USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 847 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 95 LYS NZ :NH3+ -122:sc= 0.161 (180deg=-0.019) USER MOD Set 1.2: A 96 TYR OH : rot 165:sc= 0.255 USER MOD Set 2.1: A 23 TYR OH : rot 100:sc= 0.794 USER MOD Set 2.2: A 65 SER OG : rot 165:sc= 0.92 USER MOD Set 3.1: A 3 GLN : amide:sc= -0.338 X(o=-0.62,f=-0.78) USER MOD Set 3.2: A 7 GLN :FLIP amide:sc= -0.286 F(o=-1.2,f=-0.62) USER MOD Single : A 1 MET CE :methyl -135:sc=-0.000756 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.55) USER MOD Single : A 14 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.06) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.0189 (180deg=-0.302) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= 0.106 (180deg=0.00287) USER MOD Single : A 21 SER OG : rot 180:sc= -0.169 USER MOD Single : A 22 THR OG1 : rot -68:sc= -0.341 USER MOD Single : A 28 LYS NZ :NH3+ -122:sc= 0.479 (180deg=-0.142) USER MOD Single : A 29 MET CE :methyl -130:sc= -1.28 (180deg=-3.09) USER MOD Single : A 32 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.009) USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 45 ASN : amide:sc= -0.407 X(o=-0.41,f=-0.38) USER MOD Single : A 50 SER OG : rot 70:sc= 0.57 USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= -0.0236 (180deg=-0.198) USER MOD Single : A 59 ASN : amide:sc= -0.508 K(o=-0.51,f=-8.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00712 USER MOD Single : A 61 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.94) USER MOD Single : A 63 LYS NZ :NH3+ 137:sc= 0.197 (180deg=-0.32) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -3.17 X(o=-3.2,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= 1.96 (180deg=1.27) USER MOD Single : A 76 GLN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 0.613 (180deg=-1.11!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.749 -5.280 16.599 1.00 41.33 N ATOM 2 CA MET A 1 -10.510 -5.797 15.950 1.00 11.11 C ATOM 3 C MET A 1 -10.713 -7.229 15.428 1.00 31.51 C ATOM 4 O MET A 1 -10.536 -8.200 16.163 1.00 11.15 O ATOM 5 CB MET A 1 -9.338 -5.755 16.944 1.00 52.21 C ATOM 6 CG MET A 1 -7.991 -6.119 16.331 1.00 41.04 C ATOM 7 SD MET A 1 -7.543 -5.024 14.968 1.00 42.41 S ATOM 8 CE MET A 1 -5.877 -5.585 14.618 1.00 75.43 C ATOM 0 H1 MET A 1 -11.583 -4.312 16.942 1.00 41.33 H new ATOM 0 H2 MET A 1 -12.526 -5.274 15.908 1.00 41.33 H new ATOM 0 H3 MET A 1 -12.003 -5.892 17.400 1.00 41.33 H new ATOM 0 HA MET A 1 -10.280 -5.157 15.098 1.00 11.11 H new ATOM 0 HB2 MET A 1 -9.273 -4.754 17.371 1.00 52.21 H new ATOM 0 HB3 MET A 1 -9.548 -6.439 17.766 1.00 52.21 H new ATOM 0 HG2 MET A 1 -7.220 -6.073 17.100 1.00 41.04 H new ATOM 0 HG3 MET A 1 -8.023 -7.148 15.973 1.00 41.04 H new ATOM 0 HE1 MET A 1 -5.222 -4.723 14.490 1.00 75.43 H new ATOM 0 HE2 MET A 1 -5.517 -6.195 15.447 1.00 75.43 H new ATOM 0 HE3 MET A 1 -5.878 -6.179 13.704 1.00 75.43 H new ATOM 20 N ASP A 2 -11.106 -7.357 14.161 1.00 34.43 N ATOM 21 CA ASP A 2 -11.322 -8.673 13.544 1.00 52.00 C ATOM 22 C ASP A 2 -9.994 -9.364 13.204 1.00 24.22 C ATOM 23 O ASP A 2 -8.975 -8.702 12.982 1.00 21.14 O ATOM 24 CB ASP A 2 -12.161 -8.526 12.269 1.00 23.44 C ATOM 25 CG ASP A 2 -13.506 -7.881 12.539 1.00 71.02 C ATOM 26 OD1 ASP A 2 -13.593 -6.638 12.505 1.00 12.02 O ATOM 27 OD2 ASP A 2 -14.482 -8.616 12.795 1.00 32.23 O ATOM 0 H ASP A 2 -11.282 -6.568 13.539 1.00 34.43 H new ATOM 0 HA ASP A 2 -11.853 -9.292 14.267 1.00 52.00 H new ATOM 0 HB2 ASP A 2 -11.612 -7.927 11.542 1.00 23.44 H new ATOM 0 HB3 ASP A 2 -12.314 -9.508 11.822 1.00 23.44 H new ATOM 32 N GLN A 3 -10.009 -10.696 13.152 1.00 45.43 N ATOM 33 CA GLN A 3 -8.828 -11.461 12.738 1.00 52.33 C ATOM 34 C GLN A 3 -8.388 -11.039 11.325 1.00 72.12 C ATOM 35 O GLN A 3 -7.207 -11.098 10.984 1.00 41.12 O ATOM 36 CB GLN A 3 -9.117 -12.969 12.782 1.00 44.33 C ATOM 37 CG GLN A 3 -7.891 -13.845 12.527 1.00 45.32 C ATOM 38 CD GLN A 3 -6.776 -13.617 13.537 1.00 44.11 C ATOM 39 OE1 GLN A 3 -7.018 -13.262 14.688 1.00 64.23 O ATOM 40 NE2 GLN A 3 -5.544 -13.829 13.123 1.00 41.02 N ATOM 0 H GLN A 3 -10.820 -11.267 13.390 1.00 45.43 H new ATOM 0 HA GLN A 3 -8.017 -11.248 13.434 1.00 52.33 H new ATOM 0 HB2 GLN A 3 -9.534 -13.220 13.757 1.00 44.33 H new ATOM 0 HB3 GLN A 3 -9.880 -13.204 12.039 1.00 44.33 H new ATOM 0 HG2 GLN A 3 -8.189 -14.893 12.553 1.00 45.32 H new ATOM 0 HG3 GLN A 3 -7.512 -13.646 11.525 1.00 45.32 H new ATOM 0 HE21 GLN A 3 -5.373 -14.123 12.162 1.00 41.02 H new ATOM 0 HE22 GLN A 3 -4.761 -13.699 13.764 1.00 41.02 H new ATOM 49 N PHE A 4 -9.359 -10.620 10.511 1.00 0.12 N ATOM 50 CA PHE A 4 -9.094 -10.019 9.198 1.00 22.43 C ATOM 51 C PHE A 4 -8.063 -8.889 9.313 1.00 44.52 C ATOM 52 O PHE A 4 -7.060 -8.871 8.599 1.00 4.20 O ATOM 53 CB PHE A 4 -10.406 -9.482 8.599 1.00 33.14 C ATOM 54 CG PHE A 4 -10.230 -8.668 7.339 1.00 33.21 C ATOM 55 CD1 PHE A 4 -9.904 -9.281 6.138 1.00 25.45 C ATOM 56 CD2 PHE A 4 -10.399 -7.288 7.357 1.00 62.12 C ATOM 57 CE1 PHE A 4 -9.749 -8.535 4.984 1.00 3.54 C ATOM 58 CE2 PHE A 4 -10.245 -6.540 6.206 1.00 63.41 C ATOM 59 CZ PHE A 4 -9.919 -7.164 5.018 1.00 33.33 C ATOM 0 H PHE A 4 -10.350 -10.687 10.741 1.00 0.12 H new ATOM 0 HA PHE A 4 -8.685 -10.786 8.540 1.00 22.43 H new ATOM 0 HB2 PHE A 4 -11.064 -10.324 8.384 1.00 33.14 H new ATOM 0 HB3 PHE A 4 -10.908 -8.868 9.347 1.00 33.14 H new ATOM 0 HD1 PHE A 4 -9.770 -10.352 6.104 1.00 25.45 H new ATOM 0 HD2 PHE A 4 -10.654 -6.794 8.283 1.00 62.12 H new ATOM 0 HE1 PHE A 4 -9.495 -9.024 4.055 1.00 3.54 H new ATOM 0 HE2 PHE A 4 -10.379 -5.469 6.235 1.00 63.41 H new ATOM 0 HZ PHE A 4 -9.797 -6.581 4.117 1.00 33.33 H new ATOM 69 N LEU A 5 -8.317 -7.961 10.232 1.00 24.53 N ATOM 70 CA LEU A 5 -7.411 -6.838 10.474 1.00 71.12 C ATOM 71 C LEU A 5 -6.037 -7.331 10.950 1.00 51.11 C ATOM 72 O LEU A 5 -5.003 -6.918 10.431 1.00 22.02 O ATOM 73 CB LEU A 5 -8.016 -5.884 11.514 1.00 63.21 C ATOM 74 CG LEU A 5 -9.379 -5.279 11.138 1.00 64.32 C ATOM 75 CD1 LEU A 5 -9.896 -4.372 12.252 1.00 2.11 C ATOM 76 CD2 LEU A 5 -9.288 -4.515 9.818 1.00 15.14 C ATOM 0 H LEU A 5 -9.147 -7.964 10.825 1.00 24.53 H new ATOM 0 HA LEU A 5 -7.276 -6.303 9.534 1.00 71.12 H new ATOM 0 HB2 LEU A 5 -8.123 -6.421 12.456 1.00 63.21 H new ATOM 0 HB3 LEU A 5 -7.312 -5.070 11.689 1.00 63.21 H new ATOM 0 HG LEU A 5 -10.088 -6.097 11.009 1.00 64.32 H new ATOM 0 HD11 LEU A 5 -10.861 -3.955 11.964 1.00 2.11 H new ATOM 0 HD12 LEU A 5 -10.010 -4.950 13.169 1.00 2.11 H new ATOM 0 HD13 LEU A 5 -9.187 -3.562 12.420 1.00 2.11 H new ATOM 0 HD21 LEU A 5 -10.264 -4.096 9.572 1.00 15.14 H new ATOM 0 HD22 LEU A 5 -8.560 -3.709 9.914 1.00 15.14 H new ATOM 0 HD23 LEU A 5 -8.975 -5.194 9.025 1.00 15.14 H new ATOM 88 N VAL A 6 -6.042 -8.230 11.932 1.00 55.45 N ATOM 89 CA VAL A 6 -4.800 -8.797 12.475 1.00 20.32 C ATOM 90 C VAL A 6 -3.920 -9.405 11.366 1.00 54.44 C ATOM 91 O VAL A 6 -2.714 -9.154 11.303 1.00 64.53 O ATOM 92 CB VAL A 6 -5.101 -9.886 13.539 1.00 53.33 C ATOM 93 CG1 VAL A 6 -3.809 -10.408 14.168 1.00 34.44 C ATOM 94 CG2 VAL A 6 -6.049 -9.348 14.612 1.00 35.44 C ATOM 0 H VAL A 6 -6.891 -8.585 12.371 1.00 55.45 H new ATOM 0 HA VAL A 6 -4.258 -7.975 12.942 1.00 20.32 H new ATOM 0 HB VAL A 6 -5.592 -10.720 13.038 1.00 53.33 H new ATOM 0 HG11 VAL A 6 -4.048 -11.170 14.910 1.00 34.44 H new ATOM 0 HG12 VAL A 6 -3.176 -10.841 13.393 1.00 34.44 H new ATOM 0 HG13 VAL A 6 -3.281 -9.585 14.650 1.00 34.44 H new ATOM 0 HG21 VAL A 6 -6.246 -10.128 15.347 1.00 35.44 H new ATOM 0 HG22 VAL A 6 -5.591 -8.491 15.106 1.00 35.44 H new ATOM 0 HG23 VAL A 6 -6.986 -9.041 14.148 1.00 35.44 H new ATOM 104 N GLN A 7 -4.539 -10.190 10.483 1.00 73.32 N ATOM 105 CA GLN A 7 -3.820 -10.857 9.390 1.00 32.41 C ATOM 106 C GLN A 7 -3.252 -9.854 8.371 1.00 43.45 C ATOM 107 O GLN A 7 -2.042 -9.821 8.134 1.00 3.31 O ATOM 108 CB GLN A 7 -4.746 -11.855 8.676 1.00 43.41 C ATOM 109 CG GLN A 7 -5.195 -13.025 9.546 1.00 54.41 C ATOM 110 CD GLN A 7 -4.036 -13.873 10.039 1.00 60.51 C ATOM 111 OE1 GLN A 7 -3.505 -13.546 11.201 1.00 75.53 O flip ATOM 112 NE2 GLN A 7 -3.620 -14.818 9.380 1.00 22.15 N flip ATOM 0 H GLN A 7 -5.541 -10.382 10.502 1.00 73.32 H new ATOM 0 HA GLN A 7 -2.979 -11.389 9.835 1.00 32.41 H new ATOM 0 HB2 GLN A 7 -5.628 -11.323 8.319 1.00 43.41 H new ATOM 0 HB3 GLN A 7 -4.232 -12.246 7.798 1.00 43.41 H new ATOM 0 HG2 GLN A 7 -5.749 -12.642 10.403 1.00 54.41 H new ATOM 0 HG3 GLN A 7 -5.881 -13.652 8.977 1.00 54.41 H new ATOM 0 HE21 GLN A 7 -4.053 -15.045 8.485 1.00 22.15 H new ATOM 0 HE22 GLN A 7 -2.841 -15.378 9.727 1.00 22.15 H new ATOM 121 N ILE A 8 -4.122 -9.035 7.771 1.00 62.42 N ATOM 122 CA ILE A 8 -3.687 -8.079 6.742 1.00 63.34 C ATOM 123 C ILE A 8 -2.598 -7.129 7.272 1.00 74.31 C ATOM 124 O ILE A 8 -1.627 -6.838 6.572 1.00 45.32 O ATOM 125 CB ILE A 8 -4.871 -7.250 6.167 1.00 20.33 C ATOM 126 CG1 ILE A 8 -5.557 -6.419 7.267 1.00 71.51 C ATOM 127 CG2 ILE A 8 -5.878 -8.170 5.476 1.00 73.23 C ATOM 128 CD1 ILE A 8 -6.712 -5.568 6.773 1.00 72.22 C ATOM 0 H ILE A 8 -5.121 -9.013 7.975 1.00 62.42 H new ATOM 0 HA ILE A 8 -3.268 -8.678 5.934 1.00 63.34 H new ATOM 0 HB ILE A 8 -4.470 -6.555 5.429 1.00 20.33 H new ATOM 0 HG12 ILE A 8 -5.922 -7.093 8.042 1.00 71.51 H new ATOM 0 HG13 ILE A 8 -4.815 -5.770 7.733 1.00 71.51 H new ATOM 0 HG21 ILE A 8 -6.701 -7.576 5.079 1.00 73.23 H new ATOM 0 HG22 ILE A 8 -5.386 -8.700 4.660 1.00 73.23 H new ATOM 0 HG23 ILE A 8 -6.266 -8.891 6.196 1.00 73.23 H new ATOM 0 HD11 ILE A 8 -7.140 -5.015 7.609 1.00 72.22 H new ATOM 0 HD12 ILE A 8 -6.351 -4.867 6.020 1.00 72.22 H new ATOM 0 HD13 ILE A 8 -7.476 -6.210 6.334 1.00 72.22 H new ATOM 140 N PHE A 9 -2.748 -6.669 8.518 1.00 25.44 N ATOM 141 CA PHE A 9 -1.742 -5.803 9.146 1.00 21.35 C ATOM 142 C PHE A 9 -0.407 -6.541 9.327 1.00 32.34 C ATOM 143 O PHE A 9 0.663 -5.975 9.094 1.00 24.45 O ATOM 144 CB PHE A 9 -2.236 -5.281 10.506 1.00 21.14 C ATOM 145 CG PHE A 9 -3.457 -4.390 10.436 1.00 1.20 C ATOM 146 CD1 PHE A 9 -3.906 -3.873 9.226 1.00 61.11 C ATOM 147 CD2 PHE A 9 -4.153 -4.063 11.593 1.00 74.05 C ATOM 148 CE1 PHE A 9 -5.019 -3.055 9.175 1.00 70.34 C ATOM 149 CE2 PHE A 9 -5.266 -3.245 11.544 1.00 34.33 C ATOM 150 CZ PHE A 9 -5.700 -2.742 10.334 1.00 41.21 C ATOM 0 H PHE A 9 -3.551 -6.880 9.110 1.00 25.44 H new ATOM 0 HA PHE A 9 -1.583 -4.955 8.480 1.00 21.35 H new ATOM 0 HB2 PHE A 9 -2.461 -6.133 11.147 1.00 21.14 H new ATOM 0 HB3 PHE A 9 -1.427 -4.728 10.983 1.00 21.14 H new ATOM 0 HD1 PHE A 9 -3.379 -4.114 8.315 1.00 61.11 H new ATOM 0 HD2 PHE A 9 -3.820 -4.453 12.543 1.00 74.05 H new ATOM 0 HE1 PHE A 9 -5.356 -2.661 8.228 1.00 70.34 H new ATOM 0 HE2 PHE A 9 -5.796 -2.999 12.452 1.00 34.33 H new ATOM 0 HZ PHE A 9 -6.571 -2.105 10.294 1.00 41.21 H new ATOM 160 N ALA A 10 -0.476 -7.808 9.738 1.00 74.44 N ATOM 161 CA ALA A 10 0.725 -8.639 9.893 1.00 1.11 C ATOM 162 C ALA A 10 1.495 -8.752 8.569 1.00 25.42 C ATOM 163 O ALA A 10 2.726 -8.795 8.550 1.00 34.44 O ATOM 164 CB ALA A 10 0.354 -10.024 10.411 1.00 54.11 C ATOM 0 H ALA A 10 -1.348 -8.283 9.970 1.00 74.44 H new ATOM 0 HA ALA A 10 1.375 -8.156 10.622 1.00 1.11 H new ATOM 0 HB1 ALA A 10 1.256 -10.626 10.520 1.00 54.11 H new ATOM 0 HB2 ALA A 10 -0.138 -9.931 11.379 1.00 54.11 H new ATOM 0 HB3 ALA A 10 -0.322 -10.507 9.705 1.00 54.11 H new ATOM 170 N VAL A 11 0.758 -8.802 7.462 1.00 0.31 N ATOM 171 CA VAL A 11 1.365 -8.799 6.127 1.00 21.34 C ATOM 172 C VAL A 11 2.014 -7.437 5.821 1.00 63.21 C ATOM 173 O VAL A 11 3.123 -7.369 5.289 1.00 63.51 O ATOM 174 CB VAL A 11 0.319 -9.129 5.030 1.00 20.12 C ATOM 175 CG1 VAL A 11 0.966 -9.168 3.644 1.00 15.33 C ATOM 176 CG2 VAL A 11 -0.386 -10.452 5.336 1.00 60.42 C ATOM 0 H VAL A 11 -0.261 -8.845 7.460 1.00 0.31 H new ATOM 0 HA VAL A 11 2.134 -9.572 6.122 1.00 21.34 H new ATOM 0 HB VAL A 11 -0.427 -8.335 5.028 1.00 20.12 H new ATOM 0 HG11 VAL A 11 