USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 971 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 90 GLN : amide:sc= -0.0269 X(o=-0.85,f=-1.3) USER MOD Set 1.2: A 93 MET CE :methyl 146:sc= -0.827 (180deg=-2.55!) USER MOD Set 2.1: A 61 ASN :FLIP amide:sc= -0.819! C(o=-2.5!,f=0.28!) USER MOD Set 2.2: A 66 THR OG1 : rot 169:sc= 1.1 USER MOD Set 3.1: A 15 CYS SG : rot 110:sc= 0.255 USER MOD Set 3.2: A 17 THR OG1 : rot 93:sc= 0.907 USER MOD Set 4.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 33 THR OG1 : rot 74:sc= 0.965 USER MOD Single : A 1 GLY N :NH3+ -140:sc= -0.0261 (180deg=-0.685) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.18) USER MOD Single : A 18 MET CE :methyl 163:sc= -0.159 (180deg=-0.442) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0971) USER MOD Single : A 28 HIS : no HD1:sc= 0.501 K(o=0.5,f=-4.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -2.27 X(o=-2.3,f=-2.2) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 41:sc= 1.09 USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= -0.0133 (180deg=-0.692) USER MOD Single : A 53 THR OG1 : rot -79:sc= 0.77 USER MOD Single : A 58 GLN : amide:sc= -0.215 K(o=-0.21,f=-2.3!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.31) USER MOD Single : A 82 SER OG : rot 180:sc= 0.142 USER MOD Single : A 87 MET CE :methyl -115:sc= -2.25 (180deg=-6.38!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= -0.947 (180deg=-0.948) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= -0.0244 (180deg=-0.243) USER MOD Single : A 113 GLN : amide:sc= -0.0063 X(o=-0.0063,f=-0.018) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.987 -9.308 -8.169 1.00 42.31 N ATOM 2 CA GLY A 1 9.003 -8.290 -9.203 1.00 53.12 C ATOM 3 C GLY A 1 7.844 -7.322 -9.081 1.00 15.32 C ATOM 4 O GLY A 1 6.885 -7.368 -9.853 1.00 30.13 O ATOM 0 H1 GLY A 1 9.957 -9.482 -7.838 1.00 42.31 H new ATOM 0 H2 GLY A 1 8.402 -8.985 -7.372 1.00 42.31 H new ATOM 0 H3 GLY A 1 8.590 -10.189 -8.555 1.00 42.31 H new ATOM 0 HA2 GLY A 1 9.941 -7.737 -9.150 1.00 53.12 H new ATOM 0 HA3 GLY A 1 8.970 -8.770 -10.181 1.00 53.12 H new ATOM 8 N PRO A 2 7.921 -6.421 -8.090 1.00 31.21 N ATOM 9 CA PRO A 2 6.877 -5.421 -7.846 1.00 52.14 C ATOM 10 C PRO A 2 6.825 -4.360 -8.939 1.00 61.23 C ATOM 11 O PRO A 2 7.848 -4.003 -9.521 1.00 11.13 O ATOM 12 CB PRO A 2 7.292 -4.795 -6.512 1.00 12.20 C ATOM 13 CG PRO A 2 8.765 -5.004 -6.436 1.00 2.10 C ATOM 14 CD PRO A 2 9.034 -6.309 -7.132 1.00 41.33 C ATOM 0 HA PRO A 2 5.881 -5.865 -7.833 1.00 52.14 H new ATOM 0 HB2 PRO A 2 7.040 -3.735 -6.477 1.00 12.20 H new ATOM 0 HB3 PRO A 2 6.781 -5.272 -5.675 1.00 12.20 H new ATOM 0 HG2 PRO A 2 9.301 -4.187 -6.919 1.00 2.10 H new ATOM 0 HG3 PRO A 2 9.102 -5.038 -5.400 1.00 2.10 H new ATOM 0 HD2 PRO A 2 10.000 -6.303 -7.637 1.00 41.33 H new ATOM 0 HD3 PRO A 2 9.046 -7.143 -6.431 1.00 41.33 H new ATOM 22 N GLY A 3 5.625 -3.858 -9.214 1.00 13.22 N ATOM 23 CA GLY A 3 5.461 -2.841 -10.237 1.00 45.42 C ATOM 24 C GLY A 3 4.329 -1.883 -9.925 1.00 62.35 C ATOM 25 O GLY A 3 3.192 -2.097 -10.343 1.00 22.31 O ATOM 0 H GLY A 3 4.763 -4.138 -8.746 1.00 13.22 H new ATOM 0 HA2 GLY A 3 6.390 -2.280 -10.340 1.00 45.42 H new ATOM 0 HA3 GLY A 3 5.272 -3.322 -11.196 1.00 45.42 H new ATOM 29 N SER A 4 4.641 -0.821 -9.187 1.00 25.24 N ATOM 30 CA SER A 4 3.640 0.172 -8.816 1.00 42.22 C ATOM 31 C SER A 4 3.190 0.972 -10.034 1.00 24.33 C ATOM 32 O SER A 4 2.008 1.279 -10.187 1.00 52.03 O ATOM 33 CB SER A 4 4.200 1.116 -7.750 1.00 72.23 C ATOM 34 OG SER A 4 4.401 0.437 -6.522 1.00 52.43 O ATOM 0 H SER A 4 5.578 -0.627 -8.835 1.00 25.24 H new ATOM 0 HA SER A 4 2.776 -0.353 -8.409 1.00 42.22 H new ATOM 0 HB2 SER A 4 5.144 1.539 -8.094 1.00 72.23 H new ATOM 0 HB3 SER A 4 3.513 1.949 -7.600 1.00 72.23 H new ATOM 0 HG SER A 4 4.761 1.061 -5.858 1.00 52.43 H new ATOM 40 N MET A 5 4.142 1.307 -10.899 1.00 41.54 N ATOM 41 CA MET A 5 3.844 2.071 -12.106 1.00 62.03 C ATOM 42 C MET A 5 2.866 1.315 -13.000 1.00 45.23 C ATOM 43 O MET A 5 2.700 0.102 -12.868 1.00 4.24 O ATOM 44 CB MET A 5 5.130 2.370 -12.877 1.00 51.55 C ATOM 45 CG MET A 5 5.795 3.674 -12.467 1.00 30.02 C ATOM 46 SD MET A 5 5.179 5.090 -13.396 1.00 52.10 S ATOM 47 CE MET A 5 6.673 6.063 -13.563 1.00 3.41 C ATOM 0 H MET A 5 5.126 1.062 -10.787 1.00 41.54 H new ATOM 0 HA MET A 5 3.382 3.012 -11.805 1.00 62.03 H new ATOM 0 HB2 MET A 5 5.833 1.550 -12.727 1.00 51.55 H new ATOM 0 HB3 MET A 5 4.905 2.406 -13.943 1.00 51.55 H new ATOM 0 HG2 MET A 5 5.630 3.843 -11.403 1.00 30.02 H new ATOM 0 HG3 MET A 5 6.872 3.590 -12.613 1.00 30.02 H new ATOM 0 HE1 MET A 5 6.453 6.975 -14.118 1.00 3.41 H new ATOM 0 HE2 MET A 5 7.051 6.322 -12.574 1.00 3.41 H new ATOM 0 HE3 MET A 5 7.426 5.485 -14.099 1.00 3.41 H new ATOM 57 N SER A 6 2.221 2.040 -13.907 1.00 44.34 N ATOM 58 CA SER A 6 1.255 1.438 -14.821 1.00 64.43 C ATOM 59 C SER A 6 1.956 0.852 -16.042 1.00 62.14 C ATOM 60 O SER A 6 2.909 1.431 -16.563 1.00 73.31 O ATOM 61 CB SER A 6 0.221 2.475 -15.260 1.00 31.11 C ATOM 62 OG SER A 6 0.678 3.206 -16.385 1.00 14.24 O ATOM 0 H SER A 6 2.349 3.045 -14.030 1.00 44.34 H new ATOM 0 HA SER A 6 0.747 0.631 -14.294 1.00 64.43 H new ATOM 0 HB2 SER A 6 -0.718 1.977 -15.503 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.015 3.159 -14.437 1.00 31.11 H new ATOM 0 HG SER A 6 -0.002 3.861 -16.647 1.00 14.24 H new ATOM 68 N VAL A 7 1.476 -0.301 -16.496 1.00 10.34 N ATOM 69 CA VAL A 7 2.053 -0.967 -17.657 1.00 2.44 C ATOM 70 C VAL A 7 0.999 -1.216 -18.729 1.00 5.32 C ATOM 71 O VAL A 7 -0.163 -1.487 -18.423 1.00 24.25 O ATOM 72 CB VAL A 7 2.703 -2.308 -17.270 1.00 52.12 C ATOM 73 CG1 VAL A 7 3.316 -2.977 -18.491 1.00 54.24 C ATOM 74 CG2 VAL A 7 3.750 -2.100 -16.185 1.00 43.52 C ATOM 0 H VAL A 7 0.688 -0.794 -16.077 1.00 10.34 H new ATOM 0 HA VAL A 7 2.820 -0.302 -18.054 1.00 2.44 H new ATOM 0 HB VAL A 7 1.929 -2.966 -16.875 1.00 52.12 H new ATOM 0 HG11 VAL A 7 3.771 -3.923 -18.198 1.00 54.24 H new ATOM 0 HG12 VAL A 7 2.539 -3.162 -19.233 1.00 54.24 H new ATOM 0 HG13 VAL A 7 4.078 -2.326 -18.919 1.00 54.24 H new ATOM 0 HG21 VAL A 7 4.199 -3.058 -15.924 1.00 43.52 H new ATOM 0 HG22 VAL A 7 4.523 -1.425 -16.550 1.00 43.52 H new ATOM 0 HG23 VAL A 7 3.278 -1.668 -15.302 1.00 43.52 H new ATOM 84 N THR A 8 1.411 -1.125 -19.990 1.00 15.13 N ATOM 85 CA THR A 8 0.502 -1.340 -21.109 1.00 55.12 C ATOM 86 C THR A 8 0.809 -2.652 -21.822 1.00 32.31 C ATOM 87 O THR A 8 1.943 -2.893 -22.236 1.00 11.22 O ATOM 88 CB THR A 8 0.579 -0.186 -22.126 1.00 32.32 C ATOM 89 OG1 THR A 8 0.467 1.072 -21.449 1.00 2.03 O ATOM 90 CG2 THR A 8 -0.523 -0.307 -23.167 1.00 55.11 C ATOM 0 H THR A 8 2.369 -0.904 -20.262 1.00 15.13 H new ATOM 0 HA THR A 8 -0.505 -1.382 -20.694 1.00 55.12 H new ATOM 0 HB THR A 8 1.543 -0.241 -22.632 1.00 32.32 H new ATOM 0 HG1 THR A 8 0.519 1.801 -22.102 1.00 2.03 H new ATOM 0 HG21 THR A 8 -0.448 0.519 -23.874 1.00 55.11 H new ATOM 0 HG22 THR A 8 -0.418 -1.252 -23.700 1.00 55.11 H new ATOM 0 HG23 THR A 8 -1.495 -0.275 -22.674 1.00 55.11 H new ATOM 98 N ILE A 9 -0.208 -3.496 -21.962 1.00 40.31 N ATOM 99 CA ILE A 9 -0.046 -4.782 -22.628 1.00 3.44 C ATOM 100 C ILE A 9 -0.861 -4.842 -23.915 1.00 62.44 C ATOM 101 O ILE A 9 -2.008 -4.396 -23.957 1.00 5.32 O ATOM 102 CB ILE A 9 -0.467 -5.946 -21.712 1.00 0.54 C ATOM 103 CG1 ILE A 9 -0.324 -7.280 -22.448 1.00 33.21 C ATOM 104 CG2 ILE A 9 -1.898 -5.752 -21.233 1.00 54.44 C ATOM 105 CD1 ILE A 9 -0.702 -8.479 -21.606 1.00 32.30 C ATOM 0 H ILE A 9 -1.152 -3.312 -21.623 1.00 40.31 H new ATOM 0 HA ILE A 9 1.013 -4.882 -22.867 1.00 3.44 H new ATOM 0 HB ILE A 9 0.189 -5.959 -20.842 1.00 0.54 H new ATOM 0 HG12 ILE A 9 -0.949 -7.262 -23.341 1.00 33.21 H new ATOM 0 HG13 ILE A 9 0.707 -7.392 -22.783 1.00 33.21 H new ATOM 0 HG21 ILE A 9 -2.181 -6.583 -20.587 1.00 54.44 H new ATOM 0 HG22 ILE A 9 -1.972 -4.818 -20.677 1.00 54.44 H new ATOM 0 HG23 ILE A 9 -2.568 -5.716 -22.092 1.00 54.44 H new ATOM 0 HD11 ILE A 9 -0.576 -9.389 -22.192 1.00 32.30 H new ATOM 0 HD12 ILE A 9 -0.060 -8.522 -20.726 1.00 32.30 H new ATOM 0 HD13 ILE A 9 -1.742 -8.390 -21.293 1.00 32.30 H new ATOM 117 N TYR A 10 -0.262 -5.397 -24.963 1.00 4.54 N ATOM 118 CA TYR A 10 -0.932 -5.515 -26.253 1.00 30.24 C ATOM 119 C TYR A 10 -1.198 -6.977 -26.597 1.00 22.21 C ATOM 120 O TYR A 10 -0.447 -7.867 -26.199 1.00 41.11 O ATOM 121 CB TYR A 10 -0.087 -4.865 -27.351 1.00 22.32 C ATOM 122 CG TYR A 10 0.129 -3.382 -27.152 1.00 34.41 C ATOM 123 CD1 TYR A 10 1.025 -2.914 -26.199 1.00 54.11 C ATOM 124 CD2 TYR A 10 -0.563 -2.451 -27.916 1.00 15.21 C ATOM 125 CE1 TYR A 10 1.226 -1.559 -26.014 1.00 20.31 C ATOM 126 CE2 TYR A 10 -0.367 -1.095 -27.739 1.00 22.30 C ATOM 127 CZ TYR A 10 0.528 -0.654 -26.786 1.00 60.44 C ATOM 128 OH TYR A 10 0.724 0.696 -26.604 1.00 41.33 O ATOM 0 H TYR A 10 0.686 -5.772 -24.945 1.00 4.54 H new ATOM 0 HA TYR A 10 -1.889 -4.997 -26.186 1.00 30.24 H new ATOM 0 HB2 TYR A 10 0.882 -5.362 -27.394 1.00 22.32 H new ATOM 0 HB3 TYR A 10 -0.571 -5.027 -28.314 1.00 22.32 H new ATOM 0 HD1 TYR A 10 1.573 -3.620 -25.593 1.00 54.11 H new ATOM 0 HD2 TYR A 10 -1.266 -2.793 -28.661 1.00 15.21 H new ATOM 0 HE1 TYR A 10 1.926 -1.211 -25.269 1.00 20.31 H new ATOM 0 HE2 TYR A 10 -0.911 -0.384 -28.343 1.00 22.30 H new ATOM 0 HH TYR A 10 0.157 1.196 -27.228 1.00 41.33 H new ATOM 138 N GLY A 11 -2.274 -7.216 -27.341 1.00 41.24 N ATOM 139 CA GLY A 11 -2.621 -8.572 -27.728 1.00 3.41 C ATOM 140 C GLY A 11 -3.795 -8.618 -28.687 1.00 42.14 C ATOM 141 O GLY A 11 -4.137 -7.612 -29.307 1.00 61.14 O ATOM 0 H GLY A 11 -2.911 -6.496 -27.682 1.00 41.24 H new ATOM 0 HA2 GLY A 11 -1.757 -9.046 -28.193 1.00 3.41 H new ATOM 0 HA3 GLY A 11 -2.861 -9.151 -26.836 1.00 3.41 H new ATOM 145 N ILE A 12 -4.410 -9.789 -28.810 1.00 0.23 N ATOM 146 CA ILE A 12 -5.551 -9.963 -29.700 1.00 21.20 C ATOM 147 C ILE A 12 -6.564 -10.937 -29.111 1.00 0.25 C ATOM 148 O ILE A 12 -6.197 -11.914 -28.459 1.00 72.24 O ATOM 149 CB ILE A 12 -5.111 -10.472 -31.085 1.00 70.51 C ATOM 150 CG1 ILE A 12 -4.468 -11.855 -30.965 1.00 34.24 C ATOM 151 CG2 ILE A 12 -4.146 -9.487 -31.729 1.00 63.31 C ATOM 152 CD1 ILE A 12 -4.132 -12.484 -32.299 1.00 42.40 C ATOM 0 H ILE A 12 -4.137 -10.632 -28.304 1.00 0.23 H new ATOM 0 HA ILE A 12 -6.016 -8.984 -29.813 1.00 21.20 H new ATOM 0 HB ILE A 12 -5.992 -10.557 -31.721 1.00 70.51 H new ATOM 0 HG12 ILE A 12 -3.557 -11.773 -30.372 1.00 34.24 H new ATOM 0 HG13 ILE A 12 -5.144 -12.515 -30.421 1.00 34.24 H new ATOM 0 HG21 ILE A 12 -3.844 -9.861 -32.707 1.00 63.31 H new ATOM 0 HG22 ILE A 12 -4.636 -8.520 -31.845 1.00 63.31 H new ATOM 0 HG23 ILE A 12 -3.266 -9.374 -31.096 1.00 63.31 H new ATOM 0 HD11 ILE A 12 -3.680 -13.462 -32.136 1.00 42.40 H new ATOM 0 HD12 ILE A 12 -5.043 -12.599 -32.887 1.00 42.40 H new ATOM 0 HD13 ILE A 12 -3.431 -11.845 -32.836 1.00 42.40 H new ATOM 164 N LYS A 13 -7.844 -10.666 -29.347 1.00 73.52 N ATOM 165 CA LYS A 13 -8.913 -11.520 -28.844 1.00 71.53 C ATOM 166 C LYS A 13 -9.005 -12.810 -29.651 1.00 42.41 C ATOM 167 O LYS A 13 -9.701 -13.747 -29.265 1.00 70.40 O ATOM 168 CB LYS A 13 -10.251 -10.778 -28.893 1.00 10.01 C ATOM 169 CG LYS A 13 -11.343 -11.440 -28.070 1.00 12.21 C ATOM 170 CD LYS A 13 -11.026 -11.393 -26.584 1.00 11.45 C ATOM 171 CE LYS A 13 -12.284 -11.547 -25.741 1.00 71.10 C ATOM 172 NZ LYS A 13 -12.146 -10.887 -24.413 1.00 71.14 N ATOM 0 H LYS A 13 -8.166 -9.861 -29.884 1.00 73.52 H new ATOM 0 HA LYS A 13 -8.684 -11.776 -27.810 1.00 71.53 H new ATOM 0 HB2 LYS A 13 -10.105 -9.759 -28.535 1.00 10.01 H new ATOM 0 HB3 LYS A 13 -10.581 -10.708 -29.930 1.00 10.01 H new ATOM 0 HG2 LYS A 13 -12.294 -10.941 -28.256 1.00 12.21 H new ATOM 0 HG3 LYS A 13 -11.460 -12.477 -28.386 1.00 12.21 H new ATOM 0 HD2 LYS A 13 -10.321 -12.186 -26.336 1.00 11.45 H new ATOM 0 HD3 LYS A 13 -10.539 -10.448 -26.344 1.00 11.45 H new ATOM 0 HE2 LYS A 13 -13.133 -11.118 -26.273 1.00 71.10 H new ATOM 0 HE3 LYS A 13 -12.499 -12.606 -25.600 1.00 71.10 H new ATOM 0 HZ1 LYS A 13 -13.023 -11.014 -23.869 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 -11.352 -11.314 -23.894 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 -11.966 -9.871 -24.547 1.00 71.14 H new ATOM 186 N ASN A 14 -8.296 -12.851 -30.775 1.00 14.55 N ATOM 187 CA ASN A 14 -8.297 -14.028 -31.637 1.00 43.33 C ATOM 188 C ASN A 14 -7.124 -14.946 -31.306 1.00 4.54 C ATOM 189 O ASN A 14 -6.502 -15.522 -32.199 1.00 13.15 O ATOM 190 CB ASN A 14 -8.233 -13.609 -33.106 1.00 12.44 C ATOM 191 CG ASN A 14 -8.720 -14.700 -34.041 1.00 1.15 C ATOM 192 OD1 ASN A 14 -7.922 -15.400 -34.664 1.00 11.24 O ATOM 193 ND2 ASN A 14 -10.035 -14.848 -34.141 1.00 4.23 N ATOM 0 H ASN A 14 -7.714 -12.083 -31.110 1.00 14.55 H new ATOM 0 HA ASN A 14 -9.223 -14.575 -31.462 1.00 43.33 H new ATOM 0 HB2 ASN A 14 -8.837 -12.713 -33.252 1.00 12.44 H new ATOM 0 HB3 ASN A 14 -7.206 -13.347 -33.362 1.00 12.44 H new ATOM 0 HD21 ASN A 14 -10.422 -15.566 -34.754 1.00 4.23 H new ATOM 0 HD22 ASN A 14 -10.658 -14.244 -33.605 1.00 4.23 H new ATOM 200 N CYS A 15 -6.829 -15.078 -30.018 1.00 13.42 N ATOM 201 CA CYS A 15 -5.730 -15.926 -29.568 1.00 5.12 C ATOM 202 C CYS A 15 -5.934 -16.357 -28.119 1.00 45.42 C ATOM 203 O CYS A 15 -6.048 -15.520 -27.222 1.00 62.11 O ATOM 204 CB CYS A 15 -4.398 -15.189 -29.712 1.00 22.14 C ATOM 205 SG CYS A 15 -2.969 -16.126 -29.121 1.00 2.24 S ATOM 0 H CYS A 15 -7.335 -14.609 -29.267 1.00 13.42 H new ATOM 0 HA CYS A 15 -5.712 -16.818 -30.194 1.00 5.12 H new ATOM 0 HB2 CYS A 15 -4.246 -14.938 -30.762 1.00 22.14 H new ATOM 0 HB3 CYS A 15 -4.454 -14.248 -29.164 1.00 22.14 H new ATOM 0 HG CYS A 15 -2.238 -16.487 -30.134 1.00 2.24 H new ATOM 211 N ASP A 16 -5.979 -17.666 -27.897 1.00 14.03 N ATOM 212 CA ASP A 16 -6.171 -18.208 -26.558 1.00 11.23 C ATOM 213 C ASP A 16 -5.095 -17.695 -25.605 1.00 34.34 C ATOM 214 O ASP A 16 -5.368 -17.410 -24.439 1.00 45.12 O ATOM 215 CB ASP A 16 -6.147 -19.738 -26.595 1.00 50.21 C ATOM 216 CG ASP A 16 -5.056 -20.277 -27.499 1.00 54.43 C ATOM 217 OD1 ASP A 16 -3.916 -20.445 -27.018 1.00 34.14 O ATOM 218 OD2 ASP A 16 -5.343 -20.533 -28.687 1.00 34.04 O ATOM 0 H ASP A 16 -5.885 -18.371 -28.628 1.00 14.03 H new ATOM 0 HA ASP A 16 -7.143 -17.875 -26.195 1.00 11.23 H new ATOM 0 HB2 ASP A 16 -6.000 -20.121 -25.585 1.00 50.21 H new ATOM 0 HB3 ASP A 16 -7.114 -20.106 -26.938 1.00 50.21 H new ATOM 223 N THR A 17 -3.871 -17.579 -26.110 1.00 62.21 N ATOM 224 CA THR A 17 -2.754 -17.102 -25.304 1.00 10.24 C ATOM 225 C THR A 17 -3.095 -15.785 -24.616 1.00 43.54 C ATOM 226 O THR A 17 -2.786 -15.589 -23.441 1.00 32.13 O ATOM 227 CB THR A 17 -1.487 -16.907 -26.159 1.00 64.53 C ATOM 228 OG1 THR A 17 -1.362 -17.980 -27.099 1.00 51.14 O ATOM 229 CG2 THR A 17 -0.246 -16.847 -25.281 1.00 13.05 C ATOM 0 H THR A 17 -3.628 -17.809 -27.074 1.00 62.21 H new ATOM 0 HA THR A 17 -2.561 -17.864 -24.549 1.00 10.24 H new ATOM 0 HB THR A 17 -1.578 -15.963 -26.696 1.00 64.53 H new ATOM 0 HG1 THR A 17 -1.784 -17.724 -27.946 1.00 51.14 H new ATOM 0 HG21 THR A 17 0.636 -16.709 -25.907 1.00 13.05 H new ATOM 0 HG22 THR A 17 -0.332 -16.012 -24.586 1.00 13.05 H new ATOM 0 HG23 THR A 17 -0.151 -17.777 -24.721 1.00 13.05 H new ATOM 237 N MET A 18 -3.736 -14.886 -25.355 1.00 61.22 N ATOM 238 CA MET A 18 -4.122 -13.587 -24.813 1.00 4.42 C ATOM 239 C MET A 18 -4.893 -13.750 -23.508 1.00 72.34 C ATOM 240 O MET A 18 -4.549 -13.145 -22.492 1.00 54.40 O ATOM 241 CB MET A 18 -4.972 -12.819 -25.828 1.00 41.43 C ATOM 242 CG MET A 18 -4.708 -11.323 -25.832 1.00 42.31 C ATOM 243 SD MET A 18 -5.142 -10.537 -24.268 1.00 61.21 S ATOM 244 CE MET A 18 -3.560 -9.849 -23.785 1.00 35.43 C ATOM 0 H MET A 18 -3.999 -15.032 -26.330 1.00 61.22 H new ATOM 0 HA MET A 18 -3.213 -13.022 -24.609 1.00 4.42 H new ATOM 0 HB2 MET A 18 -4.780 -13.216 -26.825 1.00 41.43 H new ATOM 0 HB3 MET A 18 -6.026 -12.993 -25.613 1.00 41.43 H new ATOM 0 HG2 MET A 18 -3.654 -11.145 -26.044 1.00 42.31 H new ATOM 0 HG3 MET A 18 -5.278 -10.860 -26.637 1.00 42.31 H new ATOM 0 HE1 MET A 18 -3.712 -9.092 -23.016 1.00 35.43 H new ATOM 0 HE2 MET A 18 -2.923 -10.642 -23.393 1.00 35.43 H new ATOM 0 HE3 MET A 18 -3.081 -9.395 -24.652 1.00 35.43 H new ATOM 254 N LYS A 19 -5.938 -14.571 -23.541 1.00 34.45 N ATOM 255 CA LYS A 19 -6.758 -14.814 -22.360 1.00 44.21 C ATOM 256 C LYS A 19 -5.894 -15.235 -21.175 1.00 43.12 C ATOM 257 O LYS A 19 -5.994 -14.667 -20.088 1.00 22.52 O ATOM 258 CB LYS A 19 -7.802 -15.893 -22.653 1.00 42.21 C ATOM 259 CG LYS A 19 -9.031 -15.808 -21.764 1.00 0.44 C ATOM 260 CD LYS A 19 -9.681 -17.168 -21.580 1.00 30.12 C ATOM 261 CE LYS A 19 -10.411 -17.613 -22.838 1.00 54.50 C ATOM 262 NZ LYS A 19 -11.109 -18.914 -22.644 1.00 12.14 N ATOM 0 H LYS A 19 -6.237 -15.079 -24.373 1.00 34.45 H new ATOM 0 HA LYS A 19 -7.267 -13.885 -22.104 1.00 44.21 H new ATOM 0 HB2 LYS A 19 -8.112 -15.814 -23.695 1.00 42.21 H new ATOM 0 HB3 LYS A 19 -7.343 -16.874 -22.531 1.00 42.21 H new ATOM 0 HG2 LYS A 19 -8.750 -15.403 -20.792 1.00 0.44 H new ATOM 0 HG3 LYS A 19 -9.751 -15.116 -22.202 1.00 0.44 H new ATOM 0 HD2 LYS A 19 -8.920 -17.904 -21.320 1.00 30.12 H new ATOM 0 HD3 LYS A 19 -10.382 -17.127 -20.747 1.00 30.12 H new ATOM 0 HE2 LYS A 19 -11.136 -16.851 -23.126 1.00 54.50 H new ATOM 0 HE3 LYS A 19 -9.699 -17.702 -23.659 1.00 54.50 H new ATOM 0 HZ1 LYS A 19 -11.594 -19.182 -23.524 1.00 12.14 H new ATOM 0 HZ2 LYS A 19 -10.414 -19.647 -22.394 1.00 12.14 H new ATOM 0 HZ3 LYS A 19 -11.807 -18.823 -21.878 1.00 12.14 H new ATOM 276 N LYS A 20 -5.044 -16.233 -21.393 1.00 34.44 N ATOM 277 CA LYS A 20 -4.159 -16.728 -20.345 1.00 13.54 C ATOM 278 C LYS A 20 -3.343 -15.592 -19.739 1.00 54.33 C ATOM 279 O LYS A 20 -3.295 -15.432 -18.520 1.00 71.32 O ATOM 280 CB LYS A 20 -3.223 -17.800 -20.905 1.00 51.40 C ATOM 281 CG LYS A 20 -3.950 -18.989 -21.509 1.00 41.13 C ATOM 282 CD LYS A 20 -3.023 -20.181 -21.682 1.00 21.45 C ATOM 283 CE LYS A 20 -3.801 -21.452 -21.990 1.00 33.50 C ATOM 284 NZ LYS A 20 -4.699 -21.282 -23.165 1.00 30.33 N ATOM 0 H LYS A 20 -4.949 -16.715 -22.287 1.00 34.44 H new ATOM 0 HA LYS A 20 -4.776 -17.166 -19.560 1.00 13.54 H new ATOM 0 HB2 LYS A 20 -2.584 -17.351 -21.666 1.00 51.40 H new ATOM 0 HB3 LYS A 20 -2.569 -18.152 -20.107 1.00 51.40 H new ATOM 0 HG2 LYS A 20 -4.787 -19.268 -20.869 1.00 41.13 H new ATOM 0 HG3 LYS A 20 -4.368 -18.708 -22.476 1.00 41.13 H new ATOM 0 HD2 LYS A 20 -2.317 -19.981 -22.488 1.00 21.45 H new ATOM 0 HD3 LYS A 20 -2.437 -20.323 -20.774 1.00 21.45 H new ATOM 0 HE2 LYS A 20 -3.103 -22.267 -22.181 1.00 33.50 H new ATOM 0 HE3 LYS A 20 -4.392 -21.736 -21.119 1.00 33.50 H new ATOM 0 HZ1 LYS A 20 -5.108 -22.202 -23.426 1.00 30.33 H new ATOM 0 HZ2 LYS A 20 -5.464 -20.619 -22.925 1.00 30.33 H new ATOM 0 HZ3 LYS A 20 -4.154 -20.906 -23.967 1.00 30.33 H new ATOM 298 N ALA A 21 -2.706 -14.803 -20.598 1.00 53.12 N ATOM 299 CA ALA A 21 -1.896 -13.679 -20.147 1.00 1.22 C ATOM 300 C ALA A 21 -2.701 -12.748 -19.246 1.00 43.50 C ATOM 301 O ALA A 21 -2.274 -12.417 -18.140 1.00 22.15 O ATOM 302 CB ALA A 21 -1.343 -12.914 -21.340 1.00 20.30 C ATOM 0 H ALA A 21 -2.736 -14.922 -21.611 1.00 53.12 H new ATOM 0 HA ALA A 21 -1.063 -14.074 -19.565 1.00 1.22 H new ATOM 0 HB1 ALA A 21 -0.740 -12.077 -20.988 1.00 20.30 H new ATOM 0 HB2 ALA A 21 -0.724 -13.578 -21.943 1.00 20.30 H new ATOM 0 HB3 ALA A 21 -2.168 -12.538 -21.945 1.00 20.30 H new ATOM 308 N ARG A 22 -3.866 -12.329 -19.727 1.00 25.34 N ATOM 309 CA ARG A 22 -4.730 -11.434 -18.966 1.00 62.34 C ATOM 310 C ARG A 22 -5.128 -12.065 -17.635 1.00 32.15 C ATOM 311 O ARG A 22 -5.019 -11.435 -16.582 1.00 70.51 O ATOM 312 CB ARG A 22 -5.983 -11.091 -19.774 1.00 44.13 C ATOM 313 CG ARG A 22 -5.824 -9.860 -20.651 1.00 55.33 C ATOM 314 CD ARG A 22 -7.065 -9.610 -21.493 1.00 32.33 C ATOM 315 NE ARG A 22 -8.065 -8.825 -20.774 1.00 60.44 N ATOM 316 CZ ARG A 22 -9.338 -8.739 -21.145 1.00 11.23 C ATOM 317 NH1 ARG A 22 -9.762 -9.387 -22.221 1.00 3.41 N ATOM 318 NH2 ARG A 22 -10.188 -8.005 -20.439 1.00 10.54 N ATOM 0 H ARG A 22 -4.234 -12.595 -20.640 1.00 25.34 H new ATOM 0 HA ARG A 22 -4.174 -10.518 -18.763 1.00 62.34 H new ATOM 0 HB2 ARG A 22 -6.245 -11.943 -20.402 1.00 44.13 H new ATOM 0 HB3 ARG A 22 -6.815 -10.933 -19.088 1.00 44.13 H new ATOM 0 HG2 ARG A 22 -5.626 -8.990 -20.025 1.00 55.33 H new ATOM 0 HG3 ARG A 22 -4.960 -9.986 -21.303 1.00 55.33 H new ATOM 0 HD2 ARG A 22 -6.783 -9.088 -22.408 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -7.499 -10.564 -21.791 1.00 32.33 H new ATOM 0 HE ARG A 22 -7.770 -8.315 -19.941 1.00 60.44 H new ATOM 0 HH11 ARG A 22 -9.111 -9.953 -22.765 1.00 3.41 H new ATOM 0 HH12 ARG A 22 -10.740 -9.320 -22.504 1.00 3.41 H new ATOM 0 HH21 ARG A 22 -9.865 -7.506 -19.610 1.00 10.54 H new ATOM 0 HH22 ARG A 22 -11.165 -7.940 -20.725 1.00 10.54 H new ATOM 332 N ILE A 23 -5.589 -13.310 -17.689 1.00 34.41 N ATOM 333 CA ILE A 23 -6.001 -14.025 -16.489 1.00 74.45 C ATOM 334 C ILE A 23 -4.855 -14.125 -15.487 1.00 44.23 C ATOM 335 O ILE A 23 -5.072 -14.087 -14.276 1.00 42.13 O ATOM 336 CB ILE A 23 -6.502 -15.444 -16.822 1.00 2.43 C ATOM 337 CG1 ILE A 23 -7.696 -15.375 -17.775 1.00 24.30 C ATOM 338 CG2 ILE A 23 -6.875 -16.186 -15.548 1.00 3.12 C ATOM 339 CD1 ILE A 23 -7.848 -16.605 -18.643 1.00 52.43 C ATOM 0 H ILE A 23 -5.686 -13.844 -18.552 1.00 34.41 H new ATOM 0 HA ILE A 23 -6.818 -13.454 -16.047 1.00 74.45 H new ATOM 0 HB ILE A 23 -5.699 -15.992 -17.315 1.00 2.43 H new ATOM 0 HG12 ILE A 23 -8.607 -15.236 -17.193 1.00 24.30 H new ATOM 0 HG13 ILE A 23 -7.590 -14.499 -18.415 1.00 24.30 H new ATOM 0 HG21 ILE A 23 -7.227 -17.186 -15.799 1.00 3.12 H new ATOM 0 HG22 ILE A 23 -6.001 -16.261 -14.901 1.00 3.12 H new ATOM 0 HG23 ILE A 23 -7.665 -15.643 -15.029 1.00 3.12 H new ATOM 0 HD11 ILE A 23 -8.715 -16.486 -19.293 1.00 52.43 H new ATOM 0 HD12 ILE A 23 -6.953 -16.734 -19.251 1.00 52.43 H new ATOM 0 HD13 ILE A 23 -7.986 -17.482 -18.010 1.00 52.43 H new ATOM 351 N TRP A 24 -3.637 -14.250 -16.001 1.00 31.51 N ATOM 352 CA TRP A 24 -2.456 -14.354 -15.151 1.00 62.05 C ATOM 353 C TRP A 24 -2.179 -13.033 -14.442 1.00 74.25 C ATOM 354 O TRP A 24 -1.992 -12.998 -13.225 1.00 4.31 O ATOM 355 CB TRP A 24 -1.240 -14.766 -15.981 1.00 3.42 C ATOM 356 CG TRP A 24 -0.162 -15.421 -15.171 1.00 50.22 C ATOM 357 CD1 TRP A 24 0.070 -16.761 -15.048 1.00 42.14 C ATOM 358 CD2 TRP A 24 0.827 -14.766 -14.371 1.00 0.54 C ATOM 359 NE1 TRP A 24 1.143 -16.979 -14.220 1.00 71.32 N ATOM 360 CE2 TRP A 24 1.627 -15.770 -13.791 1.00 44.32 C ATOM 361 CE3 TRP A 24 1.116 -13.428 -14.088 1.00 41.34 C ATOM 362 CZ2 TRP A 24 2.693 -15.477 -12.946 1.00 65.40 C ATOM 363 CZ3 TRP A 24 2.175 -13.139 -13.249 1.00 2.15 C ATOM 364 CH2 TRP A 24 2.954 -14.159 -12.687 1.00 64.41 C ATOM 0 H TRP A 24 -3.441 -14.282 -17.001 1.00 31.51 H new ATOM 0 HA TRP A 24 -2.647 -15.117 -14.397 1.00 62.05 H new ATOM 0 HB2 TRP A 24 -1.560 -15.450 -16.767 1.00 3.42 H new ATOM 0 HB3 TRP A 24 -0.830 -13.884 -16.473 1.00 3.42 H new ATOM 0 HD1 TRP A 24 -0.506 -17.536 -15.531 1.00 42.14 H new ATOM 0 HE1 TRP A 24 1.519 -17.892 -13.965 1.00 71.32 H new ATOM 0 HE3 TRP A 24 0.522 -12.635 -14.517 1.00 41.34 H new ATOM 0 HZ2 TRP A 24 3.293 -16.262 -12.510 1.00 65.40 H new ATOM 0 HZ3 TRP A 24 2.406 -12.109 -13.022 1.00 2.15 H new ATOM 0 HH2 TRP A 24 3.776 -13.900 -12.037 1.00 64.41 H new ATOM 375 N LEU A 25 -2.155 -11.948 -15.208 1.00 11.33 N ATOM 376 CA LEU A 25 -1.901 -10.623 -14.653 1.00 44.32 C ATOM 377 C LEU A 25 -2.923 -10.281 -13.574 1.00 51.32 C ATOM 378 O LEU A 25 -2.566 -9.812 -12.493 1.00 43.22 O ATOM 379 CB LEU A 25 -1.937 -9.569 -15.759 1.00 70.24 C ATOM 380 CG LEU A 25 -0.596 -9.236 -16.413 1.00 60.23 C ATOM 381 CD1 LEU A 25 0.344 -8.593 -15.406 1.00 21.14 C ATOM 382 CD2 LEU A 25 0.031 -10.487 -17.010 1.00 3.23 C ATOM 0 H LEU A 25 -2.309 -11.960 -16.216 1.00 11.33 H new ATOM 0 HA LEU A 25 -0.910 -10.629 -14.200 1.00 44.32 H new ATOM 0 HB2 LEU A 25 -2.622 -9.909 -16.535 1.00 70.24 H new ATOM 0 HB3 LEU A 25 -2.354 -8.651 -15.345 1.00 70.24 H new ATOM 0 HG LEU A 25 -0.773 -8.523 -17.219 1.00 60.23 H new ATOM 0 HD11 LEU A 25 1.293 -8.363 -15.890 1.00 21.14 H new ATOM 0 HD12 LEU A 25 -0.102 -7.674 -15.027 1.00 21.14 H new ATOM 0 HD13 LEU A 25 0.516 -9.281 -14.578 1.00 21.14 H new ATOM 0 HD21 LEU A 25 0.985 -10.231 -17.471 1.00 3.23 H new ATOM 0 HD22 LEU A 25 0.194 -11.223 -16.223 1.00 3.23 H new ATOM 0 HD23 LEU A 25 -0.636 -10.904 -17.764 1.00 3.23 H new ATOM 394 N GLU A 26 -4.196 -10.520 -13.875 1.00 61.23 N ATOM 395 CA GLU A 26 -5.270 -10.237 -12.929 1.00 64.31 C ATOM 396 C GLU A 26 -5.212 -11.190 -11.739 1.00 74.22 C ATOM 397 O GLU A 26 -5.502 -10.805 -10.606 1.00 53.23 O ATOM 398 CB GLU A 26 -6.630 -10.349 -13.620 1.00 32.45 C ATOM 399 CG GLU A 26 -6.969 -11.758 -14.073 1.00 31.13 C ATOM 400 CD GLU A 26 -8.275 -11.827 -14.839 1.00 44.21 C ATOM 401 OE1 GLU A 26 -8.473 -10.997 -15.751 1.00 13.03 O ATOM 402 OE2 GLU A 26 -9.102 -12.711 -14.527 1.00 61.24 O ATOM 0 H GLU A 26 -4.509 -10.908 -14.765 1.00 61.23 H new ATOM 0 HA GLU A 26 -5.139 -9.219 -12.563 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -7.405 -10.000 -12.937 1.00 32.45 H new ATOM 0 HB3 GLU A 26 -6.644 -9.685 -14.485 1.00 32.45 H new ATOM 0 HG2 GLU A 26 -6.163 -12.137 -14.702 1.00 31.13 H new ATOM 0 HG3 GLU A 26 -7.028 -12.411 -13.202 1.00 31.13 H new ATOM 409 N ASP A 27 -4.835 -12.437 -12.004 1.00 34.31 N ATOM 410 CA ASP A 27 -4.738 -13.445 -10.956 1.00 72.41 C ATOM 411 C ASP A 27 -3.709 -13.040 -9.905 1.00 33.14 C ATOM 412 O ASP A 27 -3.960 -13.143 -8.704 1.00 3.11 O ATOM 413 CB ASP A 27 -4.364 -14.801 -11.557 1.00 42.32 C ATOM 414 CG ASP A 27 -3.980 -15.818 -10.500 1.00 63.52 C ATOM 415 OD1 ASP A 27 -4.646 -15.855 -9.443 1.00 71.12 O ATOM 416 OD2 ASP A 27 -3.014 -16.575 -10.729 1.00 45.10 O ATOM 0 H ASP A 27 -4.592 -12.773 -12.936 1.00 34.31 H new ATOM 0 HA ASP A 27 -5.712 -13.526 -10.473 1.00 72.41 H new ATOM 0 HB2 ASP A 27 -5.205 -15.183 -12.136 1.00 42.32 H new ATOM 0 HB3 ASP A 27 -3.533 -14.671 -12.250 1.00 42.32 H new ATOM 421 N HIS A 28 -2.550 -12.580 -10.365 1.00 21.13 N ATOM 422 CA HIS A 28 -1.483 -12.159 -9.465 1.00 13.54 C ATOM 423 C HIS A 28 -1.892 -10.916 -8.679 1.00 43.42 C ATOM 424 O HIS A 28 -1.283 -10.582 -7.664 1.00 0.32 O ATOM 425 CB HIS A 28 -0.202 -11.881 -10.252 1.00 14.43 C ATOM 426 CG HIS A 28 0.995 -11.641 -9.384 1.00 55.54 C ATOM 427 ND1 HIS A 28 1.276 -10.420 -8.808 1.00 12.03 N ATOM 428 CD2 HIS A 28 1.985 -12.477 -8.992 1.00 71.45 C ATOM 429 CE1 HIS A 28 2.388 -10.514 -8.102 1.00 24.52 C ATOM 430 NE2 HIS A 28 2.838 -11.752 -8.197 1.00 21.13 N ATOM 0 H HIS A 28 -2.326 -12.489 -11.356 1.00 21.13 H new ATOM 0 HA HIS A 28 -1.298 -12.968 -8.759 1.00 13.54 H new ATOM 0 HB2 HIS A 28 0.001 -12.726 -10.910 1.00 14.43 H new ATOM 0 HB3 HIS A 28 -0.359 -11.011 -10.889 1.00 14.43 H new ATOM 0 HD2 HIS A 28 2.085 -13.520 -9.255 1.00 71.45 H new ATOM 0 HE1 HIS A 28 2.851 -9.715 -7.542 1.00 24.52 H new ATOM 0 HE2 HIS A 28 3.682 -12.111 -7.752 1.00 21.13 H new ATOM 438 N GLY A 29 -2.929 -10.234 -9.159 1.00 43.32 N ATOM 439 CA GLY A 29 -3.400 -9.035 -8.491 1.00 61.30 C ATOM 440 C GLY A 29 -2.811 -7.770 -9.084 1.00 13.24 C ATOM 441 O GLY A 29 -2.710 -6.747 -8.405 1.00 52.32 O ATOM 0 H GLY A 29 -3.450 -10.491 -9.997 1.00 43.32 H new ATOM 0 HA2 GLY A 29 -4.487 -8.990 -8.555 1.00 61.30 H new ATOM 0 HA3 GLY A 29 -3.145 -9.089 -7.433 1.00 61.30 H new ATOM 445 N ILE A 30 -2.417 -7.840 -10.350 1.00 54.44 N ATOM 446 CA ILE A 30 -1.834 -6.692 -11.033 1.00 74.22 C ATOM 447 C ILE A 30 -2.809 -6.101 -12.045 1.00 61.31 C ATOM 448 O ILE A 30 -3.630 -6.814 -12.622 1.00 14.22 O ATOM 449 CB ILE A 30 -0.528 -7.071 -11.756 1.00 33.02 C ATOM 450 CG1 ILE A 30 0.390 -7.856 -10.818 1.00 74.32 C ATOM 451 CG2 ILE A 30 0.173 -5.823 -12.271 1.00 52.12 C ATOM 452 CD1 ILE A 30 1.666 -8.330 -11.478 1.00 25.45 C ATOM 0 H ILE A 30 -2.491 -8.680 -10.924 1.00 54.44 H new ATOM 0 HA ILE A 30 -1.613 -5.948 -10.268 1.00 74.22 H new ATOM 0 HB ILE A 30 -0.772 -7.705 -12.609 1.00 33.02 H new ATOM 0 HG12 ILE A 30 0.644 -7.229 -9.963 1.00 74.32 H new ATOM 0 HG13 ILE A 30 -0.152 -8.719 -10.431 1.00 74.32 H new ATOM 0 HG21 ILE A 30 1.094 -6.107 -12.780 1.00 52.12 H new ATOM 0 HG22 ILE A 30 -0.481 -5.300 -12.969 1.00 52.12 H new ATOM 0 HG23 ILE A 30 0.408 -5.166 -11.434 1.00 52.12 H new ATOM 0 HD11 ILE A 30 2.268 -8.879 -10.754 1.00 25.45 H new ATOM 0 HD12 ILE A 30 1.421 -8.983 -12.316 1.00 25.45 H new ATOM 0 HD13 ILE A 30 2.229 -7.470 -11.840 1.00 25.45 H new ATOM 464 N ASP A 31 -2.710 -4.792 -12.258 1.00 