USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 46 MET CE :methyl 180:sc= -0.028 (180deg=-0.028) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.338 K(o=-0.37,f=-3.4!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0.59 USER MOD Set 2.2: A 55 LYS NZ :NH3+ -101:sc= 0.102 (180deg=-0.593) USER MOD Set 3.1: A 18 MET CE :methyl 159:sc= -4.26! (180deg=-2.44!) USER MOD Set 3.2: A 86 MET CE :methyl -167:sc= -12.4! (180deg=-12.9!) USER MOD Single : A 6 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.4!) USER MOD Single : A 7 GLN : amide:sc= -2.89 K(o=-2.9,f=-3.7!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -175:sc= -0.425 (180deg=-0.463) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00788 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 179:sc= -10.1! (180deg=-10.2!) USER MOD Single : A 52 ASN : amide:sc= -0.0814 X(o=-0.081,f=-0.014) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 64:sc= 0.192 USER MOD Single : A 72 THR OG1 : rot -167:sc= -0.807 USER MOD Single : A 81 MET CE :methyl -149:sc= -0.649 (180deg=-2.23!) USER MOD Single : A 82 MET CE :methyl -120:sc= -7.31! (180deg=-11.6!) USER MOD Single : A 85 GLN : amide:sc= 0.727 K(o=0.73,f=-0.13) USER MOD Single : A 87 LYS NZ :NH3+ -160:sc= -0.159 (180deg=-1.44!) USER MOD Single : B 117 SER OG : rot 28:sc= 0.0046 USER MOD Single : B 121 MET CE :methyl -135:sc= -5.97! (180deg=-8.02!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.125 2.670 -0.966 1.00 0.00 N ATOM 68 CA GLN A 6 -13.196 2.739 0.159 1.00 0.00 C ATOM 69 C GLN A 6 -11.789 3.102 -0.314 1.00 0.00 C ATOM 70 O GLN A 6 -10.991 3.651 0.447 1.00 0.00 O ATOM 71 CB GLN A 6 -13.169 1.405 0.908 1.00 0.00 C ATOM 72 CG GLN A 6 -12.602 0.256 0.088 1.00 0.00 C ATOM 73 CD GLN A 6 -12.829 -1.092 0.743 1.00 0.00 C ATOM 74 OE1 GLN A 6 -13.885 -1.704 0.579 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.838 -1.563 1.490 1.00 0.00 N ATOM 0 HA GLN A 6 -13.543 3.520 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.576 1.520 1.815 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.183 1.152 1.219 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.061 0.258 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.533 0.410 -0.057 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.980 -1.022 1.599 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.935 -2.466 1.955 1.00 0.00 H new ATOM 84 N GLN A 7 -11.494 2.795 -1.573 1.00 0.00 N ATOM 85 CA GLN A 7 -10.186 3.092 -2.147 1.00 0.00 C ATOM 86 C GLN A 7 -10.079 4.562 -2.535 1.00 0.00 C ATOM 87 O GLN A 7 -8.980 5.097 -2.683 1.00 0.00 O ATOM 88 CB GLN A 7 -9.934 2.219 -3.375 1.00 0.00 C ATOM 89 CG GLN A 7 -10.103 0.731 -3.110 1.00 0.00 C ATOM 90 CD GLN A 7 -11.538 0.268 -3.261 1.00 0.00 C ATOM 91 OE1 GLN A 7 -12.329 0.882 -3.978 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.882 -0.820 -2.583 1.00 0.00 N ATOM 0 H GLN A 7 -12.143 2.341 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.433 2.876 -1.389 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.618 2.518 -4.169 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.923 2.402 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.470 0.170 -3.798 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.757 0.504 -2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -11.194 -1.297 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -12.835 -1.179 -2.644 1.00 0.00 H new ATOM 101 N ALA A 8 -11.225 5.211 -2.700 1.00 0.00 N ATOM 102 CA ALA A 8 -11.255 6.616 -3.072 1.00 0.00 C ATOM 103 C ALA A 8 -11.088 7.505 -1.847 1.00 0.00 C ATOM 104 O ALA A 8 -10.250 8.407 -1.833 1.00 0.00 O ATOM 105 CB ALA A 8 -12.552 6.946 -3.796 1.00 0.00 C ATOM 0 H ALA A 8 -12.144 4.785 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.421 6.808 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.559 8.002 -4.068 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.630 6.339 -4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.398 6.734 -3.142 1.00 0.00 H new ATOM 111 N GLU A 9 -11.882 7.238 -0.813 1.00 0.00 N ATOM 112 CA GLU A 9 -11.808 8.010 0.422 1.00 0.00 C ATOM 113 C GLU A 9 -10.391 7.971 0.976 1.00 0.00 C ATOM 114 O GLU A 9 -9.878 8.970 1.476 1.00 0.00 O ATOM 115 CB GLU A 9 -12.792 7.459 1.457 1.00 0.00 C ATOM 116 CG GLU A 9 -14.217 7.345 0.942 1.00 0.00 C ATOM 117 CD GLU A 9 -15.085 8.512 1.368 1.00 0.00 C ATOM 118 OE1 GLU A 9 -14.573 9.650 1.407 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.278 8.289 1.664 1.00 0.00 O ATOM 0 H GLU A 9 -12.581 6.495 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.076 9.044 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.452 6.475 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.783 8.105 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.203 7.286 -0.146 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.658 6.417 1.306 1.00 0.00 H new ATOM 126 N ALA A 10 -9.762 6.803 0.866 1.00 0.00 N ATOM 127 CA ALA A 10 -8.396 6.603 1.334 1.00 0.00 C ATOM 128 C ALA A 10 -7.495 7.772 0.944 1.00 0.00 C ATOM 129 O ALA A 10 -6.898 8.422 1.802 1.00 0.00 O ATOM 130 CB ALA A 10 -7.850 5.308 0.759 1.00 0.00 C ATOM 0 H ALA A 10 -10.185 5.972 0.451 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.410 6.546 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.828 5.157 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.472 4.474 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.857 5.362 -0.330 1.00 0.00 H new ATOM 136 N ARG A 11 -7.406 8.032 -0.356 1.00 0.00 N ATOM 137 CA ARG A 11 -6.582 9.121 -0.867 1.00 0.00 C ATOM 138 C ARG A 11 -6.929 10.438 -0.176 1.00 0.00 C ATOM 139 O ARG A 11 -6.101 11.345 -0.093 1.00 0.00 O ATOM 140 CB ARG A 11 -6.764 9.255 -2.381 1.00 0.00 C ATOM 141 CG ARG A 11 -5.528 8.864 -3.177 1.00 0.00 C ATOM 142 CD ARG A 11 -5.720 9.113 -4.664 1.00 0.00 C ATOM 143 NE ARG A 11 -6.008 10.516 -4.952 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.079 11.468 -5.007 1.00 0.00 C ATOM 145 NH1 ARG A 11 -3.802 11.172 -4.795 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.427 12.719 -5.275 1.00 0.00 N ATOM 0 H ARG A 11 -7.896 7.502 -1.077 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.539 8.889 -0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.601 8.632 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.028 10.286 -2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.669 9.433 -2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.305 7.810 -3.010 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.821 8.810 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.537 8.492 -5.033 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.978 10.782 -5.121 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.529 10.211 -4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.094 11.905 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.406 12.952 -5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.715 13.448 -5.317 1.00 0.00 H new ATOM 160 N ALA A 12 -8.160 10.534 0.320 1.00 0.00 N ATOM 161 CA ALA A 12 -8.617 11.736 1.004 1.00 0.00 C ATOM 162 C ALA A 12 -8.497 11.591 2.520 1.00 0.00 C ATOM 163 O ALA A 12 -8.492 12.585 3.247 1.00 0.00 O ATOM 164 CB ALA A 12 -10.054 12.048 0.615 1.00 0.00 C ATOM 0 H ALA A 12 -8.858 9.792 0.260 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.978 12.563 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.384 12.949 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.113 12.206 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.696 11.213 0.895 1.00 0.00 H new ATOM 170 N PHE A 13 -8.403 10.351 2.994 1.00 0.00 N ATOM 171 CA PHE A 13 -8.288 10.088 4.424 1.00 0.00 C ATOM 172 C PHE A 13 -6.866 10.344 4.916 1.00 0.00 C ATOM 173 O PHE A 13 -6.648 10.622 6.094 1.00 0.00 O ATOM 174 CB PHE A 13 -8.700 8.647 4.734 1.00 0.00 C ATOM 175 CG PHE A 13 -9.774 8.544 5.780 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.452 8.571 7.127 1.00 0.00 C ATOM 177 CD2 PHE A 13 -11.105 8.420 5.414 1.00 0.00 C ATOM 178 CE1 PHE A 13 -10.438 8.476 8.091 1.00 0.00 C ATOM 179 CE2 PHE A 13 -12.095 8.325 6.373 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.761 8.353 7.713 1.00 0.00 C ATOM 0 H PHE A 13 -8.404 9.515 2.409 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.958 10.770 4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.050 8.172 3.817 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.824 8.090 5.067 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.419 8.667 7.427 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.371 8.397 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.175 8.498 9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -13.129 8.229 6.075 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.533 8.279 8.464 1.00 0.00 H new ATOM 190 N LEU A 14 -5.902 10.246 4.006 1.00 0.00 N ATOM 191 CA LEU A 14 -4.503 10.465 4.352 1.00 0.00 C ATOM 192 C LEU A 14 -4.007 11.800 3.808 1.00 0.00 C ATOM 193 O LEU A 14 -4.617 12.383 2.913 1.00 0.00 O ATOM 194 CB LEU A 14 -3.639 9.328 3.805 1.00 0.00 C ATOM 195 CG LEU A 14 -4.088 7.926 4.212 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.466 6.880 3.301 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.727 7.657 5.665 1.00 0.00 C ATOM 0 H LEU A 14 -6.064 10.017 3.025 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.424 10.486 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.630 9.389 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.613 9.477 4.141 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.171 7.865 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.798 5.888 3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.774 7.064 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.380 6.937 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.053 6.654 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.647 7.735 5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.222 8.388 6.304 1.00 0.00 H new ATOM 209 N SER A 15 -2.893 12.275 4.355 1.00 0.00 N ATOM 210 CA SER A 15 -2.308 13.539 3.924 1.00 0.00 C ATOM 211 C SER A 15 -1.522 13.353 2.634 1.00 0.00 C ATOM 212 O SER A 15 -1.150 12.234 2.281 1.00 0.00 O ATOM 213 CB SER A 15 -1.388 14.096 5.013 1.00 0.00 C ATOM 214 OG SER A 15 -1.481 15.508 5.086 1.00 0.00 O ATOM 0 H SER A 15 -2.377 11.803 5.098 1.00 0.00 H new ATOM 0 HA SER A 15 -3.118 14.246 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.654 