0.209 -9.402 2.895 1.00 15.33 H new ATOM 0 HG12 VAL A 11 1.409 -8.197 3.422 1.00 15.33 H new ATOM 0 HG13 VAL A 11 1.742 -9.933 3.626 1.00 15.33 H new ATOM 0 HG21 VAL A 11 -1.115 -10.665 4.555 1.00 60.42 H new ATOM 0 HG22 VAL A 11 0.349 -11.256 5.375 1.00 60.42 H new ATOM 0 HG23 VAL A 11 -0.895 -10.379 6.297 1.00 60.42 H new ATOM 186 N ILE A 12 1.321 -6.356 6.179 1.00 13.34 N ATOM 187 CA ILE A 12 1.831 -4.993 5.969 1.00 11.20 C ATOM 188 C ILE A 12 3.158 -4.752 6.720 1.00 10.12 C ATOM 189 O ILE A 12 4.069 -4.102 6.200 1.00 61.33 O ATOM 190 CB ILE A 12 0.789 -3.932 6.411 1.00 61.32 C ATOM 191 CG1 ILE A 12 -0.519 -4.105 5.619 1.00 12.34 C ATOM 192 CG2 ILE A 12 1.344 -2.519 6.231 1.00 21.43 C ATOM 193 CD1 ILE A 12 -1.624 -3.159 6.040 1.00 33.12 C ATOM 0 H ILE A 12 0.401 -6.394 6.618 1.00 13.34 H new ATOM 0 HA ILE A 12 2.017 -4.891 4.900 1.00 11.20 H new ATOM 0 HB ILE A 12 0.576 -4.080 7.470 1.00 61.32 H new ATOM 0 HG12 ILE A 12 -0.312 -3.957 4.559 1.00 12.34 H new ATOM 0 HG13 ILE A 12 -0.869 -5.131 5.735 1.00 12.34 H new ATOM 0 HG21 ILE A 12 0.596 -1.791 6.547 1.00 21.43 H new ATOM 0 HG22 ILE A 12 2.243 -2.402 6.836 1.00 21.43 H new ATOM 0 HG23 ILE A 12 1.589 -2.355 5.182 1.00 21.43 H new ATOM 0 HD11 ILE A 12 -2.512 -3.344 5.435 1.00 33.12 H new ATOM 0 HD12 ILE A 12 -1.861 -3.322 7.091 1.00 33.12 H new ATOM 0 HD13 ILE A 12 -1.296 -2.129 5.897 1.00 33.12 H new ATOM 205 N HIS A 13 3.269 -5.285 7.940 1.00 34.41 N ATOM 206 CA HIS A 13 4.515 -5.178 8.722 1.00 42.32 C ATOM 207 C HIS A 13 5.703 -5.855 8.010 1.00 45.53 C ATOM 208 O HIS A 13 6.860 -5.613 8.352 1.00 25.34 O ATOM 209 CB HIS A 13 4.337 -5.793 10.120 1.00 24.54 C ATOM 210 CG HIS A 13 3.484 -4.978 11.046 1.00 12.45 C ATOM 211 ND1 HIS A 13 3.923 -3.778 11.549 1.00 50.21 N ATOM 212 CD2 HIS A 13 2.251 -5.239 11.544 1.00 74.11 C ATOM 213 CE1 HIS A 13 2.959 -3.338 12.337 1.00 11.41 C ATOM 214 NE2 HIS A 13 1.925 -4.189 12.365 1.00 61.11 N ATOM 0 H HIS A 13 2.519 -5.793 8.410 1.00 34.41 H new ATOM 0 HA HIS A 13 4.736 -4.115 8.819 1.00 42.32 H new ATOM 0 HB2 HIS A 13 3.895 -6.784 10.015 1.00 24.54 H new ATOM 0 HB3 HIS A 13 5.319 -5.928 10.573 1.00 24.54 H new ATOM 0 HD2 HIS A 13 1.642 -6.106 11.335 1.00 74.11 H new ATOM 0 HE1 HIS A 13 2.999 -2.410 12.889 1.00 11.41 H new ATOM 0 HE2 HIS A 13 1.061 -4.078 12.895 1.00 61.11 H new ATOM 222 N GLN A 14 5.408 -6.697 7.019 1.00 14.24 N ATOM 223 CA GLN A 14 6.444 -7.444 6.293 1.00 31.42 C ATOM 224 C GLN A 14 6.873 -6.743 4.986 1.00 43.11 C ATOM 225 O GLN A 14 7.740 -7.247 4.267 1.00 23.23 O ATOM 226 CB GLN A 14 5.940 -8.867 6.001 1.00 70.22 C ATOM 227 CG GLN A 14 5.771 -9.721 7.256 1.00 44.41 C ATOM 228 CD GLN A 14 5.104 -11.062 6.985 1.00 63.22 C ATOM 229 OE1 GLN A 14 5.761 -12.045 6.662 1.00 61.14 O ATOM 230 NE2 GLN A 14 3.796 -11.120 7.141 1.00 71.31 N ATOM 0 H GLN A 14 4.458 -6.881 6.697 1.00 14.24 H new ATOM 0 HA GLN A 14 7.329 -7.487 6.928 1.00 31.42 H new ATOM 0 HB2 GLN A 14 4.984 -8.806 5.481 1.00 70.22 H new ATOM 0 HB3 GLN A 14 6.639 -9.361 5.326 1.00 70.22 H new ATOM 0 HG2 GLN A 14 6.749 -9.893 7.704 1.00 44.41 H new ATOM 0 HG3 GLN A 14 5.179 -9.169 7.986 1.00 44.41 H new ATOM 0 HE21 GLN A 14 3.277 -10.284 7.410 1.00 71.31 H new ATOM 0 HE22 GLN A 14 3.303 -12.001 6.992 1.00 71.31 H new ATOM 239 N ILE A 15 6.281 -5.583 4.686 1.00 71.54 N ATOM 240 CA ILE A 15 6.645 -4.812 3.483 1.00 20.02 C ATOM 241 C ILE A 15 8.020 -4.127 3.650 1.00 3.54 C ATOM 242 O ILE A 15 8.202 -3.296 4.542 1.00 23.41 O ATOM 243 CB ILE A 15 5.578 -3.731 3.152 1.00 65.44 C ATOM 244 CG1 ILE A 15 4.182 -4.365 3.012 1.00 1.30 C ATOM 245 CG2 ILE A 15 5.954 -2.972 1.878 1.00 54.41 C ATOM 246 CD1 ILE A 15 4.061 -5.361 1.878 1.00 44.21 C ATOM 0 H ILE A 15 5.550 -5.155 5.254 1.00 71.54 H new ATOM 0 HA ILE A 15 6.695 -5.525 2.660 1.00 20.02 H new ATOM 0 HB ILE A 15 5.548 -3.021 3.978 1.00 65.44 H new ATOM 0 HG12 ILE A 15 3.927 -4.864 3.947 1.00 1.30 H new ATOM 0 HG13 ILE A 15 3.449 -3.572 2.863 1.00 1.30 H new ATOM 0 HG21 ILE A 15 5.194 -2.220 1.665 1.00 54.41 H new ATOM 0 HG22 ILE A 15 6.919 -2.484 2.017 1.00 54.41 H new ATOM 0 HG23 ILE A 15 6.018 -3.671 1.044 1.00 54.41 H new ATOM 0 HD11 ILE A 15 3.047 -5.759 1.850 1.00 44.21 H new ATOM 0 HD12 ILE A 15 4.282 -4.865 0.933 1.00 44.21 H new ATOM 0 HD13 ILE A 15 4.767 -6.177 2.033 1.00 44.21 H new ATOM 258 N PRO A 16 9.003 -4.455 2.785 1.00 32.22 N ATOM 259 CA PRO A 16 10.382 -3.949 2.908 1.00 15.40 C ATOM 260 C PRO A 16 10.600 -2.536 2.322 1.00 13.52 C ATOM 261 O PRO A 16 9.681 -1.911 1.783 1.00 73.03 O ATOM 262 CB PRO A 16 11.179 -4.992 2.124 1.00 14.53 C ATOM 263 CG PRO A 16 10.253 -5.416 1.035 1.00 63.33 C ATOM 264 CD PRO A 16 8.858 -5.353 1.619 1.00 23.14 C ATOM 0 HA PRO A 16 10.674 -3.830 3.951 1.00 15.40 H new ATOM 0 HB2 PRO A 16 12.100 -4.570 1.722 1.00 14.53 H new ATOM 0 HB3 PRO A 16 11.463 -5.834 2.756 1.00 14.53 H new ATOM 0 HG2 PRO A 16 10.343 -4.759 0.170 1.00 63.33 H new ATOM 0 HG3 PRO A 16 10.488 -6.425 0.695 1.00 63.33 H new ATOM 0 HD2 PRO A 16 8.140 -4.960 0.899 1.00 23.14 H new ATOM 0 HD3 PRO A 16 8.504 -6.340 1.916 1.00 23.14 H new ATOM 272 N LYS A 17 11.843 -2.054 2.414 1.00 21.35 N ATOM 273 CA LYS A 17 12.198 -0.684 2.025 1.00 54.42 C ATOM 274 C LYS A 17 12.244 -0.520 0.492 1.00 25.54 C ATOM 275 O LYS A 17 12.881 -1.305 -0.212 1.00 23.05 O ATOM 276 CB LYS A 17 13.556 -0.327 2.668 1.00 71.02 C ATOM 277 CG LYS A 17 14.002 1.133 2.522 1.00 13.03 C ATOM 278 CD LYS A 17 14.549 1.447 1.129 1.00 53.34 C ATOM 279 CE LYS A 17 15.209 2.820 1.069 1.00 31.44 C ATOM 280 NZ LYS A 17 16.432 2.881 1.911 1.00 33.04 N ATOM 0 H LYS A 17 12.631 -2.601 2.760 1.00 21.35 H new ATOM 0 HA LYS A 17 11.430 0.001 2.384 1.00 54.42 H new ATOM 0 HB2 LYS A 17 13.508 -0.568 3.730 1.00 71.02 H new ATOM 0 HB3 LYS A 17 14.323 -0.967 2.231 1.00 71.02 H new ATOM 0 HG2 LYS A 17 13.158 1.789 2.733 1.00 13.03 H new ATOM 0 HG3 LYS A 17 14.768 1.351 3.266 1.00 13.03 H new ATOM 0 HD2 LYS A 17 15.273 0.684 0.844 1.00 53.34 H new ATOM 0 HD3 LYS A 17 13.737 1.403 0.403 1.00 53.34 H new ATOM 0 HE2 LYS A 17 15.467 3.055 0.036 1.00 31.44 H new ATOM 0 HE3 LYS A 17 14.501 3.579 1.401 1.00 31.44 H new ATOM 0 HZ1 LYS A 17 17.005 3.703 1.633 1.00 33.04 H new ATOM 0 HZ2 LYS A 17 16.161 2.971 2.911 1.00 33.04 H new ATOM 0 HZ3 LYS A 17 16.988 2.012 1.780 1.00 33.04 H new ATOM 294 N GLY A 18 11.564 0.509 -0.015 1.00 52.32 N ATOM 295 CA GLY A 18 11.588 0.800 -1.451 1.00 13.21 C ATOM 296 C GLY A 18 10.688 -0.113 -2.280 1.00 25.31 C ATOM 297 O GLY A 18 10.682 -0.039 -3.511 1.00 31.41 O ATOM 0 H GLY A 18 10.995 1.149 0.539 1.00 52.32 H new ATOM 0 HA2 GLY A 18 11.283 1.835 -1.608 1.00 13.21 H new ATOM 0 HA3 GLY A 18 12.612 0.711 -1.813 1.00 13.21 H new ATOM 301 N LYS A 19 9.935 -0.979 -1.608 1.00 64.42 N ATOM 302 CA LYS A 19 8.993 -1.881 -2.279 1.00 51.45 C ATOM 303 C LYS A 19 7.561 -1.637 -1.790 1.00 41.34 C ATOM 304 O LYS A 19 7.338 -1.327 -0.618 1.00 41.32 O ATOM 305 CB LYS A 19 9.381 -3.350 -2.041 1.00 50.44 C ATOM 306 CG LYS A 19 10.716 -3.755 -2.661 1.00 44.24 C ATOM 307 CD LYS A 19 10.727 -3.536 -4.172 1.00 53.31 C ATOM 308 CE LYS A 19 12.030 -4.007 -4.804 1.00 14.31 C ATOM 309 NZ LYS A 19 12.098 -3.659 -6.249 1.00 55.35 N ATOM 0 H LYS A 19 9.957 -1.078 -0.593 1.00 64.42 H new ATOM 0 HA LYS A 19 9.039 -1.673 -3.348 1.00 51.45 H new ATOM 0 HB2 LYS A 19 9.422 -3.534 -0.967 1.00 50.44 H new ATOM 0 HB3 LYS A 19 8.597 -3.991 -2.444 1.00 50.44 H new ATOM 0 HG2 LYS A 19 11.520 -3.178 -2.204 1.00 44.24 H new ATOM 0 HG3 LYS A 19 10.914 -4.805 -2.444 1.00 44.24 H new ATOM 0 HD2 LYS A 19 9.891 -4.071 -4.623 1.00 53.31 H new ATOM 0 HD3 LYS A 19 10.581 -2.477 -4.387 1.00 53.31 H new ATOM 0 HE2 LYS A 19 12.873 -3.555 -4.281 1.00 14.31 H new ATOM 0 HE3 LYS A 19 12.123 -5.086 -4.685 1.00 14.31 H new ATOM 0 HZ1 LYS A 19 13.066 -3.363 -6.490 1.00 55.35 H new ATOM 0 HZ2 LYS A 19 11.838 -4.489 -6.819 1.00 55.35 H new ATOM 0 HZ3 LYS A 19 11.438 -2.881 -6.450 1.00 55.35 H new ATOM 323 N VAL A 20 6.598 -1.777 -2.696 1.00 23.14 N ATOM 324 CA VAL A 20 5.178 -1.621 -2.362 1.00 43.44 C ATOM 325 C VAL A 20 4.375 -2.856 -2.784 1.00 20.33 C ATOM 326 O VAL A 20 4.872 -3.718 -3.514 1.00 13.31 O ATOM 327 CB VAL A 20 4.559 -0.365 -3.038 1.00 61.15 C ATOM 328 CG1 VAL A 20 5.213 0.913 -2.521 1.00 4.22 C ATOM 329 CG2 VAL A 20 4.676 -0.453 -4.559 1.00 41.12 C ATOM 0 H VAL A 20 6.773 -2.000 -3.676 1.00 23.14 H new ATOM 0 HA VAL A 20 5.125 -1.500 -1.280 1.00 43.44 H new ATOM 0 HB VAL A 20 3.501 -0.332 -2.778 1.00 61.15 H new ATOM 0 HG11 VAL A 20 4.762 1.776 -3.010 1.00 4.22 H new ATOM 0 HG12 VAL A 20 5.065 0.988 -1.444 1.00 4.22 H new ATOM 0 HG13 VAL A 20 6.281 0.889 -2.739 1.00 4.22 H new ATOM 0 HG21 VAL A 20 4.236 0.437 -5.010 1.00 41.12 H new ATOM 0 HG22 VAL A 20 5.727 -0.520 -4.840 1.00 41.12 H new ATOM 0 HG23 VAL A 20 4.148 -1.338 -4.914 1.00 41.12 H new ATOM 339 N SER A 21 3.134 -2.939 -2.319 1.00 44.24 N ATOM 340 CA SER A 21 2.238 -4.040 -2.696 1.00 43.32 C ATOM 341 C SER A 21 0.807 -3.537 -2.909 1.00 44.11 C ATOM 342 O SER A 21 0.471 -2.406 -2.551 1.00 40.33 O ATOM 343 CB SER A 21 2.250 -5.148 -1.633 1.00 23.13 C ATOM 344 OG SER A 21 1.455 -6.258 -2.033 1.00 63.42 O ATOM 0 H SER A 21 2.720 -2.260 -1.680 1.00 44.24 H new ATOM 0 HA SER A 21 2.605 -4.453 -3.635 1.00 43.32 H new ATOM 0 HB2 SER A 21 3.275 -5.476 -1.459 1.00 23.13 H new ATOM 0 HB3 SER A 21 1.877 -4.752 -0.688 1.00 23.13 H new ATOM 0 HG SER A 21 1.483 -6.948 -1.338 1.00 63.42 H new ATOM 350 N THR A 22 -0.033 -4.382 -3.493 1.00 45.41 N ATOM 351 CA THR A 22 -1.421 -4.015 -3.802 1.00 44.34 C ATOM 352 C THR A 22 -2.416 -4.768 -2.910 1.00 22.24 C ATOM 353 O THR A 22 -2.152 -5.890 -2.474 1.00 64.54 O ATOM 354 CB THR A 22 -1.760 -4.307 -5.282 1.00 72.04 C ATOM 355 OG1 THR A 22 -1.633 -5.712 -5.548 1.00 45.51 O ATOM 356 CG2 THR A 22 -0.839 -3.532 -6.218 1.00 51.11 C ATOM 0 H THR A 22 0.219 -5.332 -3.766 1.00 45.41 H new ATOM 0 HA THR A 22 -1.510 -2.945 -3.612 1.00 44.34 H new ATOM 0 HB THR A 22 -2.787 -3.990 -5.460 1.00 72.04 H new ATOM 0 HG1 THR A 22 -0.690 -5.973 -5.487 1.00 45.51 H new ATOM 0 HG21 THR A 22 -1.099 -3.756 -7.252 1.00 51.11 H new ATOM 0 HG22 THR A 22 -0.953 -2.463 -6.038 1.00 51.11 H new ATOM 0 HG23 THR A 22 0.195 -3.822 -6.033 1.00 51.11 H new ATOM 364 N TYR A 23 -3.567 -4.143 -2.647 1.00 5.11 N ATOM 365 CA TYR A 23 -4.617 -4.748 -1.810 1.00 33.43 C ATOM 366 C TYR A 23 -4.966 -6.179 -2.251 1.00 22.42 C ATOM 367 O TYR A 23 -5.196 -7.055 -1.415 1.00 4.25 O ATOM 368 CB TYR A 23 -5.880 -3.877 -1.824 1.00 5.01 C ATOM 369 CG TYR A 23 -5.686 -2.526 -1.167 1.00 44.53 C ATOM 370 CD1 TYR A 23 -5.258 -2.440 0.149 1.00 35.43 C ATOM 371 CD2 TYR A 23 -5.916 -1.343 -1.859 1.00 55.54 C ATOM 372 CE1 TYR A 23 -5.068 -1.221 0.760 1.00 31.31 C ATOM 373 CE2 TYR A 23 -5.724 -0.115 -1.254 1.00 53.30 C ATOM 374 CZ TYR A 23 -5.299 -0.060 0.057 1.00 4.21 C ATOM 375 OH TYR A 23 -5.103 1.159 0.666 1.00 61.54 O ATOM 0 H TYR A 23 -3.800 -3.215 -3.001 1.00 5.11 H new ATOM 0 HA TYR A 23 -4.221 -4.804 -0.796 1.00 33.43 H new ATOM 0 HB2 TYR A 23 -6.199 -3.729 -2.856 1.00 5.01 H new ATOM 0 HB3 TYR A 23 -6.684 -4.408 -1.315 1.00 5.01 H new ATOM 0 HD1 TYR A 23 -5.070 -3.346 0.705 1.00 35.43 H new ATOM 0 HD2 TYR A 23 -6.250 -1.384 -2.885 1.00 55.54 H new ATOM 0 HE1 TYR A 23 -4.739 -1.176 1.788 1.00 31.31 H new ATOM 0 HE2 TYR A 23 -5.906 0.796 -1.805 1.00 53.30 H new ATOM 0 HH TYR A 23 -4.235 1.524 0.395 1.00 61.54 H new ATOM 385 N GLY A 24 -5.011 -6.409 -3.565 1.00 45.25 N ATOM 386 CA GLY A 24 -5.284 -7.745 -4.085 1.00 22.21 C ATOM 387 C GLY A 24 -4.302 -8.796 -3.570 1.00 34.14 C ATOM 388 O GLY A 24 -4.701 -9.907 -3.200 1.00 75.04 O ATOM 0 H GLY A 24 -4.864 -5.695 -4.279 1.00 45.25 H new ATOM 0 HA2 GLY A 24 -6.298 -8.036 -3.810 1.00 22.21 H new ATOM 0 HA3 GLY A 24 -5.244 -7.721 -5.174 1.00 22.21 H new ATOM 392 N GLU A 25 -3.016 -8.441 -3.544 1.00 72.12 N