USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 689 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 48 CYS SG : rot 70:sc= -3.67! USER MOD Set 1.2: A 70 MET CE :methyl 155:sc= -11.3! (180deg=-13!) USER MOD Set 1.3: A 86 CYS SG : rot -107:sc= -1.53! USER MOD Set 1.4: A 87 GLN :FLIP amide:sc= -0.191 F(o=-19,f=-17) USER MOD Set 2.1: A 49 HIS :FLIP no HE2:sc= -35.6! C(o=-51!,f=-48!) USER MOD Set 2.2: A 51 TYR OH : rot -54:sc= -12.1! USER MOD Set 3.1: A 29 SER OG : rot -80:sc= 1.16 USER MOD Set 3.2: A 30 ASN :FLIP amide:sc= -5.83! C(o=-7.7!,f=-4.7!) USER MOD Set 4.1: A 22 SER OG : rot 180:sc= 0.022 USER MOD Set 4.2: A 25 GLN :FLIP amide:sc= -0.873 F(o=-1.8,f=-0.85) USER MOD Set 5.1: A 8 HIS : no HD1:sc= -7.02! C(o=-7.2!,f=-8!) USER MOD Set 5.2: A 105 GLN : amide:sc= -0.162 K(o=-7.2,f=-10!) USER MOD Single : A 2 LYS NZ :NH3+ -132:sc= -0.0589 (180deg=-0.552) USER MOD Single : A 5 TYR OH : rot 99:sc= -7.93! USER MOD Single : A 7 SER OG : rot 140:sc= 0.642 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -116:sc= -0.918 (180deg=-2.41!) USER MOD Single : A 47 THR OG1 : rot -37:sc= 0.887 USER MOD Single : A 53 ASN : amide:sc= -7.54! C(o=-7.5!,f=-14!) USER MOD Single : A 57 THR OG1 : rot 170:sc= -0.299 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.968! F(o=-3.3,f=-0.97!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.46) USER MOD Single : A 81 ASN : amide:sc= -0.683 K(o=-0.68,f=-9.3!) USER MOD Single : A 82 SER OG : rot -55:sc= -8.57! USER MOD Single : A 85 CYS SG : rot 180:sc= -11.4! USER MOD Single : A 90 MET CE :methyl 157:sc= -5.47! (180deg=-6.37!) USER MOD Single : A 91 THR OG1 : rot -98:sc= -4.08! USER MOD ----------------------------------------------------------------- ATOM 14 N LYS A 2 7.460 -11.291 -0.482 1.00 0.00 N ATOM 15 CA LYS A 2 7.863 -10.465 -1.638 1.00 0.00 C ATOM 16 C LYS A 2 6.921 -9.275 -1.788 1.00 0.00 C ATOM 17 O LYS A 2 5.758 -9.335 -1.455 1.00 0.00 O ATOM 18 CB LYS A 2 7.715 -11.393 -2.833 1.00 0.00 C ATOM 19 CG LYS A 2 8.937 -12.283 -2.931 1.00 0.00 C ATOM 20 CD LYS A 2 9.448 -12.306 -4.373 1.00 0.00 C ATOM 21 CE LYS A 2 8.556 -13.220 -5.217 1.00 0.00 C ATOM 22 NZ LYS A 2 8.959 -14.605 -4.841 1.00 0.00 N ATOM 0 HA LYS A 2 8.872 -10.067 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.816 -12.000 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.600 -10.811 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.718 -11.918 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.689 -13.294 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.448 -11.297 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.478 -12.661 -4.399 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.501 -13.045 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.703 -13.041 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.110 -15.169 -5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.840 -14.573 -4.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 8.208 -15.042 -4.269 1.00 0.00 H new ATOM 36 N VAL A 3 7.421 -8.191 -2.266 1.00 0.00 N ATOM 37 CA VAL A 3 6.578 -7.003 -2.435 1.00 0.00 C ATOM 38 C VAL A 3 6.917 -6.280 -3.705 1.00 0.00 C ATOM 39 O VAL A 3 8.049 -6.092 -4.031 1.00 0.00 O ATOM 40 CB VAL A 3 6.902 -6.186 -1.228 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.305 -4.780 -1.360 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.318 -6.945 -0.053 1.00 0.00 C ATOM 0 H VAL A 3 8.394 -8.076 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 3 5.515 -7.232 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 3 7.975 -6.044 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.549 -4.196 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.718 -4.290 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.222 -4.852 -1.460 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.520 -6.400 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.241 -7.048 -0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.773 -7.934 0.003 1.00 0.00 H new ATOM 52 N VAL A 4 5.943 -5.890 -4.434 1.00 0.00 N ATOM 53 CA VAL A 4 6.240 -5.162 -5.689 1.00 0.00 C ATOM 54 C VAL A 4 5.211 -4.056 -5.920 1.00 0.00 C ATOM 55 O VAL A 4 4.200 -4.255 -6.563 1.00 0.00 O ATOM 56 CB VAL A 4 6.206 -6.213 -6.786 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.675 -5.600 -8.106 1.00 0.00 C ATOM 58 CG2 VAL A 4 7.129 -7.372 -6.401 1.00 0.00 C ATOM 0 H VAL A 4 4.955 -6.036 -4.229 1.00 0.00 H new ATOM 0 HA VAL A 4 7.210 -4.665 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 4 5.187 -6.580 -6.906 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.649 -6.358 -8.889 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.017 -4.774 -8.378 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.694 -5.230 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.108 -8.129 -7.185 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.147 -7.002 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.789 -7.811 -5.463 1.00 0.00 H new ATOM 68 N TYR A 5 5.470 -2.890 -5.406 1.00 0.00 N ATOM 69 CA TYR A 5 4.528 -1.761 -5.593 1.00 0.00 C ATOM 70 C TYR A 5 4.521 -1.350 -7.051 1.00 0.00 C ATOM 71 O TYR A 5 5.460 -1.583 -7.772 1.00 0.00 O ATOM 72 CB TYR A 5 5.087 -0.602 -4.766 1.00 0.00 C ATOM 73 CG TYR A 5 5.312 -0.992 -3.327 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.467 -1.706 -2.937 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.386 -0.589 -2.358 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.678 -2.013 -1.613 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.609 -0.897 -1.019 1.00 0.00 C ATOM 78 CZ TYR A 5 5.760 -1.612 -0.643 1.00 0.00 C ATOM 79 OH TYR A 5 5.986 -1.925 0.675 1.00 0.00 O ATOM 0 H TYR A 5 6.303 -2.670 -4.859 1.00 0.00 H new ATOM 0 HA TYR A 5 3.516 -2.033 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.028 -0.266 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.397 0.241 -4.810 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.187 -2.012 -3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.502 -0.041 -2.648 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.559 -2.567 -1.323 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.897 -0.587 -0.268 1.00 0.00 H new ATOM 0 HH TYR A 5 6.369 -1.149 1.135 1.00 0.00 H new ATOM 89 N VAL A 6 3.483 -0.729 -7.489 1.00 0.00 N ATOM 90 CA VAL A 6 3.444 -0.289 -8.895 1.00 0.00 C ATOM 91 C VAL A 6 3.225 1.220 -8.945 1.00 0.00 C ATOM 92 O VAL A 6 2.939 1.843 -7.945 1.00 0.00 O ATOM 93 CB VAL A 6 2.269 -1.038 -9.495 1.00 0.00 C ATOM 94 CG1 VAL A 6 2.108 -0.631 -10.949 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.534 -2.538 -9.399 1.00 0.00 C ATOM 0 H VAL A 6 2.656 -0.505 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 6 4.366 -0.493 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 6 1.354 -0.798 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.265 -1.166 -11.385 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.927 0.442 -11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.017 -0.876 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.694 -3.084 -9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.444 -2.783 -9.947 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.654 -2.820 -8.353 1.00 0.00 H new ATOM 105 N SER A 7 3.360 1.816 -10.089 1.00 0.00 N ATOM 106 CA SER A 7 3.157 3.284 -10.182 1.00 0.00 C ATOM 107 C SER A 7 1.790 3.563 -10.788 1.00 0.00 C ATOM 108 O SER A 7 0.886 2.756 -10.712 1.00 0.00 O ATOM 109 CB SER A 7 4.258 3.785 -11.113 1.00 0.00 C ATOM 110 OG SER A 7 3.839 3.629 -12.462 1.00 0.00 O ATOM 0 H SER A 7 3.602 1.352 -10.965 1.00 0.00 H new ATOM 0 HA SER A 7 3.199 3.775 -9.210 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.476 4.833 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.179 3.228 -10.939 1.00 0.00 H new ATOM 0 HG SER A 7 4.115 4.412 -12.983 1.00 0.00 H new ATOM 116 N HIS A 8 1.645 4.682 -11.422 1.00 0.00 N ATOM 117 CA HIS A 8 0.346 4.994 -12.073 1.00 0.00 C ATOM 118 C HIS A 8 0.461 4.529 -13.516 1.00 0.00 C ATOM 119 O HIS A 8 -0.499 4.122 -14.141 1.00 0.00 O ATOM 120 CB HIS A 8 0.147 6.521 -11.994 1.00 0.00 C ATOM 121 CG HIS A 8 1.136 7.148 -11.041 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.422 6.591 -9.805 1.00 0.00 N ATOM 123 CD2 HIS A 8 1.920 8.270 -11.135 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.337 7.375 -9.208 1.00 0.00 C ATOM 125 NE2 HIS A 8 2.676 8.414 -9.976 1.00 0.00 N ATOM 0 H HIS A 8 2.366 5.397 -11.520 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.503 4.503 -11.597 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.265 6.958 -12.985 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.869 6.742 -11.667 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.946 8.940 -11.981 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.748 7.187 -8.227 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.345 9.153 -9.760 1.00 0.00 H new ATOM 133 N ASP A 9 1.660 4.557 -14.030 1.00 0.00 N ATOM 134 CA ASP A 9 1.898 4.087 -15.418 1.00 0.00 C ATOM 135 C ASP A 9 2.267 2.600 -15.397 1.00 0.00 C ATOM 136 O ASP A 9 2.325 1.946 -16.419 1.00 0.00 O ATOM 137 CB ASP A 9 3.063 4.933 -15.937 1.00 0.00 C ATOM 138 CG ASP A 9 4.366 4.463 -15.288 1.00 0.00 C ATOM 139 OD1 ASP A 9 4.950 3.519 -15.793 1.00 0.00 O ATOM 140 OD2 ASP A 9 4.760 5.056 -14.296 1.00 0.00 O ATOM 0 H ASP A 9 2.491 4.889 -13.540 1.00 0.00 H new ATOM 0 HA ASP A 9 1.019 4.193 -16.054 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.133 4.847 -17.021 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.891 5.985 -15.711 1.00 0.00 H new ATOM 145 N GLY A 10 2.508 2.063 -14.228 1.00 0.00 N ATOM 146 CA GLY A 10 2.862 0.615 -14.122 1.00 0.00 C ATOM 147 C GLY A 10 4.299 0.432 -13.614 1.00 0.00 C ATOM 148 O GLY A 10 4.721 -0.677 -13.352 1.00 0.00 O ATOM 0 H GLY A 10 2.475 2.566 -13.