0.00 N ATOM 249 CA PHE A 16 -2.107 -5.826 1.481 1.00 0.00 C ATOM 250 C PHE A 16 -0.738 -6.085 2.113 1.00 0.00 C ATOM 251 O PHE A 16 0.018 -5.149 2.370 1.00 0.00 O ATOM 252 CB PHE A 16 -3.158 -5.731 2.589 1.00 0.00 C ATOM 253 CG PHE A 16 -3.015 -4.494 3.478 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.194 -3.253 2.950 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.708 -4.634 4.795 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.061 -2.105 3.774 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.575 -3.486 5.620 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.755 -2.245 5.092 1.00 0.00 C ATOM 0 H PHE A 16 -3.384 -7.369 0.866 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.041 -4.905 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.149 -5.728 2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.096 -6.623 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.437 -3.141 1.904 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.565 -5.619 5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.203 -1.120 3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.331 -3.598 6.666 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.655 -1.371 5.719 1.00 0.00 H new ATOM 268 N SER A 17 -0.461 -7.360 2.345 1.00 0.00 N ATOM 269 CA SER A 17 0.804 -7.753 2.943 1.00 0.00 C ATOM 270 C SER A 17 1.963 -7.343 2.032 1.00 0.00 C ATOM 271 O SER A 17 2.930 -6.736 2.489 1.00 0.00 O ATOM 272 CB SER A 17 0.843 -9.260 3.205 1.00 0.00 C ATOM 273 OG SER A 17 2.157 -9.793 3.063 1.00 0.00 O ATOM 0 H SER A 17 -1.090 -8.133 2.130 1.00 0.00 H new ATOM 0 HA SER A 17 0.904 -7.241 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.476 -9.463 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.170 -9.766 2.513 1.00 0.00 H new ATOM 0 HG SER A 17 2.140 -10.757 3.240 1.00 0.00 H new ATOM 279 N LEU A 18 1.826 -7.690 0.761 1.00 0.00 N ATOM 280 CA LEU A 18 2.850 -7.365 -0.218 1.00 0.00 C ATOM 281 C LEU A 18 3.340 -5.935 0.019 1.00 0.00 C ATOM 282 O LEU A 18 4.492 -5.723 0.392 1.00 0.00 O ATOM 283 CB LEU A 18 2.333 -7.611 -1.636 1.00 0.00 C ATOM 284 CG LEU A 18 2.878 -8.854 -2.343 1.00 0.00 C ATOM 285 CD1 LEU A 18 1.934 -10.045 -2.163 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.162 -8.566 -3.818 1.00 0.00 C ATOM 0 H LEU A 18 1.022 -8.193 0.386 1.00 0.00 H new ATOM 0 HA LEU A 18 3.712 -8.022 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.246 -7.687 -1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.570 -6.738 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 18 3.827 -9.122 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.345 -10.915 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.826 -10.266 -1.101 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.958 -9.803 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.548 -9.466 -4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.241 -8.259 -4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.900 -7.768 -3.897 1.00 0.00 H new ATOM 298 N PHE A 19 2.439 -4.990 -0.208 1.00 0.00 N ATOM 299 CA PHE A 19 2.765 -3.586 -0.025 1.00 0.00 C ATOM 300 C PHE A 19 3.268 -3.321 1.396 1.00 0.00 C ATOM 301 O PHE A 19 4.287 -2.659 1.584 1.00 0.00 O ATOM 302 CB PHE A 19 1.476 -2.794 -0.253 1.00 0.00 C ATOM 303 CG PHE A 19 1.155 -2.540 -1.727 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.714 -1.481 -2.372 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.310 -3.372 -2.392 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.415 -1.245 -3.740 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.011 -3.136 -3.760 1.00 0.00 C ATOM 308 CZ PHE A 19 0.570 -2.077 -4.405 1.00 0.00 C ATOM 0 H PHE A 19 1.484 -5.169 -0.517 1.00 0.00 H new ATOM 0 HA PHE A 19 3.551 -3.293 -0.721 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.645 -3.333 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.554 -1.836 0.262 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.385 -0.820 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.134 -4.213 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.859 -0.404 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.660 -3.797 -4.288 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.343 -1.897 -5.445 1.00 0.00 H new ATOM 318 N ASP A 20 2.529 -3.851 2.359 1.00 0.00 N ATOM 319 CA ASP A 20 2.887 -3.681 3.757 1.00 0.00 C ATOM 320 C ASP A 20 4.167 -4.465 4.051 1.00 0.00 C ATOM 321 O ASP A 20 4.617 -5.258 3.225 1.00 0.00 O ATOM 322 CB ASP A 20 1.785 -4.212 4.677 1.00 0.00 C ATOM 323 CG ASP A 20 2.239 -4.557 6.096 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.635 -3.611 6.811 1.00 0.00 O ATOM 325 OD2 ASP A 20 2.179 -5.759 6.435 1.00 0.00 O ATOM 0 H ASP A 20 1.684 -4.399 2.199 1.00 0.00 H new ATOM 0 HA ASP A 20 3.028 -2.616 3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.992 -3.467 4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.352 -5.103 4.223 1.00 0.00 H new ATOM 330 N LYS A 21 4.718 -4.216 5.230 1.00 0.00 N ATOM 331 CA LYS A 21 5.938 -4.889 5.643 1.00 0.00 C ATOM 332 C LYS A 21 6.311 -4.437 7.056 1.00 0.00 C ATOM 333 O LYS A 21 7.490 -4.278 7.369 1.00 0.00 O ATOM 334 CB LYS A 21 7.047 -4.667 4.613 1.00 0.00 C ATOM 335 CG LYS A 21 7.841 -5.954 4.376 1.00 0.00 C ATOM 336 CD LYS A 21 9.243 -5.852 4.982 1.00 0.00 C ATOM 337 CE LYS A 21 9.429 -6.873 6.106 1.00 0.00 C ATOM 338 NZ LYS A 21 10.851 -6.942 6.513 1.00 0.00 N ATOM 0 H LYS A 21 4.342 -3.558 5.912 1.00 0.00 H new ATOM 0 HA LYS A 21 5.784 -5.967 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.613 -4.325 3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.717 -3.880 4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.311 -6.799 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.916 -6.147 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.991 -6.018 4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.404 -4.846 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.813 -6.597 6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.092 -7.855 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.960 -7.640 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.432 -7.227 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.161 -6.008 6.850 1.00 0.00 H new ATOM 352 N ASP A 22 5.285 -4.244 7.871 1.00 0.00 N ATOM 353 CA ASP A 22 5.491 -3.813 9.244 1.00 0.00 C ATOM 354 C ASP A 22 4.568 -4.611 10.168 1.00 0.00 C ATOM 355 O ASP A 22 4.429 -4.284 11.345 1.00 0.00 O ATOM 356 CB ASP A 22 5.159 -2.329 9.411 1.00 0.00 C ATOM 357 CG ASP A 22 5.099 -1.529 8.109 1.00 0.00 C ATOM 358 OD1 ASP A 22 6.141 -1.489 7.419 1.00 0.00 O ATOM 359 OD2 ASP A 22 4.013 -0.975 7.832 1.00 0.00 O ATOM 0 H ASP A 22 4.309 -4.378 7.608 1.00 0.00 H new ATOM 0 HA ASP A 22 6.538 -3.979 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.198 -2.242 9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.906 -1.876 10.064 1.00 0.00 H new ATOM 364 N GLY A 23 3.962 -5.643 9.598 1.00 0.00 N ATOM 365 CA GLY A 23 3.057 -6.490 10.356 1.00 0.00 C ATOM 366 C GLY A 23 2.230 -5.664 11.344 1.00 0.00 C ATOM 367 O GLY A 23 1.830 -6.164 12.394 1.00 0.00 O ATOM 0 H GLY A 23 4.080 -5.911 8.621 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.392 -7.020 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.627 -7.246 10.896 1.00 0.00 H new ATOM 371 N ASP A 24 1.999 -4.413 10.972 1.00 0.00 N ATOM 372 CA ASP A 24 1.227 -3.513 11.812 1.00 0.00 C ATOM 373 C ASP A 24 -0.213 -3.453 11.299 1.00 0.00 C ATOM 374 O ASP A 24 -1.149 -3.309 12.084 1.00 0.00 O ATOM 375 CB ASP A 24 1.802 -2.096 11.774 1.00 0.00 C ATOM 376 CG ASP A 24 1.490 -1.306 10.502 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.787 -1.843 9.413 1.00 0.00 O ATOM 378 OD2 ASP A 24 0.963 -0.182 10.647 1.00 0.00 O ATOM 0 H ASP A 24 2.333 -4.002 10.100 1.00 0.00 H new ATOM 0 HA ASP A 24 1.264 -3.890 12.834 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.419 -1.542 12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.884 -2.156 11.890 1.00 0.00 H new ATOM 383 N GLY A 25 -0.345 -3.566 9.986 1.00 0.00 N ATOM 384 CA GLY A 25 -1.655 -3.527 9.359 1.00 0.00 C ATOM 385 C GLY A 25 -1.859 -2.217 8.595 1.00 0.00 C ATOM 386 O GLY A 25 -2.992 -1.812 8.340 1.00 0.00 O ATOM 0 H GLY A 25 0.434 -3.685 9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.761 -4.370 8.677 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.429 -3.633 10.119 1.00 0.00 H new ATOM 390 N THR A 26 -0.743 -1.590 8.251 1.00 0.00 N ATOM 391 CA THR A 26 -0.784 -0.334 7.522 1.00 0.00 C ATOM 392 C THR A 26 0.208 -0.361 6.358 1.00 0.00 C ATOM 393 O THR A 26 1.133 -1.171 6.344 1.00 0.00 O ATOM 394 CB THR A 26 -0.523 0.799 8.516 1.00 0.00 C ATOM 395 OG1 THR A 26 -1.299 1.885 8.016 1.00 0.00 O ATOM 396 CG2 THR A 26 0.917 1.311 8.456 1.00 0.00 C ATOM 0 H THR A 26 0.195 -1.929 8.464 1.00 0.00 H new ATOM 0 HA THR A 26 -1.763 -0.171 7.071 1.00 0.00 H new ATOM 0 HB THR A 26 -0.743 0.453 9.526 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.599 1.681 7.106 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.048 2.114 9.181 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.603 0.496 8.689 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.128 1.688 7.455 1.00 0.00 H new ATOM 404 N ILE A 27 -0.019 0.535 5.408 1.00 0.00 N ATOM 405 CA ILE A 27 0.843 0.624 4.242 1.00 0.00 C ATOM 406 C ILE A 27 1.274 2.079 4.041 1.00 0.00 C ATOM 407 O ILE A 27 0.632 2.823 3.301 1.00 0.00 O ATOM 408 CB ILE A 27 0.157 0.012 3.020 1.00 0.00 C ATOM 409 CG1 ILE A 27 -0.115 -1.479 3.233 1.00 0.00 C ATOM 410 CG2 ILE A 27 0.968 0.270 1.748 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.810 -2.089 2.014 1.00 0.00 C ATOM 0 H ILE A 27 -0.788 1.205 5.422 1.00 0.00 H new ATOM 0 HA ILE A 27 1.751 0.040 4.395 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.809 0.501 2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.824 -2.001 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.737 -1.616 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.458 -0.176 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.067 1.344 1.591 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.958 -0.174 1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.992 -3.149 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.760 -1.581 1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.174 -1.972 1.136 1.00 0.00 H new ATOM 423 N THR A 28 2.356 2.440 4.714 1.00 0.00 N ATOM 424 CA THR A 28 2.879 3.792 4.619 1.00 0.00 C ATOM 425 C THR A 28 3.342 4.086 3.190 1.00 0.00 C ATOM 426 O THR A 28 2.851 3.482 2.238 1.00 0.00 O ATOM 427 CB THR A 28 3.989 3.944 5.661 1.00 0.00 C ATOM 428 OG1 THR A 28 4.440 5.286 5.495 1.00 0.00 O ATOM 429 CG2 THR A 28 5.220 3.095 5.334 1.00 0.00 C ATOM 0 H THR A 28 2.885 1.820 5.327 1.00 0.00 H new ATOM 0 HA THR A 28 2.107 4.531 4.835 1.00 0.00 H new ATOM 0 HB THR A 28 3.605 3.665 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.420 5.304 5.497 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.977 3.240 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.937 2.043 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.624 3.397 4.368 1.00 0.00 H new ATOM 437 N THR A 29 4.283 5.013 3.086 1.00 0.00 N ATOM 438 CA THR A 29 4.818 5.393 1.790 1.00 0.00 C ATOM 439 C THR A 29 6.013 4.510 1.426 1.00 0.00 C ATOM 440 O THR A 29 6.009 3.850 0.388 1.00 0.00 O ATOM 441 CB THR A 29 5.157 6.885 1.838 1.00 0.00 C ATOM 442 OG1 THR A 29 5.732 7.069 3.129 1.00 0.00 O ATOM 443 CG2 THR A 29 3.909 7.769 1.856 1.00 0.00 C ATOM 0 H THR A 29 4.688 5.512 3.878 1.00 0.00 H new ATOM 0 HA THR A 29 4.085 5.236 0.998 1.00 0.00 H new ATOM 0 HB THR A 29 5.773 7.145 0.977 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.983 8.009 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.206 8.817 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.322 7.587 0.956 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.309 7.533 2.735 1.00 0.00 H new ATOM 451 N LYS A 30 7.008 4.526 2.300 1.00 0.00 N ATOM 452 CA LYS A 30 8.208 3.735 2.084 1.00 0.00 C ATOM 453 C LYS A 30 7.810 2.312 1.684 1.00 0.00 C ATOM 454 O LYS A 30 8.503 1.668 0.899 1.00 0.00 O ATOM 455 CB LYS A 30 9.119 3.796 3.312 1.00 0.00 C ATOM 456 CG LYS A 30 10.576 3.534 2.926 1.00 0.00 C ATOM 457 CD LYS A 30 11.496 3.660 4.142 1.00 0.00 C ATOM 458 CE LYS A 30 12.198 2.334 4.439 1.00 0.00 C ATOM 459 NZ LYS A 30 12.131 2.024 5.885 1.00 0.00 N ATOM 0 H LYS A 30 7.008 5.075 3.160 1.00 0.00 H new ATOM 0 HA LYS A 30 8.793 4.147 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.034 4.775 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.795 3.059 4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.669 2.536 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.885 4.242 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.239 4.436 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.916 3.971 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.731 1.532 3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.239 2.388 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.612 1.121 6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.598 2.781 6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.136 1.952 6.179 1.00 0.00 H new ATOM 473 N GLU A 31 6.694 1.865 2.242 1.00 0.00 N ATOM 474 CA GLU A 31 6.195 0.531 1.953 1.00 0.00 C ATOM 475 C GLU A 31 5.524 0.502 0.578 1.00 0.00 C ATOM 476 O GLU A 31 5.601 -0.499 -0.133 1.00 0.00 O ATOM 477 CB GLU A 31 5.233 0.058 3.044 1.00 0.00 C ATOM 478 CG GLU A 31 5.967 -0.155 4.369 1.00 0.00 C ATOM 479 CD GLU A 31 4.989 -0.150 5.545 1.00 0.00 C ATOM 480 OE1 GLU A 