USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 636 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 57 GLN : amide:sc= -1.06 K(o=-8.3,f=-10!) USER MOD Set 1.2: A 62 CYS SG : rot 100:sc= -7.28! USER MOD Set 2.1: A 54 SER OG : rot 147:sc= 0.184 USER MOD Set 2.2: A 65 GLN : amide:sc= 0.0429 K(o=0.23,f=-1) USER MOD Set 3.1: A 30 CYS SG : rot 125:sc= 0.715 USER MOD Set 3.2: A 79 CYS SG : rot 106:sc= 0.0833 USER MOD Set 4.1: A 9 SER OG : rot 141:sc= 1.15 USER MOD Set 4.2: A 81 CYS SG : rot -9:sc= 1.13 USER MOD Single : A 10 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.482) USER MOD Single : A 17 ASN : amide:sc= -0.164 K(o=-0.16,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.226) USER MOD Single : A 44 HIS : no HE2:sc= 0.0994 K(o=0.099,f=-0.6) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -29:sc= 0.275 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0607 K(o=-0.061,f=-1.3!) USER MOD Single : A 86 THR OG1 : rot 140:sc= -0.256 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 9 -1.718 20.976 -0.042 1.00 0.00 N ATOM 81 CA SER A 9 -1.166 19.691 0.369 1.00 0.00 C ATOM 82 C SER A 9 -0.585 18.942 -0.827 1.00 0.00 C ATOM 83 O SER A 9 -1.165 18.937 -1.913 1.00 0.00 O ATOM 84 CB SER A 9 -2.244 18.841 1.043 1.00 0.00 C ATOM 85 OG SER A 9 -3.334 18.610 0.166 1.00 0.00 O ATOM 0 HA SER A 9 -0.364 19.879 1.082 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.817 17.888 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.598 19.343 1.943 1.00 0.00 H new ATOM 0 HG SER A 9 -3.657 17.692 0.281 1.00 0.00 H new ATOM 91 N LYS A 10 0.564 18.309 -0.619 1.00 0.00 N ATOM 92 CA LYS A 10 1.225 17.554 -1.678 1.00 0.00 C ATOM 93 C LYS A 10 2.135 16.479 -1.092 1.00 0.00 C ATOM 94 O LYS A 10 3.050 16.777 -0.324 1.00 0.00 O ATOM 95 CB LYS A 10 2.038 18.494 -2.571 1.00 0.00 C ATOM 96 CG LYS A 10 1.183 19.455 -3.380 1.00 0.00 C ATOM 97 CD LYS A 10 1.997 20.158 -4.453 1.00 0.00 C ATOM 98 CE LYS A 10 2.664 21.414 -3.912 1.00 0.00 C ATOM 99 NZ LYS A 10 4.009 21.127 -3.342 1.00 0.00 N ATOM 0 H LYS A 10 1.058 18.303 0.274 1.00 0.00 H new ATOM 0 HA LYS A 10 0.456 17.067 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.726 19.068 -1.950 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.645 17.899 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.361 18.910 -3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.739 20.196 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.757 19.478 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.349 20.420 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.758 22.148 -4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.032 21.859 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.603 21.979 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.911 20.849 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.454 20.353 -3.875 1.00 0.00 H new ATOM 113 N PHE A 11 1.879 15.228 -1.462 1.00 0.00 N ATOM 114 CA PHE A 11 2.676 14.109 -0.974 1.00 0.00 C ATOM 115 C PHE A 11 4.166 14.372 -1.176 1.00 0.00 C ATOM 116 O PHE A 11 4.602 14.715 -2.275 1.00 0.00 O ATOM 117 CB PHE A 11 2.273 12.818 -1.690 1.00 0.00 C ATOM 118 CG PHE A 11 0.793 12.564 -1.679 1.00 0.00 C ATOM 119 CD1 PHE A 11 0.185 11.978 -0.580 1.00 0.00 C ATOM 120 CD2 PHE A 11 0.009 12.910 -2.768 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.177 11.743 -0.567 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.353 12.678 -2.760 1.00 0.00 C ATOM 123 CZ PHE A 11 -1.947 12.092 -1.659 1.00 0.00 C ATOM 0 H PHE A 11 1.126 14.964 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 11 2.486 13.999 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.618 12.862 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.782 11.977 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.782 11.702 0.276 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.468 13.366 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.639 11.287 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.953 12.955 -3.614 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.011 11.907 -1.652 1.00 0.00 H new ATOM 133 N ILE A 12 4.939 14.210 -0.108 1.00 0.00 N ATOM 134 CA ILE A 12 6.379 14.430 -0.168 1.00 0.00 C ATOM 135 C ILE A 12 7.114 13.152 -0.559 1.00 0.00 C ATOM 136 O ILE A 12 7.967 13.163 -1.445 1.00 0.00 O ATOM 137 CB ILE A 12 6.928 14.933 1.180 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.865 15.751 1.916 1.00 0.00 C ATOM 139 CG2 ILE A 12 8.186 15.761 0.964 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.349 16.928 1.118 1.00 0.00 C ATOM 0 H ILE A 12 4.593 13.927 0.809 1.00 0.00 H new ATOM 0 HA ILE A 12 6.551 15.192 -0.928 1.00 0.00 H new ATOM 0 HB ILE A 12 7.185 14.071 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.029 15.100 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.283 16.114 2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.562 16.109 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.945 15.149 0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.953 16.619 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.599 17.462 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.175 17.600 0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.901 16.571 0.191 1.00 0.00 H new ATOM 152 N GLU A 13 6.775 12.053 0.108 1.00 0.00 N ATOM 153 CA GLU A 13 7.403 10.767 -0.172 1.00 0.00 C ATOM 154 C GLU A 13 6.640 10.014 -1.258 1.00 0.00 C ATOM 155 O GLU A 13 7.218 9.223 -2.002 1.00 0.00 O ATOM 156 CB GLU A 13 7.469 9.920 1.101 1.00 0.00 C ATOM 157 CG GLU A 13 8.641 8.953 1.128 1.00 0.00 C ATOM 158 CD GLU A 13 8.886 8.296 -0.217 1.00 0.00 C ATOM 159 OE1 GLU A 13 8.103 7.395 -0.587 1.00 0.00 O ATOM 160 OE2 GLU A 13 9.859 8.681 -0.898 1.00 0.00 O ATOM 0 H GLU A 13 6.070 12.027 0.845 1.00 0.00 H new ATOM 0 HA GLU A 13 8.416 10.955 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.535 10.582 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.541 9.356 1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.540 9.486 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.454 8.182 1.876 1.00 0.00 H new ATOM 167 N GLY A 14 5.338 10.267 -1.342 1.00 0.00 N ATOM 168 CA GLY A 14 4.517 9.605 -2.339 1.00 0.00 C ATOM 169 C GLY A 14 4.488 8.100 -2.161 1.00 0.00 C ATOM 170 O GLY A 14 5.456 7.506 -1.682 1.00 0.00 O ATOM 0 H GLY A 14 4.837 10.918 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.500 9.994 -2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.896 9.843 -3.333 1.00 0.00 H new ATOM 174 N LEU A 15 3.377 7.481 -2.544 1.00 0.00 N ATOM 175 CA LEU A 15 3.226 6.035 -2.423 1.00 0.00 C ATOM 176 C LEU A 15 4.219 5.306 -3.323 1.00 0.00 C ATOM 177 O LEU A 15 4.465 5.721 -4.456 1.00 0.00 O ATOM 178 CB LEU A 15 1.797 5.620 -2.779 1.00 0.00 C ATOM 179 CG LEU A 15 0.705 6.076 -1.811 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.673 5.821 -2.403 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.851 5.370 -0.471 1.00 0.00 C ATOM 0 H LEU A 15 2.567 7.958 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 15 3.431 5.759 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.563 6.010 -3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.762 4.533 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 15 0.815 7.148 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.438 6.152 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.776 6.373 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.794 4.755 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.065 5.707 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.768 4.293 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.825 5.604 -0.041 1.00 0.00 H new ATOM 193 N ARG A 16 4.784 4.218 -2.812 1.00 0.00 N ATOM 194 CA ARG A 16 5.749 3.430 -3.570 1.00 0.00 C ATOM 195 C ARG A 16 5.236 2.012 -3.796 1.00 0.00 C ATOM 196 O ARG A 16 4.315 1.559 -3.117 1.00 0.00 O ATOM 197 CB ARG A 16 7.092 3.387 -2.837 1.00 0.00 C ATOM 198 CG ARG A 16 7.020 2.724 -1.472 1.00 0.00 C ATOM 199 CD ARG A 16 7.274 1.228 -1.565 1.00 0.00 C ATOM 200 NE ARG A 16 8.685 0.926 -1.789 1.00 0.00 N ATOM 201 CZ ARG A 16 9.613 1.000 -0.841 1.00 0.00 C ATOM 202 NH1 ARG A 16 9.279 1.364 0.390 1.00 0.00 N ATOM 203 NH2 ARG A 16 10.876 0.709 -1.122 1.00 0.00 N ATOM 0 H ARG A 16 4.591 3.861 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 16 5.887 3.907 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.816 2.853 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.464 4.405 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.754 3.178 -0.807 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.039 2.901 -1.032 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.942 0.746 -0.646 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.680 0.809 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 16 8.974 0.643 -2.725 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.308 1.588 0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.993 1.420 1.117 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.136 0.428 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.587 0.766 -0.393 1.00 0.00 H new ATOM 217 N ASN A 17 5.837 1.316 -4.755 1.00 0.00 N ATOM 218 CA ASN A 17 5.439 -0.051 -5.072 1.00 0.00 C ATOM 219 C ASN A 17 5.498 -0.936 -3.831 1.00 0.00 C ATOM 220 O ASN A 17 6.577 -1.322 -3.383 1.00 0.00 O ATOM 221 CB ASN A 17 6.342 -0.626 -6.166 1.00 0.00 C ATOM 222 CG ASN A 17 6.213 0.125 -7.476 1.00 0.00 C ATOM 223 OD1 ASN A 17 6.167 1.355 -7.498 1.00 0.00 O ATOM 224 ND2 ASN A 17 6.153 -0.614 -8.578 1.00 0.00 N ATOM 0 H ASN A 17 6.602 1.676 -5.326 1.00 0.00 H new ATOM 0 HA ASN A 17 4.411 -0.030 -5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.379 -0.593 -5.832 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.092 -1.675 -6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.065 -0.164 -9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.195 -1.631 -8.513 1.00 