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.168 0.117 -13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.754 0.139 -15.097 1.00 0.00 H new ATOM 152 N THR A 11 5.061 1.485 -13.449 1.00 0.00 N ATOM 153 CA THR A 11 6.443 1.294 -12.939 1.00 0.00 C ATOM 154 C THR A 11 6.348 0.718 -11.531 1.00 0.00 C ATOM 155 O THR A 11 5.600 1.186 -10.699 1.00 0.00 O ATOM 156 CB THR A 11 7.106 2.677 -12.980 1.00 0.00 C ATOM 157 OG1 THR A 11 8.146 2.648 -13.948 1.00 0.00 O ATOM 158 CG2 THR A 11 7.710 3.033 -11.623 1.00 0.00 C ATOM 0 H THR A 11 4.788 2.449 -13.642 1.00 0.00 H new ATOM 0 HA THR A 11 7.040 0.599 -13.529 1.00 0.00 H new ATOM 0 HB THR A 11 6.353 3.423 -13.233 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.580 3.526 -13.988 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.174 4.018 -11.678 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.925 3.044 -10.867 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.463 2.292 -11.354 1.00 0.00 H new ATOM 166 N ARG A 12 7.065 -0.314 -11.282 1.00 0.00 N ATOM 167 CA ARG A 12 6.989 -0.967 -9.940 1.00 0.00 C ATOM 168 C ARG A 12 8.342 -1.000 -9.213 1.00 0.00 C ATOM 169 O ARG A 12 9.373 -0.639 -9.745 1.00 0.00 O ATOM 170 CB ARG A 12 6.507 -2.398 -10.223 1.00 0.00 C ATOM 171 CG ARG A 12 5.476 -2.394 -11.358 1.00 0.00 C ATOM 172 CD ARG A 12 6.178 -2.687 -12.686 1.00 0.00 C ATOM 173 NE ARG A 12 5.112 -3.230 -13.571 1.00 0.00 N ATOM 174 CZ ARG A 12 5.433 -3.889 -14.650 1.00 0.00 C ATOM 175 NH1 ARG A 12 6.232 -3.350 -15.531 1.00 0.00 N ATOM 176 NH2 ARG A 12 4.956 -5.087 -14.850 1.00 0.00 N ATOM 0 H ARG A 12 7.710 -0.749 -11.942 1.00 0.00 H new ATOM 0 HA ARG A 12 6.322 -0.410 -9.282 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.354 -3.028 -10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.066 -2.826 -9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.707 -3.143 -11.168 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.975 -1.427 -11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.619 -1.784 -13.107 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.987 -3.406 -12.555 1.00 0.00 H new ATOM 0 HE ARG A 12 4.130 -3.087 -13.334 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.605 -2.414 -15.375 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.483 -3.865 -16.375 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.332 -5.509 -14.162 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.207 -5.602 -15.694 1.00 0.00 H new ATOM 190 N ARG A 13 8.317 -1.489 -8.000 1.00 0.00 N ATOM 191 CA ARG A 13 9.535 -1.645 -7.172 1.00 0.00 C ATOM 192 C ARG A 13 9.453 -3.048 -6.601 1.00 0.00 C ATOM 193 O ARG A 13 8.492 -3.743 -6.841 1.00 0.00 O ATOM 194 CB ARG A 13 9.457 -0.630 -6.015 1.00 0.00 C ATOM 195 CG ARG A 13 8.133 0.143 -6.006 1.00 0.00 C ATOM 196 CD ARG A 13 8.264 1.401 -6.867 1.00 0.00 C ATOM 197 NE ARG A 13 8.997 2.377 -6.013 1.00 0.00 N ATOM 198 CZ ARG A 13 8.893 3.657 -6.246 1.00 0.00 C ATOM 199 NH1 ARG A 13 8.838 4.094 -7.475 1.00 0.00 N ATOM 200 NH2 ARG A 13 8.840 4.499 -5.250 1.00 0.00 N ATOM 0 H ARG A 13 7.462 -1.797 -7.537 1.00 0.00 H new ATOM 0 HA ARG A 13 10.454 -1.485 -7.735 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.575 -1.154 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.285 0.074 -6.096 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.330 -0.488 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.867 0.416 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.810 1.194 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.286 1.786 -7.156 1.00 0.00 H new ATOM 0 HE ARG A 13 9.581 2.045 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.876 3.435 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.757 5.094 -7.657 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.880 4.157 -4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.759 5.499 -5.432 1.00 0.00 H new ATOM 214 N GLU A 14 10.403 -3.486 -5.842 1.00 0.00 N ATOM 215 CA GLU A 14 10.260 -4.852 -5.283 1.00 0.00 C ATOM 216 C GLU A 14 11.001 -4.982 -3.943 1.00 0.00 C ATOM 217 O GLU A 14 12.215 -4.984 -3.891 1.00 0.00 O ATOM 218 CB GLU A 14 10.870 -5.784 -6.331 1.00 0.00 C ATOM 219 CG GLU A 14 9.915 -5.920 -7.519 1.00 0.00 C ATOM 220 CD GLU A 14 10.264 -4.872 -8.578 1.00 0.00 C ATOM 221 OE1 GLU A 14 11.138 -4.062 -8.316 1.00 0.00 O ATOM 222 OE2 GLU A 14 9.652 -4.898 -9.634 1.00 0.00 O ATOM 0 H GLU A 14 11.250 -2.979 -5.587 1.00 0.00 H new ATOM 0 HA GLU A 14 9.217 -5.094 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.830 -5.391 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.062 -6.763 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.988 -6.921 -7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.885 -5.789 -7.188 1.00 0.00 H new ATOM 229 N LEU A 15 10.277 -5.107 -2.869 1.00 0.00 N ATOM 230 CA LEU A 15 10.911 -5.256 -1.535 1.00 0.00 C ATOM 231 C LEU A 15 10.852 -6.706 -1.072 1.00 0.00 C ATOM 232 O LEU A 15 10.704 -7.634 -1.843 1.00 0.00 O ATOM 233 CB LEU A 15 10.035 -4.431 -0.592 1.00 0.00 C ATOM 234 CG LEU A 15 9.828 -3.039 -1.121 1.00 0.00 C ATOM 235 CD1 LEU A 15 9.413 -2.144 0.038 1.00 0.00 C ATOM 236 CD2 LEU A 15 11.108 -2.500 -1.734 1.00 0.00 C ATOM 0 H LEU A 15 9.257 -5.112 -2.860 1.00 0.00 H new ATOM 0 HA LEU A 15 11.955 -4.943 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.070 -4.922 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.500 -4.383 0.393 1.00 0.00 H new ATOM 0 HG LEU A 15 9.058 -3.058 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.257 -1.128 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.487 -2.519 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.197 -2.143 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.935 -1.492 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.892 -2.475 -0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.418 -3.146 -2.556 1.00 0.00 H new ATOM 248 N ASP A 16 10.922 -6.869 0.209 1.00 0.00 N ATOM 249 CA ASP A 16 10.827 -8.203 0.840 1.00 0.00 C ATOM 250 C ASP A 16 10.276 -7.955 2.240 1.00 0.00 C ATOM 251 O ASP A 16 10.979 -8.046 3.227 1.00 0.00 O ATOM 252 CB ASP A 16 12.258 -8.742 0.892 1.00 0.00 C ATOM 253 CG ASP A 16 12.275 -10.191 0.404 1.00 0.00 C ATOM 254 OD1 ASP A 16 11.205 -10.753 0.239 1.00 0.00 O ATOM 255 OD2 ASP A 16 13.358 -10.715 0.204 1.00 0.00 O ATOM 0 H ASP A 16 11.046 -6.103 0.870 1.00 0.00 H new ATOM 0 HA ASP A 16 10.190 -8.915 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 16 12.911 -8.130 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 16 12.642 -8.685 1.910 1.00 0.00 H new ATOM 260 N VAL A 17 9.027 -7.583 2.322 1.00 0.00 N ATOM 261 CA VAL A 17 8.426 -7.256 3.648 1.00 0.00 C ATOM 262 C VAL A 17 7.829 -8.517 4.265 1.00 0.00 C ATOM 263 O VAL A 17 7.091 -9.251 3.641 1.00 0.00 O ATOM 264 CB VAL A 17 7.376 -6.174 3.336 1.00 0.00 C ATOM 265 CG1 VAL A 17 7.265 -5.264 4.522 1.00 0.00 C ATOM 266 CG2 VAL A 17 7.823 -5.315 2.140 1.00 0.00 C ATOM 0 H VAL A 17 8.395 -7.491 1.526 1.00 0.00 H new ATOM 0 HA VAL A 17 9.143 -6.889 4.382 1.00 0.00 H new ATOM 0 HB VAL A 17 6.428 -6.662 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.525 -4.490 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.958 -5.840 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.232 -4.799 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.068 -4.556 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.771 -4.830 2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.947 -5.950 1.263 1.00 0.00 H new ATOM 276 N ALA A 18 8.208 -8.791 5.483 1.00 0.00 N ATOM 277 CA ALA A 18 7.740 -10.032 6.168 1.00 0.00 C ATOM 278 C ALA A 18 6.437 -9.833 6.925 1.00 0.00 C ATOM 279 O ALA A 18 5.873 -8.759 6.973 1.00 0.00 O ATOM 280 CB ALA A 18 8.832 -10.343 7.182 1.00 0.00 C ATOM 0 H ALA A 18 8.828 -8.203 6.039 1.00 0.00 H new ATOM 0 HA ALA A 18 7.560 -10.819 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.569 -11.245 7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.778 -10.498 6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.932 -9.509 7.876 1.00 0.00 H new ATOM 286 N ASP A 19 5.991 -10.885 7.555 1.00 0.00 N ATOM 287 CA ASP A 19 4.749 -10.812 8.373 1.00 0.00 C ATOM 288 C ASP A 19 4.985 -9.821 9.495 1.00 0.00 C ATOM 289 O ASP A 19 5.860 -9.991 10.321 1.00 0.00 O ATOM 290 CB ASP A 19 4.462 -12.210 8.972 1.00 0.00 C ATOM 291 CG ASP A 19 5.494 -13.259 8.537 1.00 0.00 C ATOM 292 OD1 ASP A 19 5.782 -13.323 7.353 1.00 0.00 O ATOM 293 OD2 ASP A 19 5.978 -13.977 9.396 1.00 0.00 O ATOM 0 H ASP A 19 6.439 -11.801 7.537 1.00 0.00 H new ATOM 0 HA ASP A 19 3.901 -10.498 7.764 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.455 -12.141 10.060 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.467 -12.535 8.667 1.00 0.00 H new ATOM 298 N GLY A 20 4.214 -8.790 9.529 1.00 0.00 N ATOM 299 CA GLY A 20 4.391 -7.779 10.598 1.00 0.00 C ATOM 300 C GLY A 20 4.901 -6.466 10.014 1.00 0.00 C ATOM 301 O GLY A 20 4.720 -5.422 10.610 1.00 0.00 O ATOM 0 H GLY A 20 3.465 -8.597 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.443 -7.612 11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.094 -8.149 11.344 1.00 0.00 H new ATOM 305 N VAL A 21 5.521 -6.465 8.858 1.00 0.00 N ATOM 306 CA VAL A 21 5.974 -5.162 8.333 1.00 0.00 C ATOM 307 C VAL A 21 4.896 -4.565 7.475 1.00 0.00 C ATOM 308 O VAL A 21 4.161 -5.254 6.812 1.00 0.00 O ATOM 309 CB VAL A 21 7.159 -5.389 7.418 1.00 0.00 C ATOM 310 CG1 VAL A 21 7.597 -4.035 6.889 1.00 0.00 C ATOM 311 CG2 VAL A 21 8.318 -6.035 8.138 1.00 0.00 C ATOM 0 H VAL A 21 5.722 -7.282 8.282 1.00 0.00 H new ATOM 0 HA VAL A 21 6.222 -4.512 9.172 1.00 0.00 H new ATOM 0 HB VAL A 21 6.859 -6.062 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.451 -4.163 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.775 -3.576 6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.879 -3.392 7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.145 -6.178 7.442 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.641 -5.393 8.957 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.007 -7.001 8.535 1.00 0.00 H new ATOM 321 N SER A 22 4.847 -3.293 7.423 1.00 0.00 N ATOM 322 CA SER A 22 3.861 -2.649 6.530 1.00 0.00 C ATOM 323 C SER A 22 4.574 -2.307 5.235 1.00 0.00 C ATOM 324 O SER A 22 5.648 -1.752 5.257 1.00 0.00 O ATOM 325 CB SER A 22 3.393 -1.389 7.260 1.00 0.00 C ATOM 326 OG SER A 22 4.459 -0.884 8.051 1.00 0.00 O ATOM 0 H SER A 22 5.442 -2.658 7.955 1.00 0.00 H new ATOM 0 HA SER A 22 3.005 -3.281 6.295 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.070 -0.636 6.541 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.533 -1.617 7.890 1.00 0.00 H new ATOM 0 HG SER A 22 4.164 -0.075 8.520 1.00 0.00 H new ATOM 332 N LEU A 23 4.015 -2.625 4.107 1.00 0.00 N ATOM 333 CA LEU A 23 4.707 -2.279 2.849 1.00 0.00 C ATOM 334 C LEU A 23 5.172 -0.838 2.938 1.00 0.00 C ATOM 335 O LEU A 23 6.136 -0.426 2.339 1.00 0.00 O ATOM 336 CB LEU A 23 3.630 -2.385 1.795 1.00 0.00 C ATOM 337 CG LEU A 23 3.416 -3.842 1.384 1.00 0.00 C ATOM 338 CD1 LEU A 23 2.675 -3.876 0.061 1.00 0.00 C ATOM 339 CD2 LEU A 23 4.751 -4.553 1.236 1.00 0.00 C ATOM 0 H LEU A 23 3.120 -3.104 4.004 1.00 0.00 H new ATOM 0 HA LEU A 23 5.568 -2.914 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.698 -1.969 2.178 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.908 -1.793 0.923 1.00 0.00 H new ATOM 0 HG LEU A 23 2.834 -4.350 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.517 -4.911 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.711 -3.379 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.263 -3.362 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.581 -5.589 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.347 -4.053 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.284 -4.527 2.186 1.00 0.00 H new ATOM 351 N MET A 24 4.465 -0.071 3.688 1.00 0.00 N ATOM 352 CA MET A 24 4.818 1.349 3.838 1.00 0.00 C ATOM 353 C MET A 24 6.049 1.497 4.718 1.00 0.00 C ATOM 354 O MET A 24 6.674 2.536 4.767 1.00 0.00 O ATOM 355 CB MET A 24 3.564 1.939 4.449 1.00 0.00 C ATOM 356 CG MET A 24 3.876 3.244 5.184 1.00 0.00 C ATOM 357 SD MET A 24 4.538 2.896 6.829 1.00 0.00 S ATOM 358 CE MET A 24 5.735 4.252 6.853 1.00 0.00 C ATOM 0 H MET A 24 3.643 -0.370 4.213 1.00 0.00 H new ATOM 0 HA MET A 24 5.090 1.853 2.911 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.827 2.124 3.668 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.121 1.224 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.596 3.828 4.611 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.972 3.847 5.269 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.745 3.845 6.896 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.624 4.852 5.950 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.558 4.878 7.728 1.00 0.00 H new ATOM 368 N GLN A 25 6.429 0.445 5.369 1.00 0.00 N ATOM 369 CA GLN A 25 7.652 0.483 6.199 1.00 0.00 C ATOM 370 C GLN A 25 8.804 0.024 5.307 1.00 0.00 C ATOM 371 O GLN A 25 9.728 0.766 5.041 1.00 0.00 O ATOM 372 CB GLN A 25 7.384 -0.505 7.336 1.00 0.00 C ATOM 373 CG GLN A 25 8.702 -1.088 7.851 1.00 0.00 C ATOM 374 CD GLN A 25 8.529 -1.539 9.302 1.00 0.00 C ATOM 375 OE1 GLN A 25 7.340 -1.854 9.738 1.00 0.00 O flip ATOM 376 NE2 GLN A 25 9.486 -1.605 10.049 1.00 0.00 N flip ATOM 0 H GLN A 25 5.939 -0.450 5.362 1.00 0.00 H new ATOM 0 HA GLN A 25 7.902 1.463 6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.858 -0.002 8.148 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.735 -1.308 6.985 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.006 -1.931 7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.493 -0.341 7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.416 -1.359 9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.359 -1.906 11.015 1.00 0.00 H new ATOM 385 N ALA A 26 8.740 -1.189 4.812 1.00 0.00 N ATOM 386 CA ALA A 26 9.825 -1.663 3.908 1.00 0.00 C ATOM 387 C ALA A 26 10.012 -0.681 2.732 1.00 0.00 C ATOM 388 O ALA A 26 11.089 -0.187 2.515 1.00 0.00 O ATOM 389 CB ALA A 26 9.353 -3.025 3.410 1.00 0.00 C ATOM 0 H ALA A 26 7.993 -1.860 4.994 1.00 0.00 H new ATOM 0 HA ALA A 26 10.788 -1.727 4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.099 -3.444 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.214 -3.695 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.408 -2.911 2.880 1.00 0.00 H new ATOM 395 N ALA A 27 8.979 -0.388 1.977 1.00 0.00 N ATOM 396 CA ALA A 27 9.124 0.568 0.825 1.00 0.00 C ATOM 397 C ALA A 27 9.874 1.819 1.263 1.00 0.00 C ATOM 398 O ALA A 27 10.843 2.224 0.652 1.00 0.00 O ATOM 399 CB ALA A 27 7.694 0.924 0.423 1.00 0.00 C ATOM 0 H ALA A 27 8.041 -0.768 2.106 1.00 0.00 H new ATOM 0 HA ALA A 27 9.687 0.131 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.714 1.621 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.163 0.019 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.183 1.387 1.267 1.00 0.00 H new ATOM 405 N VAL A 28 9.447 2.423 2.329 1.00 0.00 N ATOM 406 CA VAL A 28 10.144 3.637 2.827 1.00 0.00 C ATOM 407 C VAL A 28 11.570 3.256 3.287 1.00 0.00 C ATOM 408 O VAL A 28 12.369 4.102 3.636 1.00 0.00 O ATOM 409 CB VAL A 28 9.243 4.125 3.980 1.00 0.00 C ATOM 410 CG1 VAL A 28 10.012 4.165 5.306 1.00 0.00 C ATOM 411 CG2 VAL A 28 8.725 5.527 3.661 1.00 0.00 C ATOM 0 H VAL A 28 8.641 2.128 2.881 1.00 0.00 H new ATOM 0 HA VAL A 28 10.281 4.421 2.082 1.00 0.00 H new ATOM 0 HB VAL A 28 8.412 3.427 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.351 4.513 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.374 3.165 5.547 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.859 4.845 5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.088 5.873 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 28 9.568 6.208 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.149 5.500 2.736 1.00 0.00 H new ATOM 421 N SER A 29 11.881 1.983 3.279 1.00 0.00 N ATOM 422 CA SER A 29 13.235 1.512 3.702 1.00 0.00 C ATOM 423 C SER A 29 14.071 1.154 2.477 1.00 0.00 C ATOM 424 O SER A 29 15.286 1.161 2.508 1.00 0.00 O ATOM 425 CB SER A 29 12.918 0.267 4.495 1.00 0.00 C ATOM 426 OG SER A 29 13.610 -0.852 3.952 1.00 0.00 O ATOM 0 H SER A 29 11.244 1.240 2.993 1.00 0.00 H new ATOM 0 HA SER A 29 13.802 2.255 4.262 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.203 0.409 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.844 0.082 4.480 1.00 0.00 H new ATOM 0 HG SER A 29 13.128 -1.185 3.166 1.00 0.00 H new ATOM 432 N ASN A 30 13.414 0.839 1.400 1.00 0.00 N ATOM 433 CA ASN A 30 14.119 0.477 0.167 1.00 0.00 C ATOM 434 C ASN A 30 14.188 1.725 -0.697 1.00 0.00 C ATOM 435 O ASN A 30 14.643 1.704 -1.823 1.00 0.00 O ATOM 436 CB ASN A 30 13.209 -0.571 -0.469 1.00 0.00 C ATOM 437 CG ASN A 30 13.203 -1.832 0.390 1.00 0.00 C ATOM 438 OD1 ASN A 30 12.642 -1.791 1.563 1.00 0.00 O flip ATOM 439 ND2 ASN A 30 13.713 -2.860 -0.009 1.00 0.00 N flip ATOM 0 H ASN A 30 12.396 0.820 1.332 1.00 0.00 H new ATOM 0 HA ASN A 30 15.133 0.102 0.308 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.197 -0.179 -0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.556 -0.806 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.152 -2.888 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.702 -3.695 0.576 1.00 0.00 H new ATOM 446 N GLY A 31 13.738 2.826 -0.151 1.00 0.00 N ATOM 447 CA GLY A 31 13.776 4.105 -0.919 1.00 0.00 C ATOM 448 C GLY A 31 12.537 4.207 -1.805 1.00 0.00 C ATOM 449 O GLY A 31 12.437 5.068 -2.656 1.00 0.00 O ATOM 0 H GLY A 31 13.348 2.894 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 31 13.816 4.952 -0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.677 4.147 -1.531 1.00 0.00 H new ATOM 453 N ILE A 32 11.587 3.338 -1.606 1.00 0.00 N ATOM 454 CA ILE A 32 10.348 3.385 -2.427 1.00 0.00 C ATOM 455 C ILE A 32 9.507 4.582 -1.998 1.00 0.00 C ATOM 456 O ILE A 32 9.207 5.466 -2.774 1.00 0.00 O ATOM 457 CB ILE A 32 9.652 2.057 -2.123 1.00 0.00 C ATOM 458 CG1 ILE A 32 10.417 0.940 -2.827 1.00 0.00 C ATOM 459 CG2 ILE A 32 8.203 2.072 -2.623 1.00 0.00 C ATOM 460 CD1 ILE A 32 9.612 -0.348 -2.739 1.00 0.00 C ATOM 0 H ILE A 32 11.616 2.595 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 32 10.528 3.504 -3.496 1.00 0.00 H new ATOM 0 HB ILE A 32 9.640 1.898 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.592 1.204 -3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 32 11.395 0.805 -2.364 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.730 1.117 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.656 2.875 -2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.192 2.235 -3.701 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.153 -1.150 -3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.460 -0.611 -1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.645 -0.206 -3.221 1.00 0.00 H new ATOM 635 N THR A 47 -0.474 10.701 2.495 1.00 0.00 N ATOM 636 CA THR A 47 0.666 10.277 1.632 1.00 0.00 C ATOM 637 C THR A 47 0.760 8.749 1.604 1.00 0.00 C ATOM 638 O THR A 47 1.716 8.182 1.115 1.00 0.00 O ATOM 639 CB THR A 47 1.908 10.882 2.288 1.00 0.00 C ATOM 640 OG1 THR A 47 1.666 11.062 3.676 1.00 0.00 O ATOM 641 CG2 THR A 47 2.220 12.233 1.643 1.00 0.00 C ATOM 0 HA THR A 47 0.552 10.609 0.600 1.00 0.00 H new ATOM 0 HB THR A 47 2.757 10.212 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.735 11.336 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.105 12.664 2.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.404 12.094 0.578 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.373 12.906 1.780 1.00 0.00 H new ATOM 649 N CYS A 48 -0.236 8.083 2.121 1.00 0.00 N ATOM 650 CA CYS A 48 -0.222 6.586 2.124 1.00 0.00 C ATOM 651 C CYS A 48 -1.219 6.062 1.098 1.00 0.00 C ATOM 652 O CYS A 48 -1.593 4.908 1.118 1.00 0.00 O ATOM 653 CB CYS A 48 -0.671 6.106 3.516 1.00 0.00 C ATOM 654 SG CYS A 48 -0.935 7.457 4.685 1.00 0.00 S ATOM 0 H CYS A 48 -1.062 8.508 2.543 1.00 0.00 H new ATOM 0 HA CYS A 48 0.778 6.226 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.594 5.535 3.416 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.081 5.427 3.919 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.991 8.131 4.338 1.00 0.00 H new ATOM 659 N HIS A 49 -1.672 6.900 0.222 1.00 0.00 N ATOM 660 CA HIS A 49 -2.669 6.451 -0.783 1.00 0.00 C ATOM 661 C HIS A 49 -2.050 5.504 -1.809 1.00 0.00 C ATOM 662 O HIS A 49 -1.096 5.828 -2.487 1.00 0.00 O ATOM 663 CB HIS A 49 -3.142 7.741 -1.450 1.00 0.00 C ATOM 664 CG HIS A 49 -4.149 7.407 -2.507 1.00 0.00 C ATOM 665 ND1 HIS A 49 -4.328 7.881 -3.771 1.00 0.00 N flip ATOM 666 CD2 HIS A 49 -5.106 6.425 -2.332 1.00 0.00 C flip ATOM 667 CE1 HIS A 49 -5.372 7.200 -4.380 1.00 0.00 C flip ATOM 668 NE2 HIS A 49 -5.803 6.331 -3.474 1.00 0.00 N flip ATOM 0 H HIS A 49 -1.397 7.880 0.155 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.484 5.891 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.582 8.408 -0.709 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -2.296 8.268 -1.890 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -3.778 8.623 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.264 5.840 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.753 7.346 -5.380 1.00 0.00 H new ATOM 676 N VAL A 50 -2.619 4.336 -1.931 1.00 0.00 N ATOM 677 CA VAL A 50 -2.112 3.345 -2.919 1.00 0.00 C ATOM 678 C VAL A 50 -3.220 2.345 -3.238 1.00 0.00 C ATOM 679 O VAL A 50 -4.341 2.466 -2.783 1.00 0.00 O ATOM 680 CB VAL A 50 -0.905 2.618 -2.275 1.00 0.00 C ATOM 681 CG1 VAL A 50 -0.410 3.366 -1.033 1.00 0.00 C ATOM 682 CG2 VAL A 50 -1.312 1.194 -1.874 1.00 0.00 C ATOM 0 H VAL A 50 -3.421 4.024 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.806 3.833 -3.845 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.099 2.585 -3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.437 2.834 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.101 4.373 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.214 3.424 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.460 0.686 