USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 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 18 MET CE :methyl 163:sc= -1.11 (180deg=-0.828) USER MOD Set 1.2: A 82 MET CE :methyl 145:sc= -4.13! (180deg=-1.72!) USER MOD Set 1.3: A 86 MET CE :methyl -175:sc= -7.45! (180deg=-5.71!) USER MOD Set 2.1: A 38 SER OG : rot 180:sc= 0.014 USER MOD Set 2.2: A 39 THR OG1 : rot 171:sc= -0.134 USER MOD Set 2.3: A 55 LYS NZ :NH3+ -127:sc= -0.999 (180deg=-2.93!) USER MOD Set 3.1: A 46 MET CE :methyl -159:sc= -0.336 (180deg=0) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.207 K(o=-0.54,f=-3.8!) USER MOD Single : A 6 GLN : amide:sc= -2.93 K(o=-2.9,f=-10!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) 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 163:sc= -0.616 (180deg=-1.33) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 80:sc= 0.00218 USER MOD Single : A 48 MET CE :methyl 177:sc= -11.2! (180deg=-11.8!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0942 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 46:sc= 0.213 USER MOD Single : A 72 THR OG1 : rot -160:sc= -0.849 USER MOD Single : A 81 MET CE :methyl -128:sc= -4.37! (180deg=-10.5!) USER MOD Single : A 85 GLN : amide:sc= -1.49 K(o=-1.5,f=-6.5!) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -1.29 (180deg=-1.76) USER MOD Single : B 117 SER OG : rot -12:sc= 0.604 USER MOD Single : B 121 MET CE :methyl 155:sc= -3.9! (180deg=-5.51!) USER MOD ----------------------------------------------------------------- ATOM 67 N GLN A 6 -14.016 2.879 -0.542 1.00 0.00 N ATOM 68 CA GLN A 6 -12.843 3.126 0.295 1.00 0.00 C ATOM 69 C GLN A 6 -11.639 3.554 -0.542 1.00 0.00 C ATOM 70 O GLN A 6 -10.822 4.362 -0.100 1.00 0.00 O ATOM 71 CB GLN A 6 -12.494 1.873 1.101 1.00 0.00 C ATOM 72 CG GLN A 6 -12.405 0.612 0.257 1.00 0.00 C ATOM 73 CD GLN A 6 -12.640 -0.648 1.065 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.703 -1.377 1.389 1.00 0.00 O ATOM 75 NE2 GLN A 6 -13.899 -0.913 1.397 1.00 0.00 N ATOM 0 HA GLN A 6 -13.089 3.939 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.541 2.030 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.246 1.729 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.138 0.665 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.422 0.561 -0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.646 -0.282 1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.118 -1.748 1.941 1.00 0.00 H new ATOM 84 N GLN A 7 -11.542 3.018 -1.755 1.00 0.00 N ATOM 85 CA GLN A 7 -10.438 3.357 -2.654 1.00 0.00 C ATOM 86 C GLN A 7 -10.376 4.856 -2.872 1.00 0.00 C ATOM 87 O GLN A 7 -9.306 5.429 -3.074 1.00 0.00 O ATOM 88 CB GLN A 7 -10.589 2.666 -4.015 1.00 0.00 C ATOM 89 CG GLN A 7 -12.028 2.467 -4.465 1.00 0.00 C ATOM 90 CD GLN A 7 -12.170 2.472 -5.975 1.00 0.00 C ATOM 91 OE1 GLN A 7 -13.008 3.184 -6.529 1.00 0.00 O ATOM 92 NE2 GLN A 7 -11.350 1.675 -6.648 1.00 0.00 N ATOM 0 H GLN A 7 -12.210 2.350 -2.139 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.519 3.010 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.064 3.255 -4.767 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.098 1.694 -3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.401 1.521 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.650 3.256 -4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.671 1.102 -6.147 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.399 1.635 -7.666 1.00 0.00 H new ATOM 101 N ALA A 8 -11.539 5.478 -2.841 1.00 0.00 N ATOM 102 CA ALA A 8 -11.645 6.906 -3.045 1.00 0.00 C ATOM 103 C ALA A 8 -11.399 7.661 -1.745 1.00 0.00 C ATOM 104 O ALA A 8 -10.582 8.581 -1.693 1.00 0.00 O ATOM 105 CB ALA A 8 -13.015 7.236 -3.611 1.00 0.00 C ATOM 0 H ALA A 8 -12.430 5.010 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.881 7.220 -3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.096 8.312 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.149 6.722 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.785 6.911 -2.912 1.00 0.00 H new ATOM 111 N GLU A 9 -12.107 7.260 -0.692 1.00 0.00 N ATOM 112 CA GLU A 9 -11.960 7.893 0.613 1.00 0.00 C ATOM 113 C GLU A 9 -10.521 7.774 1.098 1.00 0.00 C ATOM 114 O GLU A 9 -9.962 8.717 1.657 1.00 0.00 O ATOM 115 CB GLU A 9 -12.909 7.251 1.628 1.00 0.00 C ATOM 116 CG GLU A 9 -14.320 7.049 1.098 1.00 0.00 C ATOM 117 CD GLU A 9 -15.351 7.863 1.855 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.341 7.820 3.103 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.167 8.545 1.199 1.00 0.00 O ATOM 0 H GLU A 9 -12.787 6.500 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.214 8.949 0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.503 6.287 1.933 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.951 7.876 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.350 7.322 0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.580 5.992 1.161 1.00 0.00 H new ATOM 126 N ALA A 10 -9.927 6.607 0.868 1.00 0.00 N ATOM 127 CA ALA A 10 -8.548 6.343 1.263 1.00 0.00 C ATOM 128 C ALA A 10 -7.635 7.516 0.919 1.00 0.00 C ATOM 129 O ALA A 10 -6.966 8.072 1.789 1.00 0.00 O ATOM 130 CB ALA A 10 -8.056 5.077 0.583 1.00 0.00 C ATOM 0 H ALA A 10 -10.385 5.822 0.405 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.521 6.210 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.025 4.882 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.684 4.237 0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.105 5.203 -0.499 1.00 0.00 H new ATOM 136 N ARG A 11 -7.617 7.889 -0.358 1.00 0.00 N ATOM 137 CA ARG A 11 -6.790 8.998 -0.819 1.00 0.00 C ATOM 138 C ARG A 11 -7.067 10.257 -0.003 1.00 0.00 C ATOM 139 O ARG A 11 -6.206 11.129 0.127 1.00 0.00 O ATOM 140 CB ARG A 11 -7.045 9.266 -2.305 1.00 0.00 C ATOM 141 CG ARG A 11 -5.830 9.014 -3.183 1.00 0.00 C ATOM 142 CD ARG A 11 -6.092 9.412 -4.625 1.00 0.00 C ATOM 143 NE ARG A 11 -6.651 10.758 -4.730 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.921 11.871 -4.684 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.604 11.803 -4.535 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.511 13.054 -4.789 1.00 0.00 N ATOM 0 H ARG A 11 -8.166 7.439 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.744 8.724 -0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.866 8.635 -2.644 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.366 10.300 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.979 9.576 -2.798 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.561 7.959 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.161 9.361 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.779 8.698 -5.079 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.660 10.851 -4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.146 10.895 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.050 12.659 -4.500 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.523 13.111 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.953 13.907 -4.754 1.00 0.00 H new ATOM 160 N ALA A 12 -8.272 10.342 0.551 1.00 0.00 N ATOM 161 CA ALA A 12 -8.664 11.488 1.360 1.00 0.00 C ATOM 162 C ALA A 12 -8.434 11.218 2.845 1.00 0.00 C ATOM 163 O ALA A 12 -8.331 12.148 3.644 1.00 0.00 O ATOM 164 CB ALA A 12 -10.122 11.839 1.106 1.00 0.00 C ATOM 0 H ALA A 12 -8.995 9.629 0.454 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.041 12.335 1.071 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.401 12.697 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.259 12.084 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.752 10.988 1.366 1.00 0.00 H new ATOM 170 N PHE A 13 -8.355 9.939 3.209 1.00 0.00 N ATOM 171 CA PHE A 13 -8.138 9.555 4.599 1.00 0.00 C ATOM 172 C PHE A 13 -6.737 9.951 5.059 1.00 0.00 C ATOM 173 O PHE A 13 -6.512 10.205 6.242 1.00 0.00 O ATOM 174 CB PHE A 13 -8.340 8.048 4.771 1.00 0.00 C ATOM 175 CG PHE A 13 -9.709 7.682 5.267 1.00 0.00 C ATOM 176 CD1 PHE A 13 -10.145 8.106 6.512 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.559 6.913 4.488 1.00 0.00 C ATOM 178 CE1 PHE A 13 -11.405 7.771 6.970 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.820 6.575 4.942 1.00 0.00 C ATOM 180 CZ PHE A 13 -12.243 7.004 6.185 1.00 0.00 C ATOM 0 H PHE A 13 -8.438 9.155 2.562 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.866 10.083 5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.164 7.554 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.595 7.666 5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.493 8.705 7.131 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.233 6.574 3.516 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.734 8.109 7.942 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.474 5.976 4.325 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.227 6.740 6.542 1.00 0.00 H new ATOM 190 N LEU A 14 -5.802 10.000 4.116 1.00 0.00 N ATOM 191 CA LEU A 14 -4.425 10.364 4.425 1.00 0.00 C ATOM 192 C LEU A 14 -4.069 11.713 3.812 1.00 0.00 C ATOM 193 O LEU A 14 -4.818 12.256 3.000 1.00 0.00 O ATOM 194 CB LEU A 14 -3.463 9.292 3.912 1.00 0.00 C ATOM 195 CG LEU A 14 -3.927 7.850 4.124 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.261 6.922 3.122 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.630 7.403 5.547 1.00 0.00 C ATOM 0 H LEU A 14 -5.973 9.792 3.132 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.331 10.439 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.300 9.452 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.500 9.424 4.405 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.005 7.806 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.603 5.901 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.522 7.232 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.179 6.967 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.966 6.375 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.557 7.462 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.154 8.052 6.249 1.00 0.00 H new ATOM 209 N SER A 15 -2.916 12.247 4.202 1.00 0.00 N ATOM 210 CA SER A 15 -2.454 13.530 3.689 1.00 0.00 C ATOM 211 C SER A 15 -1.729 13.347 2.363 1.00 0.00 C ATOM 212 O SER A 15 -1.290 12.246 2.034 1.00 0.00 O ATOM 213 CB SER A 15 -1.520 14.202 4.699 1.00 0.00 C ATOM 214 OG SER A 15 -1.723 15.604 4.726 1.00 0.00 O ATOM 0 H SER A 15 -2.284 11.810 4.873 1.00 0.00 H new ATOM 