0.00 H new ATOM 231 N GLU A 18 4.330 -1.254 -3.281 1.00 0.00 N ATOM 232 CA GLU A 18 4.250 -2.093 -2.091 1.00 0.00 C ATOM 233 C GLU A 18 4.071 -3.560 -2.472 1.00 0.00 C ATOM 234 O GLU A 18 3.191 -3.904 -3.260 1.00 0.00 O ATOM 235 CB GLU A 18 3.092 -1.641 -1.199 1.00 0.00 C ATOM 236 CG GLU A 18 3.103 -2.277 0.181 1.00 0.00 C ATOM 237 CD GLU A 18 3.282 -3.782 0.129 1.00 0.00 C ATOM 238 OE1 GLU A 18 2.388 -4.466 -0.413 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.314 -4.275 0.629 1.00 0.00 O ATOM 0 H GLU A 18 3.427 -0.944 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 18 5.185 -1.990 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.130 -0.557 -1.091 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.150 -1.880 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.908 -1.840 0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.169 -2.044 0.692 1.00 0.00 H new ATOM 246 N GLU A 19 4.913 -4.419 -1.905 1.00 0.00 N ATOM 247 CA GLU A 19 4.848 -5.848 -2.186 1.00 0.00 C ATOM 248 C GLU A 19 4.600 -6.644 -0.908 1.00 0.00 C ATOM 249 O GLU A 19 5.386 -6.581 0.037 1.00 0.00 O ATOM 250 CB GLU A 19 6.145 -6.319 -2.849 1.00 0.00 C ATOM 251 CG GLU A 19 6.074 -7.740 -3.384 1.00 0.00 C ATOM 252 CD GLU A 19 7.430 -8.417 -3.422 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.100 -8.463 -2.370 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.819 -8.902 -4.505 1.00 0.00 O ATOM 0 H GLU A 19 5.647 -4.150 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 19 4.015 -6.020 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.391 -5.643 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.958 -6.252 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.397 -8.325 -2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.651 -7.725 -4.388 1.00 0.00 H new ATOM 261 N ALA A 20 3.501 -7.390 -0.886 1.00 0.00 N ATOM 262 CA ALA A 20 3.149 -8.199 0.274 1.00 0.00 C ATOM 263 C ALA A 20 2.678 -9.587 -0.146 1.00 0.00 C ATOM 264 O ALA A 20 2.468 -9.851 -1.330 1.00 0.00 O ATOM 265 CB ALA A 20 2.075 -7.502 1.097 1.00 0.00 C ATOM 0 H ALA A 20 2.838 -7.451 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 20 4.042 -8.318 0.887 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.822 -8.117 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.447 -6.536 1.437 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.186 -7.353 0.484 1.00 0.00 H new ATOM 271 N THR A 21 2.514 -10.473 0.832 1.00 0.00 N ATOM 272 CA THR A 21 2.070 -11.834 0.563 1.00 0.00 C ATOM 273 C THR A 21 0.587 -12.001 0.877 1.00 0.00 C ATOM 274 O THR A 21 0.129 -11.639 1.960 1.00 0.00 O ATOM 275 CB THR A 21 2.875 -12.860 1.384 1.00 0.00 C ATOM 276 OG1 THR A 21 4.277 -12.665 1.171 1.00 0.00 O ATOM 277 CG2 THR A 21 2.492 -14.281 0.999 1.00 0.00 C ATOM 0 H THR A 21 2.682 -10.271 1.818 1.00 0.00 H new ATOM 0 HA THR A 21 2.237 -12.017 -0.499 1.00 0.00 H new ATOM 0 HB THR A 21 2.643 -12.711 2.439 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.782 -13.320 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.073 -14.988 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.430 -14.436 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.698 -14.439 -0.060 1.00 0.00 H new ATOM 285 N GLU A 22 -0.156 -12.552 -0.078 1.00 0.00 N ATOM 286 CA GLU A 22 -1.588 -12.766 0.098 1.00 0.00 C ATOM 287 C GLU A 22 -1.910 -13.125 1.546 1.00 0.00 C ATOM 288 O GLU A 22 -1.103 -13.742 2.239 1.00 0.00 O ATOM 289 CB GLU A 22 -2.079 -13.875 -0.835 1.00 0.00 C ATOM 290 CG GLU A 22 -3.572 -14.139 -0.734 1.00 0.00 C ATOM 291 CD GLU A 22 -3.963 -15.495 -1.287 1.00 0.00 C ATOM 292 OE1 GLU A 22 -3.383 -16.507 -0.841 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.849 -15.545 -2.166 1.00 0.00 O ATOM 0 H GLU A 22 0.209 -12.858 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.102 -11.838 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.835 -13.608 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.540 -14.795 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.879 -14.074 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.112 -13.361 -1.274 1.00 0.00 H new ATOM 300 N GLY A 23 -3.098 -12.731 1.997 1.00 0.00 N ATOM 301 CA GLY A 23 -3.507 -13.019 3.359 1.00 0.00 C ATOM 302 C GLY A 23 -2.948 -12.022 4.355 1.00 0.00 C ATOM 303 O GLY A 23 -3.652 -11.581 5.264 1.00 0.00 O ATOM 0 H GLY A 23 -3.784 -12.218 1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.595 -13.015 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.178 -14.022 3.630 1.00 0.00 H new ATOM 307 N ASP A 24 -1.680 -11.666 4.185 1.00 0.00 N ATOM 308 CA ASP A 24 -1.027 -10.715 5.077 1.00 0.00 C ATOM 309 C ASP A 24 -1.794 -9.397 5.122 1.00 0.00 C ATOM 310 O ASP A 24 -2.874 -9.274 4.543 1.00 0.00 O ATOM 311 CB ASP A 24 0.413 -10.466 4.625 1.00 0.00 C ATOM 312 CG ASP A 24 1.314 -10.043 5.769 1.00 0.00 C ATOM 313 OD1 ASP A 24 1.600 -10.889 6.643 1.00 0.00 O ATOM 314 OD2 ASP A 24 1.734 -8.868 5.790 1.00 0.00 O ATOM 0 H ASP A 24 -1.084 -12.021 3.438 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.017 -11.143 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.810 -11.374 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.421 -9.694 3.856 1.00 0.00 H new ATOM 319 N THR A 25 -1.230 -8.413 5.815 1.00 0.00 N ATOM 320 CA THR A 25 -1.861 -7.105 5.938 1.00 0.00 C ATOM 321 C THR A 25 -0.976 -6.010 5.353 1.00 0.00 C ATOM 322 O THR A 25 -0.022 -5.564 5.989 1.00 0.00 O ATOM 323 CB THR A 25 -2.172 -6.767 7.408 1.00 0.00 C ATOM 324 OG1 THR A 25 -2.933 -7.825 8.003 1.00 0.00 O ATOM 325 CG2 THR A 25 -2.944 -5.460 7.512 1.00 0.00 C ATOM 0 H THR A 25 -0.337 -8.497 6.300 1.00 0.00 H new ATOM 0 HA THR A 25 -2.795 -7.151 5.378 1.00 0.00 H new ATOM 0 HB THR A 25 -1.227 -6.655 7.940 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.125 -7.604 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.152 -5.243 8.560 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.350 -4.652 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.883 -5.548 6.966 1.00 0.00 H new ATOM 333 N ALA A 26 -1.300 -5.580 4.138 1.00 0.00 N ATOM 334 CA ALA A 26 -0.535 -4.535 3.469 1.00 0.00 C ATOM 335 C ALA A 26 -0.729 -3.187 4.156 1.00 0.00 C ATOM 336 O ALA A 26 -1.854 -2.792 4.465 1.00 0.00 O ATOM 337 CB ALA A 26 -0.935 -4.444 2.003 1.00 0.00 C ATOM 0 H ALA A 26 -2.087 -5.939 3.597 1.00 0.00 H new ATOM 0 HA ALA A 26 0.521 -4.797 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.356 -3.660 1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.739 -5.397 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.997 -4.210 1.929 1.00 0.00 H new ATOM 343 N THR A 27 0.374 -2.485 4.394 1.00 0.00 N ATOM 344 CA THR A 27 0.326 -1.183 5.047 1.00 0.00 C ATOM 345 C THR A 27 1.020 -0.120 4.204 1.00 0.00 C ATOM 346 O THR A 27 2.225 -0.195 3.960 1.00 0.00 O ATOM 347 CB THR A 27 0.983 -1.228 6.439 1.00 0.00 C ATOM 348 OG1 THR A 27 0.334 -2.209 7.255 1.00 0.00 O ATOM 349 CG2 THR A 27 0.908 0.132 7.117 1.00 0.00 C ATOM 0 H THR A 27 1.312 -2.797 4.144 1.00 0.00 H new ATOM 0 HA THR A 27 -0.727 -0.924 5.159 1.00 0.00 H new ATOM 0 HB THR A 27 2.032 -1.496 6.313 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.759 -2.233 8.138 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.378 0.076 8.099 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.428 0.871 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.136 0.425 7.231 1.00 0.00 H new ATOM 357 N LEU A 28 0.254 0.871 3.762 1.00 0.00 N ATOM 358 CA LEU A 28 0.796 1.952 2.946 1.00 0.00 C ATOM 359 C LEU A 28 0.787 3.271 3.713 1.00 0.00 C ATOM 360 O LEU A 28 -0.112 3.528 4.514 1.00 0.00 O ATOM 361 CB LEU A 28 -0.009 2.096 1.653 1.00 0.00 C ATOM 362 CG LEU A 28 0.197 0.997 0.609 1.00 0.00 C ATOM 363 CD1 LEU A 28 -1.066 0.800 -0.214 1.00 0.00 C ATOM 364 CD2 LEU A 28 1.376 1.332 -0.292 1.00 0.00 C ATOM 0 H LEU A 28 -0.745 0.949 3.955 1.00 0.00 H new ATOM 0 HA LEU A 28 1.828 1.704 2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.068 2.132 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.241 3.054 1.197 1.00 0.00 H new ATOM 0 HG LEU A 28 0.416 0.065 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.901 0.015 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.887 0.514 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.316 1.730 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.508 0.539 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.186 2.275 -0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.280 1.422 0.310 1.00 0.00 H new ATOM 376 N TRP A 29 1.791 4.103 3.461 1.00 0.00 N ATOM 377 CA TRP A 29 1.896 5.397 4.126 1.00 0.00 C ATOM 378 C TRP A 29 2.407 6.463 3.164 1.00 0.00 C ATOM 379 O TRP A 29 3.131 6.161 2.214 1.00 0.00 O ATOM 380 CB TRP A 29 2.826 5.296 5.336 1.00 0.00 C ATOM 381 CG TRP A 29 4.277 5.222 4.966 1.00 0.00 C ATOM 382 CD1 TRP A 29 5.026 4.091 4.811 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.153 6.325 4.708 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.315 4.424 4.471 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.418 5.788 4.401 1.00 0.00 C ATOM 386 CE3 TRP A 29 4.990 7.713 4.704 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.513 6.592 4.095 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.078 8.509 4.400 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.326 7.948 4.098 1.00 0.00 C ATOM 0 H TRP A 29 2.544 3.905 2.802 1.00 0.00 H new ATOM 0 HA TRP A 29 0.901 5.687 4.464 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.667 6.160 5.981 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.561 4.412 5.916 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.659 3.083 4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.072 3.763 4.299 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.032 8.155 4.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.476 6.161 3.