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.131 1.238 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.634 0.645 -2.759 1.00 0.00 H new ATOM 692 N TYR A 51 -2.901 1.355 -4.010 1.00 0.00 N ATOM 693 CA TYR A 51 -3.899 0.338 -4.362 1.00 0.00 C ATOM 694 C TYR A 51 -3.269 -1.051 -4.379 1.00 0.00 C ATOM 695 O TYR A 51 -2.580 -1.426 -5.287 1.00 0.00 O ATOM 696 CB TYR A 51 -4.307 0.765 -5.730 1.00 0.00 C ATOM 697 CG TYR A 51 -5.182 1.977 -5.606 1.00 0.00 C ATOM 698 CD1 TYR A 51 -4.611 3.260 -5.534 1.00 0.00 C ATOM 699 CD2 TYR A 51 -6.568 1.836 -5.579 1.00 0.00 C ATOM 700 CE1 TYR A 51 -5.425 4.380 -5.445 1.00 0.00 C ATOM 701 CE2 TYR A 51 -7.369 2.963 -5.501 1.00 0.00 C ATOM 702 CZ TYR A 51 -6.805 4.235 -5.438 1.00 0.00 C ATOM 703 OH TYR A 51 -7.615 5.351 -5.369 1.00 0.00 O ATOM 0 H TYR A 51 -1.976 1.210 -4.415 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.731 0.268 -3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.429 0.992 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.842 -0.039 -6.235 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.537 3.374 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.015 0.854 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.985 5.364 -5.381 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.443 2.854 -5.489 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.357 5.896 -4.596 1.00 0.00 H new ATOM 713 N VAL A 52 -3.495 -1.810 -3.374 1.00 0.00 N ATOM 714 CA VAL A 52 -2.901 -3.168 -3.322 1.00 0.00 C ATOM 715 C VAL A 52 -3.627 -4.106 -4.283 1.00 0.00 C ATOM 716 O VAL A 52 -4.840 -4.150 -4.322 1.00 0.00 O ATOM 717 CB VAL A 52 -3.118 -3.636 -1.877 1.00 0.00 C ATOM 718 CG1 VAL A 52 -2.164 -4.770 -1.545 1.00 0.00 C ATOM 719 CG2 VAL A 52 -2.904 -2.479 -0.904 1.00 0.00 C ATOM 0 H VAL A 52 -4.071 -1.557 -2.571 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.849 -3.164 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.144 -3.992 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.327 -5.094 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.343 -5.606 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.136 -4.426 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.062 -2.828 0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.886 -2.102 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.611 -1.680 -1.128 1.00 0.00 H new ATOM 729 N ASN A 53 -2.899 -4.871 -5.048 1.00 0.00 N ATOM 730 CA ASN A 53 -3.570 -5.813 -5.984 1.00 0.00 C ATOM 731 C ASN A 53 -4.647 -6.600 -5.226 1.00 0.00 C ATOM 732 O ASN A 53 -4.548 -6.814 -4.036 1.00 0.00 O ATOM 733 CB ASN A 53 -2.451 -6.718 -6.496 1.00 0.00 C ATOM 734 CG ASN A 53 -3.020 -8.046 -6.998 1.00 0.00 C ATOM 735 OD1 ASN A 53 -4.165 -8.123 -7.395 1.00 0.00 O ATOM 736 ND2 ASN A 53 -2.255 -9.103 -7.003 1.00 0.00 N ATOM 0 H ASN A 53 -1.879 -4.885 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.076 -5.317 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.912 -6.219 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.732 -6.903 -5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.619 -9.994 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.293 -9.038 -6.670 1.00 0.00 H new ATOM 743 N GLU A 54 -5.689 -7.000 -5.901 1.00 0.00 N ATOM 744 CA GLU A 54 -6.794 -7.742 -5.221 1.00 0.00 C ATOM 745 C GLU A 54 -6.302 -9.052 -4.593 1.00 0.00 C ATOM 746 O GLU A 54 -7.035 -9.711 -3.882 1.00 0.00 O ATOM 747 CB GLU A 54 -7.805 -8.033 -6.329 1.00 0.00 C ATOM 748 CG GLU A 54 -7.084 -8.639 -7.534 1.00 0.00 C ATOM 749 CD GLU A 54 -7.992 -9.668 -8.210 1.00 0.00 C ATOM 750 OE1 GLU A 54 -9.192 -9.599 -7.999 1.00 0.00 O ATOM 751 OE2 GLU A 54 -7.473 -10.506 -8.927 1.00 0.00 O ATOM 0 H GLU A 54 -5.825 -6.845 -6.900 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.217 -7.160 -4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.570 -8.720 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.314 -7.115 -6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.815 -7.855 -8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.155 -9.112 -7.215 1.00 0.00 H new ATOM 758 N ALA A 55 -5.085 -9.449 -4.842 1.00 0.00 N ATOM 759 CA ALA A 55 -4.599 -10.727 -4.243 1.00 0.00 C ATOM 760 C ALA A 55 -3.767 -10.456 -2.990 1.00 0.00 C ATOM 761 O ALA A 55 -3.144 -11.341 -2.445 1.00 0.00 O ATOM 762 CB ALA A 55 -3.744 -11.391 -5.324 1.00 0.00 C ATOM 0 H ALA A 55 -4.412 -8.953 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.427 -11.366 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.354 -12.337 -4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.354 -11.574 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.914 -10.735 -5.585 1.00 0.00 H new ATOM 768 N PHE A 56 -3.755 -9.245 -2.525 1.00 0.00 N ATOM 769 CA PHE A 56 -2.975 -8.933 -1.293 1.00 0.00 C ATOM 770 C PHE A 56 -3.748 -7.958 -0.417 1.00 0.00 C ATOM 771 O PHE A 56 -3.293 -7.548 0.623 1.00 0.00 O ATOM 772 CB PHE A 56 -1.674 -8.325 -1.787 1.00 0.00 C ATOM 773 CG PHE A 56 -0.917 -9.400 -2.506 1.00 0.00 C ATOM 774 CD1 PHE A 56 -1.211 -9.670 -3.846 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.047 -10.157 -1.828 1.00 0.00 C ATOM 776 CE1 PHE A 56 -0.532 -10.685 -4.520 1.00 0.00 C ATOM 777 CE2 PHE A 56 0.719 -11.179 -2.493 1.00 0.00 C ATOM 778 CZ PHE A 56 0.434 -11.443 -3.848 1.00 0.00 C ATOM 0 H PHE A 56 -4.249 -8.455 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.790 -9.816 -0.682 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.872 -7.485 -2.453 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.090 -7.939 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.965 -9.092 -4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.268 -9.948 -0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.751 -10.886 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.458 -11.769 -1.971 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.961 -12.230 -4.367 1.00 0.00 H new ATOM 788 N THR A 57 -4.921 -7.593 -0.821 1.00 0.00 N ATOM 789 CA THR A 57 -5.726 -6.670 0.018 1.00 0.00 C ATOM 790 C THR A 57 -6.585 -7.507 0.967 1.00 0.00 C ATOM 791 O THR A 57 -6.781 -7.176 2.119 1.00 0.00 O ATOM 792 CB THR A 57 -6.610 -5.883 -0.953 1.00 0.00 C ATOM 793 OG1 THR A 57 -7.712 -6.691 -1.344 1.00 0.00 O ATOM 794 CG2 THR A 57 -5.804 -5.487 -2.190 1.00 0.00 C ATOM 0 H THR A 57 -5.360 -7.890 -1.692 1.00 0.00 H new ATOM 0 HA THR A 57 -5.111 -5.996 0.614 1.00 0.00 H new ATOM 0 HB THR A 57 -6.971 -4.980 -0.460 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.362 -6.144 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.441 -4.928 -2.875 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.960 -4.866 -1.891 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.436 -6.385 -2.687 1.00 0.00 H new ATOM 802 N ASP A 58 -7.119 -8.591 0.454 1.00 0.00 N ATOM 803 CA ASP A 58 -8.000 -9.473 1.273 1.00 0.00 C ATOM 804 C ASP A 58 -7.200 -10.627 1.874 1.00 0.00 C ATOM 805 O ASP A 58 -7.721 -11.461 2.590 1.00 0.00 O ATOM 806 CB ASP A 58 -9.062 -9.961 0.265 1.00 0.00 C ATOM 807 CG ASP A 58 -9.133 -11.495 0.220 1.00 0.00 C ATOM 808 OD1 ASP A 58 -9.849 -12.059 1.031 1.00 0.00 O ATOM 809 OD2 ASP A 58 -8.471 -12.075 -0.624 1.00 0.00 O ATOM 0 H ASP A 58 -6.978 -8.902 -0.507 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.450 -8.966 2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.037 -9.559 0.539 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.826 -9.577 -0.728 1.00 0.00 H new ATOM 814 N LYS A 59 -5.946 -10.666 1.591 1.00 0.00 N ATOM 815 CA LYS A 59 -5.075 -11.738 2.128 1.00 0.00 C ATOM 816 C LYS A 59 -4.351 -11.165 3.320 1.00 0.00 C ATOM 817 O LYS A 59 -4.305 -11.717 4.401 1.00 0.00 O ATOM 818 CB LYS A 59 -4.079 -11.984 1.020 1.00 0.00 C ATOM 819 CG LYS A 59 -4.779 -11.901 -0.347 1.00 0.00 C ATOM 820 CD LYS A 59 -4.398 -13.118 -1.190 1.00 0.00 C ATOM 821 CE LYS A 59 -4.920 -14.390 -0.519 1.00 0.00 C ATOM 822 NZ LYS A 59 -6.166 -14.733 -1.259 1.00 0.00 N ATOM 0 H LYS A 59 -5.470 -9.987 0.997 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.606 -12.643 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.276 -11.248 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.620 -12.965 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.860 -11.863 -0.212 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.489 -10.984 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.817 -13.025 -2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.315 -13.171 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.190 -15.197 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.123 -14.223 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.583 -15.596 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.845 -13.950 -1.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.941 -14.893 -2.262 1.00 0.00 H new ATOM 836 N VAL A 60 -3.814 -10.017 3.090 1.00 0.00 N ATOM 837 CA VAL A 60 -3.092 -9.272 4.127 1.00 0.00 C ATOM 838 C VAL A 60 -4.156 -8.734 5.098 1.00 0.00 C ATOM 839 O VAL A 60 -5.325 -9.003 4.904 1.00 0.00 O ATOM 840 CB VAL A 60 -2.363 -8.229 3.260 1.00 0.00 C ATOM 841 CG1 VAL A 60 -2.658 -6.779 3.653 1.00 0.00 C ATOM 842 CG2 VAL A 60 -0.877 -8.531 3.283 1.00 0.00 C ATOM 0 H VAL A 60 -3.849 -9.547 2.186 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.380 -9.793 4.767 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.745 -8.315 2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.108 -6.105 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.727 -6.586 3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.350 -6.612 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.348 -7.800 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.511 -8.480 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.703 -9.530 2.884 1.00 0.00 H new ATOM 852 N PRO A 61 -3.760 -8.036 6.128 1.00 0.00 N ATOM 853 CA PRO A 61 -4.764 -7.553 7.096 1.00 0.00 C ATOM 854 C PRO A 61 -5.628 -6.455 6.490 1.00 0.00 C ATOM 855 O PRO A 61 -5.187 -5.367 6.177 1.00 0.00 O ATOM 856 CB PRO A 61 -3.943 -7.099 8.293 1.00 0.00 C ATOM 857 CG PRO A 61 -2.580 -6.818 7.757 1.00 0.00 C ATOM 858 CD PRO A 61 -2.402 -7.618 6.483 1.00 0.00 C ATOM 0 HA PRO A 61 -5.484 -8.317 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.376 -6.210 8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.911 -7.870 9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.461 -5.753 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.819 -7.092 8.488 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.952 -7.015 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.749 -8.477 6.640 1.00 0.00 H new ATOM 866 N ALA A 62 -6.870 -6.788 6.320 1.00 0.00 