75.12 N ATOM 465 CA ASP A 31 -3.582 -4.105 -13.204 1.00 21.24 C ATOM 466 C ASP A 31 -2.796 -3.634 -14.423 1.00 75.12 C ATOM 467 O ASP A 31 -1.974 -2.722 -14.331 1.00 63.43 O ATOM 468 CB ASP A 31 -4.262 -2.912 -12.528 1.00 24.41 C ATOM 469 CG ASP A 31 -5.500 -3.315 -11.751 1.00 12.42 C ATOM 470 OD1 ASP A 31 -6.544 -3.565 -12.388 1.00 60.30 O ATOM 471 OD2 ASP A 31 -5.424 -3.379 -10.506 1.00 24.32 O ATOM 0 H ASP A 31 -2.036 -4.187 -11.789 1.00 75.12 H new ATOM 0 HA ASP A 31 -4.345 -4.809 -13.536 1.00 21.24 H new ATOM 0 HB2 ASP A 31 -3.555 -2.429 -11.854 1.00 24.41 H new ATOM 0 HB3 ASP A 31 -4.535 -2.176 -13.285 1.00 24.41 H new ATOM 476 N TYR A 32 -3.054 -4.262 -15.565 1.00 1.34 N ATOM 477 CA TYR A 32 -2.368 -3.910 -16.802 1.00 14.55 C ATOM 478 C TYR A 32 -3.348 -3.344 -17.826 1.00 23.04 C ATOM 479 O TYR A 32 -4.535 -3.673 -17.817 1.00 43.04 O ATOM 480 CB TYR A 32 -1.658 -5.134 -17.383 1.00 44.01 C ATOM 481 CG TYR A 32 -0.216 -5.261 -16.945 1.00 2.43 C ATOM 482 CD1 TYR A 32 0.156 -5.011 -15.630 1.00 2.21 C ATOM 483 CD2 TYR A 32 0.775 -5.628 -17.848 1.00 41.42 C ATOM 484 CE1 TYR A 32 1.473 -5.125 -15.227 1.00 1.10 C ATOM 485 CE2 TYR A 32 2.093 -5.747 -17.453 1.00 0.12 C ATOM 486 CZ TYR A 32 2.437 -5.493 -16.141 1.00 70.01 C ATOM 487 OH TYR A 32 3.750 -5.608 -15.744 1.00 34.31 O ATOM 0 H TYR A 32 -3.733 -5.017 -15.659 1.00 1.34 H new ATOM 0 HA TYR A 32 -1.628 -3.144 -16.571 1.00 14.55 H new ATOM 0 HB2 TYR A 32 -2.200 -6.032 -17.087 1.00 44.01 H new ATOM 0 HB3 TYR A 32 -1.696 -5.083 -18.471 1.00 44.01 H new ATOM 0 HD1 TYR A 32 -0.596 -4.723 -14.911 1.00 2.21 H new ATOM 0 HD2 TYR A 32 0.510 -5.824 -18.876 1.00 41.42 H new ATOM 0 HE1 TYR A 32 1.746 -4.927 -14.201 1.00 1.10 H new ATOM 0 HE2 TYR A 32 2.850 -6.037 -18.167 1.00 0.12 H new ATOM 0 HH TYR A 32 4.301 -5.876 -16.509 1.00 34.31 H new ATOM 497 N THR A 33 -2.842 -2.490 -18.712 1.00 12.42 N ATOM 498 CA THR A 33 -3.670 -1.877 -19.742 1.00 70.00 C ATOM 499 C THR A 33 -3.841 -2.810 -20.937 1.00 44.51 C ATOM 500 O THR A 33 -2.904 -3.027 -21.706 1.00 22.54 O ATOM 501 CB THR A 33 -3.069 -0.545 -20.227 1.00 0.30 C ATOM 502 OG1 THR A 33 -2.335 0.076 -19.166 1.00 62.20 O ATOM 503 CG2 THR A 33 -4.161 0.395 -20.713 1.00 52.41 C ATOM 0 H THR A 33 -1.862 -2.208 -18.736 1.00 12.42 H new ATOM 0 HA THR A 33 -4.644 -1.685 -19.292 1.00 70.00 H new ATOM 0 HB THR A 33 -2.396 -0.756 -21.058 1.00 0.30 H new ATOM 0 HG1 THR A 33 -1.493 -0.405 -19.026 1.00 62.20 H new ATOM 0 HG21 THR A 33 -3.713 1.329 -21.051 1.00 52.41 H new ATOM 0 HG22 THR A 33 -4.699 -0.069 -21.540 1.00 52.41 H new ATOM 0 HG23 THR A 33 -4.855 0.599 -19.898 1.00 52.41 H new ATOM 511 N PHE A 34 -5.042 -3.357 -21.087 1.00 20.02 N ATOM 512 CA PHE A 34 -5.335 -4.266 -22.189 1.00 51.35 C ATOM 513 C PHE A 34 -5.539 -3.496 -23.490 1.00 63.42 C ATOM 514 O PHE A 34 -6.453 -2.679 -23.604 1.00 51.44 O ATOM 515 CB PHE A 34 -6.581 -5.098 -21.874 1.00 74.40 C ATOM 516 CG PHE A 34 -7.033 -5.957 -23.021 1.00 73.23 C ATOM 517 CD1 PHE A 34 -6.118 -6.692 -23.756 1.00 15.04 C ATOM 518 CD2 PHE A 34 -8.374 -6.028 -23.362 1.00 54.34 C ATOM 519 CE1 PHE A 34 -6.530 -7.484 -24.810 1.00 11.43 C ATOM 520 CE2 PHE A 34 -8.793 -6.819 -24.416 1.00 31.14 C ATOM 521 CZ PHE A 34 -7.870 -7.547 -25.142 1.00 71.33 C ATOM 0 H PHE A 34 -5.828 -3.187 -20.460 1.00 20.02 H new ATOM 0 HA PHE A 34 -4.482 -4.934 -22.313 1.00 51.35 H new ATOM 0 HB2 PHE A 34 -6.376 -5.734 -21.013 1.00 74.40 H new ATOM 0 HB3 PHE A 34 -7.393 -4.429 -21.589 1.00 74.40 H new ATOM 0 HD1 PHE A 34 -5.069 -6.645 -23.502 1.00 15.04 H new ATOM 0 HD2 PHE A 34 -9.099 -5.460 -22.799 1.00 54.34 H new ATOM 0 HE1 PHE A 34 -5.806 -8.053 -25.374 1.00 11.43 H new ATOM 0 HE2 PHE A 34 -9.841 -6.868 -24.672 1.00 31.14 H new ATOM 0 HZ PHE A 34 -8.195 -8.164 -25.967 1.00 71.33 H new ATOM 531 N HIS A 35 -4.680 -3.762 -24.469 1.00 30.12 N ATOM 532 CA HIS A 35 -4.764 -3.095 -25.763 1.00 4.21 C ATOM 533 C HIS A 35 -4.884 -4.113 -26.892 1.00 71.42 C ATOM 534 O HIS A 35 -3.973 -4.908 -27.125 1.00 23.35 O ATOM 535 CB HIS A 35 -3.537 -2.211 -25.986 1.00 32.13 C ATOM 536 CG HIS A 35 -3.645 -1.328 -27.190 1.00 2.30 C ATOM 537 ND1 HIS A 35 -3.423 0.032 -27.149 1.00 73.35 N ATOM 538 CD2 HIS A 35 -3.954 -1.618 -28.476 1.00 54.12 C ATOM 539 CE1 HIS A 35 -3.592 0.540 -28.356 1.00 51.22 C ATOM 540 NE2 HIS A 35 -3.914 -0.440 -29.181 1.00 32.22 N ATOM 0 H HIS A 35 -3.918 -4.435 -24.390 1.00 30.12 H new ATOM 0 HA HIS A 35 -5.657 -2.470 -25.764 1.00 4.21 H new ATOM 0 HB2 HIS A 35 -3.382 -1.590 -25.104 1.00 32.13 H new ATOM 0 HB3 HIS A 35 -2.657 -2.845 -26.089 1.00 32.13 H new ATOM 0 HD2 HIS A 35 -4.188 -2.594 -28.874 1.00 54.12 H new ATOM 0 HE1 HIS A 35 -3.485 1.581 -28.623 1.00 51.22 H new ATOM 0 HE2 HIS A 35 -4.102 -0.339 -30.178 1.00 32.22 H new ATOM 548 N ASP A 36 -6.014 -4.085 -27.592 1.00 25.23 N ATOM 549 CA ASP A 36 -6.253 -5.005 -28.697 1.00 42.21 C ATOM 550 C ASP A 36 -5.748 -4.418 -30.012 1.00 1.23 C ATOM 551 O ASP A 36 -6.013 -3.258 -30.327 1.00 31.51 O ATOM 552 CB ASP A 36 -7.744 -5.327 -28.807 1.00 24.32 C ATOM 553 CG ASP A 36 -8.114 -6.609 -28.086 1.00 34.45 C ATOM 554 OD1 ASP A 36 -7.281 -7.539 -28.065 1.00 21.31 O ATOM 555 OD2 ASP A 36 -9.237 -6.682 -27.546 1.00 70.42 O ATOM 0 H ASP A 36 -6.779 -3.434 -27.413 1.00 25.23 H new ATOM 0 HA ASP A 36 -5.704 -5.925 -28.496 1.00 42.21 H new ATOM 0 HB2 ASP A 36 -8.323 -4.501 -28.394 1.00 24.32 H new ATOM 0 HB3 ASP A 36 -8.018 -5.413 -29.859 1.00 24.32 H new ATOM 560 N TYR A 37 -5.019 -5.226 -30.773 1.00 30.14 N ATOM 561 CA TYR A 37 -4.474 -4.785 -32.052 1.00 33.02 C ATOM 562 C TYR A 37 -5.581 -4.633 -33.092 1.00 52.25 C ATOM 563 O TYR A 37 -5.529 -3.747 -33.946 1.00 44.22 O ATOM 564 CB TYR A 37 -3.423 -5.778 -32.551 1.00 4.33 C ATOM 565 CG TYR A 37 -2.071 -5.609 -31.896 1.00 34.33 C ATOM 566 CD1 TYR A 37 -1.465 -4.361 -31.821 1.00 30.14 C ATOM 567 CD2 TYR A 37 -1.401 -6.697 -31.350 1.00 74.22 C ATOM 568 CE1 TYR A 37 -0.229 -4.202 -31.223 1.00 74.45 C ATOM 569 CE2 TYR A 37 -0.166 -6.547 -30.749 1.00 34.11 C ATOM 570 CZ TYR A 37 0.416 -5.298 -30.688 1.00 12.12 C ATOM 571 OH TYR A 37 1.645 -5.144 -30.091 1.00 41.03 O ATOM 0 H TYR A 37 -4.792 -6.189 -30.527 1.00 30.14 H new ATOM 0 HA TYR A 37 -4.004 -3.813 -31.903 1.00 33.02 H new ATOM 0 HB2 TYR A 37 -3.780 -6.792 -32.372 1.00 4.33 H new ATOM 0 HB3 TYR A 37 -3.312 -5.665 -33.629 1.00 4.33 H new ATOM 0 HD1 TYR A 37 -1.968 -3.501 -32.237 1.00 30.14 H new ATOM 0 HD2 TYR A 37 -1.853 -7.677 -31.396 1.00 74.22 H new ATOM 0 HE1 TYR A 37 0.229 -3.225 -31.175 1.00 74.45 H new ATOM 0 HE2 TYR A 37 0.341 -7.403 -30.329 1.00 34.11 H new ATOM 0 HH TYR A 37 1.961 -6.012 -29.765 1.00 41.03 H new ATOM 581 N LYS A 38 -6.581 -5.504 -33.014 1.00 0.11 N ATOM 582 CA LYS A 38 -7.702 -5.468 -33.946 1.00 54.34 C ATOM 583 C LYS A 38 -8.780 -4.504 -33.463 1.00 63.30 C ATOM 584 O LYS A 38 -9.239 -3.641 -34.213 1.00 51.11 O ATOM 585 CB LYS A 38 -8.295 -6.868 -34.117 1.00 63.31 C ATOM 586 CG LYS A 38 -9.175 -7.010 -35.347 1.00 54.42 C ATOM 587 CD LYS A 38 -10.599 -6.559 -35.069 1.00 63.40 C ATOM 588 CE LYS A 38 -11.597 -7.288 -35.956 1.00 74.30 C ATOM 589 NZ LYS A 38 -11.920 -8.644 -35.430 1.00 30.43 N ATOM 0 H LYS A 38 -6.638 -6.244 -32.314 1.00 0.11 H new ATOM 0 HA LYS A 38 -7.330 -5.117 -34.909 1.00 54.34 H new ATOM 0 HB2 LYS A 38 -7.483 -7.593 -34.176 1.00 63.31 H new ATOM 0 HB3 LYS A 38 -8.880 -7.116 -33.231 1.00 63.31 H new ATOM 0 HG2 LYS A 38 -8.758 -6.420 -36.164 1.00 54.42 H new ATOM 0 HG3 LYS A 38 -9.179 -8.050 -35.675 1.00 54.42 H new ATOM 0 HD2 LYS A 38 -10.841 -6.740 -34.022 1.00 63.40 H new ATOM 0 HD3 LYS A 38 -10.680 -5.485 -35.234 1.00 63.40 H new ATOM 0 HE2 LYS A 38 -12.512 -6.701 -36.032 1.00 74.30 H new ATOM 0 HE3 LYS A 38 -11.190 -7.377 -36.963 1.00 74.30 H new ATOM 0 HZ1 LYS A 38 -12.603 -9.108 -36.062 1.00 30.43 H new ATOM 0 HZ2 LYS A 38 -11.051 -9.213 -35.381 1.00 30.43 H new ATOM 0 HZ3 LYS A 38 -12.332 -8.558 -34.479 1.00 30.43 H new ATOM 603 N LYS A 39 -9.180 -4.652 -32.204 1.00 13.11 N ATOM 604 CA LYS A 39 -10.202 -3.793 -31.619 1.00 43.13 C ATOM 605 C LYS A 39 -9.831 -2.322 -31.775 1.00 2.14 C ATOM 606 O LYS A 39 -10.653 -1.506 -32.189 1.00 41.33 O ATOM 607 CB LYS A 39 -10.392 -4.128 -30.137 1.00 74.40 C ATOM 608 CG LYS A 39 -11.803 -3.880 -29.634 1.00 14.42 C ATOM 609 CD LYS A 39 -12.040 -4.546 -28.289 1.00 32.52 C ATOM 610 CE LYS A 39 -13.427 -4.233 -27.749 1.00 13.12 C ATOM 611 NZ LYS A 39 -13.453 -2.949 -26.996 1.00 4.24 N ATOM 0 H LYS A 39 -8.811 -5.360 -31.569 1.00 13.11 H new ATOM 0 HA LYS A 39 -11.138 -3.971 -32.149 1.00 43.13 H new ATOM 0 HB2 LYS A 39 -10.136 -5.175 -29.974 1.00 74.40 H new ATOM 0 HB3 LYS A 39 -9.695 -3.534 -29.546 1.00 74.40 H new ATOM 0 HG2 LYS A 39 -11.976 -2.807 -29.545 1.00 14.42 H new ATOM 0 HG3 LYS A 39 -12.521 -4.259 -30.361 1.00 14.42 H new ATOM 0 HD2 LYS A 39 -11.923 -5.625 -28.390 1.00 32.52 H new ATOM 0 HD3 LYS A 39 -11.287 -4.209 -27.577 1.00 32.52 H new ATOM 0 HE2 LYS A 39 -14.136 -4.183 -28.576 1.00 13.12 H new ATOM 0 HE3 LYS A 39 -13.754 -5.043 -27.097 1.00 13.12 H new ATOM 0 HZ1 LYS A 39 -14.416 -2.772 -26.645 1.00 4.24 H new ATOM 0 HZ2 LYS A 39 -12.796 -3.005 -26.192 1.00 4.24 H new ATOM 0 HZ3 LYS A 39 -13.166 -2.172 -27.625 1.00 4.24 H new ATOM 625 N GLU A 40 -8.587 -1.991 -31.442 1.00 43.23 N ATOM 626 CA GLU A 40 -8.108 -0.618 -31.546 1.00 30.23 C ATOM 627 C GLU A 40 -7.760 -0.272 -32.991 1.00 71.01 C ATOM 628 O GLU A 40 -7.795 0.892 -33.388 1.00 70.35 O ATOM 629 CB GLU A 40 -6.885 -0.412 -30.651 1.00 33.12 C ATOM 630 CG GLU A 40 -6.752 1.005 -30.119 1.00 71.13 C ATOM 631 CD GLU A 40 -7.991 1.468 -29.378 1.00 51.30 C ATOM 632 OE1 GLU A 40 -8.353 0.827 -28.370 1.00 11.55 O ATOM 633 OE2 GLU A 40 -8.600 2.471 -29.806 1.00 43.15 O ATOM 0 H GLU A 40 -7.893 -2.655 -31.098 1.00 43.23 H new ATOM 0 HA GLU A 40 -8.907 0.045 -31.214 1.00 30.23 H new ATOM 0 HB2 GLU A 40 -6.940 -1.103 -29.810 1.00 33.12 H new ATOM 0 HB3 GLU A 40 -5.987 -0.666 -31.214 1.00 33.12 H new ATOM 0 HG2 GLU A 40 -5.892 1.059 -29.451 1.00 71.13 H new ATOM 0 HG3 GLU A 40 -6.554 1.684 -30.949 1.00 71.13 H new ATOM 640 N GLY A 41 -7.422 -1.293 -33.774 1.00 12.45 N ATOM 641 CA GLY A 41 -7.071 -1.076 -35.164 1.00 0.44 C ATOM 642 C GLY A 41 -5.618 -0.679 -35.341 1.00 54.13 C ATOM 643 O GLY A 41 -5.215 0.417 -34.950 1.00 32.21 O ATOM 0 H GLY A 41 -7.385 -2.266 -33.469 1.00 12.45 H new ATOM 0 HA2 GLY A 41 -7.267 -1.986 -35.731 1.00 0.44 H new ATOM 0 HA3 GLY A 41 -7.710 -0.297 -35.579 1.00 0.44 H new ATOM 647 N LEU A 42 -4.830 -1.571 -35.931 1.00 61.22 N ATOM 648 CA LEU A 42 -3.413 -1.309 -36.157 1.00 32.11 C ATOM 649 C LEU A 42 -3.211 -0.447 -37.399 1.00 60.11 C ATOM 650 O LEU A 42 -3.462 -0.889 -38.520 1.00 61.12 O ATOM 651 CB LEU A 42 -2.648 -2.625 -36.304 1.00 31.00 C ATOM 652 CG LEU A 42 -1.194 -2.614 -35.830 1.00 10.43 C ATOM 653 CD1 LEU A 42 -0.369 -1.643 -36.660 1.00 61.11 C ATOM 654 CD2 LEU A 42 -1.119 -2.253 -34.353 1.00 25.43 C ATOM 0 H LEU A 42 -5.148 -2.482 -36.262 1.00 61.22 H new ATOM 0 HA LEU A 42 -3.026 -0.767 -35.294 1.00 32.11 H new ATOM 0 HB2 LEU A 42 -3.183 -3.397 -35.751 1.00 31.00 H new ATOM 0 HB3 LEU A 42 -2.664 -2.916 -37.354 1.00 31.00 H new ATOM 0 HG LEU A 42 -0.781 -3.614 -35.962 1.00 10.43 H new ATOM 0 HD11 LEU A 42 0.663 -1.649 -36.308 1.00 61.11 H new ATOM 0 HD12 LEU A 42 -0.397 -1.945 -37.707 1.00 61.11 H new ATOM 0 HD13 LEU A 42 -0.781 -0.639 -36.561 1.00 61.11 H new ATOM 0 HD21 LEU A 42 -0.077 -2.250 -34.032 1.00 25.43 H new ATOM 0 HD22 LEU A 42 -1.550 -1.264 -34.198 1.00 25.43 H new ATOM 0 HD23 LEU A 42 -1.676 -2.987 -33.770 1.00 25.43 H new ATOM 666 N ASP A 43 -2.752 0.782 -37.192 1.00 24.10 N ATOM 667 CA ASP A 43 -2.512 1.705 -38.295 1.00 33.24 C ATOM 668 C ASP A 43 -1.020 1.829 -38.585 1.00 21.14 C ATOM 669 O ASP A 43 -0.191 1.247 -37.886 1.00 4.53 O ATOM 670 CB ASP A 43 -3.098 3.081 -37.973 1.00 14.14 C ATOM 671 CG ASP A 43 -3.512 3.839 -39.219 1.00 53.01 C ATOM 672 OD1 ASP A 43 -4.039 3.201 -40.154 1.00 52.23 O ATOM 673 OD2 ASP A 43 -3.307 5.071 -39.259 1.00 4.11 O ATOM 0 H ASP A 43 -2.539 1.162 -36.270 1.00 24.10 H new ATOM 0 HA ASP A 43 -3.004 1.308 -39.183 1.00 33.24 H new ATOM 0 HB2 ASP A 43 -3.963 2.961 -37.320 1.00 14.14 H new ATOM 0 HB3 ASP A 43 -2.362 3.667 -37.423 1.00 14.14 H new ATOM 678 N ALA A 44 -0.685 2.591 -39.621 1.00 11.33 N ATOM 679 CA ALA A 44 0.708 2.792 -40.002 1.00 41.31 C ATOM 680 C ALA A 44 1.494 3.458 -38.879 1.00 2.35 C ATOM 681 O ALA A 44 2.671 3.162 -38.675 1.00 3.31 O ATOM 682 CB ALA A 44 0.792 3.625 -41.273 1.00 54.41 C ATOM 0 H ALA A 44 -1.359 3.079 -40.211 1.00 11.33 H new ATOM 0 HA ALA A 44 1.152 1.814 -40.190 1.00 41.31 H new ATOM 0 HB1 ALA A 44 1.838 3.767 -41.546 1.00 54.41 H new ATOM 0 HB2 ALA A 44 0.273 3.109 -42.081 1.00 54.41 H new ATOM 0 HB3 ALA A 44 0.326 4.596 -41.103 1.00 54.41 H new ATOM 688 N GLU A 45 0.836 4.357 -38.154 1.00 21.11 N ATOM 689 CA GLU A 45 1.476 5.065 -37.052 1.00 32.33 C ATOM 690 C GLU A 45 1.973 4.087 -35.992 1.00 22.11 C ATOM 691 O GLU A 45 3.116 4.168 -35.541 1.00 3.32 O ATOM 692 CB GLU A 45 0.502 6.064 -36.423 1.00 25.10 C ATOM 693 CG GLU A 45 1.188 7.211 -35.701 1.00 65.44 C ATOM 694 CD GLU A 45 1.460 6.901 -34.242 1.00 54.25 C ATOM 695 OE1 GLU A 45 0.495 6.885 -33.449 1.00 31.22 O ATOM 696 OE2 GLU A 45 2.639 6.677 -33.893 1.00 35.42 O ATOM 0 H GLU A 45 -0.139 4.612 -38.310 1.00 21.11 H new ATOM 0 HA GLU A 45 2.333 5.607 -37.452 1.00 32.33 H new ATOM 0 HB2 GLU A 45 -0.142 6.470 -37.203 1.00 25.10 H new ATOM 0 HB3 GLU A 45 -0.142 5.537 -35.720 1.00 25.10 H new ATOM 0 HG2 GLU A 45 2.129 7.440 -36.202 1.00 65.44 H new ATOM 0 HG3 GLU A 45 0.565 8.103 -35.769 1.00 65.44 H new ATOM 703 N THR A 46 1.104 3.161 -35.595 1.00 73.34 N ATOM 704 CA THR A 46 1.452 2.168 -34.588 1.00 14.20 C ATOM 705 C THR A 46 2.503 1.195 -35.113 1.00 20.44 C ATOM 706 O THR A 46 3.501 0.922 -34.445 1.00 51.10 O ATOM 707 CB THR A 46 0.215 1.371 -34.132 1.00 72.32 C ATOM 708 OG1 THR A 46 -0.793 1.408 -35.149 1.00 61.33 O ATOM 709 CG2 THR A 46 -0.345 1.936 -32.836 1.00 1.32 C ATOM 0 H THR A 46 0.154 3.079 -35.957 1.00 73.34 H new ATOM 0 HA THR A 46 1.858 2.713 -33.736 1.00 14.20 H new ATOM 0 HB THR A 46 0.519 0.339 -33.958 1.00 72.32 H new ATOM 0 HG1 THR A 46 -0.374 1.308 -36.029 1.00 