ATOM 393 CA GLU A 25 -1.969 -9.333 -3.031 1.00 3.32 C ATOM 394 C GLU A 25 -2.106 -9.528 -1.514 1.00 61.33 C ATOM 395 O GLU A 25 -2.132 -10.658 -1.022 1.00 25.14 O ATOM 396 CB GLU A 25 -0.581 -8.761 -3.351 1.00 60.01 C ATOM 397 CG GLU A 25 -0.324 -8.548 -4.836 1.00 42.31 C ATOM 398 CD GLU A 25 1.022 -7.893 -5.102 1.00 40.11 C ATOM 399 OE1 GLU A 25 1.123 -6.656 -4.955 1.00 65.42 O ATOM 400 OE2 GLU A 25 1.983 -8.612 -5.450 1.00 1.21 O ATOM 0 H GLU A 25 -2.672 -7.539 -3.873 1.00 72.12 H new ATOM 0 HA GLU A 25 -2.085 -10.301 -3.519 1.00 3.32 H new ATOM 0 HB2 GLU A 25 -0.464 -7.809 -2.833 1.00 60.01 H new ATOM 0 HB3 GLU A 25 0.178 -9.435 -2.955 1.00 60.01 H new ATOM 0 HG2 GLU A 25 -0.366 -9.508 -5.351 1.00 42.31 H new ATOM 0 HG3 GLU A 25 -1.116 -7.927 -5.254 1.00 42.31 H new ATOM 407 N ILE A 26 -2.197 -8.412 -0.784 1.00 72.25 N ATOM 408 CA ILE A 26 -2.320 -8.438 0.681 1.00 55.15 C ATOM 409 C ILE A 26 -3.491 -9.328 1.130 1.00 1.14 C ATOM 410 O ILE A 26 -3.338 -10.181 2.005 1.00 74.33 O ATOM 411 CB ILE A 26 -2.522 -7.008 1.252 1.00 55.22 C ATOM 412 CG1 ILE A 26 -1.365 -6.083 0.827 1.00 21.44 C ATOM 413 CG2 ILE A 26 -2.653 -7.046 2.777 1.00 24.45 C ATOM 414 CD1 ILE A 26 0.000 -6.534 1.307 1.00 15.12 C ATOM 0 H ILE A 26 -2.188 -7.474 -1.184 1.00 72.25 H new ATOM 0 HA ILE A 26 -1.389 -8.852 1.069 1.00 55.15 H new ATOM 0 HB ILE A 26 -3.448 -6.606 0.841 1.00 55.22 H new ATOM 0 HG12 ILE A 26 -1.351 -6.014 -0.261 1.00 21.44 H new ATOM 0 HG13 ILE A 26 -1.558 -5.080 1.207 1.00 21.44 H new ATOM 0 HG21 ILE A 26 -2.794 -6.034 3.155 1.00 24.45 H new ATOM 0 HG22 ILE A 26 -3.511 -7.659 3.053 1.00 24.45 H new ATOM 0 HG23 ILE A 26 -1.748 -7.472 3.209 1.00 24.45 H new ATOM 0 HD11 ILE A 26 0.757 -5.829 0.965 1.00 15.12 H new ATOM 0 HD12 ILE A 26 0.007 -6.575 2.396 1.00 15.12 H new ATOM 0 HD13 ILE A 26 0.218 -7.523 0.905 1.00 15.12 H new ATOM 426 N ALA A 27 -4.654 -9.132 0.506 1.00 53.32 N ATOM 427 CA ALA A 27 -5.851 -9.919 0.820 1.00 22.41 C ATOM 428 C ALA A 27 -5.607 -11.428 0.637 1.00 5.45 C ATOM 429 O ALA A 27 -5.883 -12.224 1.536 1.00 61.14 O ATOM 430 CB ALA A 27 -7.021 -9.462 -0.045 1.00 42.54 C ATOM 0 H ALA A 27 -4.794 -8.432 -0.223 1.00 53.32 H new ATOM 0 HA ALA A 27 -6.093 -9.751 1.869 1.00 22.41 H new ATOM 0 HB1 ALA A 27 -7.905 -10.053 0.196 1.00 42.54 H new ATOM 0 HB2 ALA A 27 -7.226 -8.409 0.147 1.00 42.54 H new ATOM 0 HB3 ALA A 27 -6.770 -9.597 -1.097 1.00 42.54 H new ATOM 436 N LYS A 28 -5.081 -11.817 -0.525 1.00 51.34 N ATOM 437 CA LYS A 28 -4.799 -13.233 -0.806 1.00 45.13 C ATOM 438 C LYS A 28 -3.770 -13.818 0.178 1.00 5.25 C ATOM 439 O LYS A 28 -3.960 -14.911 0.716 1.00 40.12 O ATOM 440 CB LYS A 28 -4.298 -13.401 -2.245 1.00 4.45 C ATOM 441 CG LYS A 28 -5.298 -12.930 -3.293 1.00 72.23 C ATOM 442 CD LYS A 28 -4.777 -13.136 -4.710 1.00 15.12 C ATOM 443 CE LYS A 28 -5.749 -12.586 -5.742 1.00 51.20 C ATOM 444 NZ LYS A 28 -5.863 -11.104 -5.671 1.00 41.31 N ATOM 0 H LYS A 28 -4.842 -11.180 -1.285 1.00 51.34 H new ATOM 0 HA LYS A 28 -5.732 -13.782 -0.680 1.00 45.13 H new ATOM 0 HB2 LYS A 28 -3.368 -12.845 -2.365 1.00 4.45 H new ATOM 0 HB3 LYS A 28 -4.066 -14.451 -2.421 1.00 4.45 H new ATOM 0 HG2 LYS A 28 -6.236 -13.472 -3.169 1.00 72.23 H new ATOM 0 HG3 LYS A 28 -5.517 -11.874 -3.137 1.00 72.23 H new ATOM 0 HD2 LYS A 28 -3.810 -12.644 -4.819 1.00 15.12 H new ATOM 0 HD3 LYS A 28 -4.616 -14.199 -4.889 1.00 15.12 H new ATOM 0 HE2 LYS A 28 -5.420 -12.876 -6.740 1.00 51.20 H new ATOM 0 HE3 LYS A 28 -6.731 -13.032 -5.588 1.00 51.20 H new ATOM 0 HZ1 LYS A 28 -6.854 -10.840 -5.499 1.00 41.31 H new ATOM 0 HZ2 LYS A 28 -5.270 -10.747 -4.895 1.00 41.31 H new ATOM 0 HZ3 LYS A 28 -5.545 -10.688 -6.570 1.00 41.31 H new ATOM 458 N MET A 29 -2.687 -13.082 0.418 1.00 62.45 N ATOM 459 CA MET A 29 -1.626 -13.536 1.328 1.00 4.10 C ATOM 460 C MET A 29 -2.105 -13.582 2.791 1.00 35.03 C ATOM 461 O MET A 29 -1.576 -14.343 3.602 1.00 62.25 O ATOM 462 CB MET A 29 -0.390 -12.633 1.198 1.00 14.12 C ATOM 463 CG MET A 29 0.259 -12.686 -0.182 1.00 33.42 C ATOM 464 SD MET A 29 1.764 -11.697 -0.294 1.00 43.01 S ATOM 465 CE MET A 29 1.121 -10.050 -0.010 1.00 2.13 C ATOM 0 H MET A 29 -2.517 -12.168 -0.003 1.00 62.45 H new ATOM 0 HA MET A 29 -1.358 -14.552 1.039 1.00 4.10 H new ATOM 0 HB2 MET A 29 -0.677 -11.604 1.417 1.00 14.12 H new ATOM 0 HB3 MET A 29 0.345 -12.926 1.948 1.00 14.12 H new ATOM 0 HG2 MET A 29 0.493 -13.722 -0.428 1.00 33.42 H new ATOM 0 HG3 MET A 29 -0.455 -12.335 -0.927 1.00 33.42 H new ATOM 0 HE1 MET A 29 1.483 -9.379 -0.788 1.00 2.13 H new ATOM 0 HE2 MET A 29 0.032 -10.076 -0.032 1.00 2.13 H new ATOM 0 HE3 MET A 29 1.456 -9.691 0.963 1.00 2.13 H new ATOM 475 N ALA A 30 -3.104 -12.766 3.121 1.00 41.23 N ATOM 476 CA ALA A 30 -3.695 -12.764 4.469 1.00 4.31 C ATOM 477 C ALA A 30 -4.753 -13.869 4.635 1.00 20.11 C ATOM 478 O ALA A 30 -5.220 -14.133 5.743 1.00 63.23 O ATOM 479 CB ALA A 30 -4.305 -11.401 4.771 1.00 52.22 C ATOM 0 H ALA A 30 -3.525 -12.096 2.478 1.00 41.23 H new ATOM 0 HA ALA A 30 -2.895 -12.968 5.180 1.00 4.31 H new ATOM 0 HB1 ALA A 30 -4.740 -11.410 5.771 1.00 52.22 H new ATOM 0 HB2 ALA A 30 -3.530 -10.636 4.719 1.00 52.22 H new ATOM 0 HB3 ALA A 30 -5.082 -11.180 4.040 1.00 52.22 H new ATOM 485 N GLY A 31 -5.129 -14.507 3.526 1.00 53.43 N ATOM 486 CA GLY A 31 -6.116 -15.586 3.567 1.00 52.13 C ATOM 487 C GLY A 31 -7.555 -15.100 3.406 1.00 25.43 C ATOM 488 O GLY A 31 -8.497 -15.758 3.858 1.00 43.42 O ATOM 0 H GLY A 31 -4.768 -14.297 2.595 1.00 53.43 H new ATOM 0 HA2 GLY A 31 -5.892 -16.303 2.777 1.00 52.13 H new ATOM 0 HA3 GLY A 31 -6.024 -16.117 4.515 1.00 52.13 H new ATOM 492 N TYR A 32 -7.733 -13.948 2.762 1.00 13.14 N ATOM 493 CA TYR A 32 -9.070 -13.390 2.511 1.00 24.14 C ATOM 494 C TYR A 32 -9.214 -12.920 1.050 1.00 62.21 C ATOM 495 O TYR A 32 -9.236 -11.719 0.772 1.00 70.32 O ATOM 496 CB TYR A 32 -9.354 -12.219 3.466 1.00 40.23 C ATOM 497 CG TYR A 32 -9.230 -12.578 4.937 1.00 51.22 C ATOM 498 CD1 TYR A 32 -10.309 -13.102 5.645 1.00 42.20 C ATOM 499 CD2 TYR A 32 -8.032 -12.388 5.617 1.00 60.21 C ATOM 500 CE1 TYR A 32 -10.193 -13.427 6.984 1.00 71.24 C ATOM 501 CE2 TYR A 32 -7.911 -12.711 6.952 1.00 42.32 C ATOM 502 CZ TYR A 32 -8.992 -13.229 7.632 1.00 12.14 C ATOM 503 OH TYR A 32 -8.873 -13.547 8.965 1.00 51.22 O ATOM 0 H TYR A 32 -6.968 -13.378 2.402 1.00 13.14 H new ATOM 0 HA TYR A 32 -9.797 -14.182 2.691 1.00 24.14 H new ATOM 0 HB2 TYR A 32 -8.665 -11.405 3.242 1.00 40.23 H new ATOM 0 HB3 TYR A 32 -10.360 -11.845 3.277 1.00 40.23 H new ATOM 0 HD1 TYR A 32 -11.251 -13.257 5.140 1.00 42.20 H new ATOM 0 HD2 TYR A 32 -7.182 -11.980 5.090 1.00 60.21 H new ATOM 0 HE1 TYR A 32 -11.038 -13.834 7.519 1.00 71.24 H new ATOM 0 HE2 TYR A 32 -6.972 -12.559 7.463 1.00 42.32 H new ATOM 0 HH TYR A 32 -8.076 -14.102 9.099 1.00 51.22 H new ATOM 513 N PRO A 33 -9.308 -13.863 0.092 1.00 52.50 N ATOM 514 CA PRO A 33 -9.436 -13.522 -1.337 1.00 14.43 C ATOM 515 C PRO A 33 -10.773 -12.832 -1.662 1.00 54.31 C ATOM 516 O PRO A 33 -11.846 -13.388 -1.422 1.00 44.21 O ATOM 517 CB PRO A 33 -9.335 -14.888 -2.039 1.00 65.30 C ATOM 518 CG PRO A 33 -9.761 -15.880 -1.009 1.00 71.51 C ATOM 519 CD PRO A 33 -9.306 -15.323 0.316 1.00 23.21 C ATOM 0 HA PRO A 33 -8.675 -12.810 -1.657 1.00 14.43 H new ATOM 0 HB2 PRO A 33 -9.979 -14.929 -2.918 1.00 65.30 H new ATOM 0 HB3 PRO A 33 -8.318 -15.083 -2.379 1.00 65.30 H new ATOM 0 HG2 PRO A 33 -10.842 -16.018 -1.024 1.00 71.51 H new ATOM 0 HG3 PRO A 33 -9.312 -16.855 -1.197 1.00 71.51 H new ATOM 0 HD2 PRO A 33 -9.980 -15.607 1.124 1.00 23.21 H new ATOM 0 HD3 PRO A 33 -8.315 -15.687 0.586 1.00 23.21 H new ATOM 527 N GLY A 34 -10.703 -11.614 -2.201 1.00 2.13 N ATOM 528 CA GLY A 34 -11.914 -10.863 -2.528 1.00 60.42 C ATOM 529 C GLY A 34 -12.267 -9.802 -1.488 1.00 53.11 C ATOM 530 O GLY A 34 -13.326 -9.174 -1.562 1.00 73.22 O ATOM 0 H GLY A 34 -9.831 -11.132 -2.418 1.00 2.13 H new ATOM 0 HA2 GLY A 34 -11.784 -10.382 -3.498 1.00 60.42 H new ATOM 0 HA3 GLY A 34 -12.748 -11.557 -2.626 1.00 60.42 H new ATOM 534 N TYR A 35 -11.386 -9.606 -0.508 1.00 43.35 N ATOM 535 CA TYR A 35 -11.586 -8.577 0.521 1.00 22.12 C ATOM 536 C TYR A 35 -10.560 -7.441 0.399 1.00 32.21 C ATOM 537 O TYR A 35 -10.366 -6.660 1.333 1.00 54.21 O ATOM 538 CB TYR A 35 -11.529 -9.212 1.917 1.00 11.54 C ATOM 539 CG TYR A 35 -12.739 -10.074 2.228 1.00 33.24 C ATOM 540 CD1 TYR A 35 -12.760 -11.428 1.910 1.00 12.05 C ATOM 541 CD2 TYR A 35 -13.869 -9.525 2.826 1.00 15.32 C ATOM 542 CE1 TYR A 35 -13.872 -12.206 2.178 1.00 60.11 C ATOM 543 CE2 TYR A 35 -14.979 -10.297 3.099 1.00 61.35 C ATOM 544 CZ TYR A 35 -14.978 -11.634 2.774 1.00 42.42 C ATOM 545 OH TYR A 35 -16.091 -12.400 3.038 1.00 52.44 O ATOM 0 H TYR A 35 -10.526 -10.144 -0.402 1.00 43.35 H new ATOM 0 HA TYR A 35 -12.572 -8.138 0.369 1.00 22.12 H new ATOM 0 HB2 TYR A 35 -10.627 -9.819 1.997 1.00 11.54 H new ATOM 0 HB3 TYR A 35 -11.450 -8.424 2.665 1.00 11.54 H new ATOM 0 HD1 TYR A 35 -11.895 -11.879 1.447 1.00 12.05 H new ATOM 0 HD2 TYR A 35 -13.877 -8.476 3.081 1.00 15.32 H new ATOM 0 HE1 TYR A 35 -13.875 -13.255 1.922 1.00 60.11 H new ATOM 0 HE2 TYR A 35 -15.846 -9.854 3.566 1.00 61.35 H new ATOM 0 HH TYR A 35 -16.779 -11.844 3.460 1.00 52.44 H new ATOM 555 N ALA A 36 -9.937 -7.333 -0.772 1.00 51.31 N ATOM 556 CA ALA A 36 -8.952 -6.280 -1.045 1.00 64.24 C ATOM 557 C ALA A 36 -9.530 -4.875 -0.799 1.00 20.11 C ATOM 558 O ALA A 36 -8.895 -4.022 -0.170 1.00 31.12 O ATOM 559 CB ALA A 36 -8.457 -6.402 -2.482 1.00 32.35 C ATOM 0 H ALA A 36 -10.096 -7.966 -1.556 1.00 51.31 H new ATOM 0 HA ALA A 36 -8.118 -6.413 -0.356 1.00 64.24 H new ATOM 0 HB1 ALA A 36 -7.726 -5.619 -2.683 1.00 32.35 H new ATOM 0 HB2 ALA A 36 -7.993 -7.378 -2.625 1.00 32.35 H new ATOM 0 HB3 ALA A 36 -9.298 -6.297 -3.167 1.00 32.35 H new ATOM 565 N ARG A 37 -10.742 -4.648 -1.298 1.00 14.24 N ATOM 566 CA ARG A 37 -11.442 -3.372 -1.123 1.00 1.34 C ATOM 567 C ARG A 37 -11.672 -3.056 0.370 1.00 34.52 C ATOM 568 O ARG A 37 -11.663 -1.891 0.784 1.00 42.13 O ATOM 569 CB ARG A 37 -12.780 -3.422 -1.873 1.00 1.41 C ATOM 570 CG ARG A 37 -13.562 -2.112 -1.863 1.00 42.50 C ATOM 571 CD ARG A 37 -12.859 -1.011 -2.654 1.00 50.21 C ATOM 572 NE ARG A 37 -13.662 0.209 -2.698 1.00 42.53 N ATOM 573 CZ ARG A 37 -13.193 1.403 -2.939 1.00 30.03 C ATOM 574 NH1 ARG A 37 -11.936 1.589 -3.189 1.00 23.44 N ATOM 575 NH2 ARG A 37 -13.999 2.416 -2.938 1.00 72.24 N ATOM 0 H ARG A 37 -11.268 -5.339 -1.834 1.00 14.24 H new ATOM 0 HA ARG A 37 -10.822 -2.575 -1.533 1.00 1.34 H new ATOM 0 HB2 ARG A 37 -12.591 -3.710 -2.907 1.00 1.41 H new ATOM 0 HB3 ARG A 37 -13.400 -4.203 -1.433 1.00 1.41 H new ATOM 0 HG2 ARG A 37 -14.554 -2.280 -2.282 1.00 42.50 H new ATOM 0 HG3 ARG A 37 -13.703 -1.783 -0.833 1.00 42.50 H new ATOM 0 HD2 ARG A 37 -11.892 -0.796 -2.200 1.00 50.21 H new ATOM 0 HD3 ARG A 37 -12.665 -1.357 -3.669 1.00 50.21 H new ATOM 0 HE ARG A 37 -14.664 0.121 -2.528 1.00 42.53 H new ATOM 0 HH11 ARG A 37 -11.295 0.795 -3.200 1.00 23.44 H new ATOM 0 HH12 ARG A 37 -11.587 2.529 -3.375 1.00 23.44 H new ATOM 0 HH21 ARG A 37 -14.992 2.278 -2.750 1.00 72.24 H new ATOM 0 HH22 ARG A 37 -13.641 3.353 -3.125 1.00 72.24 H new ATOM 589 N HIS A 38 -11.864 -4.103 1.175 1.00 20.43 N ATOM 590 CA HIS A 38 -12.081 -3.947 2.620 1.00 63.01 C ATOM 591 C HIS A 38 -10.780 -3.566 3.345 1.00 13.14 C ATOM 592 O HIS A 38 -10.802 -2.809 4.320 1.00 31.52 O ATOM 593 CB HIS A 38 -12.661 -5.235 3.215 1.00 21.12 C ATOM 594 CG HIS A 38 -14.013 -5.586 2.670 1.00 62.30 C ATOM 595 ND1 HIS A 38 -15.164 -5.266 3.348 1.00 42.32 N ATOM 596 CD2 HIS A 38 -14.342 -6.223 1.519 1.00 71.42 C ATOM 597 CE1 HIS A 38 -16.159 -5.710 2.602 1.00 10.02 C ATOM 598 NE2 HIS A 38 -15.710 -6.296 1.486 1.00 22.23 N ATOM 0 H HIS A 38 -11.874 -5.071 0.853 1.00 20.43 H new ATOM 0 HA HIS A 38 -12.795 -3.136 2.763 1.00 63.01 H new ATOM 0 HB2 HIS A 38 -11.974 -6.058 