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.964 9.583 4.395 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.156 8.598 3.863 1.00 0.00 H new ATOM 400 N CYS A 30 2.028 7.711 3.415 1.00 0.00 N ATOM 401 CA CYS A 30 2.448 8.823 2.570 1.00 0.00 C ATOM 402 C CYS A 30 2.550 10.112 3.379 1.00 0.00 C ATOM 403 O CYS A 30 1.685 10.411 4.201 1.00 0.00 O ATOM 404 CB CYS A 30 1.466 9.010 1.412 1.00 0.00 C ATOM 405 SG CYS A 30 -0.099 9.781 1.888 1.00 0.00 S ATOM 0 H CYS A 30 1.430 7.978 4.197 1.00 0.00 H new ATOM 0 HA CYS A 30 3.433 8.589 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.940 9.620 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.259 8.038 0.965 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.303 10.836 1.156 1.00 0.00 H new ATOM 411 N GLU A 31 3.616 10.871 3.141 1.00 0.00 N ATOM 412 CA GLU A 31 3.832 12.127 3.849 1.00 0.00 C ATOM 413 C GLU A 31 2.992 13.246 3.242 1.00 0.00 C ATOM 414 O GLU A 31 2.469 13.115 2.134 1.00 0.00 O ATOM 415 CB GLU A 31 5.313 12.509 3.814 1.00 0.00 C ATOM 416 CG GLU A 31 5.667 13.662 4.740 1.00 0.00 C ATOM 417 CD GLU A 31 7.114 13.625 5.191 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.992 13.355 4.345 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.368 13.866 6.389 1.00 0.00 O ATOM 0 H GLU A 31 4.342 10.638 2.464 1.00 0.00 H new ATOM 0 HA GLU A 31 3.524 11.988 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.910 11.639 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.586 12.777 2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.473 14.605 4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.017 13.633 5.614 1.00 0.00 H new ATOM 426 N LEU A 32 2.866 14.348 3.974 1.00 0.00 N ATOM 427 CA LEU A 32 2.089 15.491 3.509 1.00 0.00 C ATOM 428 C LEU A 32 2.765 16.803 3.896 1.00 0.00 C ATOM 429 O LEU A 32 3.239 16.960 5.021 1.00 0.00 O ATOM 430 CB LEU A 32 0.675 15.442 4.089 1.00 0.00 C ATOM 431 CG LEU A 32 -0.412 16.136 3.268 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.552 15.478 1.904 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.739 16.113 4.012 1.00 0.00 C ATOM 0 H LEU A 32 3.292 14.474 4.892 1.00 0.00 H new ATOM 0 HA LEU A 32 2.031 15.441 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.393 14.397 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.695 15.892 5.082 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.120 17.176 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.330 15.985 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.394 15.547 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.821 14.429 2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.501 16.611 3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.037 15.080 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.631 16.631 4.965 1.00 0.00 H new ATOM 445 N SER A 33 2.805 17.742 2.957 1.00 0.00 N ATOM 446 CA SER A 33 3.424 19.040 3.199 1.00 0.00 C ATOM 447 C SER A 33 2.564 19.887 4.133 1.00 0.00 C ATOM 448 O SER A 33 3.019 20.895 4.672 1.00 0.00 O ATOM 449 CB SER A 33 3.642 19.780 1.878 1.00 0.00 C ATOM 450 OG SER A 33 2.406 20.143 1.286 1.00 0.00 O ATOM 0 H SER A 33 2.416 17.628 2.021 1.00 0.00 H new ATOM 0 HA SER A 33 4.389 18.870 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.241 20.674 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.205 19.147 1.192 1.00 0.00 H new ATOM 0 HG SER A 33 2.573 20.616 0.444 1.00 0.00 H new ATOM 456 N LYS A 34 1.316 19.468 4.319 1.00 0.00 N ATOM 457 CA LYS A 34 0.390 20.185 5.188 1.00 0.00 C ATOM 458 C LYS A 34 -0.746 19.274 5.642 1.00 0.00 C ATOM 459 O LYS A 34 -1.495 18.745 4.821 1.00 0.00 O ATOM 460 CB LYS A 34 -0.180 21.406 4.463 1.00 0.00 C ATOM 461 CG LYS A 34 -1.297 21.069 3.490 1.00 0.00 C ATOM 462 CD LYS A 34 -2.658 21.125 4.163 1.00 0.00 C ATOM 463 CE LYS A 34 -3.110 22.560 4.389 1.00 0.00 C ATOM 464 NZ LYS A 34 -4.584 22.654 4.577 1.00 0.00 N ATOM 0 H LYS A 34 0.923 18.636 3.879 1.00 0.00 H new ATOM 0 HA LYS A 34 0.940 20.517 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.554 22.115 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.624 21.905 3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.275 21.767 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.134 20.073 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.391 20.604 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.615 20.601 5.118 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.605 22.966 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.813 23.173 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.852 23.647 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.066 22.290 3.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.865 22.090 5.404 1.00 0.00 H new ATOM 478 N ALA A 35 -0.868 19.096 6.953 1.00 0.00 N ATOM 479 CA ALA A 35 -1.915 18.252 7.516 1.00 0.00 C ATOM 480 C ALA A 35 -3.244 18.479 6.805 1.00 0.00 C ATOM 481 O ALA A 35 -3.748 19.601 6.754 1.00 0.00 O ATOM 482 CB ALA A 35 -2.060 18.515 9.007 1.00 0.00 C ATOM 0 H ALA A 35 -0.254 19.525 7.646 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.627 17.211 7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.845 17.878 9.414 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.118 18.295 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.321 19.561 9.168 1.00 0.00 H new ATOM 488 N ALA A 36 -3.807 17.408 6.256 1.00 0.00 N ATOM 489 CA ALA A 36 -5.079 17.491 5.549 1.00 0.00 C ATOM 490 C ALA A 36 -5.714 16.112 5.399 1.00 0.00 C ATOM 491 O ALA A 36 -5.031 15.089 5.356 1.00 0.00 O ATOM 492 CB ALA A 36 -4.883 18.135 4.184 1.00 0.00 C ATOM 0 H ALA A 36 -3.402 16.472 6.287 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.754 18.112 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.841 18.191 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.480 19.140 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.187 17.536 3.596 1.00 0.00 H new ATOM 498 N PRO A 37 -7.053 16.083 5.317 1.00 0.00 N ATOM 499 CA PRO A 37 -7.809 14.836 5.170 1.00 0.00 C ATOM 500 C PRO A 37 -7.614 14.197 3.800 1.00 0.00 C ATOM 501 O PRO A 37 -8.099 14.708 2.790 1.00 0.00 O ATOM 502 CB PRO A 37 -9.263 15.280 5.351 1.00 0.00 C ATOM 503 CG PRO A 37 -9.272 16.717 4.958 1.00 0.00 C ATOM 504 CD PRO A 37 -7.931 17.264 5.360 1.00 0.00 C ATOM 0 HA PRO A 37 -7.488 14.078 5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.937 14.694 4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.591 15.150 6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.433 16.827 3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.078 17.253 5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.593 18.041 4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.960 17.707 6.355 1.00 0.00 H new ATOM 512 N VAL A 38 -6.900 13.075 3.771 1.00 0.00 N ATOM 513 CA VAL A 38 -6.642 12.365 2.524 1.00 0.00 C ATOM 514 C VAL A 38 -7.654 11.245 2.310 1.00 0.00 C ATOM 515 O VAL A 38 -8.226 10.721 3.265 1.00 0.00 O ATOM 516 CB VAL A 38 -5.222 11.769 2.502 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.180 12.868 2.647 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.065 10.726 3.597 1.00 0.00 C ATOM 0 H VAL A 38 -6.490 12.639 4.597 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.735 13.094 1.719 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.067 11.279 1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.183 12.428 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.280 13.575 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.330 13.389 3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.056 10.316 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.239 11.189 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.787 9.925 3.442 1.00 0.00 H new ATOM 528 N GLU A 39 -7.870 10.884 1.049 1.00 0.00 N ATOM 529 CA GLU A 39 -8.815 9.826 0.709 1.00 0.00 C ATOM 530 C GLU A 39 -8.129 8.720 -0.089 1.00 0.00 C ATOM 531 O GLU A 39 -7.399 8.990 -1.042 1.00 0.00 O ATOM 532 CB GLU A 39 -9.987 10.396 -0.092 1.00 0.00 C ATOM 533 CG GLU A 39 -11.051 9.366 -0.430 1.00 0.00 C ATOM 534 CD GLU A 39 -12.129 9.269 0.632 1.00 0.00 C ATOM 535 OE1 GLU A 39 -11.918 8.540 1.625 1.00 0.00 O ATOM 536 OE2 GLU A 39 -13.181 9.921 0.471 1.00 0.00 O ATOM 0 H GLU A 39 -7.404 11.308 0.247 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.193 9.399 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.445 11.206 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.607 10.830 -1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.509 9.623 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.580 8.391 -0.555 1.00 0.00 H new ATOM 543 N TRP A 40 -8.369 7.476 0.309 1.00 0.00 N ATOM 544 CA TRP A 40 -7.775 6.329 -0.368 1.00 0.00 C ATOM 545 C TRP A 40 -8.763 5.702 -1.345 1.00 0.00 C ATOM 546 O TRP A 40 -9.971 5.705 -1.108 1.00 0.00 O ATOM 547 CB TRP A 40 -7.319 5.287 0.655 1.00 0.00 C ATOM 548 CG TRP A 40 -6.251 5.790 1.579 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.424 6.596 2.669 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.848 5.522 1.494 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.211 6.845 3.265 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.229 6.197 2.564 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.053 4.777 0.618 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.854 6.148 2.780 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.689 4.730 0.833 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.101 5.411 1.907 1.00 0.00 C ATOM 0 H TRP A 40 -8.971 7.236 1.097 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.909 6.679 -0.930 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.178 4.967 1.244 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.949 4.408 0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.373 6.980 3.011 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.066 7.420 4.095 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.497 4.248 -0.