13.661 5.976 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.358 13.806 4.806 1.00 0.00 H new ATOM 0 HG SER A 15 -0.885 15.839 5.790 1.00 0.00 H new ATOM 220 N GLU A 16 -1.254 14.455 1.938 1.00 0.00 N ATOM 221 CA GLU A 16 -0.492 14.400 0.695 1.00 0.00 C ATOM 222 C GLU A 16 0.791 13.600 0.901 1.00 0.00 C ATOM 223 O GLU A 16 1.316 12.990 -0.031 1.00 0.00 O ATOM 224 CB GLU A 16 -0.157 15.812 0.211 1.00 0.00 C ATOM 225 CG GLU A 16 -1.194 16.392 -0.736 1.00 0.00 C ATOM 226 CD GLU A 16 -0.909 17.836 -1.100 1.00 0.00 C ATOM 227 OE1 GLU A 16 0.210 18.119 -1.576 1.00 0.00 O ATOM 228 OE2 GLU A 16 -1.805 18.685 -0.906 1.00 0.00 O ATOM 0 H GLU A 16 -1.551 15.391 2.212 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.100 13.906 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.058 16.469 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.811 15.795 -0.290 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.226 15.792 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.179 16.325 -0.275 1.00 0.00 H new ATOM 235 N GLU A 17 1.279 13.603 2.138 1.00 0.00 N ATOM 236 CA GLU A 17 2.488 12.877 2.495 1.00 0.00 C ATOM 237 C GLU A 17 2.311 11.381 2.252 1.00 0.00 C ATOM 238 O GLU A 17 3.091 10.760 1.533 1.00 0.00 O ATOM 239 CB GLU A 17 2.831 13.131 3.964 1.00 0.00 C ATOM 240 CG GLU A 17 3.822 14.265 4.169 1.00 0.00 C ATOM 241 CD GLU A 17 3.141 15.596 4.423 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.107 15.867 3.775 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.641 16.367 5.268 1.00 0.00 O ATOM 0 H GLU A 17 0.849 14.106 2.914 1.00 0.00 H new ATOM 0 HA GLU A 17 3.305 13.233 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.914 13.357 4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.241 12.218 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.472 14.027 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.459 14.349 3.289 1.00 0.00 H new ATOM 250 N MET A 18 1.274 10.811 2.860 1.00 0.00 N ATOM 251 CA MET A 18 0.987 9.388 2.715 1.00 0.00 C ATOM 252 C MET A 18 0.729 9.025 1.251 1.00 0.00 C ATOM 253 O MET A 18 0.836 7.860 0.867 1.00 0.00 O ATOM 254 CB MET A 18 -0.218 9.001 3.577 1.00 0.00 C ATOM 255 CG MET A 18 0.007 7.758 4.426 1.00 0.00 C ATOM 256 SD MET A 18 0.985 8.087 5.908 1.00 0.00 S ATOM 257 CE MET A 18 0.614 6.638 6.898 1.00 0.00 C ATOM 0 H MET A 18 0.618 11.314 3.458 1.00 0.00 H new ATOM 0 HA MET A 18 1.860 8.830 3.054 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.468 9.836 4.231 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.078 8.836 2.929 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.958 7.344 4.718 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.510 7.000 3.826 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.394 6.499 7.647 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.346 6.773 7.395 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.569 5.759 6.254 1.00 0.00 H new ATOM 267 N ILE A 19 0.393 10.026 0.438 1.00 0.00 N ATOM 268 CA ILE A 19 0.128 9.802 -0.981 1.00 0.00 C ATOM 269 C ILE A 19 1.422 9.852 -1.787 1.00 0.00 C ATOM 270 O ILE A 19 1.837 8.854 -2.376 1.00 0.00 O ATOM 271 CB ILE A 19 -0.863 10.846 -1.543 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.276 10.564 -1.031 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.838 10.850 -3.069 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.285 11.616 -1.433 1.00 0.00 C ATOM 0 H ILE A 19 0.298 10.997 0.737 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.318 8.812 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.556 11.833 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.604 9.595 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.252 10.492 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.543 11.592 -3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.166 11.096 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.118 9.864 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.265 11.351 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.981 12.583 -1.033 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.338 11.673 -2.520 1.00 0.00 H new ATOM 286 N ALA A 20 2.057 11.019 -1.809 1.00 0.00 N ATOM 287 CA ALA A 20 3.306 11.198 -2.541 1.00 0.00 C ATOM 288 C ALA A 20 4.295 10.081 -2.216 1.00 0.00 C ATOM 289 O ALA A 20 5.159 9.745 -3.025 1.00 0.00 O ATOM 290 CB ALA A 20 3.909 12.556 -2.224 1.00 0.00 C ATOM 0 H ALA A 20 1.727 11.856 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 20 3.088 11.152 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.841 12.678 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.210 13.341 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.109 12.625 -1.155 1.00 0.00 H new ATOM 296 N GLU A 21 4.146 9.502 -1.029 1.00 0.00 N ATOM 297 CA GLU A 21 5.002 8.414 -0.590 1.00 0.00 C ATOM 298 C GLU A 21 4.417 7.077 -1.033 1.00 0.00 C ATOM 299 O GLU A 21 5.148 6.127 -1.313 1.00 0.00 O ATOM 300 CB GLU A 21 5.161 8.451 0.930 1.00 0.00 C ATOM 301 CG GLU A 21 5.676 9.781 1.455 1.00 0.00 C ATOM 302 CD GLU A 21 5.363 9.991 2.924 1.00 0.00 C ATOM 303 OE1 GLU A 21 5.640 9.073 3.726 1.00 0.00 O ATOM 304 OE2 GLU A 21 4.844 11.071 3.272 1.00 0.00 O ATOM 0 H GLU A 21 3.433 9.773 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 21 5.986 8.531 -1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.198 8.235 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.846 7.660 1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.755 9.832 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.235 10.591 0.874 1.00 0.00 H new ATOM 311 N PHE A 22 3.088 7.019 -1.112 1.00 0.00 N ATOM 312 CA PHE A 22 2.396 5.809 -1.542 1.00 0.00 C ATOM 313 C PHE A 22 2.834 5.437 -2.954 1.00 0.00 C ATOM 314 O PHE A 22 2.940 4.260 -3.299 1.00 0.00 O ATOM 315 CB PHE A 22 0.872 6.020 -1.477 1.00 0.00 C ATOM 316 CG PHE A 22 0.141 5.726 -2.763 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.245 6.582 -3.849 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.648 4.593 -2.883 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.423 6.313 -5.029 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.318 4.319 -4.060 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.205 5.180 -5.134 1.00 0.00 C ATOM 0 H PHE A 22 2.470 7.798 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 22 2.655 4.988 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.464 5.386 -0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.674 7.053 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.855 7.470 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.740 3.916 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.333 6.988 -5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.929 3.432 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.728 4.967 -6.055 1.00 0.00 H new ATOM 331 N LYS A 23 3.090 6.459 -3.762 1.00 0.00 N ATOM 332 CA LYS A 23 3.523 6.263 -5.136 1.00 0.00 C ATOM 333 C LYS A 23 4.972 5.781 -5.184 1.00 0.00 C ATOM 334 O LYS A 23 5.433 5.266 -6.204 1.00 0.00 O ATOM 335 CB LYS A 23 3.377 7.568 -5.920 1.00 0.00 C ATOM 336 CG LYS A 23 3.528 7.389 -7.420 1.00 0.00 C ATOM 337 CD LYS A 23 4.904 7.828 -7.901 1.00 0.00 C ATOM 338 CE LYS A 23 4.804 8.823 -9.046 1.00 0.00 C ATOM 339 NZ LYS A 23 6.054 9.616 -9.204 1.00 0.00 N ATOM 0 H LYS A 23 3.004 7.437 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 23 2.893 5.499 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.400 8.002 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.124 8.280 -5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.368 6.343 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.760 7.967 -7.935 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.453 8.278 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.473 6.956 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.593 8.290 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.966 9.497 -8.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.945 10.282 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.242 10.145 -8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.849 8.975 -9.399 1.00 0.00 H new ATOM 353 N ALA A 24 5.686 5.959 -4.075 1.00 0.00 N ATOM 354 CA ALA A 24 7.088 5.553 -3.977 1.00 0.00 C ATOM 355 C ALA A 24 7.330 4.157 -4.550 1.00 0.00 C ATOM 356 O ALA A 24 7.845 4.011 -5.658 1.00 0.00 O ATOM 357 CB ALA A 24 7.546 5.603 -2.527 1.00 0.00 C ATOM 0 H ALA A 24 5.315 6.385 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 24 7.670 6.256 -4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.591 5.299 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.440 6.619 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.935 4.927 -1.929 1.00 0.00 H new ATOM 363 N ALA A 25 6.975 3.135 -3.776 1.00 0.00 N ATOM 364 CA ALA A 25 7.171 1.750 -4.191 1.00 0.00 C ATOM 365 C ALA A 25 6.169 1.318 -5.262 1.00 0.00 C ATOM 366 O ALA A 25 6.231 0.190 -5.753 1.00 0.00 O ATOM 367 CB ALA A 25 7.085 0.832 -2.981 1.00 0.00 C ATOM 0 H ALA A 25 6.549 3.241 -2.855 1.00 0.00 H new ATOM 0 HA ALA A 25 8.163 1.676 -4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.232 -0.201 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.857 1.105 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.104 0.933 -2.516 1.00 0.00 H new ATOM 373 N PHE A 26 5.247 2.208 -5.624 1.00 0.00 N ATOM 374 CA PHE A 26 4.243 1.896 -6.639 1.00 0.00 C ATOM 375 C PHE A 26 4.890 1.347 -7.908 1.00 0.00 C ATOM 376 O PHE A 26 4.265 0.598 -8.659 1.00 0.00 O ATOM 377 CB PHE A 26 3.422 3.143 -6.971 1.00 0.00 C ATOM 378 CG PHE A 26 2.086 2.833 -7.585 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.012 2.467 -6.788 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.904 2.909 -8.956 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.218 2.182 -7.349 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.676 2.625 -9.522 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.387 2.261 -8.718 1.00 0.00 C ATOM 0 H PHE A 26 5.174 3.147 -5.232 1.00 0.00 H new ATOM 0 HA PHE A 26 3.584 1.128 -6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.269 3.721 -6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.991 3.772 -7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.138 2.404 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.731 3.193 -9.590 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.047 1.898 -6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.547 