3.020 1.00 21.12 H new ATOM 0 HB3 HIS A 38 -12.730 -5.127 4.297 1.00 21.12 H new ATOM 0 HD2 HIS A 38 -13.658 -6.600 0.773 1.00 71.42 H new ATOM 0 HE1 HIS A 38 -17.203 -5.612 2.860 1.00 10.02 H new ATOM 0 HE2 HIS A 38 -16.278 -6.717 0.751 1.00 22.23 H new ATOM 606 N VAL A 39 -9.650 -4.091 2.866 1.00 4.02 N ATOM 607 CA VAL A 39 -8.336 -3.720 3.410 1.00 52.22 C ATOM 608 C VAL A 39 -8.120 -2.202 3.307 1.00 32.11 C ATOM 609 O VAL A 39 -7.761 -1.543 4.284 1.00 34.12 O ATOM 610 CB VAL A 39 -7.180 -4.454 2.676 1.00 72.43 C ATOM 611 CG1 VAL A 39 -5.827 -4.106 3.302 1.00 1.32 C ATOM 612 CG2 VAL A 39 -7.406 -5.965 2.675 1.00 43.43 C ATOM 0 H VAL A 39 -9.615 -4.771 2.107 1.00 4.02 H new ATOM 0 HA VAL A 39 -8.325 -4.023 4.457 1.00 52.22 H new ATOM 0 HB VAL A 39 -7.170 -4.114 1.640 1.00 72.43 H new ATOM 0 HG11 VAL A 39 -5.034 -4.632 2.771 1.00 1.32 H new ATOM 0 HG12 VAL A 39 -5.659 -3.031 3.232 1.00 1.32 H new ATOM 0 HG13 VAL A 39 -5.823 -4.406 4.350 1.00 1.32 H new ATOM 0 HG21 VAL A 39 -6.583 -6.456 2.155 1.00 43.43 H new ATOM 0 HG22 VAL A 39 -7.453 -6.326 3.702 1.00 43.43 H new ATOM 0 HG23 VAL A 39 -8.343 -6.192 2.167 1.00 43.43 H new ATOM 622 N GLY A 40 -8.363 -1.654 2.116 1.00 12.11 N ATOM 623 CA GLY A 40 -8.275 -0.209 1.916 1.00 21.01 C ATOM 624 C GLY A 40 -9.264 0.570 2.781 1.00 11.42 C ATOM 625 O GLY A 40 -8.946 1.643 3.299 1.00 74.22 O ATOM 0 H GLY A 40 -8.620 -2.184 1.283 1.00 12.11 H new ATOM 0 HA2 GLY A 40 -7.262 0.123 2.142 1.00 21.01 H new ATOM 0 HA3 GLY A 40 -8.459 0.020 0.866 1.00 21.01 H new ATOM 629 N LYS A 41 -10.469 0.020 2.939 1.00 75.45 N ATOM 630 CA LYS A 41 -11.500 0.623 3.794 1.00 73.22 C ATOM 631 C LYS A 41 -11.046 0.673 5.266 1.00 13.24 C ATOM 632 O LYS A 41 -11.550 1.468 6.057 1.00 20.40 O ATOM 633 CB LYS A 41 -12.816 -0.164 3.654 1.00 25.33 C ATOM 634 CG LYS A 41 -13.983 0.407 4.457 1.00 22.24 C ATOM 635 CD LYS A 41 -15.309 -0.272 4.103 1.00 14.03 C ATOM 636 CE LYS A 41 -15.293 -1.773 4.390 1.00 32.23 C ATOM 637 NZ LYS A 41 -15.148 -2.065 5.842 1.00 43.32 N ATOM 0 H LYS A 41 -10.759 -0.846 2.485 1.00 75.45 H new ATOM 0 HA LYS A 41 -11.664 1.650 3.468 1.00 73.22 H new ATOM 0 HB2 LYS A 41 -13.096 -0.195 2.601 1.00 25.33 H new ATOM 0 HB3 LYS A 41 -12.644 -1.194 3.968 1.00 25.33 H new ATOM 0 HG2 LYS A 41 -13.785 0.284 5.522 1.00 22.24 H new ATOM 0 HG3 LYS A 41 -14.063 1.478 4.270 1.00 22.24 H new ATOM 0 HD2 LYS A 41 -16.115 0.194 4.670 1.00 14.03 H new ATOM 0 HD3 LYS A 41 -15.526 -0.110 3.047 1.00 14.03 H new ATOM 0 HE2 LYS A 41 -16.215 -2.222 4.021 1.00 32.23 H new ATOM 0 HE3 LYS A 41 -14.472 -2.237 3.844 1.00 32.23 H new ATOM 0 HZ1 LYS A 41 -15.227 -3.090 6.000 1.00 43.32 H new ATOM 0 HZ2 LYS A 41 -14.219 -1.735 6.171 1.00 43.32 H new ATOM 0 HZ3 LYS A 41 -15.897 -1.575 6.371 1.00 43.32 H new ATOM 651 N ALA A 42 -10.091 -0.185 5.622 1.00 12.33 N ATOM 652 CA ALA A 42 -9.511 -0.184 6.970 1.00 55.03 C ATOM 653 C ALA A 42 -8.316 0.780 7.078 1.00 65.13 C ATOM 654 O ALA A 42 -8.220 1.559 8.028 1.00 42.12 O ATOM 655 CB ALA A 42 -9.089 -1.597 7.360 1.00 25.13 C ATOM 0 H ALA A 42 -9.701 -0.891 4.998 1.00 12.33 H new ATOM 0 HA ALA A 42 -10.278 0.166 7.661 1.00 55.03 H new ATOM 0 HB1 ALA A 42 -8.660 -1.585 8.362 1.00 25.13 H new ATOM 0 HB2 ALA A 42 -9.959 -2.254 7.346 1.00 25.13 H new ATOM 0 HB3 ALA A 42 -8.346 -1.963 6.652 1.00 25.13 H new ATOM 661 N LEU A 43 -7.407 0.727 6.099 1.00 32.44 N ATOM 662 CA LEU A 43 -6.211 1.586 6.112 1.00 45.23 C ATOM 663 C LEU A 43 -6.576 3.079 6.087 1.00 72.11 C ATOM 664 O LEU A 43 -5.914 3.896 6.725 1.00 63.31 O ATOM 665 CB LEU A 43 -5.276 1.260 4.937 1.00 15.43 C ATOM 666 CG LEU A 43 -4.728 -0.181 4.897 1.00 23.14 C ATOM 667 CD1 LEU A 43 -3.607 -0.301 3.868 1.00 72.35 C ATOM 668 CD2 LEU A 43 -4.245 -0.629 6.277 1.00 62.22 C ATOM 0 H LEU A 43 -7.472 0.105 5.293 1.00 32.44 H new ATOM 0 HA LEU A 43 -5.689 1.378 7.046 1.00 45.23 H new ATOM 0 HB2 LEU A 43 -5.811 1.451 4.007 1.00 15.43 H new ATOM 0 HB3 LEU A 43 -4.432 1.949 4.966 1.00 15.43 H new ATOM 0 HG LEU A 43 -5.543 -0.841 4.599 1.00 23.14 H new ATOM 0 HD11 LEU A 43 -3.233 -1.325 3.855 1.00 72.35 H new ATOM 0 HD12 LEU A 43 -3.990 -0.042 2.881 1.00 72.35 H new ATOM 0 HD13 LEU A 43 -2.796 0.378 4.133 1.00 72.35 H new ATOM 0 HD21 LEU A 43 -3.865 -1.649 6.216 1.00 62.22 H new ATOM 0 HD22 LEU A 43 -3.450 0.035 6.618 1.00 62.22 H new ATOM 0 HD23 LEU A 43 -5.075 -0.593 6.982 1.00 62.22 H new ATOM 680 N GLY A 44 -7.642 3.426 5.366 1.00 4.45 N ATOM 681 CA GLY A 44 -8.096 4.816 5.305 1.00 11.20 C ATOM 682 C GLY A 44 -8.523 5.375 6.666 1.00 72.42 C ATOM 683 O GLY A 44 -8.690 6.587 6.830 1.00 52.02 O ATOM 0 H GLY A 44 -8.203 2.771 4.821 1.00 4.45 H new ATOM 0 HA2 GLY A 44 -7.295 5.435 4.901 1.00 11.20 H new ATOM 0 HA3 GLY A 44 -8.934 4.887 4.612 1.00 11.20 H new ATOM 687 N ASN A 45 -8.699 4.490 7.647 1.00 10.15 N ATOM 688 CA ASN A 45 -9.129 4.885 8.994 1.00 72.11 C ATOM 689 C ASN A 45 -7.931 5.040 9.949 1.00 5.43 C ATOM 690 O ASN A 45 -8.098 5.403 11.117 1.00 3.41 O ATOM 691 CB ASN A 45 -10.099 3.841 9.554 1.00 12.22 C ATOM 692 CG ASN A 45 -11.209 3.503 8.580 1.00 64.41 C ATOM 693 OD1 ASN A 45 -11.627 4.331 7.773 1.00 31.44 O ATOM 694 ND2 ASN A 45 -11.703 2.286 8.648 1.00 40.33 N ATOM 0 H ASN A 45 -8.550 3.487 7.535 1.00 10.15 H new ATOM 0 HA ASN A 45 -9.626 5.852 8.916 1.00 72.11 H new ATOM 0 HB2 ASN A 45 -9.548 2.934 9.802 1.00 12.22 H new ATOM 0 HB3 ASN A 45 -10.534 4.214 10.481 1.00 12.22 H new ATOM 0 HD21 ASN A 45 -12.456 2.005 8.019 1.00 40.33 H new ATOM 0 HD22 ASN A 45 -11.333 1.623 9.329 1.00 40.33 H new ATOM 701 N LEU A 46 -6.727 4.764 9.448 1.00 52.24 N ATOM 702 CA LEU A 46 -5.507 4.836 10.263 1.00 74.40 C ATOM 703 C LEU A 46 -4.991 6.278 10.410 1.00 10.32 C ATOM 704 O LEU A 46 -5.092 7.086 9.482 1.00 3.13 O ATOM 705 CB LEU A 46 -4.404 3.960 9.649 1.00 14.45 C ATOM 706 CG LEU A 46 -4.684 2.450 9.642 1.00 53.15 C ATOM 707 CD1 LEU A 46 -3.556 1.700 8.942 1.00 71.13 C ATOM 708 CD2 LEU A 46 -4.881 1.928 11.067 1.00 12.23 C ATOM 0 H LEU A 46 -6.567 4.487 8.479 1.00 52.24 H new ATOM 0 HA LEU A 46 -5.765 4.468 11.256 1.00 74.40 H new ATOM 0 HB2 LEU A 46 -4.236 4.285 8.622 1.00 14.45 H new ATOM 0 HB3 LEU A 46 -3.478 4.137 10.195 1.00 14.45 H new ATOM 0 HG LEU A 46 -5.606 2.275 9.088 1.00 53.15 H new ATOM 0 HD11 LEU A 46 -3.772 0.632 8.947 1.00 71.13 H new ATOM 0 HD12 LEU A 46 -3.471 2.049 7.913 1.00 71.13 H new ATOM 0 HD13 LEU A 46 -2.618 1.883 9.465 1.00 71.13 H new ATOM 0 HD21 LEU A 46 -5.078 0.856 11.038 1.00 12.23 H new ATOM 0 HD22 LEU A 46 -3.980 2.116 11.651 1.00 12.23 H new ATOM 0 HD23 LEU A 46 -5.726 2.440 11.528 1.00 12.23 H new ATOM 720 N PRO A 47 -4.443 6.624 11.592 1.00 22.10 N ATOM 721 CA PRO A 47 -3.795 7.924 11.811 1.00 33.23 C ATOM 722 C PRO A 47 -2.379 7.971 11.210 1.00 53.14 C ATOM 723 O PRO A 47 -1.553 7.093 11.473 1.00 72.12 O ATOM 724 CB PRO A 47 -3.743 8.025 13.339 1.00 72.32 C ATOM 725 CG PRO A 47 -3.649 6.610 13.808 1.00 71.13 C ATOM 726 CD PRO A 47 -4.425 5.784 12.810 1.00 13.33 C ATOM 0 HA PRO A 47 -4.329 8.746 11.334 1.00 33.23 H new ATOM 0 HB2 PRO A 47 -2.884 8.610 13.668 1.00 72.32 H new ATOM 0 HB3 PRO A 47 -4.633 8.515 13.734 1.00 72.32 H new ATOM 0 HG2 PRO A 47 -2.610 6.285 13.859 1.00 71.13 H new ATOM 0 HG3 PRO A 47 -4.066 6.503 14.810 1.00 71.13 H new ATOM 0 HD2 PRO A 47 -3.944 4.823 12.626 1.00 13.33 H new ATOM 0 HD3 PRO A 47 -5.434 5.572 13.165 1.00 13.33 H new ATOM 734 N GLU A 48 -2.096 8.992 10.404 1.00 15.13 N ATOM 735 CA GLU A 48 -0.791 9.107 9.745 1.00 43.22 C ATOM 736 C GLU A 48 0.342 9.171 10.785 1.00 61.12 C ATOM 737 O GLU A 48 0.351 10.040 11.660 1.00 72.25 O ATOM 738 CB GLU A 48 -0.755 10.350 8.837 1.00 54.32 C ATOM 739 CG GLU A 48 0.167 10.219 7.625 1.00 51.33 C ATOM 740 CD GLU A 48 1.609 9.892 7.983 1.00 10.22 C ATOM 741 OE1 GLU A 48 2.336 10.802 8.433 1.00 34.51 O ATOM 742 OE2 GLU A 48 2.024 8.722 7.816 1.00 63.31 O ATOM 0 H GLU A 48 -2.746 9.748 10.191 1.00 15.13 H new ATOM 0 HA GLU A 48 -0.641 8.220 9.129 1.00 43.22 H new ATOM 0 HB2 GLU A 48 -1.766 10.560 8.488 1.00 54.32 H new ATOM 0 HB3 GLU A 48 -0.437 11.208 9.429 1.00 54.32 H new ATOM 0 HG2 GLU A 48 -0.220 9.440 6.968 1.00 51.33 H new ATOM 0 HG3 GLU A 48 0.145 11.151 7.061 1.00 51.33 H new ATOM 749 N GLY A 49 1.302 8.260 10.668 1.00 74.11 N ATOM 750 CA GLY A 49 2.373 8.158 11.653 1.00 5.10 C ATOM 751 C GLY A 49 2.171 7.002 12.628 1.00 15.42 C ATOM 752 O GLY A 49 2.945 6.835 13.570 1.00 64.01 O ATOM 0 H GLY A 49 1.361 7.585 9.906 1.00 74.11 H new ATOM 0 HA2 GLY A 49 3.324 8.030 11.137 1.00 5.10 H new ATOM 0 HA3 GLY A 49 2.437 9.092 12.212 1.00 5.10 H new ATOM 756 N SER A 50 1.119 6.215 12.407 1.00 35.33 N ATOM 757 CA SER A 50 0.845 5.025 13.223 1.00 35.52 C ATOM 758 C SER A 50 1.979 3.996 13.117 1.00 41.13 C ATOM 759 O SER A 50 2.683 3.938 12.108 1.00 75.50 O ATOM 760 CB SER A 50 -0.475 4.373 12.787 1.00 62.32 C ATOM 761 OG SER A 50 -0.455 4.013 11.411 1.00 74.33 O ATOM 0 H SER A 50 0.437 6.378 11.666 1.00 35.33 H new ATOM 0 HA SER A 50 0.770 5.350 14.261 1.00 35.52 H new ATOM 0 HB2 SER A 50 -0.660 3.486 13.393 1.00 62.32 H new ATOM 0 HB3 SER A 50 -1.299 5.062 12.971 1.00 62.32 H new ATOM 0 HG SER A 50 0.164 3.265 11.277 1.00 74.33 H new ATOM 767 N LYS A 51 2.141 3.176 14.158 1.00 74.52 N ATOM 768 CA LYS A 51 3.170 2.124 14.170 1.00 5.42 C ATOM 769 C LYS A 51 3.043 1.206 12.938 1.00 35.13 C ATOM 770 O LYS A 51 4.039 0.707 12.410 1.00 34.12 O ATOM 771 CB LYS A 51 3.069 1.302 15.467 1.00 55.23 C ATOM 772 CG LYS A 51 4.208 0.303 15.662 1.00 3.22 C ATOM 773 CD LYS A 51 5.572 0.993 15.679 1.00 32.12 C ATOM 774 CE LYS A 51 6.703 0.016 15.983 1.00 2.20 C ATOM 775 NZ LYS A 51 6.598 -0.549 17.354 1.00 72.51 N ATOM 0 H LYS A 51 1.575 3.217 15.005 1.00 74.52 H new ATOM 0 HA LYS A 51 4.148 2.603 14.129 1.00 5.42 H new ATOM 0 HB2 LYS A 51 3.049 1.985 16.317 1.00 55.23 H new ATOM 0 HB3 LYS A 51 2.122 0.762 15.470 1.00 55.23 H new ATOM 0 HG2 LYS A 51 4.062 -0.237 16.598 1.00 3.22 H new ATOM 0 HG3 LYS A 51 4.184 -0.436 14.861 1.00 3.22 H new ATOM 0 HD2 LYS A 51 5.751 1.466 14.713 1.00 32.12 H new ATOM 0 HD3 LYS A 51 5.568 1.786 16.426 1.00 32.12 H new ATOM 0 HE2 LYS A 51 6.687 -0.795 15.255 1.00 2.20 H new ATOM 0 HE3 LYS A 51 7.661 0.525 15.873 1.00 2.20 H new ATOM 0 HZ1 LYS A 51 7.481 -1.043 17.595 1.00 72.51 H new ATOM 0 HZ2 LYS A 51 6.435 0.220 18.035 1.00 72.51 H new ATOM 0 HZ3 LYS A 51 5.805 -1.220 17.393 1.00 72.51 H new ATOM 789 N LEU A 52 1.808 0.997 12.490 1.00 75.03 N ATOM 790 CA LEU A 52 1.533 0.253 11.256 1.00 35.21 C ATOM 791 C LEU A 52 1.733 1.154 10.020 1.00 64.11 C ATOM 792 O LEU A 52 1.082 2.192 9.891 1.00 15.42 O ATOM 793 CB LEU A 52 0.093 -0.279 11.283 1.00 4.55 C ATOM 794 CG LEU A 52 -0.350 -1.051 10.030 1.00 54.03 C ATOM 795 CD1 LEU A 52 0.396 -2.379 9.910 1.00 24.51 C ATOM 796 CD2 LEU A 52 -1.858 -1.276 10.046 1.00 3.30 C ATOM 0 H LEU A 52 0.972 1.335 12.966 1.00 75.03 H new ATOM 0 HA LEU A 52 2.230 -0.583 11.191 1.00 35.21 H new ATOM 0 HB2 LEU A 52 -0.019 -0.931 12.149 1.00 4.55 H new ATOM 0 HB3 LEU A 52 -0.584 0.563 11.428 1.00 4.55 H new ATOM 0 HG LEU A 52 -0.101 -0.449 9.156 1.00 54.03 H new ATOM 0 HD11 LEU A 52 0.063 -2.904 9.015 1.00 24.51 H new ATOM 0 HD12 LEU A 52 1.467 -2.190 9.842 1.00 24.51 H new ATOM 0 HD13 LEU A 52 0.191 -2.992 10.788 1.00 24.51 H new ATOM 0 HD21 LEU A 52 -2.154 -1.824 9.151 1.00 3.30 H new ATOM 0 HD22 LEU A 52 -2.131 -1.851 10.931 1.00 3.30 H new ATOM 0 HD23 LEU A 52 -2.369 -0.314 10.067 1.00 3.30 H new ATOM 808 N PRO A 53 2.643 0.783 9.095 1.00 61.33 N ATOM 809 CA PRO A 53 2.891 1.580 7.884 1.00 45.53 C ATOM 810 C PRO A 53 1.797 1.408 6.816 1.00 54.11 C ATOM 811 O PRO A 53 1.827 0.474 6.015 1.00 51.23 O ATOM 812 CB PRO A 53 4.235 1.034 7.389 1.00 53.10 C ATOM 813 CG PRO A 53 4.265 -0.385 7.859 1.00 43.34 C ATOM 814 CD PRO A 53 3.507 -0.414 9.163 1.00 61.30 C ATOM 0 HA PRO A 53 2.894 2.650 8.089 1.00 