N ATOM 867 CA ALA A 62 -7.866 -5.871 5.731 1.00 0.00 C ATOM 868 C ALA A 62 -8.247 -4.798 6.732 1.00 0.00 C ATOM 869 O ALA A 62 -9.356 -4.751 7.227 1.00 0.00 O ATOM 870 CB ALA A 62 -9.057 -6.764 5.427 1.00 0.00 C ATOM 0 H ALA A 62 -7.248 -7.700 6.578 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.494 -5.355 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.855 -6.168 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.757 -7.546 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.415 -7.220 6.350 1.00 0.00 H new ATOM 876 N ALA A 63 -7.321 -3.953 7.032 1.00 0.00 N ATOM 877 CA ALA A 63 -7.579 -2.854 8.013 1.00 0.00 C ATOM 878 C ALA A 63 -9.005 -2.322 7.839 1.00 0.00 C ATOM 879 O ALA A 63 -9.614 -2.481 6.800 1.00 0.00 O ATOM 880 CB ALA A 63 -6.557 -1.770 7.672 1.00 0.00 C ATOM 0 H ALA A 63 -6.379 -3.966 6.641 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.486 -3.189 9.046 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.682 -0.926 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.550 -2.174 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.709 -1.436 6.646 1.00 0.00 H new ATOM 886 N ASN A 64 -9.559 -1.723 8.859 1.00 0.00 N ATOM 887 CA ASN A 64 -10.963 -1.226 8.755 1.00 0.00 C ATOM 888 C ASN A 64 -11.033 0.235 8.296 1.00 0.00 C ATOM 889 O ASN A 64 -10.104 0.781 7.734 1.00 0.00 O ATOM 890 CB ASN A 64 -11.535 -1.374 10.167 1.00 0.00 C ATOM 891 CG ASN A 64 -10.609 -0.685 11.177 1.00 0.00 C ATOM 892 OD1 ASN A 64 -10.750 0.591 11.434 1.00 0.00 O flip ATOM 893 ND2 ASN A 64 -9.741 -1.320 11.743 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.103 -1.557 9.756 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.524 -1.789 8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -12.531 -0.934 10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.641 -2.429 10.418 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.626 -2.314 11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.127 -0.859 12.414 1.00 0.00 H new ATOM 900 N GLU A 65 -12.161 0.847 8.527 1.00 0.00 N ATOM 901 CA GLU A 65 -12.389 2.265 8.116 1.00 0.00 C ATOM 902 C GLU A 65 -11.138 3.125 8.307 1.00 0.00 C ATOM 903 O GLU A 65 -10.971 4.130 7.645 1.00 0.00 O ATOM 904 CB GLU A 65 -13.516 2.758 9.025 1.00 0.00 C ATOM 905 CG GLU A 65 -13.042 2.751 10.479 1.00 0.00 C ATOM 906 CD GLU A 65 -13.833 3.787 11.280 1.00 0.00 C ATOM 907 OE1 GLU A 65 -14.070 4.860 10.750 1.00 0.00 O ATOM 908 OE2 GLU A 65 -14.187 3.491 12.408 1.00 0.00 O ATOM 0 H GLU A 65 -12.956 0.413 8.996 1.00 0.00 H new ATOM 0 HA GLU A 65 -12.638 2.334 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -13.817 3.765 8.735 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -14.392 2.119 8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -13.178 1.760 10.912 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.976 2.976 10.526 1.00 0.00 H new ATOM 915 N ARG A 66 -10.252 2.755 9.188 1.00 0.00 N ATOM 916 CA ARG A 66 -9.034 3.588 9.366 1.00 0.00 C ATOM 917 C ARG A 66 -8.393 3.782 7.996 1.00 0.00 C ATOM 918 O ARG A 66 -8.470 4.842 7.410 1.00 0.00 O ATOM 919 CB ARG A 66 -8.120 2.779 10.286 1.00 0.00 C ATOM 920 CG ARG A 66 -7.890 3.551 11.586 1.00 0.00 C ATOM 921 CD ARG A 66 -6.866 2.808 12.448 1.00 0.00 C ATOM 922 NE ARG A 66 -7.629 1.696 13.079 1.00 0.00 N ATOM 923 CZ ARG A 66 -7.652 1.575 14.378 1.00 0.00 C ATOM 924 NH1 ARG A 66 -7.727 2.638 15.131 1.00 0.00 N ATOM 925 NH2 ARG A 66 -7.601 0.391 14.924 1.00 0.00 N ATOM 0 H ARG A 66 -10.316 1.928 9.782 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.237 4.571 9.791 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.569 1.810 10.501 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.168 2.586 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.533 4.557 11.365 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.829 3.657 12.129 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.042 2.428 11.843 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.432 3.466 13.201 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.134 1.029 12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.768 3.564 14.704 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.745 2.543 16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.543 -0.440 14.335 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.619 0.296 15.939 1.00 0.00 H new ATOM 939 N GLU A 67 -7.798 2.755 7.468 1.00 0.00 N ATOM 940 CA GLU A 67 -7.187 2.855 6.121 1.00 0.00 C ATOM 941 C GLU A 67 -8.291 3.011 5.076 1.00 0.00 C ATOM 942 O GLU A 67 -8.179 3.790 4.153 1.00 0.00 O ATOM 943 CB GLU A 67 -6.428 1.537 5.955 1.00 0.00 C ATOM 944 CG GLU A 67 -6.360 1.147 4.481 1.00 0.00 C ATOM 945 CD GLU A 67 -7.466 0.134 4.173 1.00 0.00 C ATOM 946 OE1 GLU A 67 -7.464 -0.920 4.788 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.294 0.431 3.328 1.00 0.00 O ATOM 0 H GLU A 67 -7.708 1.843 7.916 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.525 3.712 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.420 1.636 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.923 0.750 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.476 2.031 3.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.384 0.718 4.251 1.00 0.00 H new ATOM 954 N ILE A 68 -9.365 2.288 5.226 1.00 0.00 N ATOM 955 CA ILE A 68 -10.475 2.417 4.249 1.00 0.00 C ATOM 956 C ILE A 68 -10.947 3.870 4.217 1.00 0.00 C ATOM 957 O ILE A 68 -11.614 4.294 3.297 1.00 0.00 O ATOM 958 CB ILE A 68 -11.568 1.474 4.763 1.00 0.00 C ATOM 959 CG1 ILE A 68 -11.365 0.100 4.129 1.00 0.00 C ATOM 960 CG2 ILE A 68 -12.956 2.002 4.383 1.00 0.00 C ATOM 961 CD1 ILE A 68 -10.358 -0.702 4.953 1.00 0.00 C ATOM 0 H ILE A 68 -9.520 1.618 5.979 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.188 2.157 3.230 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.504 1.409 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.315 -0.432 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.007 0.210 3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.720 1.320 4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.104 2.988 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.033 2.075 3.298 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.215 -1.682 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.406 -0.172 4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.734 -0.824 5.969 1.00 0.00 H new ATOM 973 N GLY A 69 -10.596 4.638 5.213 1.00 0.00 N ATOM 974 CA GLY A 69 -11.015 6.063 5.228 1.00 0.00 C ATOM 975 C GLY A 69 -9.871 6.922 4.686 1.00 0.00 C ATOM 976 O GLY A 69 -9.977 7.481 3.620 1.00 0.00 O ATOM 0 H GLY A 69 -10.039 4.339 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.909 6.199 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.269 6.370 6.242 1.00 0.00 H new ATOM 980 N MET A 70 -8.772 7.028 5.404 1.00 0.00 N ATOM 981 CA MET A 70 -7.627 7.861 4.881 1.00 0.00 C ATOM 982 C MET A 70 -7.468 7.565 3.388 1.00 0.00 C ATOM 983 O MET A 70 -7.240 8.441 2.578 1.00 0.00 O ATOM 984 CB MET A 70 -6.328 7.473 5.637 1.00 0.00 C ATOM 985 CG MET A 70 -6.569 6.424 6.732 1.00 0.00 C ATOM 986 SD MET A 70 -5.052 6.186 7.698 1.00 0.00 S ATOM 987 CE MET A 70 -4.749 4.452 7.264 1.00 0.00 C ATOM 0 H MET A 70 -8.617 6.586 6.310 1.00 0.00 H new ATOM 0 HA MET A 70 -7.821 8.923 5.033 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.599 7.087 4.924 1.00 0.00 H new ATOM 0 HB3 MET A 70 -5.893 8.366 6.085 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.380 6.746 7.385 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.877 5.480 6.283 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.687 4.231 7.368 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.321 3.805 7.930 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.057 4.276 6.234 1.00 0.00 H new ATOM 997 N LEU A 71 -7.637 6.323 3.032 1.00 0.00 N ATOM 998 CA LEU A 71 -7.557 5.903 1.602 1.00 0.00 C ATOM 999 C LEU A 71 -8.707 6.551 0.846 1.00 0.00 C ATOM 1000 O LEU A 71 -8.523 7.173 -0.172 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.737 4.389 1.694 1.00 0.00 C ATOM 1002 CG LEU A 71 -7.640 3.680 0.337 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -8.852 2.754 0.222 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -7.632 4.673 -0.841 1.00 0.00 C ATOM 0 H LEU A 71 -7.831 5.564 3.685 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.639 6.184 1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.980 3.981 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.708 4.172 2.140 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.702 3.127 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.820 2.229 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.834 2.029 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.767 3.343 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.562 4.123 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.552 5.258 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.776 5.342 -0.747 1.00 0.00 H new ATOM 1016 N GLU A 72 -9.896 6.428 1.337 1.00 0.00 N ATOM 1017 CA GLU A 72 -11.022 7.073 0.632 1.00 0.00 C ATOM 1018 C GLU A 72 -10.817 8.583 0.751 1.00 0.00 C ATOM 1019 O GLU A 72 -11.179 9.350 -0.119 1.00 0.00 O ATOM 1020 CB GLU A 72 -12.275 6.568 1.379 1.00 0.00 C ATOM 1021 CG GLU A 72 -13.223 7.716 1.760 1.00 0.00 C ATOM 1022 CD GLU A 72 -12.606 8.580 2.863 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -12.388 8.064 3.944 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -12.371 9.748 2.608 1.00 0.00 O ATOM 0 H GLU A 72 -10.137 5.916 2.185 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.109 6.844 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.807 5.853 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.970 6.036 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.431 8.329 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.176 7.310 2.099 1.00 0.00 H new ATOM 1031 N CYS A 73 -10.195 8.998 1.824 1.00 0.00 N ATOM 1032 CA CYS A 73 -9.908 10.439 2.013 1.00 0.00 C ATOM 1033 C CYS A 73 -9.013 10.881 0.870 1.00 0.00 C ATOM 1034 O CYS A 73 -9.179 11.947 0.312 1.00 0.00 O ATOM 1035 CB CYS A 73 -9.177 10.537 3.352 1.00 0.00 C ATOM 1036 SG CYS A 73 -10.119 11.592 4.480 1.00 0.00 S ATOM 0 H CYS A 73 -9.874 8.392 2.579 1.00 0.00 H new ATOM 0 HA CYS A 73 -10.798 11.068 2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -9.053 9.544 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -8.178 10.947 3.204 1.00 0.00 H new ATOM 0 HG CYS A 73 -9.498 11.673 5.619 1.00 0.00 H new ATOM 1042 N VAL A 74 -8.085 10.044 0.480 1.00 0.00 N ATOM 1043 CA VAL A 74 -7.230 10.424 -0.668 1.00 0.00 C ATOM 