2.688 -10.592 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.348 2.039 -9.159 1.00 0.00 H new ATOM 393 N ASP A 27 6.143 1.724 -8.143 1.00 0.00 N ATOM 394 CA ASP A 27 6.869 1.266 -9.323 1.00 0.00 C ATOM 395 C ASP A 27 7.509 -0.097 -9.075 1.00 0.00 C ATOM 396 O ASP A 27 7.196 -1.073 -9.758 1.00 0.00 O ATOM 397 CB ASP A 27 7.945 2.282 -9.712 1.00 0.00 C ATOM 398 CG ASP A 27 8.548 1.992 -11.072 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.784 1.658 -12.002 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.785 2.099 -11.208 1.00 0.00 O ATOM 0 H ASP A 27 6.676 2.344 -7.533 1.00 0.00 H new ATOM 0 HA ASP A 27 6.156 1.169 -10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.512 3.282 -9.715 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.734 2.278 -8.960 1.00 0.00 H new ATOM 405 N MET A 28 8.406 -0.157 -8.096 1.00 0.00 N ATOM 406 CA MET A 28 9.090 -1.401 -7.759 1.00 0.00 C ATOM 407 C MET A 28 8.089 -2.494 -7.394 1.00 0.00 C ATOM 408 O MET A 28 8.371 -3.682 -7.547 1.00 0.00 O ATOM 409 CB MET A 28 10.061 -1.174 -6.599 1.00 0.00 C ATOM 410 CG MET A 28 11.475 -0.839 -7.046 1.00 0.00 C ATOM 411 SD MET A 28 11.782 0.937 -7.101 1.00 0.00 S ATOM 412 CE MET A 28 13.560 0.979 -6.896 1.00 0.00 C ATOM 0 H MET A 28 8.676 0.641 -7.522 1.00 0.00 H new ATOM 0 HA MET A 28 9.650 -1.727 -8.635 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.685 -0.364 -5.974 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.088 -2.069 -5.978 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.187 -1.306 -6.366 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.650 -1.265 -8.034 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.893 2.014 -6.820 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.834 0.442 -5.988 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.037 0.507 -7.755 1.00 0.00 H new ATOM 422 N PHE A 29 6.919 -2.085 -6.911 1.00 0.00 N ATOM 423 CA PHE A 29 5.876 -3.029 -6.524 1.00 0.00 C ATOM 424 C PHE A 29 5.519 -3.956 -7.682 1.00 0.00 C ATOM 425 O PHE A 29 5.771 -5.160 -7.627 1.00 0.00 O ATOM 426 CB PHE A 29 4.628 -2.276 -6.059 1.00 0.00 C ATOM 427 CG PHE A 29 4.580 -2.053 -4.575 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.802 -3.100 -3.696 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.310 -0.796 -4.059 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.757 -2.896 -2.331 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.264 -0.587 -2.695 1.00 0.00 C ATOM 432 CZ PHE A 29 4.488 -1.640 -1.829 1.00 0.00 C ATOM 0 H PHE A 29 6.670 -1.105 -6.778 1.00 0.00 H new ATOM 0 HA PHE A 29 6.258 -3.635 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.586 -1.311 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.742 -2.834 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.013 -4.086 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.133 0.030 -4.732 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.933 -3.721 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.053 0.398 -2.306 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.453 -1.480 -0.762 1.00 0.00 H new ATOM 442 N ASP A 30 4.925 -3.388 -8.726 1.00 0.00 N ATOM 443 CA ASP A 30 4.528 -4.162 -9.894 1.00 0.00 C ATOM 444 C ASP A 30 5.723 -4.873 -10.515 1.00 0.00 C ATOM 445 O ASP A 30 6.689 -4.238 -10.937 1.00 0.00 O ATOM 446 CB ASP A 30 3.865 -3.257 -10.933 1.00 0.00 C ATOM 447 CG ASP A 30 2.418 -2.957 -10.598 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.659 -3.913 -10.335 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.043 -1.765 -10.598 1.00 0.00 O ATOM 0 H ASP A 30 4.708 -2.393 -8.786 1.00 0.00 H new ATOM 0 HA ASP A 30 3.812 -4.916 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.420 -2.322 -11.003 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.917 -3.733 -11.912 1.00 0.00 H new ATOM 454 N ALA A 31 5.645 -6.195 -10.567 1.00 0.00 N ATOM 455 CA ALA A 31 6.713 -7.006 -11.137 1.00 0.00 C ATOM 456 C ALA A 31 6.443 -7.305 -12.606 1.00 0.00 C ATOM 457 O ALA A 31 7.322 -7.153 -13.455 1.00 0.00 O ATOM 458 CB ALA A 31 6.864 -8.300 -10.354 1.00 0.00 C ATOM 0 H ALA A 31 4.850 -6.731 -10.220 1.00 0.00 H new ATOM 0 HA ALA A 31 7.644 -6.442 -11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.665 -8.897 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.105 -8.071 -9.316 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.930 -8.861 -10.394 1.00 0.00 H new ATOM 464 N ASP A 32 5.220 -7.731 -12.898 1.00 0.00 N ATOM 465 CA ASP A 32 4.825 -8.050 -14.264 1.00 0.00 C ATOM 466 C ASP A 32 4.182 -6.843 -14.941 1.00 0.00 C ATOM 467 O ASP A 32 4.190 -6.727 -16.166 1.00 0.00 O ATOM 468 CB ASP A 32 3.852 -9.231 -14.272 1.00 0.00 C ATOM 469 CG ASP A 32 2.609 -8.963 -13.446 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.705 -8.200 -12.461 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.541 -9.515 -13.783 1.00 0.00 O ATOM 0 H ASP A 32 4.483 -7.864 -12.205 1.00 0.00 H new ATOM 0 HA ASP A 32 5.722 -8.322 -14.821 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.561 -9.452 -15.299 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.357 -10.117 -13.886 1.00 0.00 H new ATOM 497 N ASP A 36 -1.841 -6.611 -10.118 1.00 0.00 N ATOM 498 CA ASP A 36 -1.758 -5.754 -8.940 1.00 0.00 C ATOM 499 C ASP A 36 -0.703 -6.270 -7.967 1.00 0.00 C ATOM 500 O ASP A 36 0.016 -7.226 -8.264 1.00 0.00 O ATOM 501 CB ASP A 36 -3.117 -5.681 -8.244 1.00 0.00 C ATOM 502 CG ASP A 36 -4.021 -4.633 -8.858 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.495 -3.668 -9.451 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.257 -4.777 -8.748 1.00 0.00 O ATOM 0 HA ASP A 36 -1.469 -4.755 -9.265 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.604 -6.655 -8.299 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.970 -5.457 -7.187 1.00 0.00 H new ATOM 509 N ILE A 37 -0.614 -5.632 -6.807 1.00 0.00 N ATOM 510 CA ILE A 37 0.351 -6.024 -5.790 1.00 0.00 C ATOM 511 C ILE A 37 -0.177 -7.181 -4.947 1.00 0.00 C ATOM 512 O ILE A 37 -1.176 -7.044 -4.241 1.00 0.00 O ATOM 513 CB ILE A 37 0.698 -4.837 -4.868 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.260 -3.677 -5.693 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.687 -5.257 -3.788 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.656 -2.480 -4.859 1.00 0.00 C ATOM 0 H ILE A 37 -1.200 -4.839 -6.547 1.00 0.00 H new ATOM 0 HA ILE A 37 1.253 -6.347 -6.310 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.215 -4.506 -4.374 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.130 -4.026 -6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.515 -3.368 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.915 -4.402 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.250 -6.053 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.604 -5.617 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.046 -1.697 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.784 -2.106 -4.322 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.424 -2.773 -4.143 1.00 0.00 H new ATOM 528 N SER A 38 0.504 -8.320 -5.025 1.00 0.00 N ATOM 529 CA SER A 38 0.109 -9.501 -4.269 1.00 0.00 C ATOM 530 C SER A 38 0.933 -9.626 -2.990 1.00 0.00 C ATOM 531 O SER A 38 1.589 -8.673 -2.569 1.00 0.00 O ATOM 532 CB SER A 38 0.276 -10.759 -5.126 1.00 0.00 C ATOM 533 OG SER A 38 1.643 -11.110 -5.254 1.00 0.00 O ATOM 0 H SER A 38 1.333 -8.449 -5.605 1.00 0.00 H new ATOM 0 HA SER A 38 -0.941 -9.395 -3.994 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.274 -11.585 -4.676 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.154 -10.590 -6.113 1.00 0.00 H new ATOM 0 HG SER A 38 1.723 -11.917 -5.804 1.00 0.00 H new ATOM 539 N THR A 39 0.894 -10.804 -2.375 1.00 0.00 N ATOM 540 CA THR A 39 1.636 -11.049 -1.143 1.00 0.00 C ATOM 541 C THR A 39 3.141 -11.036 -1.398 1.00 0.00 C ATOM 542 O THR A 39 3.927 -10.698 -0.514 1.00 0.00 O ATOM 543 CB THR A 39 1.222 -12.389 -0.534 1.00 0.00 C ATOM 544 OG1 THR A 39 1.222 -13.408 -1.516 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.152 -12.361 0.100 1.00 0.00 C ATOM 0 H THR A 39 0.357 -11.604 -2.710 1.00 0.00 H new ATOM 0 HA THR A 39 1.400 -10.249 -0.442 1.00 0.00 H new ATOM 0 HB THR A 39 1.958 -12.591 0.244 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.956 -14.257 -1.106 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.383 -13.343 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.169 -11.619 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.895 -12.100 -0.654 1.00 0.00 H new ATOM 553 N LYS A 40 3.536 -11.411 -2.611 1.00 0.00 N ATOM 554 CA LYS A 40 4.948 -11.445 -2.978 1.00 0.00 C ATOM 555 C LYS A 40 5.445 -10.058 -3.374 1.00 0.00 C ATOM 556 O LYS A 40 6.532 -9.641 -2.972 1.00 0.00 O ATOM 557 CB LYS A 40 5.171 -12.427 -4.130 1.00 0.00 C ATOM 558 CG LYS A 40 5.204 -13.882 -3.689 1.00 0.00 C ATOM 559 CD LYS A 40 6.140 -14.706 -4.559 1.00 0.00 C ATOM 560 CE LYS A 40 5.546 -14.953 -5.938 1.00 0.00 C ATOM 561 NZ LYS A 40 6.590 -15.320 -6.935 1.00 0.00 N ATOM 0 H LYS A 40 2.899 -11.695 -3.356 1.00 0.00 H new ATOM 0 HA LYS A 40 5.515 -11.777 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.378 -12.297 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.111 -12.185 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.526 -13.941 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.199 -14.301 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.094 -14.189 -4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.344 -15.660 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.806 -15.751 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.022 -14.058 -6.