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.398 6.673 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.065 4.158 0.162 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.032 5.353 2.049 1.00 0.00 H new ATOM 567 N ARG A 41 -8.242 5.164 -2.443 1.00 0.00 N ATOM 568 CA ARG A 41 -9.080 4.534 -3.457 1.00 0.00 C ATOM 569 C ARG A 41 -8.421 3.268 -3.996 1.00 0.00 C ATOM 570 O ARG A 41 -7.211 3.231 -4.220 1.00 0.00 O ATOM 571 CB ARG A 41 -9.350 5.509 -4.604 1.00 0.00 C ATOM 572 CG ARG A 41 -10.119 6.750 -4.180 1.00 0.00 C ATOM 573 CD ARG A 41 -9.811 7.932 -5.086 1.00 0.00 C ATOM 574 NE ARG A 41 -10.173 9.205 -4.467 1.00 0.00 N ATOM 575 CZ ARG A 41 -11.408 9.694 -4.460 1.00 0.00 C ATOM 576 NH1 ARG A 41 -12.394 9.021 -5.036 1.00 0.00 N ATOM 577 NH2 ARG A 41 -11.658 10.859 -3.877 1.00 0.00 N ATOM 0 H ARG A 41 -7.244 5.152 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.027 4.261 -2.991 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.400 5.813 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.910 4.993 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.189 6.542 -4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.865 7.003 -3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.748 7.936 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.352 7.819 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.437 9.748 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.205 8.125 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.341 9.399 -5.029 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.902 11.380 -3.434 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.607 11.234 -3.872 1.00 0.00 H new ATOM 591 N LYS A 42 -9.225 2.230 -4.201 1.00 0.00 N ATOM 592 CA LYS A 42 -8.722 0.961 -4.714 1.00 0.00 C ATOM 593 C LYS A 42 -9.381 0.613 -6.045 1.00 0.00 C ATOM 594 O LYS A 42 -10.406 -0.067 -6.082 1.00 0.00 O ATOM 595 CB LYS A 42 -8.972 -0.157 -3.700 1.00 0.00 C ATOM 596 CG LYS A 42 -8.585 -1.536 -4.208 1.00 0.00 C ATOM 597 CD LYS A 42 -8.603 -2.566 -3.092 1.00 0.00 C ATOM 598 CE LYS A 42 -9.964 -3.234 -2.972 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.855 -2.511 -2.023 1.00 0.00 N ATOM 0 H LYS A 42 -10.229 2.243 -4.020 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.649 1.062 -4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.411 0.057 -2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.028 -0.162 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.273 -1.841 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.590 -1.496 -4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.841 -3.322 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.348 -2.085 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.436 -3.275 -3.954 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.835 -4.263 -2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.615 -3.147 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.303 -2.196 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.271 -1.685 -2.498 1.00 0.00 H new ATOM 613 N GLY A 43 -8.785 1.083 -7.136 1.00 0.00 N ATOM 614 CA GLY A 43 -9.328 0.809 -8.454 1.00 0.00 C ATOM 615 C GLY A 43 -10.561 1.638 -8.757 1.00 0.00 C ATOM 616 O GLY A 43 -10.505 2.868 -8.763 1.00 0.00 O ATOM 0 H GLY A 43 -7.936 1.648 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.565 1.009 -9.207 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.578 -0.249 -8.528 1.00 0.00 H new ATOM 620 N HIS A 44 -11.678 0.964 -9.011 1.00 0.00 N ATOM 621 CA HIS A 44 -12.930 1.646 -9.317 1.00 0.00 C ATOM 622 C HIS A 44 -13.795 1.782 -8.067 1.00 0.00 C ATOM 623 O HIS A 44 -14.985 1.470 -8.089 1.00 0.00 O ATOM 624 CB HIS A 44 -13.696 0.888 -10.402 1.00 0.00 C ATOM 625 CG HIS A 44 -14.556 1.769 -11.255 1.00 0.00 C ATOM 626 ND1 HIS A 44 -15.466 2.664 -10.733 1.00 0.00 N ATOM 627 CD2 HIS A 44 -14.639 1.891 -12.600 1.00 0.00 C ATOM 628 CE1 HIS A 44 -16.074 3.297 -11.721 1.00 0.00 C ATOM 629 NE2 HIS A 44 -15.589 2.847 -12.865 1.00 0.00 N ATOM 0 H HIS A 44 -11.742 -0.054 -9.011 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.691 2.645 -9.682 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -12.984 0.363 -11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.322 0.130 -9.931 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -15.642 2.814 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -14.065 1.339 -13.330 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -16.837 4.053 -11.612 1.00 0.00 H new ATOM 638 N GLU A 45 -13.187 2.247 -6.981 1.00 0.00 N ATOM 639 CA GLU A 45 -13.902 2.422 -5.722 1.00 0.00 C ATOM 640 C GLU A 45 -13.079 3.251 -4.739 1.00 0.00 C ATOM 641 O GLU A 45 -11.870 3.412 -4.905 1.00 0.00 O ATOM 642 CB GLU A 45 -14.234 1.061 -5.105 1.00 0.00 C ATOM 643 CG GLU A 45 -15.404 1.101 -4.137 1.00 0.00 C ATOM 644 CD GLU A 45 -15.943 -0.279 -3.815 1.00 0.00 C ATOM 645 OE1 GLU A 45 -15.142 -1.151 -3.419 1.00 0.00 O ATOM 646 OE2 GLU A 45 -17.166 -0.487 -3.960 1.00 0.00 O ATOM 0 H GLU A 45 -12.202 2.509 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.830 2.954 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.458 0.354 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.354 0.684 -4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.090 1.589 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.203 1.708 -4.563 1.00 0.00 H new ATOM 653 N THR A 46 -13.745 3.775 -3.714 1.00 0.00 N ATOM 654 CA THR A 46 -13.077 4.588 -2.706 1.00 0.00 C ATOM 655 C THR A 46 -13.054 3.880 -1.356 1.00 0.00 C ATOM 656 O THR A 46 -14.098 3.499 -0.825 1.00 0.00 O ATOM 657 CB THR A 46 -13.765 5.957 -2.543 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.968 6.559 -3.826 1.00 0.00 O ATOM 659 CG2 THR A 46 -12.930 6.881 -1.670 1.00 0.00 C ATOM 0 H THR A 46 -14.746 3.651 -3.561 1.00 0.00 H new ATOM 0 HA THR A 46 -12.054 4.742 -3.050 1.00 0.00 H new ATOM 0 HB THR A 46 -14.729 5.799 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.407 7.428 -3.714 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.436 7.841 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.802 6.433 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.953 7.032 -2.130 1.00 0.00 H new ATOM 667 N LEU A 47 -11.858 3.707 -0.805 1.00 0.00 N ATOM 668 CA LEU A 47 -11.698 3.045 0.486 1.00 0.00 C ATOM 669 C LEU A 47 -12.381 3.840 1.594 1.00 0.00 C ATOM 670 O LEU A 47 -12.465 5.067 1.529 1.00 0.00 O ATOM 671 CB LEU A 47 -10.214 2.867 0.810 1.00 0.00 C ATOM 672 CG LEU A 47 -9.416 1.993 -0.158 1.00 0.00 C ATOM 673 CD1 LEU A 47 -7.927 2.095 0.134 1.00 0.00 C ATOM 674 CD2 LEU A 47 -9.879 0.546 -0.077 1.00 0.00 C ATOM 0 H LEU A 47 -10.984 4.016 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.170 2.064 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.750 3.852 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.130 2.439 1.809 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.592 2.353 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.375 1.466 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.605 3.130 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.732 1.762 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.300 -0.061 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.734 0.174 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.936 0.487 -0.337 1.00 0.00 H new ATOM 686 N ARG A 48 -12.864 3.134 2.611 1.00 0.00 N ATOM 687 CA ARG A 48 -13.538 3.774 3.734 1.00 0.00 C ATOM 688 C ARG A 48 -13.418 2.924 4.996 1.00 0.00 C ATOM 689 O ARG A 48 -13.579 1.704 4.952 1.00 0.00 O ATOM 690 CB ARG A 48 -15.013 4.011 3.404 1.00 0.00 C ATOM 691 CG ARG A 48 -15.230 4.857 2.160 1.00 0.00 C ATOM 692 CD ARG A 48 -16.694 5.231 1.989 1.00 0.00 C ATOM 693 NE ARG A 48 -16.861 6.425 1.165 1.00 0.00 N ATOM 694 CZ ARG A 48 -16.802 6.418 -0.162 1.00 0.00 C ATOM 695 NH1 ARG A 48 -16.582 5.283 -0.812 1.00 0.00 N ATOM 696 NH2 ARG A 48 -16.965 7.546 -0.841 1.00 0.00 N ATOM 0 H ARG A 48 -12.801 2.118 2.680 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.055 4.734 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.506 3.048 3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.493 4.498 4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.627 5.763 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.888 4.309 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.230 4.398 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.142 5.401 2.968 1.00 0.00 H new ATOM 0 HE ARG A 48 -17.033 7.314 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.458 4.414 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.537 5.279 -1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -17.136 8.420 -0.344 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.919 7.539 -1.860 1.00 0.00 H new ATOM 710 N ASP A 49 -13.136 3.577 6.117 1.00 0.00 N ATOM 711 CA ASP A 49 -12.995 2.882 7.392 1.00 0.00 C ATOM 712 C ASP A 49 -13.997 1.736 7.499 1.00 0.00 C ATOM 713 O ASP A 49 -15.206 1.944 7.407 1.00 0.00 O ATOM 714 CB ASP A 49 -13.191 3.857 8.553 1.00 0.00 C ATOM 715 CG ASP A 49 -14.438 4.704 8.395 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.360 5.756 7.728 1.00 0.00 O ATOM 717 OD2 ASP A 49 -15.493 4.314 8.938 1.00 0.00 O ATOM 0 H ASP A 49 -13.000 4.587 6.170 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.988 2.467 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.251 3.298 9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.320 4.508 8.627 1.00 0.00 H new ATOM 765 N HIS A 53 -10.204 -2.765 7.173 1.00 0.00 N ATOM 766 CA HIS A 53 -9.536 -1.560 6.695 1.00 0.00 C ATOM 767 C HIS A 53 -9.235 -0.610 7.850 1.00 0.00 C ATOM 768 O HIS A 53 -10.021 -0.492 8.790 1.00 0.00 O ATOM 769 CB HIS A 53 -10.400 -0.853 5.650 1.00 0.00 C ATOM 770 CG HIS A 53 -10.538 -1.617 4.370 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.649 -2.373 4.060 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.696 -1.739 3.316 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.485 -2.927 2.872 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.308 -2.558 2.399 1.00 0.00 N ATOM 0 HA HIS A 53 -8.593 -1.856 6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.391 -0.679 6.068 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.968 0.125 5.435 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.724 -1.278 3.215 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -12.193 -3.572 2.372 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.917 -2.836 1.499 1.00 0.00 H new ATOM 783 N SER A 54 -8.092 0.064 7.774 1.00 0.00 N ATOM 784 CA SER A 54 -7.685 1.000 8.815 1.00 0.00 C ATOM 785 C SER A 54 -7.199 2.312 8.207 1.00 0.00 C ATOM 786 O SER A 54 -6.046 2.427 7.790 1.00 0.00 O ATOM 787 CB SER A 54 -6.582 0.386 9.679 1.00 0.00 C ATOM 788 OG SER A 54 -6.845 -0.981 9.947 1.00 0.00 O ATOM 0 H SER A 54 -7.431 -0.021 7.002 1.00 0.00 H new ATOM 0 HA SER A 54 -8.553 1.209 9.440 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.622 0.482 9.171 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.503 0.935 10.617 1.00 0.00 H new ATOM 0 HG SER A 54 -5.999 -1.472 10.003 1.00 0.00 H new ATOM 794 N LEU A 55 -8.087 3.299 8.161 1.00 0.00 N ATOM 795 CA LEU A 55 -7.751 4.605 7.604 1.00 0.00 C ATOM 796 C LEU A 55 -7.552 5.634 8.712 1.00 0.00 C ATOM 797 O LEU A 55 -8.506 6.033 9.380 1.00 0.00 O ATOM 798 CB LEU A 55 -8.850 5.072 6.649 1.00 0.00 C ATOM 799 CG LEU A 55 -8.997 4.275 5.352 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.741 2.974 5.607 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.713 5.103 4.295 1.00 0.00 C ATOM 0 H LEU A 55 -9.045 3.220 8.503 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.816 4.508 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.802 5.042 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.661 6.114 6.392 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.001 4.033 4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.836 2.420 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.188 2.374 6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.733 3.194 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.809 4.520 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.704 5.376 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.140 6.007 4.091 1.00 0.00 H new ATOM 813 N ARG A 56 -6.308 6.062 8.899 1.00 0.00 N ATOM 814 CA ARG A 56 -5.984 7.046 9.925 1.00 0.00 C ATOM 815 C ARG A 56 -4.732 7.832 9.548 1.00 0.00 C ATOM 816 O ARG A 56 -3.774 7.273 9.015 1.00 0.00 O ATOM 817 CB ARG A 56 -5.780 6.358 11.276 1.00 0.00 C ATOM 818 CG ARG A 56 -4.684 5.305 11.263 1.00 0.00 C ATOM 819 CD ARG A 56 -4.672 4.498 12.552 1.00 0.00 C ATOM 820 NE ARG A 56 -3.342 3.980 12.861 1.00 0.00 N ATOM 821 CZ ARG A 56 -2.300 4.753 13.147 1.00 0.00 C ATOM 822 NH1 ARG A 56 -2.434 6.072 13.164 1.00 0.00 N ATOM 823 NH2 ARG A 56 -1.121 4.207 13.417 1.00 0.00 N ATOM 0 H ARG A 56 -5.508 5.743 8.353 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.819 7.742 10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.539 7.112 12.026 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.717 5.892 11.582 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.831 4.636 10.415 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.716 5.787 11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.017 5.124 13.375 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.373 3.668 12.467 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.206 2.969 12.857 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.339 6.495 12.957 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.632 6.663 13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.014 3.193 13.405 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.322 4.802 13.636 1.00 0.00 H new ATOM 837 N GLN A 57 -4.748 9.131 9.829 1.00 0.00 N ATOM 838 CA GLN A 57 -3.614 9.994 9.519 1.00 0.00 C ATOM 839 C GLN A 57 -3.219 10.831 10.731 1.00 0.00 C ATOM 840 O GLN A 57 -4.070 11.436 11.383 1.00 0.00 O ATOM 841 CB GLN A 57 -3.950 10.908 8.339 1.00 0.00 C ATOM 842 CG GLN A 57 -4.584 12.227 8.753 1.00 0.00 C ATOM 843 CD GLN A 57 -4.761 13.180 7.588 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.835 13.751 7.396 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.705 13.359 6.804 1.00 0.00 N ATOM 0 H GLN A 57 -5.533 9.609 10.271 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.770 9.360 9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.038 11.113 7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.628 10.384 7.666 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.555 12.032 9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.964 12.701 9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.834 12.865 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.764 13.990 6.005 1.00 0.00 H new ATOM 854 N ASP A 58 -1.924 10.861 11.026 1.00 0.00 N ATOM 855 CA ASP A 58 -1.416 11.625 12.159 1.00 0.00 C ATOM 856 C ASP A 58 -0.698 12.886 11.687 1.00 0.00 C ATOM 857 O ASP A 58 0.365 12.814 11.072 1.00 0.00 O ATOM 858 CB ASP A 58 -0.467 10.766 12.996 1.00 0.00 C ATOM 859 CG ASP A 58 -0.477 11.152 14.462 1.00 0.00 C ATOM 860 OD1 ASP A 58 -1.577 11.386 15.007 1.00 0.00 O ATOM 861 OD2 ASP A 58 0.614 11.218 15.066 1.00 0.00 O ATOM 0 H ASP A 58 -1.207 10.365 10.496 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.265 11.921 12.775 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.748 9.718 12.898 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.546 10.862 12.605 1.00 0.00 H new ATOM 866 N GLY A 59 -1.289 14.041 11.979 1.00 0.00 N ATOM 867 CA GLY A 59 -0.692 15.301 11.575 1.00 0.00 C ATOM 868 C GLY A 59 -0.582 15.434 10.069 1.00 0.00 C ATOM 869 O GLY A 59 -1.538 15.829 9.403 1.00 0.00 O ATOM 0 H GLY A 59 -2.169 14.127 12.487 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.289 16.125 11.967 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.300 15.388 12.018 1.00 0.00 H new ATOM 873 N SER A 60 0.589 15.106 9.532 1.00 0.00 N ATOM 874 CA SER A 60 0.823 15.197 8.095 1.00 0.00 C ATOM 875 C SER A 60 1.267 13.851 7.531 1.00 0.00 C ATOM 876 O SER A 60 1.991 13.790 6.538 1.00 0.00 O ATOM 877 CB SER A 60 1.879 16.262 7.795 1.00 0.00 C ATOM 878 OG SER A 60 1.526 17.507 8.372 1.00 0.00 O ATOM 0 H SER A 60 1.390 14.775 10.070 1.00 0.00 H new ATOM 0 HA SER A 60 -0.114 15.481 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.846 15.939 8.182 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.989 16.376 6.717 1.00 0.00 H new ATOM 0 HG SER A 60 2.218 18.170 8.167 1.00 0.00 H new ATOM 884 N ARG A 61 0.827 12.773 8.173 1.00 0.00 N ATOM 885 CA ARG A 61 1.179 11.427 7.738 1.00 0.00 C ATOM 886 C ARG A 61 -0.062 10.545 7.639 1.00 0.00 C ATOM 887 O ARG A 61 -0.703 10.243 8.647 1.00 0.00 O ATOM 888 CB ARG A 61 2.187 10.802 8.705 1.00 0.00 C ATOM 889 CG ARG A 61 3.123 9.803 8.046 1.00 0.00 C ATOM 890 CD ARG A 61 3.972 9.073 9.076 1.00 0.00 C ATOM 891 NE ARG A 61 3.289 7.901 9.617 1.00 0.00 N ATOM 892 CZ ARG A 61 2.501 7.938 10.686 1.00 0.00 C ATOM 893 NH1 ARG A 61 2.298 9.082 11.325 1.00 0.00 N ATOM 894 NH2 ARG A 61 1.914 6.829 11.117 1.00 0.00 N ATOM 0 H ARG A 61 0.226 12.806 8.996 1.00 0.00 H new ATOM 0 HA ARG A 61 1.632 11.499 6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.779 11.595 9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.646 10.304 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.541 9.080 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.771 10.321 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.912 8.765 8.618 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.221 9.755 9.889 1.00 0.00 H new ATOM 0 HE ARG A 61 3.424 7.005 9.149 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.747 9.937 10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.692 9.107 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.068 5.947 10.628 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.309 6.858 11.938 1.00 0.00 H new ATOM 908 N CYS A 62 -0.396 10.137 6.420 1.00 0.00 N ATOM 909 CA CYS A 62 -1.561 9.290 6.190 1.00 0.00 C ATOM 910 C CYS A 62 -1.156 7.823 6.087 1.00 0.00 C ATOM 911 O CYS A 62 -0.259 7.470 5.324 1.00 0.00 O ATOM 912 CB CYS A 62 -2.287 9.722 4.914 1.00 0.00 C ATOM 913 SG CYS A 62 -2.245 11.503 4.608 1.00 0.00 S ATOM 0 H CYS A 62 0.123 10.379 5.576 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.235 9.403 7.039 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.841 9.207 4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.326 9.399 4.973 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.323 11.771 3.731 1.00 0.00 H new ATOM 919 N GLU A 63 -1.824 6.975 6.864 1.00 0.00 N ATOM 920 CA GLU A 63 -1.531 5.547 6.862 1.00 0.00 C ATOM 921 C GLU A 63 -2.791 4.733 6.582 1.00 0.00 C ATOM 922 O GLU A 63 -3.849 4.989 7.158 1.00 0.00 O ATOM 923 CB GLU A 63 -0.926 5.126 8.202 1.00 0.00 C ATOM 924 CG GLU A 63 -0.430 3.689 8.222 1.00 0.00 C ATOM 925 CD GLU A 63 -1.516 2.703 8.606 1.00 0.00 C ATOM 926 OE1 GLU A 63 -1.822 2.596 9.812 1.00 0.00 O ATOM 927 OE2 GLU A 63 -2.059 2.037 7.700 1.00 0.00 O ATOM 0 H GLU A 63 -2.570 7.252 7.502 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.810 5.352 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.096 5.791 8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.674 5.254 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.040 3.429 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.398 3.604 8.926 1.00 0.00 H new ATOM 934 N LEU A 64 -2.670 3.753 5.693 1.00 0.00 N ATOM 935 CA LEU A 64 -3.799 2.901 5.336 1.00 0.00 C ATOM 936 C LEU A 64 -3.460 1.429 5.548 1.00 0.00 C ATOM 937 O LEU A 64 -2.331 1.003 5.307 1.00 0.00 O ATOM 938 CB LEU A 64 -4.201 3.139 3.879 1.00 0.00 C ATOM 939 CG LEU A 64 -5.012 2.025 3.216 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.445 2.032 3.725 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.981 