USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= -0.202 K(o=-1,f=-1.7) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -0.843 F(o=-3,f=-1) USER MOD Set 2.1: A 63 THR OG1 : rot 180:sc= -0.138 USER MOD Set 2.2: A 64 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 8 LYS NZ :NH3+ 140:sc= -3.13! (180deg=-6.69!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.01 X(o=-0.01,f=0) USER MOD Single : A 14 GLN : amide:sc= -8.62! C(o=-8.6!,f=-15!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00566 X(o=-0.0057,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.645! USER MOD Single : A 24 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 25 ASN : amide:sc= -0.947! C(o=-0.95!,f=-1.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0537 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.5!) USER MOD Single : A 71 TYR OH : rot 138:sc= 1.27 USER MOD Single : A 75 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -2.977 -8.556 -10.531 1.00 0.00 N ATOM 27 CA ILE A 3 -2.203 -7.948 -9.462 1.00 0.00 C ATOM 28 C ILE A 3 -2.650 -6.497 -9.275 1.00 0.00 C ATOM 29 O ILE A 3 -3.185 -6.139 -8.227 1.00 0.00 O ATOM 30 CB ILE A 3 -0.705 -8.101 -9.732 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.119 -9.265 -8.932 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.037 -6.790 -9.463 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.512 -8.772 -7.628 1.00 0.00 C ATOM 0 HA ILE A 3 -2.387 -8.462 -8.518 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.571 -8.337 -10.788 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.903 -9.989 -8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.631 -9.781 -9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.100 -6.926 -9.663 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.357 -6.009 -10.113 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.102 -6.500 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.921 -9.620 -7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.311 -8.067 -7.855 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.246 -8.278 -7.021 1.00 0.00 H new ATOM 45 N GLU A 4 -2.414 -5.701 -10.308 1.00 0.00 N ATOM 46 CA GLU A 4 -2.786 -4.297 -10.271 1.00 0.00 C ATOM 47 C GLU A 4 -4.197 -4.136 -9.701 1.00 0.00 C ATOM 48 O GLU A 4 -4.395 -3.432 -8.713 1.00 0.00 O ATOM 49 CB GLU A 4 -2.680 -3.665 -11.660 1.00 0.00 C ATOM 50 CG GLU A 4 -3.441 -2.339 -11.718 1.00 0.00 C ATOM 51 CD GLU A 4 -4.687 -2.461 -12.597 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.676 -2.016 -13.754 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.694 -3.043 -12.038 1.00 0.00 O ATOM 0 H GLU A 4 -1.970 -6.002 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.089 -3.774 -9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.632 -3.498 -11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.080 -4.351 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.730 -2.037 -10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.789 -1.558 -12.111 1.00 0.00 H new ATOM 61 N GLU A 5 -5.142 -4.801 -10.350 1.00 0.00 N ATOM 62 CA GLU A 5 -6.529 -4.741 -9.921 1.00 0.00 C ATOM 63 C GLU A 5 -6.610 -4.703 -8.394 1.00 0.00 C ATOM 64 O GLU A 5 -7.298 -3.855 -7.827 1.00 0.00 O ATOM 65 CB GLU A 5 -7.328 -5.918 -10.484 1.00 0.00 C ATOM 66 CG GLU A 5 -8.575 -6.187 -9.639 1.00 0.00 C ATOM 67 CD GLU A 5 -9.745 -6.638 -10.516 1.00 0.00 C ATOM 68 OE1 GLU A 5 -10.482 -7.562 -10.140 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.876 -5.992 -11.625 1.00 0.00 O ATOM 0 H GLU A 5 -4.974 -5.384 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.971 -3.825 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.620 -5.705 -11.512 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.701 -6.809 -10.508 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.356 -6.954 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.851 -5.284 -9.094 1.00 0.00 H new ATOM 77 N ARG A 6 -5.899 -5.631 -7.771 1.00 0.00 N ATOM 78 CA ARG A 6 -5.883 -5.714 -6.321 1.00 0.00 C ATOM 79 C ARG A 6 -5.118 -4.528 -5.730 1.00 0.00 C ATOM 80 O ARG A 6 -5.549 -3.937 -4.742 1.00 0.00 O ATOM 81 CB ARG A 6 -5.232 -7.017 -5.851 1.00 0.00 C ATOM 82 CG ARG A 6 -6.174 -8.205 -6.056 1.00 0.00 C ATOM 83 CD ARG A 6 -5.449 -9.529 -5.804 1.00 0.00 C ATOM 84 NE ARG A 6 -4.601 -9.871 -6.968 1.00 0.00 N ATOM 85 CZ ARG A 6 -3.981 -11.059 -7.128 1.00 0.00 C ATOM 86 NH1 ARG A 6 -4.108 -12.030 -6.199 1.00 0.00 N ATOM 87 NH2 ARG A 6 -3.247 -11.258 -8.208 1.00 0.00 N ATOM 0 H ARG A 6 -5.329 -6.332 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.917 -5.692 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.306 -7.184 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.967 -6.936 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.026 -8.119 -5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.569 -8.190 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.835 -9.452 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.175 -10.323 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 6 -4.478 -9.165 -7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.676 -11.869 -5.367 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.636 -12.925 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.155 -10.520 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.772 -12.150 -8.344 1.00 0.00 H new ATOM 100 N VAL A 7 -3.995 -4.215 -6.361 1.00 0.00 N ATOM 101 CA VAL A 7 -3.166 -3.111 -5.910 1.00 0.00 C ATOM 102 C VAL A 7 -4.031 -1.858 -5.759 1.00 0.00 C ATOM 103 O VAL A 7 -3.946 -1.158 -4.751 1.00 0.00 O ATOM 104 CB VAL A 7 -1.990 -2.913 -6.869 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.130 -1.721 -6.444 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.149 -4.187 -6.974 1.00 0.00 C ATOM 0 H VAL A 7 -3.640 -4.707 -7.181 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.737 -3.330 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.396 -2.697 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.302 -1.603 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.737 -0.816 -6.445 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.738 -1.894 -5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.320 -4.020 -7.661 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.758 -4.447 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.769 -5.003 -7.345 1.00 0.00 H new ATOM 116 N LYS A 8 -4.845 -1.613 -6.776 1.00 0.00 N ATOM 117 CA LYS A 8 -5.725 -0.457 -6.769 1.00 0.00 C ATOM 118 C LYS A 8 -6.702 -0.572 -5.598 1.00 0.00 C ATOM 119 O LYS A 8 -6.927 0.397 -4.875 1.00 0.00 O ATOM 120 CB LYS A 8 -6.409 -0.297 -8.128 1.00 0.00 C ATOM 121 CG LYS A 8 -5.393 -0.391 -9.269 1.00 0.00 C ATOM 122 CD LYS A 8 -4.315 0.687 -9.133 1.00 0.00 C ATOM 123 CE LYS A 8 -4.880 2.071 -9.457 1.00 0.00 C ATOM 124 NZ LYS A 8 -5.466 2.689 -8.247 1.00 0.00 N ATOM 0 H LYS A 8 -4.913 -2.196 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.152 0.458 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.169 -1.068 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.921 0.664 -8.170 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.929 -1.377 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.904 -0.281 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.916 0.681 -8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.485 0.463 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.090 2.709 -9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.640 1.987 -10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.231 3.702 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.499 2.574 -8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.080 2.226 -7.399 1.00 0.00 H new ATOM 137 N LYS A 9 -7.258 -1.766 -5.448 1.00 0.00 N ATOM 138 CA LYS A 9 -8.206 -2.020 -4.377 1.00 0.00 C ATOM 139 C LYS A 9 -7.603 -1.562 -3.048 1.00 0.00 C ATOM 140 O LYS A 9 -8.115 -0.641 -2.414 1.00 0.00 O ATOM 141 CB LYS A 9 -8.639 -3.488 -4.383 1.00 0.00 C ATOM 142 CG LYS A 9 -10.152 -3.614 -4.190 1.00 0.00 C ATOM 143 CD LYS A 9 -10.513 -3.658 -2.704 1.00 0.00 C ATOM 144 CE LYS A 9 -12.030 -3.630 -2.507 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.366 -3.592 -1.066 1.00 0.00 N ATOM 0 H LYS A 9 -7.070 -2.567 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.117 -1.442 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.349 -3.953 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.121 -4.027 -3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.654 -2.771 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.511 -4.518 -4.682 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.101 -4.560 -2.253 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.060 -2.810 -2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.451 -2.758 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.479 -4.510 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.399 -3.573 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.981 -4.437 -0.