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.145 -15.480 -7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.283 -14.548 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.073 -16.189 -6.628 1.00 0.00 H new ATOM 575 N GLU A 41 4.645 -9.348 -4.164 1.00 0.00 N ATOM 576 CA GLU A 41 5.006 -8.008 -4.615 1.00 0.00 C ATOM 577 C GLU A 41 5.281 -7.082 -3.433 1.00 0.00 C ATOM 578 O GLU A 41 5.975 -6.075 -3.572 1.00 0.00 O ATOM 579 CB GLU A 41 3.892 -7.422 -5.484 1.00 0.00 C ATOM 580 CG GLU A 41 3.751 -8.103 -6.835 1.00 0.00 C ATOM 581 CD GLU A 41 3.510 -7.119 -7.963 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.977 -6.022 -7.691 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.855 -7.445 -9.118 1.00 0.00 O ATOM 0 H GLU A 41 3.742 -9.678 -4.505 1.00 0.00 H new ATOM 0 HA GLU A 41 5.918 -8.090 -5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.946 -7.499 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.085 -6.361 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.654 -8.676 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.925 -8.813 -6.795 1.00 0.00 H new ATOM 590 N LEU A 42 4.730 -7.423 -2.271 1.00 0.00 N ATOM 591 CA LEU A 42 4.916 -6.613 -1.074 1.00 0.00 C ATOM 592 C LEU A 42 6.267 -6.894 -0.422 1.00 0.00 C ATOM 593 O LEU A 42 7.087 -5.990 -0.259 1.00 0.00 O ATOM 594 CB LEU A 42 3.785 -6.869 -0.077 1.00 0.00 C ATOM 595 CG LEU A 42 3.134 -5.608 0.491 1.00 0.00 C ATOM 596 CD1 LEU A 42 4.175 -4.727 1.164 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.415 -4.840 -0.608 1.00 0.00 C ATOM 0 H LEU A 42 4.153 -8.253 -2.135 1.00 0.00 H new ATOM 0 HA LEU A 42 4.895 -5.565 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.017 -7.469 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.175 -7.463 0.749 1.00 0.00 H new ATOM 0 HG LEU A 42 2.400 -5.906 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.693 -3.834 1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.647 -5.278 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.932 -4.437 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.957 -3.945 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.130 -4.553 -1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.642 -5.471 -1.047 1.00 0.00 H new ATOM 609 N GLY A 43 6.494 -8.150 -0.049 1.00 0.00 N ATOM 610 CA GLY A 43 7.749 -8.524 0.581 1.00 0.00 C ATOM 611 C GLY A 43 8.959 -8.039 -0.194 1.00 0.00 C ATOM 612 O GLY A 43 10.028 -7.828 0.377 1.00 0.00 O ATOM 0 H GLY A 43 5.832 -8.916 -0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.781 -8.114 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.794 -9.609 0.676 1.00 0.00 H new ATOM 616 N THR A 44 8.788 -7.861 -1.500 1.00 0.00 N ATOM 617 CA THR A 44 9.870 -7.399 -2.362 1.00 0.00 C ATOM 618 C THR A 44 10.415 -6.052 -1.884 1.00 0.00 C ATOM 619 O THR A 44 11.487 -5.978 -1.285 1.00 0.00 O ATOM 620 CB THR A 44 9.370 -7.292 -3.812 1.00 0.00 C ATOM 621 OG1 THR A 44 9.504 -8.535 -4.477 1.00 0.00 O ATOM 622 CG2 THR A 44 10.094 -6.250 -4.643 1.00 0.00 C ATOM 0 H THR A 44 7.907 -8.030 -1.986 1.00 0.00 H new ATOM 0 HA THR A 44 10.683 -8.124 -2.317 1.00 0.00 H new ATOM 0 HB THR A 44 8.327 -6.989 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.180 -8.450 -5.398 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.681 -6.238 -5.652 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.966 -5.268 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.155 -6.494 -4.688 1.00 0.00 H new ATOM 630 N VAL A 45 9.670 -4.992 -2.172 1.00 0.00 N ATOM 631 CA VAL A 45 10.067 -3.641 -1.795 1.00 0.00 C ATOM 632 C VAL A 45 10.168 -3.483 -0.279 1.00 0.00 C ATOM 633 O VAL A 45 10.936 -2.658 0.215 1.00 0.00 O ATOM 634 CB VAL A 45 9.067 -2.610 -2.348 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.668 -2.903 -1.832 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.493 -1.192 -1.995 1.00 0.00 C ATOM 0 H VAL A 45 8.781 -5.043 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 45 11.052 -3.464 -2.226 1.00 0.00 H new ATOM 0 HB VAL A 45 9.056 -2.690 -3.435 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.971 -2.166 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.364 -3.900 -2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.664 -2.854 -0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.769 -0.484 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.541 -1.086 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.475 -0.990 -2.423 1.00 0.00 H new ATOM 646 N MET A 46 9.387 -4.269 0.452 1.00 0.00 N ATOM 647 CA MET A 46 9.391 -4.202 1.909 1.00 0.00 C ATOM 648 C MET A 46 10.665 -4.813 2.489 1.00 0.00 C ATOM 649 O MET A 46 11.134 -4.399 3.549 1.00 0.00 O ATOM 650 CB MET A 46 8.166 -4.922 2.479 1.00 0.00 C ATOM 651 CG MET A 46 6.956 -4.018 2.658 1.00 0.00 C ATOM 652 SD MET A 46 7.265 -2.661 3.805 1.00 0.00 S ATOM 653 CE MET A 46 5.646 -2.470 4.549 1.00 0.00 C ATOM 0 H MET A 46 8.744 -4.958 0.062 1.00 0.00 H new ATOM 0 HA MET A 46 9.355 -3.150 2.192 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.899 -5.746 1.817 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.428 -5.359 3.442 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.665 -3.611 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.116 -4.610 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.676 -1.665 5.283 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.916 -2.229 3.776 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.360 -3.400 5.041 1.00 0.00 H new ATOM 663 N ARG A 47 11.217 -5.803 1.794 1.00 0.00 N ATOM 664 CA ARG A 47 12.430 -6.473 2.252 1.00 0.00 C ATOM 665 C ARG A 47 13.686 -5.736 1.792 1.00 0.00 C ATOM 666 O ARG A 47 14.716 -5.772 2.466 1.00 0.00 O ATOM 667 CB ARG A 47 12.463 -7.917 1.746 1.00 0.00 C ATOM 668 CG ARG A 47 11.487 -8.834 2.465 1.00 0.00 C ATOM 669 CD ARG A 47 11.328 -10.159 1.736 1.00 0.00 C ATOM 670 NE ARG A 47 10.476 -11.088 2.473 1.00 0.00 N ATOM 671 CZ ARG A 47 10.855 -11.724 3.579 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.069 -11.533 4.080 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.017 -12.552 4.188 1.00 0.00 N ATOM 0 H ARG A 47 10.845 -6.159 0.913 1.00 0.00 H new ATOM 0 HA ARG A 47 12.415 -6.471 3.342 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.238 -7.925 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.473 -8.311 1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.838 -9.016 3.481 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.517 -8.343 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.902 -9.981 0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.309 -10.609 1.583 1.00 0.00 H new ATOM 0 HE ARG A 47 9.535 -11.260 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.717 -10.896 3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.354 -12.023 4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.082 -12.701 3.809 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.308 -13.039 5.036 1.00 0.00 H new ATOM 687 N MET A 48 13.600 -5.071 0.645 1.00 0.00 N ATOM 688 CA MET A 48 14.738 -4.334 0.107 1.00 0.00 C ATOM 689 C MET A 48 14.751 -2.888 0.601 1.00 0.00 C ATOM 690 O MET A 48 15.524 -2.065 0.111 1.00 0.00 O ATOM 691 CB MET A 48 14.717 -4.363 -1.421 1.00 0.00 C ATOM 692 CG MET A 48 13.487 -3.704 -2.024 1.00 0.00 C ATOM 693 SD MET A 48 13.896 -2.484 -3.288 1.00 0.00 S ATOM 694 CE MET A 48 12.475 -1.400 -3.179 1.00 0.00 C ATOM 0 H MET A 48 12.758 -5.027 0.072 1.00 0.00 H new ATOM 0 HA MET A 48 15.646 -4.822 0.462 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.609 -3.863 -1.798 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.766 -5.399 -1.757 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.846 -4.471 -2.460 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.914 -3.222 -1.232 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.587 -0.581 -3.889 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.570 -1.961 -3.412 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.401 -0.997 -2.169 1.00 0.00 H new ATOM 704 N LEU A 49 13.893 -2.582 1.571 1.00 0.00 N ATOM 705 CA LEU A 49 13.814 -1.233 2.120 1.00 0.00 C ATOM 706 C LEU A 49 14.136 -1.230 3.612 1.00 0.00 C ATOM 707 O LEU A 49 14.796 -0.320 4.111 1.00 0.00 O ATOM 708 CB LEU A 49 12.423 -0.646 1.883 1.00 0.00 C ATOM 709 CG LEU A 49 12.213 -0.030 0.501 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.804 0.526 0.373 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.246 1.057 0.241 1.00 0.00 C ATOM 0 H LEU A 49 13.245 -3.248 1.991 1.00 0.00 H new ATOM 0 HA LEU A 49 14.553 -0.616 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.683 -1.432 2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.233 0.117 2.638 1.00 0.00 H new ATOM 0 HG LEU A 49 12.341 -0.811 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.673 0.961 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 49 10.081 -0.278 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.646 1.294 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.082 1.485 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.150 1.838 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.246 0.627 0.289 1.00 0.00 H new ATOM 723 N GLY A 50 13.664 -2.252 4.319 1.00 0.00 N ATOM 724 CA GLY A 50 13.915 -2.344 5.745 1.00 0.00 C ATOM 725 C GLY A 50 12.924 -3.244 6.455 1.00 0.00 C ATOM 726 O GLY A 50 13.278 -3.940 7.406 1.00 0.00 O ATOM 0 H GLY A 50 13.113 -3.017 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.924 -2.721 5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.872 -1.347 6.183 1.00 0.00 H new ATOM 730 N GLN A 51 11.677 -3.230 5.994 1.00 0.00 N ATOM 731 CA GLN A 51 10.633 -4.052 6.595 1.00 0.00 C ATOM 732 C GLN A 51 10.891 -5.533 6.342 1.00 0.00 C ATOM 733 O GLN A 51 11.640 -5.898 5.435 1.00 0.00 O ATOM 734 CB GLN A 51 9.263 -3.658 6.040 1.00 0.00 C ATOM 735 CG GLN A 51 8.171 -3.608 7.095 1.00 0.00 C ATOM 736 CD GLN A 51 8.277 -2.386 7.985 1.00 0.00 C ATOM 737 OE1 GLN A 51 9.325 -2.123 8.575 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.189 -1.631 8.088 1.00 0.00 N ATOM 0 H GLN A 51 11.366 -2.660 5.208 1.00 0.00 H new ATOM 0 HA GLN A 51 10.645 -3.880 7.671 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.341 -2.681 5.563 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.976 -4.369 5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.197 -3.613 6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.223 -4.507 7.710 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.341 -1.886 7.581 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.201 -0.796 8.674 1.00 0.00 H new ATOM 747 N ASN A 52 10.270 -6.384 7.152 1.00 0.00 N ATOM 748 CA ASN A 52 10.435 -7.825 7.014 1.00 0.00 C ATOM 749 C ASN A 52 9.133 -8.559 7.331 1.00 0.00 C ATOM 750 O ASN A 52 9.115 -9.489 8.138 1.00 0.00 O ATOM 751 CB ASN A 52 11.549 -8.317 7.936 1.00 0.00 C ATOM 752 CG ASN A 52 12.091 -9.669 7.519 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.842 -9.778 6.551 1.00 0.00 O ATOM 754 ND2 ASN A 52 11.709 -10.711 8.250 1.00 0.00 N ATOM 0 H ASN A 52 9.649 -6.100 7.910 1.00 0.00 H new ATOM 0 HA ASN A 52 10.705 -8.038 5.980 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.361 -7.589 