USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 3:sc= 0.449 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 53:sc= 0.794 USER MOD Single : A 12 GLN : amide:sc= -0.161 K(o=-0.16,f=-2.4!) USER MOD Single : A 19 ASN : amide:sc= -0.0675 X(o=-0.068,f=-0.49) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -175:sc= -7.27! (180deg=-7.63!) USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= -0.916 (180deg=-2.96!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -107:sc= -4.03! (180deg=-8.66!) USER MOD Single : A 31 ASN : amide:sc= -0.304 K(o=-0.3,f=-1.9!) USER MOD Single : A 32 MET CE :methyl 155:sc= -0.725 (180deg=-1.22) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 93:sc= -0.441 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.72 F(o=-2.3,f=-1.7) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 92:sc= -1.05! USER MOD Single : A 54 GLN : amide:sc= -0.739 K(o=-0.74,f=-5.9!) USER MOD Single : A 57 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.028) USER MOD Single : A 58 MET CE :methyl 147:sc= -0.489 (180deg=-2.67!) USER MOD Single : A 59 ASN : amide:sc= 0.143 K(o=0.14,f=-0.5) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.221 4.209 4.463 1.00 0.00 N ATOM 2 CA GLY A 1 -29.626 4.305 4.821 1.00 0.00 C ATOM 3 C GLY A 1 -30.489 4.569 3.585 1.00 0.00 C ATOM 4 O GLY A 1 -30.744 3.660 2.797 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.656 4.030 5.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.087 3.428 3.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 -27.913 5.100 4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.946 3.381 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.767 5.107 5.545 1.00 0.00 H new ATOM 8 N SER A 2 -30.915 5.816 3.455 1.00 0.00 N ATOM 9 CA SER A 2 -31.744 6.211 2.329 1.00 0.00 C ATOM 10 C SER A 2 -31.593 7.711 2.068 1.00 0.00 C ATOM 11 O SER A 2 -31.229 8.119 0.966 1.00 0.00 O ATOM 12 CB SER A 2 -33.213 5.861 2.578 1.00 0.00 C ATOM 13 OG SER A 2 -33.424 4.453 2.633 1.00 0.00 O ATOM 0 H SER A 2 -30.702 6.567 4.111 1.00 0.00 H new ATOM 0 HA SER A 2 -31.411 5.661 1.449 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.540 6.313 3.514 1.00 0.00 H new ATOM 0 HB3 SER A 2 -33.827 6.289 1.786 1.00 0.00 H new ATOM 0 HG SER A 2 -32.564 3.990 2.549 1.00 0.00 H new ATOM 19 N SER A 3 -31.879 8.491 3.100 1.00 0.00 N ATOM 20 CA SER A 3 -31.779 9.936 2.996 1.00 0.00 C ATOM 21 C SER A 3 -30.414 10.327 2.428 1.00 0.00 C ATOM 22 O SER A 3 -29.537 9.479 2.269 1.00 0.00 O ATOM 23 CB SER A 3 -32.000 10.603 4.355 1.00 0.00 C ATOM 24 OG SER A 3 -31.184 10.026 5.371 1.00 0.00 O ATOM 0 H SER A 3 -32.180 8.149 4.013 1.00 0.00 H new ATOM 0 HA SER A 3 -32.560 10.285 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.782 11.668 4.276 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.049 10.512 4.637 1.00 0.00 H new ATOM 0 HG SER A 3 -31.353 10.480 6.223 1.00 0.00 H new ATOM 30 N GLY A 4 -30.275 11.612 2.137 1.00 0.00 N ATOM 31 CA GLY A 4 -29.030 12.126 1.591 1.00 0.00 C ATOM 32 C GLY A 4 -29.291 13.295 0.639 1.00 0.00 C ATOM 33 O GLY A 4 -29.923 13.124 -0.402 1.00 0.00 O ATOM 0 H GLY A 4 -31.004 12.313 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.380 12.452 2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.505 11.331 1.061 1.00 0.00 H new ATOM 37 N SER A 5 -28.791 14.458 1.030 1.00 0.00 N ATOM 38 CA SER A 5 -28.961 15.655 0.225 1.00 0.00 C ATOM 39 C SER A 5 -27.641 16.020 -0.456 1.00 0.00 C ATOM 40 O SER A 5 -26.798 16.693 0.135 1.00 0.00 O ATOM 41 CB SER A 5 -29.460 16.825 1.076 1.00 0.00 C ATOM 42 OG SER A 5 -29.204 18.083 0.458 1.00 0.00 O ATOM 0 H SER A 5 -28.268 14.597 1.894 1.00 0.00 H new ATOM 0 HA SER A 5 -29.712 15.450 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.531 16.717 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.976 16.796 2.052 1.00 0.00 H new ATOM 0 HG SER A 5 -29.539 18.803 1.032 1.00 0.00 H new ATOM 48 N SER A 6 -27.503 15.560 -1.691 1.00 0.00 N ATOM 49 CA SER A 6 -26.299 15.830 -2.460 1.00 0.00 C ATOM 50 C SER A 6 -26.441 15.257 -3.871 1.00 0.00 C ATOM 51 O SER A 6 -26.098 14.101 -4.113 1.00 0.00 O ATOM 52 CB SER A 6 -25.064 15.246 -1.771 1.00 0.00 C ATOM 53 OG SER A 6 -24.353 16.230 -1.025 1.00 0.00 O ATOM 0 H SER A 6 -28.204 15.002 -2.178 1.00 0.00 H new ATOM 0 HA SER A 6 -26.169 16.910 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.368 14.437 -1.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.402 14.811 -2.520 1.00 0.00 H new ATOM 0 HG SER A 6 -24.968 16.682 -0.410 1.00 0.00 H new ATOM 59 N GLY A 7 -26.947 16.093 -4.767 1.00 0.00 N ATOM 60 CA GLY A 7 -27.138 15.684 -6.148 1.00 0.00 C ATOM 61 C GLY A 7 -25.825 15.191 -6.760 1.00 0.00 C ATOM 62 O GLY A 7 -24.754 15.402 -6.194 1.00 0.00 O ATOM 0 H GLY A 7 -27.230 17.051 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -27.886 14.893 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -27.522 16.522 -6.729 1.00 0.00 H new ATOM 66 N ARG A 8 -25.952 14.543 -7.909 1.00 0.00 N ATOM 67 CA ARG A 8 -24.789 14.019 -8.605 1.00 0.00 C ATOM 68 C ARG A 8 -24.038 13.029 -7.711 1.00 0.00 C ATOM 69 O ARG A 8 -24.151 13.082 -6.488 1.00 0.00 O ATOM 70 CB ARG A 8 -23.839 15.145 -9.017 1.00 0.00 C ATOM 71 CG ARG A 8 -24.366 15.882 -10.250 1.00 0.00 C ATOM 72 CD ARG A 8 -24.011 15.128 -11.533 1.00 0.00 C ATOM 73 NE ARG A 8 -23.689 16.088 -12.612 1.00 0.00 N ATOM 74 CZ ARG A 8 -22.516 16.728 -12.724 1.00 0.00 C ATOM 75 NH1 ARG A 8 -21.548 16.513 -11.822 1.00 0.00 N ATOM 76 NH2 ARG A 8 -22.313 17.581 -13.736 1.00 0.00 N ATOM 0 H ARG A 8 -26.842 14.369 -8.375 1.00 0.00 H new ATOM 0 HA ARG A 8 -25.141 13.510 -9.502 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.722 15.847 -8.192 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -22.852 14.734 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.448 15.993 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.944 16.886 -10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.160 14.470 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.845 14.495 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.404 16.275 -13.315 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.704 15.863 -11.051 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.655 16.999 -11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.051 17.744 -14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -21.421 18.068 -13.821 1.00 0.00 H new ATOM 90 N PRO A 9 -23.267 12.126 -8.375 1.00 0.00 N ATOM 91 CA PRO A 9 -22.498 11.126 -7.654 1.00 0.00 C ATOM 92 C PRO A 9 -21.264 11.750 -7.000 1.00 0.00 C ATOM 93 O PRO A 9 -20.138 11.507 -7.432 1.00 0.00 O ATOM 94 CB PRO A 9 -22.151 10.073 -8.694 1.00 0.00 C ATOM 95 CG PRO A 9 -22.336 10.744 -10.045 1.00 0.00 C ATOM 96 CD PRO A 9 -23.109 12.033 -9.823 1.00 0.00 C ATOM 0 HA PRO A 9 -23.053 10.683 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -21.126 9.723 -8.569 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -22.799 9.202 -8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -21.369 10.953 -10.503 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -22.877 10.087 -10.727 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -22.567 12.892 -10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -24.076 12.007 -10.326 1.00 0.00 H new ATOM 104 N ALA A 10 -21.517 12.544 -5.970 1.00 0.00 N ATOM 105 CA ALA A 10 -20.440 13.205 -5.252 1.00 0.00 C ATOM 106 C ALA A 10 -20.491 12.798 -3.778 1.00 0.00 C ATOM 107 O ALA A 10 -21.282 13.340 -3.008 1.00 0.00 O ATOM 108 CB ALA A 10 -20.553 14.718 -5.443 1.00 0.00 C ATOM 0 H ALA A 10 -22.452 12.745 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.471 12.898 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.745 15.214 -4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.482 14.957 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -21.512 15.063 -5.057 1.00 0.00 H new ATOM 114 N ARG A 11 -19.637 11.847 -3.429 1.00 0.00 N ATOM 115 CA ARG A 11 -19.574 11.362 -2.061 1.00 0.00 C ATOM 116 C ARG A 11 -18.154 10.903 -1.725 1.00 0.00 C ATOM 117 O ARG A 11 -17.761 9.788 -2.065 1.00 0.00 O ATOM 118 CB ARG A 11 -20.544 10.198 -1.845 1.00 0.00 C ATOM 119 CG ARG A 11 -20.554 9.759 -0.379 1.00 0.00 C ATOM 120 CD ARG A 11 -21.926 9.999 0.255 1.00 0.00 C ATOM 121 NE ARG A 11 -21.971 9.397 1.606 1.00 0.00 N ATOM 122 CZ ARG A 11 -23.091 9.257 2.329 1.00 0.00 C ATOM 123 NH1 ARG A 11 -24.264 9.677 1.835 1.00 0.00 N ATOM 124 NH2 ARG A 11 -23.037 8.699 3.546 1.00 0.00 N ATOM 0 H ARG A 11 -18.983 11.399 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.858 12.184 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -21.548 10.496 -2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.257 9.358 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.297 8.702 -0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.792 10.308 0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.125 11.069 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -22.706 9.566 -0.371 1.00 0.00 H new ATOM 0 HE ARG A 11 -21.095 9.068 2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -24.304 10.103 0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -25.116 9.571 2.385 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.144 8.381 3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -23.889 8.592 4.096 1.00 0.00 H new ATOM 138 N GLN A 12 -17.422 11.786 -1.062 1.00 0.00 N ATOM 139 CA GLN A 12 -16.054 11.485 -0.677 1.00 0.00 C ATOM 140 C GLN A 12 -15.268 10.954 -1.877 1.00 0.00 C ATOM 141 O GLN A 12 -14.949 9.768 -1.940 1.00 0.00 O ATOM 142 CB GLN A 12 -16.017 10.491 0.485 1.00 0.00 C ATOM 143 CG GLN A 12 -14.877 10.817 1.451 1.00 0.00 C ATOM 144 CD GLN A 12 -15.373 11.680 2.614 1.00 0.00 C ATOM 145 OE1 GLN A 12 -16.553 11.952 2.759 1.00 0.00 O ATOM 146 NE2 GLN A 12 -14.408 12.093 3.431 1.00 0.00 N ATOM 0 H GLN A 12 -17.751 12.710 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.582 12.408 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.968 10.514 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.893 9.479 0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.447 9.893 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.083 11.340 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.439 11.828 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.637 12.674 4.237 1.00 0.00 H new ATOM 155 N VAL A 13 -14.979 11.859 -2.802 1.00 0.00 N ATOM 156 CA VAL A 13 -14.237 11.496 -3.997 1.00 0.00 C ATOM 157 C VAL A 13 -12.799 12.004 -3.873 1.00 0.00 C ATOM 158 O VAL A 13 -12.557 13.053 -3.277 1.00 0.00 O ATOM 159 CB VAL A 13 -14.954 12.028 -5.240 1.00 0.00 C ATOM 160 CG1 VAL A 13 -14.869 13.554 -5.311 1.00 0.00 C ATOM 161 CG2 VAL A 13 -14.395 11.388 -6.512 1.00 0.00 C ATOM 0 H VAL A 13 -15.245 12.842 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 13 -14.191 10.412 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 13 -16.006 11.754 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.386 13.906 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -15.337 13.986 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.823 13.859 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.922 11.784 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -13.333 11.616 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.532 10.308 -6.466 1.00 0.00 H new ATOM 171 N ARG A 14 -11.883 11.238 -4.446 1.00 0.00 N ATOM 172 CA ARG A 14 -10.476 11.597 -4.408 1.00 0.00 C ATOM 173 C ARG A 14 -10.046 11.904 -2.972 1.00 0.00 C ATOM 174 O ARG A 14 -10.113 13.051 -2.532 1.00 0.00 O ATOM 175 CB ARG A 14 -10.194 12.816 -5.289 1.00 0.00 C ATOM 176 CG ARG A 14 -8.977 12.575 -6.184 1.00 0.00 C ATOM 177 CD ARG A 14 -9.199 13.162 -7.580 1.00 0.00 C ATOM 178 NE ARG A 14 -9.176 12.082 -8.592 1.00 0.00 N ATOM 179 CZ ARG A 14 -9.228 12.291 -9.914 1.00 0.00 C ATOM 180 NH1 ARG A 14 -9.305 13.540 -10.393 1.00 0.00 N ATOM 181 NH2 ARG A 14 -9.202 11.250 -10.758 1.00 0.00 N ATOM 0 H ARG A 14 -12.088 10.369 -4.940 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.907 10.749 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.066 13.033 -5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.021 13.691 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.094 13.026 -5.732 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.784 11.505 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.155 13.685 -7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.425 13.897 -7.802 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.117 11.119 -8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.324 14.332 -9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.345 13.699 -11.400 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.143 10.299 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.242 11.409 -11.765 1.00 0.00 H new ATOM 195 N ARG A 15 -9.613 10.860 -2.281 1.00 0.00 N ATOM 196 CA ARG A 15 -9.172 11.004 -0.904 1.00 0.00 C ATOM 197 C ARG A 15 -8.571 9.690 -0.399 1.00 0.00 C ATOM 198 O ARG A 15 -9.167 8.627 -0.564 1.00 0.00 O ATOM 199 CB ARG A 15 -10.333 11.408 0.006 1.00 0.00 C ATOM 200 CG ARG A 15 -9.956 12.612 0.873 1.00 0.00 C ATOM 201 CD ARG A 15 -9.491 12.165 2.260 1.00 0.00 C ATOM 202 NE ARG A 15 -9.986 13.108 3.288 1.00 0.00 N ATOM 203 CZ ARG A 15 -9.912 12.888 4.608 1.00 0.00 C ATOM 204 NH1 ARG A 15 -9.363 11.755 5.068 1.00 0.00 N ATOM 205 NH2 ARG A 15 -10.386 13.800 5.467 1.00 0.00 N ATOM 0 H ARG A 15 -9.558 9.910 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.415 11.788 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.207 11.650 -0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -10.609 10.568 0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.164 13.181 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.814 13.277 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.858 11.160 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.402 12.119 2.290 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.410 13.980 2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.002 11.061 4.414 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.306 11.587 6.072 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.803 14.662 5.117 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.330 13.632 6.472 1.00 0.00 H new ATOM 219 N LEU A 16 -7.398 9.807 0.205 1.00 0.00 N ATOM 220 CA LEU A 16 -6.709 8.642 0.735 1.00 0.00 C ATOM 221 C LEU A 16 -5.590 9.100 1.672 1.00 0.00 C ATOM 222 O LEU A 16 -4.836 10.014 1.344 1.00 0.00 O ATOM 223 CB LEU A 16 -6.229 7.740 -0.404 1.00 0.00 C ATOM 224 CG LEU A 16 -5.855 6.309 -0.013 1.00 0.00 C ATOM 225 CD1 LEU A 16 -4.605 6.289 0.868 1.00 0.00 C ATOM 226 CD2 LEU A 16 -7.035 5.596 0.651 1.00 0.00 C ATOM 0 H LEU A 16 -6.907 10.691 0.339 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.391 8.032 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.012 7.696 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.361 8.207 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.616 5.759 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.362 5.260 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.770 6.732 