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.954 -2.739 -0.636 1.00 0.00 H new ATOM 158 N ILE A 10 -6.522 -2.226 -2.665 1.00 0.00 N ATOM 159 CA ILE A 10 -5.843 -1.899 -1.423 1.00 0.00 C ATOM 160 C ILE A 10 -5.656 -0.383 -1.333 1.00 0.00 C ATOM 161 O ILE A 10 -6.098 0.245 -0.372 1.00 0.00 O ATOM 162 CB ILE A 10 -4.538 -2.688 -1.301 1.00 0.00 C ATOM 163 CG1 ILE A 10 -4.803 -4.194 -1.330 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.757 -2.267 -0.054 1.00 0.00 C ATOM 165 CD1 ILE A 10 -4.970 -4.749 0.086 1.00 0.00 C ATOM 0 H ILE A 10 -6.100 -2.989 -3.194 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.449 -2.197 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.916 -2.454 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.702 -4.398 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.978 -4.702 -1.829 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.834 -2.843 0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.519 -1.205 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.362 -2.453 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.157 -5.822 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.061 -4.565 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.811 -4.256 0.573 1.00 0.00 H new ATOM 177 N ILE A 11 -5.001 0.161 -2.348 1.00 0.00 N ATOM 178 CA ILE A 11 -4.750 1.592 -2.396 1.00 0.00 C ATOM 179 C ILE A 11 -6.065 2.343 -2.178 1.00 0.00 C ATOM 180 O ILE A 11 -6.117 3.300 -1.407 1.00 0.00 O ATOM 181 CB ILE A 11 -4.035 1.967 -3.695 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.524 1.755 -3.571 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.379 3.396 -4.118 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.007 0.834 -4.678 1.00 0.00 C ATOM 0 H ILE A 11 -4.636 -0.363 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.076 1.888 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.390 1.303 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.013 2.716 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.292 1.324 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.857 3.637 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.454 3.480 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.071 4.091 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.931 0.700 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.503 -0.134 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.219 1.279 -5.650 1.00 0.00 H new ATOM 196 N GLY A 12 -7.095 1.882 -2.872 1.00 0.00 N ATOM 197 CA GLY A 12 -8.406 2.499 -2.765 1.00 0.00 C ATOM 198 C GLY A 12 -8.840 2.613 -1.302 1.00 0.00 C ATOM 199 O GLY A 12 -9.627 3.491 -0.951 1.00 0.00 O ATOM 0 H GLY A 12 -7.048 1.088 -3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.384 3.489 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.136 1.909 -3.320 1.00 0.00 H new ATOM 203 N GLN A 13 -8.308 1.713 -0.488 1.00 0.00 N ATOM 204 CA GLN A 13 -8.630 1.702 0.929 1.00 0.00 C ATOM 205 C GLN A 13 -7.667 2.606 1.700 1.00 0.00 C ATOM 206 O GLN A 13 -8.092 3.404 2.534 1.00 0.00 O ATOM 207 CB GLN A 13 -8.608 0.276 1.485 1.00 0.00 C ATOM 208 CG GLN A 13 -9.816 0.021 2.388 1.00 0.00 C ATOM 209 CD GLN A 13 -9.373 -0.460 3.772 1.00 0.00 C ATOM 210 OE1 GLN A 13 -8.786 -1.517 3.932 1.00 0.00 O ATOM 211 NE2 GLN A 13 -9.687 0.373 4.760 1.00 0.00 N ATOM 0 H GLN A 13 -7.656 0.986 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.641 2.091 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.607 -0.439 0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.688 0.115 2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.401 0.936 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.466 -0.725 1.930 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.180 1.243 4.557 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.435 0.142 5.721 1.00 0.00 H new ATOM 220 N GLN A 14 -6.387 2.451 1.393 1.00 0.00 N ATOM 221 CA GLN A 14 -5.360 3.244 2.047 1.00 0.00 C ATOM 222 C GLN A 14 -5.814 4.700 2.175 1.00 0.00 C ATOM 223 O GLN A 14 -5.414 5.399 3.105 1.00 0.00 O ATOM 224 CB GLN A 14 -4.031 3.149 1.294 1.00 0.00 C ATOM 225 CG GLN A 14 -3.607 1.690 1.113 1.00 0.00 C ATOM 226 CD GLN A 14 -2.138 1.594 0.698 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.385 0.759 1.172 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.772 2.493 -0.212 1.00 0.00 N ATOM 0 H GLN A 14 -6.038 1.788 0.700 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.202 2.843 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.126 3.627 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.259 3.691 1.841 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.762 1.144 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.234 1.216 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.452 3.165 -0.568 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.811 2.511 -0.554 1.00 0.00 H new ATOM 237 N LEU A 15 -6.643 5.113 1.228 1.00 0.00 N ATOM 238 CA LEU A 15 -7.155 6.473 1.223 1.00 0.00 C ATOM 239 C LEU A 15 -8.684 6.437 1.274 1.00 0.00 C ATOM 240 O LEU A 15 -9.291 6.969 2.202 1.00 0.00 O ATOM 241 CB LEU A 15 -6.598 7.252 0.030 1.00 0.00 C ATOM 242 CG LEU A 15 -6.087 6.410 -1.141 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.276 7.145 -2.469 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.632 5.991 -0.920 1.00 0.00 C ATOM 0 H LEU A 15 -6.973 4.530 0.459 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.818 7.010 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.378 7.918 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.781 7.882 0.382 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.682 5.498 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.905 6.524 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.335 7.351 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.723 8.084 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.293 5.394 -1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.007 6.880 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.558 5.401 -0.007 1.00 0.00 H new ATOM 256 N GLY A 16 -9.263 5.804 0.264 1.00 0.00 N ATOM 257 CA GLY A 16 -10.710 5.691 0.182 1.00 0.00 C ATOM 258 C GLY A 16 -11.214 6.105 -1.202 1.00 0.00 C ATOM 259 O GLY A 16 -11.746 7.201 -1.371 1.00 0.00 O ATOM 0 H GLY A 16 -8.757 5.364 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.011 4.664 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.171 6.319 0.944 1.00 0.00 H new ATOM 263 N VAL A 17 -11.029 5.205 -2.157 1.00 0.00 N ATOM 264 CA VAL A 17 -11.458 5.462 -3.521 1.00 0.00 C ATOM 265 C VAL A 17 -11.594 4.134 -4.267 1.00 0.00 C ATOM 266 O VAL A 17 -11.351 3.070 -3.699 1.00 0.00 O ATOM 267 CB VAL A 17 -10.490 6.433 -4.200 1.00 0.00 C ATOM 268 CG1 VAL A 17 -11.078 7.845 -4.255 1.00 0.00 C ATOM 269 CG2 VAL A 17 -9.131 6.432 -3.499 1.00 0.00 C ATOM 0 H VAL A 17 -10.588 4.297 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.437 5.941 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.338 6.093 -5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.370 8.515 -4.742 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.010 7.829 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.273 8.198 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.462 7.130 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.258 6.735 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.703 5.430 -3.536 1.00 0.00 H new ATOM 279 N LYS A 18 -11.983 4.238 -5.530 1.00 0.00 N ATOM 280 CA LYS A 18 -12.155 3.058 -6.360 1.00 0.00 C ATOM 281 C LYS A 18 -10.882 2.824 -7.176 1.00 0.00 C ATOM 282 O LYS A 18 -9.779 3.099 -6.705 1.00 0.00 O ATOM 283 CB LYS A 18 -13.418 3.182 -7.214 1.00 0.00 C ATOM 284 CG LYS A 18 -14.137 1.837 -7.328 1.00 0.00 C ATOM 285 CD LYS A 18 -15.301 1.919 -8.319 1.00 0.00 C ATOM 286 CE LYS A 18 -15.525 0.574 -9.013 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.418 0.738 -10.182 1.00 0.00 N ATOM 0 H LYS A 18 -12.184 5.122 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.304 2.175 -5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.088 3.920 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.155 3.543 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.433 1.070 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.509 1.535 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.209 2.218 -7.795 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.095 2.687 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.569 0.159 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.962 -0.136 -8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.560 -0.184 -10.