7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.171 -8.379 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.040 -11.647 8.016 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.085 -10.575 9.045 1.00 0.00 H new ATOM 761 N PRO A 53 8.021 -8.152 6.696 1.00 0.00 N ATOM 762 CA PRO A 53 6.714 -8.778 6.916 1.00 0.00 C ATOM 763 C PRO A 53 6.637 -10.175 6.308 1.00 0.00 C ATOM 764 O PRO A 53 6.667 -10.335 5.088 1.00 0.00 O ATOM 765 CB PRO A 53 5.745 -7.830 6.209 1.00 0.00 C ATOM 766 CG PRO A 53 6.563 -7.181 5.147 1.00 0.00 C ATOM 767 CD PRO A 53 7.949 -7.051 5.716 1.00 0.00 C ATOM 0 HA PRO A 53 6.497 -8.916 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.900 -8.371 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.336 -7.093 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.569 -7.781 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.156 -6.205 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.711 -7.150 4.943 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.100 -6.081 6.190 1.00 0.00 H new ATOM 775 N THR A 54 6.540 -11.184 7.169 1.00 0.00 N ATOM 776 CA THR A 54 6.460 -12.570 6.720 1.00 0.00 C ATOM 777 C THR A 54 5.293 -12.770 5.758 1.00 0.00 C ATOM 778 O THR A 54 4.505 -11.854 5.523 1.00 0.00 O ATOM 779 CB THR A 54 6.313 -13.508 7.919 1.00 0.00 C ATOM 780 OG1 THR A 54 5.264 -13.077 8.766 1.00 0.00 O ATOM 781 CG2 THR A 54 7.568 -13.609 8.758 1.00 0.00 C ATOM 0 H THR A 54 6.515 -11.067 8.182 1.00 0.00 H new ATOM 0 HA THR A 54 7.384 -12.805 6.192 1.00 0.00 H new ATOM 0 HB THR A 54 6.100 -14.489 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.184 -13.690 9.526 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.395 -14.290 9.591 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.386 -13.987 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.828 -12.623 9.143 1.00 0.00 H new ATOM 789 N LYS A 55 5.189 -13.974 5.204 1.00 0.00 N ATOM 790 CA LYS A 55 4.119 -14.297 4.268 1.00 0.00 C ATOM 791 C LYS A 55 2.752 -14.091 4.911 1.00 0.00 C ATOM 792 O LYS A 55 1.873 -13.450 4.336 1.00 0.00 O ATOM 793 CB LYS A 55 4.256 -15.742 3.783 1.00 0.00 C ATOM 794 CG LYS A 55 3.317 -16.090 2.639 1.00 0.00 C ATOM 795 CD LYS A 55 3.974 -15.862 1.288 1.00 0.00 C ATOM 796 CE LYS A 55 3.486 -14.576 0.640 1.00 0.00 C ATOM 797 NZ LYS A 55 3.841 -14.511 -0.805 1.00 0.00 N ATOM 0 H LYS A 55 5.834 -14.743 5.388 1.00 0.00 H new ATOM 0 HA LYS A 55 4.203 -13.625 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.284 -15.914 3.464 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.065 -16.417 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.010 -17.132 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.414 -15.485 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.056 -15.820 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.760 -16.705 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.404 -14.501 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.920 -13.721 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.673 -13.900 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.057 -15.467 -1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.041 -14.120 -1.342 1.00 0.00 H new ATOM 811 N CYS A 56 2.581 -14.638 6.111 1.00 0.00 N ATOM 812 CA CYS A 56 1.321 -14.513 6.834 1.00 0.00 C ATOM 813 C CYS A 56 1.006 -13.050 7.123 1.00 0.00 C ATOM 814 O CYS A 56 -0.152 -12.634 7.086 1.00 0.00 O ATOM 815 CB CYS A 56 1.379 -15.303 8.143 1.00 0.00 C ATOM 816 SG CYS A 56 0.833 -17.019 7.992 1.00 0.00 S ATOM 0 H CYS A 56 3.298 -15.171 6.602 1.00 0.00 H new ATOM 0 HA CYS A 56 0.528 -14.921 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.402 -15.290 8.518 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.761 -14.800 8.886 1.00 0.00 H new ATOM 0 HG CYS A 56 0.920 -17.605 9.149 1.00 0.00 H new ATOM 822 N GLU A 57 2.046 -12.273 7.412 1.00 0.00 N ATOM 823 CA GLU A 57 1.882 -10.853 7.707 1.00 0.00 C ATOM 824 C GLU A 57 1.210 -10.130 6.546 1.00 0.00 C ATOM 825 O GLU A 57 0.136 -9.549 6.700 1.00 0.00 O ATOM 826 CB GLU A 57 3.241 -10.215 8.006 1.00 0.00 C ATOM 827 CG GLU A 57 3.253 -9.393 9.284 1.00 0.00 C ATOM 828 CD GLU A 57 4.632 -8.863 9.625 1.00 0.00 C ATOM 829 OE1 GLU A 57 5.541 -9.685 9.867 1.00 0.00 O ATOM 830 OE2 GLU A 57 4.803 -7.627 9.648 1.00 0.00 O ATOM 0 H GLU A 57 3.011 -12.602 7.448 1.00 0.00 H new ATOM 0 HA GLU A 57 1.243 -10.760 8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.994 -11.000 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.527 -9.577 7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.562 -8.556 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.889 -10.006 10.109 1.00 0.00 H new ATOM 837 N LEU A 58 1.851 -10.170 5.383 1.00 0.00 N ATOM 838 CA LEU A 58 1.316 -9.519 4.194 1.00 0.00 C ATOM 839 C LEU A 58 0.014 -10.182 3.757 1.00 0.00 C ATOM 840 O LEU A 58 -0.878 -9.527 3.219 1.00 0.00 O ATOM 841 CB LEU A 58 2.341 -9.563 3.059 1.00 0.00 C ATOM 842 CG LEU A 58 3.756 -9.132 3.452 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.789 -9.806 2.563 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.893 -7.618 3.375 1.00 0.00 C ATOM 0 H LEU A 58 2.741 -10.646 5.239 1.00 0.00 H new ATOM 0 HA LEU A 58 1.106 -8.477 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.382 -10.579 2.665 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.993 -8.921 2.250 1.00 0.00 H new ATOM 0 HG LEU A 58 3.935 -9.443 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.788 -9.486 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.709 -10.888 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.612 -9.528 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.905 -7.329 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.692 -7.286 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.180 -7.153 4.056 1.00 0.00 H new ATOM 856 N ASP A 59 -0.092 -11.485 4.000 1.00 0.00 N ATOM 857 CA ASP A 59 -1.290 -12.236 3.641 1.00 0.00 C ATOM 858 C ASP A 59 -2.448 -11.873 4.559 1.00 0.00 C ATOM 859 O ASP A 59 -3.613 -12.002 4.183 1.00 0.00 O ATOM 860 CB ASP A 59 -1.017 -13.739 3.709 1.00 0.00 C ATOM 861 CG ASP A 59 -2.204 -14.563 3.251 1.00 0.00 C ATOM 862 OD1 ASP A 59 -2.450 -14.620 2.028 1.00 0.00 O ATOM 863 OD2 ASP A 59 -2.888 -15.151 4.114 1.00 0.00 O ATOM 0 H ASP A 59 0.638 -12.043 4.444 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.563 -11.974 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.152 -13.977 3.089 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.761 -14.013 4.732 1.00 0.00 H new ATOM 868 N ALA A 60 -2.125 -11.411 5.761 1.00 0.00 N ATOM 869 CA ALA A 60 -3.145 -11.025 6.719 1.00 0.00 C ATOM 870 C ALA A 60 -3.729 -9.662 6.365 1.00 0.00 C ATOM 871 O ALA A 60 -4.903 -9.391 6.620 1.00 0.00 O ATOM 872 CB ALA A 60 -2.576 -11.013 8.130 1.00 0.00 C ATOM 0 H ALA A 60 -1.167 -11.296 6.092 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.948 -11.761 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.355 -10.721 8.834 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.212 -12.008 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.753 -10.301 8.184 1.00 0.00 H new ATOM 878 N ILE A 61 -2.902 -8.812 5.764 1.00 0.00 N ATOM 879 CA ILE A 61 -3.333 -7.483 5.362 1.00 0.00 C ATOM 880 C ILE A 61 -4.115 -7.553 4.052 1.00 0.00 C ATOM 881 O ILE A 61 -5.286 -7.182 3.999 1.00 0.00 O ATOM 882 CB ILE A 61 -2.124 -6.532 5.207 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.630 -6.077 6.581 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.482 -5.327 4.348 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.485 -6.909 7.117 1.00 0.00 C ATOM 0 H ILE A 61 -1.928 -9.023 5.546 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.982 -7.088 6.143 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.324 -7.078 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.314 -5.036 6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.459 -6.116 7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.613 -4.675 4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.789 -5.664 3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.300 -4.778 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.186 -6.530 8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.803 -7.947 7.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.360 -6.850 6.431 1.00 0.00 H new ATOM 897 N ILE A 62 -3.460 -8.042 2.998 1.00 0.00 N ATOM 898 CA ILE A 62 -4.095 -8.171 1.688 1.00 0.00 C ATOM 899 C ILE A 62 -5.489 -8.781 1.813 1.00 0.00 C ATOM 900 O ILE A 62 -6.439 -8.319 1.181 1.00 0.00 O ATOM 901 CB ILE A 62 -3.244 -9.039 0.737 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.896 -8.363 0.476 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.984 -9.290 -0.573 1.00 0.00 C ATOM 904 CD1 ILE A 62 -1.037 -9.097 -0.529 1.00 0.00 C ATOM 0 H ILE A 62 -2.490 -8.355 3.027 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.179 -7.167 1.272 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.065 -10.004 1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.071 -7.348 0.120 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.351 -8.281 1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.366 -9.904 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.921 -9.808 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.195 -8.338 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.097 -8.561 -0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.832 -10.104 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.562 -9.156 -1.482 1.00 0.00 H new ATOM 916 N CYS A 63 -5.604 -9.818 2.638 1.00 0.00 N ATOM 917 CA CYS A 63 -6.883 -10.485 2.850 1.00 0.00 C ATOM 918 C CYS A 63 -7.926 -9.489 3.346 1.00 0.00 C ATOM 919 O CYS A 63 -9.108 -9.595 3.017 1.00 0.00 O ATOM 920 CB CYS A 63 -6.725 -11.627 3.855 1.00 0.00 C ATOM 921 SG CYS A 63 -8.045 -12.861 3.783 1.00 0.00 S ATOM 0 H CYS A 63 -4.828 -10.213 3.169 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.220 -10.898 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.770 -12.122 3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.687 -11.209 4.861 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.822 -13.787 4.668 1.00 0.00 H new ATOM 927 N GLU A 64 -7.474 -8.514 4.128 1.00 0.00 N ATOM 928 CA GLU A 64 -8.359 -7.487 4.661 1.00 0.00 C ATOM 929 C GLU A 64 -8.514 -6.352 3.654 1.00 0.00 C ATOM 930 O GLU A 64 -9.589 -5.769 3.519 1.00 0.00 O ATOM 931 CB GLU A 