1044 C VAL A 74 -8.180 10.790 -1.805 1.00 0.00 C ATOM 1045 O VAL A 74 -9.368 10.549 -1.720 1.00 0.00 O ATOM 1046 CB VAL A 74 -6.362 9.212 -1.041 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -5.932 8.451 0.201 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -7.136 8.276 -1.945 1.00 0.00 C ATOM 0 H VAL A 74 -7.890 9.135 0.900 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.569 11.262 -0.447 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.477 9.581 -1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.319 7.598 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.354 9.110 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.814 8.099 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.512 7.421 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.031 7.929 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.423 8.803 -2.855 1.00 0.00 H new ATOM 1058 N THR A 75 -7.704 11.365 -2.853 1.00 0.00 N ATOM 1059 CA THR A 75 -8.625 11.722 -3.945 1.00 0.00 C ATOM 1060 C THR A 75 -8.204 11.025 -5.230 1.00 0.00 C ATOM 1061 O THR A 75 -7.992 11.678 -6.232 1.00 0.00 O ATOM 1062 CB THR A 75 -8.464 13.239 -4.072 1.00 0.00 C ATOM 1063 OG1 THR A 75 -9.067 13.874 -2.953 1.00 0.00 O ATOM 1064 CG2 THR A 75 -9.127 13.728 -5.355 1.00 0.00 C ATOM 0 H THR A 75 -6.724 11.603 -3.003 1.00 0.00 H new ATOM 0 HA THR A 75 -9.656 11.425 -3.755 1.00 0.00 H new ATOM 0 HB THR A 75 -7.403 13.485 -4.104 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.963 14.845 -3.033 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.008 14.808 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.660 13.245 -6.213 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.188 13.481 -5.333 1.00 0.00 H new ATOM 1072 N ALA A 76 -8.049 9.720 -5.262 1.00 0.00 N ATOM 1073 CA ALA A 76 -7.620 9.166 -6.575 1.00 0.00 C ATOM 1074 C ALA A 76 -8.542 8.070 -7.062 1.00 0.00 C ATOM 1075 O ALA A 76 -9.708 8.010 -6.726 1.00 0.00 O ATOM 1076 CB ALA A 76 -6.206 8.648 -6.366 1.00 0.00 C ATOM 0 H ALA A 76 -8.189 9.062 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.656 9.934 -7.348 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.832 8.226 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.560 9.469 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.211 7.877 -5.595 1.00 0.00 H new ATOM 1082 N GLU A 77 -8.005 7.217 -7.872 1.00 0.00 N ATOM 1083 CA GLU A 77 -8.783 6.091 -8.443 1.00 0.00 C ATOM 1084 C GLU A 77 -9.215 5.174 -7.302 1.00 0.00 C ATOM 1085 O GLU A 77 -8.847 4.031 -7.211 1.00 0.00 O ATOM 1086 CB GLU A 77 -7.760 5.468 -9.402 1.00 0.00 C ATOM 1087 CG GLU A 77 -7.579 3.967 -9.198 1.00 0.00 C ATOM 1088 CD GLU A 77 -6.733 3.393 -10.336 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -5.521 3.385 -10.201 1.00 0.00 O ATOM 1090 OE2 GLU A 77 -7.311 2.973 -11.324 1.00 0.00 O ATOM 0 H GLU A 77 -7.031 7.252 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.709 6.343 -8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.075 5.653 -10.429 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.799 5.964 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.096 3.776 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.551 3.474 -9.169 1.00 0.00 H new ATOM 1097 N LEU A 78 -9.961 5.678 -6.381 1.00 0.00 N ATOM 1098 CA LEU A 78 -10.326 4.812 -5.243 1.00 0.00 C ATOM 1099 C LEU A 78 -11.070 3.585 -5.731 1.00 0.00 C ATOM 1100 O LEU A 78 -11.915 3.615 -6.603 1.00 0.00 O ATOM 1101 CB LEU A 78 -11.091 5.667 -4.237 1.00 0.00 C ATOM 1102 CG LEU A 78 -10.299 5.593 -2.927 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -10.297 4.187 -2.446 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.864 5.992 -3.158 1.00 0.00 C ATOM 0 H LEU A 78 -10.329 6.629 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.449 4.415 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.174 6.697 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.106 5.294 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.761 6.263 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.736 4.122 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.323 3.859 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.831 3.547 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.315 5.934 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.411 5.318 -3.885 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.827 7.013 -3.538 1.00 0.00 H new ATOM 1116 N LYS A 79 -10.621 2.492 -5.212 1.00 0.00 N ATOM 1117 CA LYS A 79 -11.076 1.150 -5.603 1.00 0.00 C ATOM 1118 C LYS A 79 -11.769 0.431 -4.454 1.00 0.00 C ATOM 1119 O LYS A 79 -11.847 0.934 -3.351 1.00 0.00 O ATOM 1120 CB LYS A 79 -9.718 0.489 -5.840 1.00 0.00 C ATOM 1121 CG LYS A 79 -9.439 0.320 -7.329 1.00 0.00 C ATOM 1122 CD LYS A 79 -9.443 1.687 -8.001 1.00 0.00 C ATOM 1123 CE LYS A 79 -9.965 1.559 -9.430 1.00 0.00 C ATOM 1124 NZ LYS A 79 -9.010 0.639 -10.109 1.00 0.00 N ATOM 0 H LYS A 79 -9.908 2.480 -4.483 1.00 0.00 H new ATOM 0 HA LYS A 79 -11.786 1.142 -6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.932 1.093 -5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.694 -0.484 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.476 -0.168 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.194 -0.322 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.068 2.378 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.435 2.102 -8.008 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.978 1.158 -9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.999 2.529 -9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.072 0.772 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.042 0.847 -9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.248 -0.345 -9.872 1.00 0.00 H new ATOM 1138 N PRO A 80 -12.180 -0.768 -4.747 1.00 0.00 N ATOM 1139 CA PRO A 80 -12.791 -1.630 -3.722 1.00 0.00 C ATOM 1140 C PRO A 80 -11.648 -2.213 -2.897 1.00 0.00 C ATOM 1141 O PRO A 80 -11.778 -2.509 -1.726 1.00 0.00 O ATOM 1142 CB PRO A 80 -13.489 -2.715 -4.529 1.00 0.00 C ATOM 1143 CG PRO A 80 -12.756 -2.772 -5.834 1.00 0.00 C ATOM 1144 CD PRO A 80 -12.116 -1.423 -6.057 1.00 0.00 C ATOM 0 HA PRO A 80 -13.485 -1.129 -3.047 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -13.450 -3.675 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -14.542 -2.477 -4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -11.999 -3.556 -5.814 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.441 -3.010 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.087 -1.524 -6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.651 -0.850 -6.814 1.00 0.00 H new ATOM 1152 N ASN A 81 -10.512 -2.358 -3.532 1.00 0.00 N ATOM 1153 CA ASN A 81 -9.310 -2.900 -2.843 1.00 0.00 C ATOM 1154 C ASN A 81 -8.278 -1.781 -2.629 1.00 0.00 C ATOM 1155 O ASN A 81 -7.132 -2.040 -2.320 1.00 0.00 O ATOM 1156 CB ASN A 81 -8.757 -3.966 -3.790 1.00 0.00 C ATOM 1157 CG ASN A 81 -8.177 -3.293 -5.036 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -8.837 -2.495 -5.672 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -6.962 -3.582 -5.412 1.00 0.00 N ATOM 0 H ASN A 81 -10.369 -2.119 -4.513 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.544 -3.311 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.986 -4.549 -3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.548 -4.660 -4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.565 -3.138 -6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.409 -4.252 -4.878 1.00 0.00 H new ATOM 1166 N SER A 82 -8.685 -0.542 -2.781 1.00 0.00 N ATOM 1167 CA SER A 82 -7.743 0.604 -2.564 1.00 0.00 C ATOM 1168 C SER A 82 -7.000 0.412 -1.265 1.00 0.00 C ATOM 1169 O SER A 82 -7.163 -0.580 -0.588 1.00 0.00 O ATOM 1170 CB SER A 82 -8.627 1.815 -2.406 1.00 0.00 C ATOM 1171 OG SER A 82 -8.909 2.378 -3.649 1.00 0.00 O ATOM 0 H SER A 82 -9.633 -0.274 -3.047 1.00 0.00 H new ATOM 0 HA SER A 82 -7.025 0.692 -3.380 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.555 1.533 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.136 2.551 -1.770 1.00 0.00 H new ATOM 0 HG SER A 82 -8.071 2.574 -4.117 1.00 0.00 H new ATOM 1177 N ARG A 83 -6.211 1.364 -0.871 1.00 0.00 N ATOM 1178 CA ARG A 83 -5.513 1.154 0.447 1.00 0.00 C ATOM 1179 C ARG A 83 -4.688 2.352 0.934 1.00 0.00 C ATOM 1180 O ARG A 83 -4.398 3.282 0.211 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.575 -0.041 0.225 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.084 -1.315 0.934 1.00 0.00 C ATOM 1183 CD ARG A 83 -5.724 -0.978 2.285 1.00 0.00 C ATOM 1184 NE ARG A 83 -5.127 -1.935 3.252 1.00 0.00 N ATOM 1185 CZ ARG A 83 -5.745 -3.049 3.527 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -7.039 -3.048 3.683 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -5.071 -4.159 3.651 1.00 0.00 N ATOM 0 H ARG A 83 -6.017 2.237 -1.362 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.266 0.998 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.480 -0.234 -0.844 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.579 0.206 0.594 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.812 -1.821 0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.255 -2.007 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.516 0.053 2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.808 -1.085 2.244 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.236 -1.721 3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.563 -2.178 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.527 -3.917 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.058 -4.156 3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.557 -5.029 3.866 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.262 2.263 2.169 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.390 3.292 2.786 1.00 0.00 C ATOM 1203 C LEU A 84 -2.054 2.607 3.096 1.00 0.00 C ATOM 1204 O LEU A 84 -1.951 1.821 4.016 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.116 3.696 4.073 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.595 5.158 4.025 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -3.527 6.059 4.632 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -4.871 5.610 2.586 1.00 0.00 C ATOM 0 H LEU A 84 -4.495 1.489 2.791 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.200 4.165 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.971 3.038 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.449 3.560 4.924 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.523 5.229 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.864 7.095 4.599 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.350 5.767 