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.336 1.113 -9.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.986 1.400 -10.858 1.00 0.00 H new ATOM 300 N GLN A 19 -11.076 2.320 -8.386 1.00 0.00 N ATOM 301 CA GLN A 19 -9.958 2.046 -9.271 1.00 0.00 C ATOM 302 C GLN A 19 -9.840 3.143 -10.332 1.00 0.00 C ATOM 303 O GLN A 19 -8.750 3.656 -10.580 1.00 0.00 O ATOM 304 CB GLN A 19 -10.097 0.668 -9.921 1.00 0.00 C ATOM 305 CG GLN A 19 -8.791 0.246 -10.597 1.00 0.00 C ATOM 306 CD GLN A 19 -8.943 -1.113 -11.284 1.00 0.00 C ATOM 307 OE1 GLN A 19 -8.942 -1.226 -12.499 1.00 0.00 O ATOM 308 NE2 GLN A 19 -9.074 -2.133 -10.442 1.00 0.00 N ATOM 0 H GLN A 19 -11.992 2.094 -8.774 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.044 2.041 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.374 -0.068 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.901 0.688 -10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.498 0.997 -11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.993 0.196 -9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.066 -1.968 -9.436 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.182 -3.081 -10.802 1.00 0.00 H new ATOM 317 N GLU A 20 -10.977 3.470 -10.928 1.00 0.00 N ATOM 318 CA GLU A 20 -11.015 4.496 -11.956 1.00 0.00 C ATOM 319 C GLU A 20 -10.926 5.886 -11.322 1.00 0.00 C ATOM 320 O GLU A 20 -10.673 6.872 -12.012 1.00 0.00 O ATOM 321 CB GLU A 20 -12.273 4.365 -12.816 1.00 0.00 C ATOM 322 CG GLU A 20 -13.534 4.598 -11.981 1.00 0.00 C ATOM 323 CD GLU A 20 -14.772 4.698 -12.874 1.00 0.00 C ATOM 324 OE1 GLU A 20 -14.851 4.011 -13.904 1.00 0.00 O ATOM 325 OE2 GLU A 20 -15.675 5.524 -12.465 1.00 0.00 O ATOM 0 H GLU A 20 -11.879 3.042 -10.719 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.153 4.360 -12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.236 5.085 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.309 3.373 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.659 3.782 -11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.426 5.514 -11.400 1.00 0.00 H new ATOM 333 N GLU A 21 -11.140 5.920 -10.014 1.00 0.00 N ATOM 334 CA GLU A 21 -11.087 7.172 -9.279 1.00 0.00 C ATOM 335 C GLU A 21 -9.634 7.574 -9.019 1.00 0.00 C ATOM 336 O GLU A 21 -9.358 8.719 -8.663 1.00 0.00 O ATOM 337 CB GLU A 21 -11.872 7.073 -7.970 1.00 0.00 C ATOM 338 CG GLU A 21 -13.258 7.705 -8.112 1.00 0.00 C ATOM 339 CD GLU A 21 -14.359 6.690 -7.796 1.00 0.00 C ATOM 340 OE1 GLU A 21 -14.724 6.516 -6.624 1.00 0.00 O ATOM 341 OE2 GLU A 21 -14.840 6.071 -8.821 1.00 0.00 O ATOM 0 H GLU A 21 -11.350 5.100 -9.445 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.554 7.947 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.973 6.027 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.321 7.572 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.342 8.559 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.387 8.083 -9.126 1.00 0.00 H new ATOM 349 N VAL A 22 -8.745 6.611 -9.206 1.00 0.00 N ATOM 350 CA VAL A 22 -7.327 6.850 -8.996 1.00 0.00 C ATOM 351 C VAL A 22 -6.551 6.422 -10.244 1.00 0.00 C ATOM 352 O VAL A 22 -5.423 5.943 -10.144 1.00 0.00 O ATOM 353 CB VAL A 22 -6.858 6.135 -7.727 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.437 6.560 -7.351 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.828 6.382 -6.569 1.00 0.00 C ATOM 0 H VAL A 22 -8.979 5.663 -9.501 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.138 7.913 -8.844 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.844 5.064 -7.931 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.128 6.037 -6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.755 6.311 -8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.414 7.635 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.472 5.863 -5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.888 7.451 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.816 6.008 -6.836 1.00 0.00 H new ATOM 365 N THR A 23 -7.187 6.611 -11.390 1.00 0.00 N ATOM 366 CA THR A 23 -6.571 6.251 -12.656 1.00 0.00 C ATOM 367 C THR A 23 -5.582 5.101 -12.459 1.00 0.00 C ATOM 368 O THR A 23 -5.845 4.175 -11.694 1.00 0.00 O ATOM 369 CB THR A 23 -5.930 7.510 -13.245 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.686 7.619 -12.559 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.682 8.785 -12.859 1.00 0.00 C ATOM 0 H THR A 23 -8.123 7.009 -11.469 1.00 0.00 H new ATOM 0 HA THR A 23 -7.312 5.883 -13.366 1.00 0.00 H new ATOM 0 HB THR A 23 -5.894 7.425 -14.331 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.203 8.409 -12.881 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.186 9.648 -13.302 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.707 8.728 -13.225 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.690 8.889 -11.774 1.00 0.00 H new ATOM 379 N ASN A 24 -4.464 5.197 -13.164 1.00 0.00 N ATOM 380 CA ASN A 24 -3.434 4.176 -13.077 1.00 0.00 C ATOM 381 C ASN A 24 -2.057 4.840 -13.135 1.00 0.00 C ATOM 382 O ASN A 24 -1.122 4.289 -13.714 1.00 0.00 O ATOM 383 CB ASN A 24 -3.534 3.192 -14.244 1.00 0.00 C ATOM 384 CG ASN A 24 -4.877 2.459 -14.231 1.00 0.00 C ATOM 385 OD1 ASN A 24 -5.838 2.859 -14.868 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.891 1.367 -13.471 1.00 0.00 N ATOM 0 H ASN A 24 -4.249 5.966 -13.798 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.571 3.638 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.417 3.727 -15.186 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.721 2.469 -14.185 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.741 0.809 -13.396 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.051 1.088 -12.964 1.00 0.00 H new ATOM 393 N ASN A 25 -1.976 6.014 -12.527 1.00 0.00 N ATOM 394 CA ASN A 25 -0.729 6.760 -12.502 1.00 0.00 C ATOM 395 C ASN A 25 -0.910 8.021 -11.655 1.00 0.00 C ATOM 396 O ASN A 25 -0.337 9.065 -11.960 1.00 0.00 O ATOM 397 CB ASN A 25 -0.317 7.191 -13.911 1.00 0.00 C ATOM 398 CG ASN A 25 1.052 7.873 -13.897 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.188 9.056 -14.162 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.057 7.063 -13.575 1.00 0.00 N ATOM 0 H ASN A 25 -2.754 6.467 -12.048 1.00 0.00 H new ATOM 0 HA ASN A 25 0.042 6.114 -12.083 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.287 6.321 -14.567 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.063 7.873 -14.319 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.011 7.423 -13.539 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.874 6.082 -13.364 1.00 0.00 H new ATOM 407 N ALA A 26 -1.710 7.881 -10.608 1.00 0.00 N ATOM 408 CA ALA A 26 -1.973 8.997 -9.714 1.00 0.00 C ATOM 409 C ALA A 26 -0.764 9.210 -8.801 1.00 0.00 C ATOM 410 O ALA A 26 -0.129 8.249 -8.372 1.00 0.00 O ATOM 411 CB ALA A 26 -3.258 8.728 -8.927 1.00 0.00 C ATOM 0 H ALA A 26 -2.184 7.013 -10.359 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.123 9.916 -10.281 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.456 9.564 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.092 8.613 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.143 7.815 -8.344 1.00 0.00 H new ATOM 417 N SER A 27 -0.483 10.477 -8.532 1.00 0.00 N ATOM 418 CA SER A 27 0.639 10.829 -7.678 1.00 0.00 C ATOM 419 C SER A 27 0.290 10.549 -6.215 1.00 0.00 C ATOM 420 O SER A 27 -0.727 9.922 -5.924 1.00 0.00 O ATOM 421 CB SER A 27 1.030 12.297 -7.860 1.00 0.00 C ATOM 422 OG SER A 27 2.290 12.437 -8.509 1.00 0.00 O ATOM 0 H SER A 27 -1.013 11.272 -8.890 1.00 0.00 H new ATOM 0 HA SER A 27 1.493 10.216 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.263 12.807 -8.443 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.067 12.786 -6.886 1.00 0.00 H new ATOM 0 HG SER A 27 2.503 13.388 -8.608 1.00 0.00 H new ATOM 428 N PHE A 28 1.155 11.028 -5.332 1.00 0.00 N ATOM 429 CA PHE A 28 0.951 10.838 -3.906 1.00 0.00 C ATOM 430 C PHE A 28 1.180 12.142 -3.140 1.00 0.00 C ATOM 431 O PHE A 28 0.279 12.637 -2.465 1.00 0.00 O ATOM 432 CB PHE A 28 1.976 9.801 -3.442 1.00 0.00 C ATOM 433 CG PHE A 28 1.357 8.494 -2.942 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.445 7.837 -3.708 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.717 7.991 -1.731 1.00 0.00 C ATOM 436 CE1 PHE A 28 -0.129 6.624 -3.243 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.143 6.778 -1.267 1.00 0.00 C ATOM 438 CZ PHE A 28 0.231 6.120 -2.033 1.00 0.00 C ATOM 0 H PHE A 28 