0 HA SER A 15 -3.325 14.166 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.694 13.787 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.483 13.986 4.440 1.00 0.00 H new ATOM 0 HG SER A 15 -1.116 16.010 5.380 1.00 0.00 H new ATOM 220 N GLU A 16 -1.593 14.433 1.606 1.00 0.00 N ATOM 221 CA GLU A 16 -0.902 14.380 0.322 1.00 0.00 C ATOM 222 C GLU A 16 0.455 13.702 0.481 1.00 0.00 C ATOM 223 O GLU A 16 0.978 13.100 -0.456 1.00 0.00 O ATOM 224 CB GLU A 16 -0.721 15.790 -0.245 1.00 0.00 C ATOM 225 CG GLU A 16 -0.838 15.855 -1.759 1.00 0.00 C ATOM 226 CD GLU A 16 0.479 15.578 -2.459 1.00 0.00 C ATOM 227 OE1 GLU A 16 1.503 16.164 -2.051 1.00 0.00 O ATOM 228 OE2 GLU A 16 0.485 14.774 -3.415 1.00 0.00 O ATOM 0 H GLU A 16 -1.950 15.355 1.858 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.507 13.799 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.467 16.449 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.256 16.170 0.052 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.582 15.132 -2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.199 16.842 -2.050 1.00 0.00 H new ATOM 235 N GLU A 17 1.011 13.800 1.686 1.00 0.00 N ATOM 236 CA GLU A 17 2.299 13.195 1.994 1.00 0.00 C ATOM 237 C GLU A 17 2.249 11.683 1.795 1.00 0.00 C ATOM 238 O GLU A 17 2.989 11.129 0.982 1.00 0.00 O ATOM 239 CB GLU A 17 2.693 13.519 3.437 1.00 0.00 C ATOM 240 CG GLU A 17 3.596 14.736 3.562 1.00 0.00 C ATOM 241 CD GLU A 17 2.968 15.848 4.380 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.186 15.537 5.305 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.257 17.029 4.098 1.00 0.00 O ATOM 0 H GLU A 17 0.584 14.297 2.468 1.00 0.00 H new ATOM 0 HA GLU A 17 3.045 13.606 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.789 13.686 4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.199 12.656 3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.538 14.439 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.833 15.112 2.567 1.00 0.00 H new ATOM 250 N MET A 18 1.368 11.024 2.543 1.00 0.00 N ATOM 251 CA MET A 18 1.214 9.574 2.455 1.00 0.00 C ATOM 252 C MET A 18 1.002 9.127 1.009 1.00 0.00 C ATOM 253 O MET A 18 1.289 7.984 0.656 1.00 0.00 O ATOM 254 CB MET A 18 0.039 9.116 3.322 1.00 0.00 C ATOM 255 CG MET A 18 0.333 7.868 4.140 1.00 0.00 C ATOM 256 SD MET A 18 1.440 8.189 5.527 1.00 0.00 S ATOM 257 CE MET A 18 1.000 6.848 6.631 1.00 0.00 C ATOM 0 H MET A 18 0.749 11.472 3.218 1.00 0.00 H new ATOM 0 HA MET A 18 2.132 9.115 2.821 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.240 9.925 3.997 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.822 8.925 2.681 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.604 7.456 4.516 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.777 7.111 3.493 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.781 6.723 7.381 1.00 0.00 H new ATOM 0 HE2 MET A 18 0.056 7.079 7.125 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.894 5.926 6.059 1.00 0.00 H new ATOM 267 N ILE A 19 0.503 10.037 0.178 1.00 0.00 N ATOM 268 CA ILE A 19 0.259 9.738 -1.226 1.00 0.00 C ATOM 269 C ILE A 19 1.560 9.784 -2.019 1.00 0.00 C ATOM 270 O ILE A 19 1.978 8.789 -2.611 1.00 0.00 O ATOM 271 CB ILE A 19 -0.748 10.736 -1.840 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.147 10.491 -1.272 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.759 10.631 -3.361 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.154 11.547 -1.673 1.00 0.00 C ATOM 0 H ILE A 19 0.260 10.988 0.455 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.162 8.734 -1.279 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.436 11.746 -1.576 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.501 9.516 -1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.087 10.451 -0.184 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.476 11.343 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.235 10.854 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.044 9.621 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.124 11.310 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.822 12.521 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.243 11.571 -2.759 1.00 0.00 H new ATOM 286 N ALA A 20 2.191 10.951 -2.022 1.00 0.00 N ATOM 287 CA ALA A 20 3.445 11.146 -2.737 1.00 0.00 C ATOM 288 C ALA A 20 4.485 10.106 -2.329 1.00 0.00 C ATOM 289 O ALA A 20 5.400 9.798 -3.093 1.00 0.00 O ATOM 290 CB ALA A 20 3.959 12.551 -2.488 1.00 0.00 C ATOM 0 H ALA A 20 1.853 11.781 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 20 3.261 11.017 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.897 12.695 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.225 13.275 -2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.125 12.694 -1.420 1.00 0.00 H new ATOM 296 N GLU A 21 4.329 9.554 -1.129 1.00 0.00 N ATOM 297 CA GLU A 21 5.240 8.537 -0.631 1.00 0.00 C ATOM 298 C GLU A 21 4.749 7.159 -1.054 1.00 0.00 C ATOM 299 O GLU A 21 5.545 6.260 -1.328 1.00 0.00 O ATOM 300 CB GLU A 21 5.356 8.613 0.895 1.00 0.00 C ATOM 301 CG GLU A 21 5.664 10.007 1.417 1.00 0.00 C ATOM 302 CD GLU A 21 6.847 10.027 2.365 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.713 9.504 3.491 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.906 10.567 1.982 1.00 0.00 O ATOM 0 H GLU A 21 3.577 9.797 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 21 6.228 8.713 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.423 8.267 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.139 7.930 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.866 10.669 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.786 10.401 1.929 1.00 0.00 H new ATOM 311 N PHE A 22 3.429 7.010 -1.126 1.00 0.00 N ATOM 312 CA PHE A 22 2.825 5.752 -1.542 1.00 0.00 C ATOM 313 C PHE A 22 3.262 5.419 -2.963 1.00 0.00 C ATOM 314 O PHE A 22 3.435 4.253 -3.318 1.00 0.00 O ATOM 315 CB PHE A 22 1.298 5.844 -1.471 1.00 0.00 C ATOM 316 CG PHE A 22 0.701 5.056 -0.341 1.00 0.00 C ATOM 317 CD1 PHE A 22 1.055 3.732 -0.139 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.217 5.639 0.516 1.00 0.00 C ATOM 319 CE1 PHE A 22 0.507 3.004 0.898 1.00 0.00 C ATOM 320 CE2 PHE A 22 -0.769 4.916 1.557 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.407 3.597 1.747 1.00 0.00 C ATOM 0 H PHE A 22 2.759 7.746 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 22 3.156 4.961 -0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.010 6.890 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.877 5.490 -2.412 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.768 3.264 -0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.505 6.670 0.370 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.792 1.973 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.482 5.382 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.838 3.030 2.559 1.00 0.00 H new ATOM 331 N LYS A 23 3.455 6.463 -3.762 1.00 0.00 N ATOM 332 CA LYS A 23 3.891 6.302 -5.141 1.00 0.00 C ATOM 333 C LYS A 23 5.344 5.834 -5.189 1.00 0.00 C ATOM 334 O LYS A 23 5.820 5.354 -6.218 1.00 0.00 O ATOM 335 CB LYS A 23 3.738 7.620 -5.903 1.00 0.00 C ATOM 336 CG LYS A 23 3.723 7.453 -7.413 1.00 0.00 C ATOM 337 CD LYS A 23 2.351 7.031 -7.913 1.00 0.00 C ATOM 338 CE LYS A 23 2.008 7.703 -9.233 1.00 0.00 C ATOM 339 NZ LYS A 23 0.789 7.117 -9.854 1.00 0.00 N ATOM 0 H LYS A 23 3.315 7.432 -3.475 1.00 0.00 H new ATOM 0 HA LYS A 23 3.265 5.547 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.813 8.105 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.556 8.286 -5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.011 8.391 -7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.463 6.708 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.325 5.948 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.597 7.285 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.855 8.770 -9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.849 7.604 -9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.589 7.603 -10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.944 6.105 -10.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.019 7.234 -9.210 1.00 0.00 H new ATOM 353 N ALA A 24 6.044 5.980 -4.064 1.00 0.00 N ATOM 354 CA ALA A 24 7.444 5.575 -3.970 1.00 0.00 C ATOM 355 C ALA A 24 7.649 4.140 -4.449 1.00 0.00 C ATOM 356 O ALA A 24 8.275 3.902 -5.482 1.00 0.00 O ATOM 357 CB ALA A 24 7.932 5.720 -2.538 1.00 0.00 C ATOM 0 H ALA A 24 5.663 6.376 -3.205 1.00 0.00 H new ATOM 0 HA ALA A 24 8.024 6.229 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.977 5.416 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.838 6.760 -2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.332 5.088 -1.883 1.00 0.00 H new ATOM 363 N ALA A 25 7.126 3.189 -3.683 1.00 0.00 N ATOM 364 CA ALA A 25 7.257 1.774 -4.015 1.00 0.00 C ATOM 365 C ALA A 25 6.263 1.340 -5.092 1.00 0.00 C ATOM 366 O ALA A 25 6.246 0.177 -5.493 1.00 0.00 O ATOM 367 CB ALA A 25 7.086 0.927 -2.763 1.00 0.00 C ATOM 0 H ALA A 25 6.606 3.373 -2.825 1.00 0.00 H new ATOM 0 HA ALA A 25 8.257 1.623 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.185 -0.127 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.851 1.196 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.099 1.105 -2.336 1.00 0.00 H new ATOM 373 N PHE A 26 5.432 2.272 -5.556 1.00 0.00 N ATOM 374 CA PHE A 26 4.435 1.974 -6.585 1.00 0.00 C ATOM 375 C PHE A 26 5.030 1.146 -7.724 1.00 0.00 C ATOM 376 O PHE A 26 4.542 0.058 -8.033 1.00 0.00 O ATOM 377 CB PHE A 26 3.853 3.273 -7.144 1.00 0.00 C ATOM 378 CG PHE A 26 2.367 3.227 -7.360 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.839 2.694 -8.525 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.499 3.720 -6.399 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.473 2.652 -8.727 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.133 3.682 -6.595 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.381 3.147 -7.761 1.00 0.00 C ATOM 0 H PHE A 26 5.429 3.240 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 26 3.644 1.388 -6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.086 4.089 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.342 3.501 -8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.503 2.307 -9.284 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.896 4.139 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.074 