2.171 1.702 1.00 0.00 C ATOM 0 H LEU A 64 -1.802 3.529 5.206 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.636 3.158 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.779 4.061 3.829 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.295 3.299 3.294 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.560 1.068 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.007 1.232 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.449 1.877 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.908 2.991 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.563 1.370 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.407 3.134 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.950 2.114 1.352 1.00 0.00 H new ATOM 953 N GLN A 65 -4.445 0.659 5.998 1.00 0.00 N ATOM 954 CA GLN A 65 -4.250 -0.765 6.241 1.00 0.00 C ATOM 955 C GLN A 65 -5.346 -1.587 5.570 1.00 0.00 C ATOM 956 O GLN A 65 -6.519 -1.214 5.597 1.00 0.00 O ATOM 957 CB GLN A 65 -4.230 -1.050 7.743 1.00 0.00 C ATOM 958 CG GLN A 65 -3.442 -2.295 8.116 1.00 0.00 C ATOM 959 CD GLN A 65 -3.718 -2.758 9.534 1.00 0.00 C ATOM 960 OE1 GLN A 65 -4.822 -3.200 9.851 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.712 -2.658 10.395 1.00 0.00 N ATOM 0 H GLN A 65 -5.386 0.997 6.202 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.290 -1.053 5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.803 -0.191 8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.255 -1.159 8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.688 -3.098 7.421 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.377 -2.093 8.005 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.813 -2.285 10.088 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.838 -2.954 11.363 1.00 0.00 H new ATOM 970 N ILE A 66 -4.956 -2.706 4.969 1.00 0.00 N ATOM 971 CA ILE A 66 -5.905 -3.580 4.292 1.00 0.00 C ATOM 972 C ILE A 66 -5.822 -5.005 4.830 1.00 0.00 C ATOM 973 O ILE A 66 -5.106 -5.844 4.284 1.00 0.00 O ATOM 974 CB ILE A 66 -5.664 -3.603 2.771 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.778 -2.190 2.194 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.653 -4.539 2.092 1.00 0.00 C ATOM 977 CD1 ILE A 66 -5.258 -2.073 0.778 1.00 0.00 C ATOM 0 H ILE A 66 -3.989 -3.029 4.937 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.899 -3.177 4.488 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.656 -3.973 2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.823 -1.880 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.228 -1.500 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.470 -4.544 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.529 -5.548 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.670 -4.196 2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.370 -1.045 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.204 -2.351 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.825 -2.738 0.126 1.00 0.00 H new ATOM 989 N ARG A 67 -6.559 -5.270 5.903 1.00 0.00 N ATOM 990 CA ARG A 67 -6.569 -6.593 6.515 1.00 0.00 C ATOM 991 C ARG A 67 -7.220 -7.616 5.588 1.00 0.00 C ATOM 992 O ARG A 67 -8.331 -7.411 5.103 1.00 0.00 O ATOM 993 CB ARG A 67 -7.312 -6.555 7.852 1.00 0.00 C ATOM 994 CG ARG A 67 -6.431 -6.164 9.027 1.00 0.00 C ATOM 995 CD ARG A 67 -7.173 -6.298 10.348 1.00 0.00 C ATOM 996 NE ARG A 67 -7.119 -7.661 10.870 1.00 0.00 N ATOM 997 CZ ARG A 67 -7.919 -8.113 11.829 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.831 -7.315 12.367 1.00 0.00 N ATOM 999 NH2 ARG A 67 -7.809 -9.366 12.251 1.00 0.00 N ATOM 0 H ARG A 67 -7.157 -4.586 6.367 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.536 -6.892 6.690 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.139 -5.849 7.778 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.746 -7.536 8.045 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.542 -6.794 9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.091 -5.136 8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -6.741 -5.613 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.213 -6.003 10.211 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.429 -8.301 10.476 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.920 -6.351 12.045 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.444 -7.665 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.109 -9.983 11.839 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.424 -9.712 12.988 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.517 -8.719 5.346 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.042 -9.757 4.478 1.00 0.00 C ATOM 1015 C GLY A 68 -6.723 -9.507 3.017 1.00 0.00 C ATOM 1016 O GLY A 68 -7.627 -9.361 2.193 1.00 0.00 O ATOM 0 H GLY A 68 -5.594 -8.912 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.629 -10.720 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.123 -9.821 4.605 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.435 -9.455 2.695 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.999 -9.219 1.323 1.00 0.00 C ATOM 1022 C LEU A 69 -5.547 -10.289 0.385 1.00 0.00 C ATOM 1023 O LEU A 69 -5.864 -11.400 0.812 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.471 -9.195 1.250 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.804 -7.861 1.587 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.313 -8.053 1.817 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -3.048 -6.848 0.478 1.00 0.00 C ATOM 0 H LEU A 69 -4.675 -9.573 3.365 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.388 -8.251 1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.083 -9.954 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.171 -9.484 0.243 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.246 -7.477 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.855 -7.093 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.159 -8.745 2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.855 -8.459 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.566 -5.905 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.633 -7.225 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.120 -6.688 0.361 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.655 -9.949 -0.895 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.161 -10.882 -1.894 1.00 0.00 C ATOM 1041 C ALA A 70 -5.617 -10.550 -3.279 1.00 0.00 C ATOM 1042 O ALA A 70 -5.330 -9.393 -3.584 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.682 -10.870 -1.905 1.00 0.00 C ATOM 0 H ALA A 70 -5.399 -9.034 -1.265 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.819 -11.882 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.046 -11.571 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.055 -11.163 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.036 -9.867 -2.143 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.478 -11.574 -4.116 1.00 0.00 N ATOM 1050 CA VAL A 71 -4.970 -11.391 -5.470 1.00 0.00 C ATOM 1051 C VAL A 71 -5.718 -10.276 -6.192 1.00 0.00 C ATOM 1052 O VAL A 71 -5.125 -9.501 -6.943 1.00 0.00 O ATOM 1053 CB VAL A 71 -5.084 -12.688 -6.293 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.765 -12.423 -7.756 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.168 -13.761 -5.725 1.00 0.00 C ATOM 0 H VAL A 71 -5.710 -12.539 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.918 -11.119 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.111 -13.048 -6.230 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.851 -13.351 -8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.466 -11.690 -8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.749 -12.038 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.261 -14.670 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.136 -13.412 -5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.449 -13.971 -4.693 1.00 0.00 H new ATOM 1065 N VAL A 72 -7.025 -10.201 -5.960 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.855 -9.180 -6.587 1.00 0.00 C ATOM 1067 C VAL A 72 -7.528 -7.795 -6.042 1.00 0.00 C ATOM 1068 O VAL A 72 -7.625 -6.796 -6.756 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.353 -9.464 -6.372 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.721 -10.835 -6.918 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.708 -9.357 -4.896 1.00 0.00 C ATOM 0 H VAL A 72 -7.531 -10.835 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.638 -9.208 -7.655 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.929 -8.716 -6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.783 -11.018 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.504 -10.872 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.139 -11.600 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.770 -9.561 -4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.125 -10.082 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.483 -8.352 -4.540 1.00 0.00 H new ATOM 1081 N ASP A 73 -7.141 -7.741 -4.773 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.797 -6.478 -4.130 1.00 0.00 C ATOM 1083 C ASP A 73 -5.582 -5.841 -4.798 1.00 0.00 C ATOM 1084 O ASP A 73 -5.351 -4.639 -4.672 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.521 -6.696 -2.642 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.782 -7.003 -1.858 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.639 -7.744 -2.381 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -7.911 -6.501 -0.722 1.00 0.00 O ATOM 0 H ASP A 73 -7.057 -8.558 -4.168 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.645 -5.802 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.814 -7.517 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.048 -5.805 -2.229 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.808 -6.656 -5.507 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.618 -6.173 -6.196 1.00 0.00 C ATOM 1095 C ALA A 74 -3.981 -5.504 -7.517 