5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.602 5.960 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.207 6.647 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.958 5.526 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.644 4.979 2.148 1.00 0.00 H new ATOM 1220 N CYS A 85 -1.058 2.853 2.294 1.00 0.00 N ATOM 1221 CA CYS A 85 0.262 2.175 2.477 1.00 0.00 C ATOM 1222 C CYS A 85 0.591 1.862 3.950 1.00 0.00 C ATOM 1223 O CYS A 85 1.261 0.888 4.228 1.00 0.00 O ATOM 1224 CB CYS A 85 1.294 3.118 1.834 1.00 0.00 C ATOM 1225 SG CYS A 85 1.958 4.303 3.034 1.00 0.00 S ATOM 0 H CYS A 85 -1.099 3.502 1.509 1.00 0.00 H new ATOM 0 HA CYS A 85 0.261 1.193 2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.110 2.531 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.829 3.657 1.009 1.00 0.00 H new ATOM 0 HG CYS A 85 2.825 5.075 2.448 1.00 0.00 H new ATOM 1231 N CYS A 86 0.155 2.651 4.900 1.00 0.00 N ATOM 1232 CA CYS A 86 0.513 2.322 6.319 1.00 0.00 C ATOM 1233 C CYS A 86 -0.451 1.300 6.940 1.00 0.00 C ATOM 1234 O CYS A 86 -0.433 1.078 8.134 1.00 0.00 O ATOM 1235 CB CYS A 86 0.488 3.649 7.093 1.00 0.00 C ATOM 1236 SG CYS A 86 -1.164 4.389 7.093 1.00 0.00 S ATOM 0 H CYS A 86 -0.416 3.485 4.765 1.00 0.00 H new ATOM 0 HA CYS A 86 1.497 1.856 6.361 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.811 3.478 8.120 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.199 4.345 6.647 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.174 5.427 6.311 1.00 0.00 H new ATOM 1241 N GLN A 87 -1.283 0.663 6.157 1.00 0.00 N ATOM 1242 CA GLN A 87 -2.214 -0.346 6.749 1.00 0.00 C ATOM 1243 C GLN A 87 -2.106 -1.707 6.043 1.00 0.00 C ATOM 1244 O GLN A 87 -3.017 -2.509 6.097 1.00 0.00 O ATOM 1245 CB GLN A 87 -3.610 0.238 6.566 1.00 0.00 C ATOM 1246 CG GLN A 87 -4.402 0.056 7.864 1.00 0.00 C ATOM 1247 CD GLN A 87 -3.743 0.863 8.986 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -3.214 2.026 8.717 1.00 0.00 O flip ATOM 1249 NE2 GLN A 87 -3.710 0.430 10.120 1.00 0.00 N flip ATOM 0 H GLN A 87 -1.359 0.794 5.148 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.975 -0.531 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -3.545 1.296 6.310 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.120 -0.259 5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.432 0.385 7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.438 -0.999 8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.123 -0.478 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.269 0.975 10.861 1.00 0.00 H new ATOM 1258 N ILE A 88 -1.017 -1.979 5.379 1.00 0.00 N ATOM 1259 CA ILE A 88 -0.886 -3.291 4.675 1.00 0.00 C ATOM 1260 C ILE A 88 0.323 -4.081 5.216 1.00 0.00 C ATOM 1261 O ILE A 88 1.454 -3.779 4.905 1.00 0.00 O ATOM 1262 CB ILE A 88 -0.707 -2.909 3.189 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -2.074 -2.962 2.486 1.00 0.00 C ATOM 1264 CG2 ILE A 88 0.287 -3.853 2.498 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.301 -4.332 1.844 1.00 0.00 C ATOM 0 H ILE A 88 -0.215 -1.355 5.292 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.748 -3.941 4.824 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.304 -1.898 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.866 -2.757 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.127 -2.185 1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.397 -3.564 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.255 -3.790 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.084 -4.876 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.274 -4.347 1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.520 -4.523 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.271 -5.104 2.613 1.00 0.00 H new ATOM 1277 N ILE A 89 0.091 -5.101 6.009 1.00 0.00 N ATOM 1278 CA ILE A 89 1.236 -5.909 6.541 1.00 0.00 C ATOM 1279 C ILE A 89 1.528 -7.065 5.585 1.00 0.00 C ATOM 1280 O ILE A 89 0.644 -7.765 5.148 1.00 0.00 O ATOM 1281 CB ILE A 89 0.788 -6.410 7.923 1.00 0.00 C ATOM 1282 CG1 ILE A 89 1.239 -5.423 9.012 1.00 0.00 C ATOM 1283 CG2 ILE A 89 1.402 -7.788 8.220 1.00 0.00 C ATOM 1284 CD1 ILE A 89 1.198 -3.987 8.478 1.00 0.00 C ATOM 0 H ILE A 89 -0.834 -5.407 6.309 1.00 0.00 H new ATOM 0 HA ILE A 89 2.156 -5.331 6.627 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.299 -6.489 7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.592 -5.513 9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.250 -5.668 9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.075 -8.128 9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.078 -8.502 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.489 -7.713 8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.520 -3.299 9.260 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.864 -3.899 7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.181 -3.741 8.174 1.00 0.00 H new ATOM 1296 N MET A 90 2.769 -7.250 5.255 1.00 0.00 N ATOM 1297 CA MET A 90 3.157 -8.331 4.315 1.00 0.00 C ATOM 1298 C MET A 90 3.288 -9.667 5.031 1.00 0.00 C ATOM 1299 O MET A 90 4.130 -9.826 5.879 1.00 0.00 O ATOM 1300 CB MET A 90 4.513 -7.872 3.788 1.00 0.00 C ATOM 1301 CG MET A 90 4.607 -8.133 2.290 1.00 0.00 C ATOM 1302 SD MET A 90 3.189 -7.396 1.444 1.00 0.00 S ATOM 1303 CE MET A 90 2.301 -8.955 1.227 1.00 0.00 C ATOM 0 H MET A 90 3.546 -6.688 5.603 1.00 0.00 H new ATOM 0 HA MET A 90 2.418 -8.488 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.650 -6.810 3.989 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.312 -8.400 4.308 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.533 -7.714 1.897 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.637 -9.206 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.237 -8.753 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 90 2.679 -9.469 0.343 1.00 0.00 H new ATOM 0 HE3 MET A 90 2.451 -9.584 2.104 1.00 0.00 H new ATOM 1313 N THR A 91 2.497 -10.645 4.691 1.00 0.00 N ATOM 1314 CA THR A 91 2.669 -11.958 5.387 1.00 0.00 C ATOM 1315 C THR A 91 3.487 -12.894 4.521 1.00 0.00 C ATOM 1316 O THR A 91 3.851 -12.571 3.409 1.00 0.00 O ATOM 1317 CB THR A 91 1.283 -12.562 5.640 1.00 0.00 C ATOM 1318 OG1 THR A 91 1.038 -13.564 4.672 1.00 0.00 O ATOM 1319 CG2 THR A 91 0.183 -11.511 5.561 1.00 0.00 C ATOM 0 H THR A 91 1.761 -10.602 3.986 1.00 0.00 H new ATOM 0 HA THR A 91 3.189 -11.812 6.334 1.00 0.00 H new ATOM 0 HB THR A 91 1.273 -12.981 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.491 -13.193 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 91 -0.783 -11.981 5.746 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.362 -10.740 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.182 -11.059 4.569 1.00 0.00 H new ATOM 1327 N PRO A 92 3.753 -14.030 5.079 1.00 0.00 N ATOM 1328 CA PRO A 92 4.545 -15.044 4.376 1.00 0.00 C ATOM 1329 C PRO A 92 3.675 -15.781 3.352 1.00 0.00 C ATOM 1330 O PRO A 92 4.177 -16.514 2.523 1.00 0.00 O ATOM 1331 CB PRO A 92 4.998 -15.971 5.494 1.00 0.00 C ATOM 1332 CG PRO A 92 3.994 -15.811 6.590 1.00 0.00 C ATOM 1333 CD PRO A 92 3.336 -14.469 6.415 1.00 0.00 C ATOM 0 HA PRO A 92 5.382 -14.632 3.812 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.041 -17.005 5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.998 -15.708 5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.252 -16.609 6.549 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.478 -15.876 7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.251 -14.546 6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.658 -13.765 7.183 1.00 0.00 H new ATOM 1341 N GLU A 93 2.381 -15.565 3.362 1.00 0.00 N ATOM 1342 CA GLU A 93 1.538 -16.240 2.329 1.00 0.00 C ATOM 1343 C GLU A 93 1.407 -15.290 1.158 1.00 0.00 C ATOM 1344 O GLU A 93 1.249 -15.678 0.017 1.00 0.00 O ATOM 1345 CB GLU A 93 0.141 -16.524 2.899 1.00 0.00 C ATOM 1346 CG GLU A 93 -0.102 -15.822 4.222 1.00 0.00 C ATOM 1347 CD GLU A 93 -1.237 -16.522 4.971 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -2.312 -16.635 4.407 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -1.011 -16.935 6.097 1.00 0.00 O ATOM 0 H GLU A 93 1.884 -14.967 4.022 1.00 0.00 H new ATOM 0 HA GLU A 93 1.994 -17.182 2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.613 -16.206 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.019 -17.599 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.807 -15.834 4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.357 -14.776 4.049 1.00 0.00 H new ATOM 1356 N LEU A 94 1.457 -14.033 1.466 1.00 0.00 N ATOM 1357 CA LEU A 94 1.321 -12.990 0.427 1.00 0.00 C ATOM 1358 C LEU A 94 2.670 -12.627 -0.146 1.00 0.00 C ATOM 1359 O LEU A 94 2.892 -11.530 -0.618 1.00 0.00 O ATOM 1360 CB LEU A 94 0.693 -11.815 1.165 1.00 0.00 C ATOM 1361 CG LEU A 94 -0.721 -12.220 1.486 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -1.365 -11.216 2.427 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -1.462 -12.259 0.175 1.00 0.00 C ATOM 0 H LEU A 94 1.589 -13.678 2.413 1.00 0.00 H new ATOM 0 HA LEU A 94 0.719 -13.312 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.248 -11.587 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.709 -10.916 0.549 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.746 -13.189 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.386 -11.527 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.793 -11.167 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.378 -10.233 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.498 -12.549 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.435 -11.272 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.990 -12.984 -0.488 1.00 0.00 H new ATOM 1375 N ASP A 95 3.575 -13.547 -0.135 1.00 0.00 N ATOM 1376 CA ASP A 95 4.886 -13.247 -0.722 1.00 0.00 C ATOM 1377 C ASP A 95 4.701 -12.974 -2.220 1.00 0.00 C ATOM 1378 O ASP A 95 4.491 -13.882 -3.000 1.00 0.00 O ATOM 1379 CB ASP A 95 5.742 -14.491 -0.484 1.00 0.00 C ATOM 1380 CG ASP A 95 5.160 -15.670 -1.265 1.00 0.00 C ATOM 1381 OD1 ASP A 95 3.950 -15.825 -1.249 1.00 0.00 O ATOM 1382 OD2 ASP A 95 5.934 -16.398 -1.866 1.00 0.00 O ATOM 0 H ASP A 95 3.464 -14.484 0.252 1.00 0.00 H new ATOM 0 HA ASP A 95 5.360 -12.370 -0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 95 6.769 -14.304 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.773 -14.726 0.580 1.00 0.00 H new ATOM 1387 N GLY A 96 4.783 -11.743 -2.635 1.00 0.00 N ATOM 1388 CA GLY A 96 4.618 -11.438 -4.090 1.00 0.00 C ATOM 1389 C GLY A 96 3.512 -10.395 -4.299 1.00 0.00 C ATOM 1390 O GLY A 96 3.005 -10.214 -5.389 1.00 0.00 O ATOM 0 H GLY A 96 4.956 -10.935 