2.233 -9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.533 4.070 -5.838 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.449 3.116 -7.917 1.00 0.00 H new ATOM 393 N ASP A 27 6.080 1.670 -8.349 1.00 0.00 N ATOM 394 CA ASP A 27 6.733 0.981 -9.458 1.00 0.00 C ATOM 395 C ASP A 27 7.438 -0.288 -8.987 1.00 0.00 C ATOM 396 O ASP A 27 7.233 -1.365 -9.545 1.00 0.00 O ATOM 397 CB ASP A 27 7.735 1.910 -10.144 1.00 0.00 C ATOM 398 CG ASP A 27 8.652 2.606 -9.157 1.00 0.00 C ATOM 399 OD1 ASP A 27 8.143 3.372 -8.312 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.879 2.383 -9.227 1.00 0.00 O ATOM 0 H ASP A 27 6.497 2.569 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 27 5.961 0.695 -10.172 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.335 1.335 -10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.194 2.659 -10.723 1.00 0.00 H new ATOM 405 N MET A 28 8.270 -0.154 -7.960 1.00 0.00 N ATOM 406 CA MET A 28 9.009 -1.292 -7.420 1.00 0.00 C ATOM 407 C MET A 28 8.062 -2.407 -6.982 1.00 0.00 C ATOM 408 O MET A 28 8.433 -3.580 -6.975 1.00 0.00 O ATOM 409 CB MET A 28 9.878 -0.847 -6.241 1.00 0.00 C ATOM 410 CG MET A 28 11.321 -1.316 -6.339 1.00 0.00 C ATOM 411 SD MET A 28 12.136 -0.743 -7.842 1.00 0.00 S ATOM 412 CE MET A 28 13.207 0.532 -7.182 1.00 0.00 C ATOM 0 H MET A 28 8.450 0.730 -7.484 1.00 0.00 H new ATOM 0 HA MET A 28 9.651 -1.682 -8.210 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.862 0.241 -6.178 1.00 0.00 H new ATOM 0 HB3 MET A 28 9.443 -1.226 -5.316 1.00 0.00 H new ATOM 0 HG2 MET A 28 11.875 -0.959 -5.471 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.348 -2.405 -6.308 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.981 0.771 -7.912 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.620 1.426 -6.970 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.672 0.176 -6.263 1.00 0.00 H new ATOM 422 N PHE A 29 6.840 -2.034 -6.617 1.00 0.00 N ATOM 423 CA PHE A 29 5.845 -3.003 -6.178 1.00 0.00 C ATOM 424 C PHE A 29 5.551 -4.018 -7.279 1.00 0.00 C ATOM 425 O PHE A 29 5.997 -5.163 -7.216 1.00 0.00 O ATOM 426 CB PHE A 29 4.555 -2.289 -5.768 1.00 0.00 C ATOM 427 CG PHE A 29 4.468 -2.000 -4.296 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.602 -3.019 -3.367 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.250 -0.708 -3.844 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.519 -2.754 -2.012 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.167 -0.439 -2.491 1.00 0.00 C ATOM 432 CZ PHE A 29 4.302 -1.463 -1.575 1.00 0.00 C ATOM 0 H PHE A 29 6.516 -1.067 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 29 6.247 -3.536 -5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.478 -1.352 -6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.702 -2.902 -6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.773 -4.031 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.144 0.097 -4.556 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.624 -3.556 -1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.997 0.572 -2.150 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.238 -1.254 -0.517 1.00 0.00 H new ATOM 442 N ASP A 30 4.797 -3.587 -8.286 1.00 0.00 N ATOM 443 CA ASP A 30 4.444 -4.456 -9.401 1.00 0.00 C ATOM 444 C ASP A 30 5.691 -4.973 -10.106 1.00 0.00 C ATOM 445 O ASP A 30 6.486 -4.197 -10.637 1.00 0.00 O ATOM 446 CB ASP A 30 3.555 -3.709 -10.397 1.00 0.00 C ATOM 447 CG ASP A 30 2.162 -3.460 -9.856 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.530 -4.424 -9.374 1.00 0.00 O ATOM 449 OD2 ASP A 30 1.701 -2.300 -9.912 1.00 0.00 O ATOM 0 H ASP A 30 4.420 -2.642 -8.352 1.00 0.00 H new ATOM 0 HA ASP A 30 3.895 -5.309 -9.002 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.019 -2.756 -10.650 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.486 -4.284 -11.320 1.00 0.00 H new ATOM 454 N ALA A 31 5.854 -6.290 -10.109 1.00 0.00 N ATOM 455 CA ALA A 31 7.002 -6.919 -10.748 1.00 0.00 C ATOM 456 C ALA A 31 6.831 -6.957 -12.262 1.00 0.00 C ATOM 457 O ALA A 31 7.686 -6.477 -13.007 1.00 0.00 O ATOM 458 CB ALA A 31 7.205 -8.324 -10.203 1.00 0.00 C ATOM 0 H ALA A 31 5.203 -6.945 -9.675 1.00 0.00 H new ATOM 0 HA ALA A 31 7.886 -6.323 -10.522 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.066 -8.782 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.379 -8.276 -9.128 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.316 -8.923 -10.400 1.00 0.00 H new ATOM 464 N ASP A 32 5.720 -7.529 -12.712 1.00 0.00 N ATOM 465 CA ASP A 32 5.433 -7.630 -14.137 1.00 0.00 C ATOM 466 C ASP A 32 4.854 -6.322 -14.667 1.00 0.00 C ATOM 467 O ASP A 32 5.053 -5.969 -15.829 1.00 0.00 O ATOM 468 CB ASP A 32 4.455 -8.776 -14.403 1.00 0.00 C ATOM 469 CG ASP A 32 3.158 -8.620 -13.633 1.00 0.00 C ATOM 470 OD1 ASP A 32 3.220 -8.323 -12.422 1.00 0.00 O ATOM 471 OD2 ASP A 32 2.082 -8.793 -14.242 1.00 0.00 O ATOM 0 H ASP A 32 5.002 -7.930 -12.109 1.00 0.00 H new ATOM 0 HA ASP A 32 6.369 -7.832 -14.657 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.237 -8.824 -15.470 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.925 -9.721 -14.131 1.00 0.00 H new ATOM 497 N ASP A 36 -1.845 -6.185 -10.375 1.00 0.00 N ATOM 498 CA ASP A 36 -1.890 -5.604 -9.039 1.00 0.00 C ATOM 499 C ASP A 36 -0.761 -6.149 -8.170 1.00 0.00 C ATOM 500 O ASP A 36 0.051 -6.957 -8.622 1.00 0.00 O ATOM 501 CB ASP A 36 -3.238 -5.895 -8.379 1.00 0.00 C ATOM 502 CG ASP A 36 -4.343 -5.006 -8.911 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.033 -3.891 -9.381 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.519 -5.424 -8.857 1.00 0.00 O ATOM 0 HA ASP A 36 -1.764 -4.526 -9.136 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.503 -6.939 -8.545 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.150 -5.756 -7.302 1.00 0.00 H new ATOM 509 N ILE A 37 -0.715 -5.700 -6.920 1.00 0.00 N ATOM 510 CA ILE A 37 0.312 -6.140 -5.985 1.00 0.00 C ATOM 511 C ILE A 37 -0.114 -7.414 -5.261 1.00 0.00 C ATOM 512 O ILE A 37 -1.026 -7.396 -4.435 1.00 0.00 O ATOM 513 CB ILE A 37 0.627 -5.042 -4.946 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.200 -3.805 -5.640 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.592 -5.559 -3.885 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.586 -2.700 -4.680 1.00 0.00 C ATOM 0 H ILE A 37 -1.379 -5.030 -6.531 1.00 0.00 H new ATOM 0 HA ILE A 37 1.210 -6.345 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.302 -4.763 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.077 -4.096 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.465 -3.421 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.799 -4.768 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.146 -6.410 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.523 -5.869 -4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.985 -1.854 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.707 -2.382 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.344 -3.067 -3.989 1.00 0.00 H new ATOM 528 N SER A 38 0.556 -8.518 -5.574 1.00 0.00 N ATOM 529 CA SER A 38 0.253 -9.801 -4.951 1.00 0.00 C ATOM 530 C SER A 38 0.876 -9.887 -3.559 1.00 0.00 C ATOM 531 O SER A 38 1.265 -8.872 -2.981 1.00 0.00 O ATOM 532 CB SER A 38 0.762 -10.948 -5.827 1.00 0.00 C ATOM 533 OG SER A 38 -0.070 -12.089 -5.708 1.00 0.00 O ATOM 0 H SER A 38 1.313 -8.550 -6.256 1.00 0.00 H new ATOM 0 HA SER A 38 -0.829 -9.886 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.797 -10.627 -6.868 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.781 -11.206 -5.538 1.00 0.00 H new ATOM 0 HG SER A 38 0.276 -12.807 -6.279 1.00 0.00 H new ATOM 539 N THR A 39 0.968 -11.102 -3.026 1.00 0.00 N ATOM 540 CA THR A 39 1.543 -11.314 -1.701 1.00 0.00 C ATOM 541 C THR A 39 3.064 -11.192 -1.740 1.00 0.00 C ATOM 542 O THR A 39 3.680 -10.695 -0.798 1.00 0.00 O ATOM 543 CB THR A 39 1.145 -12.691 -1.163 1.00 0.00 C ATOM 544 OG1 THR A 39 0.781 -13.561 -2.222 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.012 -12.641 -0.187 1.00 0.00 C ATOM 0 H THR A 39 0.652 -11.954 -3.490 1.00 0.00 H new ATOM 0 HA THR A 39 1.152 -10.544 -1.036 1.00 0.00 H new ATOM 0 HB THR A 39 2.026 -13.060 -0.638 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.671 -14.471 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.243 -13.650 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.259 -12.021 0.667 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.886 -12.216 -0.681 1.00 0.00 H new ATOM 553 N LYS A 40 3.663 -11.650 -2.834 1.00 0.00 N ATOM 554 CA LYS A 40 5.113 -11.593 -2.991 1.00 0.00 C ATOM 555 C LYS A 40 5.565 -10.200 -3.420 1.00 0.00 C ATOM 556 O LYS A 40 6.640 -9.740 -3.036 1.00 0.00 O ATOM 557 CB LYS A 40 5.574 -12.633 -4.016 1.00 0.00 C ATOM 558 CG LYS A 40 6.253 -13.841 -3.392 1.00 0.00 C ATOM 559 CD LYS A 40 7.299 -14.433 -4.322 1.00 0.00 C ATOM 560 CE LYS A 40 8.683 -13.876 -4.031 1.00 0.00 C ATOM 561 NZ LYS A 40 9.750 -14.887 -4.267 1.00 0.00 N ATOM 0 H LYS A 40 3.169 -12.064 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 40 5.567 -11.816 -2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.713 -12.969 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.263 -12.161 -4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.723 -13.551 -2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.505 -14.598 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.312 -15.517 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.030 -14.220 -5.357 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.863 -13.005 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.727 -13.536 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.678 -14.468 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.593 -15.708 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.725 -15.193 -5.261 1.00 0.00 H new ATOM 575 N GLU A 41 4.738 -9.534 -4.218 1.00 0.00 N ATOM 576 CA GLU A 41 5.052 -8.193 -4.701 1.00 0.00 C ATOM 577 C GLU A 41 5.292 -7.235 -3.538 1.00 0.00 C ATOM 578 O GLU A 41 6.164 -6.370 -3.603 1.00 0.00 O ATOM 579 CB GLU A 41 3.918 -7.670 -5.585 1.00 0.00 C ATOM 580 CG GLU A 41 4.301 -7.546 -7.051 1.00 0.00 C ATOM 581 CD GLU A 41 3.420 -8.383 -7.959 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.196 -8.434 -7.715 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.954 -8.987 -8.912 1.00 0.00 O ATOM 0 H GLU A 41 