45.53 H new ATOM 0 HB2 PRO A 53 4.311 1.093 6.303 1.00 53.10 H new ATOM 0 HB3 PRO A 53 5.069 1.604 7.798 1.00 53.10 H new ATOM 0 HG2 PRO A 53 3.804 -1.047 7.126 1.00 43.34 H new ATOM 0 HG3 PRO A 53 5.291 -0.727 7.997 1.00 43.34 H new ATOM 0 HD2 PRO A 53 2.919 -1.326 9.264 1.00 61.30 H new ATOM 0 HD3 PRO A 53 4.181 -0.373 10.019 1.00 61.30 H new ATOM 822 N TRP A 54 0.844 2.334 6.800 1.00 63.42 N ATOM 823 CA TRP A 54 -0.284 2.283 5.859 1.00 0.21 C ATOM 824 C TRP A 54 0.147 2.607 4.412 1.00 72.45 C ATOM 825 O TRP A 54 -0.303 1.972 3.458 1.00 32.55 O ATOM 826 CB TRP A 54 -1.375 3.270 6.308 1.00 51.34 C ATOM 827 CG TRP A 54 -0.914 4.704 6.315 1.00 44.44 C ATOM 828 CD1 TRP A 54 -0.157 5.321 7.271 1.00 61.51 C ATOM 829 CD2 TRP A 54 -1.182 5.698 5.316 1.00 64.33 C ATOM 830 NE1 TRP A 54 0.075 6.628 6.917 1.00 41.04 N ATOM 831 CE2 TRP A 54 -0.550 6.885 5.726 1.00 33.32 C ATOM 832 CE3 TRP A 54 -1.891 5.695 4.113 1.00 72.42 C ATOM 833 CZ2 TRP A 54 -0.605 8.056 4.975 1.00 52.20 C ATOM 834 CZ3 TRP A 54 -1.949 6.859 3.371 1.00 12.00 C ATOM 835 CH2 TRP A 54 -1.309 8.025 3.805 1.00 42.54 C ATOM 0 H TRP A 54 0.825 3.136 7.430 1.00 63.42 H new ATOM 0 HA TRP A 54 -0.672 1.264 5.865 1.00 0.21 H new ATOM 0 HB2 TRP A 54 -2.236 3.175 5.646 1.00 51.34 H new ATOM 0 HB3 TRP A 54 -1.711 2.999 7.309 1.00 51.34 H new ATOM 0 HD1 TRP A 54 0.206 4.850 8.173 1.00 61.51 H new ATOM 0 HE1 TRP A 54 0.624 7.299 7.455 1.00 41.04 H new ATOM 0 HE3 TRP A 54 -2.385 4.799 3.769 1.00 72.42 H new ATOM 0 HZ2 TRP A 54 -0.109 8.956 5.306 1.00 52.20 H new ATOM 0 HZ3 TRP A 54 -2.497 6.869 2.441 1.00 12.00 H new ATOM 0 HH2 TRP A 54 -1.373 8.919 3.202 1.00 42.54 H new ATOM 846 N PHE A 55 1.037 3.585 4.270 1.00 72.52 N ATOM 847 CA PHE A 55 1.416 4.134 2.957 1.00 31.51 C ATOM 848 C PHE A 55 2.070 3.105 2.012 1.00 74.12 C ATOM 849 O PHE A 55 2.170 3.346 0.810 1.00 12.13 O ATOM 850 CB PHE A 55 2.357 5.331 3.155 1.00 3.53 C ATOM 851 CG PHE A 55 3.646 4.997 3.870 1.00 43.11 C ATOM 852 CD1 PHE A 55 3.711 5.008 5.257 1.00 54.33 C ATOM 853 CD2 PHE A 55 4.794 4.684 3.153 1.00 22.15 C ATOM 854 CE1 PHE A 55 4.892 4.712 5.912 1.00 14.21 C ATOM 855 CE2 PHE A 55 5.977 4.390 3.805 1.00 54.33 C ATOM 856 CZ PHE A 55 6.025 4.403 5.186 1.00 31.11 C ATOM 0 H PHE A 55 1.519 4.023 5.055 1.00 72.52 H new ATOM 0 HA PHE A 55 0.490 4.443 2.472 1.00 31.51 H new ATOM 0 HB2 PHE A 55 2.596 5.756 2.180 1.00 3.53 H new ATOM 0 HB3 PHE A 55 1.832 6.102 3.719 1.00 3.53 H new ATOM 0 HD1 PHE A 55 2.829 5.251 5.831 1.00 54.33 H new ATOM 0 HD2 PHE A 55 4.762 4.670 2.074 1.00 22.15 H new ATOM 0 HE1 PHE A 55 4.928 4.722 6.991 1.00 14.21 H new ATOM 0 HE2 PHE A 55 6.863 4.150 3.236 1.00 54.33 H new ATOM 0 HZ PHE A 55 6.948 4.172 5.697 1.00 31.11 H new ATOM 866 N ARG A 56 2.501 1.962 2.545 1.00 21.22 N ATOM 867 CA ARG A 56 3.259 0.980 1.751 1.00 3.42 C ATOM 868 C ARG A 56 2.340 0.058 0.927 1.00 11.35 C ATOM 869 O ARG A 56 2.813 -0.721 0.097 1.00 53.34 O ATOM 870 CB ARG A 56 4.159 0.137 2.670 1.00 52.14 C ATOM 871 CG ARG A 56 4.929 0.964 3.697 1.00 42.31 C ATOM 872 CD ARG A 56 6.024 0.158 4.395 1.00 53.13 C ATOM 873 NE ARG A 56 7.189 -0.037 3.536 1.00 5.03 N ATOM 874 CZ ARG A 56 8.335 0.570 3.705 1.00 2.43 C ATOM 875 NH1 ARG A 56 8.531 1.356 4.718 1.00 22.41 N ATOM 876 NH2 ARG A 56 9.296 0.374 2.871 1.00 3.02 N ATOM 0 H ARG A 56 2.343 1.689 3.515 1.00 21.22 H new ATOM 0 HA ARG A 56 3.874 1.541 1.047 1.00 3.42 H new ATOM 0 HB2 ARG A 56 3.545 -0.596 3.193 1.00 52.14 H new ATOM 0 HB3 ARG A 56 4.869 -0.420 2.058 1.00 52.14 H new ATOM 0 HG2 ARG A 56 5.376 1.826 3.203 1.00 42.31 H new ATOM 0 HG3 ARG A 56 4.234 1.349 4.443 1.00 42.31 H new ATOM 0 HD2 ARG A 56 6.328 0.672 5.307 1.00 53.13 H new ATOM 0 HD3 ARG A 56 5.626 -0.812 4.693 1.00 53.13 H new ATOM 0 HE ARG A 56 7.103 -0.688 2.755 1.00 5.03 H new ATOM 0 HH11 ARG A 56 7.785 1.508 5.397 1.00 22.41 H new ATOM 0 HH12 ARG A 56 9.431 1.822 4.835 1.00 22.41 H new ATOM 0 HH21 ARG A 56 9.163 -0.255 2.079 1.00 3.02 H new ATOM 0 HH22 ARG A 56 10.190 0.847 3.003 1.00 3.02 H new ATOM 890 N VAL A 57 1.031 0.144 1.161 1.00 62.04 N ATOM 891 CA VAL A 57 0.060 -0.696 0.444 1.00 52.55 C ATOM 892 C VAL A 57 -0.906 0.149 -0.405 1.00 55.22 C ATOM 893 O VAL A 57 -1.729 0.897 0.127 1.00 62.54 O ATOM 894 CB VAL A 57 -0.757 -1.574 1.426 1.00 15.51 C ATOM 895 CG1 VAL A 57 -1.734 -2.472 0.669 1.00 24.23 C ATOM 896 CG2 VAL A 57 0.171 -2.407 2.312 1.00 34.22 C ATOM 0 H VAL A 57 0.615 0.783 1.838 1.00 62.04 H new ATOM 0 HA VAL A 57 0.636 -1.341 -0.219 1.00 52.55 H new ATOM 0 HB VAL A 57 -1.336 -0.911 2.070 1.00 15.51 H new ATOM 0 HG11 VAL A 57 -2.296 -3.079 1.379 1.00 24.23 H new ATOM 0 HG12 VAL A 57 -2.424 -1.855 0.093 1.00 24.23 H new ATOM 0 HG13 VAL A 57 -1.180 -3.124 -0.007 1.00 24.23 H new ATOM 0 HG21 VAL A 57 -0.425 -3.015 2.993 1.00 34.22 H new ATOM 0 HG22 VAL A 57 0.784 -3.057 1.687 1.00 34.22 H new ATOM 0 HG23 VAL A 57 0.816 -1.744 2.888 1.00 34.22 H new ATOM 906 N ILE A 58 -0.806 0.016 -1.729 1.00 3.23 N ATOM 907 CA ILE A 58 -1.648 0.782 -2.657 1.00 11.10 C ATOM 908 C ILE A 58 -2.718 -0.111 -3.320 1.00 34.50 C ATOM 909 O ILE A 58 -2.917 -1.264 -2.930 1.00 33.53 O ATOM 910 CB ILE A 58 -0.790 1.466 -3.756 1.00 73.30 C ATOM 911 CG1 ILE A 58 -0.193 0.420 -4.714 1.00 72.32 C ATOM 912 CG2 ILE A 58 0.312 2.322 -3.124 1.00 25.15 C ATOM 913 CD1 ILE A 58 0.660 1.014 -5.815 1.00 23.22 C ATOM 0 H ILE A 58 -0.149 -0.616 -2.186 1.00 3.23 H new ATOM 0 HA ILE A 58 -2.151 1.550 -2.069 1.00 11.10 H new ATOM 0 HB ILE A 58 -1.438 2.122 -4.337 1.00 73.30 H new ATOM 0 HG12 ILE A 58 0.410 -0.283 -4.139 1.00 72.32 H new ATOM 0 HG13 ILE A 58 -1.005 -0.151 -5.165 1.00 72.32 H new ATOM 0 HG21 ILE A 58 0.903 2.793 -3.910 1.00 25.15 H new ATOM 0 HG22 ILE A 58 -0.139 3.092 -2.498 1.00 25.15 H new ATOM 0 HG23 ILE A 58 0.958 1.691 -2.514 1.00 25.15 H new ATOM 0 HD11 ILE A 58 1.045 0.215 -6.448 1.00 23.22 H new ATOM 0 HD12 ILE A 58 0.057 1.695 -6.416 1.00 23.22 H new ATOM 0 HD13 ILE A 58 1.494 1.561 -5.374 1.00 23.22 H new ATOM 925 N ASN A 59 -3.406 0.425 -4.327 1.00 4.12 N ATOM 926 CA ASN A 59 -4.489 -0.307 -4.993 1.00 21.10 C ATOM 927 C ASN A 59 -3.957 -1.186 -6.139 1.00 13.01 C ATOM 928 O ASN A 59 -2.853 -0.972 -6.642 1.00 33.42 O ATOM 929 CB ASN A 59 -5.553 0.678 -5.504 1.00 72.12 C ATOM 930 CG ASN A 59 -5.014 1.693 -6.503 1.00 54.14 C ATOM 931 OD1 ASN A 59 -4.159 1.392 -7.326 1.00 0.44 O ATOM 932 ND2 ASN A 59 -5.500 2.912 -6.423 1.00 51.24 N ATOM 0 H ASN A 59 -3.236 1.359 -4.700 1.00 4.12 H new ATOM 0 HA ASN A 59 -4.948 -0.973 -4.263 1.00 21.10 H new ATOM 0 HB2 ASN A 59 -6.362 0.116 -5.970 1.00 72.12 H new ATOM 0 HB3 ASN A 59 -5.982 1.209 -4.655 1.00 72.12 H new ATOM 0 HD21 ASN A 59 -5.165 3.637 -7.057 1.00 51.24 H new ATOM 0 HD22 ASN A 59 -6.212 3.133 -5.727 1.00 51.24 H new ATOM 939 N SER A 60 -4.754 -2.168 -6.562 1.00 5.44 N ATOM 940 CA SER A 60 -4.355 -3.083 -7.650 1.00 2.13 C ATOM 941 C SER A 60 -4.318 -2.374 -9.014 1.00 33.44 C ATOM 942 O SER A 60 -4.016 -2.989 -10.035 1.00 33.23 O ATOM 943 CB SER A 60 -5.301 -4.292 -7.710 1.00 75.32 C ATOM 944 OG SER A 60 -5.220 -5.072 -6.523 1.00 65.23 O ATOM 0 H SER A 60 -5.678 -2.356 -6.174 1.00 5.44 H new ATOM 0 HA SER A 60 -3.345 -3.427 -7.428 1.00 2.13 H new ATOM 0 HB2 SER A 60 -6.325 -3.948 -7.852 1.00 75.32 H new ATOM 0 HB3 SER A 60 -5.050 -4.910 -8.572 1.00 75.32 H new ATOM 0 HG SER A 60 -5.834 -5.833 -6.589 1.00 65.23 H new ATOM 950 N GLN A 61 -4.629 -1.079 -9.022 1.00 23.41 N ATOM 951 CA GLN A 61 -4.564 -0.261 -10.239 1.00 2.13 C ATOM 952 C GLN A 61 -3.166 0.364 -10.414 1.00 62.40 C ATOM 953 O GLN A 61 -2.896 1.036 -11.412 1.00 51.50 O ATOM 954 CB GLN A 61 -5.631 0.848 -10.191 1.00 64.14 C ATOM 955 CG GLN A 61 -7.074 0.361 -10.362 1.00 12.42 C ATOM 956 CD GLN A 61 -7.491 -0.692 -9.346 1.00 73.24 C ATOM 957 OE1 GLN A 61 -7.944 -0.376 -8.251 1.00 32.42 O ATOM 958 NE2 GLN A 61 -7.361 -1.955 -9.706 1.00 11.43 N ATOM 0 H GLN A 61 -4.931 -0.567 -8.193 1.00 23.41 H new ATOM 0 HA GLN A 61 -4.758 -0.911 -11.092 1.00 2.13 H new ATOM 0 HB2 GLN A 61 -5.549 1.370 -9.238 1.00 64.14 H new ATOM 0 HB3 GLN A 61 -5.413 1.576 -10.973 1.00 64.14 H new ATOM 0 HG2 GLN A 61 -7.747 1.215 -10.284 1.00 12.42 H new ATOM 0 HG3 GLN A 61 -7.193 -0.048 -11.365 1.00 12.42 H new ATOM 0 HE21 GLN A 61 -6.981 -2.187 -10.624 1.00 11.43 H new ATOM 0 HE22 GLN A 61 -7.641 -2.699 -9.067 1.00 11.43 H new ATOM 967 N GLY A 62 -2.286 0.140 -9.435 1.00 34.01 N ATOM 968 CA GLY A 62 -0.929 0.675 -9.496 1.00 25.10 C ATOM 969 C GLY A 62 -0.858 2.163 -9.169 1.00 25.11 C ATOM 970 O GLY A 62 0.023 2.878 -9.654 1.00 51.22 O ATOM 0 H GLY A 62 -2.489 -0.405 -8.597 1.00 34.01 H new ATOM 0 HA2 GLY A 62 -0.296 0.125 -8.799 1.00 25.10 H new ATOM 0 HA3 GLY A 62 -0.524 0.509 -10.494 1.00 25.10 H new ATOM 974 N LYS A 63 -1.791 2.630 -8.344 1.00 3.34 N ATOM 975 CA LYS A 63 -1.886 4.049 -7.987 1.00 63.03 C ATOM 976 C LYS A 63 -2.104 4.225 -6.479 1.00 71.03 C ATOM 977 O LYS A 63 -2.427 3.270 -5.768 1.00 1.34 O ATOM 978 CB LYS A 63 -3.039 4.702 -8.767 1.00 32.25 C ATOM 979 CG LYS A 63 -2.862 4.643 -10.281 1.00 31.14 C ATOM 980 CD LYS A 63 -4.147 4.997 -11.024 1.00 50.41 C ATOM 981 CE LYS A 63 -3.975 4.888 -12.536 1.00 42.20 C ATOM 982 NZ LYS A 63 -3.519 3.532 -12.956 1.00 62.24 N ATOM 0 H LYS A 63 -2.500 2.043 -7.905 1.00 3.34 H new ATOM 0 HA LYS A 63 -0.947 4.535 -8.251 1.00 63.03 H new ATOM 0 HB2 LYS A 63 -3.973 4.208 -8.499 1.00 32.25 H new ATOM 0 HB3 LYS A 63 -3.130 5.744 -8.460 1.00 32.25 H new ATOM 0 HG2 LYS A 63 -2.070 5.330 -10.580 1.00 31.14 H new ATOM 0 HG3 LYS A 63 -2.541 3.642 -10.569 1.00 31.14 H new ATOM 0 HD2 LYS A 63 -4.949 4.333 -10.700 1.00 50.41 H new ATOM 0 HD3 LYS A 63 -4.449 6.012 -10.765 1.00 50.41 H new ATOM 0 HE2 LYS A 63 -4.922 5.118 -13.025 1.00 42.20 H new ATOM 0 HE3 LYS A 63 -3.253 5.632 -12.872 1.00 42.20 H new ATOM 0 HZ1 LYS A 63 -4.052 3.232 -13.797 1.00 62.24 H new ATOM 0 HZ2 LYS A 63 -2.504 3.561 -13.181 1.00 62.24 H new ATOM 0 HZ3 LYS A 63 -3.683 2.856 -12.183 1.00 62.24 H new ATOM 996 N ILE A 64 -1.930 5.450 -5.998 1.00 65.11 N ATOM 997 CA ILE A 64 -2.134 5.759 -4.577 1.00 63.41 C ATOM 998 C ILE A 64 -3.596 5.525 -4.154 1.00 15.13 C ATOM 999 O ILE A 64 -4.532 5.845 -4.889 1.00 41.53 O ATOM 1000 CB ILE A 64 -1.705 7.214 -4.253 1.00 13.41 C ATOM 1001 CG1 ILE A 64 -0.180 7.359 -4.420 1.00 40.25 C ATOM 1002 CG2 ILE A 64 -2.139 7.619 -2.844 1.00 31.04 C ATOM 1003 CD1 ILE A 64 0.354 8.729 -4.056 1.00 23.01 C ATOM 0 H ILE A 64 -1.648 6.249 -6.566 1.00 65.11 H new ATOM 0 HA ILE A 64 -1.503 5.079 -4.005 1.00 63.41 H new ATOM 0 HB ILE A 64 -2.202 7.885 -4.953 1.00 13.41 H new ATOM 0 HG12 ILE A 64 0.315 6.611 -3.801 1.00 40.25 H new ATOM 0 HG13 ILE A 64 0.084 7.141 -5.455 1.00 40.25 H new ATOM 0 HG21 ILE A 64 -1.824 8.644 -2.647 1.00 31.04 H new ATOM 0 HG22 ILE A 64 -3.224 7.551 -2.764 1.00 31.04 H new ATOM 0 HG23 ILE A 64 -1.679 6.951 -2.116 1.00 31.04 H new ATOM 0 HD11 ILE A 64 1.434 8.749 -4.201 1.00 23.01 H new ATOM 0 HD12 ILE A 64 -0.111 9.482 -4.692 1.00 23.01 H new ATOM 0 HD13 ILE A 64 0.124 8.944 -3.012 1.00 23.01 H new ATOM 1015 N SER A 65 -3.780 4.953 -2.963 1.00 12.02 N ATOM 1016 CA SER A 65 -5.116 4.571 -2.479 1.00 44.51 C ATOM 1017 C SER A 65 -5.954 5.789 -2.065 1.00 61.02 C ATOM 1018 O SER A 65 -7.157 5.846 -2.330 1.00 31.12 O ATOM 1019 CB SER A 65 -5.000 3.601 -1.296 1.00 14.12 C ATOM 1020 OG SER A 65 -6.278 3.150 -0.867 1.00 72.22 O ATOM 0 H SER A 65 -3.023 4.742 -2.313 1.00 12.02 H new ATOM 0 HA SER A 65 -5.626 4.081 -3.308 1.00 44.51 H new ATOM 0 HB2 SER A 65 -4.389 2.746 -1.584 1.00 14.12 H new ATOM 0 HB3 SER A 65 -4.490 4.094 -0.468 1.00 14.12 H new ATOM 0 HG SER A 65 -6.171 2.366 -0.288 1.00 72.22 H new ATOM 1026 N LEU A 66 -5.319 6.758 -1.408 1.00 32.14 N ATOM 1027 CA LEU A 66 -6.013 7.978 -0.972 1.00 4.15 C ATOM 1028 C LEU A 66 -5.829 9.122 -1.984 1.00 32.30 C ATOM 1029 O LEU A 66 -4.904 