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.558 -11.067 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.373 -12.351 -4.633 1.00 0.00 H new ATOM 1394 N ILE A 97 3.151 -9.709 -3.259 1.00 0.00 N ATOM 1395 CA ILE A 97 2.098 -8.666 -3.336 1.00 0.00 C ATOM 1396 C ILE A 97 2.371 -7.673 -4.453 1.00 0.00 C ATOM 1397 O ILE A 97 3.485 -7.280 -4.701 1.00 0.00 O ATOM 1398 CB ILE A 97 2.144 -7.965 -1.958 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.603 -6.542 -2.049 1.00 0.00 C ATOM 1400 CG2 ILE A 97 3.575 -7.888 -1.467 1.00 0.00 C ATOM 1401 CD1 ILE A 97 0.284 -6.577 -2.778 1.00 0.00 C ATOM 0 H ILE A 97 3.554 -9.831 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 97 1.121 -9.096 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 97 1.530 -8.547 -1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.473 -6.122 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.310 -5.901 -2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.600 -7.393 -0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.982 -8.895 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.174 -7.320 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.118 -5.566 -2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.432 -6.983 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.417 -7.207 -2.231 1.00 0.00 H new ATOM 1413 N VAL A 98 1.335 -7.252 -5.108 1.00 0.00 N ATOM 1414 CA VAL A 98 1.478 -6.262 -6.190 1.00 0.00 C ATOM 1415 C VAL A 98 0.741 -4.995 -5.747 1.00 0.00 C ATOM 1416 O VAL A 98 -0.469 -4.992 -5.626 1.00 0.00 O ATOM 1417 CB VAL A 98 0.794 -6.910 -7.394 1.00 0.00 C ATOM 1418 CG1 VAL A 98 1.344 -6.302 -8.685 1.00 0.00 C ATOM 1419 CG2 VAL A 98 1.052 -8.430 -7.392 1.00 0.00 C ATOM 0 H VAL A 98 0.379 -7.560 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 98 2.507 -5.993 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.279 -6.729 -7.333 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.855 -6.765 -9.542 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.151 -5.229 -8.693 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.418 -6.478 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.561 -8.884 -8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.124 -8.617 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.653 -8.866 -6.476 1.00 0.00 H new ATOM 1429 N VAL A 99 1.441 -3.928 -5.475 1.00 0.00 N ATOM 1430 CA VAL A 99 0.736 -2.695 -5.010 1.00 0.00 C ATOM 1431 C VAL A 99 0.557 -1.735 -6.171 1.00 0.00 C ATOM 1432 O VAL A 99 1.309 -1.745 -7.118 1.00 0.00 O ATOM 1433 CB VAL A 99 1.611 -2.057 -3.927 1.00 0.00 C ATOM 1434 CG1 VAL A 99 0.691 -1.582 -2.812 1.00 0.00 C ATOM 1435 CG2 VAL A 99 2.609 -3.064 -3.348 1.00 0.00 C ATOM 0 H VAL A 99 2.455 -3.854 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.252 -2.935 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 99 2.177 -1.234 -4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.284 -1.121 -2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.015 -0.852 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.143 -2.432 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.214 -2.578 -2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.067 -3.900 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.257 -3.432 -4.143 1.00 0.00 H new ATOM 1445 N ASP A 100 -0.444 -0.915 -6.112 1.00 0.00 N ATOM 1446 CA ASP A 100 -0.679 0.033 -7.229 1.00 0.00 C ATOM 1447 C ASP A 100 -0.684 1.462 -6.729 1.00 0.00 C ATOM 1448 O ASP A 100 -1.386 1.813 -5.805 1.00 0.00 O ATOM 1449 CB ASP A 100 -2.035 -0.355 -7.799 1.00 0.00 C ATOM 1450 CG ASP A 100 -1.850 -0.974 -9.185 1.00 0.00 C ATOM 1451 OD1 ASP A 100 -1.274 -2.047 -9.261 1.00 0.00 O ATOM 1452 OD2 ASP A 100 -2.288 -0.365 -10.147 1.00 0.00 O ATOM 0 H ASP A 100 -1.110 -0.858 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 100 0.106 -0.020 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.530 -1.064 -7.136 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.678 0.523 -7.864 1.00 0.00 H new ATOM 1457 N VAL A 101 0.091 2.291 -7.339 1.00 0.00 N ATOM 1458 CA VAL A 101 0.128 3.706 -6.905 1.00 0.00 C ATOM 1459 C VAL A 101 -0.770 4.550 -7.816 1.00 0.00 C ATOM 1460 O VAL A 101 -0.827 4.335 -9.010 1.00 0.00 O ATOM 1461 CB VAL A 101 1.587 4.112 -7.032 1.00 0.00 C ATOM 1462 CG1 VAL A 101 1.713 5.617 -6.834 1.00 0.00 C ATOM 1463 CG2 VAL A 101 2.409 3.380 -5.968 1.00 0.00 C ATOM 0 H VAL A 101 0.703 2.056 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.237 3.850 -5.888 1.00 0.00 H new ATOM 0 HB VAL A 101 1.958 3.847 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.759 5.910 -6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.124 6.134 -7.592 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.346 5.886 -5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.457 3.668 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.041 3.646 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.316 2.304 -6.113 1.00 0.00 H new ATOM 1473 N PRO A 102 -1.469 5.463 -7.204 1.00 0.00 N ATOM 1474 CA PRO A 102 -2.413 6.337 -7.929 1.00 0.00 C ATOM 1475 C PRO A 102 -1.742 7.621 -8.415 1.00 0.00 C ATOM 1476 O PRO A 102 -0.604 7.906 -8.099 1.00 0.00 O ATOM 1477 CB PRO A 102 -3.436 6.678 -6.859 1.00 0.00 C ATOM 1478 CG PRO A 102 -2.712 6.550 -5.550 1.00 0.00 C ATOM 1479 CD PRO A 102 -1.451 5.762 -5.781 1.00 0.00 C ATOM 0 HA PRO A 102 -2.823 5.858 -8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -3.823 7.688 -6.995 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.289 6.001 -6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.475 7.536 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.343 6.050 -4.815 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.567 6.337 -5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.436 4.851 -5.183 1.00 0.00 H new ATOM 1487 N ASP A 103 -2.465 8.414 -9.158 1.00 0.00 N ATOM 1488 CA ASP A 103 -1.910 9.706 -9.644 1.00 0.00 C ATOM 1489 C ASP A 103 -2.250 10.802 -8.634 1.00 0.00 C ATOM 1490 O ASP A 103 -1.643 11.854 -8.611 1.00 0.00 O ATOM 1491 CB ASP A 103 -2.608 9.966 -10.981 1.00 0.00 C ATOM 1492 CG ASP A 103 -4.123 9.898 -10.786 1.00 0.00 C ATOM 1493 OD1 ASP A 103 -4.594 8.887 -10.293 1.00 0.00 O ATOM 1494 OD2 ASP A 103 -4.789 10.861 -11.135 1.00 0.00 O ATOM 0 H ASP A 103 -3.423 8.219 -9.450 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.826 9.687 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.324 10.945 -11.368 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.292 9.228 -11.718 1.00 0.00 H new ATOM 1499 N ARG A 104 -3.207 10.545 -7.781 1.00 0.00 N ATOM 1500 CA ARG A 104 -3.583 11.540 -6.750 1.00 0.00 C ATOM 1501 C ARG A 104 -3.169 10.983 -5.400 1.00 0.00 C ATOM 1502 O ARG A 104 -3.999 10.639 -4.585 1.00 0.00 O ATOM 1503 CB ARG A 104 -5.111 11.684 -6.816 1.00 0.00 C ATOM 1504 CG ARG A 104 -5.606 11.638 -8.268 1.00 0.00 C ATOM 1505 CD ARG A 104 -6.092 13.026 -8.682 1.00 0.00 C ATOM 1506 NE ARG A 104 -4.932 13.913 -8.417 1.00 0.00 N ATOM 1507 CZ ARG A 104 -5.009 15.190 -8.673 1.00 0.00 C ATOM 1508 NH1 ARG A 104 -6.170 15.740 -8.907 1.00 0.00 N ATOM 1509 NH2 ARG A 104 -3.927 15.918 -8.694 1.00 0.00 N ATOM 0 H ARG A 104 -3.745 9.679 -7.760 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.104 12.507 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.580 10.884 -6.243 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -5.411 12.625 -6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.803 11.310 -8.928 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.414 10.913 -8.366 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.379 13.050 -9.733 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.966 13.330 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.071 13.523 -8.033 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.017 15.171 -8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.230 16.738 -9.107 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.020 15.489 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.988 16.916 -8.894 1.00 0.00 H new ATOM 1523 N GLN A 105 -1.897 10.870 -5.158 1.00 0.00 N ATOM 1524 CA GLN A 105 -1.461 10.300 -3.863 1.00 0.00 C ATOM 1525 C GLN A 105 -1.125 11.436 -2.898 1.00 0.00 C ATOM 1526 O GLN A 105 -0.082 11.466 -2.277 1.00 0.00 O ATOM 1527 CB GLN A 105 -0.212 9.480 -4.189 1.00 0.00 C ATOM 1528 CG GLN A 105 0.916 10.419 -4.622 1.00 0.00 C ATOM 1529 CD GLN A 105 1.760 9.738 -5.702 1.00 0.00 C ATOM 1530 OE1 GLN A 105 1.594 8.565 -5.969 1.00 0.00 O ATOM 1531 NE2 GLN A 105 2.666 10.431 -6.337 1.00 0.00 N ATOM 0 H GLN A 105 -1.149 11.145 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.229 9.687 -3.391 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.095 8.903 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -0.430 8.766 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.501 11.352 -5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.540 10.675 -3.765 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.805 11.416 -6.112 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.235 9.987 -7.058 1.00 0.00 H new ATOM 1540 N TRP A 106 -2.025 12.371 -2.782 1.00 0.00 N ATOM 1541 CA TRP A 106 -1.823 13.534 -1.875 1.00 0.00 C ATOM 1542 C TRP A 106 -1.958 13.096 -0.410 1.00 0.00 C ATOM 1543 O TRP A 106 -1.162 13.545 0.398 1.00 0.00 O ATOM 1544 CB TRP A 106 -2.944 14.495 -2.280 1.00 0.00 C ATOM 1545 CG TRP A 106 -4.202 14.071 -1.617 1.00 0.00 C ATOM 1546 CD1 TRP A 106 -5.230 13.402 -2.186 1.00 0.00 C ATOM 1547 CD2 TRP A 106 -4.548 14.275 -0.241 1.00 0.00 C ATOM 1548 NE1 TRP A 106 -6.198 13.186 -1.218 1.00 0.00 N ATOM 1549 CE2 TRP A 106 -5.819 13.718 0.004 1.00 0.00 C ATOM 1550 CE3 TRP A 106 -3.865 14.898 0.804 1.00 0.00 C ATOM 1551 CZ2 TRP A 106 -6.403 13.782 1.271 1.00 0.00 C ATOM 1552 CZ3 TRP A 106 -4.440 14.970 2.079 1.00 0.00 C ATOM 1553 CH2 TRP A 106 -5.710 14.413 2.315 1.00 0.00 C ATOM 1554 OXT TRP A 106 -2.856 12.321 -0.125 1.00 0.00 O ATOM 0 H TRP A 106 -2.910 12.378 -3.288 1.00 0.00 H new ATOM 0 HA TRP A 106 -0.835 13.988 -1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -2.690 15.515 -1.990 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -3.069 14.493 -3.363 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -5.287 13.089 -3.218 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -7.078 12.697 -1.384 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -2.889 15.326 0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -7.378 13.350 1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -3.907 15.455 2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.151 14.471 3.299 1.00 0.00 H new