3.844 -9.901 -4.545 1.00 0.00 H new ATOM 0 HA GLU A 41 5.967 -8.251 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.061 -8.338 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.601 -6.694 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.236 -6.500 -7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.340 -7.851 -7.178 1.00 0.00 H new ATOM 590 N LEU A 42 4.507 -7.394 -2.479 1.00 0.00 N ATOM 591 CA LEU A 42 4.632 -6.542 -1.303 1.00 0.00 C ATOM 592 C LEU A 42 5.935 -6.817 -0.560 1.00 0.00 C ATOM 593 O LEU A 42 6.753 -5.917 -0.368 1.00 0.00 O ATOM 594 CB LEU A 42 3.441 -6.754 -0.365 1.00 0.00 C ATOM 595 CG LEU A 42 2.861 -5.475 0.242 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.947 -4.678 0.946 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.191 -4.633 -0.834 1.00 0.00 C ATOM 0 H LEU A 42 3.778 -8.104 -2.411 1.00 0.00 H new ATOM 0 HA LEU A 42 4.643 -5.505 -1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.652 -7.268 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.749 -7.416 0.445 1.00 0.00 H new ATOM 0 HG LEU A 42 2.109 -5.753 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.516 -3.772 1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.382 -5.281 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.723 -4.409 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.784 -3.727 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.924 -4.364 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.385 -5.205 -1.294 1.00 0.00 H new ATOM 609 N GLY A 43 6.125 -8.066 -0.145 1.00 0.00 N ATOM 610 CA GLY A 43 7.330 -8.440 0.575 1.00 0.00 C ATOM 611 C GLY A 43 8.598 -8.003 -0.136 1.00 0.00 C ATOM 612 O GLY A 43 9.626 -7.772 0.501 1.00 0.00 O ATOM 0 H GLY A 43 5.464 -8.828 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.306 -7.997 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.348 -9.522 0.708 1.00 0.00 H new ATOM 616 N THR A 44 8.524 -7.892 -1.457 1.00 0.00 N ATOM 617 CA THR A 44 9.672 -7.480 -2.258 1.00 0.00 C ATOM 618 C THR A 44 10.202 -6.124 -1.793 1.00 0.00 C ATOM 619 O THR A 44 11.227 -6.042 -1.118 1.00 0.00 O ATOM 620 CB THR A 44 9.282 -7.425 -3.743 1.00 0.00 C ATOM 621 OG1 THR A 44 9.460 -8.692 -4.352 1.00 0.00 O ATOM 622 CG2 THR A 44 10.072 -6.416 -4.555 1.00 0.00 C ATOM 0 H THR A 44 7.680 -8.082 -1.997 1.00 0.00 H new ATOM 0 HA THR A 44 10.467 -8.214 -2.128 1.00 0.00 H new ATOM 0 HB THR A 44 8.236 -7.117 -3.745 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.700 -9.270 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.736 -6.440 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.916 -5.418 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.132 -6.664 -4.512 1.00 0.00 H new ATOM 630 N VAL A 45 9.495 -5.065 -2.169 1.00 0.00 N ATOM 631 CA VAL A 45 9.885 -3.710 -1.806 1.00 0.00 C ATOM 632 C VAL A 45 9.903 -3.519 -0.291 1.00 0.00 C ATOM 633 O VAL A 45 10.621 -2.663 0.225 1.00 0.00 O ATOM 634 CB VAL A 45 8.932 -2.678 -2.440 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.496 -2.969 -2.040 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.329 -1.261 -2.053 1.00 0.00 C ATOM 0 H VAL A 45 8.644 -5.121 -2.728 1.00 0.00 H new ATOM 0 HA VAL A 45 10.894 -3.553 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 45 9.009 -2.760 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.835 -2.232 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.218 -3.966 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.403 -2.918 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.641 -0.552 -2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.288 -1.155 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.343 -1.060 -2.399 1.00 0.00 H new ATOM 646 N MET A 46 9.110 -4.317 0.418 1.00 0.00 N ATOM 647 CA MET A 46 9.044 -4.221 1.872 1.00 0.00 C ATOM 648 C MET A 46 10.274 -4.847 2.522 1.00 0.00 C ATOM 649 O MET A 46 10.724 -4.398 3.576 1.00 0.00 O ATOM 650 CB MET A 46 7.775 -4.899 2.399 1.00 0.00 C ATOM 651 CG MET A 46 6.598 -3.949 2.555 1.00 0.00 C ATOM 652 SD MET A 46 6.951 -2.591 3.689 1.00 0.00 S ATOM 653 CE MET A 46 5.382 -2.442 4.540 1.00 0.00 C ATOM 0 H MET A 46 8.508 -5.033 0.012 1.00 0.00 H new ATOM 0 HA MET A 46 9.017 -3.163 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.494 -5.704 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.992 -5.357 3.364 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.331 -3.543 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.733 -4.504 2.917 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.302 -1.450 4.985 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.568 -2.587 3.830 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.320 -3.198 5.323 1.00 0.00 H new ATOM 663 N ARG A 47 10.808 -5.889 1.894 1.00 0.00 N ATOM 664 CA ARG A 47 11.980 -6.580 2.420 1.00 0.00 C ATOM 665 C ARG A 47 13.278 -5.899 1.989 1.00 0.00 C ATOM 666 O ARG A 47 14.296 -6.002 2.673 1.00 0.00 O ATOM 667 CB ARG A 47 11.983 -8.039 1.962 1.00 0.00 C ATOM 668 CG ARG A 47 10.924 -8.892 2.642 1.00 0.00 C ATOM 669 CD ARG A 47 10.730 -10.219 1.925 1.00 0.00 C ATOM 670 NE ARG A 47 11.427 -11.312 2.599 1.00 0.00 N ATOM 671 CZ ARG A 47 12.714 -11.601 2.413 1.00 0.00 C ATOM 672 NH1 ARG A 47 13.451 -10.881 1.574 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.267 -12.612 3.068 1.00 0.00 N ATOM 0 H ARG A 47 10.448 -6.274 1.020 1.00 0.00 H new ATOM 0 HA ARG A 47 11.925 -6.540 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.828 -8.073 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 47 12.965 -8.470 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.213 -9.076 3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.979 -8.349 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.666 -10.448 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.093 -10.134 0.901 1.00 0.00 H new ATOM 0 HE ARG A 47 10.896 -11.889 3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.032 -10.101 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.436 -11.108 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.707 -13.168 3.714 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.252 -12.834 2.926 1.00 0.00 H new ATOM 687 N MET A 48 13.242 -5.212 0.852 1.00 0.00 N ATOM 688 CA MET A 48 14.424 -4.527 0.342 1.00 0.00 C ATOM 689 C MET A 48 14.464 -3.064 0.779 1.00 0.00 C ATOM 690 O MET A 48 15.285 -2.288 0.291 1.00 0.00 O ATOM 691 CB MET A 48 14.475 -4.617 -1.184 1.00 0.00 C ATOM 692 CG MET A 48 13.306 -3.931 -1.873 1.00 0.00 C ATOM 693 SD MET A 48 13.829 -2.825 -3.197 1.00 0.00 S ATOM 694 CE MET A 48 12.499 -1.627 -3.176 1.00 0.00 C ATOM 0 H MET A 48 12.411 -5.115 0.268 1.00 0.00 H new ATOM 0 HA MET A 48 15.297 -5.026 0.763 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.406 -4.171 -1.535 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.494 -5.667 -1.477 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.636 -4.687 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.737 -3.365 -1.136 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.704 -0.843 -3.905 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.560 -2.121 -3.428 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.422 -1.186 -2.182 1.00 0.00 H new ATOM 704 N LEU A 49 13.576 -2.686 1.696 1.00 0.00 N ATOM 705 CA LEU A 49 13.527 -1.312 2.181 1.00 0.00 C ATOM 706 C LEU A 49 13.756 -1.251 3.688 1.00 0.00 C ATOM 707 O LEU A 49 14.477 -0.382 4.179 1.00 0.00 O ATOM 708 CB LEU A 49 12.184 -0.670 1.831 1.00 0.00 C ATOM 709 CG LEU A 49 12.060 -0.169 0.390 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.769 0.613 0.207 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.261 0.689 0.015 1.00 0.00 C ATOM 0 H LEU A 49 12.885 -3.309 2.115 1.00 0.00 H new ATOM 0 HA LEU A 49 14.326 -0.757 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.392 -1.396 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.012 0.168 2.507 1.00 0.00 H new ATOM 0 HG LEU A 49 12.036 -1.034 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.698 0.962 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.919 -0.031 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.764 1.470 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.154 1.035 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.317 1.548 0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.173 0.098 0.106 1.00 0.00 H new ATOM 723 N GLY A 50 13.138 -2.173 4.418 1.00 0.00 N ATOM 724 CA GLY A 50 13.294 -2.195 5.862 1.00 0.00 C ATOM 725 C GLY A 50 12.342 -3.163 6.538 1.00 0.00 C ATOM 726 O GLY A 50 12.722 -3.862 7.477 1.00 0.00 O ATOM 0 H GLY A 50 12.534 -2.903 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.320 -2.469 6.109 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.128 -1.193 6.257 1.00 0.00 H new ATOM 730 N GLN A 51 11.103 -3.204 6.062 1.00 0.00 N ATOM 731 CA GLN A 51 10.098 -4.095 6.630 1.00 0.00 C ATOM 732 C GLN A 51 10.449 -5.550 6.345 1.00 0.00 C ATOM 733 O GLN A 51 11.259 -5.841 5.467 1.00 0.00 O ATOM 734 CB GLN A 51 8.715 -3.767 6.062 1.00 0.00 C ATOM 735 CG GLN A 51 7.604 -3.827 7.096 1.00 0.00 C ATOM 736 CD GLN A 51 7.243 -2.459 7.643 1.00 0.00 C ATOM 737 OE1 GLN A 51 6.958 -1.531 6.888 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.255 -2.329 8.964 1.00 0.00 N ATOM 0 H GLN A 51 10.771 -2.632 5.286 1.00 0.00 H new ATOM 0 HA GLN A 51 10.080 -3.947 7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.739 -2.769 5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.488 -4.464 5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.720 -4.280 6.648 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.912 -4.473 7.918 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.498 -3.126 9.553 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.022 -1.432 9.390 1.00 0.00 H new ATOM 747 N ASN A 52 9.844 -6.464 7.094 1.00 0.00 N ATOM 748 CA ASN A 52 10.107 -7.885 6.912 1.00 0.00 C ATOM 749 C ASN A 52 8.846 -8.721 7.139 1.00 0.00 C ATOM 750 O ASN A 52 8.874 -9.715 7.864 1.00 0.00 O ATOM 751 CB ASN A 52 11.217 -8.337 7.862 1.00 0.00 C ATOM 752 CG ASN A 52 12.295 -9.133 7.154 1.00 0.00 C ATOM 753 OD1 ASN A 52 13.223 -8.566 6.575 1.00 0.00 O ATOM 754 ND2 ASN A 52 12.178 -10.455 7.196 1.00 0.00 N ATOM 0 H ASN A 52 9.171 -6.248 7.830 1.00 0.00 H new ATOM 0 HA ASN A 52 10.428 -8.039 5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.666 -7.463 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.785 -8.943 8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.873 -11.043 6.737 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.393 -10.882 7.687 1.00 0.00 H new ATOM 761 N PRO A 53 7.720 -8.335 6.515 1.00 0.00 N ATOM 762 CA PRO A 53 6.459 -9.065 6.657 1.00 0.00 C ATOM 763 C PRO A 53 6.451 -10.356 5.845 1.00 0.00 C ATOM 764 O PRO A 53 6.372 -10.329 4.617 1.00 0.00 O ATOM 765 CB PRO A 53 5.428 -8.080 6.110 1.00 0.00 C ATOM 766 CG PRO A 53 6.178 -7.278 5.103 1.00 0.00 C ATOM 767 CD PRO A 53 7.587 -7.167 5.623 1.00 0.00 C ATOM 0 HA PRO A 53 6.271 -9.374 7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.584 -8.600 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.024 -7.448 6.901 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.160 -7.763 4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.730 -6.292 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.317 -7.195 4.814 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.744 -6.232 6.161 1.00 0.00 H new ATOM 775 N THR A 54 6.536 -11.487 6.540 1.00 0.00 N ATOM 776 CA THR A 54 6.542 -12.790 5.884 1.00 0.00 C ATOM 777 C THR A 54 5.263 -13.001 5.080 1.00 0.00 C ATOM 778 O THR A 54 4.427 -12.104 4.976 1.00 0.00 O ATOM 779 CB THR A 54 6.698 -13.904 6.919 1.00 0.00 C ATOM 780 OG1 THR A 54 7.293 -13.408 8.105 1.00 0.00 O ATOM 781 CG2 THR A 54 7.544 -15.060 6.430 1.00 0.00 C ATOM 0 H THR A 54 6.602 -11.527 7.557 1.00 0.00 H new ATOM 0 HA THR A 54 7.389 -12.820 5.198 1.00 0.00 H new ATOM 0 HB THR A 54 5.688 -14.267 7.107 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.382 -14.136 8.755 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.615 -15.816 7.212 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.085 -15.497 5.543 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.543 -14.701 6.182 1.00 0.00 H new ATOM 789 N LYS A 55 5.119 -14.194 4.512 1.00 0.00 N ATOM 790 CA LYS A 55 3.944 -14.526 3.717 1.00 0.00 C ATOM 791 C LYS A 55 2.670 -14.397 4.548 1.00 0.00 C ATOM 792 O LYS A 55 1.619 -14.016 4.034 1.00 0.00 O ATOM 793 CB LYS A 55 4.064 -15.947 3.159 1.00 0.00 C ATOM 794 CG LYS A 55 3.826 -16.033 1.659 1.00 0.00 C ATOM 795 CD LYS A 55 2.422 -16.525 1.342 1.00 0.00 C ATOM 796 CE LYS A 55 1.578 -15.433 0.702 1.00 0.00 C ATOM 797 NZ LYS A 55 0.232 -15.931 0.306 1.00 0.00 N ATOM 0 H LYS A 55 5.803 -14.947 4.588 1.00 0.00 H new ATOM 0 HA LYS A 55 3.887 -13.822 2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.058 -16.334 3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.348 -16.591 3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.979 -15.052 1.209 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.558 -16.706 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.479 -17.382 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.941 -16.868 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.467 -14.604 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.094 -15.043 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.060 -15.708 -0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.189 -16.961 0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.494 -15.473 0.893 1.00 0.00 H new ATOM 811 N CYS A 56 2.774 -14.714 5.835 1.00 0.00 N ATOM 812 CA CYS A 56 1.632 -14.631 6.737 1.00 0.00 C ATOM 813 C CYS A 56 1.372 -13.188 7.155 1.00 0.00 C ATOM 814 O CYS A 56 0.222 -12.765 7.280 1.00 0.00 O ATOM 815 CB CYS A 56 1.871 -15.497 7.976 1.00 0.00 C ATOM 816 SG CYS A 56 1.737 -17.275 7.669 1.00 0.00 S ATOM 0 H CYS A 56 3.638 -15.031 6.276 1.00 0.00 H new ATOM 0 HA CYS A 56 0.754 -15.000 6.206 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.863 -15.281 8.372 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.153 -15.217 8.746 1.00 0.00 H new ATOM 0 HG CYS A 56 1.957 -17.924 8.774 1.00 0.00 H new ATOM 822 N GLU A 57 2.447 -12.436 7.369 1.00 0.00 N ATOM 823 CA GLU A 57 2.337 -11.038 7.771 1.00 0.00 C ATOM 824 C GLU A 57 1.536 -10.239 6.750 1.00 0.00 C ATOM 825 O GLU A 57 0.612 -9.507 7.102 1.00 0.00 O ATOM 826 CB GLU A 57 3.726 -10.422 7.931 1.00 0.00 C ATOM 827 CG GLU A 57 4.601 -11.151 8.937 1.00 0.00 C ATOM 828 CD GLU A 57 3.973 -11.220 10.315 1.00 0.00 C ATOM 829 OE1 GLU A 57 4.136 -10.256 11.091 1.00 0.00 O ATOM 830 OE2 GLU A 57 3.316 -12.239 10.616 1.00 0.00 O ATOM 0 H GLU A 57 3.405 -12.772 7.271 1.00 0.00 H new ATOM 0 HA GLU A 57 1.815 -11.003 8.727 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.226 -10.417 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.620 -9.382 8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.794 -12.162 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.565 -10.648 9.006 1.00 0.00 H new ATOM 837 N LEU A 58 1.902 -10.387 5.482 1.00 0.00 N ATOM 838 CA LEU A 58 1.223 -9.681 4.404 1.00 0.00 C ATOM 839 C LEU A 58 -0.170 -10.262 4.166 1.00 0.00 C ATOM 840 O LEU A 58 -1.057 -9.578 3.656 1.00 0.00 O ATOM 841 CB LEU A 58 2.057 -9.748 3.122 1.00 0.00 C ATOM 842 CG LEU A 58 3.558 -9.506 3.314 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.363 -10.341 2.331 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.888 -8.028 3.155 1.00 0.00 C ATOM 0 H LEU A 58 2.666 -10.990 5.176 1.00 0.00 H new ATOM 0 HA LEU A 58 1.109 -8.637 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.917 -10.728 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.672 -9.011 2.417 1.00 0.00 H new ATOM 0 HG LEU A 58 3.827 -9.810 4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.427 -10.156 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.152 -11.398 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.089 -10.068 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.958 -7.877 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.602 -7.697 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.340 -7.451 3.899 1.00 0.00 H new ATOM 856 N ASP A 59 -0.359 -11.523 4.549 1.00 0.00 N ATOM 857 CA ASP A 59 -1.649 -12.186 4.386 1.00 0.00 C ATOM 858 C ASP A 59 -2.691 -11.569 5.304 1.00 0.00 C ATOM 859 O ASP A 59 -3.881 -11.560 4.991 1.00 0.00 O ATOM 860 CB ASP A 59 -1.519 -13.685 4.669 1.00 0.00 C ATOM 861 CG ASP A 59 -2.109 -14.535 3.561 1.00 0.00 C ATOM 862 OD1 ASP A 59 -3.341 -14.743 3.564 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.340 -14.991 2.689 1.00 0.00 O ATOM 0 H ASP A 59 0.364 -12.104 4.973 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.973 -12.050 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.466 -13.938 4.796 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.019 -13.919 5.609 1.00 0.00 H new ATOM 868 N ALA A 60 -2.239 -11.045 6.436 1.00 0.00 N ATOM 869 CA ALA A 60 -3.142 -10.419 7.386 1.00 0.00 C ATOM 870 C ALA A 60 -3.596 -9.054 6.881 1.00 0.00 C ATOM 871 O ALA A 60 -4.664 -8.567 7.252 1.00 0.00 O ATOM 872 CB ALA A 60 -2.477 -10.293 8.749 1.00 0.00 C ATOM 0 H ALA A 60 -1.258 -11.042 6.715 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.023 -11.052 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.167 -9.822 9.449 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.208 -11.284 9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.578 -9.683 8.660 1.00 0.00 H new ATOM 878 N ILE A 61 -2.779 -8.445 6.025 1.00 0.00 N ATOM 879 CA ILE A 61 -3.092 -7.146 5.462 1.00 0.00 C ATOM 880 C ILE A 61 -3.914 -7.299 4.183 1.00 0.00 C ATOM 881 O ILE A 61 -5.012 -6.754 4.074 1.00 0.00 O ATOM 882 CB ILE A 61 -1.802 -6.350 5.166 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.159 -5.881 6.471 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.090 -5.166 4.259 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.201 -6.889 7.069 1.00 0.00 C ATOM 0 H ILE A 61 -1.892 -8.838 5.709 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.680 -6.595 6.196 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.105 -7.009 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.625 -4.948 6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.944 -5.663 7.196 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.165 -4.622 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.505 -5.522 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.807 -4.503 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.218 -6.490 7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.734 -7.815 7.283 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.604 -7.089 6.362 1.00 0.00 H new ATOM 897 N ILE A 62 -3.378 -8.049 3.219 1.00 0.00 N ATOM 898 CA ILE A 62 -4.071 -8.273 1.952 1.00 0.00 C ATOM 899 C ILE A 62 -5.514 -8.709 2.189 1.00 0.00 C ATOM 900 O ILE A 62 -6.430 -8.257 1.503 1.00 0.00 O ATOM 901 CB ILE A 62 -3.356 -9.334 1.088 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.957 -8.843 0.705 1.00 0.00 C ATOM 903 CG2 ILE A 62 -4.176 -9.652 -0.160 1.00 0.00 C ATOM 904 CD1 ILE A 62 -1.239 -9.753 -0.268 1.00 0.00 C ATOM 0 H ILE A 62 -2.471 -8.509 3.292 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.061 -7.324 1.416 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.257 -10.250 1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.038 -7.848 0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.356 -8.745 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.656 -10.402 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.153 -10.036 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.306 -8.745 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.255 -9.341 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.126 -10.742 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.818 -9.832 -1.188 1.00 0.00 H new ATOM 916 N CYS A 63 -5.709 -9.586 3.169 1.00 0.00 N ATOM 917 CA CYS A 63 -7.042 -10.076 3.499 1.00 0.00 C ATOM 918 C CYS A 63 -8.008 -8.910 3.700 1.00 0.00 C ATOM 919 O CYS A 63 -9.204 -9.027 3.437 1.00 0.00 O ATOM 920 CB CYS A 63 -6.989 -10.943 4.757 1.00 0.00 C ATOM 921 SG CYS A 63 -8.398 -12.061 4.944 1.00 0.00 S ATOM 0 H CYS A 63 -4.962 -9.971 3.747 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.403 -10.683 2.669 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.072 -11.532 4.741 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.936 -10.294 5.631 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.261 -12.753 6.036 1.00 0.00 H new ATOM 927 N GLU A 64 -7.470 -7.781 4.151 1.00 0.00 N ATOM 928 CA GLU A 64 -8.272 -6.584 4.371 1.00 0.00 C ATOM 929 C GLU A 64 -8.174 -5.656 3.165 1.00 0.00 C ATOM 930 O GLU A 64 -9.133 -4.968 2.815 1.00 0.00 O ATOM 931 CB GLU A 64 -7.809 -5.856 5.635 1.00 0.00 C ATOM 932 CG GLU A 64 -8.134 -6.602 6.918 1.00 0.00 C ATOM 933 CD GLU A 64 -8.445 -5.669 8.073 1.00 0.00 C ATOM 934 OE1 GLU A 64 -7.659 -4.726 8.301 1.00 0.00 O ATOM 935 OE2 GLU A 64 -9.473 -5.882 8.748 1.00 0.00 O ATOM 0 H GLU A 64 -6.480 -7.671 4.371 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.312 -6.882 4.