31 3.978 -0.878 5.446 1.00 0.00 O ATOM 481 OE2 GLU A 31 5.274 0.583 6.517 1.00 0.00 O ATOM 0 H GLU A 31 6.121 2.403 2.893 1.00 0.00 H new ATOM 0 HA GLU A 31 7.040 -0.157 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.440 0.794 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.756 -0.872 2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.505 -1.103 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.711 0.630 4.507 1.00 0.00 H new ATOM 488 N LEU A 32 4.881 1.611 0.245 1.00 0.00 N ATOM 489 CA LEU A 32 4.197 1.725 -1.032 1.00 0.00 C ATOM 490 C LEU A 32 5.233 1.845 -2.152 1.00 0.00 C ATOM 491 O LEU A 32 4.968 1.462 -3.290 1.00 0.00 O ATOM 492 CB LEU A 32 3.190 2.877 -0.999 1.00 0.00 C ATOM 493 CG LEU A 32 1.953 2.711 -1.884 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.848 1.953 -1.145 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.468 4.064 -2.407 1.00 0.00 C ATOM 0 H LEU A 32 4.819 2.439 0.837 1.00 0.00 H new ATOM 0 HA LEU A 32 3.613 0.827 -1.233 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.860 3.016 0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.704 3.792 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 32 2.231 2.111 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.020 1.849 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.211 0.965 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.565 2.505 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.588 3.918 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.212 4.709 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.258 4.531 -2.995 1.00 0.00 H new ATOM 507 N GLY A 33 6.390 2.378 -1.789 1.00 0.00 N ATOM 508 CA GLY A 33 7.467 2.553 -2.749 1.00 0.00 C ATOM 509 C GLY A 33 8.428 1.362 -2.719 1.00 0.00 C ATOM 510 O GLY A 33 9.382 1.310 -3.493 1.00 0.00 O ATOM 0 H GLY A 33 6.606 2.694 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.052 2.664 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.012 3.470 -2.526 1.00 0.00 H new ATOM 514 N THR A 34 8.142 0.436 -1.816 1.00 0.00 N ATOM 515 CA THR A 34 8.969 -0.751 -1.675 1.00 0.00 C ATOM 516 C THR A 34 8.568 -1.806 -2.707 1.00 0.00 C ATOM 517 O THR A 34 9.376 -2.194 -3.550 1.00 0.00 O ATOM 518 CB THR A 34 8.851 -1.240 -0.229 1.00 0.00 C ATOM 519 OG1 THR A 34 10.031 -0.747 0.401 1.00 0.00 O ATOM 520 CG2 THR A 34 8.975 -2.760 -0.114 1.00 0.00 C ATOM 0 H THR A 34 7.350 0.483 -1.175 1.00 0.00 H new ATOM 0 HA THR A 34 10.017 -0.529 -1.874 1.00 0.00 H new ATOM 0 HB THR A 34 7.895 -0.921 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.870 0.161 0.733 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.884 -3.054 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.184 -3.235 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.945 -3.076 -0.497 1.00 0.00 H new ATOM 528 N VAL A 35 7.321 -2.241 -2.608 1.00 0.00 N ATOM 529 CA VAL A 35 6.803 -3.245 -3.523 1.00 0.00 C ATOM 530 C VAL A 35 7.118 -2.828 -4.961 1.00 0.00 C ATOM 531 O VAL A 35 7.255 -3.676 -5.841 1.00 0.00 O ATOM 532 CB VAL A 35 5.308 -3.456 -3.276 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.592 -3.863 -4.565 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.076 -4.488 -2.170 1.00 0.00 C ATOM 0 H VAL A 35 6.653 -1.917 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 35 7.286 -4.206 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 35 4.886 -2.508 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.531 -4.007 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.715 -3.080 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.019 -4.793 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.005 -4.620 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.520 -5.440 -2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.537 -4.141 -1.246 1.00 0.00 H new ATOM 544 N MET A 36 7.224 -1.521 -5.155 1.00 0.00 N ATOM 545 CA MET A 36 7.521 -0.982 -6.471 1.00 0.00 C ATOM 546 C MET A 36 8.926 -1.383 -6.924 1.00 0.00 C ATOM 547 O MET A 36 9.124 -1.776 -8.073 1.00 0.00 O ATOM 548 CB MET A 36 7.412 0.544 -6.434 1.00 0.00 C ATOM 549 CG MET A 36 5.988 0.983 -6.088 1.00 0.00 C ATOM 550 SD MET A 36 5.261 1.846 -7.471 1.00 0.00 S ATOM 551 CE MET A 36 3.547 1.840 -6.975 1.00 0.00 C ATOM 0 H MET A 36 7.109 -0.820 -4.423 1.00 0.00 H new ATOM 0 HA MET A 36 6.801 -1.390 -7.181 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.109 0.944 -5.698 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.699 0.956 -7.401 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.383 0.113 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.001 1.630 -5.211 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.947 2.344 -7.733 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.204 0.811 -6.865 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.442 2.361 -6.023 1.00 0.00 H new ATOM 561 N ARG A 37 9.867 -1.268 -5.998 1.00 0.00 N ATOM 562 CA ARG A 37 11.248 -1.614 -6.288 1.00 0.00 C ATOM 563 C ARG A 37 11.338 -3.050 -6.807 1.00 0.00 C ATOM 564 O ARG A 37 12.315 -3.418 -7.458 1.00 0.00 O ATOM 565 CB ARG A 37 12.124 -1.474 -5.041 1.00 0.00 C ATOM 566 CG ARG A 37 12.095 -0.040 -4.509 1.00 0.00 C ATOM 567 CD ARG A 37 12.436 -0.002 -3.018 1.00 0.00 C ATOM 568 NE ARG A 37 11.709 1.108 -2.361 1.00 0.00 N ATOM 569 CZ ARG A 37 11.915 1.495 -1.095 1.00 0.00 C ATOM 570 NH1 ARG A 37 12.828 0.867 -0.342 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.209 2.512 -0.582 1.00 0.00 N ATOM 0 H ARG A 37 9.700 -0.940 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 37 11.609 -0.925 -7.052 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.775 -2.159 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.149 -1.757 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.806 0.572 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.108 0.392 -4.671 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.168 -0.950 -2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.510 0.127 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 37 11.008 1.609 -2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.367 0.094 -0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.984 1.162 0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.515 2.991 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.366 2.807 0.382 1.00 0.00 H new ATOM 585 N SER A 38 10.306 -3.822 -6.501 1.00 0.00 N ATOM 586 CA SER A 38 10.257 -5.210 -6.929 1.00 0.00 C ATOM 587 C SER A 38 9.749 -5.295 -8.370 1.00 0.00 C ATOM 588 O SER A 38 9.756 -6.368 -8.972 1.00 0.00 O ATOM 589 CB SER A 38 9.367 -6.041 -6.003 1.00 0.00 C ATOM 590 OG SER A 38 9.670 -7.431 -6.077 1.00 0.00 O ATOM 0 H SER A 38 9.497 -3.513 -5.962 1.00 0.00 H new ATOM 0 HA SER A 38 11.266 -5.619 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.491 -5.697 