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.791 6.861 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.743 4.581 0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.329 6.138 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.875 5.560 -0.042 1.00 0.00 H new ATOM 238 N GLU A 17 -5.517 8.442 2.820 1.00 0.00 N ATOM 239 CA GLU A 17 -4.502 8.769 3.807 1.00 0.00 C ATOM 240 C GLU A 17 -3.796 7.498 4.284 1.00 0.00 C ATOM 241 O GLU A 17 -2.595 7.334 4.072 1.00 0.00 O ATOM 242 CB GLU A 17 -5.109 9.534 4.984 1.00 0.00 C ATOM 243 CG GLU A 17 -4.025 9.966 5.974 1.00 0.00 C ATOM 244 CD GLU A 17 -4.607 10.867 7.066 1.00 0.00 C ATOM 245 OE1 GLU A 17 -4.836 12.057 6.757 1.00 0.00 O ATOM 246 OE2 GLU A 17 -4.810 10.346 8.183 1.00 0.00 O ATOM 0 H GLU A 17 -6.144 7.684 3.089 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.762 9.417 3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.642 10.411 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.841 8.906 5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.570 9.086 6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.234 10.496 5.444 1.00 0.00 H new ATOM 253 N PHE A 18 -4.572 6.632 4.919 1.00 0.00 N ATOM 254 CA PHE A 18 -4.036 5.381 5.428 1.00 0.00 C ATOM 255 C PHE A 18 -5.138 4.529 6.060 1.00 0.00 C ATOM 256 O PHE A 18 -5.282 3.352 5.734 1.00 0.00 O ATOM 257 CB PHE A 18 -3.006 5.739 6.501 1.00 0.00 C ATOM 258 CG PHE A 18 -1.982 4.635 6.773 1.00 0.00 C ATOM 259 CD1 PHE A 18 -2.342 3.534 7.485 1.00 0.00 C ATOM 260 CD2 PHE A 18 -0.711 4.756 6.304 1.00 0.00 C ATOM 261 CE1 PHE A 18 -1.392 2.510 7.738 1.00 0.00 C ATOM 262 CE2 PHE A 18 0.240 3.732 6.557 1.00 0.00 C ATOM 263 CZ PHE A 18 -0.121 2.630 7.268 1.00 0.00 C ATOM 0 H PHE A 18 -5.567 6.772 5.093 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.593 4.808 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.478 6.643 6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.529 5.972 7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.351 3.439 7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.425 5.631 5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.678 1.636 8.304 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.249 3.828 6.185 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.601 1.850 7.459 1.00 0.00 H new ATOM 273 N ASN A 19 -5.889 5.157 6.953 1.00 0.00 N ATOM 274 CA ASN A 19 -6.974 4.472 7.634 1.00 0.00 C ATOM 275 C ASN A 19 -7.742 3.615 6.626 1.00 0.00 C ATOM 276 O ASN A 19 -7.809 2.394 6.766 1.00 0.00 O ATOM 277 CB ASN A 19 -7.956 5.471 8.250 1.00 0.00 C ATOM 278 CG ASN A 19 -8.025 5.306 9.769 1.00 0.00 C ATOM 279 OD1 ASN A 19 -7.034 5.062 10.438 1.00 0.00 O ATOM 280 ND2 ASN A 19 -9.246 5.452 10.275 1.00 0.00 N ATOM 0 H ASN A 19 -5.767 6.134 7.221 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.542 3.858 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.648 6.487 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.947 5.325 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.396 5.360 11.280 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.033 5.656 9.658 1.00 0.00 H new ATOM 287 N GLN A 20 -8.303 4.287 5.631 1.00 0.00 N ATOM 288 CA GLN A 20 -9.064 3.602 4.600 1.00 0.00 C ATOM 289 C GLN A 20 -8.235 2.467 3.995 1.00 0.00 C ATOM 290 O GLN A 20 -8.727 1.351 3.836 1.00 0.00 O ATOM 291 CB GLN A 20 -9.526 4.580 3.519 1.00 0.00 C ATOM 292 CG GLN A 20 -10.712 4.012 2.736 1.00 0.00 C ATOM 293 CD GLN A 20 -11.590 5.135 2.180 1.00 0.00 C ATOM 294 OE1 GLN A 20 -12.522 5.601 2.815 1.00 0.00 O ATOM 295 NE2 GLN A 20 -11.243 5.540 0.962 1.00 0.00 N ATOM 0 H GLN A 20 -8.246 5.299 5.517 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.954 3.171 5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.809 5.528 3.978 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.702 4.789 2.837 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.348 3.391 1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.306 3.368 3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.451 5.107 0.487 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.768 6.284 0.503 1.00 0.00 H new ATOM 304 N ALA A 21 -6.991 2.792 3.673 1.00 0.00 N ATOM 305 CA ALA A 21 -6.090 1.814 3.089 1.00 0.00 C ATOM 306 C ALA A 21 -6.261 0.475 3.808 1.00 0.00 C ATOM 307 O ALA A 21 -6.652 -0.518 3.196 1.00 0.00 O ATOM 308 CB ALA A 21 -4.653 2.336 3.162 1.00 0.00 C ATOM 0 H ALA A 21 -6.587 3.719 3.806 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.326 1.655 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.977 1.602 2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.578 3.273 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.380 2.505 4.204 1.00 0.00 H new ATOM 314 N MET A 22 -5.960 0.490 5.098 1.00 0.00 N ATOM 315 CA MET A 22 -6.076 -0.711 5.908 1.00 0.00 C ATOM 316 C MET A 22 -7.402 -1.427 5.641 1.00 0.00 C ATOM 317 O MET A 22 -7.416 -2.611 5.308 1.00 0.00 O ATOM 318 CB MET A 22 -5.986 -0.339 7.389 1.00 0.00 C ATOM 319 CG MET A 22 -4.643 0.320 7.708 1.00 0.00 C ATOM 320 SD MET A 22 -3.304 -0.742 7.195 1.00 0.00 S ATOM 321 CE MET A 22 -3.362 -1.964 8.496 1.00 0.00 C ATOM 0 H MET A 22 -5.636 1.315 5.603 1.00 0.00 H new ATOM 0 HA MET A 22 -5.261 -1.385 5.643 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.799 0.340 7.647 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.111 -1.233 8.000 1.00 0.00 H new ATOM 0 HG2 MET A 22 -4.571 1.281 7.200 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.571 0.519 8.777 1.00 0.00 H new ATOM 0 HE1 MET A 22 -2.531 -2.659 8.379 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.288 -1.469 9.464 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.303 -2.511 8.440 1.00 0.00 H new ATOM 331 N ASP A 23 -8.484 -0.678 5.797 1.00 0.00 N ATOM 332 CA ASP A 23 -9.811 -1.226 5.576 1.00 0.00 C ATOM 333 C ASP A 23 -9.809 -2.056 4.291 1.00 0.00 C ATOM 334 O ASP A 23 -10.301 -3.183 4.275 1.00 0.00 O ATOM 335 CB ASP A 23 -10.848 -0.112 5.418 1.00 0.00 C ATOM 336 CG ASP A 23 -11.989 -0.140 6.437 1.00 0.00 C ATOM 337 OD1 ASP A 23 -11.685 -0.399 7.621 1.00 0.00 O ATOM 338 OD2 ASP A 23 -13.139 0.097 6.008 1.00 0.00 O ATOM 0 H ASP A 23 -8.468 0.304 6.074 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.070 -1.840 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.340 0.850 5.491 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.274 -0.172 4.417 1.00 0.00 H new ATOM 343 N ASP A 24 -9.250 -1.466 3.244 1.00 0.00 N ATOM 344 CA ASP A 24 -9.177 -2.136 1.957 1.00 0.00 C ATOM 345 C ASP A 24 -8.528 -3.510 2.139 1.00 0.00 C ATOM 346 O ASP A 24 -9.086 -4.524 1.723 1.00 0.00 O ATOM 347 CB ASP A 24 -8.326 -1.338 0.968 1.00 0.00 C ATOM 348 CG ASP A 24 -8.951 -1.147 -0.415 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.989 -1.798 -0.664 1.00 0.00 O ATOM 350 OD2 ASP A 24 -8.377 -0.355 -1.193 1.00 0.00 O ATOM 0 H ASP A 24 -8.843 -0.531 3.261 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.191 -2.229 1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.122 -0.357 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.366 -1.840 0.850 1.00 0.00 H new ATOM 355 N PHE A 25 -7.358 -3.498 2.760 1.00 0.00 N ATOM 356 CA PHE A 25 -6.627 -4.731 3.002 1.00 0.00 C ATOM 357 C PHE A 25 -7.455 -5.703 3.844 1.00 0.00 C ATOM 358 O PHE A 25 -7.404 -6.914 3.631 1.00 0.00 O ATOM 359 CB PHE A 25 -5.361 -4.356 3.775 1.00 0.00 C ATOM 360 CG PHE A 25 -4.284 -3.686 2.919 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.957 -4.209 1.707 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.656 -2.567 3.369 1.00 0.00 C ATOM 363 CE1 PHE A 25 -2.958 -3.587 