1.00 0.00 C ATOM 1096 O ALA A 74 -4.689 -6.079 -8.342 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.644 -7.318 -6.432 1.00 0.00 C ATOM 0 H ALA A 74 -4.984 -7.654 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.139 -5.427 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.760 -6.943 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.351 -7.749 -5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.123 -8.083 -7.043 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.491 -4.283 -7.711 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.776 -3.555 -8.933 1.00 0.00 C ATOM 1105 C GLY A 75 -3.148 -2.175 -8.946 1.00 0.00 C ATOM 1106 O GLY A 75 -2.133 -1.955 -9.605 1.00 0.00 O ATOM 0 H GLY A 75 -2.902 -3.785 -7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.409 -4.126 -9.786 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.855 -3.461 -9.053 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.755 -1.244 -8.217 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.250 0.122 -8.150 1.00 0.00 C ATOM 1112 C GLU A 76 -4.054 0.952 -7.154 1.00 0.00 C ATOM 1113 O GLU A 76 -5.256 1.157 -7.328 1.00 0.00 O ATOM 1114 CB GLU A 76 -3.299 0.777 -9.533 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.920 2.248 -9.524 1.00 0.00 C ATOM 1116 CD GLU A 76 -2.300 2.698 -10.832 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -1.390 2.002 -11.328 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -2.725 3.747 -11.361 1.00 0.00 O ATOM 0 H GLU A 76 -4.596 -1.411 -7.665 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.215 0.082 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.627 0.241 -10.203 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.305 0.672 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.808 2.847 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.218 2.434 -8.711 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.384 1.426 -6.110 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.036 2.230 -5.084 1.00 0.00 C ATOM 1127 C TYR A 77 -3.687 3.707 -5.246 1.00 0.00 C ATOM 1128 O TYR A 77 -2.516 4.074 -5.333 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.626 1.748 -3.691 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.201 0.399 -3.324 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.642 -0.774 -3.818 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.302 0.296 -2.483 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.165 -2.009 -3.486 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.830 -0.935 -2.144 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.258 -2.084 -2.648 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.781 -3.312 -2.314 1.00 0.00 O ATOM 0 H TYR A 77 -2.389 1.267 -5.952 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.114 2.115 -5.199 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.538 1.696 -3.639 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.946 2.483 -2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.785 -0.719 -4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.753 1.194 -2.087 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.720 -2.911 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.686 -0.997 -1.488 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.617 -3.946 -3.043 1.00 0.00 H new ATOM 1146 N SER A 78 -4.714 4.550 -5.285 1.00 0.00 N ATOM 1147 CA SER A 78 -4.519 5.986 -5.440 1.00 0.00 C ATOM 1148 C SER A 78 -4.989 6.736 -4.196 1.00 0.00 C ATOM 1149 O SER A 78 -5.998 6.378 -3.588 1.00 0.00 O ATOM 1150 CB SER A 78 -5.271 6.495 -6.671 1.00 0.00 C ATOM 1151 OG SER A 78 -4.694 5.996 -7.864 1.00 0.00 O ATOM 0 H SER A 78 -5.690 4.263 -5.211 1.00 0.00 H new ATOM 0 HA SER A 78 -3.453 6.170 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.316 6.191 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.257 7.585 -6.685 1.00 0.00 H new ATOM 0 HG SER A 78 -5.194 6.335 -8.636 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.250 7.776 -3.826 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.590 8.576 -2.655 1.00 0.00 C ATOM 1159 C CYS A 79 -4.858 10.026 -3.046 1.00 0.00 C ATOM 1160 O CYS A 79 -3.938 10.765 -3.396 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.462 8.513 -1.624 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.936 9.083 0.025 1.00 0.00 S ATOM 0 H CYS A 79 -3.412 8.085 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.498 8.164 -2.215 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.106 7.485 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.626 9.116 -1.979 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.060 8.061 0.819 1.00 0.00 H new ATOM 1168 N VAL A 80 -6.124 10.425 -2.985 1.00 0.00 N ATOM 1169 CA VAL A 80 -6.514 11.786 -3.334 1.00 0.00 C ATOM 1170 C VAL A 80 -6.782 12.618 -2.084 1.00 0.00 C ATOM 1171 O VAL A 80 -7.581 12.234 -1.230 1.00 0.00 O ATOM 1172 CB VAL A 80 -7.770 11.800 -4.225 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.913 13.143 -4.925 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -7.717 10.665 -5.237 1.00 0.00 C ATOM 0 H VAL A 80 -6.897 9.825 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.681 12.222 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.645 11.652 -3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.806 13.134 -5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.999 13.934 -4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.036 13.324 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.612 10.690 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.835 10.780 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.666 9.711 -4.712 1.00 0.00 H new ATOM 1184 N CYS A 81 -6.109 13.759 -1.985 1.00 0.00 N ATOM 1185 CA CYS A 81 -6.274 14.646 -0.839 1.00 0.00 C ATOM 1186 C CYS A 81 -7.098 15.873 -1.215 1.00 0.00 C ATOM 1187 O CYS A 81 -7.815 16.431 -0.386 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.909 15.079 -0.302 1.00 0.00 C ATOM 1189 SG CYS A 81 -4.986 16.398 0.933 1.00 0.00 S ATOM 0 H CYS A 81 -5.444 14.091 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.806 14.098 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.412 14.214 0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.292 15.412 -1.136 1.00 0.00 H new ATOM 0 HG CYS A 81 -6.197 16.867 0.993 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.989 16.290 -2.473 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.728 17.449 -2.938 1.00 0.00 C ATOM 1197 C GLY A 82 -7.432 17.784 -4.386 1.00 0.00 C ATOM 1198 O GLY A 82 -8.217 17.460 -5.277 1.00 0.00 O ATOM 0 H GLY A 82 -6.402 15.845 -3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.796 17.265 -2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.483 18.307 -2.312 1.00 0.00 H new ATOM 1202 N GLN A 83 -6.297 18.435 -4.621 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.901 18.815 -5.972 1.00 0.00 C ATOM 1204 C GLN A 83 -4.938 17.792 -6.566 1.00 0.00 C ATOM 1205 O GLN A 83 -5.077 17.394 -7.721 1.00 0.00 O ATOM 1206 CB GLN A 83 -5.252 20.200 -5.965 1.00 0.00 C ATOM 1207 CG GLN A 83 -5.429 20.962 -7.268 1.00 0.00 C ATOM 1208 CD GLN A 83 -5.160 22.447 -7.117 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -5.399 23.029 -6.059 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -4.659 23.068 -8.178 1.00 0.00 N ATOM 0 H GLN A 83 -5.636 18.710 -3.894 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.797 18.844 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.676 20.787 -5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.187 20.092 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.756 20.549 -8.020 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.445 20.816 -7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.476 22.546 -9.035 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.457 24.067 -8.136 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.963 17.372 -5.766 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.976 16.396 -6.215 1.00 0.00 C ATOM 1221 C GLU A 84 -3.389 14.982 -5.816 1.00 0.00 C ATOM 1222 O GLU A 84 -4.232 14.795 -4.938 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.601 16.722 -5.629 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.905 17.883 -6.318 1.00 0.00 C ATOM 1225 CD GLU A 84 -0.369 17.512 -7.687 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -1.178 17.399 -8.631 1.00 0.00 O ATOM 1227 OE2 GLU A 84 0.861 17.336 -7.814 1.00 0.00 O ATOM 0 H GLU A 84 -3.835 17.691 -4.806 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.921 16.447 -7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.713 16.953 -4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.968 15.838 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.604 18.713 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.083 18.232 -5.693 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.791 13.991 -6.468 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.097 12.594 -6.183 1.00 0.00 C ATOM 1236 C ARG A 85 -1.932 11.691 -6.575 1.00 0.00 C ATOM 1237 O ARG A 85 -1.288 11.901 -7.604 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.362 12.165 -6.929 1.00 0.00 C ATOM 1239 CG ARG A 85 -4.536 10.658 -7.016 1.00 0.00 C ATOM 1240 CD ARG A 85 -5.612 10.279 -8.021 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.074 10.131 -9.370 1.00 0.00 N ATOM 1242 CZ ARG A 85 -5.743 9.572 -10.372 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -6.971 9.110 -10.177 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.185 9.473 -11.572 1.00 0.00 N ATOM 0 H ARG A 85 -2.092 14.129 -7.197 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.265 12.496 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.231 12.594 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.337 12.578 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.591 10.197 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.798 10.264 -6.034 