USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 934 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 54 GLN : amide:sc= -4.82! C(o=-3.9!,f=-14!) USER MOD Set 1.2: A 88 TYR OH : rot 119:sc= 0.876 USER MOD Set 2.1: A 52 TYR OH : rot 131:sc= 0.392 USER MOD Set 2.2: A 65 GLN : amide:sc= -3.9! C(o=-3.5!,f=-3.1!) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 31 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -6:sc= 1.03 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0367 K(o=-0.037,f=-0.7) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.0223 (180deg=-0.199) USER MOD Single : A 22 HIS : no HE2:sc= -0.767 K(o=-0.77,f=-0.08) USER MOD Single : A 23 ASN : amide:sc= -0.172 K(o=-0.17,f=-1.7) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.231 K(o=-0.23,f=-4.9!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 46 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.36) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -110:sc= -0.585 (180deg=-1.92) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.7!) USER MOD Single : A 61 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -32:sc= 0.655 USER MOD Single : A 66 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 76 SER OG : rot 24:sc= 0.414 USER MOD Single : A 81 ASN : amide:sc= -2.7 K(o=-2.7,f=-1.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -2.25 K(o=-2.2,f=-3.2!) USER MOD Single : A 100 GLN : amide:sc= -1.63! C(o=-1.6!,f=-5.4!) USER MOD Single : A 102 MET CE :methyl 167:sc= 0 (180deg=-0.25) USER MOD Single : A 104 SER OG : rot -29:sc= -2.4! USER MOD Single : A 106 SER OG : rot 33:sc= 0.14 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 111 THR OG1 : rot 172:sc= 0.934 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 115 SER OG : rot 180:sc= -0.231 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 19:sc= 0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.294 18.990 16.109 1.00 0.00 N ATOM 2 CA GLY A 1 -34.751 18.697 17.423 1.00 0.00 C ATOM 3 C GLY A 1 -33.583 17.732 17.365 1.00 0.00 C ATOM 4 O GLY A 1 -33.727 16.553 17.687 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.089 19.653 16.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.555 19.417 15.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.627 18.110 15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.429 19.625 17.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.536 18.276 18.051 1.00 0.00 H new ATOM 8 N SER A 2 -32.423 18.234 16.952 1.00 0.00 N ATOM 9 CA SER A 2 -31.227 17.407 16.848 1.00 0.00 C ATOM 10 C SER A 2 -30.504 17.324 18.189 1.00 0.00 C ATOM 11 O SER A 2 -29.684 18.180 18.518 1.00 0.00 O ATOM 12 CB SER A 2 -30.284 17.969 15.782 1.00 0.00 C ATOM 13 OG SER A 2 -29.052 17.269 15.771 1.00 0.00 O ATOM 0 H SER A 2 -32.287 19.209 16.684 1.00 0.00 H new ATOM 0 HA SER A 2 -31.535 16.402 16.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.755 17.898 14.802 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.103 19.027 15.973 1.00 0.00 H new ATOM 0 HG SER A 2 -28.468 17.646 15.080 1.00 0.00 H new ATOM 19 N SER A 3 -30.817 16.287 18.959 1.00 0.00 N ATOM 20 CA SER A 3 -30.202 16.093 20.267 1.00 0.00 C ATOM 21 C SER A 3 -28.680 16.141 20.164 1.00 0.00 C ATOM 22 O SER A 3 -28.028 16.958 20.813 1.00 0.00 O ATOM 23 CB SER A 3 -30.641 14.756 20.868 1.00 0.00 C ATOM 24 OG SER A 3 -31.944 14.848 21.417 1.00 0.00 O ATOM 0 H SER A 3 -31.493 15.568 18.700 1.00 0.00 H new ATOM 0 HA SER A 3 -30.531 16.902 20.919 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.620 13.984 20.099 1.00 0.00 H new ATOM 0 HB3 SER A 3 -29.937 14.453 21.643 1.00 0.00 H new ATOM 0 HG SER A 3 -32.202 13.981 21.793 1.00 0.00 H new ATOM 30 N GLY A 4 -28.120 15.259 19.342 1.00 0.00 N ATOM 31 CA GLY A 4 -26.680 15.217 19.168 1.00 0.00 C ATOM 32 C GLY A 4 -26.255 14.245 18.085 1.00 0.00 C ATOM 33 O GLY A 4 -26.821 13.160 17.958 1.00 0.00 O ATOM 0 H GLY A 4 -28.638 14.573 18.793 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.318 16.215 18.919 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -26.211 14.934 20.110 1.00 0.00 H new ATOM 37 N SER A 5 -25.256 14.637 17.300 1.00 0.00 N ATOM 38 CA SER A 5 -24.759 13.795 16.218 1.00 0.00 C ATOM 39 C SER A 5 -23.384 14.263 15.753 1.00 0.00 C ATOM 40 O SER A 5 -22.923 15.341 16.129 1.00 0.00 O ATOM 41 CB SER A 5 -25.739 13.807 15.043 1.00 0.00 C ATOM 42 OG SER A 5 -26.954 13.163 15.386 1.00 0.00 O ATOM 0 H SER A 5 -24.775 15.532 17.393 1.00 0.00 H new ATOM 0 HA SER A 5 -24.668 12.777 16.596 1.00 0.00 H new ATOM 0 HB2 SER A 5 -25.941 14.836 14.744 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.289 13.308 14.185 1.00 0.00 H new ATOM 0 HG SER A 5 -26.869 12.756 16.274 1.00 0.00 H new ATOM 48 N SER A 6 -22.733 13.445 14.933 1.00 0.00 N ATOM 49 CA SER A 6 -21.408 13.772 14.418 1.00 0.00 C ATOM 50 C SER A 6 -21.234 13.251 12.995 1.00 0.00 C ATOM 51 O SER A 6 -21.778 12.208 12.633 1.00 0.00 O ATOM 52 CB SER A 6 -20.326 13.184 15.325 1.00 0.00 C ATOM 53 OG SER A 6 -20.342 13.797 16.602 1.00 0.00 O ATOM 0 H SER A 6 -23.101 12.550 14.610 1.00 0.00 H new ATOM 0 HA SER A 6 -21.309 14.857 14.403 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.481 12.110 15.432 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.347 13.321 14.865 1.00 0.00 H new ATOM 0 HG SER A 6 -19.642 13.402 17.163 1.00 0.00 H new ATOM 59 N GLY A 7 -20.472 13.986 12.191 1.00 0.00 N ATOM 60 CA GLY A 7 -20.239 13.584 10.816 1.00 0.00 C ATOM 61 C GLY A 7 -21.489 13.679 9.965 1.00 0.00 C ATOM 62 O GLY A 7 -22.167 12.678 9.732 1.00 0.00 O ATOM 0 H GLY A 7 -20.012 14.853 12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.460 14.213 10.384 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.868 12.559 10.798 1.00 0.00 H new ATOM 66 N ARG A 8 -21.796 14.885 9.500 1.00 0.00 N ATOM 67 CA ARG A 8 -22.975 15.108 8.672 1.00 0.00 C ATOM 68 C ARG A 8 -22.705 14.708 7.224 1.00 0.00 C ATOM 69 O ARG A 8 -23.443 13.913 6.642 1.00 0.00 O ATOM 70 CB ARG A 8 -23.400 16.576 8.736 1.00 0.00 C ATOM 71 CG ARG A 8 -23.976 16.985 10.082 1.00 0.00 C ATOM 72 CD ARG A 8 -24.563 18.387 10.034 1.00 0.00 C ATOM 73 NE ARG A 8 -24.982 18.850 11.354 1.00 0.00 N ATOM 74 CZ ARG A 8 -25.549 20.031 11.573 1.00 0.00 C ATOM 75 NH1 ARG A 8 -25.762 20.865 10.564 1.00 0.00 N ATOM 76 NH2 ARG A 8 -25.903 20.381 12.803 1.00 0.00 N ATOM 0 H ARG A 8 -21.244 15.723 9.683 1.00 0.00 H new ATOM 0 HA ARG A 8 -23.783 14.486 9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -22.538 17.205 8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.142 16.765 7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -24.749 16.276 10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -23.195 16.942 10.841 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.823 19.076 9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -25.417 18.399 9.357 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.831 18.233 12.152 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.490 20.600 9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.198 21.771 10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -25.740 19.743 13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.338 21.288 12.970 1.00 0.00 H new ATOM 90 N GLN A 9 -21.645 15.266 6.649 1.00 0.00 N ATOM 91 CA GLN A 9 -21.280 14.969 5.269 1.00 0.00 C ATOM 92 C GLN A 9 -20.454 13.689 5.188 1.00 0.00 C ATOM 93 O GLN A 9 -19.818 13.411 4.171 1.00 0.00 O ATOM 94 CB GLN A 9 -20.496 16.135 4.664 1.00 0.00 C ATOM 95 CG GLN A 9 -20.386 16.073 3.149 1.00 0.00 C ATOM 96 CD GLN A 9 -19.939 17.389 2.543 1.00 0.00 C ATOM 97 OE1 GLN A 9 -20.357 18.461 2.980 1.00 0.00 O ATOM 98 NE2 GLN A 9 -19.085 17.313 1.529 1.00 0.00 N ATOM 0 H GLN A 9 -21.024 15.926 7.117 1.00 0.00 H new ATOM 0 HA GLN A 9 -22.198 14.824 4.700 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.977 17.071 4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.494 16.149 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -19.680 15.291 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -21.352 15.793 2.729 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.765 16.403 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -18.749 18.165 1.080 1.00 0.00 H new ATOM 107 N VAL A 10 -20.467 12.913 6.267 1.00 0.00 N ATOM 108 CA VAL A 10 -19.720 11.662 6.318 1.00 0.00 C ATOM 109 C VAL A 10 -20.311 10.630 5.364 1.00 0.00 C ATOM 110 O VAL A 10 -19.584 9.971 4.621 1.00 0.00 O ATOM 111 CB VAL A 10 -19.702 11.077 7.743 1.00 0.00 C ATOM 112 CG1 VAL A 10 -21.098 10.635 8.157 1.00 0.00 C ATOM 113 CG2 VAL A 10 -18.720 9.919 7.831 1.00 0.00 C ATOM 0 H VAL A 10 -20.987 13.129 7.118 1.00 0.00 H new ATOM 0 HA VAL A 10 -18.698 11.890 6.014 1.00 0.00 H new ATOM 0 HB VAL A 10 -19.374 11.855 8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -21.065 10.225 9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -21.772 11.491 8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -21.458 9.872 7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -18.720 9.518 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.016 9.137 7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.719 10.271 7.580 1.00 0.00 H new ATOM 123 N GLN A 11 -21.633 10.495 5.391 1.00 0.00 N ATOM 124 CA GLN A 11 -22.321 9.542 4.528 1.00 0.00 C ATOM 125 C GLN A 11 -22.442 10.084 3.107 1.00 0.00 C ATOM 126 O GLN A 11 -23.005 9.431 2.228 1.00 0.00 O ATOM 127 CB GLN A 11 -23.709 9.227 5.086 1.00 0.00 C ATOM 128 CG GLN A 11 -23.689 8.251 6.252 1.00 0.00 C ATOM 129 CD GLN A 11 -25.077 7.930 6.768 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.860 7.253 6.099 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.392 8.413 7.964 1.00 0.00 N ATOM 0 H GLN A 11 -22.249 11.033 6.001 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.732 8.625 4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.181 10.155 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.327 8.815 4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -23.199 7.329 5.940 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.092 8.671 7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.713 8.969 8.484 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.313 8.228 8.362 1.00 0.00 H new ATOM 140 N LYS A 12 -21.910 11.282 2.889 1.00 0.00 N ATOM 141 CA LYS A 12 -21.958 11.912 1.575 1.00 0.00 C ATOM 142 C LYS A 12 -20.578 11.917 0.924 1.00 0.00 C ATOM 143 O LYS A 12 -20.441 11.620 -0.262 1.00 0.00 O ATOM 144 CB LYS A 12 -22.482 13.345 1.693 1.00 0.00 C ATOM 145 CG LYS A 12 -22.633 14.050 0.355 1.00 0.00 C ATOM 146 CD LYS A 12 -24.013 13.829 -0.239 1.00 0.00 C ATOM 147 CE LYS A 12 -24.991 14.906 0.206 1.00 0.00 C ATOM 148 NZ LYS A 12 -24.696 16.219 -0.432 1.00 0.00 N ATOM 0 H LYS A 12 -21.441 11.836 3.605 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.636 11.334 0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.448 13.329 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.803 13.920 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.458 15.118 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.875 13.684 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -23.945 13.825 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.387 12.850 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -26.007 14.600 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -24.948 15.011 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -25.541 16.824 -0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -23.912 16.681 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -24.429 16.070 -1.426 1.00 0.00 H new ATOM 162 N GLU A 13 -19.559 12.254 1.708 1.00 0.00 N ATOM 163 CA GLU A 13 -18.191 12.296 1.206 1.00 0.00 C ATOM 164 C GLU A 13 -17.552 10.911 1.252 1.00 0.00 C ATOM 165 O GLU A 13 -16.914 10.477 0.292 1.00 0.00 O ATOM 166 CB GLU A 13 -17.354 13.283 2.023 1.00 0.00 C ATOM 167 CG GLU A 13 -15.857 13.053 1.908 1.00 0.00 C ATOM 168 CD GLU A 13 -15.354 13.186 0.484 1.00 0.00 C ATOM 169 OE1 GLU A 13 -16.191 13.200 -0.442 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.123 13.275 0.296 1.00 0.00 O ATOM 0 H GLU A 13 -19.655 12.502 2.693 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.222 12.629 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.583 14.297 1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.644 13.212 3.071 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.334 13.768 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.616 12.058 2.283 1.00 0.00 H new ATOM 177 N LEU A 14 -17.727 10.223 2.375 1.00 0.00 N ATOM 178 CA LEU A 14 -17.168 8.886 2.548 1.00 0.00 C ATOM 179 C LEU A 14 -17.155 8.126 1.225 1.00 0.00 C ATOM 180 O LEU A 14 -16.100 7.921 0.626 1.00 0.00 O ATOM 181 CB LEU A 14 -17.971 8.107 3.590 1.00 0.00 C ATOM 182 CG LEU A 14 -17.664 6.612 3.694 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.521 6.369 4.667 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.904 5.841 4.121 1.00 0.00 C ATOM 0 H LEU A 14 -18.251 10.568 3.179 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.140 8.991 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.799 8.561 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.031 8.225 3.365 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.359 6.254 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.316 5.300 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.629 6.890 4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.797 6.743 5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.667 4.779 4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.240 6.201 5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.695 5.989 3.386 1.00 0.00 H new ATOM 196 N GLY A 15 -18.335 7.712 0.775 1.00 0.00 N ATOM 197 CA GLY A 15 -18.437 6.981 -0.474 1.00 0.00 C ATOM 198 C GLY A 15 -17.775 7.708 -1.627 1.00 0.00 C ATOM 199 O GLY A 15 -17.023 7.110 -2.398 1.00 0.00 O ATOM 0 H GLY A 15 -19.222 7.870 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.978 6.000 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.488 6.815 -0.709 1.00 0.00 H new ATOM 203 N ASP A 16 -18.054 9.001 -1.748 1.00 0.00 N ATOM 204 CA ASP A 16 -17.480 9.811 -2.816 1.00 0.00 C ATOM 205 C ASP A 16 -15.977 9.577 -2.928 1.00 0.00 C ATOM 206 O ASP A 16 -15.467 9.249 -3.999 1.00 0.00 O ATOM 207 CB ASP A 16 -17.761 11.294 -2.568 1.00 0.00 C ATOM 208 CG ASP A 16 -19.173 11.688 -2.955 1.00 0.00 C ATOM 209 OD1 ASP A 16 -20.051 10.800 -2.984 1.00 0.00 O ATOM 210 OD2 ASP A 16 -19.401 12.885 -3.227 1.00 0.00 O ATOM 0 H ASP A 16 -18.675 9.511 -1.119 1.00 0.00 H new ATOM 0 HA ASP A 16 -17.947 9.513 -3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -17.600 11.520 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.051 11.895 -3.135 1.00 0.00 H new ATOM 215 N VAL A 17 -15.272 9.749 -1.814 1.00 0.00 N ATOM 216 CA VAL A 17 -13.827 9.556 -1.786 1.00 0.00 C ATOM 217 C VAL A 17 -13.402 8.446 -2.740 1.00 0.00 C ATOM 218 O VAL A 17 -13.784 7.287 -2.570 1.00 0.00 O ATOM 219 CB VAL A 17 -13.333 9.216 -0.367 1.00 0.00 C ATOM 220 CG1 VAL A 17 -11.836 8.948 -0.373 1.00 0.00 C ATOM 221 CG2 VAL A 17 -13.679 10.339 0.600 1.00 0.00 C ATOM 0 H VAL A 17 -15.678 10.022 -0.919 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.376 10.496 -2.104 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.838 8.310 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.505 8.710 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.619 8.108 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.309 9.834 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.323 10.083 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -13.202 11.262 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -14.760 10.478 0.625 1.00 0.00 H new ATOM 231 N LEU A 18 -12.610 8.806 -3.743 1.00 0.00 N ATOM 232 CA LEU A 18 -12.131 7.840 -4.726 1.00 0.00 C ATOM 233 C LEU A 18 -10.661 7.509 -4.492 1.00 0.00 C ATOM 234 O LEU A 18 -9.772 8.188 -5.006 1.00 0.00 O ATOM 235 CB LEU A 18 -12.325 8.384 -6.142 1.00 0.00 C ATOM 236 CG LEU A 18 -12.520 7.340 -7.242 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.168 7.969 -8.466 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.191 6.698 -7.610 1.00 0.00 C ATOM 0 H LEU A 18 -12.285 9.761 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.712 6.925 -4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.191 9.046 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.458 8.994 -6.397 1.00 0.00 H new ATOM 0 HG LEU A 18 -13.184 6.562 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.299 7.211 -9.238 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.140 8.380 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.530 8.767 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.349 5.958 -8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.503 7.464 -7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.767 6.211 -6.732 1.00 0.00 H new ATOM 250 N VAL A 19 -10.412 6.459 -3.715 1.00 0.00 N ATOM 251 CA VAL A 19 -9.049 6.035 -3.416 1.00 0.00 C ATOM 252 C VAL A 19 -8.407 5.358 -4.622 1.00 0.00 C ATOM 253 O VAL A 19 -8.914 4.356 -5.127 1.00 0.00 O ATOM 254 CB VAL A 19 -9.012 5.068 -2.218 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.581 4.847 -1.754 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.875 5.596 -1.082 1.00 0.00 C ATOM 0 H VAL A 19 -11.136 5.887 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.486 6.934 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.417 4.107 -2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.575 4.161 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.996 4.422 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.145 5.799 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.838 4.901 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.502 6.569 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.905 5.697 -1.424 1.00 0.00 H new ATOM 266 N ARG A 20 -7.289 5.912 -5.079 1.00 0.00 N ATOM 267 CA ARG A 20 -6.578 5.363 -6.227 1.00 0.00 C ATOM 268 C ARG A 20 -5.388 4.519 -5.776 1.00 0.00 C ATOM 269 O ARG A 20 -4.350 5.052 -5.383 1.00 0.00 O ATOM 270 CB ARG A 20 -6.099 6.489 -7.145 1.00 0.00 C ATOM 271 CG ARG A 20 -5.543 5.998 -8.472 1.00 0.00 C ATOM 272 CD ARG A 20 -5.196 7.157 -9.393 1.00 0.00 C ATOM 273 NE ARG A 20 -5.078 6.733 -10.785 1.00 0.00 N ATOM 274 CZ ARG A 20 -4.054 6.031 -11.256 1.00 0.00 C ATOM 275 NH1 ARG A 20 -3.064 5.675 -10.448 1.00 0.00 N ATOM 276 NH2 ARG A 20 -4.018 5.682 -12.535 1.00 0.00 N ATOM 0 H ARG A 20 -6.856 6.741 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.268 4.724 -6.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.930 7.168 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.330 7.065 -6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.653 5.394 -8.294 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.274 5.352 -8.958 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.964 7.927 -9.312 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.257 7.608 -9.071 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.824 6.990 -11.432 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.089 5.940 -9.463 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.278 5.136 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.778 5.953 -13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.230 5.143 -12.895 1.00 0.00 H new ATOM 290 N LEU A 21 -5.547 3.202 -5.835 1.00 0.00 N ATOM 291 CA LEU A 21 -4.487 2.284 -5.433 1.00 0.00 C ATOM 292 C LEU A 21 -3.525 2.023 -6.588 1.00 0.00 C ATOM 293 O LEU A 21 -3.892 1.403 -7.587 1.00 0.00 O ATOM 294 CB LEU A 21 -5.086 0.964 -4.945 1.00 0.00 C ATOM 295 CG LEU A 21 -4.247 0.178 -3.938 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.944 1.029 -2.715 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.960 -1.104 -3.534 1.00 0.00 C ATOM 0 H LEU A 21 -6.400 2.745 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.930 2.746 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.056 1.173 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.267 0.328 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.303 -0.089 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.346 0.452 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.391 1.918 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.878 1.328 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.348 -1.650 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.920 -0.859 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.124 -1.723 -4.416 1.00 0.00 H new ATOM 309 N HIS A 22 -2.293 2.499 -6.443 1.00 0.00 N ATOM 310 CA HIS A 22 -1.276 2.315 -7.474 1.00 0.00 C ATOM 311 C HIS A 22 -0.871 0.848 -7.580 1.00 0.00 C ATOM 312 O HIS A 22 -1.243 0.158 -8.529 1.00 0.00 O ATOM 313 CB HIS A 22 -0.049 3.175 -7.169 1.00 0.00 C ATOM 314 CG HIS A 22 -0.354 4.637 -7.062 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.251 5.592 -7.852 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.208 5.307 -6.252 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.216 6.785 -7.532 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.103 6.640 -6.564 1.00 0.00 N ATOM 0 H HIS A 22 -1.974 3.015 -5.623 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.700 2.627 -8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.399 2.836 -6.235 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.694 3.024 -7.952 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.950 5.406 -8.571 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.852 4.874 -5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.077 7.721 -7.985 1.00 0.00 H new ATOM 327 N ASN A 23 -0.105 0.378 -6.601 1.00 0.00 N ATOM 328 CA ASN A 23 0.353 -1.007 -6.586 1.00 0.00 C ATOM 329 C ASN A 23 1.109 -1.316 -5.297 1.00 0.00 C ATOM 330 O ASN A 23 1.897 -0.509 -4.802 1.00 0.00 O ATOM 331 CB ASN A 23 1.249 -1.283 -7.795 1.00 0.00 C ATOM 332 CG ASN A 23 2.577 -0.557 -7.708 1.00 0.00 C ATOM 333 OD1 ASN A 23 3.479 -0.974 -6.983 1.00 0.00 O ATOM 334 ND2 ASN A 23 2.702 0.538 -8.450 1.00 0.00 N ATOM 0 H ASN A 23 0.212 0.936 -5.808 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.523 -1.654 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.429 -2.355 -7.873 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.731 -0.979 -8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.573 1.069 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.927 0.847 -9.037 1.00 0.00 H new ATOM 341 N PRO A 24 0.865 -2.511 -4.740 1.00 0.00 N ATOM 342 CA PRO A 24 1.514 -2.955 -3.503 1.00 0.00 C ATOM 343 C PRO A 24 3.000 -3.239 -3.697 1.00 0.00 C ATOM 344 O PRO A 24 3.409 -4.391 -3.844 1.00 0.00 O ATOM 345 CB PRO A 24 0.765 -4.243 -3.152 1.00 0.00 C ATOM 346 CG PRO A 24 0.243 -4.744 -4.454 1.00 0.00 C ATOM 347 CD PRO A 24 -0.062 -3.522 -5.276 1.00 0.00 C ATOM 0 HA PRO A 24 1.470 -2.194 -2.724 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.428 -4.971 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.045 -4.051 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.978 -5.376 -4.952 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.651 -5.350 -4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.107 -3.700 -6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.101 -3.213 -5.166 1.00 0.00 H new ATOM 355 N VAL A 25 3.805 -2.181 -3.696 1.00 0.00 N ATOM 356 CA VAL A 25 5.246 -2.316 -3.870 1.00 0.00 C ATOM 357 C VAL A 25 5.812 -3.391 -2.949 1.00 0.00 C ATOM 358 O VAL A 25 5.919 -3.194 -1.739 1.00 0.00 O ATOM 359 CB VAL A 25 5.972 -0.986 -3.596 1.00 0.00 C ATOM 360 CG1 VAL A 25 7.474 -1.152 -3.766 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.442 0.109 -4.510 1.00 0.00 C ATOM 0 H VAL A 25 3.483 -1.221 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 25 5.414 -2.605 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 25 5.777 -0.693 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.970 -0.202 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.838 -1.904 -3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.692 -1.470 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.966 1.042 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.604 -0.175 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.375 0.246 -4.333 1.00 0.00 H new ATOM 371 N VAL A 26 6.175 -4.530 -3.531 1.00 0.00 N ATOM 372 CA VAL A 26 6.733 -5.637 -2.763 1.00 0.00 C ATOM 373 C VAL A 26 8.221 -5.432 -2.505 1.00 0.00 C ATOM 374 O VAL A 26 9.048 -5.608 -3.400 1.00 0.00 O ATOM 375 CB VAL A 26 6.529 -6.981 -3.487 1.00 0.00 C ATOM 376 CG1 VAL A 26 6.870 -6.849 -4.964 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.366 -8.070 -2.834 1.00 0.00 C ATOM 0 H VAL A 26 6.093 -4.710 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 26 6.202 -5.661 -1.811 1.00 0.00 H new ATOM 0 HB VAL A 26 5.479 -7.263 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.720 -7.808 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.224 -6.100 -5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.911 -6.544 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.210 -9.013 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.420 -7.798 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.069 -8.181 -1.791 1.00 0.00 H new ATOM 387 N LEU A 27 8.556 -5.058 -1.275 1.00 0.00 N ATOM 388 CA LEU A 27 9.946 -4.829 -0.897 1.00 0.00 C ATOM 389 C LEU A 27 10.629 -6.137 -0.511 1.00 0.00 C ATOM 390 O LEU A 27 11.666 -6.498 -1.067 1.00 0.00 O ATOM 391 CB LEU A 27 10.023 -3.838 0.267 1.00 0.00 C ATOM 392 CG LEU A 27 9.267 -2.522 0.078 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.127 -1.793 1.405 1.00 0.00 C ATOM 394 CD2 LEU A 27 9.973 -1.643 -0.944 1.00 0.00 C ATOM 0 H LEU A 27 7.884 -4.907 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 27 10.466 -4.410 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.640 -4.329 1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.072 -3.608 0.454 1.00 0.00 H new ATOM 0 HG LEU A 27 8.269 -2.749 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.587 -0.859 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.577 -2.419 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.117 -1.578 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.421 -0.711 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.984 -1.424 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.021 -2.164 -1.900 1.00 0.00 H new ATOM 406 N THR A 28 10.037 -6.848 0.445 1.00 0.00 N ATOM 407 CA THR A 28 10.587 -8.117 0.905 1.00 0.00 C ATOM 408 C THR A 28 9.514 -9.198 0.945 1.00 0.00 C ATOM 409 O THR A 28 8.315 -8.917 0.953 1.00 0.00 O ATOM 410 CB THR A 28 11.216 -7.982 2.305 1.00 0.00 C ATOM 411 OG1 THR A 28 10.554 -6.949 3.043 1.00 0.00 O ATOM 412 CG2 THR A 28 12.701 -7.667 2.202 1.00 0.00 C ATOM 0 H THR A 28 9.177 -6.566 0.915 1.00 0.00 H new ATOM 0 HA THR A 28 11.361 -8.403 0.193 1.00 0.00 H new ATOM 0 HB THR A 28 11.097 -8.932 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.959 -6.871 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.124 -7.576 3.202 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.207 -8.470 1.666 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.837 -6.729 1.664 1.00 0.00 H new ATOM 420 N PRO A 29 9.951 -10.466 0.972 1.00 0.00 N ATOM 421 CA PRO A 29 9.042 -11.616 1.013 1.00 0.00 C ATOM 422 C PRO A 29 8.317 -11.735 2.349 1.00 0.00 C ATOM 423 O PRO A 29 7.462 -12.602 2.529 1.00 0.00 O ATOM 424 CB PRO A 29 9.974 -12.812 0.802 1.00 0.00 C ATOM 425 CG PRO A 29 11.305 -12.344 1.280 1.00 0.00 C ATOM 426 CD PRO A 29 11.365 -10.875 0.964 1.00 0.00 C ATOM 0 HA PRO A 29 8.251 -11.537 0.267 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.635 -13.682 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.011 -13.105 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.419 -12.518 2.350 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.110 -12.884 0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.946 -10.328 1.707 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.831 -10.691 -0.004 1.00 0.00 H new ATOM 434 N THR A 30 8.663 -10.856 3.285 1.00 0.00 N ATOM 435 CA THR A 30 8.046 -10.863 4.605 1.00 0.00 C ATOM 436 C THR A 30 7.402 -9.517 4.918 1.00 0.00 C ATOM 437 O THR A 30 6.906 -9.296 6.023 1.00 0.00 O ATOM 438 CB THR A 30 9.073 -11.196 5.704 1.00 0.00 C ATOM 439 OG1 THR A 30 10.219 -10.346 5.577 1.00 0.00 O ATOM 440 CG2 THR A 30 9.504 -12.653 5.619 1.00 0.00 C ATOM 0 H THR A 30 9.367 -10.130 3.153 1.00 0.00 H new ATOM 0 HA THR A 30 7.278 -11.636 4.590 1.00 0.00 H new ATOM 0 HB THR A 30 8.602 -11.029 6.673 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.866 -10.563 6.280 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.229 -12.864 6.405 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.634 -13.298 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.958 -12.842 4.646 1.00 0.00 H new ATOM 448 N THR A 31 7.413 -8.619 3.938 1.00 0.00 N ATOM 449 CA THR A 31 6.830 -7.294 4.109 1.00 0.00 C ATOM 450 C THR A 31 6.511 -6.656 2.762 1.00 0.00 C ATOM 451 O THR A 31 7.285 -6.770 1.811 1.00 0.00 O ATOM 452 CB THR A 31 7.772 -6.364 4.896 1.00 0.00 C ATOM 453 OG1 THR A 31 8.534 -7.123 5.840 1.00 0.00 O ATOM 454 CG2 THR A 31 6.984 -5.285 5.623 1.00 0.00 C ATOM 0 H THR A 31 7.819 -8.785 3.017 1.00 0.00 H new ATOM 0 HA THR A 31 5.906 -7.425 4.673 1.00 0.00 H new ATOM 0 HB THR A 31 8.447 -5.884 4.188 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.131 -6.524 6.335 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.671 -4.640 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.428 -4.690 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.288 -5.751 6.320 1.00 0.00 H new ATOM 462 N VAL A 32 5.368 -5.982 2.687 1.00 0.00 N ATOM 463 CA VAL A 32 4.948 -5.323 1.457 1.00 0.00 C ATOM 464 C VAL A 32 4.474 -3.900 1.729 1.00 0.00 C ATOM 465 O VAL A 32 3.692 -3.662 2.649 1.00 0.00 O ATOM 466 CB VAL A 32 3.818 -6.103 0.759 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.252 -5.300 -0.401 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.322 -7.458 0.285 1.00 0.00 C ATOM 0 H VAL A 32 4.716 -5.878 3.465 1.00 0.00 H new ATOM 0 HA VAL A 32 5.819 -5.294 0.802 1.00 0.00 H new ATOM 0 HB VAL A 32 3.016 -6.270 1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.455 -5.867 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.853 -4.356 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.042 -5.100 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.511 -7.996 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.142 -7.315 -0.419 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.675 -8.034 1.140 1.00 0.00 H new ATOM 478 N GLN A 33 4.953 -2.958 0.923 1.00 0.00 N ATOM 479 CA GLN A 33 4.577 -1.557 1.078 1.00 0.00 C ATOM 480 C GLN A 33 3.356 -1.223 0.228 1.00 0.00 C ATOM 481 O GLN A 33 3.331 -1.492 -0.973 1.00 0.00 O ATOM 482 CB GLN A 33 5.746 -0.648 0.693 1.00 0.00 C ATOM 483 CG GLN A 33 5.700 0.717 1.359 1.00 0.00 C ATOM 484 CD GLN A 33 6.526 1.754 0.623 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.557 1.436 0.030 1.00 0.00 O ATOM 486 NE2 GLN A 33 6.075 3.002 0.656 1.00 0.00 N ATOM 0 H GLN A 33 5.602 -3.139 0.157 1.00 0.00 H new ATOM 0 HA GLN A 33 4.324 -1.389 2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.681 -1.141 0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.751 -0.515 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.665 1.055 1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.062 0.630 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.215 3.221 1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.588 3.742 0.177 1.00 0.00 H new ATOM 495 N VAL A 34 2.344 -0.636 0.859 1.00 0.00 N ATOM 496 CA VAL A 34 1.120 -0.264 0.160 1.00 0.00 C ATOM 497 C VAL A 34 0.971 1.251 0.078 1.00 0.00 C ATOM 498 O VAL A 34 1.021 1.946 1.093 1.00 0.00 O ATOM 499 CB VAL A 34 -0.123 -0.855 0.852 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.391 -0.429 0.128 1.00 0.00 C ATOM 501 CG2 VAL A 34 -0.023 -2.371 0.922 1.00 0.00 C ATOM 0 H VAL A 34 2.348 -0.408 1.853 1.00 0.00 H new ATOM 0 HA VAL A 34 1.195 -0.673 -0.848 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.168 -0.469 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.258 -0.856 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.466 0.658 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.358 -0.784 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.909 -2.772 1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.048 -2.778 -0.087 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.865 -2.651 1.489 1.00 0.00 H new ATOM 511 N THR A 35 0.789 1.758 -1.137 1.00 0.00 N ATOM 512 CA THR A 35 0.633 3.191 -1.352 1.00 0.00 C ATOM 513 C THR A 35 -0.686 3.502 -2.050 1.00 0.00 C ATOM 514 O THR A 35 -1.228 2.667 -2.773 1.00 0.00 O ATOM 515 CB THR A 35 1.792 3.762 -2.190 1.00 0.00 C ATOM 516 OG1 THR A 35 3.045 3.296 -1.677 1.00 0.00 O ATOM 517 CG2 THR A 35 1.769 5.283 -2.180 1.00 0.00 C ATOM 0 H THR A 35 0.746 1.197 -1.988 1.00 0.00 H new ATOM 0 HA THR A 35 0.639 3.661 -0.369 1.00 0.00 H new ATOM 0 HB THR A 35 1.671 3.419 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.776 3.663 -2.217 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.597 5.663 -2.778 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.826 5.635 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.867 5.642 -1.155 1.00 0.00 H new ATOM 525 N TRP A 36 -1.196 4.708 -1.828 1.00 0.00 N ATOM 526 CA TRP A 36 -2.452 5.130 -2.438 1.00 0.00 C ATOM 527 C TRP A 36 -2.620 6.643 -2.347 1.00 0.00 C ATOM 528 O TRP A 36 -1.839 7.326 -1.685 1.00 0.00 O ATOM 529 CB TRP A 36 -3.631 4.432 -1.759 1.00 0.00 C ATOM 530 CG TRP A 36 -3.870 4.898 -0.355 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.616 5.973 0.037 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.358 4.305 0.844 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.599 6.084 1.406 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.835 5.072 1.925 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.545 3.200 1.109 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.523 4.768 3.247 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.237 2.899 2.422 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.725 3.680 3.478 1.00 0.00 C ATOM 0 H TRP A 36 -0.760 5.410 -1.231 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.429 4.849 -3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.532 4.601 -2.348 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.452 3.357 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.142 6.638 -0.632 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.078 6.803 1.948 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.164 2.592 0.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.897 5.370 4.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.609 2.047 2.638 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.467 3.419 4.494 1.00 0.00 H new ATOM 549 N THR A 37 -3.646 7.161 -3.016 1.00 0.00 N ATOM 550 CA THR A 37 -3.916 8.593 -3.011 1.00 0.00 C ATOM 551 C THR A 37 -5.407 8.872 -3.160 1.00 0.00 C ATOM 552 O THR A 37 -6.144 8.072 -3.735 1.00 0.00 O ATOM 553 CB THR A 37 -3.155 9.312 -4.142 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.206 10.729 -3.942 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.749 8.965 -5.499 1.00 0.00 C ATOM 0 H THR A 37 -4.303 6.610 -3.568 1.00 0.00 H new ATOM 0 HA THR A 37 -3.572 8.976 -2.050 1.00 0.00 H new ATOM 0 HB THR A 37 -2.117 8.979 -4.121 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.719 11.179 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.196 9.484 -6.282 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.683 7.889 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.794 9.273 -5.528 1.00 0.00 H new ATOM 563 N VAL A 38 -5.846 10.013 -2.638 1.00 0.00 N ATOM 564 CA VAL A 38 -7.250 10.399 -2.714 1.00 0.00 C ATOM 565 C VAL A 38 -7.400 11.832 -3.213 1.00 0.00 C ATOM 566 O VAL A 38 -6.653 12.722 -2.808 1.00 0.00 O ATOM 567 CB VAL A 38 -7.943 10.268 -1.345 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.717 8.882 -0.762 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.446 11.345 -0.392 1.00 0.00 C ATOM 0 H VAL A 38 -5.249 10.686 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.727 9.720 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.015 10.405 -1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.214 8.809 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.126 8.132 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.648 8.711 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.946 11.238 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.370 11.241 -0.255 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.666 12.328 -0.808 1.00 0.00 H new ATOM 579 N ASP A 39 -8.371 12.047 -4.094 1.00 0.00 N ATOM 580 CA ASP A 39 -8.621 13.372 -4.648 1.00 0.00 C ATOM 581 C ASP A 39 -9.223 14.297 -3.594 1.00 0.00 C ATOM 582 O ASP A 39 -8.730 15.403 -3.370 1.00 0.00 O ATOM 583 CB ASP A 39 -9.556 13.277 -5.854 1.00 0.00 C ATOM 584 CG ASP A 39 -9.525 14.526 -6.712 1.00 0.00 C ATOM 585 OD1 ASP A 39 -8.417 14.950 -7.101 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.608 15.081 -6.993 1.00 0.00 O ATOM 0 H ASP A 39 -8.998 11.320 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.667 13.789 -4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.275 12.416 -6.461 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.575 13.103 -5.507 1.00 0.00 H new ATOM 591 N ARG A 40 -10.291 13.837 -2.951 1.00 0.00 N ATOM 592 CA ARG A 40 -10.961 14.623 -1.923 1.00 0.00 C ATOM 593 C ARG A 40 -10.704 14.039 -0.537 1.00 0.00 C ATOM 594 O ARG A 40 -11.414 13.138 -0.092 1.00 0.00 O ATOM 595 CB ARG A 40 -12.466 14.678 -2.193 1.00 0.00 C ATOM 596 CG ARG A 40 -12.828 15.413 -3.473 1.00 0.00 C ATOM 597 CD ARG A 40 -14.273 15.157 -3.873 1.00 0.00 C ATOM 598 NE ARG A 40 -14.498 15.397 -5.296 1.00 0.00 N ATOM 599 CZ ARG A 40 -15.569 14.966 -5.954 1.00 0.00 C ATOM 600 NH1 ARG A 40 -16.508 14.278 -5.319 1.00 0.00 N ATOM 601 NH2 ARG A 40 -15.702 15.225 -7.248 1.00 0.00 N ATOM 0 H ARG A 40 -10.711 12.924 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.555 15.634 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.855 13.661 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.960 15.165 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.671 16.483 -3.336 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.165 15.094 -4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.539 14.128 -3.633 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.930 15.801 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.794 15.924 -5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -16.409 14.079 -4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.329 13.948 -5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.982 15.755 -7.739 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.524 14.894 -7.753 1.00 0.00 H new ATOM 615 N GLN A 41 -9.683 14.558 0.138 1.00 0.00 N ATOM 616 CA GLN A 41 -9.332 14.086 1.472 1.00 0.00 C ATOM 617 C GLN A 41 -10.422 14.439 2.479 1.00 0.00 C ATOM 618 O GLN A 41 -10.713 15.608 2.732 1.00 0.00 O ATOM 619 CB GLN A 41 -7.998 14.690 1.915 1.00 0.00 C ATOM 620 CG GLN A 41 -7.678 14.450 3.381 1.00 0.00 C ATOM 621 CD GLN A 41 -6.419 15.166 3.829 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.327 14.900 3.325 1.00 0.00 O ATOM 623 NE2 GLN A 41 -6.564 16.081 4.780 1.00 0.00 N ATOM 0 H GLN A 41 -9.085 15.304 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.237 13.001 1.432 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.198 14.271 1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.014 15.763 1.726 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.517 14.783 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.564 13.380 3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.488 16.270 5.170 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.752 16.595 5.121 1.00 0.00 H new ATOM 632 N PRO A 42 -11.041 13.405 3.069 1.00 0.00 N ATOM 633 CA PRO A 42 -12.108 13.581 4.058 1.00 0.00 C ATOM 634 C PRO A 42 -11.591 14.149 5.375 1.00 0.00 C ATOM 635 O PRO A 42 -10.531 13.751 5.858 1.00 0.00 O ATOM 636 CB PRO A 42 -12.642 12.161 4.260 1.00 0.00 C ATOM 637 CG PRO A 42 -11.499 11.273 3.904 1.00 0.00 C ATOM 638 CD PRO A 42 -10.745 11.985 2.816 1.00 0.00 C ATOM 0 HA PRO A 42 -12.863 14.291 3.721 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.962 12.001 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.506 11.969 3.624 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.860 11.094 4.769 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.852 10.300 3.562 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.675 11.782 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.080 11.675 1.826 1.00 0.00 H new ATOM 646 N GLN A 43 -12.346 15.080 5.950 1.00 0.00 N ATOM 647 CA GLN A 43 -11.961 15.702 7.211 1.00 0.00 C ATOM 648 C GLN A 43 -12.456 14.880 8.396 1.00 0.00 C ATOM 649 O GLN A 43 -11.807 14.824 9.441 1.00 0.00 O ATOM 650 CB GLN A 43 -12.519 17.124 7.293 1.00 0.00 C ATOM 651 CG GLN A 43 -11.614 18.170 6.662 1.00 0.00 C ATOM 652 CD GLN A 43 -12.195 19.568 6.740 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.412 19.745 6.791 1.00 0.00 O ATOM 654 NE2 GLN A 43 -11.325 20.571 6.750 1.00 0.00 N ATOM 0 H GLN A 43 -13.227 15.420 5.563 1.00 0.00 H new ATOM 0 HA GLN A 43 -10.872 15.743 7.250 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.491 17.153 6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.683 17.381 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.645 18.155 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.439 17.911 5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.324 20.379 6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.657 21.534 6.802 1.00 0.00 H new ATOM 663 N PHE A 44 -13.611 14.243 8.228 1.00 0.00 N ATOM 664 CA PHE A 44 -14.194 13.424 9.284 1.00 0.00 C ATOM 665 C PHE A 44 -13.398 12.136 9.476 1.00 0.00 C ATOM 666 O PHE A 44 -13.135 11.719 10.605 1.00 0.00 O ATOM 667 CB PHE A 44 -15.651 13.092 8.956 1.00 0.00 C ATOM 668 CG PHE A 44 -15.833 12.469 7.602 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.886 13.258 6.463 1.00 0.00 C ATOM 670 CD2 PHE A 44 -15.951 11.096 7.467 1.00 0.00 C ATOM 671 CE1 PHE A 44 -16.055 12.687 5.216 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.120 10.519 6.222 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.171 11.316 5.095 1.00 0.00 C ATOM 0 H PHE A 44 -14.161 14.279 7.370 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.159 13.994 10.212 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.040 12.413 9.715 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.244 14.005 9.010 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.794 14.330 6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -15.911 10.468 8.345 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -16.096 13.312 4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -16.212 9.447 6.131 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.301 10.868 4.121 1.00 0.00 H new ATOM 683 N ILE A 45 -13.018 11.512 8.367 1.00 0.00 N ATOM 684 CA ILE A 45 -12.253 10.272 8.413 1.00 0.00 C ATOM 685 C ILE A 45 -11.307 10.254 9.609 1.00 0.00 C ATOM 686 O ILE A 45 -10.782 11.291 10.013 1.00 0.00 O ATOM 687 CB ILE A 45 -11.435 10.068 7.124 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.156 8.580 6.901 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.132 10.851 7.193 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.527 8.277 5.559 1.00 0.00 C ATOM 0 H ILE A 45 -13.227 11.844 7.426 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.973 9.460 8.510 1.00 0.00 H new ATOM 0 HB ILE A 45 -12.016 10.441 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.497 8.220 7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.091 8.026 6.988 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.566 10.696 6.275 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.351 11.912 7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.545 10.506 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.358 