61.33 H new ATOM 0 HG21 THR A 46 -1.218 1.357 -32.534 1.00 1.32 H new ATOM 0 HG22 THR A 46 0.415 1.880 -32.057 1.00 1.32 H new ATOM 0 HG23 THR A 46 -0.634 2.976 -32.987 1.00 1.32 H new ATOM 717 N LEU A 47 2.274 0.678 -36.315 1.00 41.05 N ATOM 718 CA LEU A 47 3.202 -0.265 -36.931 1.00 30.54 C ATOM 719 C LEU A 47 4.594 0.346 -37.056 1.00 4.21 C ATOM 720 O LEU A 47 5.586 -0.259 -36.649 1.00 62.44 O ATOM 721 CB LEU A 47 2.691 -0.685 -38.311 1.00 40.43 C ATOM 722 CG LEU A 47 3.104 -2.080 -38.783 1.00 30.21 C ATOM 723 CD1 LEU A 47 4.613 -2.165 -38.941 1.00 72.53 C ATOM 724 CD2 LEU A 47 2.606 -3.140 -37.811 1.00 35.34 C ATOM 0 H LEU A 47 1.455 0.895 -36.882 1.00 41.05 H new ATOM 0 HA LEU A 47 3.267 -1.145 -36.291 1.00 30.54 H new ATOM 0 HB2 LEU A 47 1.602 -0.633 -38.305 1.00 40.43 H new ATOM 0 HB3 LEU A 47 3.041 0.043 -39.043 1.00 40.43 H new ATOM 0 HG LEU A 47 2.648 -2.264 -39.756 1.00 30.21 H new ATOM 0 HD11 LEU A 47 4.888 -3.165 -39.277 1.00 72.53 H new ATOM 0 HD12 LEU A 47 4.944 -1.431 -39.676 1.00 72.53 H new ATOM 0 HD13 LEU A 47 5.091 -1.960 -37.983 1.00 72.53 H new ATOM 0 HD21 LEU A 47 2.909 -4.127 -38.162 1.00 35.34 H new ATOM 0 HD22 LEU A 47 3.033 -2.959 -36.825 1.00 35.34 H new ATOM 0 HD23 LEU A 47 1.519 -3.095 -37.749 1.00 35.34 H new ATOM 736 N ASP A 48 4.660 1.546 -37.620 1.00 1.01 N ATOM 737 CA ASP A 48 5.930 2.241 -37.796 1.00 1.33 C ATOM 738 C ASP A 48 6.596 2.504 -36.449 1.00 4.12 C ATOM 739 O ASP A 48 7.775 2.202 -36.259 1.00 45.52 O ATOM 740 CB ASP A 48 5.716 3.560 -38.540 1.00 15.35 C ATOM 741 CG ASP A 48 7.005 4.119 -39.108 1.00 42.32 C ATOM 742 OD1 ASP A 48 7.451 3.627 -40.166 1.00 12.50 O ATOM 743 OD2 ASP A 48 7.568 5.051 -38.495 1.00 70.50 O ATOM 0 H ASP A 48 3.848 2.059 -37.964 1.00 1.01 H new ATOM 0 HA ASP A 48 6.586 1.603 -38.387 1.00 1.33 H new ATOM 0 HB2 ASP A 48 5.002 3.406 -39.349 1.00 15.35 H new ATOM 0 HB3 ASP A 48 5.275 4.290 -37.861 1.00 15.35 H new ATOM 748 N ARG A 49 5.834 3.070 -35.519 1.00 40.22 N ATOM 749 CA ARG A 49 6.351 3.376 -34.190 1.00 24.55 C ATOM 750 C ARG A 49 6.940 2.129 -33.535 1.00 53.00 C ATOM 751 O ARG A 49 8.016 2.177 -32.939 1.00 73.52 O ATOM 752 CB ARG A 49 5.242 3.953 -33.309 1.00 41.24 C ATOM 753 CG ARG A 49 5.745 4.522 -31.992 1.00 35.00 C ATOM 754 CD ARG A 49 4.620 5.165 -31.197 1.00 53.11 C ATOM 755 NE ARG A 49 4.396 6.554 -31.588 1.00 73.43 N ATOM 756 CZ ARG A 49 5.155 7.564 -31.177 1.00 12.33 C ATOM 757 NH1 ARG A 49 6.181 7.341 -30.368 1.00 1.45 N ATOM 758 NH2 ARG A 49 4.888 8.801 -31.577 1.00 21.11 N ATOM 0 H ARG A 49 4.857 3.326 -35.661 1.00 40.22 H new ATOM 0 HA ARG A 49 7.143 4.117 -34.297 1.00 24.55 H new ATOM 0 HB2 ARG A 49 4.723 4.738 -33.860 1.00 41.24 H new ATOM 0 HB3 ARG A 49 4.510 3.172 -33.102 1.00 41.24 H new ATOM 0 HG2 ARG A 49 6.201 3.727 -31.402 1.00 35.00 H new ATOM 0 HG3 ARG A 49 6.523 5.261 -32.187 1.00 35.00 H new ATOM 0 HD2 ARG A 49 3.702 4.595 -31.342 1.00 53.11 H new ATOM 0 HD3 ARG A 49 4.857 5.122 -30.134 1.00 53.11 H new ATOM 0 HE ARG A 49 3.615 6.760 -32.210 1.00 73.43 H new ATOM 0 HH11 ARG A 49 6.390 6.392 -30.059 1.00 1.45 H new ATOM 0 HH12 ARG A 49 6.762 8.119 -30.054 1.00 1.45 H new ATOM 0 HH21 ARG A 49 4.100 8.977 -32.200 1.00 21.11 H new ATOM 0 HH22 ARG A 49 5.471 9.576 -31.261 1.00 21.11 H new ATOM 772 N PHE A 50 6.227 1.014 -33.650 1.00 52.05 N ATOM 773 CA PHE A 50 6.677 -0.245 -33.069 1.00 23.30 C ATOM 774 C PHE A 50 7.879 -0.797 -33.829 1.00 71.14 C ATOM 775 O PHE A 50 8.739 -1.466 -33.254 1.00 40.10 O ATOM 776 CB PHE A 50 5.541 -1.270 -33.076 1.00 63.44 C ATOM 777 CG PHE A 50 4.552 -1.077 -31.962 1.00 22.12 C ATOM 778 CD1 PHE A 50 4.977 -1.010 -30.645 1.00 32.42 C ATOM 779 CD2 PHE A 50 3.197 -0.962 -32.232 1.00 14.32 C ATOM 780 CE1 PHE A 50 4.069 -0.834 -29.618 1.00 14.22 C ATOM 781 CE2 PHE A 50 2.286 -0.785 -31.209 1.00 41.31 C ATOM 782 CZ PHE A 50 2.721 -0.720 -29.901 1.00 24.45 C ATOM 0 H PHE A 50 5.335 0.957 -34.141 1.00 52.05 H new ATOM 0 HA PHE A 50 6.978 -0.053 -32.039 1.00 23.30 H new ATOM 0 HB2 PHE A 50 5.017 -1.213 -34.030 1.00 63.44 H new ATOM 0 HB3 PHE A 50 5.966 -2.271 -33.005 1.00 63.44 H new ATOM 0 HD1 PHE A 50 6.029 -1.096 -30.418 1.00 32.42 H new ATOM 0 HD2 PHE A 50 2.850 -1.011 -33.254 1.00 14.32 H new ATOM 0 HE1 PHE A 50 4.413 -0.786 -28.595 1.00 14.22 H new ATOM 0 HE2 PHE A 50 1.233 -0.697 -31.433 1.00 41.31 H new ATOM 0 HZ PHE A 50 2.010 -0.580 -29.100 1.00 24.45 H new ATOM 792 N LEU A 51 7.934 -0.511 -35.125 1.00 22.50 N ATOM 793 CA LEU A 51 9.030 -0.978 -35.967 1.00 0.23 C ATOM 794 C LEU A 51 10.339 -0.295 -35.583 1.00 53.31 C ATOM 795 O LEU A 51 11.394 -0.929 -35.541 1.00 22.12 O ATOM 796 CB LEU A 51 8.717 -0.714 -37.440 1.00 24.51 C ATOM 797 CG LEU A 51 9.314 -1.704 -38.441 1.00 22.33 C ATOM 798 CD1 LEU A 51 10.815 -1.832 -38.233 1.00 70.24 C ATOM 799 CD2 LEU A 51 8.639 -3.062 -38.317 1.00 23.22 C ATOM 0 H LEU A 51 7.232 0.042 -35.616 1.00 22.50 H new ATOM 0 HA LEU A 51 9.142 -2.051 -35.813 1.00 0.23 H new ATOM 0 HB2 LEU A 51 7.634 -0.710 -37.566 1.00 24.51 H new ATOM 0 HB3 LEU A 51 9.071 0.285 -37.693 1.00 24.51 H new ATOM 0 HG LEU A 51 9.138 -1.324 -39.447 1.00 22.33 H new ATOM 0 HD11 LEU A 51 11.223 -2.540 -38.954 1.00 70.24 H new ATOM 0 HD12 LEU A 51 11.286 -0.859 -38.374 1.00 70.24 H new ATOM 0 HD13 LEU A 51 11.013 -2.188 -37.222 1.00 70.24 H new ATOM 0 HD21 LEU A 51 9.077 -3.753 -39.037 1.00 23.22 H new ATOM 0 HD22 LEU A 51 8.783 -3.449 -37.308 1.00 23.22 H new ATOM 0 HD23 LEU A 51 7.573 -2.958 -38.517 1.00 23.22 H new ATOM 811 N LYS A 52 10.264 1.002 -35.302 1.00 72.22 N ATOM 812 CA LYS A 52 11.441 1.771 -34.918 1.00 13.04 C ATOM 813 C LYS A 52 11.958 1.330 -33.553 1.00 1.22 C ATOM 814 O LYS A 52 13.150 1.064 -33.384 1.00 22.51 O ATOM 815 CB LYS A 52 11.113 3.266 -34.891 1.00 14.41 C ATOM 816 CG LYS A 52 11.049 3.899 -36.271 1.00 64.25 C ATOM 817 CD LYS A 52 10.142 5.118 -36.283 1.00 12.02 C ATOM 818 CE LYS A 52 10.864 6.354 -35.768 1.00 32.31 C ATOM 819 NZ LYS A 52 10.869 6.414 -34.280 1.00 13.43 N ATOM 0 H LYS A 52 9.399 1.542 -35.333 1.00 72.22 H new ATOM 0 HA LYS A 52 12.220 1.589 -35.659 1.00 13.04 H new ATOM 0 HB2 LYS A 52 10.156 3.411 -34.389 1.00 14.41 H new ATOM 0 HB3 LYS A 52 11.866 3.784 -34.297 1.00 14.41 H new ATOM 0 HG2 LYS A 52 12.052 4.187 -36.587 1.00 64.25 H new ATOM 0 HG3 LYS A 52 10.686 3.167 -36.992 1.00 64.25 H new ATOM 0 HD2 LYS A 52 9.787 5.299 -37.298 1.00 12.02 H new ATOM 0 HD3 LYS A 52 9.263 4.925 -35.667 1.00 12.02 H new ATOM 0 HE2 LYS A 52 11.890 6.354 -36.135 1.00 32.31 H new ATOM 0 HE3 LYS A 52 10.383 7.248 -36.166 1.00 32.31 H new ATOM 0 HZ1 LYS A 52 10.916 7.406 -33.973 1.00 13.43 H new ATOM 0 HZ2 LYS A 52 9.999 5.978 -33.912 1.00 13.43 H new ATOM 0 HZ3 LYS A 52 11.695 5.899 -33.915 1.00 13.43 H new ATOM 833 N THR A 53 11.056 1.250 -32.579 1.00 24.20 N ATOM 834 CA THR A 53 11.421 0.840 -31.229 1.00 34.52 C ATOM 835 C THR A 53 11.830 -0.627 -31.193 1.00 21.14 C ATOM 836 O THR A 53 12.688 -1.024 -30.404 1.00 72.44 O ATOM 837 CB THR A 53 10.261 1.065 -30.241 1.00 24.53 C ATOM 838 OG1 THR A 53 9.029 0.632 -30.827 1.00 13.12 O ATOM 839 CG2 THR A 53 10.157 2.532 -29.852 1.00 64.44 C ATOM 0 H THR A 53 10.066 1.464 -32.701 1.00 24.20 H new ATOM 0 HA THR A 53 12.268 1.457 -30.928 1.00 34.52 H new ATOM 0 HB THR A 53 10.460 0.482 -29.342 1.00 24.53 H new ATOM 0 HG1 THR A 53 8.702 1.318 -31.446 1.00 13.12 H new ATOM 0 HG21 THR A 53 9.331 2.666 -29.154 1.00 64.44 H new ATOM 0 HG22 THR A 53 11.086 2.850 -29.379 1.00 64.44 H new ATOM 0 HG23 THR A 53 9.979 3.133 -30.744 1.00 64.44 H new ATOM 847 N VAL A 54 11.210 -1.431 -32.051 1.00 5.34 N ATOM 848 CA VAL A 54 11.510 -2.857 -32.116 1.00 43.11 C ATOM 849 C VAL A 54 11.453 -3.364 -33.553 1.00 50.42 C ATOM 850 O VAL A 54 10.519 -3.078 -34.302 1.00 41.32 O ATOM 851 CB VAL A 54 10.533 -3.677 -31.254 1.00 32.21 C ATOM 852 CG1 VAL A 54 10.875 -5.158 -31.322 1.00 15.02 C ATOM 853 CG2 VAL A 54 10.548 -3.184 -29.816 1.00 51.22 C ATOM 0 H VAL A 54 10.497 -1.119 -32.711 1.00 5.34 H new ATOM 0 HA VAL A 54 12.520 -2.986 -31.727 1.00 43.11 H new ATOM 0 HB VAL A 54 9.526 -3.542 -31.649 1.00 32.21 H new ATOM 0 HG11 VAL A 54 10.174 -5.722 -30.707 1.00 15.02 H new ATOM 0 HG12 VAL A 54 10.808 -5.500 -32.355 1.00 15.02 H new ATOM 0 HG13 VAL A 54 11.889 -5.315 -30.953 1.00 15.02 H new ATOM 0 HG21 VAL A 54 9.851 -3.775 -29.221 1.00 51.22 H new ATOM 0 HG22 VAL A 54 11.553 -3.287 -29.407 1.00 51.22 H new ATOM 0 HG23 VAL A 54 10.250 -2.136 -29.788 1.00 51.22 H new ATOM 863 N PRO A 55 12.476 -4.137 -33.949 1.00 2.25 N ATOM 864 CA PRO A 55 12.565 -4.702 -35.298 1.00 2.03 C ATOM 865 C PRO A 55 11.523 -5.787 -35.542 1.00 74.41 C ATOM 866 O PRO A 55 11.239 -6.597 -34.659 1.00 51.24 O ATOM 867 CB PRO A 55 13.976 -5.294 -35.342 1.00 33.24 C ATOM 868 CG PRO A 55 14.310 -5.583 -33.920 1.00 34.23 C ATOM 869 CD PRO A 55 13.624 -4.517 -33.109 1.00 62.25 C ATOM 0 HA PRO A 55 12.379 -3.953 -36.067 1.00 2.03 H new ATOM 0 HB2 PRO A 55 14.007 -6.200 -35.948 1.00 33.24 H new ATOM 0 HB3 PRO A 55 14.686 -4.593 -35.781 1.00 33.24 H new ATOM 0 HG2 PRO A 55 13.964 -6.576 -33.632 1.00 34.23 H new ATOM 0 HG3 PRO A 55 15.388 -5.562 -33.760 1.00 34.23 H new ATOM 0 HD2 PRO A 55 13.304 -4.894 -32.138 1.00 62.25 H new ATOM 0 HD3 PRO A 55 14.282 -3.669 -32.920 1.00 62.25 H new ATOM 877 N TRP A 56 10.957 -5.799 -36.744 1.00 2.13 N ATOM 878 CA TRP A 56 9.946 -6.787 -37.103 1.00 72.32 C ATOM 879 C TRP A 56 10.469 -8.203 -36.890 1.00 33.30 C ATOM 880 O TRP A 56 9.697 -9.129 -36.643 1.00 54.31 O ATOM 881 CB TRP A 56 9.518 -6.603 -38.560 1.00 43.12 C ATOM 882 CG TRP A 56 10.661 -6.667 -39.528 1.00 71.25 C ATOM 883 CD1 TRP A 56 11.313 -5.612 -40.098 1.00 71.41 C ATOM 884 CD2 TRP A 56 11.284 -7.850 -40.039 1.00 63.01 C ATOM 885 NE1 TRP A 56 12.304 -6.067 -40.934 1.00 11.50 N ATOM 886 CE2 TRP A 56 12.308 -7.436 -40.914 1.00 54.44 C ATOM 887 CE3 TRP A 56 11.080 -9.218 -39.842 1.00 64.22 C ATOM 888 CZ2 TRP A 56 13.120 -8.342 -41.590 1.00 2.44 C ATOM 889 CZ3 TRP A 56 11.886 -10.116 -40.514 1.00 44.31 C ATOM 890 CH2 TRP A 56 12.897 -9.676 -41.378 1.00 14.15 C ATOM 0 H TRP A 56 11.181 -5.136 -37.486 1.00 2.13 H new ATOM 0 HA TRP A 56 9.082 -6.637 -36.456 1.00 72.32 H new ATOM 0 HB2 TRP A 56 8.790 -7.372 -38.817 1.00 43.12 H new ATOM 0 HB3 TRP A 56 9.016 -5.641 -38.665 1.00 43.12 H new ATOM 0 HD1 TRP A 56 11.084 -4.572 -39.918 1.00 71.41 H new ATOM 0 HE1 TRP A 56 12.934 -5.480 -41.481 1.00 11.50 H new ATOM 0 HE3 TRP A 56 10.305 -9.567 -39.176 1.00 64.22 H new ATOM 0 HZ2 TRP A 56 13.899 -8.005 -42.258 1.00 2.44 H new ATOM 0 HZ3 TRP A 56 11.734 -11.176 -40.371 1.00 44.31 H new ATOM 0 HH2 TRP A 56 13.512 -10.403 -41.887 1.00 14.15 H new ATOM 901 N GLU A 57 11.785 -8.365 -36.987 1.00 24.51 N ATOM 902 CA GLU A 57 12.409 -9.670 -36.804 1.00 64.15 C ATOM 903 C GLU A 57 12.156 -10.202 -35.397 1.00 74.11 C ATOM 904 O GLU A 57 12.147 -11.413 -35.173 1.00 43.02 O ATOM 905 CB GLU A 57 13.914 -9.581 -37.065 1.00 44.32 C ATOM 906 CG GLU A 57 14.685 -8.889 -35.954 1.00 74.32 C ATOM 907 CD GLU A 57 15.941 -8.202 -36.454 1.00 2.22 C ATOM 908 OE1 GLU A 57 16.561 -8.719 -37.407 1.00 73.32 O ATOM 909 OE2 GLU A 57 16.304 -7.148 -35.893 1.00 35.22 O ATOM 0 H GLU A 57 12.439 -7.609 -37.191 1.00 24.51 H new ATOM 0 HA GLU A 57 11.964 -10.361 -37.520 1.00 64.15 H new ATOM 0 HB2 GLU A 57 14.311 -10.587 -37.199 1.00 44.32 H new ATOM 0 HB3 GLU A 57 14.081 -9.046 -38.000 1.00 44.32 H new ATOM 0 HG2 GLU A 57 14.040 -8.153 -35.473 1.00 74.32 H new ATOM 0 HG3 GLU A 57 14.955 -9.622 -35.193 1.00 74.32 H new ATOM 916 N GLN A 58 11.952 -9.289 -34.453 1.00 73.33 N ATOM 917 CA GLN A 58 11.701 -9.666 -33.068 1.00 13.45 C ATOM 918 C GLN A 58 10.364 -9.113 -32.587 1.00 24.32 C ATOM 919 O GLN A 58 10.184 -8.838 -31.400 1.00 52.14 O ATOM 920 CB GLN A 58 12.829 -9.160 -32.166 1.00 52.31 C ATOM 921 CG GLN A 58 14.187 -9.757 -32.498 1.00 2.22 C ATOM 922 CD GLN A 58 15.104 -9.825 -31.293 1.00 73.04 C ATOM 923 OE1 GLN A 58 14.661 -9.694 -30.152 1.00 12.51 O ATOM 924 NE2 GLN A 58 16.393 -10.029 -31.540 1.00 11.14 N ATOM 0 H GLN A 58 11.956 -8.283 -34.622 1.00 73.33 H new ATOM 0 HA GLN A 58 11.664 -10.754 -33.016 1.00 13.45 H new ATOM 0 HB2 GLN A 58 12.889 -8.075 -32.247 1.00 52.31 H new ATOM 0 HB3 GLN A 58 12.584 -9.389 -31.129 1.00 52.31 H new ATOM 0 HG2 GLN A 58 14.050 -10.760 -32.903 1.00 2.22 H new ATOM 0 HG3 GLN A 58 14.661 -9.161 -33.278 1.00 2.22 H new ATOM 0 HE21 GLN A 58 16.718 -10.132 -32.501 1.00 11.14 H new ATOM 0 HE22 GLN A 58 17.058 -10.082 -30.768 1.00 11.14 H new ATOM 933 N LEU A 59 9.427 -8.955 -33.516 1.00 41.15 N ATOM 934 CA LEU A 59 8.104 -8.434 -33.188 1.00 23.12 C ATOM 935 C LEU A 59 7.010 -9.311 -33.788 1.00 51.11 C ATOM 936 O LEU A 59 5.823 -8.997 -33.687 1.00 4.12 O ATOM 937 CB LEU A 59 7.960 -6.998 -33.694 1.00 20.44 C ATOM 938 CG LEU A 59 6.826 -6.180 -33.076 1.00 33.41 C ATOM 939 CD1 LEU A 59 7.192 -5.737 -31.668 1.00 5.54 C ATOM 940 CD2 LEU A 59 6.500 -4.975 -33.948 1.00 61.44 C ATOM 0 H LEU A 59 9.559 -9.180 -34.502 1.00 41.15 H new ATOM 0 HA LEU A 59 7.995 -8.442 -32.103 1.00 23.12 H new ATOM 0 HB2 LEU A 59 8.899 -6.475 -33.514 1.00 20.44 H new ATOM 0 HB3 LEU A 59 7.814 -7.027 -34.774 1.00 20.44 H new ATOM 0 HG LEU A 59 5.940 -6.812 -33.017 1.00 33.41 H new ATOM 0 HD11 LEU A 59 6.373 -5.156 -31.245 1.00 5.54 H new ATOM 0 HD12 LEU A 59 7.374 -6.614 -31.047 1.00 5.54 H new ATOM 0 HD13 LEU A 59 8.092 -5.123 -31.702 1.00 5.54 H new ATOM 0 HD21 LEU A 59 5.691 -4.405 -33.492 1.00 61.44 H new ATOM 0 HD22 LEU A 59 7.383 -4.343 -34.039 1.00 61.44 H new ATOM 0 HD23 LEU A 59 6.193 -5.314 -34.937 1.00 61.44 H new ATOM 952 N LEU A 60 7.416 -10.410 -34.414 1.00 55.45 N ATOM 953 CA LEU A 60 6.470 -11.334 -35.030 1.00 62.31 C ATOM 954 C LEU A 60 6.990 -12.767 -34.968 1.00 44.10 C ATOM 955 O LEU A 60 8.132 -13.039 -35.335 1.00 61.30 O ATOM 956 CB LEU A 60 6.210 -10.935 -36.483 1.00 44.32 C ATOM 957 CG LEU A 60 7.310 -11.290 -37.483 1.00 11.04 C ATOM 958 CD1 LEU A 60 6.999 -12.608 -38.175 1.00 41.24 C ATOM 959 CD2 LEU A 60 7.481 -10.177 -38.507 1.00 71.44 C ATOM 0 H LEU A 60 8.394 -10.683 -34.508 1.00 55.45 H new ATOM 0 HA LEU A 60 5.534 -11.283 -34.473 1.00 62.31 H new ATOM 0 HB2 LEU A 60 5.284 -11.409 -36.809 1.00 44.32 H new ATOM 0 HB3 LEU A 60 6.047 -9.858 -36.520 1.00 44.32 H new ATOM 0 HG LEU A 60 8.247 -11.402 -36.937 1.00 11.04 H new ATOM 0 HD11 LEU A 60 7.794 -12.844 -38.883 1.00 41.24 H new ATOM 0 HD12 LEU A 60 6.929 -13.402 -37.431 1.00 41.24 H new ATOM 0 HD13 LEU A 60 6.052 -12.525 -38.707 1.00 41.24 H new ATOM 0 HD21 LEU A 60 8.268 -10.448 -39.210 1.00 71.44 H new ATOM 0 HD22 LEU A 60 6.545 -10.033 -39.047 1.00 71.44 H new ATOM 0 HD23 LEU A 60 7.752 -9.252 -37.997 1.00 71.44 H new ATOM 971 N ASN A 61 6.142 -13.679 -34.505 1.00 14.22 N ATOM 972 CA ASN A 61 6.515 -15.085 -34.398 1.00 33.24 C ATOM 973 C ASN A 61 7.095 -15.596 -35.713 1.00 54.15 C ATOM 974 O ASN A 61 6.655 -15.200 -36.793 1.00 1.23 O ATOM 975 CB ASN A 61 5.301 -15.928 -34.000 1.00 52.35 C ATOM 976 CG ASN A 61 4.371 -16.188 -35.170 1.00 2.34 C ATOM 977 OD1 ASN A 61 4.065 -15.140 -35.925 1.00 42.20 O flip ATOM 978 ND2 ASN A 61 3.933 -17.317 -35.389 1.00 71.33 N flip ATOM 0 H ASN A 61 5.192 -13.470 -34.198 1.00 14.22 H new ATOM 0 HA ASN A 61 7.279 -15.174 -33.626 1.00 33.24 H new ATOM 0 HB2 ASN A 61 5.641 -16.879 -33.591 1.00 52.35 H new ATOM 0 HB3 ASN A 61 4.752 -15.418 -33.208 1.00 52.35 H new ATOM 0 HD21 ASN A 61 4.196 -18.093 -34.781 1.00 71.33 H new ATOM 0 HD22 ASN A 61 3.307 -17.477 -36.178 1.00 71.33 H new ATOM 985 N ARG A 62 8.084 -16.477 -35.615 1.00 14.43 N ATOM 986 CA ARG A 62 8.725 -17.042 -36.796 1.00 62.32 C ATOM 987 C ARG A 62 8.565 -18.559 -36.828 1.00 71.20 C ATOM 988 O ARG A 62 8.520 -19.166 -37.898 1.00 73.11 O ATOM 989 CB ARG A 62 10.209 -16.674 -36.824 1.00 1.22 C ATOM 990 CG ARG A 62 10.468 -15.212 -37.149 1.00 71.45 C ATOM 991 CD ARG A 62 11.020 -14.463 -35.946 1.00 72.42 C ATOM 992 NE ARG A 62 12.370 -13.961 -36.185 1.00 15.00 N ATOM 993 CZ ARG A 62 13.464 -14.701 -36.048 1.00 45.11 C ATOM 994 NH1 ARG A 62 13.367 -15.970 -35.675 1.00 32.15 N ATOM 995 NH2 ARG A 62 14.659 -14.172 -36.283 1.00 4.03 N ATOM 0 H ARG A 62 8.459 -16.816 -34.729 1.00 14.43 H new ATOM 0 HA ARG A 62 8.238 -16.624 -37.677 1.00 62.32 H new ATOM 0 HB2 ARG A 62 10.650 -16.906 -35.855 1.00 1.22 H new ATOM 0 HB3 ARG A 62 10.715 -17.297 -37.562 1.00 1.22 H new ATOM 0 HG2 ARG A 62 11.173 -15.142 -37.977 1.00 71.45 H new ATOM 0 HG3 ARG A 62 9.541 -14.742 -37.478 1.00 71.45 H new ATOM 0 HD2 ARG A 62 10.361 -13.629 -35.705 1.00 72.42 H new ATOM 0 HD3 ARG A 62 11.027 -15.124 -35.080 1.00 72.42 H new ATOM 0 HE ARG A 62 12.479 -12.989 -36.473 1.00 15.00 H new ATOM 0 HH11 ARG A 62 12.451 -16.379 -35.493 1.00 32.15 H new ATOM 0 HH12 ARG A 62 14.209 -16.537 -35.570 1.00 32.15 H new ATOM 0 HH21 ARG A 62 14.737 -13.196 -36.569 1.00 4.03 H new ATOM 0 HH22 ARG A 62 15.499 -14.742 -36.177 1.00 4.03 H new ATOM 1009 N ALA A 63 8.482 -19.165 -35.649 1.00 13.41 N ATOM 1010 CA ALA A 63 8.325 -20.610 -35.541 1.00 11.25 C ATOM 1011 C ALA A 63 6.856 -20.996 -35.409 1.00 40.23 C ATOM 1012 O ALA A 63 6.522 -22.005 -34.789 1.00 15.22 O ATOM 1013 CB ALA A 63 9.121 -21.141 -34.358 1.00 4.01 C ATOM 0 H ALA A 63 8.521 -18.677 -34.754 1.00 13.41 H new ATOM 0 HA ALA A 63 8.710 -21.061 -36.456 1.00 11.25 H new ATOM 0 HB1 ALA A 63 8.994 -22.221 -34.290 1.00 4.01 H new ATOM 0 HB2 ALA A 63 10.177 -20.907 -34.496 1.00 4.01 H new ATOM 0 HB3 ALA A 63 8.763 -20.675 -33.440 1.00 4.01 H new ATOM 1019 N GLY A 64 5.981 -20.184 -35.995 1.00 15.42 N ATOM 1020 CA GLY A 64 4.556 -20.458 -35.930 1.00 64.14 C ATOM 1021 C GLY A 64 3.958 -20.739 -37.293 1.00 10.02 C ATOM 1022 O GLY A 64 4.600 -20.519 -38.320 1.00 62.15 O ATOM 0 H GLY A 64 6.233 -19.342 -36.513 1.00 15.42 H new ATOM 0 HA2 GLY A 64 4.383 -21.314 -35.277 1.00 64.14 H new ATOM 0 HA3 GLY A 64 4.045 -19.606 -35.481 1.00 64.14 H new ATOM 1026 N THR A 65 2.721 -21.228 -37.305 1.00 32.42 N ATOM 1027 CA THR A 65 2.036 -21.544 -38.552 1.00 14.14 C ATOM 1028 C THR A 65 2.048 -20.352 -39.502 1.00 2.22 C ATOM 1029 O THR A 65 2.073 -20.517 -40.723 1.00 74.54 O ATOM 1030 CB THR A 65 0.577 -21.969 -38.298 1.00 43.52 C ATOM 1031 OG1 THR A 65 -0.138 -22.028 -39.538 1.00 71.44 O ATOM 1032 CG2 THR A 65 -0.114 -20.997 -37.355 1.00 24.43 C ATOM 0 H THR A 65 2.174 -21.414 -36.465 1.00 32.42 H new ATOM 0 HA THR A 65 2.575 -22.374 -39.008 1.00 14.14 H new ATOM 0 HB THR A 65 0.584 -22.956 -37.835 1.00 43.52 H new ATOM 0 HG1 THR A 65 -1.064 -22.300 -39.369 1.00 71.44 H new ATOM 0 HG21 THR A 65 -1.143 -21.318 -37.191 1.00 24.43 H new ATOM 0 HG22 THR A 65 0.416 -20.975 -36.403 1.00 24.43 H new ATOM 0 HG23 THR A 65 -0.111 -19.999 -37.794 1.00 24.43 H new ATOM 1040 N THR A 66 2.031 -19.149 -38.936 1.00 75.01 N ATOM 1041 CA THR A 66 2.040 -17.929 -39.733 1.00 24.34 C ATOM 1042 C THR A 66 3.192 -17.933 -40.732 1.00 70.12 C ATOM 1043 O THR A 66 2.993 -17.703 -41.925 1.00 31.44 O ATOM 1044 CB THR A 66 2.153 -16.677 -38.843 1.00 53.23 C ATOM 1045 OG1 THR A 66 3.130 -16.890 -37.819 1.00 11.42 O ATOM 1046 CG2 THR A 66 0.811 -16.342 -38.209 1.00 2.54 C ATOM 0 H THR A 66 2.011 -18.994 -37.928 1.00 75.01 H new ATOM 0 HA THR A 66 1.094 -17.898 -40.273 1.00 24.34 H new ATOM 0 HB THR A 66 2.461 -15.840 -39.469 1.00 53.23 H new ATOM 0 HG1 THR A 66 3.328 -16.040 -37.374 1.00 11.42 H new ATOM 0 HG21 THR A 66 0.915 -15.454 -37.585 1.00 2.54 H new ATOM 0 HG22 THR A 66 0.076 -16.151 -38.991 1.00 2.54 H new ATOM 0 HG23 THR A 66 0.479 -17.180 -37.596 1.00 2.54 H new ATOM 1054 N PHE A 67 4.397 -18.196 -40.237 1.00 31.33 N ATOM 1055 CA PHE A 67 5.582 -18.230 -41.087 1.00 51.22 C ATOM 1056 C PHE A 67 5.513 -19.395 -42.070 1.00 2.20 C ATOM 1057 O PHE A 67 5.981 -19.292 -43.204 1.00 62.22 O ATOM 1058 CB PHE A 67 6.846 -18.343 -40.232 1.00 14.00 C ATOM 1059 CG PHE A 67 8.114 -18.125 -41.005 1.00 64.31 C ATOM 1060 CD1 PHE A 67 8.625 -19.122 -41.820 1.00 12.13 C ATOM 1061 CD2 PHE A 67 8.795 -16.921 -40.919 1.00 15.52 C ATOM 1062 CE1 PHE A 67 9.793 -18.923 -42.532 1.00 72.43 C ATOM 1063 CE2 PHE A 67 9.963 -16.716 -41.628 1.00 33.54 C ATOM 1064 CZ PHE A 67 10.462 -17.718 -42.438 1.00 75.02 C ATOM 0 H PHE A 67 4.579 -18.389 -39.252 1.00 31.33 H new ATOM 0 HA PHE A 67 5.618 -17.300 -41.655 1.00 51.22 H new ATOM 0 HB2 PHE A 67 6.794 -17.615 -39.423 1.00 14.00 H new ATOM 0 HB3 PHE A 67 6.876 -19.330 -39.771 1.00 14.00 H new ATOM 0 HD1 PHE A 67 8.105 -20.065 -41.900 1.00 12.13 H new ATOM 0 HD2 PHE A 67 8.408 -16.133 -40.290 1.00 15.52 H new ATOM 0 HE1 PHE A 67 10.182 -19.709 -43.162 1.00 72.43 H new ATOM 0 HE2 PHE A 67 10.485 -15.774 -41.549 1.00 33.54 H new ATOM 0 HZ PHE A 67 11.373 -17.560 -42.996 1.00 75.02 H new ATOM 1074 N ARG A 68 4.924 -20.502 -41.627 1.00 35.20 N ATOM 1075 CA ARG A 68 4.795 -21.686 -42.466 1.00 13.24 C ATOM 1076 C ARG A 68 3.681 -21.507 -43.492 1.00 42.44 C ATOM 1077 O ARG A 68 3.487 -22.350 -44.369 1.00 51.04 O ATOM 1078 CB ARG A 68 4.517 -22.919 -41.605 1.00 65.20 C ATOM 1079 CG ARG A 68 5.774 -23.647 -41.157 1.00 50.00 C ATOM 1080 CD ARG A 68 5.489 -25.103 -40.830 1.00 44.21 C ATOM 1081 NE ARG A 68 4.969 -25.832 -41.984 1.00 1.04 N ATOM 1082 CZ ARG A 68 4.750 -27.142 -41.988 1.00 43.45 C ATOM 1083 NH1 ARG A 68 5.005 -27.864 -40.905 1.00 73.52 N ATOM 1084 NH2 ARG A 68 4.275 -27.733 -43.078 1.00 33.20 N ATOM 0 H ARG A 68 4.529 -20.602 -40.692 1.00 35.20 H new ATOM 0 HA ARG A 68 5.736 -21.827 -42.998 1.00 13.24 H new ATOM 0 HB2 ARG A 68 3.950 -22.616 -40.725 1.00 65.20 H new ATOM 0 HB3 ARG A 68 3.889 -23.610 -42.167 1.00 65.20 H new ATOM 0 HG2 ARG A 68 6.528 -23.590 -41.942 1.00 50.00 H new ATOM 0 HG3 ARG A 68 6.190 -23.151 -40.280 1.00 50.00 H new ATOM 0 HD2 ARG A 68 6.404 -25.582 -40.481 1.00 44.21 H new ATOM 0 HD3 ARG A 68 4.769 -25.157 -40.013 1.00 44.21 H new ATOM 0 HE ARG A 68 4.763 -25.306 -42.833 1.00 1.04 H new ATOM 0 HH11 ARG A 68 5.370 -27.413 -40.066 1.00 73.52 H new ATOM 0 HH12 ARG A 68 4.836 -28.870 -40.911 1.00 73.52 H new ATOM 0 HH21 ARG A 68 4.078 -27.181 -43.913 1.00 33.20 H new ATOM 0 HH22 ARG A 68 4.107 -28.739 -43.081 1.00 33.20 H new ATOM 1098 N LYS A 69 2.949 -20.404 -43.376 1.00 73.43 N ATOM 1099 CA LYS A 69 1.853 -20.112 -44.293 1.00 73.42 C ATOM 1100 C LYS A 69 2.371 -19.911 -45.713 1.00 41.12 C ATOM 1101 O LYS A 69 1.894 -20.546 -46.655 1.00 52.53 O ATOM 1102 CB LYS A 69 1.095 -18.865 -43.833 1.00 31.13 C ATOM 1103 CG LYS A 69 -0.218 -18.648 -44.564 1.00 71.24 C ATOM 1104 CD LYS A 69 -1.324 -19.525 -43.999 1.00 50.32 C ATOM 1105 CE LYS A 69 -2.441 -19.734 -45.009 1.00 72.15 C ATOM 1106 NZ LYS A 69 -3.696 -20.201 -44.359 1.00 71.33 N ATOM 0 H LYS A 69 3.095 -19.697 -42.655 1.00 73.43 H new ATOM 0 HA LYS A 69 1.173 -20.964 -44.291 1.00 73.42 H new ATOM 0 HB2 LYS A 69 0.897 -18.944 -42.764 1.00 31.13 H new ATOM 0 HB3 LYS A 69 1.730 -17.991 -43.976 1.00 31.13 H new ATOM 0 HG2 LYS A 69 -0.509 -17.600 -44.488 1.00 71.24 H new ATOM 0 HG3 LYS A 69 -0.086 -18.866 -45.624 1.00 71.24 H new ATOM 0 HD2 LYS A 69 -0.911 -20.490 -43.707 1.00 50.32 H new ATOM 0 HD3 LYS A 69 -1.729 -19.066 -43.097 1.00 50.32 H new ATOM 0 HE2 LYS A 69 -2.632 -18.800 -45.538 1.00 72.15 H new ATOM 0 HE3 LYS A 69 -2.125 -20.464 -45.754 1.00 72.15 H new ATOM 0 HZ1 LYS A 69 -4.433 -20.332 -45.081 1.00 71.33 H new ATOM 0 HZ2 LYS A 69 -3.521 -21.105 -43.875 1.00 71.33 H new ATOM 0 HZ3 LYS A 69 -4.012 -19.493 -43.666 1.00 71.33 H new ATOM 1120 N LEU A 70 3.349 -19.025 -45.860 1.00 1.50 N ATOM 1121 CA LEU A 70 3.933 -18.741 -47.167 1.00 30.25 C ATOM 1122 C LEU A 70 5.025 -19.751 -47.507 1.00 52.51 C ATOM 1123 O LEU A 70 5.594 -20.405 -46.632 1.00 53.44 O ATOM 1124 CB LEU A 70 4.509 -17.324 -47.193 1.00 30.13 C ATOM 1125 CG LEU A 70 3.512 -16.201 -47.481 1.00 75.04 C ATOM 1126 CD1 LEU A 70 2.934 -16.344 -48.880 1.00 23.34 C ATOM 1127 CD2 LEU A 70 2.401 -16.194 -46.440 1.00 52.00 C ATOM 0 H LEU A 70 3.755 -18.491 -45.092 1.00 1.50 H new ATOM 0 HA LEU A 70 3.144 -18.821 -47.915 1.00 30.25 H new ATOM 0 HB2 LEU A 70 4.980 -17.127 -46.230 1.00 30.13 H new ATOM 0 HB3 LEU A 70 5.296 -17.287 -47.946 1.00 30.13 H new ATOM 0 HG LEU A 70 4.041 -15.249 -47.426 1.00 75.04 H new ATOM 0 HD11 LEU A 70 2.227 -15.536 -49.066 1.00 23.34 H new ATOM 0 HD12 LEU A 70 3.739 -16.297 -49.613 1.00 23.34 H new ATOM 0 HD13 LEU A 70 2.421 -17.302 -48.965 1.00 23.34 H new ATOM 0 HD21 LEU A 70 1.701 -15.388 -46.661 1.00 52.00 H new ATOM 0 HD22 LEU A 70 1.875 -17.148 -46.463 1.00 52.00 H new ATOM 0 HD23 LEU A 70 2.831 -16.040 -45.450 1.00 52.00 H new ATOM 1139 N PRO A 71 5.328 -19.881 -48.807 1.00 40.12 N ATOM 1140 CA PRO A 71 6.355 -20.808 -49.291 1.00 21.41 C ATOM 1141 C PRO A 71 7.762 -20.365 -48.908 1.00 4.43 C ATOM 1142 O PRO A 71 7.943 -19.328 -48.271 1.00 61.04 O ATOM 1143 CB PRO A 71 6.177 -20.770 -50.812 1.00 10.33 C ATOM 1144 CG PRO A 71 5.563 -19.441 -51.088 1.00 64.15 C ATOM 1145 CD PRO A 71 4.690 -19.135 -49.904 1.00 72.42 C ATOM 0 HA PRO A 71 6.243 -21.803 -48.859 1.00 21.41 H new ATOM 0 HB2 PRO A 71 7.132 -20.879 -51.325 1.00 10.33 H new ATOM 0 HB3 PRO A 71 5.536 -21.582 -51.156 1.00 10.33 H new ATOM 0 HG2 PRO A 71 6.329 -18.676 -51.216 1.00 64.15 H new ATOM 0 HG3 PRO A 71 4.979 -19.464 -52.008 1.00 64.15 H new ATOM 0 HD2 PRO A 71 4.656 -18.066 -49.696 1.00 72.42 H new ATOM 0 HD3 PRO A 71 3.663 -19.461 -50.067 1.00 72.42 H new ATOM 1153 N GLU A 72 8.755 -21.157 -49.302 1.00 64.42 N ATOM 1154 CA GLU A 72 10.146 -20.845 -48.998 1.00 2.33 C ATOM 1155 C GLU A 72 10.630 -19.655 -49.823 1.00 32.21 C ATOM 1156 O GLU A 72 11.532 -18.926 -49.411 1.00 64.11 O ATOM 1157 CB GLU A 72 11.036 -22.060 -49.268 1.00 3.30 C ATOM 1158 CG GLU A 72 10.793 -23.216 -48.311 1.00 14.02 C ATOM 1159 CD GLU A 72 11.309 -22.933 -46.913 1.00 23.34 C ATOM 1160 OE1 GLU A 72 12.535 -22.761 -46.756 1.00 4.25 O ATOM 1161 OE2 GLU A 72 10.484 -22.883 -45.976 1.00 2.14 O ATOM 0 H GLU A 72 8.622 -22.018 -49.832 1.00 64.42 H new ATOM 0 HA GLU A 72 10.210 -20.584 -47.942 1.00 2.33 H new ATOM 0 HB2 GLU A 72 10.869 -22.403 -50.289 1.00 3.30 H new ATOM 0 HB3 GLU A 72 12.081 -21.757 -49.201 1.00 3.30 H new ATOM 0 HG2 GLU A 72 9.724 -23.426 -48.264 1.00 14.02 H new ATOM 0 HG3 GLU A 72 11.277 -24.112 -48.699 1.00 14.02 H new ATOM 1168 N ASP A 73 10.023 -19.466 -50.989 1.00 54.44 N ATOM 1169 CA ASP A 73 10.390 -18.365 -51.873 1.00 22.54 C ATOM 1170 C ASP A 73 9.896 -17.033 -51.315 1.00 73.43 C ATOM 1171 O ASP A 73 10.662 -16.079 -51.187 1.00 20.35 O ATOM 1172 CB ASP A 73 9.815 -18.591 -53.271 1.00 11.40 C ATOM 1173 CG ASP A 73 10.639 -19.570 -54.084 1.00 35.22 C ATOM 1174 OD1 ASP A 73 11.429 -20.325 -53.481 1.00 60.34 O ATOM 1175 OD2 ASP A 73 10.495 -19.579 -55.325 1.00 64.21 O ATOM 0 H ASP A 73 9.274 -20.061 -51.345 1.00 54.44 H new ATOM 0 HA ASP A 73 11.478 -18.331 -51.938 1.00 22.54 H new ATOM 0 HB2 ASP A 73 8.794 -18.963 -53.185 1.00 11.40 H new ATOM 0 HB3 ASP A 73 9.764 -17.638 -53.798 1.00 11.40 H new ATOM 1180 N VAL A 74 8.609 -16.976 -50.986 1.00 22.21 N ATOM 1181 CA VAL A 74 8.011 -15.763 -50.442 1.00 51.24 C ATOM 1182 C VAL A 74 8.693 -15.350 -49.142 1.00 71.30 C ATOM 1183 O VAL A 74 9.052 -14.186 -48.960 1.00 64.14 O ATOM 1184 CB VAL A 74 6.504 -15.945 -50.184 1.00 4.32 C ATOM 1185 CG1 VAL A 74 5.937 -14.737 -49.457 1.00 2.42 C ATOM 1186 CG2 VAL A 74 5.765 -16.187 -51.492 1.00 20.32 C ATOM 0 H VAL A 74 7.960 -17.757 -51.087 1.00 22.21 H new ATOM 0 HA VAL A 74 8.151 -14.980 -51.187 1.00 51.24 H new ATOM 0 HB VAL A 74 6.365 -16.819 -49.548 1.00 4.32 H new ATOM 0 HG11 VAL A 74 4.871 -14.884 -49.284 1.00 2.42 H new ATOM 0 HG12 VAL A 74 6.447 -14.615 -48.501 1.00 2.42 H new ATOM 0 HG13 VAL A 74 6.086 -13.844 -50.064 1.00 2.42 H new ATOM 0 HG21 VAL A 74 4.701 -16.313 -51.291 1.00 20.32 H new ATOM 0 HG22 VAL A 74 5.910 -15.334 -52.155 1.00 20.32 H new ATOM 0 HG23 VAL A 74 6.154 -17.087 -51.968 1.00 20.32 H new ATOM 1196 N ARG A 75 8.867 -16.311 -48.241 1.00 32.22 N ATOM 1197 CA ARG A 75 9.504 -16.047 -46.957 1.00 2.22 C ATOM 1198 C ARG A 75 10.973 -15.678 -47.144 1.00 43.01 C ATOM 1199 O ARG A 75 11.575 -15.031 -46.287 1.00 52.32 O ATOM 1200 CB ARG A 75 9.386 -17.269 -46.044 1.00 70.20 C ATOM 1201 CG ARG A 75 7.957 -17.746 -45.845 1.00 33.21 C ATOM 1202 CD ARG A 75 7.280 -17.013 -44.697 1.00 64.25 C ATOM 1203 NE ARG A 75 7.112 -15.590 -44.979 1.00 60.01 N ATOM 1204 CZ ARG A 75 6.926 -14.672 -44.038 1.00 52.41 C ATOM 1205 NH1 ARG A 75 6.886 -15.025 -42.761 1.00 43.22 N ATOM 1206 NH2 ARG A 75 6.780 -13.396 -44.374 1.00 22.23 N ATOM 0 H