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.082 9.345 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.391 11.042 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.132 10.476 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.403 9.184 -9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.483 8.681 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.241 9.827 -11.726 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.700 9.043 -12.340 1.00 0.00 H new ATOM 1258 N THR A 86 -1.665 10.685 -5.748 1.00 0.00 N ATOM 1259 CA THR A 86 -0.576 9.751 -6.007 1.00 0.00 C ATOM 1260 C THR A 86 -1.111 8.371 -6.373 1.00 0.00 C ATOM 1261 O THR A 86 -2.273 8.057 -6.116 1.00 0.00 O ATOM 1262 CB THR A 86 0.355 9.621 -4.787 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.366 8.640 -5.045 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.432 9.232 -3.545 1.00 0.00 C ATOM 0 H THR A 86 -2.188 10.496 -4.893 1.00 0.00 H new ATOM 0 HA THR A 86 -0.008 10.152 -6.847 1.00 0.00 H new ATOM 0 HB THR A 86 0.825 10.589 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.223 8.952 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.247 9.146 -2.696 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.181 9.996 -3.335 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.926 8.275 -3.712 1.00 0.00 H new ATOM 1272 N SER A 87 -0.256 7.550 -6.974 1.00 0.00 N ATOM 1273 CA SER A 87 -0.644 6.204 -7.378 1.00 0.00 C ATOM 1274 C SER A 87 0.486 5.212 -7.120 1.00 0.00 C ATOM 1275 O SER A 87 1.661 5.578 -7.127 1.00 0.00 O ATOM 1276 CB SER A 87 -1.027 6.184 -8.859 1.00 0.00 C ATOM 1277 OG SER A 87 0.012 6.717 -9.662 1.00 0.00 O ATOM 0 H SER A 87 0.710 7.794 -7.192 1.00 0.00 H new ATOM 0 HA SER A 87 -1.507 5.907 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.242 5.161 -9.168 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.940 6.761 -9.010 1.00 0.00 H new ATOM 0 HG SER A 87 -0.257 6.691 -10.604 1.00 0.00 H new ATOM 1283 N ALA A 88 0.121 3.954 -6.893 1.00 0.00 N ATOM 1284 CA ALA A 88 1.103 2.909 -6.634 1.00 0.00 C ATOM 1285 C ALA A 88 0.501 1.525 -6.852 1.00 0.00 C ATOM 1286 O ALA A 88 -0.636 1.261 -6.458 1.00 0.00 O ATOM 1287 CB ALA A 88 1.646 3.033 -5.219 1.00 0.00 C ATOM 0 H ALA A 88 -0.848 3.634 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 88 1.925 3.035 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.378 2.246 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.122 4.006 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.828 2.936 -4.505 1.00 0.00 H new ATOM 1293 N THR A 89 1.270 0.642 -7.482 1.00 0.00 N ATOM 1294 CA THR A 89 0.812 -0.714 -7.754 1.00 0.00 C ATOM 1295 C THR A 89 1.001 -1.613 -6.537 1.00 0.00 C ATOM 1296 O THR A 89 1.990 -1.493 -5.812 1.00 0.00 O ATOM 1297 CB THR A 89 1.557 -1.330 -8.953 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.549 -0.416 -10.056 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.917 -2.644 -9.372 1.00 0.00 C ATOM 0 H THR A 89 2.214 0.843 -7.813 1.00 0.00 H new ATOM 0 HA THR A 89 -0.250 -0.646 -7.992 1.00 0.00 H new ATOM 0 HB THR A 89 2.586 -1.526 -8.651 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.026 -0.814 -10.814 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.461 -3.059 -10.220 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.951 -3.347 -8.540 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.120 -2.469 -9.657 1.00 0.00 H new ATOM 1307 N LEU A 90 0.049 -2.513 -6.318 1.00 0.00 N ATOM 1308 CA LEU A 90 0.112 -3.434 -5.188 1.00 0.00 C ATOM 1309 C LEU A 90 0.389 -4.857 -5.660 1.00 0.00 C ATOM 1310 O LEU A 90 -0.254 -5.353 -6.587 1.00 0.00 O ATOM 1311 CB LEU A 90 -1.197 -3.392 -4.398 1.00 0.00 C ATOM 1312 CG LEU A 90 -1.145 -3.967 -2.982 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -1.200 -5.487 -3.022 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.108 -3.495 -2.260 1.00 0.00 C ATOM 0 H LEU A 90 -0.776 -2.625 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 90 0.931 -3.120 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.527 -2.355 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.956 -3.935 -4.961 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.014 -3.606 -2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.162 -5.879 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.127 -5.805 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.351 -5.867 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.128 -3.914 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.990 -3.825 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.105 -2.407 -2.200 1.00 0.00 H new ATOM 1326 N THR A 91 1.349 -5.513 -5.016 1.00 0.00 N ATOM 1327 CA THR A 91 1.711 -6.880 -5.369 1.00 0.00 C ATOM 1328 C THR A 91 1.300 -7.857 -4.273 1.00 0.00 C ATOM 1329 O THR A 91 1.785 -7.780 -3.144 1.00 0.00 O ATOM 1330 CB THR A 91 3.225 -7.014 -5.619 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.644 -6.063 -6.604 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.574 -8.420 -6.084 1.00 0.00 C ATOM 0 H THR A 91 1.890 -5.119 -4.246 1.00 0.00 H new ATOM 0 HA THR A 91 1.176 -7.122 -6.288 1.00 0.00 H new ATOM 0 HB THR A 91 3.745 -6.819 -4.681 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.608 -6.153 -6.756 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.648 -8.491 -6.254 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.279 -9.140 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.045 -8.638 -7.011 1.00 0.00 H new ATOM 1340 N VAL A 92 0.404 -8.778 -4.614 1.00 0.00 N ATOM 1341 CA VAL A 92 -0.071 -9.773 -3.660 1.00 0.00 C ATOM 1342 C VAL A 92 0.254 -11.186 -4.131 1.00 0.00 C ATOM 1343 O VAL A 92 -0.442 -11.744 -4.978 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.590 -9.655 -3.435 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -2.021 -10.498 -2.244 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -1.988 -8.200 -3.241 1.00 0.00 C ATOM 0 H VAL A 92 -0.007 -8.856 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 92 0.444 -9.580 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.101 -10.033 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.097 -10.402 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.771 -11.543 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.504 -10.154 -1.348 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.065 -8.135 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.469 -7.793 -2.373 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.716 -7.627 -4.128 1.00 0.00 H new ATOM 1356 N ARG A 93 1.317 -11.759 -3.575 1.00 0.00 N ATOM 1357 CA ARG A 93 1.735 -13.108 -3.939 1.00 0.00 C ATOM 1358 C ARG A 93 0.793 -14.149 -3.342 1.00 0.00 C ATOM 1359 O ARG A 93 0.685 -14.276 -2.123 1.00 0.00 O ATOM 1360 CB ARG A 93 3.166 -13.367 -3.463 1.00 0.00 C ATOM 1361 CG ARG A 93 4.215 -12.578 -4.230 1.00 0.00 C ATOM 1362 CD ARG A 93 5.550 -13.306 -4.257 1.00 0.00 C ATOM 1363 NE ARG A 93 5.999 -13.676 -2.918 1.00 0.00 N ATOM 1364 CZ ARG A 93 6.449 -12.801 -2.025 1.00 0.00 C ATOM 1365 NH1 ARG A 93 6.509 -11.512 -2.328 1.00 0.00 N ATOM 1366 NH2 ARG A 93 6.839 -13.216 -0.827 1.00 0.00 N ATOM 0 H ARG A 93 1.904 -11.311 -2.872 1.00 0.00 H new ATOM 0 HA ARG A 93 1.699 -13.192 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.238 -13.118 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.384 -14.431 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.871 -12.409 -5.250 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.343 -11.598 -3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.461 -14.203 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.300 -12.671 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 93 5.965 -14.661 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.209 -11.190 -3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.855 -10.842 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.794 -14.207 -0.591 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.184 -12.544 -0.142 1.00 0.00 H new ATOM 1380 N ALA A 94 0.113 -14.891 -4.210 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.818 -15.922 -3.769 1.00 0.00 C ATOM 1382 C ALA A 94 -0.110 -16.979 -2.930 1.00 0.00 C ATOM 1383 O ALA A 94 0.907 -17.537 -3.344 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.499 -16.566 -4.968 1.00 0.00 C ATOM 0 H ALA A 94 0.190 -14.797 -5.223 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.576 -15.449 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.192 -17.334 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.047 -15.807 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.747 -17.019 -5.614 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.652 -17.250 -1.747 1.00 0.00 N ATOM 1391 CA LEU A 95 -0.071 -18.241 -0.848 1.00 0.00 C ATOM 1392 C LEU A 95 -0.012 -19.612 -1.514 1.00 0.00 C ATOM 1393 O LEU A 95 -0.899 -19.998 -2.277 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.883 -18.323 0.445 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.708 -17.160 1.422 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -1.885 -17.089 2.383 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.600 -17.298 2.187 1.00 0.00 C ATOM 0 H LEU A 95 -1.493 -16.797 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 95 0.946 -17.929 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.939 -18.396 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.617 -19.247 0.959 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.675 -16.232 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.743 -16.255 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.806 -16.942 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.950 -18.019 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.708 -16.462 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.597 -18.233 2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.434 -17.298 1.485 1.00 0.00 H new