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.321 -5.883 -6.268 1.00 0.00 H new ATOM 0 HG SER A 38 9.823 -7.683 -7.012 1.00 0.00 H new ATOM 596 N LEU A 39 9.321 -4.151 -8.881 1.00 0.00 N ATOM 597 CA LEU A 39 8.811 -4.083 -10.240 1.00 0.00 C ATOM 598 C LEU A 39 9.731 -3.196 -11.082 1.00 0.00 C ATOM 599 O LEU A 39 9.401 -2.854 -12.216 1.00 0.00 O ATOM 600 CB LEU A 39 7.350 -3.629 -10.242 1.00 0.00 C ATOM 601 CG LEU A 39 6.358 -4.563 -10.938 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.678 -5.492 -9.930 1.00 0.00 C ATOM 603 CD2 LEU A 39 5.342 -3.768 -11.761 1.00 0.00 C ATOM 0 H LEU A 39 9.317 -3.263 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 39 8.814 -5.072 -10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.030 -3.497 -9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.295 -2.651 -10.720 1.00 0.00 H new ATOM 0 HG LEU A 39 6.913 -5.194 -11.633 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.978 -6.145 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.432 -6.097 -9.426 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.139 -4.897 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.649 -4.455 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.788 -3.096 -11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.865 -3.185 -12.520 1.00 0.00 H new ATOM 615 N GLY A 40 10.867 -2.850 -10.494 1.00 0.00 N ATOM 616 CA GLY A 40 11.837 -2.010 -11.176 1.00 0.00 C ATOM 617 C GLY A 40 11.400 -0.544 -11.158 1.00 0.00 C ATOM 618 O GLY A 40 11.816 0.241 -12.009 1.00 0.00 O ATOM 0 H GLY A 40 11.137 -3.136 -9.553 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.811 -2.109 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.954 -2.346 -12.206 1.00 0.00 H new ATOM 622 N GLN A 41 10.568 -0.219 -10.180 1.00 0.00 N ATOM 623 CA GLN A 41 10.071 1.140 -10.040 1.00 0.00 C ATOM 624 C GLN A 41 10.687 1.806 -8.808 1.00 0.00 C ATOM 625 O GLN A 41 11.481 1.192 -8.097 1.00 0.00 O ATOM 626 CB GLN A 41 8.543 1.160 -9.968 1.00 0.00 C ATOM 627 CG GLN A 41 7.930 1.239 -11.368 1.00 0.00 C ATOM 628 CD GLN A 41 6.485 0.735 -11.362 1.00 0.00 C ATOM 629 OE1 GLN A 41 6.358 -0.546 -11.696 1.00 0.00 O flip ATOM 630 NE2 GLN A 41 5.548 1.461 -11.074 1.00 0.00 N flip ATOM 0 H GLN A 41 10.225 -0.873 -9.476 1.00 0.00 H new ATOM 0 HA GLN A 41 10.368 1.708 -10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.187 0.263 -9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.214 2.013 -9.374 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.958 2.269 -11.724 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.523 0.645 -12.063 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.716 2.436 -10.827 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.597 1.093 -11.080 1.00 0.00 H new ATOM 639 N ASN A 42 10.297 3.054 -8.593 1.00 0.00 N ATOM 640 CA ASN A 42 10.800 3.810 -7.459 1.00 0.00 C ATOM 641 C ASN A 42 10.246 5.235 -7.515 1.00 0.00 C ATOM 642 O ASN A 42 10.977 6.178 -7.812 1.00 0.00 O ATOM 643 CB ASN A 42 12.327 3.896 -7.488 1.00 0.00 C ATOM 644 CG ASN A 42 12.859 4.633 -6.257 1.00 0.00 C ATOM 645 OD1 ASN A 42 13.639 3.890 -5.477 1.00 0.00 O flip ATOM 646 ND2 ASN A 42 12.580 5.799 -6.031 1.00 0.00 N flip ATOM 0 H ASN A 42 9.639 3.560 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 42 10.484 3.301 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.750 2.892 -7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.648 4.412 -8.392 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.975 6.312 -6.672 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.952 6.261 -5.201 1.00 0.00 H new ATOM 653 N PRO A 43 8.924 5.350 -7.217 1.00 0.00 N ATOM 654 CA PRO A 43 8.263 6.643 -7.231 1.00 0.00 C ATOM 655 C PRO A 43 8.646 7.469 -6.001 1.00 0.00 C ATOM 656 O PRO A 43 8.750 6.934 -4.898 1.00 0.00 O ATOM 657 CB PRO A 43 6.777 6.326 -7.294 1.00 0.00 C ATOM 658 CG PRO A 43 6.641 4.880 -6.845 1.00 0.00 C ATOM 659 CD PRO A 43 8.026 4.254 -6.861 1.00 0.00 C ATOM 0 HA PRO A 43 8.562 7.258 -8.080 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.208 6.992 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.392 6.459 -8.305 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.211 4.830 -5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.969 4.336 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.281 3.833 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.085 3.442 -7.586 1.00 0.00 H new ATOM 667 N THR A 44 8.847 8.758 -6.232 1.00 0.00 N ATOM 668 CA THR A 44 9.218 9.662 -5.157 1.00 0.00 C ATOM 669 C THR A 44 8.145 9.660 -4.066 1.00 0.00 C ATOM 670 O THR A 44 7.011 9.249 -4.306 1.00 0.00 O ATOM 671 CB THR A 44 9.464 11.044 -5.765 1.00 0.00 C ATOM 672 OG1 THR A 44 8.200 11.415 -6.307 1.00 0.00 O ATOM 673 CG2 THR A 44 10.391 10.992 -6.981 1.00 0.00 C ATOM 0 H THR A 44 8.760 9.198 -7.148 1.00 0.00 H new ATOM 0 HA THR A 44 10.137 9.339 -4.667 1.00 0.00 H new ATOM 0 HB THR A 44 9.894 11.702 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.269 12.301 -6.720 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.532 11.999 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.356 10.579 -6.686 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.946 10.361 -7.751 1.00 0.00 H new ATOM 681 N GLU A 45 8.542 10.125 -2.890 1.00 0.00 N ATOM 682 CA GLU A 45 7.629 10.182 -1.761 1.00 0.00 C ATOM 683 C GLU A 45 6.427 11.069 -2.095 1.00 0.00 C ATOM 684 O GLU A 45 5.372 10.949 -1.475 1.00 0.00 O ATOM 685 CB GLU A 45 8.343 10.679 -0.503 1.00 0.00 C ATOM 686 CG GLU A 45 8.443 9.568 0.545 1.00 0.00 C ATOM 687 CD GLU A 45 8.933 10.121 1.885 1.00 0.00 C ATOM 688 OE1 GLU A 45 9.871 10.946 1.850 1.00 0.00 O ATOM 689 OE2 GLU A 45 8.358 9.706 2.914 1.00 0.00 O ATOM 0 H GLU A 45 9.483 10.466 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 45 7.268 9.173 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.342 11.031 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.804 11.530 -0.086 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.468 9.098 0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.126 8.794 0.195 1.00 0.00 H new ATOM 696 N ALA A 46 6.627 11.937 -3.075 1.00 0.00 N ATOM 697 CA ALA A 46 5.573 12.843 -3.499 1.00 0.00 C ATOM 698 C ALA A 46 4.502 12.054 -4.255 1.00 0.00 C ATOM 699 O ALA A 46 3.309 12.238 -4.019 1.00 0.00 O ATOM 700 CB ALA A 46 6.175 13.967 -4.345 1.00 0.00 C ATOM 0 H ALA A 46 7.503 12.032 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 46 5.094 13.305 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.384 14.646 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.908 14.515 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.662 13.541 -5.222 1.00 0.00 H new ATOM 706 N GLU A 47 4.966 11.193 -5.148 1.00 0.00 N ATOM 707 CA GLU A 47 4.063 10.376 -5.939 1.00 0.00 C ATOM 708 C GLU