9.108 -2.796 1.00 14.35 O ATOM 1030 CB LEU A 66 -5.515 8.408 0.417 1.00 14.22 C ATOM 1031 CG LEU A 66 -5.751 7.385 1.544 1.00 70.43 C ATOM 1032 CD1 LEU A 66 -5.259 7.927 2.883 1.00 2.44 C ATOM 1033 CD2 LEU A 66 -7.229 7.003 1.628 1.00 1.34 C ATOM 0 H LEU A 66 -4.329 6.727 -1.165 1.00 32.14 H new ATOM 0 HA LEU A 66 -7.078 7.753 -0.913 1.00 4.15 H new ATOM 0 HB2 LEU A 66 -4.447 8.615 0.354 1.00 14.22 H new ATOM 0 HB3 LEU A 66 -6.006 9.343 0.688 1.00 14.22 H new ATOM 0 HG LEU A 66 -5.178 6.488 1.310 1.00 70.43 H new ATOM 0 HD11 LEU A 66 -5.437 7.186 3.663 1.00 2.44 H new ATOM 0 HD12 LEU A 66 -4.192 8.138 2.820 1.00 2.44 H new ATOM 0 HD13 LEU A 66 -5.797 8.844 3.124 1.00 2.44 H new ATOM 0 HD21 LEU A 66 -7.373 6.280 2.431 1.00 1.34 H new ATOM 0 HD22 LEU A 66 -7.824 7.893 1.831 1.00 1.34 H new ATOM 0 HD23 LEU A 66 -7.545 6.563 0.682 1.00 1.34 H new ATOM 1045 N LYS A 67 -6.716 10.115 -1.924 1.00 14.33 N ATOM 1046 CA LYS A 67 -6.687 11.244 -2.869 1.00 21.11 C ATOM 1047 C LYS A 67 -6.562 12.594 -2.141 1.00 60.44 C ATOM 1048 O LYS A 67 -6.508 12.648 -0.911 1.00 32.02 O ATOM 1049 CB LYS A 67 -7.946 11.221 -3.748 1.00 12.12 C ATOM 1050 CG LYS A 67 -9.255 11.244 -2.963 1.00 20.21 C ATOM 1051 CD LYS A 67 -10.465 11.137 -3.888 1.00 43.31 C ATOM 1052 CE LYS A 67 -11.776 11.122 -3.111 1.00 31.11 C ATOM 1053 NZ LYS A 67 -12.948 10.985 -4.013 1.00 2.52 N ATOM 0 H LYS A 67 -7.465 10.166 -1.234 1.00 14.33 H new ATOM 0 HA LYS A 67 -5.805 11.133 -3.500 1.00 21.11 H new ATOM 0 HB2 LYS A 67 -7.923 12.079 -4.420 1.00 12.12 H new ATOM 0 HB3 LYS A 67 -7.924 10.327 -4.372 1.00 12.12 H new ATOM 0 HG2 LYS A 67 -9.267 10.420 -2.250 1.00 20.21 H new ATOM 0 HG3 LYS A 67 -9.318 12.166 -2.385 1.00 20.21 H new ATOM 0 HD2 LYS A 67 -10.465 11.976 -4.584 1.00 43.31 H new ATOM 0 HD3 LYS A 67 -10.386 10.228 -4.485 1.00 43.31 H new ATOM 0 HE2 LYS A 67 -11.767 10.297 -2.398 1.00 31.11 H new ATOM 0 HE3 LYS A 67 -11.867 12.042 -2.533 1.00 31.11 H new ATOM 0 HZ1 LYS A 67 -13.822 10.979 -3.449 1.00 2.52 H new ATOM 0 HZ2 LYS A 67 -12.971 11.785 -4.677 1.00 2.52 H new ATOM 0 HZ3 LYS A 67 -12.874 10.095 -4.546 1.00 2.52 H new ATOM 1067 N GLY A 68 -6.494 13.679 -2.914 1.00 34.41 N ATOM 1068 CA GLY A 68 -6.390 15.018 -2.337 1.00 33.50 C ATOM 1069 C GLY A 68 -5.071 15.257 -1.604 1.00 32.23 C ATOM 1070 O GLY A 68 -3.994 15.069 -2.172 1.00 42.32 O ATOM 0 H GLY A 68 -6.509 13.657 -3.934 1.00 34.41 H new ATOM 0 HA2 GLY A 68 -6.496 15.758 -3.130 1.00 33.50 H new ATOM 0 HA3 GLY A 68 -7.217 15.173 -1.644 1.00 33.50 H new ATOM 1074 N ARG A 69 -5.152 15.657 -0.337 1.00 13.20 N ATOM 1075 CA ARG A 69 -3.956 15.963 0.456 1.00 20.45 C ATOM 1076 C ARG A 69 -3.222 14.679 0.881 1.00 63.33 C ATOM 1077 O ARG A 69 -1.993 14.606 0.823 1.00 44.45 O ATOM 1078 CB ARG A 69 -4.341 16.793 1.690 1.00 31.14 C ATOM 1079 CG ARG A 69 -3.149 17.306 2.499 1.00 42.55 C ATOM 1080 CD ARG A 69 -2.194 18.146 1.648 1.00 33.44 C ATOM 1081 NE ARG A 69 -2.869 19.264 0.984 1.00 24.42 N ATOM 1082 CZ ARG A 69 -2.250 20.234 0.361 1.00 43.52 C ATOM 1083 NH1 ARG A 69 -0.957 20.292 0.341 1.00 43.34 N ATOM 1084 NH2 ARG A 69 -2.933 21.159 -0.230 1.00 70.54 N ATOM 0 H ARG A 69 -6.031 15.778 0.165 1.00 13.20 H new ATOM 0 HA ARG A 69 -3.276 16.544 -0.167 1.00 20.45 H new ATOM 0 HB2 ARG A 69 -4.941 17.645 1.368 1.00 31.14 H new ATOM 0 HB3 ARG A 69 -4.972 16.186 2.339 1.00 31.14 H new ATOM 0 HG2 ARG A 69 -3.510 17.904 3.336 1.00 42.55 H new ATOM 0 HG3 ARG A 69 -2.608 16.460 2.922 1.00 42.55 H new ATOM 0 HD2 ARG A 69 -1.394 18.532 2.280 1.00 33.44 H new ATOM 0 HD3 ARG A 69 -1.727 17.510 0.896 1.00 33.44 H new ATOM 0 HE ARG A 69 -3.888 19.288 1.009 1.00 24.42 H new ATOM 0 HH11 ARG A 69 -0.407 19.576 0.815 1.00 43.34 H new ATOM 0 HH12 ARG A 69 -0.488 21.054 -0.149 1.00 43.34 H new ATOM 0 HH21 ARG A 69 -3.952 21.132 -0.210 1.00 70.54 H new ATOM 0 HH22 ARG A 69 -2.452 21.916 -0.716 1.00 70.54 H new ATOM 1098 N ASP A 70 -3.983 13.666 1.298 1.00 42.22 N ATOM 1099 CA ASP A 70 -3.409 12.375 1.697 1.00 2.34 C ATOM 1100 C ASP A 70 -2.700 11.674 0.529 1.00 73.35 C ATOM 1101 O ASP A 70 -1.852 10.810 0.741 1.00 32.11 O ATOM 1102 CB ASP A 70 -4.493 11.471 2.286 1.00 21.43 C ATOM 1103 CG ASP A 70 -4.993 11.996 3.615 1.00 13.42 C ATOM 1104 OD1 ASP A 70 -5.916 12.834 3.620 1.00 32.11 O ATOM 1105 OD2 ASP A 70 -4.443 11.593 4.658 1.00 0.22 O ATOM 0 H ASP A 70 -4.999 13.712 1.369 1.00 42.22 H new ATOM 0 HA ASP A 70 -2.657 12.573 2.460 1.00 2.34 H new ATOM 0 HB2 ASP A 70 -5.326 11.397 1.587 1.00 21.43 H new ATOM 0 HB3 ASP A 70 -4.097 10.464 2.417 1.00 21.43 H new ATOM 1110 N LEU A 71 -3.046 12.054 -0.700 1.00 51.13 N ATOM 1111 CA LEU A 71 -2.339 11.549 -1.883 1.00 45.25 C ATOM 1112 C LEU A 71 -0.862 11.967 -1.825 1.00 53.20 C ATOM 1113 O LEU A 71 0.036 11.128 -1.904 1.00 1.42 O ATOM 1114 CB LEU A 71 -3.016 12.070 -3.167 1.00 2.34 C ATOM 1115 CG LEU A 71 -2.552 11.431 -4.499 1.00 25.02 C ATOM 1116 CD1 LEU A 71 -3.606 11.637 -5.586 1.00 13.54 C ATOM 1117 CD2 LEU A 71 -1.208 12.003 -4.961 1.00 61.33 C ATOM 0 H LEU A 71 -3.805 12.704 -0.905 1.00 51.13 H new ATOM 0 HA LEU A 71 -2.386 10.460 -1.896 1.00 45.25 H new ATOM 0 HB2 LEU A 71 -4.091 11.918 -3.072 1.00 2.34 H new ATOM 0 HB3 LEU A 71 -2.850 13.146 -3.228 1.00 2.34 H new ATOM 0 HG LEU A 71 -2.422 10.363 -4.322 1.00 25.02 H new ATOM 0 HD11 LEU A 71 -3.264 11.182 -6.515 1.00 13.54 H new ATOM 0 HD12 LEU A 71 -4.542 11.172 -5.278 1.00 13.54 H new ATOM 0 HD13 LEU A 71 -3.765 12.704 -5.741 1.00 13.54 H new ATOM 0 HD21 LEU A 71 -0.915 11.531 -5.899 1.00 61.33 H new ATOM 0 HD22 LEU A 71 -1.302 13.079 -5.110 1.00 61.33 H new ATOM 0 HD23 LEU A 71 -0.449 11.807 -4.203 1.00 61.33 H new ATOM 1129 N ASP A 72 -0.621 13.268 -1.663 1.00 43.30 N ATOM 1130 CA ASP A 72 0.743 13.794 -1.551 1.00 52.44 C ATOM 1131 C ASP A 72 1.394 13.381 -0.217 1.00 32.24 C ATOM 1132 O ASP A 72 2.600 13.159 -0.151 1.00 64.45 O ATOM 1133 CB ASP A 72 0.739 15.321 -1.695 1.00 14.30 C ATOM 1134 CG ASP A 72 2.131 15.921 -1.567 1.00 62.05 C ATOM 1135 OD1 ASP A 72 2.940 15.778 -2.511 1.00 72.01 O ATOM 1136 OD2 ASP A 72 2.423 16.540 -0.521 1.00 42.32 O ATOM 0 H ASP A 72 -1.351 13.978 -1.606 1.00 43.30 H new ATOM 0 HA ASP A 72 1.336 13.366 -2.359 1.00 52.44 H new ATOM 0 HB2 ASP A 72 0.318 15.590 -2.664 1.00 14.30 H new ATOM 0 HB3 ASP A 72 0.089 15.753 -0.934 1.00 14.30 H new ATOM 1141 N ARG A 73 0.592 13.272 0.840 1.00 1.54 N ATOM 1142 CA ARG A 73 1.095 12.819 2.142 1.00 24.32 C ATOM 1143 C ARG A 73 1.638 11.377 2.064 1.00 14.22 C ATOM 1144 O ARG A 73 2.745 11.093 2.539 1.00 54.35 O ATOM 1145 CB ARG A 73 -0.005 12.949 3.211 1.00 41.54 C ATOM 1146 CG ARG A 73 0.405 12.453 4.598 1.00 52.12 C ATOM 1147 CD ARG A 73 -0.326 13.199 5.716 1.00 71.41 C ATOM 1148 NE ARG A 73 -1.787 13.120 5.607 1.00 62.33 N ATOM 1149 CZ ARG A 73 -2.606 13.945 6.210 1.00 43.44 C ATOM 1150 NH1 ARG A 73 -2.151 14.865 6.996 1.00 75.42 N ATOM 1151 NH2 ARG A 73 -3.884 13.832 6.055 1.00 62.42 N ATOM 0 H ARG A 73 -0.405 13.489 0.825 1.00 1.54 H new ATOM 0 HA ARG A 73 1.929 13.459 2.430 1.00 24.32 H new ATOM 0 HB2 ARG A 73 -0.302 13.995 3.285 1.00 41.54 H new ATOM 0 HB3 ARG A 73 -0.882 12.391 2.883 1.00 41.54 H new ATOM 0 HG2 ARG A 73 0.196 11.386 4.677 1.00 52.12 H new ATOM 0 HG3 ARG A 73 1.481 12.577 4.723 1.00 52.12 H new ATOM 0 HD2 ARG A 73 -0.018 12.790 6.678 1.00 71.41 H new ATOM 0 HD3 ARG A 73 -0.024 14.246 5.703 1.00 71.41 H new ATOM 0 HE ARG A 73 -2.187 12.381 5.029 1.00 62.33 H new ATOM 0 HH11 ARG A 73 -1.147 14.953 7.151 1.00 75.42 H new ATOM 0 HH12 ARG A 73 -2.796 15.503 7.461 1.00 75.42 H new ATOM 0 HH21 ARG A 73 -4.262 13.096 5.459 1.00 62.42 H new ATOM 0 HH22 ARG A 73 -4.514 14.479 6.529 1.00 62.42 H new ATOM 1165 N GLN A 74 0.872 10.474 1.449 1.00 71.25 N ATOM 1166 CA GLN A 74 1.348 9.109 1.192 1.00 5.51 C ATOM 1167 C GLN A 74 2.555 9.148 0.245 1.00 44.41 C ATOM 1168 O GLN A 74 3.576 8.503 0.484 1.00 62.25 O ATOM 1169 CB GLN A 74 0.231 8.243 0.581 1.00 23.02 C ATOM 1170 CG GLN A 74 0.606 6.767 0.460 1.00 44.24 C ATOM 1171 CD GLN A 74 -0.485 5.902 -0.154 1.00 31.33 C ATOM 1172 OE1 GLN A 74 -1.671 6.195 -0.056 1.00 74.23 O ATOM 1173 NE2 GLN A 74 -0.089 4.808 -0.772 1.00 24.41 N ATOM 0 H GLN A 74 -0.076 10.659 1.120 1.00 71.25 H new ATOM 0 HA GLN A 74 1.646 8.664 2.142 1.00 5.51 H new ATOM 0 HB2 GLN A 74 -0.665 8.333 1.194 1.00 23.02 H new ATOM 0 HB3 GLN A 74 -0.019 8.629 -0.407 1.00 23.02 H new ATOM 0 HG2 GLN A 74 1.509 6.680 -0.145 1.00 44.24 H new ATOM 0 HG3 GLN A 74 0.848 6.381 1.450 1.00 44.24 H new ATOM 0 HE21 GLN A 74 0.905 4.591 -0.837 1.00 24.41 H new ATOM 0 HE22 GLN A 74 -0.777 4.178 -1.185 1.00 24.41 H new ATOM 1182 N LYS A 75 2.418 9.934 -0.820 1.00 13.14 N ATOM 1183 CA LYS A 75 3.491 10.158 -1.796 1.00 72.41 C ATOM 1184 C LYS A 75 4.829 10.506 -1.120 1.00 14.22 C ATOM 1185 O LYS A 75 5.853 9.906 -1.428 1.00 75.30 O ATOM 1186 CB LYS A 75 3.067 11.276 -2.760 1.00 73.31 C ATOM 1187 CG LYS A 75 4.214 11.974 -3.484 1.00 55.23 C ATOM 1188 CD LYS A 75 3.697 13.022 -4.467 1.00 25.03 C ATOM 1189 CE LYS A 75 4.803 13.958 -4.932 1.00 74.33 C ATOM 1190 NZ LYS A 75 5.350 14.764 -3.808 1.00 2.23 N ATOM 0 H LYS A 75 1.557 10.437 -1.035 1.00 13.14 H new ATOM 0 HA LYS A 75 3.650 9.231 -2.347 1.00 72.41 H new ATOM 0 HB2 LYS A 75 2.390 10.856 -3.504 1.00 73.31 H new ATOM 0 HB3 LYS A 75 2.503 12.022 -2.201 1.00 73.31 H new ATOM 0 HG2 LYS A 75 4.871 12.449 -2.755 1.00 55.23 H new ATOM 0 HG3 LYS A 75 4.812 11.236 -4.018 1.00 55.23 H new ATOM 0 HD2 LYS A 75 3.256 12.524 -5.330 1.00 25.03 H new ATOM 0 HD3 LYS A 75 2.904 13.603 -3.995 1.00 25.03 H new ATOM 0 HE2 LYS A 75 5.605 13.376 -5.387 1.00 74.33 H new ATOM 0 HE3 LYS A 75 4.416 14.624 -5.703 1.00 74.33 H new ATOM 0 HZ1 LYS A 75 5.908 15.556 -4.188 1.00 2.23 H new ATOM 0 HZ2 LYS A 75 4.567 15.136 -3.234 1.00 2.23 H new ATOM 0 HZ3 LYS A 75 5.959 14.165 -3.215 1.00 2.23 H new ATOM 1204 N GLN A 76 4.810 11.463 -0.195 1.00 35.50 N ATOM 1205 CA GLN A 76 6.027 11.879 0.517 1.00 71.13 C ATOM 1206 C GLN A 76 6.641 10.723 1.323 1.00 11.14 C ATOM 1207 O GLN A 76 7.857 10.522 1.309 1.00 4.31 O ATOM 1208 CB GLN A 76 5.729 13.064 1.443 1.00 65.00 C ATOM 1209 CG GLN A 76 5.376 14.347 0.698 1.00 74.23 C ATOM 1210 CD GLN A 76 5.047 15.498 1.632 1.00 23.33 C ATOM 1211 OE1 GLN A 76 5.924 16.257 2.040 1.00 41.52 O ATOM 1212 NE2 GLN A 76 3.784 15.646 1.967 1.00 44.14 N ATOM 0 H GLN A 76 3.968 11.968 0.082 1.00 35.50 H new ATOM 0 HA GLN A 76 6.754 12.185 -0.235 1.00 71.13 H new ATOM 0 HB2 GLN A 76 4.904 12.799 2.104 1.00 65.00 H new ATOM 0 HB3 GLN A 76 6.598 13.248 2.075 1.00 65.00 H new ATOM 0 HG2 GLN A 76 6.211 14.632 0.058 1.00 74.23 H new ATOM 0 HG3 GLN A 76 4.524 14.160 0.045 1.00 74.23 H new ATOM 0 HE21 GLN A 76 3.082 14.998 1.610 1.00 44.14 H new ATOM 0 HE22 GLN A 76 3.506 16.409 2.584 1.00 44.14 H new ATOM 1221 N LYS A 77 5.800 9.964 2.025 1.00 55.41 N ATOM 1222 CA LYS A 77 6.275 8.790 2.771 1.00 71.14 C ATOM 1223 C LYS A 77 6.859 7.726 1.825 1.00 24.14 C ATOM 1224 O LYS A 77 7.747 6.960 2.206 1.00 41.35 O ATOM 1225 CB LYS A 77 5.145 8.194 3.624 1.00 10.51 C ATOM 1226 CG LYS A 77 4.743 9.073 4.806 1.00 34.13 C ATOM 1227 CD LYS A 77 5.929 9.340 5.732 1.00 75.03 C ATOM 1228 CE LYS A 77 5.560 10.269 6.882 1.00 32.13 C ATOM 1229 NZ LYS A 77 4.604 9.636 7.831 1.00 3.44 N ATOM 0 H LYS A 77 4.797 10.135 2.095 1.00 55.41 H new ATOM 0 HA LYS A 77 7.073 9.120 3.437 1.00 71.14 H new ATOM 0 HB2 LYS A 77 4.273 8.028 2.992 1.00 10.51 H new ATOM 0 HB3 LYS A 77 5.458 7.219 3.997 1.00 10.51 H new ATOM 0 HG2 LYS A 77 4.346 10.019 4.439 1.00 34.13 H new ATOM 0 HG3 LYS A 77 3.944 8.588 5.367 1.00 34.13 H new ATOM 0 HD2 LYS A 77 6.295 8.395 6.133 1.00 75.03 H new ATOM 0 HD3 LYS A 77 6.745 9.780 5.158 1.00 75.03 H new ATOM 0 HE2 LYS A 77 6.464 10.558 7.418 1.00 32.13 H new ATOM 0 HE3 LYS A 77 5.121 11.183 6.482 1.00 32.13 H new ATOM 0 HZ1 LYS A 77 4.064 10.375 