1.998 11.547 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.072 10.512 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.652 9.578 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.580 10.234 -2.644 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.158 8.237 -4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.440 8.514 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.852 6.101 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.430 6.378 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.207 5.198 -1.680 1.00 0.00 H new ATOM 448 N VAL A 29 2.392 12.663 -3.271 1.00 0.00 N ATOM 449 CA VAL A 29 2.751 13.900 -2.600 1.00 0.00 C ATOM 450 C VAL A 29 1.871 15.035 -3.126 1.00 0.00 C ATOM 451 O VAL A 29 1.750 16.080 -2.488 1.00 0.00 O ATOM 452 CB VAL A 29 4.247 14.174 -2.774 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.653 15.466 -2.061 1.00 0.00 C ATOM 454 CG2 VAL A 29 5.082 12.990 -2.282 1.00 0.00 C ATOM 0 H VAL A 29 3.137 12.250 -3.832 1.00 0.00 H new ATOM 0 HA VAL A 29 2.571 13.819 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 29 4.443 14.302 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.720 15.638 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.093 16.303 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.435 15.378 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.141 13.211 -2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.879 12.816 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.821 12.099 -2.853 1.00 0.00 H new ATOM 464 N GLU A 30 1.277 14.792 -4.286 1.00 0.00 N ATOM 465 CA GLU A 30 0.411 15.781 -4.905 1.00 0.00 C ATOM 466 C GLU A 30 -1.045 15.314 -4.859 1.00 0.00 C ATOM 467 O GLU A 30 -1.920 16.043 -4.395 1.00 0.00 O ATOM 468 CB GLU A 30 0.849 16.070 -6.342 1.00 0.00 C ATOM 469 CG GLU A 30 1.642 17.377 -6.421 1.00 0.00 C ATOM 470 CD GLU A 30 1.463 18.044 -7.787 1.00 0.00 C ATOM 471 OE1 GLU A 30 0.357 18.023 -8.347 1.00 0.00 O ATOM 472 OE2 GLU A 30 2.524 18.601 -8.264 1.00 0.00 O ATOM 0 H GLU A 30 1.379 13.925 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 30 0.492 16.710 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.460 15.247 -6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.027 16.132 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.311 18.056 -5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.699 17.177 -6.246 1.00 0.00 H new ATOM 480 N ASP A 31 -1.260 14.101 -5.348 1.00 0.00 N ATOM 481 CA ASP A 31 -2.595 13.528 -5.368 1.00 0.00 C ATOM 482 C ASP A 31 -3.093 13.355 -3.932 1.00 0.00 C ATOM 483 O ASP A 31 -4.048 14.011 -3.519 1.00 0.00 O ATOM 484 CB ASP A 31 -2.594 12.153 -6.038 1.00 0.00 C ATOM 485 CG ASP A 31 -3.967 11.655 -6.495 1.00 0.00 C ATOM 486 OD1 ASP A 31 -4.201 10.443 -6.610 1.00 0.00 O ATOM 487 OD2 ASP A 31 -4.829 12.582 -6.741 1.00 0.00 O ATOM 0 H ASP A 31 -0.532 13.499 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.243 14.202 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.931 12.187 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.174 11.427 -5.342 1.00 0.00 H new ATOM 493 N LEU A 32 -2.424 12.467 -3.211 1.00 0.00 N ATOM 494 CA LEU A 32 -2.786 12.199 -1.829 1.00 0.00 C ATOM 495 C LEU A 32 -2.005 13.140 -0.910 1.00 0.00 C ATOM 496 O LEU A 32 -1.886 12.886 0.288 1.00 0.00 O ATOM 497 CB LEU A 32 -2.591 10.717 -1.502 1.00 0.00 C ATOM 498 CG LEU A 32 -3.410 9.732 -2.338 1.00 0.00 C ATOM 499 CD1 LEU A 32 -2.638 8.431 -2.565 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.780 9.483 -1.704 1.00 0.00 C ATOM 0 H LEU A 32 -1.633 11.924 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.845 12.401 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.535 10.475 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.836 10.562 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.584 10.177 -3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.243 7.748 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.708 8.647 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.412 7.969 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.342 8.779 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.648 9.068 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.326 10.424 -1.637 1.00 0.00 H new ATOM 512 N GLY A 33 -1.493 14.207 -1.505 1.00 0.00 N ATOM 513 CA GLY A 33 -0.727 15.187 -0.754 1.00 0.00 C ATOM 514 C GLY A 33 0.198 14.504 0.255 1.00 0.00 C ATOM 515 O GLY A 33 0.558 15.095 1.272 1.00 0.00 O ATOM 0 H GLY A 33 -1.594 14.415 -2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.137 15.796 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.406 15.862 -0.232 1.00 0.00 H new ATOM 519 N ALA A 34 0.557 13.269 -0.062 1.00 0.00 N ATOM 520 CA ALA A 34 1.434 12.499 0.804 1.00 0.00 C ATOM 521 C ALA A 34 0.862 12.489 2.223 1.00 0.00 C ATOM 522 O ALA A 34 0.994 13.469 2.956 1.00 0.00 O ATOM 523 CB ALA A 34 2.847 13.082 0.749 1.00 0.00 C ATOM 0 H ALA A 34 0.257 12.782 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 34 1.495 11.465 0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.505 12.504 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.219 13.039 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.826 14.119 1.084 1.00 0.00 H new ATOM 529 N ASP A 35 0.239 11.372 2.568 1.00 0.00 N ATOM 530 CA ASP A 35 -0.354 11.223 3.886 1.00 0.00 C ATOM 531 C ASP A 35 0.340 10.076 4.625 1.00 0.00 C ATOM 532 O ASP A 35 0.582 9.018 4.048 1.00 0.00 O ATOM 533 CB ASP A 35 -1.843 10.888 3.786 1.00 0.00 C ATOM 534 CG ASP A 35 -2.698 11.947 3.087 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.497 13.156 3.275 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.618 11.481 2.312 1.00 0.00 O ATOM 0 H ASP A 35 0.132 10.562 1.958 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.232 12.166 4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.953 9.944 3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.234 10.733 4.792 1.00 0.00 H new ATOM 542 N SER A 36 0.639 10.326 5.892 1.00 0.00 N ATOM 543 CA SER A 36 1.299 9.328 6.716 1.00 0.00 C ATOM 544 C SER A 36 0.583 7.983 6.583 1.00 0.00 C ATOM 545 O SER A 36 1.225 6.949 6.404 1.00 0.00 O ATOM 546 CB SER A 36 1.342 9.764 8.181 1.00 0.00 C ATOM 547 OG SER A 36 2.572 10.401 8.513 1.00 0.00 O ATOM 0 H SER A 36 0.436 11.205 6.367 1.00 0.00 H new ATOM 0 HA SER A 36 2.326 9.222 6.367 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.515 10.446 8.381 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.200 8.894 8.822 1.00 0.00 H new ATOM 0 HG SER A 36 2.559 10.666 9.456 1.00 0.00 H new ATOM 553 N LEU A 37 -0.738 8.040 6.675 1.00 0.00 N ATOM 554 CA LEU A 37 -1.548 6.838 6.568 1.00 0.00 C ATOM 555 C LEU A 37 -1.269 6.159 5.226 1.00 0.00 C ATOM 556 O LEU A 37 -1.313 4.934 5.125 1.00 0.00 O ATOM 557 CB LEU A 37 -3.025 7.166 6.797 1.00 0.00 C ATOM 558 CG LEU A 37 -3.357 7.887 8.104 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.761 8.493 8.055 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.177 6.956 9.305 1.00 0.00 C ATOM 0 H LEU A 37 -1.267 8.899 6.822 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.279 6.126 7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.373 7.781 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.593 6.236 6.764 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.654 8.711 8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.972 9.000 8.997 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.819 9.210 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.494 7.702 7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.420 7.494 10.222 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.840 6.097 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.143 6.613 9.348 1.00 0.00 H new ATOM 572 N ASP A 38 -0.989 6.984 4.228 1.00 0.00 N ATOM 573 CA ASP A 38 -0.704 6.479 2.896 1.00 0.00 C ATOM 574 C ASP A 38 0.654 5.773 2.903 1.00 0.00 C ATOM 575 O ASP A 38 0.757 4.614 2.503 1.00 0.00 O ATOM 576 CB ASP A 38 -0.639 7.618 1.876 1.00 0.00 C ATOM 577 CG ASP A 38 -1.665 7.532 0.745 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.657 8.276 0.724 1.00 0.00 O ATOM 579 OD2 ASP A 38 -1.411 6.643 -0.155 1.00 0.00 O ATOM 0 H ASP A 38 -0.953 8.000 4.315 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.503 5.792 2.618 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.777 8.564 2.400 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.360 7.638 1.440 1.00 0.00 H new ATOM 585 N THR A 39 1.661 6.501 3.362 1.00 0.00 N ATOM 586 CA THR A 39 3.008 5.960 3.427 1.00 0.00 C ATOM 587 C THR A 39 3.058 4.767 4.384 1.00 0.00 C ATOM 588 O THR A 39 3.864 3.856 4.205 1.00 0.00 O ATOM 589 CB THR A 39 