ARG A 75 8.576 -17.279 -48.377 1.00 32.22 H new ATOM 0 HA ARG A 75 8.992 -15.204 -46.493 1.00 2.22 H new ATOM 0 HB2 ARG A 75 9.977 -18.083 -46.463 1.00 70.20 H new ATOM 0 HB3 ARG A 75 9.818 -17.029 -45.073 1.00 70.20 H new ATOM 0 HG2 ARG A 75 7.389 -17.591 -46.762 1.00 33.21 H new ATOM 0 HG3 ARG A 75 7.954 -18.818 -45.646 1.00 33.21 H new ATOM 0 HD2 ARG A 75 6.305 -17.462 -44.505 1.00 64.25 H new ATOM 0 HD3 ARG A 75 7.872 -17.135 -43.790 1.00 64.25 H new ATOM 0 HE ARG A 75 7.139 -15.285 -45.952 1.00 60.01 H new ATOM 0 HH11 ARG A 75 6.998 -16.004 -42.499 1.00 43.22 H new ATOM 0 HH12 ARG A 75 6.743 -14.317 -42.040 1.00 43.22 H new ATOM 0 HH21 ARG A 75 6.811 -13.120 -45.356 1.00 22.23 H new ATOM 0 HH22 ARG A 75 6.637 -12.691 -43.651 1.00 22.23 H new ATOM 1220 N SER A 76 11.543 -16.094 -48.270 1.00 13.42 N ATOM 1221 CA SER A 76 12.942 -15.811 -48.568 1.00 72.25 C ATOM 1222 C SER A 76 13.115 -14.375 -49.051 1.00 24.11 C ATOM 1223 O SER A 76 14.202 -13.805 -48.961 1.00 72.30 O ATOM 1224 CB SER A 76 13.467 -16.784 -49.626 1.00 52.34 C ATOM 1225 OG SER A 76 14.609 -16.259 -50.281 1.00 11.12 O ATOM 0 H SER A 76 11.058 -16.628 -48.991 1.00 13.42 H new ATOM 0 HA SER A 76 13.516 -15.939 -47.650 1.00 72.25 H new ATOM 0 HB2 SER A 76 13.718 -17.735 -49.157 1.00 52.34 H new ATOM 0 HB3 SER A 76 12.685 -16.986 -50.358 1.00 52.34 H new ATOM 0 HG SER A 76 14.926 -16.900 -50.951 1.00 11.12 H new ATOM 1231 N ASN A 77 12.035 -13.796 -49.565 1.00 61.11 N ATOM 1232 CA ASN A 77 12.066 -12.426 -50.064 1.00 63.22 C ATOM 1233 C ASN A 77 11.601 -11.446 -48.991 1.00 4.51 C ATOM 1234 O ASN A 77 11.171 -10.333 -49.295 1.00 30.21 O ATOM 1235 CB ASN A 77 11.185 -12.294 -51.307 1.00 34.15 C ATOM 1236 CG ASN A 77 11.858 -12.836 -52.553 1.00 2.31 C ATOM 1237 OD1 ASN A 77 13.019 -12.531 -52.828 1.00 62.33 O ATOM 1238 ND2 ASN A 77 11.131 -13.645 -53.314 1.00 63.33 N ATOM 0 H ASN A 77 11.127 -14.254 -49.647 1.00 61.11 H new ATOM 0 HA ASN A 77 13.095 -12.185 -50.329 1.00 63.22 H new ATOM 0 HB2 ASN A 77 10.248 -12.826 -51.143 1.00 34.15 H new ATOM 0 HB3 ASN A 77 10.933 -11.245 -51.461 1.00 34.15 H new ATOM 0 HD21 ASN A 77 11.531 -14.041 -54.165 1.00 63.33 H new ATOM 0 HD22 ASN A 77 10.173 -13.871 -53.048 1.00 63.33 H new ATOM 1245 N VAL A 78 11.691 -11.867 -47.733 1.00 54.35 N ATOM 1246 CA VAL A 78 11.282 -11.027 -46.615 1.00 25.14 C ATOM 1247 C VAL A 78 12.283 -9.903 -46.377 1.00 53.34 C ATOM 1248 O VAL A 78 13.488 -10.138 -46.297 1.00 13.31 O ATOM 1249 CB VAL A 78 11.132 -11.848 -45.321 1.00 24.53 C ATOM 1250 CG1 VAL A 78 12.458 -12.486 -44.935 1.00 61.22 C ATOM 1251 CG2 VAL A 78 10.604 -10.975 -44.193 1.00 61.01 C ATOM 0 H VAL A 78 12.044 -12.785 -47.463 1.00 54.35 H new ATOM 0 HA VAL A 78 10.315 -10.599 -46.879 1.00 25.14 H new ATOM 0 HB VAL A 78 10.411 -12.645 -45.501 1.00 24.53 H new ATOM 0 HG11 VAL A 78 12.331 -13.062 -44.018 1.00 61.22 H new ATOM 0 HG12 VAL A 78 12.791 -13.147 -45.736 1.00 61.22 H new ATOM 0 HG13 VAL A 78 13.203 -11.707 -44.774 1.00 61.22 H new ATOM 0 HG21 VAL A 78 10.504 -11.572 -43.287 1.00 61.01 H new ATOM 0 HG22 VAL A 78 11.298 -10.154 -44.012 1.00 61.01 H new ATOM 0 HG23 VAL A 78 9.630 -10.572 -44.470 1.00 61.01 H new ATOM 1261 N ASP A 79 11.776 -8.680 -46.263 1.00 75.02 N ATOM 1262 CA ASP A 79 12.626 -7.518 -46.032 1.00 32.13 C ATOM 1263 C ASP A 79 11.955 -6.535 -45.076 1.00 22.35 C ATOM 1264 O ASP A 79 10.889 -6.816 -44.530 1.00 11.20 O ATOM 1265 CB ASP A 79 12.946 -6.822 -47.356 1.00 14.11 C ATOM 1266 CG ASP A 79 13.268 -7.806 -48.464 1.00 70.21 C ATOM 1267 OD1 ASP A 79 14.316 -8.479 -48.374 1.00 12.03 O ATOM 1268 OD2 ASP A 79 12.472 -7.903 -49.420 1.00 63.45 O ATOM 0 H ASP A 79 10.780 -8.468 -46.327 1.00 75.02 H new ATOM 0 HA ASP A 79 13.555 -7.863 -45.578 1.00 32.13 H new ATOM 0 HB2 ASP A 79 12.097 -6.208 -47.655 1.00 14.11 H new ATOM 0 HB3 ASP A 79 13.792 -6.149 -47.214 1.00 14.11 H new ATOM 1273 N ALA A 80 12.589 -5.384 -44.879 1.00 44.44 N ATOM 1274 CA ALA A 80 12.053 -4.360 -43.990 1.00 1.03 C ATOM 1275 C ALA A 80 10.715 -3.836 -44.500 1.00 60.14 C ATOM 1276 O ALA A 80 9.698 -3.932 -43.813 1.00 3.35 O ATOM 1277 CB ALA A 80 13.048 -3.218 -43.842 1.00 43.13 C ATOM 0 H ALA A 80 13.474 -5.137 -45.323 1.00 44.44 H new ATOM 0 HA ALA A 80 11.887 -4.812 -43.012 1.00 1.03 H new ATOM 0 HB1 ALA A 80 12.636 -2.460 -43.176 1.00 43.13 H new ATOM 0 HB2 ALA A 80 13.980 -3.599 -43.425 1.00 43.13 H new ATOM 0 HB3 ALA A 80 13.242 -2.775 -44.819 1.00 43.13 H new ATOM 1283 N ALA A 81 10.723 -3.281 -45.707 1.00 21.32 N ATOM 1284 CA ALA A 81 9.509 -2.744 -46.309 1.00 55.31 C ATOM 1285 C ALA A 81 8.379 -3.765 -46.271 1.00 31.04 C ATOM 1286 O ALA A 81 7.315 -3.509 -45.707 1.00 33.41 O ATOM 1287 CB ALA A 81 9.779 -2.305 -47.740 1.00 13.35 C ATOM 0 H ALA A 81 11.557 -3.191 -46.287 1.00 21.32 H new ATOM 0 HA ALA A 81 9.198 -1.876 -45.727 1.00 55.31 H new ATOM 0 HB1 ALA A 81 8.864 -1.906 -48.177 1.00 13.35 H new ATOM 0 HB2 ALA A 81 10.549 -1.534 -47.745 1.00 13.35 H new ATOM 0 HB3 ALA A 81 10.118 -3.160 -48.325 1.00 13.35 H new ATOM 1293 N SER A 82 8.614 -4.926 -46.876 1.00 54.12 N ATOM 1294 CA SER A 82 7.614 -5.985 -46.915 1.00 14.13 C ATOM 1295 C SER A 82 7.126 -6.325 -45.510 1.00 30.51 C ATOM 1296 O SER A 82 5.928 -6.469 -45.275 1.00 1.33 O ATOM 1297 CB SER A 82 8.189 -7.235 -47.585 1.00 73.02 C ATOM 1298 OG SER A 82 9.439 -6.958 -48.192 1.00 11.21 O ATOM 0 H SER A 82 9.490 -5.156 -47.346 1.00 54.12 H new ATOM 0 HA SER A 82 6.765 -5.627 -47.498 1.00 14.13 H new ATOM 0 HB2 SER A 82 8.308 -8.026 -46.845 1.00 73.02 H new ATOM 0 HB3 SER A 82 7.490 -7.603 -48.336 1.00 73.02 H new ATOM 0 HG SER A 82 9.787 -7.773 -48.612 1.00 11.21 H new ATOM 1304 N ALA A 83 8.067 -6.452 -44.580 1.00 34.11 N ATOM 1305 CA ALA A 83 7.736 -6.773 -43.197 1.00 62.10 C ATOM 1306 C ALA A 83 6.709 -5.794 -42.637 1.00 53.55 C ATOM 1307 O ALA A 83 5.706 -6.200 -42.050 1.00 1.10 O ATOM 1308 CB ALA A 83 8.992 -6.772 -42.339 1.00 14.31 C ATOM 0 H ALA A 83 9.065 -6.337 -44.759 1.00 34.11 H new ATOM 0 HA ALA A 83 7.297 -7.771 -43.177 1.00 62.10 H new ATOM 0 HB1 ALA A 83 8.729 -7.013 -41.309 1.00 14.31 H new ATOM 0 HB2 ALA A 83 9.693 -7.516 -42.719 1.00 14.31 H new ATOM 0 HB3 ALA A 83 9.456 -5.786 -42.374 1.00 14.31 H new ATOM 1314 N ARG A 84 6.967 -4.503 -42.821 1.00 14.24 N ATOM 1315 CA ARG A 84 6.066 -3.467 -42.332 1.00 42.23 C ATOM 1316 C ARG A 84 4.695 -3.585 -42.990 1.00 55.53 C ATOM 1317 O ARG A 84 3.666 -3.499 -42.320 1.00 43.13 O ATOM 1318 CB ARG A 84 6.656 -2.081 -42.601 1.00 72.41 C ATOM 1319 CG ARG A 84 7.633 -1.617 -41.532 1.00 43.35 C ATOM 1320 CD ARG A 84 8.182 -0.233 -41.844 1.00 30.14 C ATOM 1321 NE ARG A 84 7.118 0.739 -42.078 1.00 24.42 N ATOM 1322 CZ ARG A 84 7.327 1.951 -42.578 1.00 23.24 C ATOM 1323 NH1 ARG A 84 8.556 2.339 -42.894 1.00 30.24 N ATOM 1324 NH2 ARG A 84 6.307 2.779 -42.762 1.00 14.35 N ATOM 0 H ARG A 84 7.793 -4.150 -43.305 1.00 14.24 H new ATOM 0 HA ARG A 84 5.946 -3.601 -41.257 1.00 42.23 H new ATOM 0 HB2 ARG A 84 7.164 -2.093 -43.565 1.00 72.41 H new ATOM 0 HB3 ARG A 84 5.844 -1.358 -42.677 1.00 72.41 H new ATOM 0 HG2 ARG A 84 7.134 -1.602 -40.563 1.00 43.35 H new ATOM 0 HG3 ARG A 84 8.456 -2.328 -41.456 1.00 43.35 H new ATOM 0 HD2 ARG A 84 8.805 0.105 -41.016 1.00 30.14 H new ATOM 0 HD3 ARG A 84 8.823 -0.287 -42.724 1.00 30.14 H new ATOM 0 HE ARG A 84 6.162 0.472 -41.845 1.00 24.42 H new ATOM 0 HH11 ARG A 84 9.343 1.706 -42.753 1.00 30.24 H new ATOM 0 HH12 ARG A 84 8.714 3.271 -43.278 1.00 30.24 H new ATOM 0 HH21 ARG A 84 5.361 2.485 -42.519 1.00 14.35 H new ATOM 0 HH22 ARG A 84 6.469 3.710 -43.146 1.00 14.35 H new ATOM 1338 N GLU A 85 4.689 -3.780 -44.305 1.00 51.11 N ATOM 1339 CA GLU A 85 3.444 -3.908 -45.052 1.00 55.12 C ATOM 1340 C GLU A 85 2.649 -5.123 -44.582 1.00 1.33 C ATOM 1341 O GLU A 85 1.430 -5.058 -44.421 1.00 32.23 O ATOM 1342 CB GLU A 85 3.732 -4.021 -46.551 1.00 75.34 C ATOM 1343 CG GLU A 85 4.479 -2.826 -47.119 1.00 45.21 C ATOM 1344 CD GLU A 85 3.847 -2.294 -48.391 1.00 21.03 C ATOM 1345 OE1 GLU A 85 3.401 -3.115 -49.220 1.00 3.32 O ATOM 1346 OE2 GLU A 85 3.798 -1.058 -48.557 1.00 42.31 O ATOM 0 H GLU A 85 5.532 -3.853 -44.874 1.00 51.11 H new ATOM 0 HA GLU A 85 2.848 -3.014 -44.870 1.00 55.12 H new ATOM 0 HB2 GLU A 85 4.315 -4.924 -46.733 1.00 75.34 H new ATOM 0 HB3 GLU A 85 2.789 -4.137 -47.086 1.00 75.34 H new ATOM 0 HG2 GLU A 85 4.508 -2.032 -46.373 1.00 45.21 H new ATOM 0 HG3 GLU A 85 5.511 -3.111 -47.322 1.00 45.21 H new ATOM 1353 N LEU A 86 3.349 -6.231 -44.366 1.00 22.40 N ATOM 1354 CA LEU A 86 2.710 -7.463 -43.915 1.00 21.33 C ATOM 1355 C LEU A 86 2.046 -7.266 -42.556 1.00 20.32 C ATOM 1356 O LEU A 86 0.860 -7.546 -42.388 1.00 2.34 O ATOM 1357 CB LEU A 86 3.738 -8.594 -43.834 1.00 74.11 C ATOM 1358 CG LEU A 86 4.351 -9.038 -45.162 1.00 10.31 C ATOM 1359 CD1 LEU A 86 5.745 -9.604 -44.943 1.00 65.15 C ATOM 1360 CD2 LEU A 86 3.459 -10.065 -45.844 1.00 0.22 C ATOM 0 H LEU A 86 4.358 -6.302 -44.496 1.00 22.40 H new ATOM 0 HA LEU A 86 1.941 -7.730 -44.639 1.00 21.33 H new ATOM 0 HB2 LEU A 86 4.544 -8.279 -43.172 1.00 74.11 H new ATOM 0 HB3 LEU A 86 3.263 -9.458 -43.369 1.00 74.11 H new ATOM 0 HG LEU A 86 4.432 -8.167 -45.812 1.00 10.31 H new ATOM 0 HD11 LEU A 86 6.166 -9.915 -45.899 1.00 65.15 H new ATOM 0 HD12 LEU A 86 6.382 -8.840 -44.497 1.00 65.15 H new ATOM 0 HD13 LEU A 86 5.688 -10.463 -44.275 1.00 65.15 H new ATOM 0 HD21 LEU A 86 3.911 -10.370 -46.788 1.00 0.22 H new ATOM 0 HD22 LEU A 86 3.346 -10.936 -45.198 1.00 0.22 H new ATOM 0 HD23 LEU A 86 2.480 -9.626 -46.036 1.00 0.22 H new ATOM 1372 N MET A 87 2.819 -6.780 -41.590 1.00 55.22 N ATOM 1373 CA MET A 87 2.303 -6.543 -40.246 1.00 3.41 C ATOM 1374 C MET A 87 1.176 -5.515 -40.270 1.00 3.31 C ATOM 1375 O MET A 87 0.243 -5.585 -39.470 1.00 33.02 O ATOM 1376 CB MET A 87 3.426 -6.063 -39.325 1.00 13.51 C ATOM 1377 CG MET A 87 4.562 -7.064 -39.180 1.00 72.40 C ATOM 1378 SD MET A 87 4.028 -8.621 -38.445 1.00 23.01 S ATOM 1379 CE MET A 87 3.549 -9.538 -39.907 1.00 34.44 C ATOM 0 H MET A 87 3.803 -6.543 -41.712 1.00 55.22 H new ATOM 0 HA MET A 87 1.905 -7.483 -39.864 1.00 3.41 H new ATOM 0 HB2 MET A 87 3.826 -5.125 -39.711 1.00 13.51 H new ATOM 0 HB3 MET A 87 3.011 -5.851 -38.340 1.00 13.51 H new ATOM 0 HG2 MET A 87 4.996 -7.260 -40.161 1.00 72.40 H new ATOM 0 HG3 MET A 87 5.349 -6.628 -38.565 1.00 72.40 H new ATOM 0 HE1 MET A 87 2.477 -9.731 -39.880 1.00 34.44 H new ATOM 0 HE2 MET A 87 3.791 -8.957 -40.797 1.00 34.44 H new ATOM 0 HE3 MET A 87 4.087 -10.485 -39.935 1.00 34.44 H new ATOM 1389 N LEU A 88 1.269 -4.563 -41.192 1.00 0.04 N ATOM 1390 CA LEU A 88 0.256 -3.521 -41.319 1.00 32.32 C ATOM 1391 C LEU A 88 -1.083 -4.113 -41.751 1.00 31.41 C ATOM 1392 O LEU A 88 -2.121 -3.819 -41.159 1.00 51.04 O ATOM 1393 CB LEU A 88 0.709 -2.465 -42.330 1.00 71.42 C ATOM 1394 CG LEU A 88 -0.091 -1.161 -42.340 1.00 15.31 C ATOM 1395 CD1 LEU A 88 0.756 -0.019 -42.880 1.00 0.02 C ATOM 1396 CD2 LEU A 88 -1.360 -1.321 -43.163 1.00 33.15 C ATOM 0 H LEU A 88 2.035 -4.491 -41.862 1.00 0.04 H new ATOM 0 HA LEU A 88 0.127 -3.052 -40.344 1.00 32.32 H new ATOM 0 HB2 LEU A 88 1.754 -2.226 -42.132 1.00 71.42 H new ATOM 0 HB3 LEU A 88 0.665 -2.903 -43.327 1.00 71.42 H new ATOM 0 HG LEU A 88 -0.374 -0.923 -41.315 1.00 15.31 H new ATOM 0 HD11 LEU A 88 0.170 0.900 -42.880 1.00 0.02 H new ATOM 0 HD12 LEU A 88 1.636 0.111 -42.250 1.00 0.02 H new ATOM 0 HD13 LEU A 88 1.070 -0.249 -43.898 1.00 0.02 H new ATOM 0 HD21 LEU A 88 -1.917 -0.384 -43.159 1.00 33.15 H new ATOM 0 HD22 LEU A 88 -1.098 -1.583 -44.188 1.00 33.15 H new ATOM 0 HD23 LEU A 88 -1.976 -2.111 -42.732 1.00 33.15 H new ATOM 1408 N ALA A 89 -1.050 -4.947 -42.784 1.00 5.24 N ATOM 1409 CA ALA A 89 -2.259 -5.583 -43.291 1.00 72.31 C ATOM 1410 C ALA A 89 -2.757 -6.658 -42.332 1.00 53.31 C ATOM 1411 O ALA A 89 -3.941 -6.703 -41.997 1.00 61.11 O ATOM 1412 CB ALA A 89 -2.004 -6.179 -44.668 1.00 53.34 C ATOM 0 H ALA A 89 -0.199 -5.198 -43.287 1.00 5.24 H new ATOM 0 HA ALA A 89 -3.033 -4.820 -43.375 1.00 72.31 H new ATOM 0 HB1 ALA A 89 -2.916 -6.651 -45.035 1.00 53.34 H new ATOM 0 HB2 ALA A 89 -1.702 -5.389 -45.356 1.00 53.34 H new ATOM 0 HB3 ALA A 89 -1.211 -6.924 -44.601 1.00 53.34 H new ATOM 1418 N GLN A 90 -1.848 -7.523 -41.894 1.00 12.11 N ATOM 1419 CA GLN A 90 -2.197 -8.598 -40.974 1.00 12.45 C ATOM 1420 C GLN A 90 -1.347 -8.530 -39.709 1.00 41.24 C ATOM 1421 O GLN A 90 -0.382 -9.274 -39.539 1.00 10.03 O ATOM 1422 CB GLN A 90 -2.014 -9.957 -41.652 1.00 3.41 C ATOM 1423 CG GLN A 90 -0.666 -10.120 -42.336 1.00 23.53 C ATOM 1424 CD GLN A 90 -0.255 -11.572 -42.481 1.00 74.41 C ATOM 1425 OE1 GLN A 90 0.878 -11.942 -42.177 1.00 50.25 O ATOM 1426 NE2 GLN A 90 -1.179 -12.405 -42.947 1.00 33.14 N ATOM 0 H GLN A 90 -0.864 -7.500 -42.162 1.00 12.11 H new ATOM 0 HA GLN A 90 -3.243 -8.477 -40.694 1.00 12.45 H new ATOM 0 HB2 GLN A 90 -2.131 -10.744 -40.907 1.00 3.41 H new ATOM 0 HB3 GLN A 90 -2.805 -10.095 -42.389 1.00 3.41 H new ATOM 0 HG2 GLN A 90 -0.705 -9.658 -43.322 1.00 23.53 H new ATOM 0 HG3 GLN A 90 0.094 -9.587 -41.764 1.00 23.53 H new ATOM 0 HE21 GLN A 90 -2.107 -12.055 -43.187 1.00 33.14 H new ATOM 0 HE22 GLN A 90 -0.961 -13.394 -43.065 1.00 33.14 H new ATOM 1435 N PRO A 91 -1.715 -7.617 -38.799 1.00 51.14 N ATOM 1436 CA PRO A 91 -0.999 -7.429 -37.533 1.00 32.24 C ATOM 1437 C PRO A 91 -1.194 -8.601 -36.578 1.00 54.10 C ATOM 1438 O PRO A 91 -0.551 -8.675 -35.530 1.00 35.34 O ATOM 1439 CB PRO A 91 -1.628 -6.158 -36.955 1.00 71.34 C ATOM 1440 CG PRO A 91 -2.988 -6.100 -37.560 1.00 71.22 C ATOM 1441 CD PRO A 91 -2.855 -6.695 -38.934 1.00 34.13 C ATOM 0 HA PRO A 91 0.079 -7.359 -37.681 1.00 32.24 H new ATOM 0 HB2 PRO A 91 -1.680 -6.201 -35.867 1.00 71.34 H new ATOM 0 HB3 PRO A 91 -1.043 -5.275 -37.211 1.00 71.34 H new ATOM 0 HG2 PRO A 91 -3.706 -6.659 -36.960 1.00 71.22 H new ATOM 0 HG3 PRO A 91 -3.348 -5.073 -37.613 1.00 71.22 H new ATOM 0 HD2 PRO A 91 -3.762 -7.219 -39.234 1.00 34.13 H new ATOM 0 HD3 PRO A 91 -2.666 -5.930 -39.687 1.00 34.13 H new ATOM 1449 N SER A 92 -2.084 -9.517 -36.946 1.00 20.51 N ATOM 1450 CA SER A 92 -2.367 -10.685 -36.120 1.00 11.34 C ATOM 1451 C SER A 92 -1.132 -11.574 -35.996 1.00 43.02 C ATOM 1452 O SER A 92 -1.066 -12.446 -35.131 1.00 60.53 O ATOM 1453 