0.912 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.657 -1.945 2.574 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.329 -2.468 1.363 1.00 0.00 C ATOM 0 H PHE A 25 -6.898 -2.655 3.103 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.396 -5.219 2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.631 -3.686 4.591 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.944 -5.256 4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.457 -5.097 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.917 -2.151 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.698 -4.002 -0.050 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.158 -1.056 2.932 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.569 -1.995 0.759 1.00 0.00 H new ATOM 375 N LYS A 26 -8.199 -5.137 4.783 1.00 0.00 N ATOM 376 CA LYS A 26 -9.037 -5.939 5.658 1.00 0.00 C ATOM 377 C LYS A 26 -9.970 -6.806 4.810 1.00 0.00 C ATOM 378 O LYS A 26 -10.030 -8.021 4.992 1.00 0.00 O ATOM 379 CB LYS A 26 -9.770 -5.048 6.663 1.00 0.00 C ATOM 380 CG LYS A 26 -9.007 -4.971 7.987 1.00 0.00 C ATOM 381 CD LYS A 26 -7.543 -4.592 7.754 1.00 0.00 C ATOM 382 CE LYS A 26 -6.740 -4.684 9.054 1.00 0.00 C ATOM 383 NZ LYS A 26 -6.611 -6.094 9.485 1.00 0.00 N ATOM 0 H LYS A 26 -8.239 -4.133 4.957 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.426 -6.617 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.888 -4.047 6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.772 -5.440 6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.477 -4.236 8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.061 -5.932 8.498 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.107 -5.253 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.485 -3.579 7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.751 -4.250 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.232 -4.103 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.669 -6.246 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.340 -6.308 10.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.733 -6.721 8.664 1.00 0.00 H new ATOM 397 N THR A 27 -10.675 -6.148 3.903 1.00 0.00 N ATOM 398 CA THR A 27 -11.602 -6.843 3.026 1.00 0.00 C ATOM 399 C THR A 27 -10.844 -7.777 2.081 1.00 0.00 C ATOM 400 O THR A 27 -11.280 -8.899 1.829 1.00 0.00 O ATOM 401 CB THR A 27 -12.442 -5.792 2.297 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.774 -6.044 2.739 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.499 -6.033 0.787 1.00 0.00 C ATOM 0 H THR A 27 -10.623 -5.140 3.756 1.00 0.00 H new ATOM 0 HA THR A 27 -12.277 -7.484 3.593 1.00 0.00 H new ATOM 0 HB THR A 27 -12.032 -4.801 2.492 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.385 -5.405 2.316 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.107 -5.260 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.490 -6.001 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.940 -7.010 0.591 1.00 0.00 H new ATOM 411 N MET A 28 -9.722 -7.279 1.583 1.00 0.00 N ATOM 412 CA MET A 28 -8.899 -8.055 0.671 1.00 0.00 C ATOM 413 C MET A 28 -8.359 -9.313 1.355 1.00 0.00 C ATOM 414 O MET A 28 -8.444 -10.409 0.803 1.00 0.00 O ATOM 415 CB MET A 28 -7.730 -7.198 0.183 1.00 0.00 C ATOM 416 CG MET A 28 -8.210 -6.116 -0.787 1.00 0.00 C ATOM 417 SD MET A 28 -6.991 -5.855 -2.064 1.00 0.00 S ATOM 418 CE MET A 28 -5.528 -5.660 -1.061 1.00 0.00 C ATOM 0 H MET A 28 -9.363 -6.348 1.794 1.00 0.00 H new ATOM 0 HA MET A 28 -9.515 -8.360 -0.175 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.235 -6.733 1.035 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.991 -7.831 -0.309 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.159 -6.412 -1.234 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.388 -5.186 -0.248 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.225 -4.613 -1.059 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.742 -5.978 -0.040 1.00 0.00 H new ATOM 0 HE3 MET A 28 -4.723 -6.270 -1.470 1.00 0.00 H new ATOM 428 N PHE A 29 -7.815 -9.113 2.546 1.00 0.00 N ATOM 429 CA PHE A 29 -7.262 -10.217 3.311 1.00 0.00 C ATOM 430 C PHE A 29 -7.677 -10.129 4.781 1.00 0.00 C ATOM 431 O PHE A 29 -7.100 -9.360 5.548 1.00 0.00 O ATOM 432 CB PHE A 29 -5.738 -10.107 3.217 1.00 0.00 C ATOM 433 CG PHE A 29 -5.201 -10.125 1.785 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.374 -9.043 0.980 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.549 -11.224 1.317 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.874 -9.060 -0.349 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.050 -11.241 -0.012 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.223 -10.158 -0.817 1.00 0.00 C ATOM 0 H PHE A 29 -7.745 -8.202 3.000 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.628 -11.164 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.420 -9.184 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.289 -10.930 3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.892 -8.171 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.411 -12.083 1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.011 -8.200 -0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.533 -12.113 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.843 -10.170 -1.828 1.00 0.00 H new ATOM 448 N PRO A 30 -8.702 -10.949 5.139 1.00 0.00 N ATOM 449 CA PRO A 30 -9.202 -10.971 6.503 1.00 0.00 C ATOM 450 C PRO A 30 -8.238 -11.715 7.428 1.00 0.00 C ATOM 451 O PRO A 30 -8.069 -11.339 8.587 1.00 0.00 O ATOM 452 CB PRO A 30 -10.567 -11.632 6.411 1.00 0.00 C ATOM 453 CG PRO A 30 -10.583 -12.372 5.083 1.00 0.00 C ATOM 454 CD PRO A 30 -9.409 -11.873 4.257 1.00 0.00 C ATOM 0 HA PRO A 30 -9.286 -9.974 6.937 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.725 -12.319 7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.364 -10.890 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.507 -13.447 5.244 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.522 -12.194 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.765 -12.696 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.747 -11.373 3.349 1.00 0.00 H new ATOM 462 N ASN A 31 -7.631 -12.759 6.882 1.00 0.00 N ATOM 463 CA ASN A 31 -6.688 -13.560 7.644 1.00 0.00 C ATOM 464 C ASN A 31 -5.503 -12.686 8.059 1.00 0.00 C ATOM 465 O ASN A 31 -4.801 -13.001 9.019 1.00 0.00 O ATOM 466 CB ASN A 31 -6.149 -14.721 6.806 1.00 0.00 C ATOM 467 CG ASN A 31 -6.693 -16.059 7.310 1.00 0.00 C ATOM 468 OD1 ASN A 31 -7.082 -16.209 8.457 1.00 0.00 O ATOM 469 ND2 ASN A 31 -6.698 -17.021 6.392 1.00 0.00 N ATOM 0 H ASN A 31 -7.774 -13.069 5.921 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.208 -13.956 8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.428 -14.581 5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.060 -14.729 6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.042 -17.951 6.630 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.358 -16.829 5.450 1.00 0.00 H new ATOM 476 N MET A 32 -5.315 -11.606 7.316 1.00 0.00 N ATOM 477 CA MET A 32 -4.227 -10.684 7.595 1.00 0.00 C ATOM 478 C MET A 32 -4.504 -9.878 8.866 1.00 0.00 C ATOM 479 O MET A 32 -5.659 -9.667 9.232 1.00 0.00 O ATOM 480 CB MET A 32 -4.050 -9.730 6.413 1.00 0.00 C ATOM 481 CG MET A 32 -2.864 -10.150 5.541 1.00 0.00 C ATOM 482 SD MET A 32 -3.073 -11.838 5.000 1.00 0.00 S ATOM 483 CE MET A 32 -1.448 -12.153 4.333 1.00 0.00 C ATOM 0 H MET A 32 -5.898 -11.348 6.520 1.00 0.00 H new ATOM 0 HA MET A 32 -3.315 -11.262 7.746 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.960 -9.716 5.813 