3.955 7.094 3.819 1.00 0.00 C ATOM 590 OG1 THR A 39 3.965 7.950 2.680 1.00 0.00 O ATOM 591 CG2 THR A 39 5.407 6.628 3.947 1.00 0.00 C ATOM 0 H THR A 39 1.571 7.462 3.693 1.00 0.00 H new ATOM 0 HA THR A 39 3.326 5.573 2.459 1.00 0.00 H new ATOM 0 HB THR A 39 3.628 7.527 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.555 8.714 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.037 7.472 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.475 5.855 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.745 6.224 2.993 1.00 0.00 H new ATOM 599 N VAL A 40 2.185 4.813 5.380 1.00 0.00 N ATOM 600 CA VAL A 40 2.120 3.747 6.367 1.00 0.00 C ATOM 601 C VAL A 40 1.300 2.585 5.802 1.00 0.00 C ATOM 602 O VAL A 40 1.672 1.424 5.962 1.00 0.00 O ATOM 603 CB VAL A 40 1.561 4.288 7.685 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.135 3.146 8.609 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.575 5.203 8.375 1.00 0.00 C ATOM 0 H VAL A 40 1.517 5.570 5.525 1.00 0.00 H new ATOM 0 HA VAL A 40 3.118 3.366 6.585 1.00 0.00 H new ATOM 0 HB VAL A 40 0.676 4.881 7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.741 3.558 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.364 2.551 8.120 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.996 2.514 8.828 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.153 5.574 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.486 4.643 8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.809 6.044 7.723 1.00 0.00 H new ATOM 615 N GLU A 41 0.201 2.939 5.153 1.00 0.00 N ATOM 616 CA GLU A 41 -0.674 1.940 4.563 1.00 0.00 C ATOM 617 C GLU A 41 0.078 1.135 3.502 1.00 0.00 C ATOM 618 O GLU A 41 -0.313 0.016 3.173 1.00 0.00 O ATOM 619 CB GLU A 41 -1.928 2.589 3.973 1.00 0.00 C ATOM 620 CG GLU A 41 -2.977 2.841 5.058 1.00 0.00 C ATOM 621 CD GLU A 41 -4.141 1.855 4.934 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.002 0.811 4.280 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.220 2.205 5.549 1.00 0.00 O ATOM 0 H GLU A 41 -0.104 3.904 5.023 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.994 1.257 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.663 3.531 3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.346 1.944 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.518 2.746 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.350 3.862 4.978 1.00 0.00 H new ATOM 631 N LEU A 42 1.145 1.736 2.995 1.00 0.00 N ATOM 632 CA LEU A 42 1.955 1.089 1.978 1.00 0.00 C ATOM 633 C LEU A 42 2.806 -0.004 2.628 1.00 0.00 C ATOM 634 O LEU A 42 3.095 -1.024 2.005 1.00 0.00 O ATOM 635 CB LEU A 42 2.772 2.126 1.204 1.00 0.00 C ATOM 636 CG LEU A 42 2.751 1.995 -0.320 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.892 3.092 -0.953 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.171 1.980 -0.889 1.00 0.00 C ATOM 0 H LEU A 42 1.467 2.664 3.270 1.00 0.00 H new ATOM 0 HA LEU A 42 1.320 0.601 1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.407 3.118 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.807 2.068 1.540 1.00 0.00 H new ATOM 0 HG LEU A 42 2.292 1.039 -0.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.894 2.976 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.870 3.014 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.299 4.069 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.127 1.886 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.678 2.908 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.721 1.135 -0.474 1.00 0.00 H new ATOM 650 N VAL A 43 3.183 0.247 3.873 1.00 0.00 N ATOM 651 CA VAL A 43 3.995 -0.703 4.615 1.00 0.00 C ATOM 652 C VAL A 43 3.109 -1.847 5.110 1.00 0.00 C ATOM 653 O VAL A 43 3.586 -2.961 5.319 1.00 0.00 O ATOM 654 CB VAL A 43 4.735 0.013 5.747 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.954 -0.792 6.200 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.138 1.429 5.329 1.00 0.00 C ATOM 0 H VAL A 43 2.941 1.094 4.387 1.00 0.00 H new ATOM 0 HA VAL A 43 4.758 -1.139 3.970 1.00 0.00 H new ATOM 0 HB VAL A 43 4.054 0.095 6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.462 -0.261 7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.632 -1.770 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.638 -0.919 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.662 1.916 6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.794 1.379 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.246 2.002 5.078 1.00 0.00 H new ATOM 666 N MET A 44 1.833 -1.533 5.284 1.00 0.00 N ATOM 667 CA MET A 44 0.876 -2.521 5.751 1.00 0.00 C ATOM 668 C MET A 44 0.200 -3.229 4.574 1.00 0.00 C ATOM 669 O MET A 44 0.018 -4.445 4.598 1.00 0.00 O ATOM 670 CB MET A 44 -0.186 -1.836 6.613 1.00 0.00 C ATOM 671 CG MET A 44 0.412 -1.348 7.934 1.00 0.00 C ATOM 672 SD MET A 44 0.510 -2.699 9.096 1.00 0.00 S ATOM 673 CE MET A 44 0.219 -1.819 10.621 1.00 0.00 C ATOM 0 H MET A 44 1.440 -0.608 5.110 1.00 0.00 H new ATOM 0 HA MET A 44 1.410 -3.266 6.341 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.613 -0.993 6.069 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.001 -2.531 6.813 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.405 -0.933 7.762 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.201 -0.547 8.346 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.247 -2.519 11.456 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.991 -1.061 10.757 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.758 -1.338 10.583 1.00 0.00 H new ATOM 683 N ALA A 45 -0.153 -2.436 3.573 1.00 0.00 N ATOM 684 CA ALA A 45 -0.805 -2.971 2.389 1.00 0.00 C ATOM 685 C ALA A 45 0.103 -4.020 1.743 1.00 0.00 C ATOM 686 O ALA A 45 -0.336 -5.133 1.456 1.00 0.00 O ATOM 687 CB ALA A 45 -1.147 -1.827 1.433 1.00 0.00 C ATOM 0 H ALA A 45 -0.000 -1.428 3.557 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.740 -3.463 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.636 -2.228 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.817 -1.125 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.232 -1.311 1.141 1.00 0.00 H new ATOM 693 N LEU A 46 1.350 -3.628 1.532 1.00 0.00 N ATOM 694 CA LEU A 46 2.323 -4.520 0.925 1.00 0.00 C ATOM 695 C LEU A 46 2.584 -5.698 1.865 1.00 0.00 C ATOM 696 O LEU A 46 2.927 -6.791 1.416 1.00 0.00 O ATOM 697 CB LEU A 46 3.588 -3.750 0.538 1.00 0.00 C ATOM 698 CG LEU A 46 3.432 -2.727 -0.589 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.723 -2.604 -1.400 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.229 -3.065 -1.473 1.00 0.00 C ATOM 0 H LEU A 46 1.710 -2.704 1.771 1.00 0.00 H new ATOM 0 HA LEU A 46 1.933 -4.934 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.959 -3.233 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.352 -4.470 0.245 1.00 0.00 H new ATOM 0 HG LEU A 46 3.239 -1.752 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.585 -1.871 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.534 -2.283 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.971 -3.571 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.140 -2.323 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.367 -4.052 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.321 -3.061 -0.869 1.00 0.00 H new ATOM 712 N GLU A 47 2.412 -5.437 3.152 1.00 0.00 N ATOM 713 CA GLU A 47 2.625 -6.462 4.159 1.00 0.00 C ATOM 714 C GLU A 47 1.491 -7.489 4.119 1.00 0.00 C ATOM 715 O GLU A 47 1.738 -8.688 4.003 1.00 0.00 O ATOM 716 CB GLU A 47 2.755 -5.844 5.553 1.00 0.00 C ATOM 717 CG GLU A 47 4.200 -5.915 6.051 1.00 0.00 C ATOM 718 CD GLU A 47 4.341 -6.933 7.184 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.244 -6.565 8.364 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.557 -8.147 6.802 1.00 0.00 O ATOM 0 H GLU A 47 2.127 -4.530 3.521 1.00 0.00 H new ATOM 0 HA GLU A 47 3.561 -6.973 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.426 -4.805 5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.100 -6.368 6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.859 -6.189 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.517 -4.932 6.399 1.00 0.00 H new ATOM 728 N GLU A 48 0.271 -6.980 4.218 1.00 0.00 N ATOM 729 CA GLU A 48 -0.902 -7.838 4.194 1.00 0.00 C ATOM 730 C GLU A 48 -1.002 -8.562 2.850 1.00 0.00 C ATOM 731 O GLU A 48 -1.784 -9.501 2.704 1.00 0.00 O ATOM 732 CB GLU A 48 -2.173 -7.037 4.482 1.00 0.00 C ATOM 733 CG GLU A 48 -3.154 -7.850 5.328 1.00 0.00 C ATOM 734 CD GLU A 48 -4.386 -8.245 4.511 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.802 -7.495 3.616 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.915 -9.376 4.835 1.00 0.00 O ATOM 0 H GLU A 48 0.070 -5.985 4.315 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.798 -8.586 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.916 -6.115 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.647 -6.751 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.660 -8.746 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.461 -7.267 6.196 1.00 0.00 H new ATOM 744 N GLU A 49 -0.201 -8.099 1.903 1.00 0.00 N ATOM 745 CA GLU A 49 -0.190 -8.691 0.576 1.00 0.00 C ATOM 746 C GLU A 49 0.788 -9.867 0.527 1.00 0.00 C ATOM 747 O GLU A 49 0.372 -11.024 0.515 1.00 0.00 O ATOM 748 CB GLU A 49 0.155 -7.647 -0.488 1.00 0.00 C ATOM 749 CG GLU A 49 -0.756 -7.786 -1.709 1.00 0.00 C ATOM 750 CD GLU A 49 -1.772 -6.644 -1.768 1.00 0.00 C ATOM 751 OE1 GLU A 49 -2.118 -6.068 -0.727 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.206 -6.361 -2.950 1.00 0.00 O ATOM 0 H GLU A 49 0.446 -7.320 2.028 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.190 -9.066 0.359 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.054 -6.647 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.196 -7.762 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.154 -7.789 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.279 -8.741 -1.670 1.00 0.00 H new ATOM 760 N PHE A 50 2.068 -9.529 0.501 1.00 0.00 N ATOM 761 CA PHE A 50 3.109 -10.543 0.454 1.00 0.00 C ATOM 762 C PHE A 50 4.036 -10.433 1.666 1.00 0.00 C ATOM 763 O PHE A 50 5.164 -10.923 1.635 1.00 0.00 O ATOM 764 CB PHE A 50 3.920 -10.293 -0.818 1.00 0.00 C ATOM 765 CG PHE A 50 3.594 -11.254 -1.963 1.00 0.00 C ATOM 766 CD1 PHE A 50 2.599 -10.955 -2.841 1.00 0.00 C ATOM 767 CD2 PHE A 50 4.300 -12.408 -2.103 1.00 0.00 C ATOM 768 CE1 PHE A 50 2.297 -11.847 -3.903 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.998 -13.301 -3.166 1.00 0.00 C ATOM 770 CZ PHE A 50 3.003 -13.001 -4.043 1.00 0.00 C ATOM 0 H PHE A 50 2.409 -8.568 0.512 1.00 0.00 H new ATOM 0 HA PHE A 50 2.661 -11.537 0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.744 -9.271 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.981 -10.373 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.039 -10.039 -2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.090 -12.646 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.507 -11.609 -4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.558 -14.218 -3.277 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.773 -13.680 -4.851 1.00 0.00 H new ATOM 780 N ASP A 51 3.526 -9.788 2.705 1.00 0.00 N ATOM 781 CA ASP A 51 4.295 -9.608 3.925 1.00 0.00 C ATOM 782 C ASP A 51 5.749 -9.297 3.565 1.00 0.00 C ATOM 783 O ASP A 51 6.643 -10.101 3.829 1.00 0.00 O ATOM 784 CB ASP A 51 4.280 -10.877 4.778 1.00 0.00 C ATOM 785 CG ASP A 51 4.805 -10.704 6.204 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.013 -10.824 6.459 1.00 0.00 O ATOM 787 OD2 ASP A 51 3.906 -10.432 7.088 1.00 0.00 O ATOM 0 H ASP A 51 2.590 -9.384 2.727 1.00 0.00 H new ATOM 0 HA ASP A 51 3.846 -8.790 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.258 -11.252 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.876 -11.640 4.278 1.00 0.00 H new ATOM 793 N THR A 52 5.942 -8.131 2.967 1.00 0.00 N ATOM 794 CA THR A 52 7.273 -7.704 2.569 1.00 0.00 C ATOM 795 C THR A 52 7.763 -6.572 3.473 1.00 0.00 C ATOM 796 O THR A 52 8.930 -6.542 3.859 1.00 0.00 O ATOM 797 CB THR A 52 7.223 -7.322 1.088 1.00 0.00 C ATOM 798 OG1 THR A 52 5.861 -6.965 0.867 1.00 0.00 O ATOM 799 CG2 THR A 52 7.447 -8.522 0.166 1.00 0.00 C ATOM 0 H THR A 52 5.198 -7.468 2.748 1.00 0.00 H new ATOM 0 HA THR A 52 7.999 -8.508 2.688 1.00 0.00 H new ATOM 0 HB THR A 52 7.977 -6.561 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.740 -6.702 -0.069 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.402 -8.196 -0.873 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.426 -8.958 0.367 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.674 -9.269 0.346 1.00 0.00 H new ATOM 807 N GLU A 53 6.846 -5.666 3.783 1.00 0.00 N ATOM 808 CA GLU A 53 7.171 -4.534 4.634 1.00 0.00 C ATOM 809 C GLU A 53 7.997 -3.507 3.858 1.00 0.00 C ATOM 810 O GLU A 53 9.217 -3.634 3.758 1.00 0.00 O ATOM 811 CB GLU A 53 7.907 -4.990 5.896 1.00 0.00 C ATOM 812 CG GLU A 53 7.211 -6.196 6.531 1.00 0.00 C ATOM 813 CD GLU A 53 8.222 -7.104 7.234 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.971 -7.832 6.566 1.00 0.00 O ATOM 815 OE2 GLU A 53 8.213 -7.034 8.522 1.00 0.00 O ATOM 0 H GLU A 53 5.879 -5.693 3.460 1.00 0.00 H new ATOM 0 HA GLU A 53 6.240 -4.061 4.947 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.936 -5.249 5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.949 -4.170 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.464 -5.854 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.681 -6.761 5.764 1.00 0.00 H new ATOM 823 N ILE A 54 7.300 -2.512 3.329 1.00 0.00 N ATOM 824 CA ILE A 54 7.955 -1.463 2.565 1.00 0.00 C ATOM 825 C ILE A 54 8.430 -0.364 3.519 1.00 0.00 C ATOM 826 O ILE A 54 7.671 0.092 4.372 1.00 0.00 O ATOM 827 CB ILE A 54 7.034 -0.956 1.453 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.798 -0.803 0.136 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.338 0.342 1.867 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.301 0.631 -0.042 1.00 0.00 C ATOM 0 H ILE A 54 6.289 -2.410 3.414 1.00 0.00 H new ATOM 0 HA ILE A 54 8.840 -1.853 2.062 1.00 0.00 H new ATOM 0 HB ILE A 54 6.255 -1.700 1.288 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.642 -1.493 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.150 -1.071 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.690 0.681 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.741 0.165 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.087 1.106 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.841 0.713 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.453 1.316 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.968 0.887 0.781 1.00 0.00 H new ATOM 842 N PRO A 55 9.716 0.038 3.336 1.00 0.00 N ATOM 843 CA PRO A 55 10.301 1.074 4.170 1.00 0.00 C ATOM 844 C PRO A 55 9.776 2.456 3.776 1.00 0.00 C ATOM 845 O PRO A 55 8.815 2.566 3.016 1.00 0.00 O ATOM 846 CB PRO A 55 11.802 0.932 3.978 1.00 0.00 C ATOM 847 CG PRO A 55 11.985 0.136 2.697 1.00 0.00 C ATOM 848 CD PRO A 55 10.644 -0.480 2.335 1.00 0.00 C ATOM 0 HA PRO A 55 10.035 0.968 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.280 1.909 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.257 0.419 4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.338 0.782 1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.737 -0.641 2.835 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.338 -0.198 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.688 -1.569 2.362 1.00 0.00 H new ATOM 856 N ASP A 56 10.430 3.477 4.311 1.00 0.00 N ATOM 857 CA ASP A 56 10.041 4.848 4.025 1.00 0.00 C ATOM 858 C ASP A 56 10.891 5.384 2.872 1.00 0.00 C ATOM 859 O ASP A 56 10.556 6.404 2.272 1.00 0.00 O ATOM 860 CB ASP A 56 10.269 5.750 5.240 1.00 0.00 C ATOM 861 CG ASP A 56 9.049 6.562 5.680 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.767 7.638 5.133 1.00 0.00 O ATOM 863 OD2 ASP A 56 8.364 6.040 6.641 1.00 0.00 O ATOM 0 H ASP A 56 11.227 3.382 4.941 1.00 0.00 H new ATOM 0 HA ASP A 56 8.982 4.852 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.596 5.132 6.076 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.083 6.439 5.015 1.00 0.00 H new ATOM 869 N GLU A 57 11.974 4.673 2.597 1.00 0.00 N ATOM 870 CA GLU A 57 12.875 5.065 1.526 1.00 0.00 C ATOM 871 C GLU A 57 12.344 4.571 0.178 1.00 0.00 C ATOM 872 O GLU A 57 12.046 5.371 -0.707 1.00 0.00 O ATOM 873 CB GLU A 57 14.290 4.544 1.782 1.00 0.00 C ATOM 874 CG GLU A 57 15.121 5.571 2.554 1.00 0.00 C ATOM 875 CD GLU A 57 16.548 5.066 2.777 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.804 3.859 2.661 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.408 5.979 3.080 1.00 0.00 O ATOM 0 H GLU A 57 12.248 3.827 3.097 1.00 0.00 H new ATOM 0 HA GLU A 57 12.924 6.154 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.242 3.612 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.775 4.318 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.146 6.511 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.650 5.777 3.515 1.00 0.00 H new ATOM 885 N GLU A 58 12.242 3.255 0.065 1.00 0.00 N ATOM 886 CA GLU A 58 11.753 2.644 -1.159 1.00 0.00 C ATOM 887 C GLU A 58 10.301 3.055 -1.413 1.00 0.00 C ATOM 888 O GLU A 58 9.798 2.914 -2.527 1.00 0.00 O ATOM 889 CB GLU A 58 11.891 1.122 -1.106 1.00 0.00 C ATOM 890 CG GLU A 58 13.056 0.646 -1.976 1.00 0.00 C ATOM 