CB SER A 92 -3.528 -11.486 -36.711 1.00 1.20 C ATOM 1454 OG SER A 92 -3.106 -12.247 -37.829 1.00 33.02 O ATOM 0 H SER A 92 -2.622 -9.473 -37.811 1.00 20.51 H new ATOM 0 HA SER A 92 -2.645 -10.337 -35.125 1.00 11.34 H new ATOM 0 HB2 SER A 92 -3.941 -12.149 -35.951 1.00 1.20 H new ATOM 0 HB3 SER A 92 -4.327 -10.808 -37.010 1.00 1.20 H new ATOM 0 HG SER A 92 -3.866 -12.751 -38.187 1.00 33.02 H new ATOM 1460 N MET A 93 -0.156 -11.344 -36.869 1.00 64.00 N ATOM 1461 CA MET A 93 1.077 -12.122 -36.857 1.00 11.03 C ATOM 1462 C MET A 93 2.026 -11.622 -35.773 1.00 22.03 C ATOM 1463 O MET A 93 2.943 -12.332 -35.360 1.00 62.52 O ATOM 1464 CB MET A 93 1.761 -12.053 -38.224 1.00 21.24 C ATOM 1465 CG MET A 93 2.355 -13.378 -38.673 1.00 71.33 C ATOM 1466 SD MET A 93 3.915 -13.176 -39.556 1.00 63.23 S ATOM 1467 CE MET A 93 3.572 -14.083 -41.062 1.00 50.03 C ATOM 0 H MET A 93 -0.195 -10.626 -37.593 1.00 64.00 H new ATOM 0 HA MET A 93 0.821 -13.159 -36.639 1.00 11.03 H new ATOM 0 HB2 MET A 93 1.037 -11.718 -38.967 1.00 21.24 H new ATOM 0 HB3 MET A 93 2.551 -11.303 -38.188 1.00 21.24 H new ATOM 0 HG2 MET A 93 2.514 -14.014 -37.802 1.00 71.33 H new ATOM 0 HG3 MET A 93 1.641 -13.892 -39.317 1.00 71.33 H new ATOM 0 HE1 MET A 93 4.084 -13.607 -41.898 1.00 50.03 H new ATOM 0 HE2 MET A 93 3.925 -15.109 -40.957 1.00 50.03 H new ATOM 0 HE3 MET A 93 2.498 -14.086 -41.248 1.00 50.03 H new ATOM 1477 N VAL A 94 1.801 -10.394 -35.317 1.00 52.44 N ATOM 1478 CA VAL A 94 2.636 -9.798 -34.280 1.00 10.35 C ATOM 1479 C VAL A 94 2.686 -10.683 -33.040 1.00 43.41 C ATOM 1480 O VAL A 94 1.659 -11.171 -32.569 1.00 40.44 O ATOM 1481 CB VAL A 94 2.123 -8.401 -33.881 1.00 33.42 C ATOM 1482 CG1 VAL A 94 2.989 -7.810 -32.779 1.00 75.05 C ATOM 1483 CG2 VAL A 94 2.085 -7.482 -35.092 1.00 35.21 C ATOM 0 H VAL A 94 1.047 -9.792 -35.649 1.00 52.44 H new ATOM 0 HA VAL A 94 3.639 -9.703 -34.696 1.00 10.35 H new ATOM 0 HB VAL A 94 1.107 -8.501 -33.498 1.00 33.42 H new ATOM 0 HG11 VAL A 94 2.612 -6.823 -32.510 1.00 75.05 H new ATOM 0 HG12 VAL A 94 2.960 -8.461 -31.905 1.00 75.05 H new ATOM 0 HG13 VAL A 94 4.017 -7.722 -33.132 1.00 75.05 H new ATOM 0 HG21 VAL A 94 1.720 -6.500 -34.792 1.00 35.21 H new ATOM 0 HG22 VAL A 94 3.088 -7.385 -35.507 1.00 35.21 H new ATOM 0 HG23 VAL A 94 1.419 -7.901 -35.846 1.00 35.21 H new ATOM 1493 N LYS A 95 3.889 -10.885 -32.513 1.00 21.24 N ATOM 1494 CA LYS A 95 4.076 -11.710 -31.325 1.00 1.24 C ATOM 1495 C LYS A 95 3.234 -11.191 -30.164 1.00 13.35 C ATOM 1496 O LYS A 95 2.839 -10.025 -30.145 1.00 52.22 O ATOM 1497 CB LYS A 95 5.553 -11.738 -30.926 1.00 62.41 C ATOM 1498 CG LYS A 95 6.111 -10.373 -30.564 1.00 12.43 C ATOM 1499 CD LYS A 95 7.461 -10.487 -29.877 1.00 23.31 C ATOM 1500 CE LYS A 95 8.482 -11.182 -30.766 1.00 33.13 C ATOM 1501 NZ LYS A 95 9.812 -11.288 -30.105 1.00 64.41 N ATOM 0 H LYS A 95 4.750 -10.488 -32.890 1.00 21.24 H new ATOM 0 HA LYS A 95 3.751 -12.723 -31.562 1.00 1.24 H new ATOM 0 HB2 LYS A 95 5.679 -12.409 -30.077 1.00 62.41 H new ATOM 0 HB3 LYS A 95 6.135 -12.153 -31.749 1.00 62.41 H new ATOM 0 HG2 LYS A 95 6.211 -9.769 -31.466 1.00 12.43 H new ATOM 0 HG3 LYS A 95 5.411 -9.855 -29.909 1.00 12.43 H new ATOM 0 HD2 LYS A 95 7.822 -9.493 -29.615 1.00 23.31 H new ATOM 0 HD3 LYS A 95 7.351 -11.042 -28.945 1.00 23.31 H new ATOM 0 HE2 LYS A 95 8.123 -12.179 -31.021 1.00 33.13 H new ATOM 0 HE3 LYS A 95 8.584 -10.631 -31.701 1.00 33.13 H new ATOM 0 HZ1 LYS A 95 10.479 -11.767 -30.743 1.00 64.41 H new ATOM 0 HZ2 LYS A 95 10.167 -10.336 -29.884 1.00 64.41 H new ATOM 0 HZ3 LYS A 95 9.720 -11.835 -29.226 1.00 64.41 H new ATOM 1515 N ARG A 96 2.967 -12.062 -29.197 1.00 23.43 N ATOM 1516 CA ARG A 96 2.172 -11.690 -28.033 1.00 52.42 C ATOM 1517 C ARG A 96 2.222 -12.784 -26.969 1.00 73.24 C ATOM 1518 O ARG A 96 2.531 -13.942 -27.249 1.00 25.00 O ATOM 1519 CB ARG A 96 0.721 -11.427 -28.441 1.00 2.41 C ATOM 1520 CG ARG A 96 -0.199 -12.616 -28.221 1.00 32.35 C ATOM 1521 CD ARG A 96 -1.423 -12.548 -29.121 1.00 1.31 C ATOM 1522 NE ARG A 96 -1.061 -12.507 -30.535 1.00 4.33 N ATOM 1523 CZ ARG A 96 -0.558 -13.545 -31.195 1.00 22.53 C ATOM 1524 NH1 ARG A 96 -0.358 -14.698 -30.571 1.00 21.10 N ATOM 1525 NH2 ARG A 96 -0.253 -13.430 -32.480 1.00 31.42 N ATOM 0 H ARG A 96 3.289 -13.030 -29.196 1.00 23.43 H new ATOM 0 HA ARG A 96 2.595 -10.777 -27.613 1.00 52.42 H new ATOM 0 HB2 ARG A 96 0.342 -10.576 -27.875 1.00 2.41 H new ATOM 0 HB3 ARG A 96 0.694 -11.147 -29.494 1.00 2.41 H new ATOM 0 HG2 ARG A 96 0.346 -13.540 -28.415 1.00 32.35 H new ATOM 0 HG3 ARG A 96 -0.514 -12.645 -27.178 1.00 32.35 H new ATOM 0 HD2 ARG A 96 -2.059 -13.414 -28.935 1.00 1.31 H new ATOM 0 HD3 ARG A 96 -2.008 -11.663 -28.871 1.00 1.31 H new ATOM 0 HE ARG A 96 -1.202 -11.634 -31.044 1.00 4.33 H new ATOM 0 HH11 ARG A 96 -0.590 -14.790 -29.582 1.00 21.10 H new ATOM 0 HH12 ARG A 96 0.028 -15.493 -31.080 1.00 21.10 H new ATOM 0 HH21 ARG A 96 -0.404 -12.544 -32.963 1.00 31.42 H new ATOM 0 HH22 ARG A 96 0.133 -14.227 -32.986 1.00 31.42 H new ATOM 1539 N PRO A 97 1.910 -12.408 -25.720 1.00 5.45 N ATOM 1540 CA PRO A 97 1.542 -11.032 -25.375 1.00 55.21 C ATOM 1541 C PRO A 97 2.723 -10.072 -25.474 1.00 1.12 C ATOM 1542 O PRO A 97 3.880 -10.494 -25.469 1.00 11.34 O ATOM 1543 CB PRO A 97 1.064 -11.145 -23.925 1.00 63.23 C ATOM 1544 CG PRO A 97 1.762 -12.347 -23.389 1.00 53.40 C ATOM 1545 CD PRO A 97 1.896 -13.299 -24.547 1.00 14.11 C ATOM 0 HA PRO A 97 0.792 -10.629 -26.055 1.00 55.21 H new ATOM 0 HB2 PRO A 97 1.318 -10.252 -23.354 1.00 63.23 H new ATOM 0 HB3 PRO A 97 -0.019 -11.260 -23.873 1.00 63.23 H new ATOM 0 HG2 PRO A 97 2.740 -12.083 -22.986 1.00 53.40 H new ATOM 0 HG3 PRO A 97 1.193 -12.799 -22.576 1.00 53.40 H new ATOM 0 HD2 PRO A 97 2.810 -13.889 -24.479 1.00 14.11 H new ATOM 0 HD3 PRO A 97 1.065 -14.003 -24.587 1.00 14.11 H new ATOM 1553 N VAL A 98 2.424 -8.780 -25.562 1.00 75.11 N ATOM 1554 CA VAL A 98 3.462 -7.761 -25.661 1.00 22.51 C ATOM 1555 C VAL A 98 3.329 -6.732 -24.543 1.00 20.24 C ATOM 1556 O VAL A 98 2.221 -6.373 -24.144 1.00 74.34 O ATOM 1557 CB VAL A 98 3.412 -7.037 -27.019 1.00 62.21 C ATOM 1558 CG1 VAL A 98 4.501 -5.978 -27.102 1.00 65.22 C ATOM 1559 CG2 VAL A 98 3.540 -8.036 -28.159 1.00 73.13 C ATOM 0 H VAL A 98 1.472 -8.414 -25.567 1.00 75.11 H new ATOM 0 HA VAL A 98 4.419 -8.274 -25.568 1.00 22.51 H new ATOM 0 HB VAL A 98 2.447 -6.538 -27.109 1.00 62.21 H new ATOM 0 HG11 VAL A 98 4.449 -5.478 -28.069 1.00 65.22 H new ATOM 0 HG12 VAL A 98 4.358 -5.246 -26.307 1.00 65.22 H new ATOM 0 HG13 VAL A 98 5.477 -6.450 -26.990 1.00 65.22 H new ATOM 0 HG21 VAL A 98 3.503 -7.508 -29.112 1.00 73.13 H new ATOM 0 HG22 VAL A 98 4.489 -8.565 -28.074 1.00 73.13 H new ATOM 0 HG23 VAL A 98 2.720 -8.752 -28.109 1.00 73.13 H new ATOM 1569 N LEU A 99 4.466 -6.261 -24.043 1.00 44.10 N ATOM 1570 CA LEU A 99 4.478 -5.271 -22.970 1.00 22.24 C ATOM 1571 C LEU A 99 5.226 -4.013 -23.400 1.00 30.44 C ATOM 1572 O LEU A 99 6.224 -4.087 -24.115 1.00 63.23 O ATOM 1573 CB LEU A 99 5.123 -5.860 -21.714 1.00 31.22 C ATOM 1574 CG LEU A 99 4.165 -6.471 -20.692 1.00 2.12 C ATOM 1575 CD1 LEU A 99 3.353 -7.590 -21.324 1.00 64.20 C ATOM 1576 CD2 LEU A 99 4.933 -6.984 -19.482 1.00 2.44 C ATOM 0 H LEU A 99 5.391 -6.548 -24.363 1.00 44.10 H new ATOM 0 HA LEU A 99 3.446 -4.999 -22.746 1.00 22.24 H new ATOM 0 HB2 LEU A 99 5.834 -6.628 -22.021 1.00 31.22 H new ATOM 0 HB3 LEU A 99 5.696 -5.074 -21.221 1.00 31.22 H new ATOM 0 HG LEU A 99 3.476 -5.695 -20.358 1.00 2.12 H new ATOM 0 HD11 LEU A 99 2.677 -8.013 -20.581 1.00 64.20 H new ATOM 0 HD12 LEU A 99 2.774 -7.193 -22.158 1.00 64.20 H new ATOM 0 HD13 LEU A 99 4.025 -8.367 -21.687 1.00 64.20 H new ATOM 0 HD21 LEU A 99 4.235 -7.416 -18.764 1.00 2.44 H new ATOM 0 HD22 LEU A 99 5.645 -7.746 -19.799 1.00 2.44 H new ATOM 0 HD23 LEU A 99 5.469 -6.158 -19.015 1.00 2.44 H new ATOM 1588 N GLU A 100 4.738 -2.860 -22.953 1.00 64.22 N ATOM 1589 CA GLU A 100 5.362 -1.586 -23.290 1.00 43.31 C ATOM 1590 C GLU A 100 5.792 -0.841 -22.030 1.00 30.33 C ATOM 1591 O GLU A 100 5.122 -0.905 -20.999 1.00 5.33 O ATOM 1592 CB GLU A 100 4.399 -0.720 -24.103 1.00 12.53 C ATOM 1593 CG GLU A 100 5.087 0.385 -24.887 1.00 51.33 C ATOM 1594 CD GLU A 100 5.354 1.617 -24.046 1.00 23.35 C ATOM 1595 OE1 GLU A 100 4.711 1.764 -22.985 1.00 13.23 O ATOM 1596 OE2 GLU A 100 6.206 2.437 -24.448 1.00 3.32 O ATOM 0 H GLU A 100 3.914 -2.782 -22.357 1.00 64.22 H new ATOM 0 HA GLU A 100 6.248 -1.793 -23.890 1.00 43.31 H new ATOM 0 HB2 GLU A 100 3.848 -1.356 -24.796 1.00 12.53 H new ATOM 0 HB3 GLU A 100 3.667 -0.274 -23.429 1.00 12.53 H new ATOM 0 HG2 GLU A 100 6.030 0.010 -25.285 1.00 51.33 H new ATOM 0 HG3 GLU A 100 4.467 0.660 -25.741 1.00 51.33 H new ATOM 1603 N ARG A 101 6.915 -0.136 -22.121 1.00 4.25 N ATOM 1604 CA ARG A 101 7.436 0.620 -20.988 1.00 32.41 C ATOM 1605 C ARG A 101 8.605 1.504 -21.415 1.00 74.21 C ATOM 1606 O ARG A 101 9.623 1.011 -21.903 1.00 12.55 O ATOM 1607 CB ARG A 101 7.881 -0.330 -19.875 1.00 44.21 C ATOM 1608 CG ARG A 101 8.331 0.382 -18.609 1.00 1.21 C ATOM 1609 CD ARG A 101 9.013 -0.574 -17.644 1.00 54.35 C ATOM 1610 NE ARG A 101 9.885 0.125 -16.705 1.00 52.24 N ATOM 1611 CZ ARG A 101 11.103 0.558 -17.016 1.00 25.22 C ATOM 1612 NH1 ARG A 101 11.588 0.363 -18.234 1.00 24.34 N ATOM 1613 NH2 ARG A 101 11.836 1.187 -16.106 1.00 11.44 N ATOM 0 H ARG A 101 7.481 -0.072 -22.967 1.00 4.25 H new ATOM 0 HA ARG A 101 6.637 1.260 -20.612 1.00 32.41 H new ATOM 0 HB2 ARG A 101 7.057 -1.001 -19.631 1.00 44.21 H new ATOM 0 HB3 ARG A 101 8.699 -0.950 -20.243 1.00 44.21 H new ATOM 0 HG2 ARG A 101 9.016 1.189 -18.868 1.00 1.21 H new ATOM 0 HG3 ARG A 101 7.470 0.839 -18.122 1.00 1.21 H new ATOM 0 HD2 ARG A 101 8.257 -1.131 -17.091 1.00 54.35 H new ATOM 0 HD3 ARG A 101 9.597 -1.302 -18.207 1.00 54.35 H new ATOM 0 HE ARG A 101 9.541 0.290 -15.759 1.00 52.24 H new ATOM 0 HH11 ARG A 101 11.027 -0.120 -18.935 1.00 24.34 H new ATOM 0 HH12 ARG A 101 12.523 0.696 -18.470 1.00 24.34 H new ATOM 0 HH21 ARG A 101 11.465 1.338 -15.168 1.00 11.44 H new ATOM 0 HH22 ARG A 101 12.770 1.519 -16.345 1.00 11.44 H new ATOM 1627 N ASP A 102 8.450 2.810 -21.230 1.00 73.03 N ATOM 1628 CA ASP A 102 9.492 3.763 -21.596 1.00 63.23 C ATOM 1629 C ASP A 102 9.942 3.549 -23.038 1.00 24.24 C ATOM 1630 O ASP A 102 11.106 3.760 -23.374 1.00 10.42 O ATOM 1631 CB ASP A 102 10.688 3.631 -20.651 1.00 41.13 C ATOM 1632 CG ASP A 102 10.397 4.182 -19.270 1.00 72.41 C ATOM 1633 OD1 ASP A 102 10.551 5.407 -19.075 1.00 51.21 O ATOM 1634 OD2 ASP A 102 10.016 3.391 -18.381 1.00 22.03 O ATOM 0 H ASP A 102 7.613 3.233 -20.829 1.00 73.03 H new ATOM 0 HA ASP A 102 9.078 4.768 -21.509 1.00 63.23 H new ATOM 0 HB2 ASP A 102 10.968 2.581 -20.569 1.00 41.13 H new ATOM 0 HB3 ASP A 102 11.543 4.157 -21.076 1.00 41.13 H new ATOM 1639 N GLY A 103 9.009 3.129 -23.888 1.00 2.43 N ATOM 1640 CA GLY A 103 9.328 2.893 -25.284 1.00 31.54 C ATOM 1641 C GLY A 103 9.776 1.468 -25.542 1.00 30.50 C ATOM 1642 O GLY A 103 9.339 0.837 -26.505 1.00 10.41 O ATOM 0 H GLY A 103 8.038 2.948 -23.634 1.00 2.43 H new ATOM 0 HA2 GLY A 103 8.453 3.112 -25.896 1.00 31.54 H new ATOM 0 HA3 GLY A 103 10.115 3.580 -25.595 1.00 31.54 H new ATOM 1646 N LYS A 104 10.653 0.959 -24.682 1.00 25.14 N ATOM 1647 CA LYS A 104 11.161 -0.401 -24.822 1.00 25.34 C ATOM 1648 C LYS A 104 10.028 -1.418 -24.739 1.00 14.23 C ATOM 1649 O LYS A 104 9.207 -1.373 -23.821 1.00 31.24 O ATOM 1650 CB LYS A 104 12.203 -0.691 -23.738 1.00 11.12 C ATOM 1651 CG LYS A 104 12.858 -2.054 -23.876 1.00 33.24 C ATOM 1652 CD LYS A 104 14.039 -2.011 -24.832 1.00 41.15 C ATOM 1653 CE LYS A 104 15.261 -1.383 -24.181 1.00 4.32 C ATOM 1654 NZ LYS A 104 15.997 -2.357 -23.329 1.00 32.45 N ATOM 0 H LYS A 104 11.026 1.468 -23.881 1.00 25.14 H new ATOM 0 HA LYS A 104 11.630 -0.488 -25.802 1.00 25.34 H new ATOM 0 HB2 LYS A 104 12.974 0.079 -23.771 1.00 11.12 H new ATOM 0 HB3 LYS A 104 11.727 -0.623 -22.760 1.00 11.12 H new ATOM 0 HG2 LYS A 104 13.193 -2.398 -22.898 1.00 33.24 H new ATOM 0 HG3 LYS A 104 12.125 -2.776 -24.234 1.00 33.24 H new ATOM 0 HD2 LYS A 104 14.280 -3.022 -25.160 1.00 41.15 H new ATOM 0 HD3 LYS A 104 13.767 -1.443 -25.722 1.00 41.15 H new ATOM 0 HE2 LYS A 104 15.928 -1.000 -24.954 1.00 4.32 H new ATOM 0 HE3 LYS A 104 14.952 -0.531 -23.575 1.00 4.32 H new ATOM 0 HZ1 LYS A 104 16.823 -1.891 -22.903 1.00 32.45 H new ATOM 0 HZ2 LYS A 104 15.369 -2.704 -22.576 1.00 32.45 H new ATOM 0 HZ3 LYS A 104 16.314 -3.158 -23.912 1.00 32.45 H new ATOM 1668 N LEU A 105 9.988 -2.333 -25.700 1.00 31.53 N ATOM 1669 CA LEU A 105 8.955 -3.363 -25.734 1.00 20.33 C ATOM 1670 C LEU A 105 9.470 -4.671 -25.143 1.00 75.31 C ATOM 1671 O LEU A 105 10.664 -4.965 -25.208 1.00 23.42 O ATOM 1672 CB LEU A 105 8.481 -3.590 -27.170 1.00 32.41 C ATOM 1673 CG LEU A 105 7.013 -3.984 -27.338 1.00 52.15 C ATOM 1674 CD1 LEU A 105 6.102 -2.836 -26.928 1.00 35.41 C ATOM 1675 CD2 LEU A 105 6.734 -4.401 -28.774 1.00 22.22 C ATOM 0 H LEU A 105 10.659 -2.383 -26.467 1.00 31.53 H new ATOM 0 HA LEU A 105 8.115 -3.020 -25.131 1.00 20.33 H new ATOM 0 HB2 LEU A 105 8.659 -2.677 -27.739 1.00 32.41 H new ATOM 0 HB3 LEU A 105 9.099 -4.369 -27.616 1.00 32.41 H new ATOM 0 HG LEU A 105 6.808 -4.834 -26.687 1.00 52.15 H new ATOM 0 HD11 LEU A 105 5.061 -3.134 -27.054 1.00 35.41 H new ATOM 0 HD12 LEU A 105 6.283 -2.583 -25.883 1.00 35.41 H new ATOM 0 HD13 LEU A 105 6.308 -1.967 -27.553 1.00 35.41 H new ATOM 0 HD21 LEU A 105 5.685 -4.678 -28.875 1.00 22.22 H new ATOM 0 HD22 LEU A 105 6.956 -3.570 -29.444 1.00 22.22 H new ATOM 0 HD23 LEU A 105 7.361 -5.254 -29.034 1.00 22.22 H new ATOM 1687 N MET A 106 8.562 -5.454 -24.570 1.00 74.33 N ATOM 1688 CA MET A 106 8.925 -6.733 -23.971 1.00 20.31 C ATOM 1689 C MET A 106 8.097 -7.867 -24.566 1.00 43.33 C ATOM 1690 O MET A 106 6.915 -7.695 -24.864 1.00 3.02 O ATOM 1691 CB MET A 106 8.731 -6.684 -22.455 1.00 44.33 C ATOM 1692 CG MET A 106 9.764 -7.489 -21.682 1.00 71.01 C ATOM 1693 SD MET A 106 9.637 -7.253 -19.900 1.00 50.21 S ATOM 1694 CE MET A 106 11.173 -6.395 -19.561 1.00 61.54 C ATOM 0 H MET A 106 7.570 -5.225 -24.508 1.00 74.33 H new ATOM 0 HA MET A 106 9.976 -6.922 -24.189 1.00 20.31 H new ATOM 0 HB2 MET A 106 8.771 -5.646 -22.125 1.00 44.33 H new ATOM 