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.895 -8.716 6.780 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.785 -9.490 4.677 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.935 -10.052 6.103 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.245 -13.224 4.361 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.403 -11.802 3.302 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.702 -11.627 4.928 1.00 0.00 H new ATOM 493 N ASP A 33 -3.424 -9.450 9.503 1.00 0.00 N ATOM 494 CA ASP A 33 -3.536 -8.671 10.725 1.00 0.00 C ATOM 495 C ASP A 33 -3.066 -7.240 10.457 1.00 0.00 C ATOM 496 O ASP A 33 -2.241 -7.008 9.575 1.00 0.00 O ATOM 497 CB ASP A 33 -2.659 -9.257 11.833 1.00 0.00 C ATOM 498 CG ASP A 33 -3.424 -9.834 13.026 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.964 -9.017 13.803 1.00 0.00 O ATOM 500 OD2 ASP A 33 -3.452 -11.079 13.135 1.00 0.00 O ATOM 0 H ASP A 33 -2.468 -9.628 9.196 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.579 -8.689 11.043 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.036 -10.043 11.405 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.987 -8.478 12.194 1.00 0.00 H new ATOM 505 N TYR A 34 -3.612 -6.317 11.235 1.00 0.00 N ATOM 506 CA TYR A 34 -3.259 -4.914 11.093 1.00 0.00 C ATOM 507 C TYR A 34 -1.749 -4.713 11.229 1.00 0.00 C ATOM 508 O TYR A 34 -1.170 -3.862 10.555 1.00 0.00 O ATOM 509 CB TYR A 34 -3.964 -4.184 12.238 1.00 0.00 C ATOM 510 CG TYR A 34 -4.175 -2.690 11.987 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.120 -2.270 11.074 1.00 0.00 C ATOM 512 CD2 TYR A 34 -3.419 -1.762 12.674 1.00 0.00 C ATOM 513 CE1 TYR A 34 -5.318 -0.864 10.837 1.00 0.00 C ATOM 514 CE2 TYR A 34 -3.618 -0.355 12.438 1.00 0.00 C ATOM 515 CZ TYR A 34 -4.557 0.025 11.531 1.00 0.00 C ATOM 516 OH TYR A 34 -4.745 1.353 11.308 1.00 0.00 O ATOM 0 H TYR A 34 -4.296 -6.513 11.966 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.556 -4.540 10.113 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.932 -4.653 12.413 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.380 -4.310 13.150 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.712 -2.996 10.537 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.679 -2.091 13.388 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.054 -0.523 10.124 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.034 0.382 12.970 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.134 1.869 11.874 1.00 0.00 H new ATOM 526 N ASP A 35 -1.154 -5.510 12.104 1.00 0.00 N ATOM 527 CA ASP A 35 0.278 -5.429 12.336 1.00 0.00 C ATOM 528 C ASP A 35 1.020 -5.992 11.122 1.00 0.00 C ATOM 529 O ASP A 35 2.128 -5.557 10.810 1.00 0.00 O ATOM 530 CB ASP A 35 0.685 -6.252 13.560 1.00 0.00 C ATOM 531 CG ASP A 35 1.190 -5.433 14.750 1.00 0.00 C ATOM 532 OD1 ASP A 35 0.422 -4.558 15.204 1.00 0.00 O ATOM 533 OD2 ASP A 35 2.333 -5.702 15.179 1.00 0.00 O ATOM 0 H ASP A 35 -1.637 -6.215 12.661 1.00 0.00 H new ATOM 0 HA ASP A 35 0.533 -4.383 12.503 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.172 -6.844 13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.464 -6.954 13.264 1.00 0.00 H new ATOM 538 N ILE A 36 0.379 -6.950 10.468 1.00 0.00 N ATOM 539 CA ILE A 36 0.964 -7.576 9.295 1.00 0.00 C ATOM 540 C ILE A 36 0.760 -6.666 8.081 1.00 0.00 C ATOM 541 O ILE A 36 1.713 -6.350 7.371 1.00 0.00 O ATOM 542 CB ILE A 36 0.405 -8.987 9.106 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.624 -9.836 10.360 1.00 0.00 C ATOM 544 CG2 ILE A 36 0.993 -9.647 7.857 1.00 0.00 C ATOM 545 CD1 ILE A 36 1.977 -9.526 11.003 1.00 0.00 C ATOM 0 H ILE A 36 -0.540 -7.308 10.729 1.00 0.00 H new ATOM 0 HA ILE A 36 2.039 -7.699 9.425 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.671 -8.910 8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.175 -9.646 11.076 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.574 -10.894 10.101 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.579 -10.649 7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.743 -9.052 6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.077 -9.711 7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.107 -10.143 11.892 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.775 -9.740 10.292 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.014 -8.473 11.283 1.00 0.00 H new ATOM 557 N ILE A 37 -0.488 -6.270 7.882 1.00 0.00 N ATOM 558 CA ILE A 37 -0.829 -5.403 6.767 1.00 0.00 C ATOM 559 C ILE A 37 0.075 -4.169 6.791 1.00 0.00 C ATOM 560 O ILE A 37 0.663 -3.807 5.773 1.00 0.00 O ATOM 561 CB ILE A 37 -2.323 -5.071 6.784 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.167 -6.329 6.573 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.653 -3.980 5.763 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.460 -6.266 7.388 1.00 0.00 C ATOM 0 H ILE A 37 -1.276 -6.533 8.474 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.649 -5.912 5.820 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.575 -4.677 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.405 -6.438 5.515 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.593 -7.209 6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.721 -3.763 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.091 -3.077 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.382 -4.323 4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.041 -7.173 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.218 -6.182 8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.043 -5.399 7.079 1.00 0.00 H new ATOM 576 N GLU A 38 0.159 -3.558 7.963 1.00 0.00 N ATOM 577 CA GLU A 38 0.982 -2.373 8.133 1.00 0.00 C ATOM 578 C GLU A 38 2.463 -2.730 7.987 1.00 0.00 C ATOM 579 O GLU A 38 3.218 -2.006 7.340 1.00 0.00 O ATOM 580 CB GLU A 38 0.710 -1.705 9.482 1.00 0.00 C ATOM 581 CG GLU A 38 -0.687 -1.081 9.513 1.00 0.00 C ATOM 582 CD GLU A 38 -0.659 0.293 10.184 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.362 0.992 10.006 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.659 0.615 10.861 1.00 0.00 O ATOM 0 H GLU A 38 -0.330 -3.862 8.805 1.00 0.00 H new ATOM 0 HA GLU A 38 0.721 -1.659 7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.801 -2.441 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.460 -0.936 9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.069 -0.986 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.371 -1.738 10.050 1.00 0.00 H new ATOM 591 N CYS A 39 2.833 -3.846 8.598 1.00 0.00 N ATOM 592 CA CYS A 39 4.210 -4.307 8.544 1.00 0.00 C ATOM 593 C CYS A 39 4.694 -4.206 7.096 1.00 0.00 C ATOM 594 O CYS A 39 5.717 -3.582 6.823 1.00 0.00 O ATOM 595 CB CYS A 39 4.352 -5.727 9.096 1.00 0.00 C ATOM 596 SG CYS A 39 4.985 -5.672 10.812 1.00 0.00 S ATOM 0 H CYS A 39 2.203 -4.444 9.133 1.00 0.00 H new ATOM 0 HA CYS A 39 4.833 -3.677 9.179 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.387 -6.233 9.072 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.031 -6.304 8.468 1.00 0.00 H new ATOM 0 HG CYS A 39 3.986 -5.676 11.643 1.00 0.00 H new ATOM 602 N VAL A 40 3.935 -4.830 6.207 1.00 0.00 N ATOM 603 CA VAL A 40 4.274 -4.818 4.794 1.00 0.00 C ATOM 604 C VAL A 40 4.307 -3.372 4.294 1.00 0.00 C ATOM 605 O VAL A 40 5.267 -2.957 3.647 1.00 0.00 O ATOM 606 CB VAL A 40 3.295 -5.698 4.014 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.789 -5.932 2.585 1.00 0.00 C ATOM 608 CG2 VAL A 40 3.057 -7.025 4.736 1.00 0.00 C ATOM 0 H VAL A 40 3.087 -5.347 6.438 1.00 0.00 H new ATOM 0 HA VAL A 40 5.267 -5.239 4.636 1.00 0.00 H new ATOM 0 HB VAL A 40 2.342 -5.172 