891 CD GLU A 58 13.490 -0.768 -1.585 1.00 0.00 C ATOM 892 OE1 GLU A 58 14.689 -1.017 -1.390 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.531 -1.625 -1.484 1.00 0.00 O ATOM 0 H GLU A 58 12.490 2.594 0.802 1.00 0.00 H new ATOM 0 HA GLU A 58 12.362 3.001 -1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.048 0.803 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.965 0.657 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.762 0.663 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.897 1.331 -1.870 1.00 0.00 H new ATOM 901 N ALA A 59 9.668 3.555 -0.362 1.00 0.00 N ATOM 902 CA ALA A 59 8.284 3.987 -0.458 1.00 0.00 C ATOM 903 C ALA A 59 8.201 5.221 -1.359 1.00 0.00 C ATOM 904 O ALA A 59 7.305 5.323 -2.195 1.00 0.00 O ATOM 905 CB ALA A 59 7.734 4.252 0.945 1.00 0.00 C ATOM 0 H ALA A 59 10.088 3.671 0.560 1.00 0.00 H new ATOM 0 HA ALA A 59 7.669 3.208 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.696 4.576 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.789 3.338 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.325 5.031 1.426 1.00 0.00 H new ATOM 911 N GLU A 60 9.146 6.126 -1.158 1.00 0.00 N ATOM 912 CA GLU A 60 9.191 7.349 -1.942 1.00 0.00 C ATOM 913 C GLU A 60 9.383 7.022 -3.424 1.00 0.00 C ATOM 914 O GLU A 60 8.993 7.803 -4.291 1.00 0.00 O ATOM 915 CB GLU A 60 10.293 8.283 -1.439 1.00 0.00 C ATOM 916 CG GLU A 60 10.077 9.710 -1.948 1.00 0.00 C ATOM 917 CD GLU A 60 11.273 10.601 -1.604 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.033 10.288 -0.676 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.398 11.652 -2.341 1.00 0.00 O ATOM 0 H GLU A 60 9.887 6.038 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 60 8.240 7.868 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.308 8.280 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.264 7.917 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.928 9.696 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.171 10.124 -1.506 1.00 0.00 H new ATOM 927 N LYS A 61 9.983 5.867 -3.669 1.00 0.00 N ATOM 928 CA LYS A 61 10.232 5.427 -5.032 1.00 0.00 C ATOM 929 C LYS A 61 9.005 4.677 -5.553 1.00 0.00 C ATOM 930 O LYS A 61 9.024 4.141 -6.660 1.00 0.00 O ATOM 931 CB LYS A 61 11.526 4.614 -5.105 1.00 0.00 C ATOM 932 CG LYS A 61 12.478 5.191 -6.155 1.00 0.00 C ATOM 933 CD LYS A 61 12.944 4.106 -7.127 1.00 0.00 C ATOM 934 CE LYS A 61 12.958 4.627 -8.566 1.00 0.00 C ATOM 935 NZ LYS A 61 12.916 3.502 -9.526 1.00 0.00 N ATOM 0 H LYS A 61 10.304 5.222 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 61 10.384 6.285 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.013 4.611 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.295 3.577 -5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.978 5.988 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.341 5.638 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.942 3.768 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.284 3.241 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.104 5.284 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.855 5.223 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.926 3.874 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.745 2.891 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.048 2.950 -9.376 1.00 0.00 H new ATOM 948 N ILE A 62 7.966 4.663 -4.731 1.00 0.00 N ATOM 949 CA ILE A 62 6.732 3.988 -5.095 1.00 0.00 C ATOM 950 C ILE A 62 5.541 4.870 -4.714 1.00 0.00 C ATOM 951 O ILE A 62 4.456 4.366 -4.432 1.00 0.00 O ATOM 952 CB ILE A 62 6.684 2.589 -4.475 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.997 1.841 -4.709 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.476 1.803 -4.990 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.102 0.619 -3.795 1.00 0.00 C ATOM 0 H ILE A 62 7.953 5.109 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 62 6.685 3.836 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 62 6.563 2.696 -3.397 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.060 1.527 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.838 2.510 -4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.465 0.813 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.560 2.332 -4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.542 1.703 -6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.045 0.105 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.063 0.939 -2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.273 -0.059 -3.997 1.00 0.00 H new ATOM 967 N THR A 63 5.785 6.172 -4.720 1.00 0.00 N ATOM 968 CA THR A 63 4.746 7.130 -4.379 1.00 0.00 C ATOM 969 C THR A 63 3.503 6.897 -5.240 1.00 0.00 C ATOM 970 O THR A 63 2.419 6.648 -4.716 1.00 0.00 O ATOM 971 CB THR A 63 5.332 8.535 -4.526 1.00 0.00 C ATOM 972 OG1 THR A 63 5.792 8.581 -5.874 1.00 0.00 O ATOM 973 CG2 THR A 63 6.601 8.731 -3.693 1.00 0.00 C ATOM 0 H THR A 63 6.687 6.586 -4.956 1.00 0.00 H new ATOM 0 HA THR A 63 4.417 7.006 -3.347 1.00 0.00 H new ATOM 0 HB THR A 63 4.585 9.272 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.186 9.460 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.976 9.745 -3.834 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.373 8.572 -2.639 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.360 8.016 -4.012 1.00 0.00 H new ATOM 981 N THR A 64 3.702 6.985 -6.547 1.00 0.00 N ATOM 982 CA THR A 64 2.611 6.787 -7.485 1.00 0.00 C ATOM 983 C THR A 64 1.836 5.514 -7.140 1.00 0.00 C ATOM 984 O THR A 64 2.176 4.814 -6.188 1.00 0.00 O ATOM 985 CB THR A 64 3.198 6.777 -8.898 1.00 0.00 C ATOM 986 OG1 THR A 64 4.548 6.363 -8.710 1.00 0.00 O ATOM 987 CG2 THR A 64 3.318 8.182 -9.492 1.00 0.00 C ATOM 0 H THR A 64 4.603 7.191 -6.978 1.00 0.00 H new ATOM 0 HA THR A 64 1.885 7.598 -7.425 1.00 0.00 H new ATOM 0 HB THR A 64 2.574 6.161 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.003 6.327 -9.577 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.740 8.118 -10.495 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.331 8.641 -9.542 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.969 8.789 -8.863 1.00 0.00 H new ATOM 995 N VAL A 65 0.807 5.253 -7.934 1.00 0.00 N ATOM 996 CA VAL A 65 -0.019 4.076 -7.725 1.00 0.00 C ATOM 997 C VAL A 65 0.529 2.918 -8.560 1.00 0.00 C ATOM 998 O VAL A 65 0.888 1.873 -8.019 1.00 0.00 O ATOM 999 CB VAL A 65 -1.481 4.401 -8.039 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.404 3.269 -7.583 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.894 5.733 -7.410 1.00 0.00 C ATOM 0 H VAL A 65 0.527 5.836 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 65 0.014 3.767 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.578 4.497 -9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.437 3.525 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.132 2.348 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.301 3.127 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.937 5.940 -7.648 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.773 5.677 -6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.266 6.532 -7.805 1.00 0.00 H new ATOM 1011 N GLN A 66 0.576 3.142 -9.865 1.00 0.00 N ATOM 1012 CA GLN A 66 1.075 2.130 -10.781 1.00 0.00 C ATOM 1013 C GLN A 66 2.405 1.567 -10.277 1.00 0.00 C ATOM 1014 O GLN A 66 2.798 0.463 -10.651 1.00 0.00 O ATOM 1015 CB GLN A 66 1.219 2.694 -12.196 1.00 0.00 C ATOM 1016 CG GLN A 66 1.496 1.578 -13.205 1.00 0.00 C ATOM 1017 CD GLN A 66 0.251 1.271 -14.039 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.876 1.425 -13.599 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.517 0.828 -15.265 1.00 0.00 N ATOM 0 H GLN A 66 0.277 4.010 -10.310 1.00 0.00 H new ATOM 0 HA GLN A 66 0.351 1.316 -10.822 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.308 3.223 -12.475 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.031 3.421 -12.221 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.315 1.872 -13.862 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.816 0.679 -12.679 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.484 0.722 -15.570 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.247 0.594 -15.900 1.00 0.00 H new ATOM 1028 N ALA A 67 3.063 2.352 -9.436 1.00 0.00 N ATOM 1029 CA ALA A 67 4.341 1.947 -8.878 1.00 0.00 C ATOM 1030 C ALA A 67 4.129 0.751 -7.946 1.00 0.00 C ATOM 1031 O ALA A 67 5.010 -0.095 -7.807 1.00 0.00 O ATOM 1032 CB ALA A 67 4.987 3.135 -8.163 1.00 0.00 C ATOM 0 H ALA A 67 2.734 3.267 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 67 5.022 1.633 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.946 2.830 -7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.143 