8.324 1.00 3.44 H new ATOM 0 HZ2 LYS A 77 3.950 9.021 7.306 1.00 3.44 H new ATOM 0 HZ3 LYS A 77 5.130 9.069 8.527 1.00 3.44 H new ATOM 1243 N LEU A 78 6.356 7.690 0.594 1.00 65.13 N ATOM 1244 CA LEU A 78 6.898 6.808 -0.446 1.00 70.22 C ATOM 1245 C LEU A 78 8.237 7.346 -0.978 1.00 25.14 C ATOM 1246 O LEU A 78 9.198 6.592 -1.147 1.00 3.11 O ATOM 1247 CB LEU A 78 5.886 6.660 -1.591 1.00 12.54 C ATOM 1248 CG LEU A 78 4.545 6.022 -1.191 1.00 24.04 C ATOM 1249 CD1 LEU A 78 3.551 6.074 -2.348 1.00 5.41 C ATOM 1250 CD2 LEU A 78 4.753 4.584 -0.718 1.00 64.53 C ATOM 0 H LEU A 78 5.570 8.263 0.287 1.00 65.13 H new ATOM 0 HA LEU A 78 7.079 5.827 -0.006 1.00 70.22 H new ATOM 0 HB2 LEU A 78 5.691 7.646 -2.014 1.00 12.54 H new ATOM 0 HB3 LEU A 78 6.337 6.058 -2.380 1.00 12.54 H new ATOM 0 HG LEU A 78 4.128 6.597 -0.364 1.00 24.04 H new ATOM 0 HD11 LEU A 78 2.611 5.617 -2.041 1.00 5.41 H new ATOM 0 HD12 LEU A 78 3.375 7.112 -2.630 1.00 5.41 H new ATOM 0 HD13 LEU A 78 3.957 5.530 -3.201 1.00 5.41 H new ATOM 0 HD21 LEU A 78 3.793 4.150 -0.440 1.00 64.53 H new ATOM 0 HD22 LEU A 78 5.197 3.997 -1.522 1.00 64.53 H new ATOM 0 HD23 LEU A 78 5.418 4.578 0.146 1.00 64.53 H new ATOM 1262 N GLU A 79 8.301 8.655 -1.225 1.00 63.13 N ATOM 1263 CA GLU A 79 9.543 9.303 -1.662 1.00 71.40 C ATOM 1264 C GLU A 79 10.672 9.055 -0.652 1.00 43.23 C ATOM 1265 O GLU A 79 11.822 8.835 -1.033 1.00 50.11 O ATOM 1266 CB GLU A 79 9.330 10.814 -1.852 1.00 43.14 C ATOM 1267 CG GLU A 79 8.345 11.164 -2.963 1.00 21.11 C ATOM 1268 CD GLU A 79 8.218 12.665 -3.189 1.00 12.00 C ATOM 1269 OE1 GLU A 79 9.023 13.228 -3.964 1.00 13.03 O ATOM 1270 OE2 GLU A 79 7.319 13.295 -2.588 1.00 32.44 O ATOM 0 H GLU A 79 7.508 9.290 -1.130 1.00 63.13 H new ATOM 0 HA GLU A 79 9.830 8.867 -2.619 1.00 71.40 H new ATOM 0 HB2 GLU A 79 8.973 11.241 -0.915 1.00 43.14 H new ATOM 0 HB3 GLU A 79 10.290 11.282 -2.070 1.00 43.14 H new ATOM 0 HG2 GLU A 79 8.665 10.688 -3.890 1.00 21.11 H new ATOM 0 HG3 GLU A 79 7.366 10.754 -2.716 1.00 21.11 H new ATOM 1277 N ALA A 80 10.324 9.073 0.636 1.00 10.22 N ATOM 1278 CA ALA A 80 11.278 8.774 1.715 1.00 61.14 C ATOM 1279 C ALA A 80 11.871 7.356 1.590 1.00 14.35 C ATOM 1280 O ALA A 80 12.987 7.090 2.049 1.00 62.50 O ATOM 1281 CB ALA A 80 10.598 8.942 3.069 1.00 40.25 C ATOM 0 H ALA A 80 9.383 9.293 0.963 1.00 10.22 H new ATOM 0 HA ALA A 80 12.105 9.479 1.629 1.00 61.14 H new ATOM 0 HB1 ALA A 80 11.310 8.719 3.864 1.00 40.25 H new ATOM 0 HB2 ALA A 80 10.246 9.968 3.174 1.00 40.25 H new ATOM 0 HB3 ALA A 80 9.751 8.259 3.138 1.00 40.25 H new ATOM 1287 N GLU A 81 11.117 6.446 0.974 1.00 72.11 N ATOM 1288 CA GLU A 81 11.589 5.075 0.729 1.00 30.21 C ATOM 1289 C GLU A 81 12.312 4.965 -0.625 1.00 10.41 C ATOM 1290 O GLU A 81 12.844 3.910 -0.972 1.00 10.14 O ATOM 1291 CB GLU A 81 10.409 4.094 0.758 1.00 43.32 C ATOM 1292 CG GLU A 81 9.637 4.076 2.073 1.00 70.12 C ATOM 1293 CD GLU A 81 10.500 3.684 3.262 1.00 74.41 C ATOM 1294 OE1 GLU A 81 10.892 2.500 3.352 1.00 74.40 O ATOM 1295 OE2 GLU A 81 10.775 4.553 4.120 1.00 21.00 O ATOM 0 H GLU A 81 10.173 6.630 0.633 1.00 72.11 H new ATOM 0 HA GLU A 81 12.295 4.823 1.520 1.00 30.21 H new ATOM 0 HB2 GLU A 81 9.722 4.347 -0.049 1.00 43.32 H new ATOM 0 HB3 GLU A 81 10.782 3.090 0.556 1.00 43.32 H new ATOM 0 HG2 GLU A 81 9.210 5.063 2.251 1.00 70.12 H new ATOM 0 HG3 GLU A 81 8.804 3.378 1.990 1.00 70.12 H new ATOM 1302 N GLY A 82 12.327 6.061 -1.383 1.00 25.42 N ATOM 1303 CA GLY A 82 12.924 6.057 -2.716 1.00 62.24 C ATOM 1304 C GLY A 82 11.967 5.545 -3.789 1.00 44.43 C ATOM 1305 O GLY A 82 12.353 4.762 -4.660 1.00 42.13 O ATOM 0 H GLY A 82 11.934 6.958 -1.098 1.00 25.42 H new ATOM 0 HA2 GLY A 82 13.241 7.068 -2.971 1.00 62.24 H new ATOM 0 HA3 GLY A 82 13.819 5.435 -2.707 1.00 62.24 H new ATOM 1309 N ILE A 83 10.713 5.991 -3.724 1.00 42.40 N ATOM 1310 CA ILE A 83 9.669 5.521 -4.643 1.00 43.25 C ATOM 1311 C ILE A 83 9.138 6.647 -5.551 1.00 53.04 C ATOM 1312 O ILE A 83 8.814 7.742 -5.087 1.00 21.14 O ATOM 1313 CB ILE A 83 8.492 4.889 -3.854 1.00 31.20 C ATOM 1314 CG1 ILE A 83 9.009 3.738 -2.970 1.00 52.43 C ATOM 1315 CG2 ILE A 83 7.396 4.399 -4.803 1.00 54.24 C ATOM 1316 CD1 ILE A 83 7.947 3.102 -2.098 1.00 72.40 C ATOM 0 H ILE A 83 10.392 6.679 -3.043 1.00 42.40 H new ATOM 0 HA ILE A 83 10.128 4.767 -5.282 1.00 43.25 H new ATOM 0 HB ILE A 83 8.054 5.653 -3.212 1.00 31.20 H new ATOM 0 HG12 ILE A 83 9.446 2.971 -3.610 1.00 52.43 H new ATOM 0 HG13 ILE A 83 9.809 4.115 -2.333 1.00 52.43 H new ATOM 0 HG21 ILE A 83 6.583 3.960 -4.224 1.00 54.24 H new ATOM 0 HG22 ILE A 83 7.016 5.239 -5.384 1.00 54.24 H new ATOM 0 HG23 ILE A 83 7.808 3.648 -5.477 1.00 54.24 H new ATOM 0 HD11 ILE A 83 8.393 2.301 -1.508 1.00 72.40 H new ATOM 0 HD12 ILE A 83 7.526 3.854 -1.431 1.00 72.40 H new ATOM 0 HD13 ILE A 83 7.157 2.692 -2.727 1.00 72.40 H new ATOM 1328 N GLU A 84 9.069 6.361 -6.849 1.00 14.04 N ATOM 1329 CA GLU A 84 8.528 7.294 -7.844 1.00 40.44 C ATOM 1330 C GLU A 84 7.000 7.446 -7.727 1.00 44.22 C ATOM 1331 O GLU A 84 6.261 6.459 -7.739 1.00 62.13 O ATOM 1332 CB GLU A 84 8.890 6.798 -9.253 1.00 61.02 C ATOM 1333 CG GLU A 84 8.269 7.602 -10.396 1.00 2.52 C ATOM 1334 CD GLU A 84 8.783 9.031 -10.480 1.00 25.53 C ATOM 1335 OE1 GLU A 84 9.910 9.232 -10.970 1.00 44.03 O ATOM 1336 OE2 GLU A 84 8.056 9.958 -10.066 1.00 1.33 O ATOM 0 H GLU A 84 9.386 5.476 -7.245 1.00 14.04 H new ATOM 0 HA GLU A 84 8.970 8.273 -7.659 1.00 40.44 H new ATOM 0 HB2 GLU A 84 9.974 6.817 -9.362 1.00 61.02 H new ATOM 0 HB3 GLU A 84 8.578 5.758 -9.348 1.00 61.02 H new ATOM 0 HG2 GLU A 84 8.472 7.095 -11.339 1.00 2.52 H new ATOM 0 HG3 GLU A 84 7.186 7.620 -10.271 1.00 2.52 H new ATOM 1343 N VAL A 85 6.536 8.691 -7.620 1.00 0.31 N ATOM 1344 CA VAL A 85 5.102 8.993 -7.591 1.00 10.43 C ATOM 1345 C VAL A 85 4.766 10.113 -8.591 1.00 41.11 C ATOM 1346 O VAL A 85 5.032 11.289 -8.334 1.00 0.23 O ATOM 1347 CB VAL A 85 4.634 9.424 -6.176 1.00 61.00 C ATOM 1348 CG1 VAL A 85 3.126 9.666 -6.159 1.00 22.12 C ATOM 1349 CG2 VAL A 85 5.030 8.387 -5.125 1.00 64.10 C ATOM 0 H VAL A 85 7.136 9.513 -7.551 1.00 0.31 H new ATOM 0 HA VAL A 85 4.578 8.078 -7.868 1.00 10.43 H new ATOM 0 HB VAL A 85 5.134 10.360 -5.926 1.00 61.00 H new ATOM 0 HG11 VAL A 85 2.817 9.967 -5.158 1.00 22.12 H new ATOM 0 HG12 VAL A 85 2.876 10.455 -6.869 1.00 22.12 H new ATOM 0 HG13 VAL A 85 2.607 8.749 -6.438 1.00 22.12 H new ATOM 0 HG21 VAL A 85 4.689 8.716 -4.143 1.00 64.10 H new ATOM 0 HG22 VAL A 85 4.569 7.429 -5.367 1.00 64.10 H new ATOM 0 HG23 VAL A 85 6.114 8.276 -5.114 1.00 64.10 H new ATOM 1359 N SER A 86 4.192 9.744 -9.734 1.00 63.13 N ATOM 1360 CA SER A 86 3.847 10.726 -10.775 1.00 54.20 C ATOM 1361 C SER A 86 2.521 11.451 -10.476 1.00 61.23 C ATOM 1362 O SER A 86 1.846 11.151 -9.490 1.00 33.21 O ATOM 1363 CB SER A 86 3.799 10.049 -12.151 1.00 72.53 C ATOM 1364 OG SER A 86 5.077 9.536 -12.513 1.00 44.31 O ATOM 0 H SER A 86 3.955 8.780 -9.968 1.00 63.13 H new ATOM 0 HA SER A 86 4.630 11.485 -10.780 1.00 54.20 H new ATOM 0 HB2 SER A 86 3.069 9.240 -12.137 1.00 72.53 H new ATOM 0 HB3 SER A 86 3.465 10.766 -12.901 1.00 72.53 H new ATOM 0 HG SER A 86 5.020 9.108 -13.393 1.00 44.31 H new ATOM 1370 N GLU A 87 2.151 12.377 -11.366 1.00 20.42 N ATOM 1371 CA GLU A 87 1.067 13.358 -11.132 1.00 54.04 C ATOM 1372 C GLU A 87 -0.195 12.781 -10.442 1.00 31.20 C ATOM 1373 O GLU A 87 -0.636 13.307 -9.417 1.00 15.22 O ATOM 1374 CB GLU A 87 0.684 14.048 -12.459 1.00 64.44 C ATOM 1375 CG GLU A 87 0.047 13.137 -13.513 1.00 21.14 C ATOM 1376 CD GLU A 87 0.924 11.955 -13.909 1.00 13.44 C ATOM 1377 OE1 GLU A 87 1.905 12.158 -14.650 1.00 72.24 O ATOM 1378 OE2 GLU A 87 0.626 10.819 -13.481 1.00 54.04 O ATOM 0 H GLU A 87 2.594 12.474 -12.279 1.00 20.42 H new ATOM 0 HA GLU A 87 1.474 14.083 -10.427 1.00 54.04 H new ATOM 0 HB2 GLU A 87 -0.008 14.861 -12.240 1.00 64.44 H new ATOM 0 HB3 GLU A 87 1.580 14.499 -12.886 1.00 64.44 H new ATOM 0 HG2 GLU A 87 -0.903 12.762 -13.131 1.00 21.14 H new ATOM 0 HG3 GLU A 87 -0.177 13.726 -14.402 1.00 21.14 H new ATOM 1385 N ILE A 88 -0.771 11.709 -10.984 1.00 64.03 N ATOM 1386 CA ILE A 88 -2.017 11.140 -10.431 1.00 20.15 C ATOM 1387 C ILE A 88 -1.744 10.137 -9.296 1.00 52.45 C ATOM 1388 O ILE A 88 -2.600 9.316 -8.961 1.00 64.55 O ATOM 1389 CB ILE A 88 -2.848 10.424 -11.529 1.00 42.15 C ATOM 1390 CG1 ILE A 88 -2.042 9.267 -12.145 1.00 5.13 C ATOM 1391 CG2 ILE A 88 -3.292 11.415 -12.605 1.00 13.12 C ATOM 1392 CD1 ILE A 88 -2.820 8.440 -13.146 1.00 64.21 C ATOM 0 H ILE A 88 -0.405 11.215 -11.798 1.00 64.03 H new ATOM 0 HA ILE A 88 -2.580 11.984 -10.032 1.00 20.15 H new ATOM 0 HB ILE A 88 -3.743 10.008 -11.067 1.00 42.15 H new ATOM 0 HG12 ILE A 88 -1.157 9.674 -12.635 1.00 5.13 H new ATOM 0 HG13 ILE A 88 -1.692 8.615 -11.345 1.00 5.13 H new ATOM 0 HG21 ILE A 88 -3.873 10.892 -13.364 1.00 13.12 H new ATOM 0 HG22 ILE A 88 -3.905 12.194 -12.152 1.00 13.12 H new ATOM 0 HG23 ILE A 88 -2.415 11.867 -13.067 1.00 13.12 H new ATOM 0 HD11 ILE A 88 -2.183 7.645 -13.535 1.00 64.21 H new ATOM 0 HD12 ILE A 88 -3.690 8.001 -12.658 1.00 64.21 H new ATOM 0 HD13 ILE A 88 -3.148 9.077 -13.968 1.00 64.21 H new ATOM 1404 N GLY A 89 -0.566 10.225 -8.683 1.00 14.25 N ATOM 1405 CA GLY A 89 -0.152 9.216 -7.717 1.00 41.33 C ATOM 1406 C GLY A 89 0.218 7.908 -8.404 1.00 75.25 C ATOM 1407 O GLY A 89 -0.134 6.822 -7.939 1.00 35.03 O ATOM 0 H GLY A 89 0.109 10.974 -8.836 1.00 14.25 H new ATOM 0 HA2 GLY A 89 0.702 9.584 -7.148 1.00 41.33 H new ATOM 0 HA3 GLY A 89 -0.958 9.039 -7.005 1.00 41.33 H new ATOM 1411 N LYS A 90 0.930 8.028 -9.523 1.00 55.43 N ATOM 1412 CA LYS A 90 1.263 6.879 -10.378 1.00 23.30 C ATOM 1413 C LYS A 90 2.591 6.219 -9.963 1.00 22.12 C ATOM 1414 O LYS A 90 3.648 6.850 -10.015 1.00 25.31 O ATOM 1415 CB LYS A 90 1.342 7.345 -11.838 1.00 33.13 C ATOM 1416 CG LYS A 90 1.641 6.236 -12.842 1.00 75.31 C ATOM 1417 CD LYS A 90 1.819 6.788 -14.256 1.00 4.41 C ATOM 1418 CE LYS A 90 0.618 7.620 -14.700 1.00 11.02 C ATOM 1419 NZ LYS A 90 0.804 8.187 -16.060 1.00 13.30 N ATOM 0 H LYS A 90 1.293 8.918 -9.865 1.00 55.43 H new ATOM 0 HA LYS A 90 0.479 6.130 -10.263 1.00 23.30 H new ATOM 0 HB2 LYS A 90 0.397 7.816 -12.107 1.00 33.13 H new ATOM 0 HB3 LYS A 90 2.114 8.110 -11.920 1.00 33.13 H new ATOM 0 HG2 LYS A 90 2.545 5.707 -12.541 1.00 75.31 H new ATOM 0 HG3 LYS A 90 0.829 5.509 -12.834 1.00 75.31 H new ATOM 0 HD2 LYS A 90 2.719 7.401 -14.295 1.00 4.41 H new ATOM 0 HD3 LYS A 90 1.965 5.962 -14.952 1.00 4.41 H new ATOM 0 HE2 LYS A 90 -0.278 6.999 -14.686 1.00 11.02 H new ATOM 0 HE3 LYS A 90 0.456 8.430 -13.989 1.00 11.02 H new ATOM 0 HZ1 LYS A 90 -0.034 8.744 -16.321 1.00 13.30 H new ATOM 0 HZ2 LYS A 90 1.644 8.800 -16.069 1.00 13.30 H new ATOM 0 HZ3 LYS A 90 0.933 7.414 -16.744 1.00 13.30 H new ATOM 1433 N ILE A 91 2.525 4.948 -9.562 1.00 64.13 N ATOM 1434 CA ILE A 91 3.715 4.190 -9.155 1.00 13.45 C ATOM 1435 C ILE A 91 3.991 3.035 -10.133 1.00 24.43 C ATOM 1436 O ILE A 91 3.097 2.244 -10.445 1.00 64.11 O ATOM 1437 CB ILE A 91 3.544 3.608 -7.728 1.00 75.13 C ATOM 1438 CG1 ILE A 91 3.216 4.729 -6.725 1.00 41.21 C ATOM 1439 CG2 ILE A 91 4.801 2.843 -7.298 1.00 21.53 C ATOM 1440 CD1 ILE A 91 2.951 4.230 -5.320 1.00 60.21 C ATOM 0 H ILE A 91 1.656 4.417 -9.510 1.00 64.13 H new ATOM 0 HA ILE A 91 4.557 4.883 -9.163 1.00 13.45 H new ATOM 0 HB ILE A 91 2.711 2.906 -7.742 1.00 75.13 H new ATOM 0 HG12 ILE A 91 4.045 5.436 -6.700 1.00 41.21 H new ATOM 0 HG13 ILE A 91 2.342 5.276 -7.078 1.00 41.21 H new ATOM 0 HG21 ILE A 91 4.658 2.444 -6.294 1.00 21.53 H new ATOM 0 HG22 ILE A 91 4.983 2.023 -7.992 1.00 21.53 H new ATOM 0 HG23 ILE A 91 5.657 3.518 -7.302 1.00 21.53 H new ATOM 0 HD11 ILE A 91 2.727 5.076 -4.670 1.00 60.21 H new ATOM 0 HD12 ILE A 91 2.102 3.546 -5.331 1.00 60.21 H new ATOM 0 HD13 ILE A 91 3.832 3.709 -4.947 1.00 60.21 H new ATOM 1452 N