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.076 -6.560 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.884 -4.975 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.759 -6.428 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.358 -7.632 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.002 -7.559 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.641 -6.832 5.725 1.00 0.00 H new ATOM 618 N LEU A 41 3.246 -2.645 4.614 1.00 0.00 N ATOM 619 CA LEU A 41 3.142 -1.254 4.205 1.00 0.00 C ATOM 620 C LEU A 41 4.479 -0.553 4.451 1.00 0.00 C ATOM 621 O LEU A 41 5.047 0.046 3.539 1.00 0.00 O ATOM 622 CB LEU A 41 1.957 -0.580 4.899 1.00 0.00 C ATOM 623 CG LEU A 41 0.576 -0.883 4.314 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.528 -0.219 5.140 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.505 -0.483 2.838 1.00 0.00 C ATOM 0 H LEU A 41 2.452 -2.993 5.151 1.00 0.00 H new ATOM 0 HA LEU A 41 2.938 -1.185 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.959 -0.877 5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.112 0.499 4.873 1.00 0.00 H new ATOM 0 HG LEU A 41 0.414 -1.960 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.499 -0.450 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.492 -0.594 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.380 0.861 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.487 -0.709 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.699 0.585 2.741 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.253 -1.040 2.274 1.00 0.00 H new ATOM 637 N ARG A 42 4.943 -0.651 5.688 1.00 0.00 N ATOM 638 CA ARG A 42 6.203 -0.033 6.066 1.00 0.00 C ATOM 639 C ARG A 42 7.375 -0.801 5.452 1.00 0.00 C ATOM 640 O ARG A 42 8.296 -0.199 4.903 1.00 0.00 O ATOM 641 CB ARG A 42 6.365 0.002 7.587 1.00 0.00 C ATOM 642 CG ARG A 42 5.095 0.522 8.262 1.00 0.00 C ATOM 643 CD ARG A 42 5.433 1.529 9.364 1.00 0.00 C ATOM 644 NE ARG A 42 4.191 1.999 10.018 1.00 0.00 N ATOM 645 CZ ARG A 42 3.314 2.839 9.451 1.00 0.00 C ATOM 646 NH1 ARG A 42 3.538 3.306 8.215 1.00 0.00 N ATOM 647 NH2 ARG A 42 2.214 3.211 10.119 1.00 0.00 N ATOM 0 H ARG A 42 4.469 -1.149 6.442 1.00 0.00 H new ATOM 0 HA ARG A 42 6.197 0.990 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.593 -0.998 7.955 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.209 0.639 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.451 0.993 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.536 -0.312 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.090 1.067 10.101 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.974 2.376 8.941 1.00 0.00 H new ATOM 0 HE ARG A 42 3.990 1.662 10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.375 3.022 7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.871 3.945 7.783 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.044 2.855 11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.547 3.850 9.687 1.00 0.00 H new ATOM 661 N ALA A 43 7.303 -2.119 5.566 1.00 0.00 N ATOM 662 CA ALA A 43 8.347 -2.975 5.029 1.00 0.00 C ATOM 663 C ALA A 43 8.628 -2.580 3.578 1.00 0.00 C ATOM 664 O ALA A 43 9.785 -2.471 3.174 1.00 0.00 O ATOM 665 CB ALA A 43 7.925 -4.440 5.164 1.00 0.00 C ATOM 0 H ALA A 43 6.538 -2.615 6.023 1.00 0.00 H new ATOM 0 HA ALA A 43 9.273 -2.849 5.590 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.708 -5.083 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.766 -4.677 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.000 -4.605 4.611 1.00 0.00 H new ATOM 671 N ASN A 44 7.551 -2.376 2.834 1.00 0.00 N ATOM 672 CA ASN A 44 7.668 -1.995 1.437 1.00 0.00 C ATOM 673 C ASN A 44 7.891 -0.485 1.341 1.00 0.00 C ATOM 674 O ASN A 44 8.409 0.008 0.340 1.00 0.00 O ATOM 675 CB ASN A 44 6.391 -2.334 0.666 1.00 0.00 C ATOM 676 CG ASN A 44 6.339 -3.823 0.318 1.00 0.00 C ATOM 677 OD1 ASN A 44 6.058 -4.610 1.352 1.00 0.00 O flip ATOM 678 ND2 ASN A 44 6.540 -4.230 -0.815 1.00 0.00 N flip ATOM 0 H ASN A 44 6.593 -2.467 3.172 1.00 0.00 H new ATOM 0 HA ASN A 44 8.506 -2.543 1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.519 -2.066 1.263 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.346 -1.742 -0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.751 -3.570 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.497 -5.230 -1.013 1.00 0.00 H new ATOM 685 N SER A 45 7.490 0.209 2.397 1.00 0.00 N ATOM 686 CA SER A 45 7.641 1.653 2.444 1.00 0.00 C ATOM 687 C SER A 45 6.488 2.324 1.695 1.00 0.00 C ATOM 688 O SER A 45 6.636 2.710 0.537 1.00 0.00 O ATOM 689 CB SER A 45 8.983 2.087 1.851 1.00 0.00 C ATOM 690 OG SER A 45 9.648 3.039 2.677 1.00 0.00 O ATOM 0 H SER A 45 7.061 -0.202 3.226 1.00 0.00 H new ATOM 0 HA SER A 45 7.619 1.965 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.621 1.213 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.821 2.515 0.862 1.00 0.00 H new ATOM 0 HG SER A 45 10.501 3.290 2.265 1.00 0.00 H new ATOM 696 N GLY A 46 5.364 2.443 2.387 1.00 0.00 N ATOM 697 CA GLY A 46 4.186 3.061 1.802 1.00 0.00 C ATOM 698 C GLY A 46 4.049 2.689 0.324 1.00 0.00 C ATOM 699 O GLY A 46 4.483 3.437 -0.551 1.00 0.00 O ATOM 0 H GLY A 46 5.244 2.122 3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.296 2.742 2.345 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.251 4.144 1.904 1.00 0.00 H new ATOM 703 N ALA A 47 3.444 1.533 0.091 1.00 0.00 N ATOM 704 CA ALA A 47 3.244 1.053 -1.266 1.00 0.00 C ATOM 705 C ALA A 47 2.158 -0.024 -1.266 1.00 0.00 C ATOM 706 O ALA A 47 2.444 -1.199 -1.043 1.00 0.00 O ATOM 707 CB ALA A 47 4.573 0.542 -1.827 1.00 0.00 C ATOM 0 H ALA A 47 3.086 0.915 0.819 1.00 0.00 H new ATOM 0 HA ALA A 47 2.906 1.862 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.424 0.182 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.302 1.353 -1.832 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.942 -0.273 -1.204 1.00 0.00 H new ATOM 713 N VAL A 48 0.934 0.415 -1.520 1.00 0.00 N ATOM 714 CA VAL A 48 -0.197 -0.497 -1.552 1.00 0.00 C ATOM 715 C VAL A 48 0.003 -1.509 -2.682 1.00 0.00 C ATOM 716 O VAL A 48 0.061 -2.713 -2.438 1.00 0.00 O ATOM 717 CB VAL A 48 -1.502 0.292 -1.680 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.708 -0.648 -1.727 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.642 1.307 -0.544 1.00 0.00 C ATOM 0 H VAL A 48 0.701 1.390 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.262 -1.058 -0.620 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.470 0.843 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.623 -0.062 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.617 -1.314 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.745 -1.238 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.578 1.854 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.642 0.785 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.806 2.006 -0.576 1.00 0.00 H new ATOM 729 N ASP A 49 0.102 -0.984 -3.894 1.00 0.00 N ATOM 730 CA ASP A 49 0.293 -1.827 -5.062 1.00 0.00 C ATOM 731 C ASP A 49 1.267 -2.955 -4.717 1.00 0.00 C ATOM 732 O ASP A 49 1.103 -4.084 -5.177 1.00 0.00 O ATOM 733 CB ASP A 49 0.886 -1.029 -6.225 1.00 0.00 C ATOM 734 CG ASP A 49 0.017 0.125 -6.728 1.00 0.00 C ATOM 735 OD1 ASP A 49 0.029 1.179 -6.055 1.00 0.00 O ATOM 736 OD2 ASP A 49 -0.640 -0.072 -7.773 1.00 0.00 O ATOM 0 H ASP A 49 0.054 0.015 -4.093 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.679 -2.224 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.852 -0.629 -5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.074 -1.710 -7.055 1.00 0.00 H new ATOM 741 N ALA