7.204 5.471 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.194 8.606 4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.576 8.802 5.476 1.00 0.00 H new ATOM 702 N GLN A 46 -11.096 9.068 10.171 1.00 0.00 N ATOM 703 CA GLN A 46 -10.213 8.915 11.321 1.00 0.00 C ATOM 704 C GLN A 46 -8.902 8.249 10.916 1.00 0.00 C ATOM 705 O GLN A 46 -7.881 8.406 11.585 1.00 0.00 O ATOM 706 CB GLN A 46 -10.900 8.092 12.413 1.00 0.00 C ATOM 707 CG GLN A 46 -11.849 8.904 13.279 1.00 0.00 C ATOM 708 CD GLN A 46 -11.184 10.120 13.893 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.460 10.012 14.883 1.00 0.00 O ATOM 710 NE2 GLN A 46 -11.425 11.287 13.306 1.00 0.00 N ATOM 0 H GLN A 46 -11.524 8.200 9.849 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.990 9.908 11.710 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.454 7.276 11.948 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.139 7.639 13.048 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.699 9.225 12.677 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.242 8.270 14.074 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.032 11.330 12.487 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.003 12.140 13.674 1.00 0.00 H new ATOM 719 N GLY A 47 -8.937 7.504 9.815 1.00 0.00 N ATOM 720 CA GLY A 47 -7.746 6.825 9.340 1.00 0.00 C ATOM 721 C GLY A 47 -8.001 6.016 8.084 1.00 0.00 C ATOM 722 O GLY A 47 -8.767 6.433 7.214 1.00 0.00 O ATOM 0 H GLY A 47 -9.769 7.359 9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.967 7.561 9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.371 6.166 10.123 1.00 0.00 H new ATOM 726 N TYR A 48 -7.359 4.858 7.988 1.00 0.00 N ATOM 727 CA TYR A 48 -7.517 3.990 6.826 1.00 0.00 C ATOM 728 C TYR A 48 -7.412 2.521 7.225 1.00 0.00 C ATOM 729 O TYR A 48 -6.600 2.154 8.075 1.00 0.00 O ATOM 730 CB TYR A 48 -6.462 4.320 5.769 1.00 0.00 C ATOM 731 CG TYR A 48 -6.755 5.584 4.994 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.599 5.566 3.891 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.188 6.797 5.365 1.00 0.00 C ATOM 734 CE1 TYR A 48 -7.870 6.719 3.179 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.454 7.955 4.660 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.295 7.911 3.568 1.00 0.00 C ATOM 737 OH TYR A 48 -7.561 9.062 2.863 1.00 0.00 O ATOM 0 H TYR A 48 -6.724 4.498 8.700 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.508 4.164 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.491 4.419 6.255 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.386 3.486 5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.051 4.635 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.528 6.835 6.219 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.528 6.687 2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.006 8.890 4.963 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.078 9.813 3.268 1.00 0.00 H new ATOM 747 N ARG A 49 -8.239 1.686 6.606 1.00 0.00 N ATOM 748 CA ARG A 49 -8.241 0.257 6.895 1.00 0.00 C ATOM 749 C ARG A 49 -7.691 -0.538 5.715 1.00 0.00 C ATOM 750 O ARG A 49 -8.358 -0.692 4.691 1.00 0.00 O ATOM 751 CB ARG A 49 -9.658 -0.216 7.227 1.00 0.00 C ATOM 752 CG ARG A 49 -9.696 -1.469 8.086 1.00 0.00 C ATOM 753 CD ARG A 49 -11.097 -1.741 8.612 1.00 0.00 C ATOM 754 NE ARG A 49 -11.455 -0.842 9.706 1.00 0.00 N ATOM 755 CZ ARG A 49 -12.686 -0.731 10.192 1.00 0.00 C ATOM 756 NH1 ARG A 49 -13.671 -1.459 9.684 1.00 0.00 N ATOM 757 NH2 ARG A 49 -12.934 0.109 11.189 1.00 0.00 N ATOM 0 H ARG A 49 -8.917 1.974 5.901 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.597 0.086 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.187 0.585 7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.196 -0.406 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.353 -2.323 7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.007 -1.359 8.923 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.817 -1.630 7.801 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.161 -2.773 8.955 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.720 -0.268 10.119 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.484 -2.106 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.615 -1.372 10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.179 0.670 11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.880 0.193 11.561 1.00 0.00 H new ATOM 771 N VAL A 50 -6.470 -1.040 5.864 1.00 0.00 N ATOM 772 CA VAL A 50 -5.830 -1.820 4.811 1.00 0.00 C ATOM 773 C VAL A 50 -6.061 -3.313 5.014 1.00 0.00 C ATOM 774 O VAL A 50 -5.398 -3.948 5.833 1.00 0.00 O ATOM 775 CB VAL A 50 -4.314 -1.550 4.755 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.661 -2.394 3.671 1.00 0.00 C ATOM 777 CG2 VAL A 50 -4.046 -0.070 4.524 1.00 0.00 C ATOM 0 H VAL A 50 -5.904 -0.921 6.704 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.283 -1.510 3.869 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.876 -1.831 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.591 -2.190 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.824 -3.450 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.100 -2.147 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.971 0.104 4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.496 0.238 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.479 0.510 5.339 1.00 0.00 H new ATOM 787 N MET A 51 -7.007 -3.867 4.263 1.00 0.00 N ATOM 788 CA MET A 51 -7.326 -5.287 4.359 1.00 0.00 C ATOM 789 C MET A 51 -6.435 -6.108 3.432 1.00 0.00 C ATOM 790 O MET A 51 -6.243 -5.756 2.268 1.00 0.00 O ATOM 791 CB MET A 51 -8.797 -5.526 4.016 1.00 0.00 C ATOM 792 CG MET A 51 -9.741 -5.279 5.182 1.00 0.00 C ATOM 793 SD MET A 51 -11.463 -5.611 4.763 1.00 0.00 S ATOM 794 CE MET A 51 -11.390 -7.361 4.389 1.00 0.00 C ATOM 0 H MET A 51 -7.566 -3.354 3.581 1.00 0.00 H new ATOM 0 HA MET A 51 -7.144 -5.606 5.385 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.079 -4.876 3.187 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.919 -6.553 3.672 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.447 -5.909 6.022 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.644 -4.244 5.510 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.534 -7.511 3.319 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.417 -7.756 4.683 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.174 -7.883 4.937 1.00 0.00 H new ATOM 804 N TYR A 52 -5.894 -7.202 3.956 1.00 0.00 N ATOM 805 CA TYR A 52 -5.022 -8.072 3.175 1.00 0.00 C ATOM 806 C TYR A 52 -5.224 -9.534 3.561 1.00 0.00 C ATOM 807 O TYR A 52 -5.672 -9.840 4.666 1.00 0.00 O ATOM 808 CB TYR A 52 -3.558 -7.676 3.379 1.00 0.00 C ATOM 809 CG TYR A 52 -3.060 -7.906 4.788 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.362 -7.011 5.807 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.287 -9.017 5.100 1.00 0.00 C ATOM 812 CE1 TYR A 52 -2.908 -7.217 7.096 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.829 -9.232 6.386 1.00 0.00 C ATOM 814 CZ TYR A 52 -2.142 -8.328 7.380 1.00 0.00 C ATOM 815 OH TYR A 52 -1.689 -8.537 8.662 1.00 0.00 O ATOM 0 H TYR A 52 -6.044 -7.508 4.918 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.280 -7.954 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.937 -8.243 2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.437 -6.622 3.127 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.962 -6.140 5.588 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.039 -9.726 4.324 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.152 -6.512 7.877 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.230 -10.102 6.611 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.885 -9.459 8.932 1.00 0.00 H new ATOM 825 N ARG A 53 -4.889 -10.433 2.641 1.00 0.00 N ATOM 826 CA ARG A 53 -5.033 -11.863 2.883 1.00 0.00 C ATOM 827 C ARG A 53 -4.417 -12.672 1.745 1.00 0.00 C ATOM 828 O ARG A 53 -4.151 -12.141 0.667 1.00 0.00 O ATOM 829 CB ARG A 53 -6.510 -12.229 3.042 1.00 0.00 C ATOM 830 CG ARG A 53 -7.276 -12.254 1.729 1.00 0.00 C ATOM 831 CD ARG A 53 -8.510 -13.138 1.821 1.00 0.00 C ATOM 832 NE ARG A 53 -9.173 -13.288 0.529 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.411 -13.747 0.387 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.118 -14.098 1.453 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.946 -13.855 -0.823 1.00 0.00 N ATOM 0 H ARG A 53 -4.516 -10.196 1.722 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.505 -12.105 3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.584 -13.208 3.515 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.983 -11.514 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.573 -11.240 1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.625 -12.617 0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.225 -14.120 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.209 -12.711 2.540 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.657 -13.026 -0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.711 -14.016 2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.069 -14.450 1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.406 -13.585 -1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.897 -14.208 -0.931 1.00 0.00 H new ATOM 849 N GLN A 54 -4.194 -13.959 1.994 1.00 0.00 N ATOM 850 CA GLN A 54 -3.608 -14.839 0.990 1.00 0.00 C ATOM 851 C GLN A 54 -4.646 -15.242 -0.053 1.00 0.00 C ATOM 852 O GLN A 54 -5.850 -15.171 0.194 1.00 0.00 O ATOM 853 CB GLN A 54 -3.025 -16.088 1.654 1.00 0.00 C ATOM 854 CG GLN A 54 -1.834 -16.672 0.912 1.00 0.00 C ATOM 855 CD GLN A 54 -0.894 -17.434 1.825 1.00 0.00 C ATOM 856 OE1 GLN A 54 0.290 -17.111 1.926 1.00 0.00 O ATOM 857 NE2 GLN A 54 -1.418 -18.453 2.497 1.00 0.00 N ATOM 0 H GLN A 54 -4.410 -14.414 2.881 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.808 -14.295 0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.723 -15.841 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.804 -16.847 1.728 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.191 -17.338 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.286 -15.867 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.405 -18.686 2.383 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.834 -19.003 3.127 1.00 0.00 H new ATOM 866 N THR A 55 -4.171 -15.665 -1.221 1.00 0.00 N ATOM 867 CA THR A 55 -5.057 -16.077 -2.302 1.00 0.00 C ATOM 868 C THR A 55 -4.614 -17.408 -2.899 1.00 0.00 C ATOM 869 O THR A 55 -5.439 -18.202 -3.350 1.00 0.00 O ATOM 870 CB THR A 55 -5.110 -15.018 -3.419 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.797 -14.791 -3.942 1.00 0.00 O ATOM 872 CG2 THR A 55 -5.688 -13.711 -2.899 1.00 0.00 C ATOM 0 H THR A 55 -3.177 -15.731 -1.442 1.00 0.00 H new ATOM 0 HA THR A 55 -6.052 -16.189 -1.870 1.00 0.00 H new ATOM 0 HB THR A 55 -5.757 -15.392 -4.213 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.840 -14.118 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.715 -12.979 -3.706 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.699 -13.882 -2.530 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.064 -13.334 -2.088 1.00 0.00 H new ATOM 880 N SER A 56 -3.306 -17.645 -2.897 1.00 0.00 N ATOM 881 CA SER A 56 -2.753 -18.880 -3.442 1.00 0.00 C ATOM 882 C SER A 56 -2.369 -19.843 -2.323 1.00 0.00 C ATOM 883 O SER A 56 -2.662 -21.036 -2.388 1.00 0.00 O ATOM 884 CB SER A 56 -1.531 -18.576 -4.311 1.00 0.00 C ATOM 885 OG SER A 56 -0.978 -19.766 -4.847 1.00 0.00 O ATOM 0 H SER A 56 -2.610 -16.999 -2.525 1.00 0.00 H new ATOM 0 HA SER A 56 -3.519 -19.352 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.815 -17.906 -5.122 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.779 -18.057 -3.717 1.00 0.00 H new ATOM 0 HG SER A 56 -0.199 -19.545 -5.400 1.00 0.00 H new ATOM 891 N GLY A 57 -1.711 -19.315 -1.295 1.00 0.00 N ATOM 892 CA GLY A 57 -1.296 -20.141 -0.176 1.00 0.00 C ATOM 893 C GLY A 57 -2.449 -20.917 0.429 1.00 0.00 C ATOM 894 O GLY A 57 -3.541 -20.966 -0.139 1.00 0.00 O ATOM 0 H GLY A 57 -1.458 -18.330 -1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.527 -20.838 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.845 -19.510 0.590 1.00 0.00 H new ATOM 898 N LEU A 58 -2.207 -21.528 1.584 1.00 0.00 N ATOM 899 CA LEU A 58 -3.233 -22.308 2.266 1.00 0.00 C ATOM 900 C LEU A 58 -4.203 -21.398 3.013 1.00 0.00 C ATOM 901 O LEU A 58 -5.415 -21.604 2.976 1.00 0.00 O ATOM 902 CB LEU A 58 -2.588 -23.294 3.242 1.00 0.00 C ATOM 903 CG LEU A 58 -3.431 -24.511 3.623 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.729 -24.075 4.285 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.718 -25.366 2.397 1.00 0.00 C ATOM 0 H LEU A 58 -1.309 -21.498 2.067 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.791 -22.864 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.653 -23.647 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.331 -22.755 4.154 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.866 -25.111 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.316 -24.955 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.504 -23.505 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.298 -23.453 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.319 -26.228 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.263 -24.775 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.778 -25.708 1.964 1.00 0.00 H new ATOM 917 N GLN A 59 -3.659 -20.390 3.688 1.00 0.00 N ATOM 918 CA GLN A 59 -4.477 -19.447 4.442 1.00 0.00 C ATOM 919 C GLN A 59 -5.399 -18.663 3.514 1.00 0.00 C ATOM 920 O GLN A 59 -6.260 -17.910 3.969 1.00 0.00 O ATOM 921 CB GLN A 59 -3.587 -18.483 5.229 1.00 0.00 C ATOM 922 CG GLN A 59 -2.728 -19.168 6.279 1.00 0.00 C ATOM 923 CD GLN A 59 -3.444 -19.329 7.605 1.00 0.00 C ATOM 924 OE1 GLN A 59 -4.342 -18.554 7.937 1.00 0.00 O ATOM 925 NE2 GLN A 59 -3.051 -20.339 8.372 1.00 0.00 N ATOM 0 H GLN A 59 -2.657 -20.206 3.728 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.092 -20.015 5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.939 -17.950 4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.215 -17.737 5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.426 -20.149 5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.816 -18.590 6.431 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.303 -20.957 8.058 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.497 -20.497 9.275 1.00 0.00 H new ATOM 934 N ALA A 60 -5.214 -18.846 2.211 1.00 0.00 N ATOM 935 CA ALA A 60 -6.031 -18.158 1.219 1.00 0.00 C ATOM 936 C ALA A 60 -7.510 -18.225 1.584 1.00 0.00 C ATOM 937 O ALA A 60 -7.977 -19.215 2.147 1.00 0.00 O ATOM 938 CB ALA A 60 -5.798 -18.753 -0.162 1.00 0.00 C ATOM 0 H ALA A 60 -4.505 -19.465 1.818 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.735 -17.109 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.415 -18.229 -0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.747 -18.647 -0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.065 -19.810 -0.153 1.00 0.00 H new ATOM 944 N THR A 61 -8.244 -17.165 1.260 1.00 0.00 N ATOM 945 CA THR A 61 -9.669 -17.102 1.555 1.00 0.00 C ATOM 946 C THR A 61 -9.993 -17.821 2.860 1.00 0.00 C ATOM 947 O THR A 61 -11.039 -18.457 2.987 1.00 0.00 O ATOM 948 CB THR A 61 -10.506 -17.723 0.420 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.897 -17.679 0.756 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.086 -19.162 0.162 1.00 0.00 C ATOM 0 H THR A 61 -7.874 -16.338 0.792 1.00 0.00 H new ATOM 0 HA THR A 61 -9.925 -16.047 1.651 1.00 0.00 H new ATOM 0 HB THR A 61 -10.334 -17.143 -0.487 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.061 -18.238 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.691 -19.579 -0.643 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.034 -19.189 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.231 -19.751 1.067 1.00 0.00 H new ATOM 958 N SER A 62 -9.088 -17.716 3.828 1.00 0.00 N ATOM 959 CA SER A 62 -9.276 -18.359 5.123 1.00 0.00 C ATOM 960 C SER A 62 -9.751 -17.351 6.166 1.00 0.00 C ATOM 961 O SER A 62 -10.689 -17.615 6.918 1.00 0.00 O ATOM 962 CB SER A 62 -7.972 -19.013 5.586 1.00 0.00 C ATOM 963 OG SER A 62 -8.206 -19.919 6.650 1.00 0.00 O ATOM 0 H SER A 62 -8.217 -17.192 3.740 1.00 0.00 H new ATOM 0 HA SER A 62 -10.040 -19.128 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.509 -19.539 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.270 -18.244 5.907 1.00 0.00 H new ATOM 0 HG SER A 62 -7.358 -20.325 6.927 1.00 0.00 H new ATOM 969 N SER A 63 -9.095 -16.196 6.205 1.00 0.00 N ATOM 970 CA SER A 63 -9.447 -15.149 7.157 1.00 0.00 C ATOM 971 C SER A 63 -8.830 -13.814 6.750 1.00 0.00 C ATOM 972 O SER A 63 -7.609 -13.659 6.744 1.00 0.00 O ATOM 973 CB SER A 63 -8.980 -15.532 8.563 1.00 0.00 C ATOM 974 OG SER A 63 -9.434 -16.827 8.916 1.00 0.00 O ATOM 0 H SER A 63 -8.317 -15.961 5.589 1.00 0.00 H new ATOM 0 HA SER A 63 -10.532 -15.042 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.891 -15.500 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.352 -14.804 9.284 1.00 0.00 H new ATOM 0 HG SER A 63 -10.301 -16.996 8.493 1.00 0.00 H new ATOM 980 N TRP A 64 -9.683 -12.855 6.410 1.00 0.00 N ATOM 981 CA TRP A 64 -9.223 -11.533 6.001 1.00 0.00 C ATOM 982 C TRP A 64 -8.600 -10.786 7.175 1.00 0.00 C ATOM 983 O TRP A 64 -9.028 -10.942 8.318 1.00 0.00 O ATOM 984 CB TRP A 64 -10.385 -10.722 5.424 1.00 0.00 C ATOM 985 CG TRP A 64 -10.549 -10.889 3.944 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.472 -11.666 3.304 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.766 -10.266 2.920 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.310 -11.564 1.943 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.270 -10.711 1.682 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.689 -9.376 2.927 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.733 -10.294 0.467 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -8.157 -8.963 1.720 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.680 -9.422 0.504 1.00 0.00 C ATOM 0 H TRP A 64 -10.697 -12.968 6.409 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.462 -11.663 5.232 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.308 -11.020 5.920 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.229 -9.667 5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -12.219 -12.272 3.795 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.873 -12.045 1.241 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.279 -9.017 3.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -10.134 -10.647 -0.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.324 -8.275 1.714 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.243 -9.080 -0.423 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.587 -9.976 6.885 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.905 -9.206 7.919 1.00 0.00 C ATOM 1006 C GLN A 65 -7.196 -7.716 7.768 1.00 0.00 C ATOM 1007 O GLN A 65 -7.667 -7.268 6.724 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.397 -9.452 7.856 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.991 -10.852 8.286 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.617 -11.244 7.777 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -2.658 -11.326 8.545 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -3.516 -11.489 6.476 1.00 0.00 N ATOM 0 H GLN A 65 -7.221 -9.836 5.943 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.279 -9.535 8.889 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.051 -9.279 6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.892 -8.725 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.001 -10.911 9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.727 -11.568 7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.337 -11.409 5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.617 -11.757 6.076 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.911 -6.954 8.819 1.00 0.00 N ATOM 1022 CA ASN A 66 -7.142 -5.514 8.804 1.00 0.00 C ATOM 1023 C ASN A 66 -6.051 -4.779 9.576 1.00 0.00 C ATOM 1024 O ASN A 66 -5.733 -5.133 10.713 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.512 -5.191 9.404 1.00 0.00 C ATOM 1026 CG ASN A 66 -9.538 -6.271 9.118 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -9.395 -7.410 9.563 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -10.578 -5.917 8.373 1.00 0.00 N ATOM 0 H ASN A 66 -6.520 -7.309 9.691 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.117 -5.178 7.767 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.413 -5.064 10.482 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.867 -4.242 9.003 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.300 -6.601 8.148 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.655 -4.961 8.026 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.480 -3.754 8.952 1.00 0.00 N ATOM 1036 CA LEU A 67 -4.424 -2.968 9.581 1.00 0.00 C ATOM 1037 C LEU A 67 -4.850 -1.512 9.738 1.00 0.00 C ATOM 1038 O LEU A 67 -4.713 -0.711 8.813 1.00 0.00 O ATOM 1039 CB LEU A 67 -3.140 -3.050 8.754 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.907 -2.378 9.360 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -1.261 -3.284 10.396 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.909 -2.013 8.271 1.00 0.00 C ATOM 0 H LEU A 67 -5.730 -3.448 8.012 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.237 -3.381 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.909 -4.101 8.582 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.331 -2.602 7.779 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.224 -1.461 9.856 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.385 -2.789 10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.976 -3.495 11.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.958 -4.219 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.038 -1.536 8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.597 -2.916 7.746 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.376 -1.325 7.566 1.00 0.00 H new ATOM 1054 N ASP A 68 -5.364 -1.175 10.916 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.807 0.186 11.196 1.00 0.00 C ATOM 1056 C ASP A 68 -4.618 1.139 11.269 1.00 0.00 C ATOM 1057 O ASP A 68 -3.859 1.127 12.237 1.00 0.00 O ATOM 1058 CB ASP A 68 -6.593 0.229 12.507 1.00 0.00 C ATOM 1059 CG ASP A 68 -6.005 -0.682 13.566 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.785 -0.589 13.818 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -6.764 -1.489 14.142 1.00 0.00 O ATOM 0 H ASP A 68 -5.484 -1.826 11.692 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.457 0.506 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.612 1.252 12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.627 -0.060 12.317 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.464 1.964 10.238 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.369 2.925 10.186 1.00 0.00 C ATOM 1068 C ALA A 69 -3.437 3.899 11.358 1.00 0.00 C ATOM 1069 O ALA A 69 -2.411 4.284 11.919 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.392 3.681 8.866 1.00 0.00 C ATOM 0 H ALA A 69 -5.084 1.986 9.428 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.431 2.374 10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.569 4.395 8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.286 2.976 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.338 4.214 8.768 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.652 4.295 11.722 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.855 5.224 12.827 1.00 0.00 C ATOM 1078 C LYS A 70 -4.195 6.568 12.536 1.00 0.00 C ATOM 1079 O LYS A 70 -3.748 7.262 13.450 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.292 4.637 14.124 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.970 3.347 14.553 1.00 0.00 C ATOM 1082 CD LYS A 70 -6.351 3.609 15.130 1.00 0.00 C ATOM 1083 CE LYS A 70 -6.851 2.421 15.937 1.00 0.00 C ATOM 1084 NZ LYS A 70 -8.187 2.684 16.541 1.00 0.00 N ATOM 0 H LYS A 70 -5.511 3.987 11.267 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.927 5.383 12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.225 4.452 13.996 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.394 5.374 14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.053 2.677 13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.354 2.841 15.296 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.319 4.494 15.765 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.050 3.821 14.321 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.910 1.543 15.293 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.135 2.190 16.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.493 1.851 17.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.126 3.506 17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.876 2.879 15.787 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.138 6.930 11.259 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.535 8.192 10.848 1.00 0.00 C ATOM 1100 C VAL A 71 -4.094 8.659 9.509 1.00 0.00 C ATOM 1101 O VAL A 71 -3.803 8.093 8.455 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.003 8.073 10.738 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.378 9.435 10.478 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.426 7.444 11.997 1.00 0.00 C ATOM 0 H VAL A 71 -4.502 6.367 10.491 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.781 8.925 11.617 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.766 7.425 9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.296 9.330 10.403 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.768 9.842 9.545 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.622 10.110 11.299 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.343 7.368 11.902 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.672 8.064 12.859 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.849 6.449 12.133 1.00 0.00 H new ATOM 1114 N PRO A 72 -4.918 9.717 9.548 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.536 10.284 8.346 1.00 0.00 C ATOM 1116 C PRO A 72 -4.522 10.984 7.448 1.00 0.00 C ATOM 1117 O PRO A 72 -4.876 11.542 6.409 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.540 11.294 8.907 1.00 0.00 C ATOM 1119 CG PRO A 72 -5.995 11.670 10.241 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.309 10.441 10.769 1.00 0.00 C ATOM 0 HA PRO A 72 -5.988 9.516 7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.631 12.164 8.257 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.534 10.856 8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.295 12.502 10.156 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.792 11.991 10.912 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.443 10.695 11.380 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.975 9.846 11.393 1.00 0.00 H new ATOM 1128 N THR A 73 -3.256 10.950 7.854 1.00 0.00 N ATOM 1129 CA THR A 73 -2.190 11.582 7.087 1.00 0.00 C ATOM 1130 C THR A 73 -1.259 10.539 6.479 1.00 0.00 C ATOM 1131 O THR A 73 -0.353 10.873 5.716 1.00 0.00 O ATOM 1132 CB THR A 73 -1.364 12.545 7.960 1.00 0.00 C ATOM 1133 OG1 THR A 73 -0.733 11.823 9.024 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.245 13.642 8.538 1.00 0.00 C ATOM 0 H THR A 73 -2.944 10.491 8.710 1.00 0.00 H new ATOM 0 HA THR A 73 -2.668 12.149 6.288 1.00 0.00 H new ATOM 0 HB THR A 73 -0.602 13.006 7.332 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.208 12.442 9.573 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.640 14.310 9.151 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.701 14.208 7.726 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.027 13.195 9.152 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.488 9.275 6.822 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.667 8.184 6.309 1.00 0.00 C ATOM 1144 C GLU A 74 -1.350 7.499 5.129 1.00 0.00 C ATOM 1145 O GLU A 74 -2.189 6.616 5.311 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.388 7.164 7.414 1.00 0.00 C ATOM 1147 CG GLU A 74 0.732 7.576 8.354 1.00 0.00 C ATOM 1148 CD GLU A 74 0.687 6.835 9.676 1.00 0.00 C ATOM 1149 OE1 GLU A 74 -0.075 5.850 9.778 1.00 0.00 O ATOM 1150 OE2 GLU A 74 1.413 7.238 10.609 1.00 0.00 O ATOM 0 H GLU A 74 -2.234 8.981 7.452 1.00 0.00 H new ATOM 0 HA GLU A 74 0.278 8.604 5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.299 7.010 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.135 6.207 6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.692 7.392 7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.669 8.648 8.540 1.00 0.00 H new ATOM 1157 N ARG A 75 -0.985 7.912 3.920 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.563 7.340 2.710 1.00 0.00 C ATOM 1159 C ARG A 75 -0.777 6.112 2.260 1.00 0.00 C ATOM 1160 O ARG A 75 -0.841 5.712 1.098 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.588 8.381 1.589 1.00 0.00 C ATOM 1162 CG ARG A 75 -2.390 9.626 1.932 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.880 9.399 1.737 1.00 0.00 C ATOM 1164 NE ARG A 75 -4.657 10.606 2.005 1.00 0.00 N ATOM 1165 CZ ARG A 75 -4.638 11.681 1.225 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -3.886 11.698 0.133 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -5.373 12.741 1.535 1.00 0.00 N ATOM 0 H ARG A 75 -0.291 8.641 3.752 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.585 7.034 2.936 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.565 