0 HB3 MET A 106 7.736 -7.057 -22.212 1.00 44.33 H new ATOM 0 HG2 MET A 106 9.642 -8.547 -21.914 1.00 71.01 H new ATOM 0 HG3 MET A 106 10.763 -7.203 -22.012 1.00 71.01 H new ATOM 0 HE1 MET A 106 11.241 -6.179 -18.495 1.00 61.54 H new ATOM 0 HE2 MET A 106 12.013 -7.022 -19.859 1.00 61.54 H new ATOM 0 HE3 MET A 106 11.200 -5.462 -20.123 1.00 61.54 H new ATOM 1704 N VAL A 107 8.724 -9.026 -24.737 1.00 75.01 N ATOM 1705 CA VAL A 107 8.043 -10.189 -25.295 1.00 61.12 C ATOM 1706 C VAL A 107 7.444 -11.057 -24.194 1.00 44.11 C ATOM 1707 O VAL A 107 8.089 -11.325 -23.181 1.00 61.33 O ATOM 1708 CB VAL A 107 9.000 -11.045 -26.145 1.00 11.11 C ATOM 1709 CG1 VAL A 107 8.248 -12.188 -26.809 1.00 22.41 C ATOM 1710 CG2 VAL A 107 9.703 -10.184 -27.184 1.00 1.13 C ATOM 0 H VAL A 107 9.703 -9.185 -24.497 1.00 75.01 H new ATOM 0 HA VAL A 107 7.242 -9.812 -25.931 1.00 61.12 H new ATOM 0 HB VAL A 107 9.757 -11.474 -25.488 1.00 11.11 H new ATOM 0 HG11 VAL A 107 8.941 -12.782 -27.405 1.00 22.41 H new ATOM 0 HG12 VAL A 107 7.795 -12.819 -26.044 1.00 22.41 H new ATOM 0 HG13 VAL A 107 7.468 -11.784 -27.454 1.00 22.41 H new ATOM 0 HG21 VAL A 107 10.376 -10.805 -27.776 1.00 1.13 H new ATOM 0 HG22 VAL A 107 8.962 -9.726 -27.839 1.00 1.13 H new ATOM 0 HG23 VAL A 107 10.276 -9.404 -26.683 1.00 1.13 H new ATOM 1720 N GLY A 108 6.206 -11.494 -24.401 1.00 3.25 N ATOM 1721 CA GLY A 108 5.541 -12.328 -23.416 1.00 34.24 C ATOM 1722 C GLY A 108 6.252 -13.649 -23.200 1.00 63.12 C ATOM 1723 O GLY A 108 7.177 -13.992 -23.936 1.00 74.34 O ATOM 0 H GLY A 108 5.652 -11.286 -25.232 1.00 3.25 H new ATOM 0 HA2 GLY A 108 5.483 -11.791 -22.469 1.00 34.24 H new ATOM 0 HA3 GLY A 108 4.517 -12.518 -23.737 1.00 34.24 H new ATOM 1727 N PHE A 109 5.820 -14.393 -22.187 1.00 65.53 N ATOM 1728 CA PHE A 109 6.424 -15.682 -21.873 1.00 34.22 C ATOM 1729 C PHE A 109 5.376 -16.661 -21.351 1.00 13.12 C ATOM 1730 O PHE A 109 4.356 -16.257 -20.793 1.00 33.42 O ATOM 1731 CB PHE A 109 7.538 -15.510 -20.840 1.00 43.33 C ATOM 1732 CG PHE A 109 8.836 -15.037 -21.429 1.00 4.44 C ATOM 1733 CD1 PHE A 109 9.545 -15.839 -22.308 1.00 74.21 C ATOM 1734 CD2 PHE A 109 9.345 -13.790 -21.103 1.00 64.54 C ATOM 1735 CE1 PHE A 109 10.739 -15.406 -22.854 1.00 22.11 C ATOM 1736 CE2 PHE A 109 10.540 -13.352 -21.646 1.00 30.44 C ATOM 1737 CZ PHE A 109 11.238 -14.162 -22.521 1.00 13.51 C ATOM 0 H PHE A 109 5.054 -14.125 -21.570 1.00 65.53 H new ATOM 0 HA PHE A 109 6.850 -16.088 -22.790 1.00 34.22 H new ATOM 0 HB2 PHE A 109 7.212 -14.798 -20.082 1.00 43.33 H new ATOM 0 HB3 PHE A 109 7.703 -16.461 -20.334 1.00 43.33 H new ATOM 0 HD1 PHE A 109 9.161 -16.814 -22.570 1.00 74.21 H new ATOM 0 HD2 PHE A 109 8.804 -13.154 -20.418 1.00 64.54 H new ATOM 0 HE1 PHE A 109 11.281 -16.040 -23.540 1.00 22.11 H new ATOM 0 HE2 PHE A 109 10.927 -12.378 -21.386 1.00 30.44 H new ATOM 0 HZ PHE A 109 12.172 -13.823 -22.944 1.00 13.51 H new ATOM 1747 N LYS A 110 5.635 -17.951 -21.537 1.00 53.10 N ATOM 1748 CA LYS A 110 4.717 -18.989 -21.084 1.00 31.01 C ATOM 1749 C LYS A 110 4.374 -18.808 -19.609 1.00 43.41 C ATOM 1750 O LYS A 110 5.078 -18.127 -18.863 1.00 73.41 O ATOM 1751 CB LYS A 110 5.328 -20.373 -21.310 1.00 1.21 C ATOM 1752 CG LYS A 110 4.825 -21.063 -22.567 1.00 30.45 C ATOM 1753 CD LYS A 110 5.140 -22.549 -22.551 1.00 25.15 C ATOM 1754 CE LYS A 110 6.603 -22.812 -22.873 1.00 71.12 C ATOM 1755 NZ LYS A 110 6.922 -22.504 -24.295 1.00 33.33 N ATOM 0 H LYS A 110 6.474 -18.303 -21.999 1.00 53.10 H new ATOM 0 HA LYS A 110 3.799 -18.904 -21.665 1.00 31.01 H new ATOM 0 HB2 LYS A 110 6.412 -20.277 -21.368 1.00 1.21 H new ATOM 0 HB3 LYS A 110 5.109 -21.003 -20.448 1.00 1.21 H new ATOM 0 HG2 LYS A 110 3.748 -20.919 -22.656 1.00 30.45 H new ATOM 0 HG3 LYS A 110 5.281 -20.603 -23.443 1.00 30.45 H new ATOM 0 HD2 LYS A 110 4.902 -22.962 -21.571 1.00 25.15 H new ATOM 0 HD3 LYS A 110 4.509 -23.064 -23.275 1.00 25.15 H new ATOM 0 HE2 LYS A 110 7.233 -22.208 -22.220 1.00 71.12 H new ATOM 0 HE3 LYS A 110 6.839 -23.856 -22.666 1.00 71.12 H new ATOM 0 HZ1 LYS A 110 7.814 -22.968 -24.559 1.00 33.33 H new ATOM 0 HZ2 LYS A 110 6.156 -22.853 -24.906 1.00 33.33 H new ATOM 0 HZ3 LYS A 110 7.019 -21.475 -24.414 1.00 33.33 H new ATOM 1769 N PRO A 111 3.268 -19.431 -19.177 1.00 3.22 N ATOM 1770 CA PRO A 111 2.808 -19.355 -17.787 1.00 31.43 C ATOM 1771 C PRO A 111 3.726 -20.109 -16.830 1.00 53.03 C ATOM 1772 O PRO A 111 4.124 -19.582 -15.792 1.00 72.25 O ATOM 1773 CB PRO A 111 1.428 -20.013 -17.833 1.00 2.05 C ATOM 1774 CG PRO A 111 1.482 -20.927 -19.008 1.00 62.33 C ATOM 1775 CD PRO A 111 2.381 -20.259 -20.011 1.00 71.40 C ATOM 0 HA PRO A 111 2.794 -18.329 -17.418 1.00 31.43 H new ATOM 0 HB2 PRO A 111 1.220 -20.562 -16.914 1.00 2.05 H new ATOM 0 HB3 PRO A 111 0.639 -19.270 -17.946 1.00 2.05 H new ATOM 0 HG2 PRO A 111 1.872 -21.905 -18.724 1.00 62.33 H new ATOM 0 HG3 PRO A 111 0.487 -21.089 -19.423 1.00 62.33 H new ATOM 0 HD2 PRO A 111 2.943 -20.988 -20.595 1.00 71.40 H new ATOM 0 HD3 PRO A 111 1.814 -19.654 -20.718 1.00 71.40 H new ATOM 1783 N ALA A 112 4.059 -21.345 -17.189 1.00 62.44 N ATOM 1784 CA ALA A 112 4.931 -22.170 -16.363 1.00 52.52 C ATOM 1785 C ALA A 112 6.298 -21.518 -16.186 1.00 34.24 C ATOM 1786 O ALA A 112 6.871 -21.543 -15.097 1.00 74.33 O ATOM 1787 CB ALA A 112 5.081 -23.555 -16.974 1.00 45.03 C ATOM 0 H ALA A 112 3.738 -21.796 -18.046 1.00 62.44 H new ATOM 0 HA ALA A 112 4.473 -22.266 -15.379 1.00 52.52 H new ATOM 0 HB1 ALA A 112 5.735 -24.161 -16.347 1.00 45.03 H new ATOM 0 HB2 ALA A 112 4.102 -24.030 -17.043 1.00 45.03 H new ATOM 0 HB3 ALA A 112 5.513 -23.468 -17.971 1.00 45.03 H new ATOM 1793 N GLN A 113 6.815 -20.936 -17.263 1.00 34.25 N ATOM 1794 CA GLN A 113 8.115 -20.279 -17.227 1.00 42.12 C ATOM 1795 C GLN A 113 8.065 -19.021 -16.365 1.00 63.54 C ATOM 1796 O GLN A 113 8.919 -18.814 -15.503 1.00 30.03 O ATOM 1797 CB GLN A 113 8.571 -19.923 -18.644 1.00 62.35 C ATOM 1798 CG GLN A 113 8.507 -21.091 -19.615 1.00 53.13 C ATOM 1799 CD GLN A 113 9.459 -22.211 -19.244 1.00 30.34 C ATOM 1800 OE1 GLN A 113 9.128 -23.083 -18.440 1.00 1.43 O ATOM 1801 NE2 GLN A 113 10.650 -22.194 -19.831 1.00 31.33 N ATOM 0 H GLN A 113 6.353 -20.906 -18.172 1.00 34.25 H new ATOM 0 HA GLN A 113 8.832 -20.972 -16.786 1.00 42.12 H new ATOM 0 HB2 GLN A 113 7.950 -19.111 -19.023 1.00 62.35 H new ATOM 0 HB3 GLN A 113 9.594 -19.550 -18.604 1.00 62.35 H new ATOM 0 HG2 GLN A 113 7.489 -21.479 -19.644 1.00 53.13 H new ATOM 0 HG3 GLN A 113 8.742 -20.737 -20.619 1.00 53.13 H new ATOM 0 HE21 GLN A 113 10.883 -21.452 -20.491 1.00 31.33 H new ATOM 0 HE22 GLN A 113 11.332 -22.923 -19.622 1.00 31.33 H new ATOM 1810 N TYR A 114 7.062 -18.185 -16.606 1.00 74.31 N ATOM 1811 CA TYR A 114 6.902 -16.947 -15.853 1.00 32.54 C ATOM 1812 C TYR A 114 6.841 -17.223 -14.354 1.00 30.52 C ATOM 1813 O TYR A 114 7.512 -16.562 -13.563 1.00 21.43 O ATOM 1814 CB TYR A 114 5.636 -16.213 -16.300 1.00 52.21 C ATOM 1815 CG TYR A 114 5.738 -14.709 -16.195 1.00 71.23 C ATOM 1816 CD1 TYR A 114 6.800 -14.023 -16.770 1.00 2.14 C ATOM 1817 CD2 TYR A 114 4.771 -13.973 -15.521 1.00 72.04 C ATOM 1818 CE1 TYR A 114 6.898 -12.649 -16.675 1.00 70.32 C ATOM 1819 CE2 TYR A 114 4.860 -12.598 -15.422 1.00 0.14 C ATOM 1820 CZ TYR A 114 5.926 -11.940 -16.001 1.00 74.52 C ATOM 1821 OH TYR A 114 6.019 -10.570 -15.905 1.00 24.42 O ATOM 0 H TYR A 114 6.347 -18.342 -17.317 1.00 74.31 H new ATOM 0 HA TYR A 114 7.769 -16.317 -16.052 1.00 32.54 H new ATOM 0 HB2 TYR A 114 5.416 -16.482 -17.333 1.00 52.21 H new ATOM 0 HB3 TYR A 114 4.796 -16.555 -15.696 1.00 52.21 H new ATOM 0 HD1 TYR A 114 7.562 -14.574 -17.301 1.00 2.14 H new ATOM 0 HD2 TYR A 114 3.935 -14.485 -15.067 1.00 72.04 H new ATOM 0 HE1 TYR A 114 7.732 -12.132 -17.126 1.00 70.32 H new ATOM 0 HE2 TYR A 114 4.100 -12.041 -14.895 1.00 0.14 H new ATOM 0 HH TYR A 114 5.254 -10.225 -15.399 1.00 24.42 H new ATOM 1831 N GLU A 115 6.031 -18.207 -13.973 1.00 14.02 N ATOM 1832 CA GLU A 115 5.882 -18.571 -12.569 1.00 22.21 C ATOM 1833 C GLU A 115 7.194 -19.107 -12.004 1.00 15.44 C ATOM 1834 O GLU A 115 7.628 -18.704 -10.926 1.00 4.40 O ATOM 1835 CB GLU A 115 4.777 -19.617 -12.406 1.00 5.22 C ATOM 1836 CG GLU A 115 3.447 -19.196 -13.007 1.00 30.50 C ATOM 1837 CD GLU A 115 2.353 -19.062 -11.965 1.00 42.21 C ATOM 1838 OE1 GLU A 115 1.696 -20.081 -11.661 1.00 14.10 O ATOM 1839 OE2 GLU A 115 2.151 -17.940 -11.455 1.00 54.12 O ATOM 0 H GLU A 115 5.469 -18.765 -14.616 1.00 14.02 H new ATOM 0 HA GLU A 115 5.608 -17.674 -12.014 1.00 22.21 H new ATOM 0 HB2 GLU A 115 5.098 -20.548 -12.872 1.00 5.22 H new ATOM 0 HB3 GLU A 115 4.637 -19.823 -11.345 1.00 5.22 H new ATOM 0 HG2 GLU A 115 3.571 -18.244 -13.523 1.00 30.50 H new ATOM 0 HG3 GLU A 115 3.143 -19.927 -13.756 1.00 30.50 H new ATOM 1846 N ALA A 116 7.818 -20.020 -12.740 1.00 50.22 N ATOM 1847 CA ALA A 116 9.081 -20.613 -12.314 1.00 4.31 C ATOM 1848 C ALA A 116 10.148 -19.542 -12.114 1.00 51.44 C ATOM 1849 O ALA A 116 10.830 -19.514 -11.089 1.00 72.23 O ATOM 1850 CB ALA A 116 9.548 -21.645 -13.328 1.00 54.13 C ATOM 0 H ALA A 116 7.470 -20.366 -13.634 1.00 50.22 H new ATOM 0 HA ALA A 116 8.918 -21.110 -11.358 1.00 4.31 H new ATOM 0 HB1 ALA A 116 10.491 -22.079 -12.997 1.00 54.13 H new ATOM 0 HB2 ALA A 116 8.799 -22.431 -13.418 1.00 54.13 H new ATOM 0 HB3 ALA A 116 9.689 -21.165 -14.297 1.00 54.13 H new ATOM 1856 N TYR A 117 10.290 -18.664 -13.100 1.00 54.32 N ATOM 1857 CA TYR A 117 11.278 -17.593 -13.035 1.00 43.12 C ATOM 1858 C TYR A 117 10.907 -16.576 -11.959 1.00 23.32 C ATOM 1859 O TYR A 117 11.777 -15.941 -11.363 1.00 72.22 O ATOM 1860 CB TYR A 117 11.400 -16.898 -14.391 1.00 24.03 C ATOM 1861 CG TYR A 117 12.721 -17.148 -15.083 1.00 64.05 C ATOM 1862 CD1 TYR A 117 13.915 -16.713 -14.522 1.00 53.14 C ATOM 1863 CD2 TYR A 117 12.774 -17.818 -16.298 1.00 22.44 C ATOM 1864 CE1 TYR A 117 15.124 -16.939 -15.151 1.00 11.13 C ATOM 1865 CE2 TYR A 117 13.979 -18.049 -16.935 1.00 40.30 C ATOM 1866 CZ TYR A 117 15.150 -17.607 -16.357 1.00 14.53 C ATOM 1867 OH TYR A 117 16.352 -17.834 -16.987 1.00 31.20 O ATOM 0 H TYR A 117 9.733 -18.672 -13.955 1.00 54.32 H new ATOM 0 HA TYR A 117 12.240 -18.035 -12.776 1.00 43.12 H new ATOM 0 HB2 TYR A 117 10.591 -17.237 -15.038 1.00 24.03 H new ATOM 0 HB3 TYR A 117 11.269 -15.825 -14.253 1.00 24.03 H new ATOM 0 HD1 TYR A 117 13.898 -16.189 -13.578 1.00 53.14 H new ATOM 0 HD2 TYR A 117 11.858 -18.165 -16.753 1.00 22.44 H new ATOM 0 HE1 TYR A 117 16.043 -16.595 -14.701 1.00 11.13 H new ATOM 0 HE2 TYR A 117 14.003 -18.572 -17.879 1.00 40.30 H new ATOM 0 HH TYR A 117 16.196 -18.317 -17.825 1.00 31.20 H new ATOM 1877 N PHE A 118 9.609 -16.425 -11.720 1.00 14.14 N ATOM 1878 CA PHE A 118 9.121 -15.485 -10.718 1.00 2.10 C ATOM 1879 C PHE A 118 9.746 -15.768 -9.355 1.00 23.32 C ATOM 1880 O PHE A 118 9.869 -14.875 -8.517 1.00 14.34 O ATOM 1881 CB PHE A 118 7.596 -15.561 -10.616 1.00 24.24 C ATOM 1882 CG PHE A 118 7.003 -14.521 -9.708 1.00 65.14 C ATOM 1883 CD1 PHE A 118 6.969 -14.719 -8.337 1.00 41.02 C ATOM 1884 CD2 PHE A 118 6.480 -13.348 -10.226 1.00 55.11 C ATOM 1885 CE1 PHE A 118 6.423 -13.764 -7.500 1.00 73.25 C ATOM 1886 CE2 PHE A 118 5.933 -12.390 -9.393 1.00 41.31 C ATOM 1887 CZ PHE A 118 5.906 -12.598 -8.028 1.00 31.03 C ATOM 0 H PHE A 118 8.876 -16.941 -12.206 1.00 14.14 H new ATOM 0 HA PHE A 118 9.409 -14.481 -11.029 1.00 2.10 H new ATOM 0 HB2 PHE A 118 7.167 -15.449 -11.612 1.00 24.24 H new ATOM 0 HB3 PHE A 118 7.313 -16.550 -10.256 1.00 24.24 H new ATOM 0 HD1 PHE A 118 7.373 -15.629 -7.918 1.00 41.02 H new ATOM 0 HD2 PHE A 118 6.500 -13.180 -11.293 1.00 55.11 H new ATOM 0 HE1 PHE A 118 6.401 -13.930 -6.433 1.00 73.25 H new ATOM 0 HE2 PHE A 118 5.527 -11.480 -9.809 1.00 41.31 H new ATOM 0 HZ PHE A 118 5.481 -11.850 -7.375 1.00 31.03 H new ATOM 1897 N LYS A 119 10.142 -17.019 -9.141 1.00 45.31 N ATOM 1898 CA LYS A 119 10.755 -17.422 -7.881 1.00 73.12 C ATOM 1899 C LYS A 119 12.150 -16.819 -7.738 1.00 53.44 C ATOM 1900 O LYS A 119 12.968 -16.897 -8.655 1.00 11.14 O ATOM 1901 CB LYS A 119 10.836 -18.948 -7.796 1.00 41.45 C ATOM 1902 CG LYS A 119 11.626 -19.448 -6.598 1.00 3.34 C ATOM 1903 CD LYS A 119 11.770 -20.961 -6.618 1.00 40.53 C ATOM 1904 CE LYS A 119 10.521 -21.647 -6.084 1.00 22.25 C ATOM 1905 NZ LYS A 119 10.559 -23.119 -6.309 1.00 11.40 N ATOM 0 H LYS A 119 10.049 -17.771 -9.824 1.00 45.31 H new ATOM 0 HA LYS A 119 10.133 -17.051 -7.067 1.00 73.12 H new ATOM 0 HB2 LYS A 119 9.826 -19.355 -7.751 1.00 41.45 H new ATOM 0 HB3 LYS A 119 11.294 -19.331 -8.708 1.00 41.45 H new ATOM 0 HG2 LYS A 119 12.614 -18.987 -6.594 1.00 3.34 H new ATOM 0 HG3 LYS A 119 11.128 -19.141 -5.678 1.00 3.34 H new ATOM 0 HD2 LYS A 119 11.963 -21.296 -7.637 1.00 40.53 H new ATOM 0 HD3 LYS A 119 12.632 -21.254 -6.018 1.00 40.53 H new ATOM 0 HE2 LYS A 119 10.423 -21.445 -5.017 1.00 22.25 H new ATOM 0 HE3 LYS A 119 9.640 -21.228 -6.570 1.00 22.25 H new ATOM 0 HZ1 LYS A 119 9.691 -23.550 -5.932 1.00 11.40 H new ATOM 0 HZ2 LYS A 119 10.627 -23.313 -7.329 1.00 11.40 H new ATOM 0 HZ3 LYS A 119 11.386 -23.523 -5.824 1.00 11.40 H new ATOM 1919 N LEU A 120 12.414 -16.219 -6.582 1.00 51.43 N ATOM 1920 CA LEU A 120 13.710 -15.606 -6.318 1.00 62.11 C ATOM 1921 C LEU A 120 14.791 -16.667 -6.144 1.00 51.03 C ATOM 1922 O LEU A 120 14.704 -17.516 -5.258 1.00 22.42 O ATOM 1923 CB LEU A 120 13.635 -14.729 -5.067 1.00 40.12 C ATOM 1924 CG LEU A 120 13.217 -13.274 -5.290 1.00 62.42 C ATOM 1925 CD1 LEU A 120 11.784 -13.202 -5.793 1.00 62.14 C ATOM 1926 CD2 LEU A 120 13.376 -12.470 -4.008 1.00 30.24 C ATOM 0 H LEU A 120 11.748 -16.144 -5.813 1.00 51.43 H new ATOM 0 HA LEU A 120 13.972 -14.986 -7.175 1.00 62.11 H new ATOM 0 HB2 LEU A 120 12.932 -15.185 -4.370 1.00 40.12 H new ATOM 0 HB3 LEU A 120 14.612 -14.735 -4.584 1.00 40.12 H new ATOM 0 HG LEU A 120 13.869 -12.841 -6.049 1.00 62.42 H new ATOM 0 HD11 LEU A 120 11.504 -12.160 -5.946 1.00 62.14 H new ATOM 0 HD12 LEU A 120 11.702 -13.742 -6.736 1.00 62.14 H new ATOM 0 HD13 LEU A 120 11.117 -13.653 -5.058 1.00 62.14 H new ATOM 0 HD21 LEU A 120 13.074 -11.438 -4.186 1.00 30.24 H new ATOM 0 HD22 LEU A 120 12.750 -12.902 -3.228 1.00 30.24 H new ATOM 0 HD23 LEU A 120 14.419 -12.493 -3.691 1.00 30.24 H new TER 1938 LEU A 120