A 47 3.187 9.516 -5.026 1.00 0.00 C ATOM 709 O GLU A 47 1.962 9.626 -5.050 1.00 0.00 O ATOM 710 CB GLU A 47 4.837 9.507 -6.933 1.00 0.00 C ATOM 711 CG GLU A 47 3.884 8.677 -7.795 1.00 0.00 C ATOM 712 CD GLU A 47 3.846 9.203 -9.232 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.783 8.862 -9.986 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.881 9.934 -9.543 1.00 0.00 O ATOM 0 H GLU A 47 5.956 11.043 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 47 3.415 11.038 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.453 10.140 -7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.514 8.845 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.201 7.634 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.882 8.706 -7.367 1.00 0.00 H new ATOM 721 N LEU A 48 3.849 8.678 -4.242 1.00 0.00 N ATOM 722 CA LEU A 48 3.146 7.800 -3.322 1.00 0.00 C ATOM 723 C LEU A 48 2.077 8.600 -2.576 1.00 0.00 C ATOM 724 O LEU A 48 0.892 8.281 -2.651 1.00 0.00 O ATOM 725 CB LEU A 48 4.137 7.087 -2.399 1.00 0.00 C ATOM 726 CG LEU A 48 5.217 6.252 -3.090 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.492 6.198 -2.247 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.695 4.854 -3.431 1.00 0.00 C ATOM 0 H LEU A 48 4.865 8.588 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 48 2.630 7.011 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.627 7.836 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.575 6.436 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 48 5.474 6.738 -4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.243 5.598 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.873 7.208 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.269 5.749 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.482 4.281 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.392 4.345 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.838 4.939 -4.099 1.00 0.00 H new ATOM 740 N GLN A 49 2.535 9.625 -1.872 1.00 0.00 N ATOM 741 CA GLN A 49 1.632 10.474 -1.113 1.00 0.00 C ATOM 742 C GLN A 49 0.356 10.741 -1.913 1.00 0.00 C ATOM 743 O GLN A 49 -0.747 10.663 -1.373 1.00 0.00 O ATOM 744 CB GLN A 49 2.315 11.785 -0.716 1.00 0.00 C ATOM 745 CG GLN A 49 2.030 12.131 0.746 1.00 0.00 C ATOM 746 CD GLN A 49 2.960 11.360 1.684 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.158 11.264 1.472 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.345 10.817 2.731 1.00 0.00 N ATOM 0 H GLN A 49 3.519 9.887 -1.811 1.00 0.00 H new ATOM 0 HA GLN A 49 1.360 9.952 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.391 11.700 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.964 12.592 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.158 13.202 0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.992 11.896 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.339 10.935 2.849 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.880 10.282 3.416 1.00 0.00 H new ATOM 757 N ASP A 50 0.548 11.052 -3.186 1.00 0.00 N ATOM 758 CA ASP A 50 -0.575 11.331 -4.066 1.00 0.00 C ATOM 759 C ASP A 50 -1.425 10.068 -4.217 1.00 0.00 C ATOM 760 O ASP A 50 -2.653 10.135 -4.189 1.00 0.00 O ATOM 761 CB ASP A 50 -0.094 11.746 -5.458 1.00 0.00 C ATOM 762 CG ASP A 50 -0.473 13.169 -5.875 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.287 14.090 -5.507 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.515 13.302 -6.553 1.00 0.00 O ATOM 0 H ASP A 50 1.464 11.117 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.154 12.144 -3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.991 11.649 -5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.501 11.048 -6.190 1.00 0.00 H new ATOM 769 N MET A 51 -0.738 8.946 -4.375 1.00 0.00 N ATOM 770 CA MET A 51 -1.415 7.670 -4.531 1.00 0.00 C ATOM 771 C MET A 51 -2.155 7.282 -3.250 1.00 0.00 C ATOM 772 O MET A 51 -3.368 7.078 -3.267 1.00 0.00 O ATOM 773 CB MET A 51 -0.390 6.587 -4.877 1.00 0.00 C ATOM 774 CG MET A 51 0.437 6.985 -6.101 1.00 0.00 C ATOM 775 SD MET A 51 1.926 6.005 -6.177 1.00 0.00 S ATOM 776 CE MET A 51 1.784 5.353 -7.832 1.00 0.00 C ATOM 0 H MET A 51 0.280 8.894 -4.398 1.00 0.00 H new ATOM 0 HA MET A 51 -2.144 7.763 -5.336 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.270 6.421 -4.026 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.903 5.645 -5.071 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.149 6.841 -7.009 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.691 8.044 -6.050 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.640 4.713 -8.046 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.866 4.771 -7.916 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.759 6.176 -8.546 1.00 0.00 H new ATOM 786 N ILE A 52 -1.394 7.191 -2.169 1.00 0.00 N ATOM 787 CA ILE A 52 -1.963 6.831 -0.881 1.00 0.00 C ATOM 788 C ILE A 52 -3.271 7.597 -0.674 1.00 0.00 C ATOM 789 O ILE A 52 -4.286 7.011 -0.299 1.00 0.00 O ATOM 790 CB ILE A 52 -0.940 7.047 0.236 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.158 5.983 0.186 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.625 7.101 1.603 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.969 5.971 1.484 1.00 0.00 C ATOM 0 H ILE A 52 -0.388 7.360 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.208 5.769 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.460 8.013 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.288 5.002 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.819 6.177 -0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.876 7.255 2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.340 7.924 1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.148 6.162 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.743 5.206 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.434 6.946 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.309 5.753 2.323 1.00 0.00 H new ATOM 805 N ASN A 53 -3.205 8.896 -0.927 1.00 0.00 N ATOM 806 CA ASN A 53 -4.371 9.749 -0.773 1.00 0.00 C ATOM 807 C ASN A 53 -5.566 9.103 -1.478 1.00 0.00 C ATOM 808 O ASN A 53 -6.662 9.044 -0.921 1.00 0.00 O ATOM 809 CB ASN A 53 -4.136 11.123 -1.404 1.00 0.00 C ATOM 810 CG ASN A 53 -3.723 12.148 -0.347 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.180 12.131 0.784 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.834 13.040 -0.777 1.00 0.00 N ATOM 0 H ASN A 53 -2.362 9.379 -1.238 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.562 9.870 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.361 11.049 -2.167 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.045 11.457 -1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.494 13.766 -0.147 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.492 12.997 -1.737 1.00 0.00 H new ATOM 819 N GLU A 54 -5.315 8.636 -2.692 1.00 0.00 N ATOM 820 CA GLU A 54 -6.357 7.997 -3.478 1.00 0.00 C ATOM 821 C GLU A 54 -7.016 6.874 -2.674 1.00 0.00 C ATOM 822 O GLU A 54 -8.220 6.652 -2.783 1.00 0.00 O ATOM 823 CB GLU A 54 -5.799 7.469 -4.801 1.00 0.00 C ATOM 824 CG GLU A 54 -5.150 8.594 -5.610 1.00 0.00 C ATOM 825 CD GLU A 54 -5.240 8.311 -7.111 1.00 0.00 C ATOM 826 OE1 GLU A 54 -6.105 7.489 -7.483 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.442 8.925 -7.853 1.00 0.00 O ATOM 0 H GLU A 54 -4.405 8.687 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.117 8.743 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.065 6.688 -4.604 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.601 7.014 -5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.642 9.540 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.105 8.701 -5.318 1.00 0.00 H new ATOM 834 N VAL A 55 -6.196 6.196 -1.884 1.00 0.00 N ATOM 835 CA VAL A 55 -6.684 5.102 -1.062 1.00 0.00 C ATOM 836 C VAL A 55 -6.623 5.510 0.412 1.00 0.00 C ATOM 837 O VAL A 55 -6.383 4.674 1.282 1.00 0.00 O ATOM 838 CB VAL A 55 -5.892 3.828 -1.363 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.656 2.923 -2.332 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.501 4.162 -1.905 1.00 0.00 C ATOM 0 H VAL A 55 -5.197 6.383 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.726 4.884 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.765 3.284 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.071 2.025 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.613 2.643 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.829 3.455 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.959 3.239 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.598 4.739 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.953 4.747 -1.166 1.00 0.00 H new ATOM 850 N ASP A 56 -6.843 6.795 0.646 1.00 0.00 N ATOM 851 CA ASP A 56 -6.816 7.324 1.999 1.00 0.00 C ATOM 852 C ASP A 56 -7.645 8.609 2.057 1.00 0.00 C ATOM 853 O ASP A 56 -7.158 9.682 1.704 1.00 0.00 O ATOM 854 CB ASP A 56 -5.387 7.664 2.429 1.00 0.00 C ATOM 855 CG ASP A 56 -5.278 8.705 3.545 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.599 8.339 4.696 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.876 9.843 3.221 1.00 0.00 O ATOM 0 H ASP A 56 -7.041 7.485 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.223 6.564 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.895 6.749 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.839 8.027 1.560 1.00 0.00 H new ATOM 862 N ALA A 57 -8.883 8.457 2.504 1.00 0.00 N ATOM 863 CA ALA A 57 -9.784 9.591 2.612 1.00 0.00 C ATOM 864 C ALA A 57 -9.704 10.168 4.027 1.00 0.00 C ATOM 865 O ALA A 57 -10.223 11.251 4.290 1.00 0.00 O ATOM 866 CB ALA A 57 -11.202 9.154 2.240 1.00 0.00 C ATOM 0 H ALA A 57 -9.283 7.565 2.796 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.493 10.379 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.878 10.005 2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.211 8.780 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.529 8.365 2.917 1.00 0.00 H new ATOM 872 N ASP A 58 -9.048 9.418 4.900 1.00 0.00 N ATOM 873 CA ASP A 58 -8.893 9.841 6.282 1.00 0.00 C ATOM 874 C ASP A 58 -7.792 10.900 6.366 1.00 0.00 C ATOM 875 O ASP A 58 -7.892 11.845 7.147 1.00 0.00 O ATOM 876 CB ASP A 58 -8.488 8.667 7.175 1.00 0.00 C ATOM 877 CG ASP A 58 -7.034 8.686 7.649 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.676 9.662 8.344 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.312 7.725 7.305 1.00 0.00 O ATOM 0 H ASP A 58 -8.618 8.520 4.678 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.849 10.240 6.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.139 8.654 8.049 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.665 7.739 6.632 1.00 0.00 H new ATOM 884 N GLY A 59 -6.766 10.708 5.549 1.00 0.00 N ATOM 885 CA GLY A 59 -5.648 11.635 5.521 1.00 0.00 C ATOM 886 C GLY A 59 -4.705 11.392 6.701 1.00 0.00 C ATOM 887 O GLY A 59 -4.106 12.330 7.226 1.00 0.00 O ATOM 0 H GLY A 59 -6.686 9.924 4.902 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.101 11.523 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.019 12.659 5.552 1.00 0.00 H new ATOM 891 N ASN A 60 -4.601 10.128 7.085 1.00 0.00 N ATOM 892 CA ASN A 60 -3.741 9.749 8.193 1.00 0.00 C ATOM 893 C ASN A 60 -2.289 9.703 7.713 1.00 0.00 C ATOM 894 O ASN A 60 -1.363 9.786 8.518 1.00 0.00 O ATOM 895 CB ASN A 60 -4.108 8.363 8.726 1.00 0.00 C ATOM 896 CG ASN A 60 -3.855 7.285 7.670 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.687 7.559 6.494 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.838 6.047 8.155 1.00 0.00 N ATOM 0 H ASN A 60 -5.099 9.353 6.648 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.869 10.485 8.987 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.523 8.146 9.620 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.157 8.349 9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.677 5.257 7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.986 5.888 9.152 1.00 0.00 H new ATOM 905 N GLY A 61 -2.136 9.570 6.404 1.00 0.00 N ATOM 906 CA GLY A 61 -0.812 9.511 5.807 1.00 0.00 C ATOM 907 C GLY A 61 -0.445 8.075 5.429 1.00 0.00 C ATOM 908 O GLY A 61 0.328 7.853 4.498 1.00 0.00 O ATOM 0 H GLY A 61 -2.907 9.501 5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.781 10.144 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.076 9.906 6.507 1.00 0.00 H new ATOM 912 N THR A 62 -1.016 7.137 6.170 1.00 0.00 N ATOM 913 CA THR A 62 -0.758 5.729 5.924 1.00 0.00 C ATOM 914 C THR A 62 -1.974 5.070 5.270 1.00 0.00 C ATOM 915 O THR A 62 -3.042 5.674 5.187 1.00 0.00 O ATOM 916 CB THR A 62 -0.357 5.082 7.252 1.00 0.00 C ATOM 917 OG1 THR A 62 -1.592 4.917 7.944 1.00 0.00 O ATOM 918 CG2 THR A 62 0.446 6.029 8.146 1.00 0.00 C ATOM 0 H THR A 62 -1.657 7.325 6.941 1.00 0.00 H new ATOM 0 HA THR A 62 0.063 5.595 5.220 1.00 0.00 H new ATOM 0 HB THR A 62 0.229 4.184 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.745 3.965 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.705 5.521 9.075 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.358 6.330 7.631 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.152 6.912 8.370 1.00 0.00 H new ATOM 926 N ILE A 63 -1.771 3.840 4.822 1.00 0.00 N ATOM 927 CA ILE A 63 -2.837 3.092 4.178 1.00 0.00 C ATOM 928 C ILE A 63 -3.197 1.880 5.039 1.00 0.00 C ATOM 929 O ILE A 63 -2.315 1.212 5.577 1.00 0.00 O ATOM 930 CB ILE A 63 -2.448 2.733 2.742 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.339 3.988 1.873 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.419 1.709 2.151 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.538 4.108 0.931 1.00 0.00 C ATOM 0 H ILE A 63 -0.883 3.342 4.892 