64 -7.815 -6.945 5.984 1.00 0.00 C ATOM 932 CG GLU A 64 -8.855 -6.214 6.816 1.00 0.00 C ATOM 933 CD GLU A 64 -8.568 -6.284 8.303 1.00 0.00 C ATOM 934 OE1 GLU A 64 -7.553 -5.702 8.739 1.00 0.00 O ATOM 935 OE2 GLU A 64 -9.357 -6.922 9.031 1.00 0.00 O ATOM 0 H GLU A 64 -6.498 -8.414 4.407 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.336 -7.933 4.844 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.411 -7.773 6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.987 -6.268 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.894 -5.170 6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.838 -6.642 6.619 1.00 0.00 H new ATOM 942 N VAL A 65 -7.431 -6.054 2.941 1.00 0.00 N ATOM 943 CA VAL A 65 -7.444 -5.000 1.935 1.00 0.00 C ATOM 944 C VAL A 65 -8.374 -5.370 0.785 1.00 0.00 C ATOM 945 O VAL A 65 -9.229 -4.581 0.381 1.00 0.00 O ATOM 946 CB VAL A 65 -6.032 -4.737 1.369 1.00 0.00 C ATOM 947 CG1 VAL A 65 -6.066 -3.617 0.338 1.00 0.00 C ATOM 948 CG2 VAL A 65 -5.051 -4.412 2.489 1.00 0.00 C ATOM 0 H VAL A 65 -6.534 -6.529 3.043 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.801 -4.094 2.425 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.690 -5.646 0.874 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.061 -3.448 -0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.728 -3.897 -0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.434 -2.703 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.063 -4.231 2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.387 -3.522 3.020 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.000 -5.251 3.183 1.00 0.00 H new ATOM 958 N ASP A 66 -8.198 -6.579 0.263 1.00 0.00 N ATOM 959 CA ASP A 66 -9.013 -7.067 -0.842 1.00 0.00 C ATOM 960 C ASP A 66 -10.444 -7.338 -0.390 1.00 0.00 C ATOM 961 O ASP A 66 -10.700 -8.274 0.368 1.00 0.00 O ATOM 962 CB ASP A 66 -8.402 -8.343 -1.425 1.00 0.00 C ATOM 963 CG ASP A 66 -7.211 -8.057 -2.318 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.244 -7.431 -1.837 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.246 -8.460 -3.501 1.00 0.00 O ATOM 0 H ASP A 66 -7.494 -7.241 0.590 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.036 -6.295 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.093 -9.000 -0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.161 -8.878 -1.996 1.00 0.00 H new ATOM 970 N GLU A 67 -11.375 -6.516 -0.863 1.00 0.00 N ATOM 971 CA GLU A 67 -12.781 -6.670 -0.511 1.00 0.00 C ATOM 972 C GLU A 67 -13.546 -7.355 -1.638 1.00 0.00 C ATOM 973 O GLU A 67 -14.734 -7.107 -1.837 1.00 0.00 O ATOM 974 CB GLU A 67 -13.407 -5.307 -0.209 1.00 0.00 C ATOM 975 CG GLU A 67 -13.150 -4.824 1.209 1.00 0.00 C ATOM 976 CD GLU A 67 -14.087 -5.457 2.218 1.00 0.00 C ATOM 977 OE1 GLU A 67 -15.248 -5.740 1.855 1.00 0.00 O ATOM 978 OE2 GLU A 67 -13.659 -5.670 3.373 1.00 0.00 O ATOM 0 H GLU A 67 -11.181 -5.736 -1.491 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.842 -7.293 0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.015 -4.572 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.483 -5.365 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.120 -5.049 1.484 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.261 -3.740 1.246 1.00 0.00 H new ATOM 985 N ASP A 68 -12.852 -8.218 -2.374 1.00 0.00 N ATOM 986 CA ASP A 68 -13.461 -8.941 -3.485 1.00 0.00 C ATOM 987 C ASP A 68 -13.008 -10.398 -3.501 1.00 0.00 C ATOM 988 O ASP A 68 -13.818 -11.309 -3.674 1.00 0.00 O ATOM 989 CB ASP A 68 -13.105 -8.267 -4.812 1.00 0.00 C ATOM 990 CG ASP A 68 -11.617 -8.310 -5.105 1.00 0.00 C ATOM 991 OD1 ASP A 68 -10.896 -7.387 -4.668 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.172 -9.267 -5.773 1.00 0.00 O ATOM 0 H ASP A 68 -11.867 -8.434 -2.221 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.543 -8.920 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.646 -8.758 -5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.438 -7.229 -4.789 1.00 0.00 H new ATOM 997 N GLY A 69 -11.707 -10.609 -3.324 1.00 0.00 N ATOM 998 CA GLY A 69 -11.167 -11.957 -3.324 1.00 0.00 C ATOM 999 C GLY A 69 -10.137 -12.162 -4.416 1.00 0.00 C ATOM 1000 O GLY A 69 -10.136 -13.190 -5.094 1.00 0.00 O ATOM 0 H GLY A 69 -11.018 -9.871 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.713 -12.164 -2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.979 -12.672 -3.455 1.00 0.00 H new ATOM 1004 N SER A 70 -9.261 -11.178 -4.590 1.00 0.00 N ATOM 1005 CA SER A 70 -8.221 -11.249 -5.609 1.00 0.00 C ATOM 1006 C SER A 70 -6.843 -11.422 -4.982 1.00 0.00 C ATOM 1007 O SER A 70 -5.920 -11.930 -5.621 1.00 0.00 O ATOM 1008 CB SER A 70 -8.239 -9.984 -6.470 1.00 0.00 C ATOM 1009 OG SER A 70 -8.723 -8.873 -5.733 1.00 0.00 O ATOM 0 H SER A 70 -9.251 -10.321 -4.037 1.00 0.00 H new ATOM 0 HA SER A 70 -8.425 -12.118 -6.234 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.233 -9.773 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.867 -10.145 -7.346 1.00 0.00 H new ATOM 0 HG SER A 70 -8.109 -8.678 -4.995 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.701 -10.986 -3.734 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.425 -11.095 -3.056 1.00 0.00 C ATOM 1017 C GLY A 71 -4.403 -10.112 -3.596 1.00 0.00 C ATOM 1018 O GLY A 71 -3.220 -10.190 -3.263 1.00 0.00 O ATOM 0 H GLY A 71 -7.446 -10.560 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.566 -10.920 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.043 -12.110 -3.165 1.00 0.00 H new ATOM 1022 N THR A 72 -4.859 -9.183 -4.434 1.00 0.00 N ATOM 1023 CA THR A 72 -3.977 -8.182 -5.019 1.00 0.00 C ATOM 1024 C THR A 72 -4.427 -6.777 -4.632 1.00 0.00 C ATOM 1025 O THR A 72 -5.516 -6.590 -4.088 1.00 0.00 O ATOM 1026 CB THR A 72 -3.945 -8.326 -6.541 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.112 -7.772 -7.123 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.839 -9.763 -7.005 1.00 0.00 C ATOM 0 H THR A 72 -5.835 -9.105 -4.721 1.00 0.00 H new ATOM 0 HA THR A 72 -2.971 -8.342 -4.630 1.00 0.00 H new ATOM 0 HB THR A 72 -3.051 -7.791 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.174 -8.051 -8.060 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.821 -9.793 -8.094 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.922 -10.205 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.697 -10.327 -6.640 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.575 -5.792 -4.902 1.00 0.00 N ATOM 1037 CA ILE A 73 -3.878 -4.406 -4.568 1.00 0.00 C ATOM 1038 C ILE A 73 -3.904 -3.513 -5.808 1.00 0.00 C ATOM 1039 O ILE A 73 -2.905 -3.390 -6.517 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.842 -3.847 -3.580 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.675 -4.796 -2.389 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.245 -2.458 -3.106 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.600 -4.360 -1.417 1.00 0.00 C ATOM 0 H ILE A 73 -2.670 -5.929 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.868 -4.403 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.885 -3.766 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.624 -4.872 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.436 -5.793 -2.759 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.498 -2.081 -2.407 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.313 -1.787 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.213 -2.510 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.536 -5.078 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.641 -4.312 -1.933 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.847 -3.376 -1.018 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.048 -2.884 -6.055 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.202 -1.993 -7.201 1.00 0.00 C ATOM 1057 C ASP A 74 -4.386 -0.715 -7.012 1.00 0.00 C ATOM 1058 O ASP A 74 -3.512 -0.648 -6.148 1.00 0.00 O ATOM 1059 CB ASP A 74 -6.679 -1.647 -7.408 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.067 -1.628 -8.873 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -6.837 -2.644 -9.561 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.602 -0.597 -9.332 1.00 0.00 O ATOM 0 H ASP A 74 -5.883 -2.974 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.830 -2.510 -8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.297 -2.373 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.886 -0.672 -6.967 1.00 0.00 H new ATOM 1067 N PHE A 75 -4.674 0.294 -7.829 1.00 0.00 N ATOM 1068 CA PHE A 75 -3.965 1.567 -7.753 1.00 0.00 C ATOM 1069 C PHE A 75 -4.191 2.243 -6.402 1.00 0.00 C ATOM 1070 O PHE A 75 -3.294 2.277 -5.559 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.411 2.494 -8.886 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.583 3.744 -9.000 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.672 4.740 -8.040 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.716 3.920 -10.066 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.912 5.889 -8.143 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -1.953 5.067 -10.174 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.052 6.053 -9.211 1.00 0.00 C ATOM 0 H PHE A 75 -5.393 0.255 -8.551 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.899 1.364 -7.859 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.365 1.950 -9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.453 2.771 -8.729 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.343 4.616 -7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.636 3.152 -10.821 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.990 6.658 -7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.280 5.193 -11.010 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.457 6.951 -9.293 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.392 2.776 -6.200 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.726 3.447 -4.948 1.00 0.00 C ATOM 1089 C GLU A 76 -5.860 2.443 -3.808 1.00 0.00 C ATOM 1090 O GLU A 76 -5.732 2.800 -2.636 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.025 4.244 -5.091 1.00 0.00 C ATOM 1092 CG GLU A 76 -8.134 3.483 -5.800 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.307 3.916 -7.243 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -7.440 3.575 -8.074 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -9.311 4.597 -7.542 1.00 0.00 O ATOM 0 H GLU A 76 -6.148 2.757 -6.884 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.913 4.134 