3.947 -8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.333 3.476 -7.360 1.00 0.00 H new ATOM 1038 N ALA A 68 2.955 0.721 -7.332 1.00 0.00 N ATOM 1039 CA ALA A 68 2.617 -0.356 -6.418 1.00 0.00 C ATOM 1040 C ALA A 68 2.109 -1.557 -7.218 1.00 0.00 C ATOM 1041 O ALA A 68 1.647 -2.541 -6.642 1.00 0.00 O ATOM 1042 CB ALA A 68 1.589 0.143 -5.400 1.00 0.00 C ATOM 0 H ALA A 68 2.227 1.425 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 68 3.497 -0.679 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.335 -0.665 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.009 0.978 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.690 0.472 -5.922 1.00 0.00 H new ATOM 1048 N ILE A 69 2.212 -1.438 -8.533 1.00 0.00 N ATOM 1049 CA ILE A 69 1.769 -2.502 -9.418 1.00 0.00 C ATOM 1050 C ILE A 69 2.986 -3.143 -10.087 1.00 0.00 C ATOM 1051 O ILE A 69 3.008 -4.351 -10.317 1.00 0.00 O ATOM 1052 CB ILE A 69 0.728 -1.976 -10.409 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.640 -1.828 -9.741 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.664 -2.860 -11.657 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.870 -0.388 -9.278 1.00 0.00 C ATOM 0 H ILE A 69 2.596 -0.621 -9.008 1.00 0.00 H new ATOM 0 HA ILE A 69 1.267 -3.286 -8.850 1.00 0.00 H new ATOM 0 HB ILE A 69 1.037 -0.982 -10.733 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.424 -2.119 -10.440 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.707 -2.503 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.083 -2.465 -12.345 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.638 -2.870 -12.146 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.391 -3.876 -11.370 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.850 -0.309 -8.806 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.098 -0.109 -8.560 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.826 0.282 -10.137 1.00 0.00 H new ATOM 1067 N ASP A 70 3.970 -2.305 -10.381 1.00 0.00 N ATOM 1068 CA ASP A 70 5.188 -2.775 -11.019 1.00 0.00 C ATOM 1069 C ASP A 70 6.054 -3.496 -9.984 1.00 0.00 C ATOM 1070 O ASP A 70 6.660 -4.524 -10.285 1.00 0.00 O ATOM 1071 CB ASP A 70 5.999 -1.608 -11.584 1.00 0.00 C ATOM 1072 CG ASP A 70 6.657 -1.874 -12.939 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.381 -2.890 -13.595 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.497 -0.974 -13.324 1.00 0.00 O ATOM 0 H ASP A 70 3.948 -1.303 -10.189 1.00 0.00 H new ATOM 0 HA ASP A 70 4.907 -3.445 -11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.344 -0.742 -11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.775 -1.343 -10.866 1.00 0.00 H new ATOM 1080 N TYR A 71 6.086 -2.929 -8.787 1.00 0.00 N ATOM 1081 CA TYR A 71 6.869 -3.505 -7.707 1.00 0.00 C ATOM 1082 C TYR A 71 6.201 -4.768 -7.159 1.00 0.00 C ATOM 1083 O TYR A 71 6.882 -5.708 -6.752 1.00 0.00 O ATOM 1084 CB TYR A 71 6.910 -2.445 -6.605 1.00 0.00 C ATOM 1085 CG TYR A 71 8.251 -2.361 -5.872 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.324 -1.729 -6.467 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.387 -2.917 -4.616 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.585 -1.649 -5.778 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.649 -2.838 -3.927 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.686 -2.208 -4.542 1.00 0.00 C ATOM 1091 OH TYR A 71 11.877 -2.133 -3.891 1.00 0.00 O ATOM 0 H TYR A 71 5.582 -2.077 -8.541 1.00 0.00 H new ATOM 0 HA TYR A 71 7.863 -3.782 -8.058 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.685 -1.472 -7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.124 -2.658 -5.880 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.217 -1.294 -7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.547 -3.411 -4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.432 -1.156 -6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.769 -3.269 -2.944 1.00 0.00 H new ATOM 0 HH TYR A 71 11.721 -1.924 -2.946 1.00 0.00 H new ATOM 1101 N ILE A 72 4.876 -4.748 -7.165 1.00 0.00 N ATOM 1102 CA ILE A 72 4.108 -5.880 -6.674 1.00 0.00 C ATOM 1103 C ILE A 72 4.118 -6.992 -7.724 1.00 0.00 C ATOM 1104 O ILE A 72 4.117 -8.174 -7.382 1.00 0.00 O ATOM 1105 CB ILE A 72 2.703 -5.436 -6.262 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.756 -4.504 -5.049 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.796 -6.643 -6.018 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.100 -5.280 -3.776 1.00 0.00 C ATOM 0 H ILE A 72 4.315 -3.966 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 72 4.566 -6.288 -5.773 1.00 0.00 H new ATOM 0 HB ILE A 72 2.269 -4.869 -7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.500 -3.725 -5.217 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.794 -4.005 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.804 -6.299 -5.726 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.722 -7.233 -6.932 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.215 -7.258 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.131 -4.594 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.341 -6.042 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.073 -5.757 -3.893 1.00 0.00 H new ATOM 1120 N ASN A 73 4.128 -6.575 -8.981 1.00 0.00 N ATOM 1121 CA ASN A 73 4.139 -7.521 -10.084 1.00 0.00 C ATOM 1122 C ASN A 73 5.245 -8.553 -9.855 1.00 0.00 C ATOM 1123 O ASN A 73 5.154 -9.683 -10.332 1.00 0.00 O ATOM 1124 CB ASN A 73 4.418 -6.816 -11.413 1.00 0.00 C ATOM 1125 CG ASN A 73 3.408 -7.240 -12.481 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.685 -8.054 -13.346 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.224 -6.644 -12.372 1.00 0.00 N ATOM 0 H ASN A 73 4.129 -5.594 -9.261 1.00 0.00 H new ATOM 0 HA ASN A 73 3.160 -7.998 -10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.372 -5.736 -11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.428 -7.051 -11.749 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.481 -6.860 -13.037 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.059 -5.971 -11.623 1.00 0.00 H new ATOM 1134 N GLY A 74 6.265 -8.127 -9.124 1.00 0.00 N ATOM 1135 CA GLY A 74 7.388 -8.999 -8.825 1.00 0.00 C ATOM 1136 C GLY A 74 6.913 -10.426 -8.542 1.00 0.00 C ATOM 1137 O GLY A 74 7.646 -11.386 -8.776 1.00 0.00 O ATOM 0 H GLY A 74 6.337 -7.189 -8.730 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.084 -9.003 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.932 -8.615 -7.962 1.00 0.00 H new ATOM 1141 N HIS A 75 5.690 -10.520 -8.041 1.00 0.00 N ATOM 1142 CA HIS A 75 5.110 -11.813 -7.722 1.00 0.00 C ATOM 1143 C HIS A 75 4.863 -12.597 -9.013 1.00 0.00 C ATOM 1144 O HIS A 75 5.632 -13.494 -9.355 1.00 0.00 O ATOM 1145 CB HIS A 75 3.844 -11.648 -6.879 1.00 0.00 C ATOM 1146 CG HIS A 75 2.733 -12.603 -7.244 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.859 -13.977 -7.135 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.475 -12.368 -7.717 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.723 -14.533 -7.528 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.867 -13.535 -7.889 1.00 0.00 N ATOM 0 H HIS A 75 5.085 -9.722 -7.848 1.00 0.00 H new ATOM 0 HA HIS A 75 5.809 -12.389 -7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.099 -11.788 -5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.480 -10.626 -6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.047 -11.397 -7.917 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.512 -15.592 -7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.084 -13.664 -8.234 1.00 0.00 H new ATOM 1158 N GLN A 76 3.788 -12.229 -9.695 1.00 0.00 N ATOM 1159 CA GLN A 76 3.431 -12.886 -10.941 1.00 0.00 C ATOM 1160 C GLN A 76 3.702 -14.389 -10.845 1.00 0.00 C ATOM 1161 O GLN A 76 3.798 -14.937 -9.748 1.00 0.00 O ATOM 1162 CB GLN A 76 4.182 -12.268 -12.122 1.00 0.00 C ATOM 1163 CG GLN A 76 3.206 -11.750 -13.181 1.00 0.00 C ATOM 1164 CD GLN A 76 2.124 -10.874 -12.548 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.592 -9.971 -11.690 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 0.942 -11.007 -12.821 1.00 0.00 N flip ATOM 0 H GLN A 76 3.153 -11.484 -9.408 1.00 0.00 H new ATOM 0 HA GLN A 76 2.365 -12.739 -11.114 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.810 -11.450 -11.770 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.845 -13.011 -12.565 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.750 -11.177 -13.932 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.742 -12.591 -13.696 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.650 -11.721 -13.489 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.246 -10.405 -12.381 1.00 0.00 H new