A 50 2.260 -2.611 -3.910 1.00 0.00 N ATOM 742 CA ALA A 50 3.260 -3.581 -3.497 1.00 0.00 C ATOM 743 C ALA A 50 2.719 -4.396 -2.321 1.00 0.00 C ATOM 744 O ALA A 50 2.685 -5.624 -2.376 1.00 0.00 O ATOM 745 CB ALA A 50 4.563 -2.856 -3.155 1.00 0.00 C ATOM 0 H ALA A 50 2.393 -1.673 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 50 3.477 -4.277 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.313 -3.583 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.921 -2.317 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.385 -2.150 -2.344 1.00 0.00 H new ATOM 751 N THR A 51 2.311 -3.679 -1.284 1.00 0.00 N ATOM 752 CA THR A 51 1.774 -4.320 -0.096 1.00 0.00 C ATOM 753 C THR A 51 0.741 -5.381 -0.483 1.00 0.00 C ATOM 754 O THR A 51 0.495 -6.319 0.274 1.00 0.00 O ATOM 755 CB THR A 51 1.211 -3.229 0.817 1.00 0.00 C ATOM 756 OG1 THR A 51 2.319 -2.363 1.046 1.00 0.00 O ATOM 757 CG2 THR A 51 0.856 -3.756 2.209 1.00 0.00 C ATOM 0 H THR A 51 2.342 -2.660 -1.242 1.00 0.00 H new ATOM 0 HA THR A 51 2.552 -4.853 0.451 1.00 0.00 H new ATOM 0 HB THR A 51 0.324 -2.793 0.357 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.317 -1.645 0.379 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.461 -2.942 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.104 -4.540 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.750 -4.162 2.683 1.00 0.00 H new ATOM 765 N ILE A 52 0.165 -5.197 -1.662 1.00 0.00 N ATOM 766 CA ILE A 52 -0.836 -6.127 -2.159 1.00 0.00 C ATOM 767 C ILE A 52 -0.147 -7.415 -2.614 1.00 0.00 C ATOM 768 O ILE A 52 -0.283 -8.455 -1.972 1.00 0.00 O ATOM 769 CB ILE A 52 -1.687 -5.467 -3.246 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.627 -4.420 -2.646 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.444 -6.517 -4.062 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.284 -3.579 -3.743 1.00 0.00 C ATOM 0 H ILE A 52 0.372 -4.418 -2.287 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.531 -6.400 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.020 -4.945 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.396 -4.914 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.070 -3.771 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.041 -6.022 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.732 -7.191 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.099 -7.087 -3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.947 -2.843 -3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.514 -3.067 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.860 -4.228 -4.403 1.00 0.00 H new ATOM 784 N ASP A 53 0.577 -7.303 -3.718 1.00 0.00 N ATOM 785 CA ASP A 53 1.287 -8.446 -4.266 1.00 0.00 C ATOM 786 C ASP A 53 1.906 -9.253 -3.123 1.00 0.00 C ATOM 787 O ASP A 53 1.859 -10.482 -3.130 1.00 0.00 O ATOM 788 CB ASP A 53 2.417 -7.998 -5.195 1.00 0.00 C ATOM 789 CG ASP A 53 2.810 -9.013 -6.271 1.00 0.00 C ATOM 790 OD1 ASP A 53 1.961 -9.262 -7.154 1.00 0.00 O ATOM 791 OD2 ASP A 53 3.951 -9.517 -6.186 1.00 0.00 O ATOM 0 H ASP A 53 0.687 -6.438 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 53 0.574 -9.048 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.119 -7.070 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.296 -7.773 -4.591 1.00 0.00 H new ATOM 796 N GLN A 54 2.472 -8.528 -2.169 1.00 0.00 N ATOM 797 CA GLN A 54 3.099 -9.161 -1.022 1.00 0.00 C ATOM 798 C GLN A 54 2.118 -10.117 -0.340 1.00 0.00 C ATOM 799 O GLN A 54 2.277 -11.334 -0.417 1.00 0.00 O ATOM 800 CB GLN A 54 3.621 -8.115 -0.035 1.00 0.00 C ATOM 801 CG GLN A 54 5.109 -8.324 0.251 1.00 0.00 C ATOM 802 CD GLN A 54 5.334 -9.578 1.097 1.00 0.00 C ATOM 803 OE1 GLN A 54 4.657 -10.583 0.956 1.00 0.00 O ATOM 804 NE2 GLN A 54 6.321 -9.464 1.982 1.00 0.00 N ATOM 0 H GLN A 54 2.509 -7.509 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 54 3.954 -9.739 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.462 -7.116 -0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.057 -8.175 0.896 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.655 -8.412 -0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.509 -7.454 0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.849 -8.594 2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.550 -10.247 2.594 1.00 0.00 H new ATOM 813 N LEU A 55 1.125 -9.529 0.312 1.00 0.00 N ATOM 814 CA LEU A 55 0.118 -10.313 1.007 1.00 0.00 C ATOM 815 C LEU A 55 -0.492 -11.326 0.036 1.00 0.00 C ATOM 816 O LEU A 55 -0.835 -12.440 0.430 1.00 0.00 O ATOM 817 CB LEU A 55 -0.912 -9.396 1.668 1.00 0.00 C ATOM 818 CG LEU A 55 -0.353 -8.326 2.607 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.414 -7.272 2.932 1.00 0.00 C ATOM 820 CD2 LEU A 55 0.233 -8.958 3.872 1.00 0.00 C ATOM 0 H LEU A 55 0.997 -8.519 0.373 1.00 0.00 H new ATOM 0 HA LEU A 55 0.570 -10.882 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.484 -8.900 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.612 -10.014 2.230 1.00 0.00 H new ATOM 0 HG LEU A 55 0.462 -7.815 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.990 -6.523 3.601 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.743 -6.791 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.266 -7.750 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.624 -8.175 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.546 -9.511 4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.039 -9.639 3.599 1.00 0.00 H new ATOM 832 N LEU A 56 -0.610 -10.903 -1.214 1.00 0.00 N ATOM 833 CA LEU A 56 -1.173 -11.760 -2.244 1.00 0.00 C ATOM 834 C LEU A 56 -0.531 -13.146 -2.156 1.00 0.00 C ATOM 835 O LEU A 56 -1.231 -14.152 -2.047 1.00 0.00 O ATOM 836 CB LEU A 56 -1.035 -11.105 -3.620 1.00 0.00 C ATOM 837 CG LEU A 56 -2.316 -10.513 -4.212 1.00 0.00 C ATOM 838 CD1 LEU A 56 -2.012 -9.693 -5.467 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.353 -11.606 -4.479 1.00 0.00 C ATOM 0 H LEU A 56 -0.325 -9.978 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.243 -11.893 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.290 -10.312 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.646 -11.847 -4.317 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.748 -9.832 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.939 -9.284 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.335 -8.877 -5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.545 -10.333 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.254 -11.158 -4.899 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.945 -12.330 -5.184 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.600 -12.109 -3.544 1.00 0.00 H new ATOM 851 N GLN A 57 0.792 -13.154 -2.205 1.00 0.00 N ATOM 852 CA GLN A 57 1.536 -14.400 -2.133 1.00 0.00 C ATOM 853 C GLN A 57 1.318 -15.070 -0.774 1.00 0.00 C ATOM 854 O GLN A 57 0.911 -16.228 -0.707 1.00 0.00 O ATOM 855 CB GLN A 57 3.025 -14.167 -2.396 1.00 0.00 C ATOM 856 CG GLN A 57 3.258 -13.676 -3.827 1.00 0.00 C ATOM 857 CD GLN A 57 4.504 -12.792 -3.907 1.00 0.00 C ATOM 858 OE1 GLN A 57 5.604 -13.190 -3.559 1.00 0.00 O ATOM 859 NE2 GLN A 57 4.272 -11.572 -4.383 1.00 0.00 N ATOM 0 H GLN A 57 1.369 -12.317 -2.294 1.00 0.00 H new ATOM 0 HA GLN A 57 1.164 -15.067 -2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.413 -13.434 -1.688 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.577 -15.093 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.370 -14.530 -4.495 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.388 -13.116 -4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.327 -11.302 -4.656 