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.732 -5.697 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.275 -4.871 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.987 -7.258 6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.291 -7.239 7.187 1.00 0.00 H new ATOM 942 N VAL A 65 -7.006 -5.653 2.527 1.00 0.00 N ATOM 943 CA VAL A 65 -6.774 -4.824 1.351 1.00 0.00 C ATOM 944 C VAL A 65 -7.659 -5.272 0.194 1.00 0.00 C ATOM 945 O VAL A 65 -8.293 -4.457 -0.476 1.00 0.00 O ATOM 946 CB VAL A 65 -5.301 -4.899 0.894 1.00 0.00 C ATOM 947 CG1 VAL A 65 -5.067 -4.009 -0.315 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.356 -4.532 2.031 1.00 0.00 C ATOM 0 H VAL A 65 -6.204 -6.218 2.807 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.015 -3.798 1.630 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.090 -5.928 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.023 -4.077 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.707 -4.334 -1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.303 -2.976 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.325 -4.593 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.566 -3.516 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.499 -5.224 2.861 1.00 0.00 H new ATOM 958 N ASP A 66 -7.679 -6.580 -0.037 1.00 0.00 N ATOM 959 CA ASP A 66 -8.462 -7.169 -1.115 1.00 0.00 C ATOM 960 C ASP A 66 -9.903 -6.669 -1.115 1.00 0.00 C ATOM 961 O ASP A 66 -10.443 -6.318 -2.162 1.00 0.00 O ATOM 962 CB ASP A 66 -8.438 -8.692 -0.997 1.00 0.00 C ATOM 963 CG ASP A 66 -7.252 -9.300 -1.714 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.916 -8.819 -2.817 1.00 0.00 O ATOM 965 OD2 ASP A 66 -6.657 -10.256 -1.173 1.00 0.00 O ATOM 0 H ASP A 66 -7.155 -7.259 0.516 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.010 -6.863 -2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.408 -8.973 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.360 -9.102 -1.410 1.00 0.00 H new ATOM 970 N GLU A 67 -10.525 -6.648 0.062 1.00 0.00 N ATOM 971 CA GLU A 67 -11.910 -6.196 0.195 1.00 0.00 C ATOM 972 C GLU A 67 -12.802 -6.816 -0.880 1.00 0.00 C ATOM 973 O GLU A 67 -13.802 -6.224 -1.286 1.00 0.00 O ATOM 974 CB GLU A 67 -11.989 -4.667 0.123 1.00 0.00 C ATOM 975 CG GLU A 67 -11.484 -4.088 -1.188 1.00 0.00 C ATOM 976 CD GLU A 67 -11.844 -2.624 -1.355 1.00 0.00 C ATOM 977 OE1 GLU A 67 -12.943 -2.340 -1.874 1.00 0.00 O ATOM 978 OE2 GLU A 67 -11.025 -1.763 -0.968 1.00 0.00 O ATOM 0 H GLU A 67 -10.092 -6.939 0.939 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.271 -6.524 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.024 -4.359 0.271 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.410 -4.243 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.401 -4.200 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.902 -4.658 -2.018 1.00 0.00 H new ATOM 985 N ASP A 68 -12.436 -8.013 -1.336 1.00 0.00 N ATOM 986 CA ASP A 68 -13.208 -8.708 -2.361 1.00 0.00 C ATOM 987 C ASP A 68 -12.798 -10.179 -2.454 1.00 0.00 C ATOM 988 O ASP A 68 -13.648 -11.067 -2.495 1.00 0.00 O ATOM 989 CB ASP A 68 -13.035 -8.021 -3.721 1.00 0.00 C ATOM 990 CG ASP A 68 -11.676 -8.279 -4.348 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.461 -9.400 -4.855 1.00 0.00 O ATOM 992 OD2 ASP A 68 -10.830 -7.360 -4.335 1.00 0.00 O ATOM 0 H ASP A 68 -11.612 -8.519 -1.012 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.260 -8.665 -2.077 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.814 -8.369 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.175 -6.947 -3.600 1.00 0.00 H new ATOM 997 N GLY A 69 -11.493 -10.424 -2.489 1.00 0.00 N ATOM 998 CA GLY A 69 -10.993 -11.785 -2.580 1.00 0.00 C ATOM 999 C GLY A 69 -10.300 -12.060 -3.900 1.00 0.00 C ATOM 1000 O GLY A 69 -10.684 -12.972 -4.632 1.00 0.00 O ATOM 0 H GLY A 69 -10.771 -9.704 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.296 -11.968 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.821 -12.482 -2.456 1.00 0.00 H new ATOM 1004 N SER A 70 -9.277 -11.267 -4.204 1.00 0.00 N ATOM 1005 CA SER A 70 -8.530 -11.424 -5.448 1.00 0.00 C ATOM 1006 C SER A 70 -7.082 -11.831 -5.181 1.00 0.00 C ATOM 1007 O SER A 70 -6.423 -12.411 -6.044 1.00 0.00 O ATOM 1008 CB SER A 70 -8.556 -10.118 -6.245 1.00 0.00 C ATOM 1009 OG SER A 70 -8.641 -8.996 -5.383 1.00 0.00 O ATOM 0 H SER A 70 -8.946 -10.509 -3.606 1.00 0.00 H new ATOM 0 HA SER A 70 -9.008 -12.216 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.657 -10.043 -6.856 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.406 -10.122 -6.927 1.00 0.00 H new ATOM 0 HG SER A 70 -8.005 -9.101 -4.645 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.591 -11.518 -3.985 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.222 -11.851 -3.636 1.00 0.00 C ATOM 1017 C GLY A 71 -4.243 -10.759 -4.026 1.00 0.00 C ATOM 1018 O GLY A 71 -3.088 -10.772 -3.597 1.00 0.00 O ATOM 0 H GLY A 71 -7.116 -11.040 -3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.156 -12.027 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.940 -12.781 -4.130 1.00 0.00 H new ATOM 1022 N THR A 72 -4.701 -9.811 -4.840 1.00 0.00 N ATOM 1023 CA THR A 72 -3.855 -8.710 -5.283 1.00 0.00 C ATOM 1024 C THR A 72 -4.379 -7.376 -4.759 1.00 0.00 C ATOM 1025 O THR A 72 -5.440 -7.316 -4.135 1.00 0.00 O ATOM 1026 CB THR A 72 -3.778 -8.678 -6.810 1.00 0.00 C ATOM 1027 OG1 THR A 72 -4.960 -8.126 -7.360 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.578 -10.045 -7.429 1.00 0.00 C ATOM 0 H THR A 72 -5.653 -9.785 -5.205 1.00 0.00 H new ATOM 0 HA THR A 72 -2.855 -8.870 -4.881 1.00 0.00 H new ATOM 0 HB THR A 72 -2.909 -8.062 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.040 -8.394 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.532 -9.950 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.647 -10.477 -7.063 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.411 -10.693 -7.156 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.627 -6.310 -5.010 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.011 -4.978 -4.556 1.00 0.00 C ATOM 1038 C ILE A 73 -4.215 -4.023 -5.730 1.00 0.00 C ATOM 1039 O ILE A 73 -3.278 -3.725 -6.471 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.949 -4.393 -3.609 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.628 -5.387 -2.492 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.422 -3.069 -3.028 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.478 -4.952 -1.609 1.00 0.00 C ATOM 0 H ILE A 73 -2.748 -6.342 -5.526 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.955 -5.084 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.039 -4.209 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.516 -5.528 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.390 -6.354 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.658 -2.671 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.603 -2.361 -3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.345 -3.226 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.306 -5.704 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.578 -4.839 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.721 -4.000 -1.138 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.446 -3.546 -5.893 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.776 -2.623 -6.975 1.00 0.00 C ATOM 1057 C ASP A 74 -4.956 -1.339 -6.877 1.00 0.00 C ATOM 1058 O ASP A 74 -4.014 -1.251 -6.090 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.269 -2.292 -6.950 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.871 -2.226 -8.340 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.996 -3.290 -8.983 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -8.217 -1.112 -8.785 1.00 0.00 O ATOM 0 H ASP A 74 -6.233 -3.784 -5.289 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.531 -3.111 -7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.796 -3.046 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.418 -1.337 -6.447 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.322 -0.346 -7.685 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.620 0.934 -7.695 1.00 0.00 C ATOM 1069 C PHE A 75 -4.860 1.700 -6.395 1.00 0.00 C ATOM 1070 O PHE A 75 -4.044 1.652 -5.477 1.00 0.00 O ATOM 1071 CB PHE A 75 -5.064 1.774 -8.896 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.998 1.928 -9.944 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.393 0.816 -10.506 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.603 3.188 -10.367 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.413 0.956 -11.471 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -2.623 3.334 -11.330 1.00 0.00 C ATOM 1077 CZ PHE A 75 -2.028 2.216 -11.884 1.00 0.00 C ATOM 0 H PHE A 75 -6.101 -0.404 -8.341 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.552 0.735 -7.780 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.943 1.313 -9.347 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.366 2.762 -8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.690 -0.172 -10.187 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.066 4.065 -9.939 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.949 0.081 -11.901 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.322 4.321 -11.650 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.263 2.328 -12.638 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.986 2.407 -6.317 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.318 3.177 -5.122 1.00 0.00 C ATOM 1089 C GLU A 76 -6.258 2.303 -3.873 1.00 0.00 C ATOM 1090 O GLU A 76 -6.069 2.802 -2.764 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.711 3.795 -5.254 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.736 5.070 -6.081 1.00 0.00 C ATOM 1093 CD GLU A 76 -8.977 5.182 -6.942 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -10.081 5.331 -6.378 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -8.847 5.120 -8.183 1.00 0.00 O ATOM 0 H GLU A 76 -6.680 2.462 -7.063 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.581 3.974 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.382 3.065 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.100 4.010 -4.259 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.681 5.931 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.852 5.103 -6.718 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.422 0.996 -4.061 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.387 0.054 -2.949 1.00 0.00 C ATOM 1104 C GLU A 77 -5.099 0.201 -2.141 1.00 0.00 C ATOM 1105 O GLU A 77 -5.094 -0.023 -0.933 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.529 -1.380 -3.463 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.940 -1.933 -3.334 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.002 -3.434 -3.560 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.317 -4.174 -2.823 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -8.734 -3.869 -4.473 1.00 0.00 O ATOM 0 H GLU A 77 -6.580 0.567 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.226 0.279 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.228 -1.414 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.843 -2.024 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.327 -1.702 -2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.589 -1.434 -4.053 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.012 0.587 -2.814 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.721 0.770 -2.147 1.00 0.00 C ATOM 1119 C PHE A 78 -2.833 1.770 -0.997 1.00 0.00 C ATOM 1120 O PHE A 78 -1.983 1.804 -0.109 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.658 1.249 -3.140 1.00 0.00 C ATOM 1122 CG PHE A 78 -1.543 0.401 -4.375 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -1.509 -0.981 -4.286 1.00 0.00 C ATOM 1124 CD2 PHE A 78 -1.464 0.989 -5.627 1.00 0.00 C ATOM 1125 CE1 PHE A 78 -1.400 -1.760 -5.424 1.00 0.00 C ATOM 1126 CE2 PHE A 78 -1.356 0.217 -6.766 1.00 0.00 C ATOM 1127 CZ PHE A 78 -1.324 -1.160 -6.665 1.00 0.00 C ATOM 0 H PHE A 78 -4.000 0.778 -3.816 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.422 -0.197 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.888 2.273 -3.436 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.691 1.272 -2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.568 -1.455 -3.318 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.487 2.065 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -1.374 -2.837 -5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.297 0.689 -7.735 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.240 -1.766 -7.555 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.889 2.577 -1.011 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.104 3.557 0.043 1.00 0.00 C ATOM 1139 C LEU A 79 -5.034 2.987 1.108 1.00 0.00 C ATOM 1140 O LEU A 79 -4.798 3.151 2.304 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.690 4.845 -0.540 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.822 5.524 -1.605 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.541 5.550 -2.946 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.449 6.936 -1.174 1.00 0.00 C ATOM 0 H LEU A 79 -4.605 2.571 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.145 3.791 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.664 4.620 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.860 5.550 0.273 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.905 4.945 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.908 6.036 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.755 4.530 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.475 6.103 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.833 7.401 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.355 7.524 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.891 6.895 -0.238 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.085 2.302 0.662 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.045 1.694 1.575 1.00 0.00 C ATOM 1158 C VAL A 80 -6.393 0.586 2.390 1.00 0.00 C ATOM 1159 O VAL A 80 -6.719 0.387 3.561 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.256 1.113 0.821 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -9.245 0.485 1.791 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -8.930 2.193 -0.006 1.00 0.00 C ATOM 0 H VAL A 80 -6.292 2.155 -0.326 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.390 2.484 2.242 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.900 0.333 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.092 0.081 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.755 -0.319 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.598 1.242 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.784 1.768 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.271 2.994 0.650 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.220 2.594 -0.729 1.00 0.00 H new ATOM 1172 N MET A 81 -5.464 -0.131 1.766 1.00 0.00 N ATOM 1173 CA MET A 81 -4.755 -1.216 2.430 1.00 0.00 C ATOM 1174 C MET A 81 -4.256 -0.767 3.792 1.00 0.00 C ATOM 1175 O MET A 81 -4.285 -1.516 4.769 1.00 0.00 O ATOM 1176 CB MET A 81 -3.565 -1.663 1.580 1.00 0.00 C ATOM 1177 CG MET A 81 -2.838 -0.523 0.893 1.00 0.00 C ATOM 1178 SD MET A 81 -1.078 -0.845 0.693 1.00 0.00 S ATOM 1179 CE MET A 81 -0.607 -1.040 2.403 1.00 0.00 C ATOM 0 H MET A 81 -5.185 0.022 0.797 1.00 0.00 H new ATOM 0 HA MET A 81 -5.446 -2.050 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 81 -2.860 -2.201 2.214 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.915 -2.366 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.285 -0.349 -0.086 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.973 0.391 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.238 -0.389 2.624 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.447 -0.774 3.044 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.324 -2.077 2.587 1.00 0.00 H new ATOM 1189 N MET A 82 -3.787 0.467 3.828 1.00 0.00 N ATOM 1190 CA MET A 82 -3.259 1.063 5.039 1.00 0.00 C ATOM 1191 C MET A 82 -4.332 1.841 5.797 1.00 0.00 C ATOM 1192 O MET A 82 -4.236 2.021 7.010 1.00 0.00 O ATOM 1193 CB MET A 82 -2.090 1.959 4.674 1.00 0.00 C ATOM 1194 CG MET A 82 -0.792 1.184 4.534 1.00 0.00 C ATOM 1195 SD MET A 82 0.375 1.557 5.847 1.00 0.00 S ATOM 1196 CE MET A 82 0.957 3.137 5.267 1.00 0.00 C ATOM 0 H MET A 82 -3.762 1.084 3.016 1.00 0.00 H new ATOM 0 HA MET A 82 -2.918 0.271 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.307 2.472 3.737 1.00 0.00 H new ATOM 0 HB3 MET A 82 -1.971 2.727 5.438 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.008 0.116 4.537 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.337 1.415 3.571 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.158 3.786 6.119 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.873 2.999 4.692 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.197 3.595 4.634 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.360 2.289 5.080 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.452 3.030 5.700 1.00 0.00 C ATOM 1208 C VAL A 83 -7.273 2.115 6.606 1.00 0.00 C ATOM 1209 O VAL A 83 -7.862 2.562 7.589 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.381 3.663 4.641 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.523 4.423 5.301 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.593 4.578 3.713 1.00 0.00 C ATOM 0 H VAL A 83 -5.458 2.152 4.074 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.005 3.828 6.293 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.811 2.858 4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.162 4.859 4.533 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.109 3.739 5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.117 5.217 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.266 5.014 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.128 5.374 4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.820 4.002 3.204 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.303 0.829 6.265 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.046 -0.154 7.043 1.00 0.00 C ATOM 1224 C ARG A 84 -7.278 -0.555 8.302 1.00 0.00 C ATOM 1225 O ARG A 84 -7.851 -1.120 9.234 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.333 -1.394 6.194 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.178 -1.104 4.964 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.142 -2.243 4.669 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.471 -1.756 4.312 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.371 -1.336 5.198 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -12.088 -1.343 6.495 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.557 -0.909 4.788 1.00 0.00 N ATOM 0 H ARG A 84 -6.820 0.445 5.453 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.989 0.301 7.346 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.388 -1.836 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.843 -2.136 6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.739 -0.182 5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.528 -0.944 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.747 -2.850 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.216 -2.891 5.542 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.725 -1.736 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.177 -1.671 6.817 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.781 -1.020 7.170 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.780 -0.902 3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.246 -0.587 5.468 1.00 0.00 H new ATOM 1246 N GLN A 85 -5.981 -0.257 8.328 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.144 -0.587 9.477 1.00 0.00 C ATOM 1248 C GLN A 85 -4.794 0.673 10.260 1.00 0.00 C ATOM 1249 O GLN A 85 -4.624 0.636 11.478 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.863 -1.291 9.023 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.084 -2.310 7.916 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.056 -3.403 8.314 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.638 -3.366 9.397 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.238 -4.382 7.435 1.00 0.00 N ATOM 0 H GLN A 85 -5.488 0.212 7.568 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.704 -1.261 10.125 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.150 -0.542 8.678 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.411 -1.791 9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.459 -1.801 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.129 -2.760 7.645 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.734 -4.372 6.548 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.882 -5.144 7.646 1.00 0.00 H new ATOM 1263 N MET A 86 -4.693 1.789 9.546 1.00 0.00 N ATOM 1264 CA MET A 86 -4.367 3.067 10.164 1.00 0.00 C ATOM 1265 C MET A 86 -5.502 3.535 11.069 1.00 0.00 C ATOM 1266 O MET A 86 -5.325 3.675 12.279 1.00 0.00 O ATOM 1267 CB MET A 86 -4.093 4.114 9.084 1.00 0.00 C ATOM 1268 CG MET A 86 -2.654 4.119 8.595 1.00 0.00 C ATOM 1269 SD MET A 86 -2.205 5.661 7.774 1.00 0.00 S ATOM 1270 CE MET A 86 -1.741 5.059 6.152 1.00 0.00 C ATOM 0 H MET A 86 -4.833 1.833 8.537 1.00 0.00 H new ATOM 0 HA MET A 86 -3.473 2.937 10.773 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.755 3.933 8.237 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.339 5.101 9.476 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.986 3.954 9.441 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.506 3.288 7.905 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.354 5.884 5.555 1.00 0.00 H new ATOM 0 HE2 MET A 86 -0.972 4.293 6.254 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.614 4.633 5.659 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.667 3.773 10.475 1.00 0.00 N ATOM 1281 CA LYS A 87 -7.834 4.223 11.227 1.00 0.00 C ATOM 1282 C LYS A 87 -8.170 3.245 12.349 1.00 0.00 C ATOM 1283 O LYS A 87 -8.733 3.632 13.373 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.035 4.379 10.293 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.084 5.723 9.584 1.00 0.00 C ATOM 1286 CD LYS A 87 -8.182 5.741 8.361 1.00 0.00 C ATOM 1287 CE LYS A 87 -6.856 6.420 8.658 1.00 0.00 C ATOM 1288 NZ LYS A 87 -6.297 7.100 7.456 1.00 0.00 N ATOM 0 H LYS A 87 -6.829 3.662 9.474 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.599 5.190 11.673 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.010 3.585 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.952 4.247 10.868 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.109 5.940 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.780 6.511 10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.002 4.720 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.684 6.261 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.993 7.149 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.143 5.680 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.273 7.237 7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.469 6.514 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.757 8.025 7.335 1.00 0.00 H new ATOM 1384 N SER B 117 2.173 2.339 10.495 1.00 0.00 N ATOM 1385 CA SER B 117 3.200 3.306 10.124 1.00 0.00 C ATOM 1386 C SER B 117 4.129 2.738 9.058 1.00 0.00 C ATOM 1387 O SER B 117 5.341 2.647 9.257 1.00 0.00 O ATOM 1388 CB SER B 117 4.005 3.725 11.355 1.00 0.00 C ATOM 1389 OG SER B 117 4.014 2.701 12.334 1.00 0.00 O ATOM 0 HA SER B 117 2.703 4.183 9.710 1.00 0.00 H new ATOM 0 HB2 SER B 117 5.028 3.960 11.061 1.00 0.00 H new ATOM 0 HB3 SER B 117 3.579 4.634 11.780 1.00 0.00 H new ATOM 0 HG SER B 117 3.348 2.021 12.102 1.00 0.00 H new ATOM 1395 N ALA B 118 3.554 2.369 7.919 1.00 0.00 N ATOM 1396 CA ALA B 118 4.331 1.824 6.814 1.00 0.00 C ATOM 1397 C ALA B 118 4.977 2.941 5.998 1.00 0.00 C ATOM 1398 O ALA B 118 5.693 2.677 5.032 1.00 0.00 O ATOM 1399 CB ALA B 118 3.453 0.959 5.925 1.00 0.00 C ATOM 0 H ALA B 118 2.553 2.438 7.737 1.00 0.00 H new ATOM 0 HA ALA B 118 5.125 1.205 7.231 1.00 0.00 H new ATOM 0 HB1 ALA B 118 4.048 0.559 5.104 1.00 0.00 H new ATOM 0 HB2 ALA B 118 3.042 0.136 6.510 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.638 1.561 5.523 1.00 0.00 H new ATOM 1405 N ASP B 119 4.721 4.190 6.394 1.00 0.00 N ATOM 1406 CA ASP B 119 5.279 5.348 5.702 1.00 0.00 C ATOM 1407 C ASP B 119 6.765 5.152 5.419 1.00 0.00 C ATOM 1408 O ASP B 119 7.297 5.689 4.449 1.00 0.00 O ATOM 1409 CB ASP B 119 5.070 6.615 6.533 1.00 0.00 C ATOM 1410 CG ASP B 119 5.289 7.879 5.724 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.716 7.984 4.619 1.00 0.00 O ATOM 1412 OD2 ASP B 119 6.035 8.763 6.196 1.00 0.00 O ATOM 0 H ASP B 119 4.130 4.423 7.192 1.00 0.00 H new ATOM 0 HA ASP B 119 4.758 5.455 4.750 1.00 0.00 H new ATOM 0 HB2 ASP B 119 4.058 6.617 6.939 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.754 6.607 7.382 1.00 0.00 H new ATOM 1417 N ALA B 120 7.430 4.375 6.271 1.00 0.00 N ATOM 1418 CA ALA B 120 8.854 4.106 6.103 1.00 0.00 C ATOM 1419 C ALA B 120 9.150 3.607 4.693 1.00 0.00 C ATOM 1420 O ALA B 120 9.923 4.221 3.957 1.00 0.00 O ATOM 1421 CB ALA B 120 9.328 3.096 7.137 1.00 0.00 C ATOM 0 H ALA B 120 7.007 3.923 7.081 1.00 0.00 H new ATOM 0 HA ALA B 120 9.398 5.039 6.253 1.00 0.00 H new ATOM 0 HB1 ALA B 120 10.392 2.906 6.999 1.00 0.00 H new ATOM 0 HB2 ALA B 120 9.157 3.493 8.138 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.774 2.165 7.017 1.00 0.00 H new ATOM 1427 N MET B 121 8.518 2.500 4.314 1.00 0.00 N ATOM 1428 CA MET B 121 8.707 1.937 2.983 1.00 0.00 C ATOM 1429 C MET B 121 8.268 2.940 1.926 1.00 0.00 C ATOM 1430 O MET B 121 8.837 3.005 0.836 1.00 0.00 O ATOM 1431 CB MET B 121 7.912 0.635 2.833 1.00 0.00 C ATOM 1432 CG MET B 121 7.970 0.041 1.433 1.00 0.00 C ATOM 1433 SD MET B 121 6.424 -0.749 0.948 1.00 0.00 S ATOM 1434 CE MET B 121 5.269 0.597 1.188 1.00 0.00 C ATOM 0 H MET B 121 7.874 1.978 4.908 1.00 0.00 H new ATOM 0 HA MET B 121 9.766 1.716 2.846 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.293 -0.097 3.545 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.871 0.823 3.096 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.211 0.828 0.718 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.777 -0.690 1.386 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.399 0.449 0.548 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.952 0.623 2.231 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.751 1.540 0.932 1.00 0.00 H new ATOM 1444 N LEU B 122 7.252 3.726 2.263 1.00 0.00 N ATOM 1445 CA LEU B 122 6.730 4.734 1.353 1.00 0.00 C ATOM 1446 C LEU B 122 7.744 5.859 1.168 1.00 0.00 C ATOM 1447 O LEU B 122 7.888 6.405 0.075 1.00 0.00 O ATOM 1448 CB LEU B 122 5.405 5.291 1.883 1.00 0.00 C ATOM 1449 CG LEU B 122 4.192 4.372 1.706 1.00 0.00 C ATOM 1450 CD1 LEU B 122 4.275 3.178 2.646 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.903 5.144 1.945 1.00 0.00 C ATOM 0 H LEU B 122 6.773 3.683 3.163 1.00 0.00 H new ATOM 0 HA LEU B 122 6.549 4.269 0.384 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.521 5.512 2.944 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.200 6.237 1.381 1.00 0.00 H new ATOM 0 HG LEU B 122 4.193 4.001 0.681 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.403 2.540 2.502 1.00 0.00 H new ATOM 0 HD12 LEU B 122 5.180 2.609 2.433 1.00 0.00 H new ATOM 0 HD13 LEU B 122 4.302 3.528 3.678 1.00 0.00 H new ATOM 0 HD21 LEU B 122 2.050 4.477 1.816 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.901 5.543 2.959 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.833 5.965 1.232 1.00 0.00 H new ATOM 1463 N ARG B 123 8.454 6.193 2.243 1.00 0.00 N ATOM 1464 CA ARG B 123 9.466 7.243 2.196 1.00 0.00 C ATOM 1465 C ARG B 123 10.837 6.667 1.840 1.00 0.00 C ATOM 1466 O ARG B 123 11.857 7.342 1.983 1.00 0.00 O ATOM 1467 CB ARG B 123 9.540 7.966 3.541 1.00 0.00 C ATOM 1468 CG ARG B 123 10.450 9.185 3.526 1.00 0.00 C ATOM 1469 CD ARG B 123 11.710 8.954 4.346 1.00 0.00 C ATOM 1470 NE ARG B 123 11.486 9.186 5.771 1.00 0.00 N ATOM 1471 CZ ARG B 123 12.286 8.730 6.732 1.00 0.00 C ATOM 1472 NH1 ARG B 123 13.362 8.016 6.426 1.00 0.00 N ATOM 1473 NH2 ARG B 123 12.009 8.989 8.003 1.00 0.00 N ATOM 0 H ARG B 123 8.347 5.752 3.156 1.00 0.00 H new ATOM 0 HA ARG B 123 9.179 7.954 1.421 1.00 0.00 H new ATOM 0 HB2 ARG B 123 8.537 8.275 3.834 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.893 7.268 4.300 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.723 9.423 2.498 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.911 10.047 3.921 1.00 0.00 H new ATOM 0 HD2 ARG B 123 12.058 7.932 4.195 1.00 0.00 H new ATOM 0 HD3 ARG B 123 12.500 9.616 3.991 1.00 0.00 H new ATOM 0 HE ARG B 123 10.668 9.730 6.046 1.00 0.00 H new ATOM 0 HH11 ARG B 123 13.580 7.814 5.450 1.00 0.00 H new ATOM 0 HH12 ARG B 123 13.971 7.669 7.167 1.00 0.00 H new ATOM 0 HH21 ARG B 123 11.183 9.537 8.244 1.00 0.00 H new ATOM 0 HH22 ARG B 123 12.622 8.640 8.740 1.00 0.00 H new ATOM 1487 N ALA B 124 10.858 5.416 1.386 1.00 0.00 N ATOM 1488 CA ALA B 124 12.103 4.752 1.023 1.00 0.00 C ATOM 1489 C ALA B 124 12.536 5.106 -0.396 1.00 0.00 C ATOM 1490 O ALA B 124 13.471 5.882 -0.596 1.00 0.00 O ATOM 1491 CB ALA B 124 11.948 3.243 1.165 1.00 0.00 C ATOM 0 H ALA B 124 10.024 4.842 1.261 1.00 0.00 H new ATOM 0 HA ALA B 124 12.880 5.102 1.703 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.883 2.754 0.892 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.699 2.998 2.198 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.151 2.896 0.507 1.00 0.00 H new ATOM 1497 N LEU B 125 11.857 4.520 -1.375 1.00 0.00 N ATOM 1498 CA LEU B 125 12.174 4.755 -2.778 1.00 0.00 C ATOM 1499 C LEU B 125 11.745 6.152 -3.226 1.00 0.00 C ATOM 1500 O LEU B 125 12.143 6.615 -4.294 1.00 0.00 O ATOM 1501 CB LEU B 125 11.502 3.692 -3.644 1.00 0.00 C ATOM 1502 CG LEU B 125 11.751 2.255 -3.189 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.600 1.354 -3.600 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.066 1.740 -3.753 1.00 0.00 C ATOM 0 H LEU B 125 11.081 3.876 -1.222 1.00 0.00 H new ATOM 0 HA LEU B 125 13.256 4.690 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.428 3.876 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.854 3.801 -4.670 1.00 0.00 H new ATOM 0 HG LEU B 125 11.816 2.245 -2.101 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.798 0.335 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.677 1.712 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.498 1.367 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.228 0.715 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.030 1.766 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.884 2.370 -3.402 1.00 0.00 H new