8.672 1.352 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.006 7.926 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.197 9.911 2.966 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.062 10.456 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.066 9.068 0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.214 8.599 2.397 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.247 10.625 2.837 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.321 10.884 -0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.873 12.525 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.954 12.731 2.373 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.357 13.566 0.935 1.00 0.00 H new ATOM 1181 N SER A 76 -0.035 5.517 3.190 1.00 0.00 N ATOM 1182 CA SER A 76 0.767 4.337 2.888 1.00 0.00 C ATOM 1183 C SER A 76 0.935 3.464 4.128 1.00 0.00 C ATOM 1184 O SER A 76 1.354 3.938 5.183 1.00 0.00 O ATOM 1185 CB SER A 76 2.139 4.750 2.352 1.00 0.00 C ATOM 1186 OG SER A 76 2.930 5.336 3.372 1.00 0.00 O ATOM 0 H SER A 76 0.027 5.833 4.158 1.00 0.00 H new ATOM 0 HA SER A 76 0.246 3.759 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.652 3.878 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.015 5.457 1.532 1.00 0.00 H new ATOM 0 HG SER A 76 2.615 5.028 4.248 1.00 0.00 H new ATOM 1192 N ALA A 77 0.604 2.184 3.991 1.00 0.00 N ATOM 1193 CA ALA A 77 0.719 1.242 5.097 1.00 0.00 C ATOM 1194 C ALA A 77 1.678 0.107 4.755 1.00 0.00 C ATOM 1195 O ALA A 77 1.870 -0.225 3.585 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.650 0.687 5.463 1.00 0.00 C ATOM 0 H ALA A 77 0.254 1.776 3.124 1.00 0.00 H new ATOM 0 HA ALA A 77 1.123 1.777 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.549 -0.015 6.291 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.307 1.505 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.077 0.173 4.601 1.00 0.00 H new ATOM 1202 N VAL A 78 2.278 -0.485 5.782 1.00 0.00 N ATOM 1203 CA VAL A 78 3.217 -1.584 5.590 1.00 0.00 C ATOM 1204 C VAL A 78 2.725 -2.854 6.275 1.00 0.00 C ATOM 1205 O VAL A 78 2.578 -2.896 7.498 1.00 0.00 O ATOM 1206 CB VAL A 78 4.614 -1.230 6.132 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.581 -2.383 5.910 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.131 0.044 5.480 1.00 0.00 C ATOM 0 H VAL A 78 2.131 -0.222 6.756 1.00 0.00 H new ATOM 0 HA VAL A 78 3.285 -1.757 4.516 1.00 0.00 H new ATOM 0 HB VAL A 78 4.535 -1.055 7.205 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.563 -2.114 6.299 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.215 -3.270 6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.659 -2.592 4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.119 0.279 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.196 -0.100 4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.449 0.866 5.696 1.00 0.00 H new ATOM 1218 N LEU A 79 2.471 -3.888 5.481 1.00 0.00 N ATOM 1219 CA LEU A 79 1.996 -5.161 6.011 1.00 0.00 C ATOM 1220 C LEU A 79 3.161 -6.105 6.288 1.00 0.00 C ATOM 1221 O LEU A 79 3.838 -6.561 5.367 1.00 0.00 O ATOM 1222 CB LEU A 79 1.020 -5.813 5.028 1.00 0.00 C ATOM 1223 CG LEU A 79 -0.076 -4.905 4.470 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.772 -5.571 3.293 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -1.081 -4.552 5.556 1.00 0.00 C ATOM 0 H LEU A 79 2.586 -3.870 4.468 1.00 0.00 H new ATOM 0 HA LEU A 79 1.480 -4.965 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.592 -6.215 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.545 -6.659 5.525 1.00 0.00 H new ATOM 0 HG LEU A 79 0.387 -3.983 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.549 -4.910 2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.045 -5.772 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.222 -6.509 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.854 -3.905 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.539 -5.464 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.572 -4.033 6.368 1.00 0.00 H new ATOM 1237 N VAL A 80 3.389 -6.396 7.565 1.00 0.00 N ATOM 1238 CA VAL A 80 4.471 -7.288 7.965 1.00 0.00 C ATOM 1239 C VAL A 80 3.953 -8.700 8.219 1.00 0.00 C ATOM 1240 O VAL A 80 2.759 -8.965 8.094 1.00 0.00 O ATOM 1241 CB VAL A 80 5.180 -6.778 9.233 1.00 0.00 C ATOM 1242 CG1 VAL A 80 5.849 -5.437 8.968 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.195 -6.672 10.388 1.00 0.00 C ATOM 0 H VAL A 80 2.839 -6.027 8.340 1.00 0.00 H new ATOM 0 HA VAL A 80 5.185 -7.308 7.142 1.00 0.00 H new ATOM 0 HB VAL A 80 5.953 -7.495 9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.345 -5.092 9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.585 -5.549 8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.097 -4.708 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.713 -6.310 11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.398 -5.977 10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.767 -7.653 10.592 1.00 0.00 H new ATOM 1253 N ASN A 81 4.862 -9.602 8.576 1.00 0.00 N ATOM 1254 CA ASN A 81 4.497 -10.987 8.848 1.00 0.00 C ATOM 1255 C ASN A 81 3.770 -11.602 7.656 1.00 0.00 C ATOM 1256 O ASN A 81 2.692 -12.180 7.803 1.00 0.00 O ATOM 1257 CB ASN A 81 3.615 -11.069 10.095 1.00 0.00 C ATOM 1258 CG ASN A 81 4.072 -10.124 11.190 1.00 0.00 C ATOM 1259 OD1 ASN A 81 3.277 -9.692 12.024 1.00 0.00 O ATOM 1260 ND2 ASN A 81 5.360 -9.798 11.190 1.00 0.00 N ATOM 0 H ASN A 81 5.856 -9.398 8.683 1.00 0.00 H new ATOM 0 HA ASN A 81 5.414 -11.550 9.022 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.585 -10.836 9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.621 -12.091 10.475 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.726 -9.165 11.901 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.983 -10.181 10.479 1.00 0.00 H new ATOM 1267 N LEU A 82 4.367 -11.475 6.476 1.00 0.00 N ATOM 1268 CA LEU A 82 3.777 -12.019 5.257 1.00 0.00 C ATOM 1269 C LEU A 82 4.538 -13.254 4.788 1.00 0.00 C ATOM 1270 O LEU A 82 5.749 -13.362 4.983 1.00 0.00 O ATOM 1271 CB LEU A 82 3.770 -10.959 4.154 1.00 0.00 C ATOM 1272 CG LEU A 82 3.046 -9.653 4.482 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.267 -8.629 3.380 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.559 -9.904 4.689 1.00 0.00 C ATOM 0 H LEU A 82 5.259 -11.000 6.337 1.00 0.00 H new ATOM 0 HA LEU A 82 2.750 -12.311 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.803 -10.724 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.311 -11.392 3.265 1.00 0.00 H new ATOM 0 HG LEU A 82 3.459 -9.254 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.744 -7.706 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.333 -8.426 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.882 -9.019 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.060 -8.963 4.922 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.131 -10.326 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.419 -10.602 5.514 1.00 0.00 H new ATOM 1286 N LYS A 83 3.822 -14.183 4.165 1.00 0.00 N ATOM 1287 CA LYS A 83 4.429 -15.410 3.663 1.00 0.00 C ATOM 1288 C LYS A 83 5.269 -15.132 2.420 1.00 0.00 C ATOM 1289 O LYS A 83 4.969 -14.223 1.646 1.00 0.00 O ATOM 1290 CB LYS A 83 3.348 -16.444 3.341 1.00 0.00 C ATOM 1291 CG LYS A 83 3.855 -17.876 3.349 1.00 0.00 C ATOM 1292 CD LYS A 83 2.733 -18.866 3.083 1.00 0.00 C ATOM 1293 CE LYS A 83 3.008 -20.209 3.741 1.00 0.00 C ATOM 1294 NZ LYS A 83 2.468 -20.269 5.127 1.00 0.00 N ATOM 0 H LYS A 83 2.819 -14.110 3.995 1.00 0.00 H new ATOM 0 HA LYS A 83 5.082 -15.807 4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.539 -16.350 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.925 -16.222 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.631 -17.992 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.314 -18.095 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.793 -18.462 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.615 -19.004 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.563 -21.004 3.143 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.083 -20.390 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.676 -21.200 5.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.911 -19.527 5.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.439 -20.122 5.105 1.00 0.00 H new ATOM 1308 N LYS A 84 6.321 -15.922 2.234 1.00 0.00 N ATOM 1309 CA LYS A 84 7.203 -15.764 1.084 1.00 0.00 C ATOM 1310 C LYS A 84 6.816 -16.726 -0.035 1.00 0.00 C ATOM 1311 O LYS A 84 6.566 -17.906 0.207 1.00 0.00 O ATOM 1312 CB LYS A 84 8.658 -16.001 1.494 1.00 0.00 C ATOM 1313 CG LYS A 84 8.924 -17.407 2.005 1.00 0.00 C ATOM 1314 CD LYS A 84 10.413 -17.704 2.069 1.00 0.00 C ATOM 1315 CE LYS A 84 11.084 -16.949 3.206 1.00 0.00 C ATOM 1316 NZ LYS A 84 12.340 -17.614 3.649 1.00 0.00 N ATOM 0 H LYS A 84 6.584 -16.679 2.866 1.00 0.00 H new ATOM 0 HA LYS A 84 7.098 -14.744 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.304 -15.806 0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.930 -15.284 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.486 -17.524 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.435 -18.131 1.353 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.566 -18.775 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.881 -17.430 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.306 -15.931 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.396 -16.875 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 12.767 -17.069 4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.125 -18.576 3.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.007 -17.662 2.852 1.00 0.00 H new ATOM 1330 N GLY A 85 6.770 -16.213 -1.261 1.00 0.00 N ATOM 1331 CA GLY A 85 6.414 -17.041 -2.398 1.00 0.00 C ATOM 1332 C GLY A 85 4.925 -17.317 -2.472 1.00 0.00 C ATOM 1333 O GLY A 85 4.502 -18.472 -2.529 1.00 0.00 O ATOM 0 H GLY A 85 6.973 -15.239 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.735 -16.549 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.953 -17.987 -2.338 1.00 0.00 H new ATOM 1337 N VAL A 86 4.127 -16.254 -2.468 1.00 0.00 N ATOM 1338 CA VAL A 86 2.676 -16.387 -2.534 1.00 0.00 C ATOM 1339 C VAL A 86 2.012 -15.040 -2.797 1.00 0.00 C ATOM 1340 O VAL A 86 2.438 -14.011 -2.271 1.00 0.00 O ATOM 1341 CB VAL A 86 2.107 -16.981 -1.231 1.00 0.00 C ATOM 1342 CG1 VAL A 86 2.597 -16.192 -0.026 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.587 -17.009 -1.278 1.00 0.00 C ATOM 0 H VAL A 86 4.461 -15.291 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 86 2.458 -17.064 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 86 2.464 -18.006 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.185 -16.626 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.686 -16.229 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.272 -15.155 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.202 -17.431 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.208 -15.994 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.260 -17.621 -2.118 1.00 0.00 H new ATOM 1353 N THR A 87 0.966 -15.052 -3.617 1.00 0.00 N ATOM 1354 CA THR A 87 0.242 -13.832 -3.952 1.00 0.00 C ATOM 1355 C THR A 87 -0.629 -13.373 -2.789 1.00 0.00 C ATOM 1356 O THR A 87 -1.168 -14.191 -2.043 1.00 0.00 O ATOM 1357 CB THR A 87 -0.644 -14.028 -5.197 1.00 0.00 C ATOM 1358 OG1 THR A 87 0.003 -14.906 -6.125 1.00 0.00 O ATOM 1359 CG2 THR A 87 -0.935 -12.695 -5.869 1.00 0.00 C ATOM 0 H THR A 87 0.601 -15.894 -4.062 1.00 0.00 H new ATOM 0 HA THR A 87 0.990 -13.069 -4.165 1.00 0.00 H new ATOM 0 HB THR A 87 -1.588 -14.469 -4.879 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.567 -15.027 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.562 -12.859 -6.745 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.454 -12.040 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.002 -12.230 -6.175 1.00 0.00 H new ATOM 1367 N TYR A 88 -0.764 -12.060 -2.640 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.570 -11.491 -1.565 1.00 0.00 C ATOM 1369 C TYR A 88 -2.430 -10.341 -2.079 1.00 0.00 C ATOM 1370 O TYR A 88 -1.917 -9.362 -2.620 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.670 -11.002 -0.429 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.319 -12.078 0.573 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.215 -12.444 1.570 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.907 -12.729 0.523 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.899 -13.427 2.488 1.00 0.00 C ATOM 1376 CE2 TYR A 88 1.231 -13.713 1.436 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.325 -14.059 2.417 1.00 0.00 C ATOM 1378 OH TYR A 88 0.644 -15.038 3.329 1.00 0.00 O ATOM 0 H TYR A 88 -0.326 -11.369 -3.250 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.229 -12.272 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.250 -10.599 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.167 -10.183 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.175 -11.952 1.628 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.619 -12.461 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.607 -13.699 3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.189 -14.209 1.382 1.00 0.00 H new ATOM 0 HH TYR A 88 0.797 -15.885 2.860 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.742 -10.469 -1.905 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.674 -9.440 -2.352 1.00 0.00 C ATOM 1390 C GLU A 89 -4.869 -8.378 -1.274 1.00 0.00 C ATOM 1391 O GLU A 89 -5.210 -8.691 -0.133 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.022 -10.066 -2.716 1.00 0.00 C ATOM 1393 CG GLU A 89 -6.965 -9.110 -3.426 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.150 -9.818 -4.055 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.863 -10.540 -3.327 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -8.364 -9.650 -5.274 1.00 0.00 O ATOM 0 H GLU A 89 -4.183 -11.273 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.252 -8.962 -3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.850 -10.933 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.502 -10.428 -1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.326 -8.367 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.416 -8.571 -4.199 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.649 -7.121 -1.644 1.00 0.00 N ATOM 1404 CA ILE A 90 -4.801 -6.012 -0.710 1.00 0.00 C ATOM 1405 C ILE A 90 -5.566 -4.857 -1.348 1.00 0.00 C ATOM 1406 O ILE A 90 -5.450 -4.608 -2.548 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.435 -5.499 -0.219 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.514 -6.675 0.115 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.612 -4.598 0.994 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.043 -6.332 0.031 1.00 0.00 C ATOM 0 H ILE A 90 -4.365 -6.845 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.365 -6.392 0.142 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.975 -4.916 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.740 -7.029 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.727 -7.498 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.637 -4.243 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.236 -3.745 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.090 -5.159 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.449 -7.212 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.802 -6.007 -0.981 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.816 -5.530 0.733 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.348 -4.153 -0.536 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.130 -3.021 -1.018 1.00 0.00 C ATOM 1424 C LYS A 91 -7.228 -1.934 0.047 1.00 0.00 C ATOM 1425 O LYS A 91 -7.479 -2.219 1.218 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.532 -3.480 -1.424 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.309 -4.135 -0.295 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.077 -5.636 -0.256 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.039 -6.324 0.701 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.360 -6.589 0.065 1.00 0.00 N ATOM 0 H LYS A 91 -6.457 -4.347 0.459 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.623 -2.606 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.094 -2.621 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.449 -4.183 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.010 -3.695 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.373 -3.933 -0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.199 -6.050 -1.257 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.051 -5.839 0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.604 -7.264 1.040 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.180 -5.701 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.987 -7.058 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.787 -5.690 -0.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.229 -7.204 -0.763 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.030 -0.686 -0.367 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.099 0.444 0.552 1.00 0.00 C ATOM 1446 C VAL A 92 -8.485 1.078 0.541 1.00 0.00 C ATOM 1447 O VAL A 92 -9.060 1.319 -0.521 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.052 1.518 0.200 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.284 2.778 1.019 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -4.645 0.982 0.417 1.00 0.00 C ATOM 0 H VAL A 92 -6.821 -0.432 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.889 0.055 1.548 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.159 1.774 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.535 3.525 0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.278 3.171 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.205 2.542 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.918 1.754 0.163 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.521 0.697 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.485 0.111 -0.218 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.017 1.345 1.729 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.337 1.951 1.856 1.00 0.00 C ATOM 1462 C ARG A 93 -10.428 2.797 3.122 1.00 0.00 C ATOM 1463 O ARG A 93 -10.013 2.384 4.205 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.419 0.869 1.875 1.00 0.00 C ATOM 1465 CG ARG A 93 -11.504 0.116 3.192 1.00 0.00 C ATOM 1466 CD ARG A 93 -12.660 -0.873 3.195 1.00 0.00 C ATOM 1467 NE ARG A 93 -12.301 -2.136 2.556 1.00 0.00 N ATOM 1468 CZ ARG A 93 -13.167 -3.117 2.331 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -14.436 -2.982 2.691 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -12.765 -4.237 1.743 1.00 0.00 N ATOM 0 H ARG A 93 -8.554 1.151 2.617 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.495 2.599 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.385 1.329 1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.224 0.158 1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -10.569 -0.415 3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.628 0.825 4.010 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -12.973 -1.062 4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -13.513 -0.435 2.678 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.332 -2.272 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.749 -2.123 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.099 -3.738 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.790 -4.345 1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.431 -4.990 1.571 1.00 0.00 H new ATOM 1484 N PRO A 94 -10.982 4.011 2.985 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.140 4.940 4.107 1.00 0.00 C ATOM 1486 C PRO A 94 -12.187 4.467 5.109 1.00 0.00 C ATOM 1487 O PRO A 94 -12.963 3.554 4.826 1.00 0.00 O ATOM 1488 CB PRO A 94 -11.593 6.237 3.432 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.242 5.798 2.165 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.498 4.568 1.724 1.00 0.00 C ATOM 0 HA PRO A 94 -10.221 5.042 4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.290 6.789 4.063 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.748 6.897 3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.298 5.580 2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.188 6.580 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.154 3.864 1.212 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -10.691 4.812 1.033 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.204 5.094 6.280 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.156 4.736 7.325 1.00 0.00 C ATOM 1500 C TYR A 95 -13.109 5.740 8.472 1.00 0.00 C ATOM 1501 O TYR A 95 -12.038 6.198 8.869 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.862 3.330 7.851 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.833 3.301 8.959 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.165 3.689 10.252 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.530 2.886 8.714 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.228 3.665 11.267 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.588 2.858 9.723 1.00 0.00 C ATOM 1508 CZ TYR A 95 -9.941 3.248 10.998 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.005 3.222 12.006 1.00 0.00 O ATOM 0 H TYR A 95 -11.569 5.853 6.529 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.156 4.753 6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.789 2.886 8.215 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.513 2.708 7.026 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.172 4.015 10.467 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.249 2.580 7.717 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.502 3.971 12.266 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.580 2.532 9.515 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.150 2.903 11.650 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.280 6.078 9.002 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.375 7.029 10.104 1.00 0.00 C ATOM 1521 C PHE A 96 -14.464 6.303 11.443 1.00 0.00 C ATOM 1522 O PHE A 96 -13.495 6.252 12.199 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.595 7.935 9.920 1.00 0.00 C ATOM 1524 CG PHE A 96 -15.732 8.979 10.990 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -14.646 9.755 11.363 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -16.947 9.185 11.624 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -14.769 10.718 12.347 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.076 10.147 12.609 1.00 0.00 C ATOM 1529 CZ PHE A 96 -15.986 10.913 12.972 1.00 0.00 C ATOM 0 H PHE A 96 -15.176 5.708 8.686 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.473 7.641 10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.529 8.427 8.950 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.495 7.321 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.692 9.606 10.879 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -17.803 8.588 11.346 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -13.915 11.317 12.627 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.029 10.299 13.094 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.084 11.663 13.743 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.635 5.742 11.728 1.00 0.00 N ATOM 1540 CA ASN A 97 -15.852 5.019 12.976 1.00 0.00 C ATOM 1541 C ASN A 97 -15.940 3.517 12.726 1.00 0.00 C ATOM 1542 O ASN A 97 -15.018 2.769 13.052 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.130 5.510 13.658 1.00 0.00 C ATOM 1544 CG ASN A 97 -16.992 6.919 14.201 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -17.833 7.780 13.945 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -15.926 7.160 14.956 1.00 0.00 N ATOM 0 H ASN A 97 -16.447 5.774 11.112 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.002 5.211 13.631 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.954 5.478 12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.386 4.833 14.473 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -15.779 8.090 15.350 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.254 6.416 15.142 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.054 3.083 12.146 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.262 1.670 11.853 1.00 0.00 C ATOM 1555 C GLU A 98 -17.311 1.428 10.347 1.00 0.00 C ATOM 1556 O GLU A 98 -16.660 0.518 9.831 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.557 1.176 12.502 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.216 0.032 11.751 1.00 0.00 C ATOM 1559 CD GLU A 98 -18.410 -1.251 11.816 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -17.903 -1.578 12.909 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -18.287 -1.927 10.774 1.00 0.00 O ATOM 0 H GLU A 98 -17.826 3.689 11.870 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.421 1.113 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.343 0.855 13.521 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.259 2.007 12.570 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -20.208 -0.146 12.165 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.353 0.318 10.708 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.087 2.248 9.647 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.223 2.123 8.200 1.00 0.00 C ATOM 1570 C PHE A 99 -16.893 2.397 7.503 1.00 0.00 C ATOM 1571 O PHE A 99 -15.960 2.923 8.110 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.291 3.089 7.682 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.219 4.453 8.306 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -19.786 4.693 9.547 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.585 5.496 7.650 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -19.722 5.947 10.124 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.517 6.753 8.223 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.087 6.979 9.460 1.00 0.00 C ATOM 0 H PHE A 99 -18.632 3.006 10.058 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.527 1.101 7.976 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.188 3.187 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.277 2.663 7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.284 3.890 10.070 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.139 5.326 6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.168 6.120 11.092 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.018 7.557 7.703 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.037 7.961 9.908 1.00 0.00 H new ATOM 1588 N GLN A 100 -16.815 2.035 6.227 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.600 2.239 5.448 1.00 0.00 C ATOM 1590 C GLN A 100 -15.932 2.563 3.995 1.00 0.00 C ATOM 1591 O GLN A 100 -16.559 1.766 3.299 1.00 0.00 O ATOM 1592 CB GLN A 100 -14.710 0.997 5.515 1.00 0.00 C ATOM 1593 CG GLN A 100 -15.397 -0.270 5.033 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.668 -0.574 5.801 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -17.764 -0.198 5.384 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -16.529 -1.258 6.931 1.00 0.00 N ATOM 0 H GLN A 100 -17.579 1.599 5.711 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.063 3.085 5.876 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -13.817 1.167 4.914 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.379 0.852 6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.633 -0.170 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.709 -1.110 5.129 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.602 -1.550 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.350 -1.491 7.490 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.507 3.739 3.544 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.770 4.148 2.176 1.00 0.00 C ATOM 1607 C GLY A 101 -15.485 3.044 1.177 1.00 0.00 C ATOM 1608 O GLY A 101 -14.954 1.994 1.536 1.00 0.00 O ATOM 0 H GLY A 101 -14.985 4.416 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.812 4.456 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.159 5.018 1.936 1.00 0.00 H new ATOM 1612 N MET A 102 -15.842 3.281 -0.081 1.00 0.00 N ATOM 1613 CA MET A 102 -15.622 2.298 -1.136 1.00 0.00 C ATOM 1614 C MET A 102 -14.170 1.831 -1.150 1.00 0.00 C ATOM 1615 O MET A 102 -13.251 2.625 -0.945 1.00 0.00 O ATOM 1616 CB MET A 102 -15.994 2.888 -2.498 1.00 0.00 C ATOM 1617 CG MET A 102 -17.488 3.096 -2.683 1.00 0.00 C ATOM 1618 SD MET A 102 -17.866 4.479 -3.777 1.00 0.00 S ATOM 1619 CE MET A 102 -16.856 4.071 -5.199 1.00 0.00 C ATOM 0 H MET A 102 -16.285 4.145 -0.395 1.00 0.00 H new ATOM 0 HA MET A 102 -16.260 1.437 -0.935 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.484 3.844 -2.622 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.628 2.227 -3.283 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.930 2.186 -3.088 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.950 3.270 -1.711 1.00 0.00 H new ATOM 0 HE1 MET A 102 -17.149 4.694 -6.044 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.807 4.249 -4.963 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.997 3.021 -5.456 1.00 0.00 H new ATOM 1629 N ASP A 103 -13.971 0.540 -1.391 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.630 -0.032 -1.433 1.00 0.00 C ATOM 1631 C ASP A 103 -11.999 0.162 -2.808 1.00 0.00 C ATOM 1632 O ASP A 103 -12.688 0.133 -3.828 1.00 0.00 O ATOM 1633 CB ASP A 103 -12.677 -1.520 -1.084 1.00 0.00 C