ALA A 92 5.227 2.937 -10.620 1.00 24.43 N ATOM 1453 CA ALA A 92 5.598 1.857 -11.540 1.00 32.42 C ATOM 1454 C ALA A 92 5.871 0.543 -10.789 1.00 61.32 C ATOM 1455 O ALA A 92 6.996 0.277 -10.357 1.00 10.32 O ATOM 1456 CB ALA A 92 6.810 2.258 -12.374 1.00 22.21 C ATOM 0 H ALA A 92 5.983 3.584 -10.397 1.00 24.43 H new ATOM 0 HA ALA A 92 4.753 1.687 -12.208 1.00 32.42 H new ATOM 0 HB1 ALA A 92 7.071 1.445 -13.051 1.00 22.21 H new ATOM 0 HB2 ALA A 92 6.574 3.151 -12.953 1.00 22.21 H new ATOM 0 HB3 ALA A 92 7.653 2.466 -11.715 1.00 22.21 H new ATOM 1462 N LEU A 93 4.839 -0.288 -10.659 1.00 61.30 N ATOM 1463 CA LEU A 93 4.944 -1.557 -9.930 1.00 40.45 C ATOM 1464 C LEU A 93 5.998 -2.479 -10.557 1.00 13.53 C ATOM 1465 O LEU A 93 6.660 -3.236 -9.859 1.00 70.02 O ATOM 1466 CB LEU A 93 3.581 -2.264 -9.889 1.00 54.43 C ATOM 1467 CG LEU A 93 2.469 -1.497 -9.153 1.00 31.04 C ATOM 1468 CD1 LEU A 93 1.159 -2.283 -9.174 1.00 34.53 C ATOM 1469 CD2 LEU A 93 2.889 -1.186 -7.717 1.00 72.21 C ATOM 0 H LEU A 93 3.915 -0.107 -11.050 1.00 61.30 H new ATOM 0 HA LEU A 93 5.259 -1.330 -8.912 1.00 40.45 H new ATOM 0 HB2 LEU A 93 3.256 -2.451 -10.912 1.00 54.43 H new ATOM 0 HB3 LEU A 93 3.708 -3.236 -9.412 1.00 54.43 H new ATOM 0 HG LEU A 93 2.306 -0.554 -9.674 1.00 31.04 H new ATOM 0 HD11 LEU A 93 0.388 -1.720 -8.647 1.00 34.53 H new ATOM 0 HD12 LEU A 93 0.848 -2.445 -10.206 1.00 34.53 H new ATOM 0 HD13 LEU A 93 1.304 -3.245 -8.683 1.00 34.53 H new ATOM 0 HD21 LEU A 93 2.089 -0.643 -7.213 1.00 72.21 H new ATOM 0 HD22 LEU A 93 3.086 -2.117 -7.186 1.00 72.21 H new ATOM 0 HD23 LEU A 93 3.792 -0.575 -7.726 1.00 72.21 H new ATOM 1481 N ARG A 94 6.163 -2.386 -11.873 1.00 13.15 N ATOM 1482 CA ARG A 94 7.148 -3.203 -12.601 1.00 54.24 C ATOM 1483 C ARG A 94 8.546 -3.175 -11.941 1.00 14.00 C ATOM 1484 O ARG A 94 9.290 -4.154 -12.007 1.00 34.30 O ATOM 1485 CB ARG A 94 7.243 -2.724 -14.058 1.00 73.43 C ATOM 1486 CG ARG A 94 7.679 -1.268 -14.205 1.00 52.14 C ATOM 1487 CD ARG A 94 7.701 -0.826 -15.664 1.00 3.31 C ATOM 1488 NE ARG A 94 8.545 -1.692 -16.486 1.00 55.24 N ATOM 1489 CZ ARG A 94 9.690 -1.340 -17.001 1.00 23.55 C ATOM 1490 NH1 ARG A 94 10.183 -0.162 -16.773 1.00 33.33 N ATOM 1491 NH2 ARG A 94 10.346 -2.177 -17.735 1.00 44.04 N ATOM 0 H ARG A 94 5.628 -1.752 -12.466 1.00 13.15 H new ATOM 0 HA ARG A 94 6.801 -4.236 -12.570 1.00 54.24 H new ATOM 0 HB2 ARG A 94 7.948 -3.360 -14.594 1.00 73.43 H new ATOM 0 HB3 ARG A 94 6.272 -2.852 -14.536 1.00 73.43 H new ATOM 0 HG2 ARG A 94 7.001 -0.627 -13.642 1.00 52.14 H new ATOM 0 HG3 ARG A 94 8.671 -1.141 -13.772 1.00 52.14 H new ATOM 0 HD2 ARG A 94 6.685 -0.829 -16.059 1.00 3.31 H new ATOM 0 HD3 ARG A 94 8.064 0.200 -15.727 1.00 3.31 H new ATOM 0 HE ARG A 94 8.214 -2.639 -16.670 1.00 55.24 H new ATOM 0 HH11 ARG A 94 9.674 0.499 -16.186 1.00 33.33 H new ATOM 0 HH12 ARG A 94 11.080 0.103 -17.181 1.00 33.33 H new ATOM 0 HH21 ARG A 94 9.968 -3.108 -17.909 1.00 44.04 H new ATOM 0 HH22 ARG A 94 11.242 -1.907 -18.140 1.00 44.04 H new ATOM 1505 N LYS A 95 8.904 -2.046 -11.322 1.00 11.45 N ATOM 1506 CA LYS A 95 10.208 -1.906 -10.652 1.00 41.23 C ATOM 1507 C LYS A 95 10.077 -1.742 -9.121 1.00 1.11 C ATOM 1508 O LYS A 95 11.064 -1.860 -8.388 1.00 31.24 O ATOM 1509 CB LYS A 95 10.984 -0.730 -11.269 1.00 75.31 C ATOM 1510 CG LYS A 95 10.250 0.608 -11.215 1.00 42.14 C ATOM 1511 CD LYS A 95 10.923 1.664 -12.095 1.00 50.41 C ATOM 1512 CE LYS A 95 12.358 1.960 -11.665 1.00 12.33 C ATOM 1513 NZ LYS A 95 12.425 2.578 -10.317 1.00 13.51 N ATOM 0 H LYS A 95 8.314 -1.216 -11.269 1.00 11.45 H new ATOM 0 HA LYS A 95 10.763 -2.830 -10.812 1.00 41.23 H new ATOM 0 HB2 LYS A 95 11.938 -0.628 -10.751 1.00 75.31 H new ATOM 0 HB3 LYS A 95 11.209 -0.965 -12.309 1.00 75.31 H new ATOM 0 HG2 LYS A 95 9.218 0.470 -11.539 1.00 42.14 H new ATOM 0 HG3 LYS A 95 10.216 0.962 -10.185 1.00 42.14 H new ATOM 0 HD2 LYS A 95 10.921 1.323 -13.130 1.00 50.41 H new ATOM 0 HD3 LYS A 95 10.340 2.585 -12.061 1.00 50.41 H new ATOM 0 HE2 LYS A 95 12.934 1.035 -11.667 1.00 12.33 H new ATOM 0 HE3 LYS A 95 12.823 2.627 -12.392 1.00 12.33 H new ATOM 0 HZ1 LYS A 95 12.906 3.498 -10.380 1.00 13.51 H new ATOM 0 HZ2 LYS A 95 11.462 2.715 -9.950 1.00 13.51 H new ATOM 0 HZ3 LYS A 95 12.955 1.954 -9.675 1.00 13.51 H new ATOM 1527 N TYR A 96 8.864 -1.467 -8.635 1.00 22.42 N ATOM 1528 CA TYR A 96 8.625 -1.311 -7.188 1.00 10.32 C ATOM 1529 C TYR A 96 7.836 -2.492 -6.604 1.00 75.23 C ATOM 1530 O TYR A 96 7.439 -2.469 -5.437 1.00 42.42 O ATOM 1531 CB TYR A 96 7.888 0.005 -6.907 1.00 24.31 C ATOM 1532 CG TYR A 96 8.730 1.229 -7.196 1.00 51.00 C ATOM 1533 CD1 TYR A 96 9.741 1.616 -6.323 1.00 30.00 C ATOM 1534 CD2 TYR A 96 8.525 1.991 -8.340 1.00 44.04 C ATOM 1535 CE1 TYR A 96 10.520 2.725 -6.581 1.00 51.23 C ATOM 1536 CE2 TYR A 96 9.300 3.101 -8.604 1.00 55.30 C ATOM 1537 CZ TYR A 96 10.295 3.463 -7.722 1.00 11.35 C ATOM 1538 OH TYR A 96 11.068 4.570 -7.984 1.00 12.10 O ATOM 0 H TYR A 96 8.033 -1.347 -9.214 1.00 22.42 H new ATOM 0 HA TYR A 96 9.599 -1.291 -6.699 1.00 10.32 H new ATOM 0 HB2 TYR A 96 6.982 0.043 -7.511 1.00 24.31 H new ATOM 0 HB3 TYR A 96 7.576 0.024 -5.863 1.00 24.31 H new ATOM 0 HD1 TYR A 96 9.919 1.039 -5.428 1.00 30.00 H new ATOM 0 HD2 TYR A 96 7.746 1.709 -9.033 1.00 44.04 H new ATOM 0 HE1 TYR A 96 11.301 3.013 -5.893 1.00 51.23 H new ATOM 0 HE2 TYR A 96 9.128 3.683 -9.497 1.00 55.30 H new ATOM 0 HH TYR A 96 10.952 4.836 -8.920 1.00 12.10 H new ATOM 1548 N LYS A 97 7.622 -3.519 -7.420 1.00 60.42 N ATOM 1549 CA LYS A 97 6.914 -4.731 -6.993 1.00 20.21 C ATOM 1550 C LYS A 97 7.630 -5.435 -5.833 1.00 22.14 C ATOM 1551 O LYS A 97 8.840 -5.673 -5.886 1.00 72.41 O ATOM 1552 CB LYS A 97 6.785 -5.707 -8.174 1.00 63.23 C ATOM 1553 CG LYS A 97 8.123 -6.031 -8.846 1.00 20.22 C ATOM 1554 CD LYS A 97 7.977 -7.036 -9.984 1.00 64.53 C ATOM 1555 CE LYS A 97 7.562 -8.412 -9.477 1.00 63.25 C ATOM 1556 NZ LYS A 97 7.408 -9.387 -10.586 1.00 10.30 N ATOM 0 H LYS A 97 7.931 -3.540 -8.392 1.00 60.42 H new ATOM 0 HA LYS A 97 5.926 -4.426 -6.647 1.00 20.21 H new ATOM 0 HB2 LYS A 97 6.330 -6.633 -7.822 1.00 63.23 H new ATOM 0 HB3 LYS A 97 6.109 -5.281 -8.915 1.00 63.23 H new ATOM 0 HG2 LYS A 97 8.564 -5.112 -9.232 1.00 20.22 H new ATOM 0 HG3 LYS A 97 8.813 -6.428 -8.101 1.00 20.22 H new ATOM 0 HD2 LYS A 97 7.236 -6.673 -10.696 1.00 64.53 H new ATOM 0 HD3 LYS A 97 8.922 -7.117 -10.521 1.00 64.53 H new ATOM 0 HE2 LYS A 97 8.308 -8.779 -8.772 1.00 63.25 H new ATOM 0 HE3 LYS A 97 6.621 -8.330 -8.932 1.00 63.25 H new ATOM 0 HZ1 LYS A 97 7.125 -10.310 -10.200 1.00 10.30 H new ATOM 0 HZ2 LYS A 97 6.679 -9.050 -11.246 1.00 10.30 H new ATOM 0 HZ3 LYS A 97 8.312 -9.485 -11.090 1.00 10.30 H new ATOM 1570 N TRP A 98 6.883 -5.761 -4.784 1.00 14.35 N ATOM 1571 CA TRP A 98 7.423 -6.558 -3.687 1.00 31.31 C ATOM 1572 C TRP A 98 7.539 -8.034 -4.098 1.00 31.01 C ATOM 1573 O TRP A 98 6.548 -8.669 -4.464 1.00 41.13 O ATOM 1574 CB TRP A 98 6.548 -6.428 -2.431 1.00 3.21 C ATOM 1575 CG TRP A 98 7.028 -7.273 -1.285 1.00 53.41 C ATOM 1576 CD1 TRP A 98 8.325 -7.511 -0.933 1.00 73.42 C ATOM 1577 CD2 TRP A 98 6.220 -7.988 -0.340 1.00 73.04 C ATOM 1578 NE1 TRP A 98 8.375 -8.333 0.163 1.00 63.12 N ATOM 1579 CE2 TRP A 98 7.097 -8.638 0.549 1.00 64.25 C ATOM 1580 CE3 TRP A 98 4.842 -8.142 -0.160 1.00 13.35 C ATOM 1581 CZ2 TRP A 98 6.641 -9.429 1.600 1.00 20.25 C ATOM 1582 CZ3 TRP A 98 4.391 -8.928 0.886 1.00 74.52 C ATOM 1583 CH2 TRP A 98 5.288 -9.562 1.754 1.00 43.11 C ATOM 0 H TRP A 98 5.907 -5.488 -4.669 1.00 14.35 H new ATOM 0 HA TRP A 98 8.418 -6.178 -3.455 1.00 31.31 H new ATOM 0 HB2 TRP A 98 6.524 -5.384 -2.119 1.00 3.21 H new ATOM 0 HB3 TRP A 98 5.525 -6.710 -2.678 1.00 3.21 H new ATOM 0 HD1 TRP A 98 9.188 -7.110 -1.444 1.00 73.42 H new ATOM 0 HE1 TRP A 98 9.226 -8.664 0.617 1.00 63.12 H new ATOM 0 HE3 TRP A 98 4.143 -7.657 -0.825 1.00 13.35 H new ATOM 0 HZ2 TRP A 98 7.331 -9.920 2.270 1.00 20.25 H new ATOM 0 HZ3 TRP A 98 3.329 -9.054 1.035 1.00 74.52 H new ATOM 0 HH2 TRP A 98 4.904 -10.168 2.561 1.00 43.11 H new ATOM 1594 N GLN A 99 8.758 -8.563 -4.047 1.00 64.33 N ATOM 1595 CA GLN A 99 9.023 -9.962 -4.392 1.00 32.42 C ATOM 1596 C GLN A 99 9.285 -10.800 -3.123 1.00 41.40 C ATOM 1597 O GLN A 99 10.394 -10.804 -2.585 1.00 74.41 O ATOM 1598 CB GLN A 99 10.223 -10.034 -5.349 1.00 74.03 C ATOM 1599 CG GLN A 99 10.621 -11.447 -5.763 1.00 30.11 C ATOM 1600 CD GLN A 99 11.742 -11.465 -6.791 1.00 43.21 C ATOM 1601 OE1 GLN A 99 12.577 -10.566 -6.843 1.00 73.12 O ATOM 1602 NE2 GLN A 99 11.773 -12.487 -7.613 1.00 45.13 N ATOM 0 H GLN A 99 9.588 -8.040 -3.767 1.00 64.33 H new ATOM 0 HA GLN A 99 8.146 -10.378 -4.888 1.00 32.42 H new ATOM 0 HB2 GLN A 99 9.991 -9.459 -6.245 1.00 74.03 H new ATOM 0 HB3 GLN A 99 11.079 -9.554 -4.874 1.00 74.03 H new ATOM 0 HG2 GLN A 99 10.934 -12.005 -4.881 1.00 30.11 H new ATOM 0 HG3 GLN A 99 9.751 -11.960 -6.172 1.00 30.11 H new ATOM 0 HE21 GLN A 99 11.065 -13.218 -7.545 1.00 45.13 H new ATOM 0 HE22 GLN A 99 12.505 -12.551 -8.320 1.00 45.13 H new ATOM 1611 N PRO A 100 8.256 -11.506 -2.609 1.00 65.23 N ATOM 1612 CA PRO A 100 8.380 -12.326 -1.387 1.00 31.41 C ATOM 1613 C PRO A 100 9.278 -13.561 -1.577 1.00 74.43 C ATOM 1614 O PRO A 100 9.796 -14.119 -0.608 1.00 61.31 O ATOM 1615 CB PRO A 100 6.929 -12.755 -1.085 1.00 70.31 C ATOM 1616 CG PRO A 100 6.071 -11.867 -1.929 1.00 41.33 C ATOM 1617 CD PRO A 100 6.888 -11.546 -3.147 1.00 63.42 C ATOM 0 HA PRO A 100 8.851 -11.765 -0.580 1.00 31.41 H new ATOM 0 HB2 PRO A 100 6.770 -13.805 -1.331 1.00 70.31 H new ATOM 0 HB3 PRO A 100 6.696 -12.637 -0.027 1.00 70.31 H new ATOM 0 HG2 PRO A 100 5.141 -12.366 -2.202 1.00 41.33 H new ATOM 0 HG3 PRO A 100 5.799 -10.959 -1.390 1.00 41.33 H new ATOM 0 HD2 PRO A 100 6.778 -12.305 -3.921 1.00 63.42 H new ATOM 0 HD3 PRO A 100 6.598 -10.594 -3.591 1.00 63.42 H new ATOM 1625 N LEU A 101 9.463 -13.981 -2.828 1.00 2.50 N ATOM 1626 CA LEU A 101 10.270 -15.168 -3.139 1.00 20.33 C ATOM 1627 C LEU A 101 11.295 -14.872 -4.248 1.00 53.10 C ATOM 1628 O LEU A 101 10.939 -14.688 -5.412 1.00 21.50 O ATOM 1629 CB LEU A 101 9.378 -16.368 -3.534 1.00 70.33 C ATOM 1630 CG LEU A 101 8.431 -16.164 -4.739 1.00 60.04 C ATOM 1631 CD1 LEU A 101 7.930 -17.508 -5.260 1.00 22.21 C ATOM 1632 CD2 LEU A 101 7.241 -15.274 -4.372 1.00 21.44 C ATOM 0 H LEU A 101 9.066 -13.519 -3.646 1.00 2.50 H new ATOM 0 HA LEU A 101 10.815 -15.434 -2.233 1.00 20.33 H new ATOM 0 HB2 LEU A 101 10.027 -17.217 -3.751 1.00 70.33 H new ATOM 0 HB3 LEU A 101 8.774 -16.642 -2.669 1.00 70.33 H new ATOM 0 HG LEU A 101 9.001 -15.665 -5.523 1.00 60.04 H new ATOM 0 HD11 LEU A 101 7.265 -17.344 -6.108 1.00 22.21 H new ATOM 0 HD12 LEU A 101 8.778 -18.115 -5.576 1.00 22.21 H new ATOM 0 HD13 LEU A 101 7.388 -18.026 -4.469 1.00 22.21 H new ATOM 0 HD21 LEU A 101 6.596 -15.152 -5.242 1.00 21.44 H new ATOM 0 HD22 LEU A 101 6.676 -15.738 -3.564 1.00 21.44 H new ATOM 0 HD23 LEU A 101 7.603 -14.298 -4.049 1.00 21.44 H new ATOM 1644 N GLU A 102 12.569 -14.814 -3.872 1.00 63.33 N ATOM 1645 CA GLU A 102 13.658 -14.562 -4.830 1.00 22.24 C ATOM 1646 C GLU A 102 14.365 -15.870 -5.235 1.00 3.54 C ATOM 1647 O GLU A 102 15.010 -16.497 -4.362 1.00 38.87 O ATOM 1648 CB GLU A 102 14.675 -13.578 -4.235 1.00 31.24 C ATOM 1649 CG GLU A 102 14.083 -12.216 -3.883 1.00 53.23 C ATOM 1650 CD GLU A 102 15.126 -11.227 -3.382 1.00 21.14 C ATOM 1651 OE1 GLU A 102 15.393 -11.201 -2.163 1.00 72.23 O ATOM 1652 OE2 GLU A 102 15.674 -10.461 -4.206 1.00 3.22 O ATOM 0 H GLU A 102 12.881 -14.938 -2.909 1.00 63.33 H new ATOM 0 HA GLU A 102 13.217 -14.124 -5.726 1.00 22.24 H new ATOM 0 HB2 GLU A 102 15.109 -14.018 -3.337 1.00 31.24 H new ATOM 0 HB3 GLU A 102 15.489 -13.437 -4.946 1.00 31.24 H new ATOM 0 HG2 GLU A 102 13.590 -11.802 -4.762 1.00 53.23 H new ATOM 0 HG3 GLU A 102 13.316 -12.345 -3.119 1.00 53.23 H new TER 1659 GLU A 102