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.039 -10.906 -4.475 1.00 0.00 H new ATOM 868 N MET A 58 1.600 -14.312 0.275 1.00 0.00 N ATOM 869 CA MET A 58 1.440 -14.817 1.628 1.00 0.00 C ATOM 870 C MET A 58 0.193 -15.697 1.741 1.00 0.00 C ATOM 871 O MET A 58 0.195 -16.693 2.463 1.00 0.00 O ATOM 872 CB MET A 58 1.326 -13.643 2.602 1.00 0.00 C ATOM 873 CG MET A 58 2.710 -13.139 3.017 1.00 0.00 C ATOM 874 SD MET A 58 2.661 -12.535 4.696 1.00 0.00 S ATOM 875 CE MET A 58 3.287 -10.881 4.449 1.00 0.00 C ATOM 0 H MET A 58 1.938 -13.352 0.215 1.00 0.00 H new ATOM 0 HA MET A 58 2.313 -15.422 1.875 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.764 -12.833 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 58 0.767 -13.952 3.486 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.440 -13.944 2.933 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.033 -12.344 2.345 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.816 -10.203 5.161 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.366 -10.874 4.601 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.062 -10.555 3.434 1.00 0.00 H new ATOM 885 N ASN A 59 -0.842 -15.296 1.017 1.00 0.00 N ATOM 886 CA ASN A 59 -2.093 -16.036 1.026 1.00 0.00 C ATOM 887 C ASN A 59 -2.025 -17.159 -0.011 1.00 0.00 C ATOM 888 O ASN A 59 -2.459 -18.279 0.253 1.00 0.00 O ATOM 889 CB ASN A 59 -3.271 -15.129 0.665 1.00 0.00 C ATOM 890 CG ASN A 59 -4.552 -15.590 1.363 1.00 0.00 C ATOM 891 OD1 ASN A 59 -4.717 -16.747 1.712 1.00 0.00 O ATOM 892 ND2 ASN A 59 -5.446 -14.623 1.546 1.00 0.00 N ATOM 0 H ASN A 59 -0.840 -14.469 0.421 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.240 -16.437 2.029 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.045 -14.102 0.953 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.420 -15.132 -0.415 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.334 -14.829 2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.244 -13.675 1.229 1.00 0.00 H new ATOM 899 N LEU A 60 -1.476 -16.820 -1.168 1.00 0.00 N ATOM 900 CA LEU A 60 -1.345 -17.785 -2.246 1.00 0.00 C ATOM 901 C LEU A 60 -0.558 -18.998 -1.745 1.00 0.00 C ATOM 902 O LEU A 60 -1.008 -20.134 -1.883 1.00 0.00 O ATOM 903 CB LEU A 60 -0.737 -17.126 -3.485 1.00 0.00 C ATOM 904 CG LEU A 60 0.595 -17.704 -3.967 1.00 0.00 C ATOM 905 CD1 LEU A 60 0.440 -19.169 -4.380 1.00 0.00 C ATOM 906 CD2 LEU A 60 1.188 -16.851 -5.091 1.00 0.00 C ATOM 0 H LEU A 60 -1.117 -15.890 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.326 -18.146 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.457 -17.197 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.596 -16.066 -3.276 1.00 0.00 H new ATOM 0 HG LEU A 60 1.300 -17.677 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.401 -19.555 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.094 -19.753 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.286 -19.244 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.134 -17.284 -5.415 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.494 -16.824 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.358 -15.838 -4.728 1.00 0.00 H new ATOM 918 N GLU A 61 0.605 -18.715 -1.176 1.00 0.00 N ATOM 919 CA GLU A 61 1.459 -19.768 -0.654 1.00 0.00 C ATOM 920 C GLU A 61 1.078 -20.094 0.791 1.00 0.00 C ATOM 921 O GLU A 61 1.802 -19.745 1.722 1.00 0.00 O ATOM 922 CB GLU A 61 2.935 -19.378 -0.757 1.00 0.00 C ATOM 923 CG GLU A 61 3.600 -20.059 -1.955 1.00 0.00 C ATOM 924 CD GLU A 61 5.001 -20.556 -1.595 1.00 0.00 C ATOM 925 OE1 GLU A 61 5.874 -19.686 -1.382 1.00 0.00 O ATOM 926 OE2 GLU A 61 5.169 -21.793 -1.542 1.00 0.00 O ATOM 0 H GLU A 61 0.976 -17.771 -1.065 1.00 0.00 H new ATOM 0 HA GLU A 61 1.310 -20.663 -1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.023 -18.296 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.454 -19.659 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.987 -20.897 -2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.662 -19.359 -2.788 1.00 0.00 H new ATOM 933 N SER A 62 -0.059 -20.759 0.934 1.00 0.00 N ATOM 934 CA SER A 62 -0.546 -21.136 2.250 1.00 0.00 C ATOM 935 C SER A 62 -1.821 -21.970 2.117 1.00 0.00 C ATOM 936 O SER A 62 -1.863 -23.120 2.551 1.00 0.00 O ATOM 937 CB SER A 62 -0.806 -19.901 3.115 1.00 0.00 C ATOM 938 OG SER A 62 -0.570 -20.158 4.497 1.00 0.00 O ATOM 0 H SER A 62 -0.657 -21.047 0.160 1.00 0.00 H new ATOM 0 HA SER A 62 0.222 -21.735 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.165 -19.084 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.836 -19.573 2.978 1.00 0.00 H new ATOM 0 HG SER A 62 -0.745 -19.345 5.015 1.00 0.00 H new ATOM 944 N GLY A 63 -2.831 -21.358 1.516 1.00 0.00 N ATOM 945 CA GLY A 63 -4.104 -22.030 1.321 1.00 0.00 C ATOM 946 C GLY A 63 -4.767 -21.580 0.017 1.00 0.00 C ATOM 947 O GLY A 63 -4.317 -20.626 -0.615 1.00 0.00 O ATOM 0 H GLY A 63 -2.793 -20.404 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.951 -23.109 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.764 -21.817 2.162 1.00 0.00 H new ATOM 951 N PRO A 64 -5.854 -22.308 -0.356 1.00 0.00 N ATOM 952 CA PRO A 64 -6.583 -21.994 -1.573 1.00 0.00 C ATOM 953 C PRO A 64 -7.442 -20.741 -1.390 1.00 0.00 C ATOM 954 O PRO A 64 -7.500 -19.889 -2.275 1.00 0.00 O ATOM 955 CB PRO A 64 -7.404 -23.238 -1.871 1.00 0.00 C ATOM 956 CG PRO A 64 -7.462 -24.022 -0.570 1.00 0.00 C ATOM 957 CD PRO A 64 -6.415 -23.445 0.369 1.00 0.00 C ATOM 0 HA PRO A 64 -5.924 -21.757 -2.409 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.405 -22.973 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.944 -23.829 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.455 -23.951 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.270 -25.079 -0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.860 -23.132 1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -5.647 -24.181 0.607 1.00 0.00 H new ATOM 965 N SER A 65 -8.088 -20.669 -0.235 1.00 0.00 N ATOM 966 CA SER A 65 -8.941 -19.534 0.076 1.00 0.00 C ATOM 967 C SER A 65 -10.100 -19.463 -0.921 1.00 0.00 C ATOM 968 O SER A 65 -10.012 -20.008 -2.020 1.00 0.00 O ATOM 969 CB SER A 65 -8.146 -18.227 0.060 1.00 0.00 C ATOM 970 OG SER A 65 -8.729 -17.238 0.905 1.00 0.00 O ATOM 0 H SER A 65 -8.038 -21.378 0.497 1.00 0.00 H new ATOM 0 HA SER A 65 -9.341 -19.671 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.123 -18.421 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.093 -17.847 -0.960 1.00 0.00 H new ATOM 0 HG SER A 65 -8.192 -16.419 0.869 1.00 0.00 H new ATOM 976 N SER A 66 -11.158 -18.786 -0.501 1.00 0.00 N ATOM 977 CA SER A 66 -12.333 -18.636 -1.343 1.00 0.00 C ATOM 978 C SER A 66 -12.680 -17.154 -1.497 1.00 0.00 C ATOM 979 O SER A 66 -12.654 -16.402 -0.524 1.00 0.00 O ATOM 980 CB SER A 66 -13.525 -19.403 -0.767 1.00 0.00 C ATOM 981 OG SER A 66 -14.640 -19.401 -1.654 1.00 0.00 O ATOM 0 H SER A 66 -11.227 -18.335 0.411 1.00 0.00 H new ATOM 0 HA SER A 66 -12.107 -19.054 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.229 -20.431 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.817 -18.958 0.184 1.00 0.00 H new ATOM 0 HG SER A 66 -15.380 -19.902 -1.251 1.00 0.00 H new ATOM 987 N GLY A 67 -12.998 -16.779 -2.728 1.00 0.00 N ATOM 988 CA GLY A 67 -13.350 -15.400 -3.022 1.00 0.00 C ATOM 989 C GLY A 67 -12.492 -14.846 -4.161 1.00 0.00 C ATOM 990 O GLY A 67 -11.665 -15.562 -4.725 1.00 0.00 O ATOM 0 H GLY A 67 -13.019 -17.406 -3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.404 -15.340 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.215 -14.788 -2.130 1.00 0.00 H new TER 994 GLY A 67