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.373 4.536 -4.100 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.819 5.163 -5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.915 2.416 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.072 3.632 -5.265 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.121 1.186 -4.155 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.275 0.132 -3.160 1.00 0.00 C ATOM 1104 C GLU A 77 -5.082 0.095 -2.209 1.00 0.00 C ATOM 1105 O GLU A 77 -5.210 -0.331 -1.062 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.439 -1.227 -3.846 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.869 -1.738 -3.847 1.00 0.00 C ATOM 1108 CD GLU A 77 -7.956 -3.229 -4.122 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.245 -4.000 -3.444 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.734 -3.623 -5.016 1.00 0.00 O ATOM 0 H GLU A 77 -6.230 0.873 -5.120 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.171 0.349 -2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.089 -1.150 -4.875 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.802 -1.956 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.329 -1.523 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.443 -1.199 -4.601 1.00 0.00 H new ATOM 1117 N PHE A 78 -3.924 0.545 -2.688 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.721 0.560 -1.863 1.00 0.00 C ATOM 1119 C PHE A 78 -2.818 1.619 -0.767 1.00 0.00 C ATOM 1120 O PHE A 78 -2.004 1.645 0.156 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.477 0.808 -2.716 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.199 0.503 -1.989 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.391 1.452 -1.170 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.408 -0.735 -2.119 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.562 1.173 -0.494 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.581 -1.020 -1.447 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.158 -0.066 -0.632 1.00 0.00 C ATOM 0 H PHE A 78 -3.795 0.901 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.635 -0.420 -1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.532 0.196 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.466 1.849 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.071 2.422 -1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.041 -1.486 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.011 1.922 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.046 -1.988 -1.559 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.073 -0.288 -0.104 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.822 2.485 -0.865 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.024 3.528 0.130 1.00 0.00 C ATOM 1139 C LEU A 79 -5.026 3.064 1.181 1.00 0.00 C ATOM 1140 O LEU A 79 -4.818 3.256 2.378 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.516 4.815 -0.535 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.481 5.523 -1.414 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -3.892 5.469 -2.877 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.290 6.964 -0.963 1.00 0.00 C ATOM 0 H LEU A 79 -4.506 2.484 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.070 3.732 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.389 4.581 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.845 5.505 0.242 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.529 5.002 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.143 5.978 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.971 4.429 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.856 5.961 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.551 7.450 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.238 7.497 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.944 6.979 0.071 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.111 2.447 0.720 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.147 1.948 1.617 1.00 0.00 C ATOM 1158 C VAL A 80 -6.610 0.835 2.508 1.00 0.00 C ATOM 1159 O VAL A 80 -7.032 0.685 3.655 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.374 1.433 0.832 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.095 0.078 0.194 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.591 1.364 1.743 1.00 0.00 C ATOM 0 H VAL A 80 -6.295 2.281 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.459 2.785 2.241 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.582 2.137 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -8.978 -0.256 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.255 0.166 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.852 -0.647 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.449 1.000 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.388 0.685 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.810 2.358 2.134 1.00 0.00 H new ATOM 1172 N MET A 81 -5.673 0.058 1.974 1.00 0.00 N ATOM 1173 CA MET A 81 -5.070 -1.041 2.719 1.00 0.00 C ATOM 1174 C MET A 81 -4.583 -0.560 4.077 1.00 0.00 C ATOM 1175 O MET A 81 -4.754 -1.234 5.093 1.00 0.00 O ATOM 1176 CB MET A 81 -3.900 -1.637 1.936 1.00 0.00 C ATOM 1177 CG MET A 81 -3.080 -0.608 1.181 1.00 0.00 C ATOM 1178 SD MET A 81 -1.350 -1.081 1.021 1.00 0.00 S ATOM 1179 CE MET A 81 -0.934 -1.347 2.740 1.00 0.00 C ATOM 0 H MET A 81 -5.314 0.170 1.026 1.00 0.00 H new ATOM 0 HA MET A 81 -5.829 -1.809 2.866 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.248 -2.172 2.627 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.285 -2.371 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.507 -0.466 0.188 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.144 0.351 1.696 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.116 -1.105 2.902 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.555 -0.708 3.368 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.110 -2.391 3.000 1.00 0.00 H new ATOM 1189 N MET A 82 -3.978 0.617 4.076 1.00 0.00 N ATOM 1190 CA MET A 82 -3.458 1.218 5.293 1.00 0.00 C ATOM 1191 C MET A 82 -4.590 1.812 6.126 1.00 0.00 C ATOM 1192 O MET A 82 -4.571 1.741 7.355 1.00 0.00 O ATOM 1193 CB MET A 82 -2.439 2.300 4.939 1.00 0.00 C ATOM 1194 CG MET A 82 -1.090 2.107 5.608 1.00 0.00 C ATOM 1195 SD MET A 82 0.122 3.333 5.081 1.00 0.00 S ATOM 1196 CE MET A 82 0.205 2.993 3.326 1.00 0.00 C ATOM 0 H MET A 82 -3.834 1.179 3.237 1.00 0.00 H new ATOM 0 HA MET A 82 -2.969 0.444 5.885 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.300 2.317 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.841 3.273 5.224 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.213 2.163 6.690 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.715 1.109 5.381 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.224 2.713 3.057 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.473 2.175 3.081 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.086 3.884 2.769 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.576 2.395 5.450 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.717 2.998 6.129 1.00 0.00 C ATOM 1208 C VAL A 83 -7.423 1.977 7.019 1.00 0.00 C ATOM 1209 O VAL A 83 -7.936 2.317 8.084 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.732 3.577 5.119 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.895 4.245 5.838 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -7.050 4.560 4.178 1.00 0.00 C ATOM 0 H VAL A 83 -5.607 2.462 4.433 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.330 3.810 6.745 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.129 2.751 4.528 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.595 4.644 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.404 3.513 6.465 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.520 5.057 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.781 4.957 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.621 5.379 4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.259 4.049 3.629 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.440 0.726 6.573 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.080 -0.346 7.328 1.00 0.00 C ATOM 1224 C ARG A 84 -7.259 -0.719 8.562 1.00 0.00 C ATOM 1225 O ARG A 84 -7.758 -1.386 9.469 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.274 -1.577 6.440 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.070 -1.295 5.175 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.135 -2.354 4.932 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.461 -1.766 4.752 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.213 -1.316 5.753 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.778 -1.389 7.005 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.407 -0.794 5.502 1.00 0.00 N ATOM 0 H ARG A 84 -7.018 0.429 5.693 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.054 0.014 7.661 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.297 -1.973 6.164 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.782 -2.352 7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.542 -0.316 5.253 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.394 -1.256 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.873 -2.935 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.157 -3.046 5.774 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.831 -1.697 3.804 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.862 -1.792 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.359 -1.042 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.748 -0.738 4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.984 -0.449 6.269 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.002 -0.286 8.593 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.122 -0.577 9.719 1.00 0.00 C ATOM 1248 C GLN A 85 -4.849 0.684 10.534 1.00 0.00 C ATOM 1249 O GLN A 85 -4.577 0.616 11.732 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.801 -1.174 9.223 1.00 0.00 C ATOM 1251 CG GLN A 85 -3.976 -2.230 8.142 1.00 0.00 C ATOM 1252 CD GLN A 85 -4.971 -3.305 8.530 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -4.989 -3.768 9.671 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.807 -3.709 7.581 1.00 0.00 N ATOM 0 H GLN A 85 -5.571 0.267 7.852 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.622 -1.303 10.360 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.172 -0.372 8.837 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.272 -1.615 10.068 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.307 -1.750 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.011 -2.692 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.757 -3.298 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.499 -4.430 7.784 1.00 0.00 H new ATOM 1263 N MET A 86 -4.927 1.835 9.872 1.00 0.00 N ATOM 1264 CA MET A 86 -4.691 3.115 10.527 1.00 0.00 C ATOM 1265 C MET A 86 -5.855 3.477 11.443 1.00 0.00 C ATOM 1266 O MET A 86 -5.666 3.743 12.630 1.00 0.00 O ATOM 1267 CB MET A 86 -4.488 4.210 9.480 1.00 0.00 C ATOM 1268 CG MET A 86 -3.048 4.340 9.007 1.00 0.00 C ATOM 1269 SD MET A 86 -2.750 5.867 8.094 1.00 0.00 S ATOM 1270 CE MET A 86 -2.243 5.213 6.505 1.00 0.00 C ATOM 0 H MET A 86 -5.153 1.906 8.880 1.00 0.00 H new ATOM 0 HA MET A 86 -3.790 3.029 11.134 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.127 4.003 8.621 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.813 5.164 9.896 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.382 4.301 9.869 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.800 3.488 8.374 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.805 6.011 5.906 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.505 4.425 6.655 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.110 4.804 5.986 1.00 0.00 H new ATOM 1280 N LYS A 87 -7.060 3.486 10.882 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.257 3.814 11.645 1.00 0.00 C ATOM 1282 C LYS A 87 -8.564 2.726 12.670 1.00 0.00 C ATOM 1283 O LYS A 87 -9.138 2.996 13.724 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.450 4.000 10.707 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.510 5.376 10.065 1.00 0.00 C ATOM 1286 CD LYS A 87 -8.730 5.419 8.761 1.00 0.00 C ATOM 1287 CE LYS A 87 -7.356 6.041 8.951 1.00 0.00 C ATOM 1288 NZ LYS A 87 -7.431 7.350 9.659 1.00 0.00 N ATOM 0 H LYS A 87 -7.233 3.269 9.900 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.074 4.748 12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.406 3.244 9.923 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.370 3.828 11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.549 5.646 9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.108 6.118 10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.621 4.408 8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.289 5.990 8.020 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.724 5.358 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.883 6.181 7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.563 7.893 9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.253 7.885 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.530 7.187 10.681 1.00 0.00 H new ATOM 1384 N SER B 117 1.276 1.975 10.192 1.00 0.00 N ATOM 1385 CA SER B 117 2.330 2.850 9.692 1.00 0.00 C ATOM 1386 C SER B 117 2.512 2.671 8.187 1.00 0.00 C ATOM 1387 O SER B 117 1.841 3.336 7.400 1.00 0.00 O ATOM 1388 CB SER B 117 3.645 2.584 10.430 1.00 0.00 C ATOM 1389 OG SER B 117 3.559 2.983 11.787 1.00 0.00 O ATOM 0 HA SER B 117 2.034 3.882 9.879 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.888 1.523 10.375 1.00 0.00 H new ATOM 0 HB3 SER B 117 4.456 3.123 9.940 1.00 0.00 H new ATOM 0 HG SER B 117 2.629 2.919 12.088 1.00 0.00 H new ATOM 1395 N ALA B 118 3.413 1.776 7.784 1.00 0.00 N ATOM 1396 CA ALA B 118 3.667 1.528 6.367 1.00 0.00 C ATOM 1397 C ALA B 118 4.352 2.722 5.705 1.00 0.00 C ATOM 1398 O ALA B 118 5.254 2.550 4.885 1.00 0.00 O ATOM 1399 CB ALA B 118 2.369 1.189 5.644 1.00 0.00 C ATOM 0 H ALA B 118 3.978 1.212 8.418 1.00 0.00 H new ATOM 0 HA ALA B 118 4.342 0.675 6.294 1.00 0.00 H new ATOM 0 HB1 ALA B 118 2.577 1.007 4.590 1.00 0.00 H new ATOM 0 HB2 ALA B 118 1.929 0.295 6.086 1.00 0.00 H new ATOM 0 HB3 ALA B 118 1.672 2.022 5.738 1.00 0.00 H new ATOM 1405 N ASP B 119 3.920 3.934 6.065 1.00 0.00 N ATOM 1406 CA ASP B 119 4.485 5.162 5.513 1.00 0.00 C ATOM 1407 C ASP B 119 6.004 5.072 5.383 1.00 0.00 C ATOM 1408 O ASP B 119 6.596 5.682 4.495 1.00 0.00 O ATOM 1409 CB ASP B 119 4.101 6.353 6.388 1.00 0.00 C ATOM 1410 CG ASP B 119 4.638 7.666 5.852 1.00 0.00 C ATOM 1411 OD1 ASP B 119 5.862 7.892 5.952 1.00 0.00 O ATOM 1412 OD2 ASP B 119 3.835 8.469 5.331 1.00 0.00 O ATOM 0 H ASP B 119 3.174 4.088 6.743 1.00 0.00 H new ATOM 0 HA ASP B 119 4.074 5.301 4.513 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.015 6.411 6.460 1.00 0.00 H new ATOM 0 HB3 ASP B 119 4.480 6.195 7.398 1.00 0.00 H new ATOM 1417 N ALA B 120 6.633 4.300 6.267 1.00 0.00 N ATOM 1418 CA ALA B 120 8.080 4.130 6.228 1.00 0.00 C ATOM 1419 C ALA B 120 8.522 3.663 4.847 1.00 0.00 C ATOM 1420 O ALA B 120 9.254 4.367 4.151 1.00 0.00 O ATOM 1421 CB ALA B 120 8.533 3.149 7.299 1.00 0.00 C ATOM 0 H ALA B 120 6.165 3.786 7.014 1.00 0.00 H new ATOM 0 HA ALA B 120 8.547 5.094 6.431 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.616 3.035 7.254 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.248 3.526 8.281 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.059 2.182 7.130 1.00 0.00 H new ATOM 1427 N MET B 121 8.052 2.487 4.441 1.00 0.00 N ATOM 1428 CA MET B 121 8.387 1.958 3.125 1.00 0.00 C ATOM 1429 C MET B 121 7.891 2.918 2.051 1.00 0.00 C ATOM 1430 O MET B 121 8.485 3.037 0.980 1.00 0.00 O ATOM 1431 CB MET B 121 7.767 0.575 2.916 1.00 0.00 C ATOM 1432 CG MET B 121 8.027 -0.001 1.531 1.00 0.00 C ATOM 1433 SD MET B 121 6.678 -1.043 0.943 1.00 0.00 S ATOM 1434 CE MET B 121 5.335 0.137 0.907 1.00 0.00 C ATOM 0 H MET B 121 7.444 1.888 4.999 1.00 0.00 H new ATOM 0 HA MET B 121 9.470 1.857 3.056 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.163 -0.110 3.666 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.691 0.639 3.079 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.183 0.816 0.826 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.948 -0.584 1.552 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.445 -0.312 1.348 1.00 0.00 H new ATOM 0 HE2 MET B 121 5.614 1.024 1.476 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.126 0.419 -0.125 1.00 0.00 H new ATOM 1444 N LEU B 122 6.801 3.612 2.361 1.00 0.00 N ATOM 1445 CA LEU B 122 6.222 4.579 1.443 1.00 0.00 C ATOM 1446 C LEU B 122 7.202 5.721 1.213 1.00 0.00 C ATOM 1447 O LEU B 122 7.383 6.178 0.089 1.00 0.00 O ATOM 1448 CB LEU B 122 4.905 5.129 2.008 1.00 0.00 C ATOM 1449 CG LEU B 122 3.651 4.274 1.771 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.926 2.799 2.030 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.505 4.764 2.649 1.00 0.00 C ATOM 0 H LEU B 122 6.301 3.520 3.245 1.00 0.00 H new ATOM 0 HA LEU B 122 6.016 4.083 0.494 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.026 5.268 3.082 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.733 6.115 1.576 1.00 0.00 H new ATOM 0 HG LEU B 122 3.366 4.379 0.724 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.018 2.223 1.853 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.712 2.452 1.359 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.245 2.664 3.063 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.622 4.150 2.471 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.793 4.691 3.698 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.279 5.802 2.406 1.00 0.00 H new ATOM 1463 N ARG B 123 7.840 6.174 2.293 1.00 0.00 N ATOM 1464 CA ARG B 123 8.810 7.260 2.207 1.00 0.00 C ATOM 1465 C ARG B 123 10.220 6.722 1.962 1.00 0.00 C ATOM 1466 O ARG B 123 11.203 7.449 2.098 1.00 0.00 O ATOM 1467 CB ARG B 123 8.787 8.094 3.489 1.00 0.00 C ATOM 1468 CG ARG B 123 9.385 9.483 3.322 1.00 0.00 C ATOM 1469 CD ARG B 123 10.641 9.662 4.162 1.00 0.00 C ATOM 1470 NE ARG B 123 10.429 10.586 5.274 1.00 0.00 N ATOM 1471 CZ ARG B 123 11.415 11.164 5.956 1.00 0.00 C ATOM 1472 NH1 ARG B 123 12.681 10.914 5.646 1.00 0.00 N ATOM 1473 NH2 ARG B 123 11.134 11.993 6.951 1.00 0.00 N ATOM 0 H ARG B 123 7.701 5.805 3.234 1.00 0.00 H new ATOM 0 HA ARG B 123 8.533 7.891 1.363 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.757 8.190 3.832 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.334 7.563 4.268 1.00 0.00 H new ATOM 0 HG2 ARG B 123 9.623 9.653 2.272 1.00 0.00 H new ATOM 0 HG3 ARG B 123 8.647 10.233 3.607 1.00 0.00 H new ATOM 0 HD2 ARG B 123 10.958 8.694 4.550 1.00 0.00 H new ATOM 0 HD3 ARG B 123 11.449 10.033 3.531 1.00 0.00 H new ATOM 0 HE ARG B 123 9.469 10.801 5.543 1.00 0.00 H new ATOM 0 HH11 ARG B 123 12.902 10.276 4.882 1.00 0.00 H new ATOM 0 HH12 ARG B 123 13.433 11.360 6.172 1.00 0.00 H new ATOM 0 HH21 ARG B 123 10.163 12.188 7.194 1.00 0.00 H new ATOM 0 HH22 ARG B 123 11.889 12.436 7.474 1.00 0.00 H new ATOM 1487 N ALA B 124 10.313 5.443 1.606 1.00 0.00 N ATOM 1488 CA ALA B 124 11.599 4.809 1.350 1.00 0.00 C ATOM 1489 C ALA B 124 12.154 5.200 -0.015 1.00 0.00 C ATOM 1490 O ALA B 124 13.128 5.945 -0.113 1.00 0.00 O ATOM 1491 CB ALA B 124 11.462 3.296 1.440 1.00 0.00 C ATOM 0 H ALA B 124 9.509 4.826 1.489 1.00 0.00 H new ATOM 0 HA ALA B 124 12.299 5.157 2.109 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.429 2.831 1.247 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.119 3.020 2.437 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.740 2.951 0.700 1.00 0.00 H new ATOM 1497 N LEU B 125 11.533 4.672 -1.063 1.00 0.00 N ATOM 1498 CA LEU B 125 11.966 4.941 -2.426 1.00 0.00 C ATOM 1499 C LEU B 125 11.578 6.348 -2.874 1.00 0.00 C ATOM 1500 O LEU B 125 12.244 6.938 -3.725 1.00 0.00 O ATOM 1501 CB LEU B 125 11.372 3.900 -3.373 1.00 0.00 C ATOM 1502 CG LEU B 125 11.630 2.451 -2.962 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.546 1.541 -3.512 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.004 1.999 -3.434 1.00 0.00 C ATOM 0 H LEU B 125 10.725 4.053 -0.993 1.00 0.00 H new ATOM 0 HA LEU B 125 13.054 4.877 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.296 4.060 -3.440 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.780 4.060 -4.371 1.00 0.00 H new ATOM 0 HG LEU B 125 11.607 2.391 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.746 0.513 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.577 1.852 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.536 1.604 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.170 0.965 -3.132 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.058 2.073 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.769 2.634 -2.988 1.00 0.00 H new