ATOM 1634 CG ASP A 103 -13.649 -2.289 -1.957 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -13.242 -2.730 -3.053 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -14.816 -2.452 -1.544 1.00 0.00 O ATOM 0 H ASP A 103 -14.721 -0.130 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.017 0.487 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.680 -1.947 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.962 -1.636 -0.038 1.00 0.00 H new ATOM 1641 N SER A 104 -10.684 0.359 -2.827 1.00 0.00 N ATOM 1642 CA SER A 104 -9.961 0.562 -4.077 1.00 0.00 C ATOM 1643 C SER A 104 -9.791 -0.755 -4.827 1.00 0.00 C ATOM 1644 O SER A 104 -10.043 -1.829 -4.281 1.00 0.00 O ATOM 1645 CB SER A 104 -8.591 1.185 -3.802 1.00 0.00 C ATOM 1646 OG SER A 104 -7.705 0.237 -3.231 1.00 0.00 O ATOM 0 H SER A 104 -10.099 0.382 -1.992 1.00 0.00 H new ATOM 0 HA SER A 104 -10.544 1.241 -4.699 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.169 1.568 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.703 2.035 -3.128 1.00 0.00 H new ATOM 0 HG SER A 104 -8.218 -0.423 -2.719 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.363 -0.664 -6.082 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.161 -1.848 -6.908 1.00 0.00 C ATOM 1654 C GLU A 105 -8.155 -2.797 -6.262 1.00 0.00 C ATOM 1655 O GLU A 105 -6.947 -2.572 -6.322 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.678 -1.448 -8.304 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.679 -0.606 -9.077 1.00 0.00 C ATOM 1658 CD GLU A 105 -9.198 -0.263 -10.473 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -9.387 -1.092 -11.387 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -8.633 0.837 -10.651 1.00 0.00 O ATOM 0 H GLU A 105 -9.149 0.217 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.117 -2.365 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.744 -0.893 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.457 -2.350 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.625 -1.144 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.874 0.315 -8.528 1.00 0.00 H new ATOM 1667 N SER A 106 -8.664 -3.858 -5.644 1.00 0.00 N ATOM 1668 CA SER A 106 -7.811 -4.839 -4.983 1.00 0.00 C ATOM 1669 C SER A 106 -6.649 -5.243 -5.884 1.00 0.00 C ATOM 1670 O SER A 106 -6.849 -5.718 -7.002 1.00 0.00 O ATOM 1671 CB SER A 106 -8.626 -6.075 -4.596 1.00 0.00 C ATOM 1672 OG SER A 106 -9.354 -6.574 -5.705 1.00 0.00 O ATOM 0 H SER A 106 -9.662 -4.060 -5.587 1.00 0.00 H new ATOM 0 HA SER A 106 -7.405 -4.383 -4.080 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.960 -6.850 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.314 -5.823 -3.789 1.00 0.00 H new ATOM 0 HG SER A 106 -8.843 -6.421 -6.527 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.431 -5.052 -5.389 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.233 -5.397 -6.146 1.00 0.00 C ATOM 1680 C LYS A 107 -3.539 -6.613 -5.542 1.00 0.00 C ATOM 1681 O LYS A 107 -3.342 -6.690 -4.329 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.268 -4.210 -6.181 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.687 -3.113 -7.144 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.366 -3.481 -8.583 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.516 -2.285 -9.511 1.00 0.00 C ATOM 1686 NZ LYS A 107 -2.955 -2.558 -10.863 1.00 0.00 N ATOM 0 H LYS A 107 -5.247 -4.660 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.535 -5.642 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.186 -3.790 -5.179 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.276 -4.567 -6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.757 -2.929 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.179 -2.185 -6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.347 -3.864 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.028 -4.283 -8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.571 -2.025 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.011 -1.422 -9.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.077 -1.719 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.943 -2.781 -10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.453 -3.365 -11.289 1.00 0.00 H new ATOM 1700 N THR A 108 -3.168 -7.562 -6.396 1.00 0.00 N ATOM 1701 CA THR A 108 -2.495 -8.774 -5.947 1.00 0.00 C ATOM 1702 C THR A 108 -0.980 -8.607 -5.979 1.00 0.00 C ATOM 1703 O THR A 108 -0.407 -8.245 -7.006 1.00 0.00 O ATOM 1704 CB THR A 108 -2.884 -9.987 -6.813 1.00 0.00 C ATOM 1705 OG1 THR A 108 -2.985 -9.596 -8.187 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.207 -10.580 -6.351 1.00 0.00 C ATOM 0 H THR A 108 -3.323 -7.514 -7.403 1.00 0.00 H new ATOM 0 HA THR A 108 -2.817 -8.951 -4.921 1.00 0.00 H new ATOM 0 HB THR A 108 -2.108 -10.745 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.231 -10.373 -8.731 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.461 -11.435 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.118 -10.903 -5.314 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.991 -9.827 -6.430 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.336 -8.872 -4.847 1.00 0.00 N ATOM 1715 CA VAL A 109 1.114 -8.752 -4.746 1.00 0.00 C ATOM 1716 C VAL A 109 1.773 -10.123 -4.645 1.00 0.00 C ATOM 1717 O VAL A 109 1.403 -10.941 -3.802 1.00 0.00 O ATOM 1718 CB VAL A 109 1.524 -7.907 -3.525 1.00 0.00 C ATOM 1719 CG1 VAL A 109 1.178 -8.632 -2.233 1.00 0.00 C ATOM 1720 CG2 VAL A 109 3.007 -7.576 -3.581 1.00 0.00 C ATOM 0 H VAL A 109 -0.795 -9.171 -3.987 1.00 0.00 H new ATOM 0 HA VAL A 109 1.454 -8.254 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 109 0.966 -6.971 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.475 -8.020 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.104 -8.812 -2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.707 -9.584 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.280 -6.979 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.586 -8.499 -3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.220 -7.012 -4.489 1.00 0.00 H new ATOM 1730 N ARG A 110 2.752 -10.368 -5.510 1.00 0.00 N ATOM 1731 CA ARG A 110 3.463 -11.641 -5.519 1.00 0.00 C ATOM 1732 C ARG A 110 4.786 -11.530 -4.767 1.00 0.00 C ATOM 1733 O ARG A 110 5.759 -10.974 -5.278 1.00 0.00 O ATOM 1734 CB ARG A 110 3.718 -12.097 -6.957 1.00 0.00 C ATOM 1735 CG ARG A 110 3.922 -13.597 -7.093 1.00 0.00 C ATOM 1736 CD ARG A 110 4.135 -14.001 -8.543 1.00 0.00 C ATOM 1737 NE ARG A 110 4.520 -15.404 -8.670 1.00 0.00 N ATOM 1738 CZ ARG A 110 4.811 -15.985 -9.828 1.00 0.00 C ATOM 1739 NH1 ARG A 110 4.762 -15.286 -10.954 1.00 0.00 N ATOM 1740 NH2 ARG A 110 5.153 -17.266 -9.862 1.00 0.00 N ATOM 0 H ARG A 110 3.071 -9.702 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 110 2.840 -12.380 -5.016 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.876 -11.795 -7.580 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.599 -11.583 -7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.783 -13.904 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.055 -14.121 -6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.219 -13.824 -9.107 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.908 -13.372 -8.985 1.00 0.00 H new ATOM 0 HE ARG A 110 4.568 -15.969 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.500 -14.300 -10.931 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.986 -15.734 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.193 -17.806 -8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.376 -17.711 -10.752 1.00 0.00 H new ATOM 1754 N THR A 111 4.815 -12.063 -3.549 1.00 0.00 N ATOM 1755 CA THR A 111 6.018 -12.022 -2.726 1.00 0.00 C ATOM 1756 C THR A 111 7.047 -13.039 -3.206 1.00 0.00 C ATOM 1757 O THR A 111 6.902 -14.240 -2.979 1.00 0.00 O ATOM 1758 CB THR A 111 5.694 -12.297 -1.245 1.00 0.00 C ATOM 1759 OG1 THR A 111 5.216 -13.637 -1.089 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.651 -11.317 -0.729 1.00 0.00 C ATOM 0 H THR A 111 4.020 -12.528 -3.111 1.00 0.00 H new ATOM 0 HA THR A 111 6.432 -11.018 -2.820 1.00 0.00 H new ATOM 0 HB THR A 111 6.608 -12.169 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.130 -13.845 -0.135 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.438 -11.530 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.030 -10.299 -0.822 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.736 -11.418 -1.313 1.00 0.00 H new ATOM 1768 N THR A 112 8.089 -12.550 -3.872 1.00 0.00 N ATOM 1769 CA THR A 112 9.143 -13.416 -4.385 1.00 0.00 C ATOM 1770 C THR A 112 9.565 -14.445 -3.342 1.00 0.00 C ATOM 1771 O THR A 112 9.177 -14.357 -2.178 1.00 0.00 O ATOM 1772 CB THR A 112 10.378 -12.602 -4.816 1.00 0.00 C ATOM 1773 OG1 THR A 112 11.302 -13.446 -5.513 1.00 0.00 O ATOM 1774 CG2 THR A 112 11.064 -11.979 -3.610 1.00 0.00 C ATOM 0 H THR A 112 8.225 -11.558 -4.069 1.00 0.00 H new ATOM 0 HA THR A 112 8.735 -13.931 -5.255 1.00 0.00 H new ATOM 0 HB THR A 112 10.045 -11.802 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 112 12.083 -12.921 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.933 -11.409 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.368 -11.315 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.384 -12.766 -2.927 1.00 0.00 H new ATOM 1782 N GLU A 113 10.363 -15.419 -3.768 1.00 0.00 N ATOM 1783 CA GLU A 113 10.837 -16.465 -2.870 1.00 0.00 C ATOM 1784 C GLU A 113 12.246 -16.157 -2.372 1.00 0.00 C ATOM 1785 O GLU A 113 12.555 -16.348 -1.196 1.00 0.00 O ATOM 1786 CB GLU A 113 10.819 -17.822 -3.576 1.00 0.00 C ATOM 1787 CG GLU A 113 9.421 -18.322 -3.899 1.00 0.00 C ATOM 1788 CD GLU A 113 9.429 -19.667 -4.599 1.00 0.00 C ATOM 1789 OE1 GLU A 113 9.606 -19.693 -5.835 1.00 0.00 O ATOM 1790 OE2 GLU A 113 9.259 -20.695 -3.910 1.00 0.00 O ATOM 0 H GLU A 113 10.695 -15.505 -4.729 1.00 0.00 H new ATOM 0 HA GLU A 113 10.167 -16.502 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.392 -17.749 -4.500 1.00 0.00 H new ATOM 0 HB3 GLU A 113 11.322 -18.556 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.845 -18.400 -2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.915 -17.591 -4.530 1.00 0.00 H new ATOM 1797 N GLU A 114 13.096 -15.681 -3.276 1.00 0.00 N ATOM 1798 CA GLU A 114 14.472 -15.348 -2.929 1.00 0.00 C ATOM 1799 C GLU A 114 14.582 -13.896 -2.471 1.00 0.00 C ATOM 1800 O GLU A 114 14.243 -12.973 -3.212 1.00 0.00 O ATOM 1801 CB GLU A 114 15.396 -15.588 -4.125 1.00 0.00 C ATOM 1802 CG GLU A 114 15.096 -14.692 -5.315 1.00 0.00 C ATOM 1803 CD GLU A 114 15.709 -15.207 -6.603 1.00 0.00 C ATOM 1804 OE1 GLU A 114 16.931 -15.463 -6.618 1.00 0.00 O ATOM 1805 OE2 GLU A 114 14.965 -15.355 -7.595 1.00 0.00 O ATOM 0 H GLU A 114 12.856 -15.517 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 114 14.778 -15.995 -2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.428 -15.430 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.312 -16.630 -4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.016 -14.609 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.472 -13.689 -5.114 1.00 0.00 H new ATOM 1812 N SER A 115 15.058 -13.703 -1.245 1.00 0.00 N ATOM 1813 CA SER A 115 15.209 -12.365 -0.686 1.00 0.00 C ATOM 1814 C SER A 115 16.297 -11.588 -1.421 1.00 0.00 C ATOM 1815 O SER A 115 17.398 -12.094 -1.637 1.00 0.00 O ATOM 1816 CB SER A 115 15.543 -12.447 0.805 1.00 0.00 C ATOM 1817 OG SER A 115 14.382 -12.704 1.575 1.00 0.00 O ATOM 0 H SER A 115 15.346 -14.456 -0.620 1.00 0.00 H new ATOM 0 HA SER A 115 14.263 -11.837 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 115 16.277 -13.235 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 115 15.999 -11.512 1.130 1.00 0.00 H new ATOM 0 HG SER A 115 14.623 -12.753 2.524 1.00 0.00 H new ATOM 1823 N GLY A 116 15.980 -10.355 -1.802 1.00 0.00 N ATOM 1824 CA GLY A 116 16.940 -9.527 -2.509 1.00 0.00 C ATOM 1825 C GLY A 116 17.768 -8.670 -1.572 1.00 0.00 C ATOM 1826 O GLY A 116 17.611 -8.717 -0.352 1.00 0.00 O ATOM 0 H GLY A 116 15.076 -9.914 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 116 17.603 -10.164 -3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.412 -8.884 -3.213 1.00 0.00 H new ATOM 1830 N PRO A 117 18.676 -7.866 -2.145 1.00 0.00 N ATOM 1831 CA PRO A 117 19.550 -6.981 -1.371 1.00 0.00 C ATOM 1832 C PRO A 117 18.787 -5.826 -0.732 1.00 0.00 C ATOM 1833 O PRO A 117 18.600 -4.776 -1.347 1.00 0.00 O ATOM 1834 CB PRO A 117 20.538 -6.455 -2.415 1.00 0.00 C ATOM 1835 CG PRO A 117 19.807 -6.553 -3.710 1.00 0.00 C ATOM 1836 CD PRO A 117 18.917 -7.759 -3.594 1.00 0.00 C ATOM 0 HA PRO A 117 20.024 -7.503 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 117 20.830 -5.427 -2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 117 21.452 -7.049 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 117 19.222 -5.653 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 117 20.502 -6.660 -4.543 1.00 0.00 H new ATOM 0 HD2 PRO A 117 17.987 -7.627 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 117 19.399 -8.654 -3.989 1.00 0.00 H new ATOM 1844 N SER A 118 18.348 -6.026 0.507 1.00 0.00 N ATOM 1845 CA SER A 118 17.601 -5.002 1.228 1.00 0.00 C ATOM 1846 C SER A 118 18.472 -4.345 2.294 1.00 0.00 C ATOM 1847 O SER A 118 19.367 -4.976 2.857 1.00 0.00 O ATOM 1848 CB SER A 118 16.355 -5.610 1.875 1.00 0.00 C ATOM 1849 OG SER A 118 15.429 -4.603 2.243 1.00 0.00 O ATOM 0 H SER A 118 18.497 -6.888 1.032 1.00 0.00 H new ATOM 0 HA SER A 118 17.294 -4.239 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 118 15.884 -6.306 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 118 16.642 -6.184 2.756 1.00 0.00 H new ATOM 0 HG SER A 118 14.641 -5.017 2.653 1.00 0.00 H new ATOM 1855 N SER A 119 18.203 -3.072 2.567 1.00 0.00 N ATOM 1856 CA SER A 119 18.964 -2.326 3.563 1.00 0.00 C ATOM 1857 C SER A 119 18.051 -1.404 4.365 1.00 0.00 C ATOM 1858 O SER A 119 17.304 -0.606 3.800 1.00 0.00 O ATOM 1859 CB SER A 119 20.066 -1.509 2.886 1.00 0.00 C ATOM 1860 OG SER A 119 19.517 -0.491 2.068 1.00 0.00 O ATOM 0 H SER A 119 17.464 -2.536 2.113 1.00 0.00 H new ATOM 0 HA SER A 119 19.420 -3.041 4.247 1.00 0.00 H new ATOM 0 HB2 SER A 119 20.710 -1.063 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.692 -2.167 2.283 1.00 0.00 H new ATOM 0 HG SER A 119 18.590 -0.320 2.336 1.00 0.00 H new ATOM 1866 N GLY A 120 18.118 -1.520 5.688 1.00 0.00 N ATOM 1867 CA GLY A 120 17.293 -0.691 6.548 1.00 0.00 C ATOM 1868 C GLY A 120 16.820 -1.430 7.784 1.00 0.00 C ATOM 1869 O GLY A 120 17.006 -2.641 7.901 1.00 0.00 O ATOM 0 H GLY A 120 18.728 -2.173 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 120 17.859 0.190 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 120 16.428 -0.338 5.986 1.00 0.00 H new TER 1873 GLY A 120