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.736 3.703 4.097 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.462 2.268 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.282 4.871 2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.417 3.953 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.120 1.471 1.130 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.403 0.802 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.427 2.124 2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.436 5.008 0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.578 3.235 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.456 4.167 1.516 1.00 0.00 H new ATOM 945 N ASP A 64 -4.495 1.633 5.144 1.00 0.00 N ATOM 946 CA ASP A 64 -4.982 0.513 5.931 1.00 0.00 C ATOM 947 C ASP A 64 -5.473 -0.590 4.991 1.00 0.00 C ATOM 948 O ASP A 64 -5.243 -0.529 3.784 1.00 0.00 O ATOM 949 CB ASP A 64 -6.155 0.933 6.819 1.00 0.00 C ATOM 950 CG ASP A 64 -5.879 2.130 7.731 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.770 2.694 7.608 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.783 2.455 8.531 1.00 0.00 O ATOM 0 H ASP A 64 -5.224 2.189 4.697 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.163 0.160 6.558 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.007 1.170 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.446 0.084 7.437 1.00 0.00 H new ATOM 957 N PHE A 65 -6.139 -1.572 5.580 1.00 0.00 N ATOM 958 CA PHE A 65 -6.663 -2.687 4.810 1.00 0.00 C ATOM 959 C PHE A 65 -7.961 -2.300 4.099 1.00 0.00 C ATOM 960 O PHE A 65 -8.149 -2.617 2.925 1.00 0.00 O ATOM 961 CB PHE A 65 -6.955 -3.816 5.800 1.00 0.00 C ATOM 962 CG PHE A 65 -7.277 -5.158 5.138 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.529 -5.594 4.089 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.310 -5.913 5.598 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.827 -6.839 3.474 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.607 -7.158 4.983 1.00 0.00 C ATOM 967 CZ PHE A 65 -7.860 -7.595 3.934 1.00 0.00 C ATOM 0 H PHE A 65 -6.328 -1.619 6.581 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.940 -2.988 4.051 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.093 -3.943 6.455 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.794 -3.524 6.431 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.709 -4.994 3.724 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.904 -5.566 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.233 -7.186 2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.427 -7.758 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.087 -8.542 3.466 1.00 0.00 H new ATOM 977 N PRO A 66 -8.847 -1.602 4.859 1.00 0.00 N ATOM 978 CA PRO A 66 -10.122 -1.168 4.314 1.00 0.00 C ATOM 979 C PRO A 66 -9.939 0.023 3.372 1.00 0.00 C ATOM 980 O PRO A 66 -10.849 0.371 2.621 1.00 0.00 O ATOM 981 CB PRO A 66 -10.978 -0.841 5.527 1.00 0.00 C ATOM 982 CG PRO A 66 -10.008 -0.657 6.683 1.00 0.00 C ATOM 983 CD PRO A 66 -8.659 -1.209 6.252 1.00 0.00 C ATOM 0 HA PRO A 66 -10.599 -1.933 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.563 0.063 5.360 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.685 -1.644 5.734 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.923 0.397 6.946 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.368 -1.178 7.570 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.875 -0.458 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.364 -2.059 6.867 1.00 0.00 H new ATOM 991 N GLU A 67 -8.756 0.616 3.442 1.00 0.00 N ATOM 992 CA GLU A 67 -8.442 1.761 2.605 1.00 0.00 C ATOM 993 C GLU A 67 -7.719 1.308 1.335 1.00 0.00 C ATOM 994 O GLU A 67 -7.763 1.992 0.314 1.00 0.00 O ATOM 995 CB GLU A 67 -7.609 2.789 3.373 1.00 0.00 C ATOM 996 CG GLU A 67 -8.164 3.001 4.783 1.00 0.00 C ATOM 997 CD GLU A 67 -7.102 3.607 5.704 1.00 0.00 C ATOM 998 OE1 GLU A 67 -5.934 3.666 5.263 1.00 0.00 O ATOM 999 OE2 GLU A 67 -7.484 3.998 6.828 1.00 0.00 O ATOM 0 H GLU A 67 -8.003 0.325 4.066 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.376 2.242 2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.574 2.452 3.432 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.606 3.736 2.833 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.032 3.658 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.504 2.049 5.191 1.00 0.00 H new ATOM 1006 N PHE A 68 -7.070 0.157 1.440 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.338 -0.395 0.313 1.00 0.00 C ATOM 1008 C PHE A 68 -7.210 -1.369 -0.482 1.00 0.00 C ATOM 1009 O PHE A 68 -7.109 -1.442 -1.706 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.140 -1.154 0.886 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.689 -2.341 0.033 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -3.773 -2.159 -0.956 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -5.204 -3.579 0.264 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -3.355 -3.261 -1.748 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -4.785 -4.681 -0.528 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.869 -4.499 -1.517 1.00 0.00 C ATOM 0 H PHE A 68 -7.036 -0.408 2.288 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.029 0.406 -0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.305 -0.463 0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.394 -1.512 1.884 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.364 -1.176 -1.139 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.931 -3.724 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.629 -3.116 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.194 -5.664 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.550 -5.337 -2.119 1.00 0.00 H new ATOM 1026 N LEU A 69 -8.048 -2.093 0.246 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.937 -3.060 -0.376 1.00 0.00 C ATOM 1028 C LEU A 69 -9.519 -2.460 -1.658 1.00 0.00 C ATOM 1029 O LEU A 69 -9.675 -3.157 -2.659 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.999 -3.530 0.620 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.585 -4.670 1.553 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.435 -4.673 2.825 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.633 -6.016 0.828 1.00 0.00 C ATOM 0 H LEU A 69 -8.130 -2.029 1.261 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.385 -3.955 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.299 -2.678 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.879 -3.846 0.060 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.551 -4.505 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.120 -5.493 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.306 -3.727 3.351 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.485 -4.801 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.334 -6.809 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.647 -6.204 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.952 -5.996 -0.023 1.00 0.00 H new ATOM 1045 N THR A 70 -9.824 -1.172 -1.585 1.00 0.00 N ATOM 1046 CA THR A 70 -10.386 -0.471 -2.726 1.00 0.00 C ATOM 1047 C THR A 70 -9.439 -0.559 -3.925 1.00 0.00 C ATOM 1048 O THR A 70 -9.872 -0.831 -5.044 1.00 0.00 O ATOM 1049 CB THR A 70 -10.689 0.966 -2.296 1.00 0.00 C ATOM 1050 OG1 THR A 70 -11.007 1.633 -3.514 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.447 1.698 -1.783 1.00 0.00 C ATOM 0 H THR A 70 -9.692 -0.596 -0.753 1.00 0.00 H new ATOM 0 HA THR A 70 -11.318 -0.931 -3.053 1.00 0.00 H new ATOM 0 HB THR A 70 -11.453 0.959 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.218 2.572 -3.327 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.717 2.713 -1.491 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.043 1.168 -0.921 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.695 1.735 -2.571 1.00 0.00 H new ATOM 1059 N MET A 71 -8.164 -0.324 -3.650 1.00 0.00 N ATOM 1060 CA MET A 71 -7.153 -0.374 -4.692 1.00 0.00 C ATOM 1061 C MET A 71 -7.318 -1.624 -5.558 1.00 0.00 C ATOM 1062 O MET A 71 -7.356 -1.533 -6.784 1.00 0.00 O ATOM 1063 CB MET A 71 -5.762 -0.375 -4.053 1.00 0.00 C ATOM 1064 CG MET A 71 -4.864 0.686 -4.693 1.00 0.00 C ATOM 1065 SD MET A 71 -3.401 -0.080 -5.370 1.00 0.00 S ATOM 1066 CE MET A 71 -3.403 0.639 -7.004 1.00 0.00 C ATOM 0 H MET A 71 -7.808 -0.099 -2.721 1.00 0.00 H new ATOM 0 HA MET A 71 -7.270 0.503 -5.328 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.849 -0.186 -2.983 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.306 -1.359 -4.166 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.408 1.208 -5.480 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.583 1.433 -3.950 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.548 0.265 -7.567 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.324 0.368 -7.520 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.338 1.724 -6.924 1.00 0.00 H new ATOM 1076 N MET A 72 -7.413 -2.762 -4.886 1.00 0.00 N ATOM 1077 CA MET A 72 -7.574 -4.029 -5.579 1.00 0.00 C ATOM 1078 C MET A 72 -8.870 -4.049 -6.392 1.00 0.00 C ATOM 1079 O MET A 72 -8.884 -4.501 -7.535 1.00 0.00 O ATOM 1080 CB MET A 72 -7.592 -5.170 -4.560 1.00 0.00 C ATOM 1081 CG MET A 72 -6.277 -5.231 -3.781 1.00 0.00 C ATOM 1082 SD MET A 72 -5.441 -6.772 -4.114 1.00 0.00 S ATOM 1083 CE MET A 72 -4.131 -6.192 -5.178 1.00 0.00 C ATOM 0 H MET A 72 -7.382 -2.833 -3.869 1.00 0.00 H new ATOM 0 HA MET A 72 -6.736 -4.156 -6.264 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.423 -5.031 -3.868 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.759 -6.117 -5.073 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.639 -4.393 -4.063 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.473 -5.138 -2.713 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.509 -7.034 -5.481 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.562 -5.722 -6.062 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.521 -5.465 -4.641 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.929 -3.553 -5.768 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.228 -3.508 -6.419 1.00 0.00 C ATOM 1095 C ALA A 73 -11.083 -2.845 -7.790 1.00 0.00 C ATOM 1096 O ALA A 73 -11.630 -3.331 -8.779 1.00 0.00 O ATOM 1097 CB ALA A 73 -12.225 -2.775 -5.519 1.00 0.00 C ATOM 0 H ALA A 73 -9.914 -3.179 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.613 -4.515 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.199 -2.741 -6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.313 -3.302 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.874 -1.759 -5.339 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.345 -1.745 -7.806 1.00 0.00 N ATOM 1104 CA ARG A 74 -10.122 -1.011 -9.039 1.00 0.00 C ATOM 1105 C ARG A 74 -8.774 -1.397 -9.651 1.00 0.00 C ATOM 1106 O ARG A 74 -7.983 -0.530 -10.017 1.00 0.00 O ATOM 1107 CB ARG A 74 -10.148 0.499 -8.794 1.00 0.00 C ATOM 1108 CG ARG A 74 -11.576 1.044 -8.878 1.00 0.00 C ATOM 1109 CD ARG A 74 -11.882 1.965 -7.695 1.00 0.00 C ATOM 1110 NE ARG A 74 -10.925 3.094 -7.672 1.00 0.00 N ATOM 1111 CZ ARG A 74 -10.956 4.122 -8.530 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -11.896 4.171 -9.484 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -10.048 5.103 -8.435 1.00 0.00 N ATOM 0 H ARG A 74 -9.894 -1.344 -6.984 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.926 -1.270 -9.728 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.728 0.719 -7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.519 1.001 -9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.706 1.591 -9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.285 0.216 -8.892 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -12.901 2.343 -7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.819 1.405 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.196 3.089 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.588 3.425 -9.557 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.919 4.954 -10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.333 5.067 -7.709 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.072 5.885 -9.089 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.554 -2.701 -9.744 1.00 0.00 N ATOM 1128 CA LYS A 75 -7.316 -3.213 -10.305 1.00 0.00 C ATOM 1129 C LYS A 75 -7.048 -2.530 -11.647 1.00 0.00 C ATOM 1130 O LYS A 75 -7.841 -1.703 -12.096 1.00 0.00 O ATOM 1131 CB LYS A 75 -7.357 -4.740 -10.390 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.495 -5.373 -9.295 1.00 0.00 C ATOM 1133 CD LYS A 75 -6.696 -6.889 -9.248 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.653 -7.608 -10.105 1.00 0.00 C ATOM 1135 NZ LYS A 75 -6.063 -9.008 -10.356 1.00 0.00 N ATOM 1136 OXT LYS A 75 -5.929 -2.900 -12.251 1.00 0.00 O ATOM 0 H LYS A 75 -9.213 -3.418 -9.440 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.476 -2.975 -9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.386 -5.086 -10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.003 -5.063 -11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.444 -5.147 -9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.751 -4.938 -8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.627 -7.237 -8.217 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.696 -7.138 -9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.529 -7.084 -11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.686 -7.591 -9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.344 -9.481 -10.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.159 -9.509 -9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.975 -9.018 -10.856 1.00 0.00 H new