USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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 NoAdj-H: A1001 OLA HO2 : A1001 OLA O2 : A1001 OLA C1 :(short bond) USER MOD Set 1.1: A 124 TYR OH : rot 175:sc= 1.27 USER MOD Set 1.2: A 141 LYS NZ :NH3+ 160:sc= 1.17 (180deg=0.793) USER MOD Set 2.1: A 137 SER OG : rot 118:sc= -0.481 USER MOD Set 2.2: A 139 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 104 HIS : no HD1:sc= -2.34! C(o=-1.1!,f=-4.4!) USER MOD Set 3.2: A 116 TYR OH : rot 46:sc= 1.21 USER MOD Set 4.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 86 THR OG1 : rot -0:sc= -1.11! USER MOD Set 5.2: A 88 HIS : +bothHN:sc= -5.89! C(o=-7!,f=-7.1!) USER MOD Set 6.1: A 43 LYS NZ :NH3+ -167:sc= 2.86 (180deg=1.08) USER MOD Set 6.2: A 58 MET CE :methyl -114:sc= -1.18 (180deg=-2.95!) USER MOD Set 6.3: A 60 ASN : amide:sc= 0.725 K(o=1,f=-8.6) USER MOD Set 6.4: A 67 THR OG1 : rot 35:sc= -1.9! USER MOD Set 6.5: A 118 TYR OH : rot 180:sc= 0 USER MOD Set 6.6: A 127 MET CE :methyl -166:sc= -1.39 (180deg=-1.87!) USER MOD Set 6.7: A 140 TYR OH : rot 155:sc= 1.9 USER MOD Set 7.1: A 65 LYS NZ :NH3+ -172:sc= 0.737 (180deg=0) USER MOD Set 7.2: A 85 SER OG : rot 180:sc= 0.657 USER MOD Set 8.1: A 22 TYR OH : rot 45:sc= 0.748 USER MOD Set 8.2: A 129 MET CE :methyl -134:sc= -2.59 (180deg=-6.97!) USER MOD Set 9.1: A -4 HIS : no HD1:sc= -1.59 X(o=-1.6,f=-1.5!) USER MOD Set 9.2: A -8 SER OG : rot 180:sc= -0.0545 USER MOD Single : A 0 SER OG : rot -150:sc= 0 USER MOD Single : A 1 LYS NZ :NH3+ -161:sc= -0.0411 (180deg=-0.408) USER MOD Single : A 2 THR OG1 : rot -92:sc= 1.27 USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0755 (180deg=-0.445) USER MOD Single : A -2 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.012) USER MOD Single : A -3 HIS : no HD1:sc= -0.0378 X(o=-0.038,f=-0.0067) USER MOD Single : A -5 HIS : no HE2:sc= 0.0824 K(o=0.082,f=-0.77) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.1) USER MOD Single : A 10 THR OG1 : rot 180:sc=-0.00408 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.749 K(o=0.75,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 1.18 (180deg=-0.53) USER MOD Single : A 28 TYR OH : rot 30:sc= -0.449 USER MOD Single : A 32 MET CE :methyl -151:sc= -1.48 (180deg=-4.23!) USER MOD Single : A 34 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.41) USER MOD Single : A 37 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.05) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.08) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.00028) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 99:sc= -0.0693 USER MOD Single : A 62 THR OG1 : rot 140:sc= 0.519 USER MOD Single : A 63 THR OG1 : rot 153:sc= -0.328 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0.511 K(o=0.51,f=-5.2!) USER MOD Single : A 69 HIS : no HD1:sc= -1.15 K(o=-1.1,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ -111:sc= -0.0259 (180deg=-0.38) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -3.5 X(o=-3.5,f=-4!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 136:sc= 1.24 (180deg=1.1) USER MOD Single : A 98 ASN : amide:sc= 0.303 K(o=0.3,f=-2.3) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A -11 MET CE :methyl -131:sc= -0.329 (180deg=-0.649) USER MOD Single : A -11 MET N :NH3+ -172:sc= 0 (180deg=-0.0611) USER MOD Single : A 101 THR OG1 : rot 94:sc= 1.15 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 1.22 (180deg=1.22) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= 0.0482 USER MOD Single : A 136 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN :FLIP amide:sc= -1.53 F(o=-3.9!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 16.964 -28.080 -12.221 1.00 13.25 N ATOM 2 CA MET A -11 17.884 -28.624 -11.195 1.00 13.08 C ATOM 3 C MET A -11 18.470 -27.507 -10.339 1.00 12.76 C ATOM 4 O MET A -11 18.444 -27.577 -9.111 1.00 12.82 O ATOM 5 CB MET A -11 19.014 -29.427 -11.850 1.00 13.51 C ATOM 6 CG MET A -11 18.544 -30.692 -12.550 1.00 13.65 C ATOM 7 SD MET A -11 19.898 -31.648 -13.265 1.00 14.00 S ATOM 8 CE MET A -11 20.527 -30.498 -14.485 1.00 14.47 C ATOM 0 H1 MET A -11 16.476 -28.863 -12.700 1.00 13.25 H new ATOM 0 H2 MET A -11 16.263 -27.462 -11.766 1.00 13.25 H new ATOM 0 H3 MET A -11 17.507 -27.532 -12.919 1.00 13.25 H new ATOM 0 HA MET A -11 17.307 -29.288 -10.552 1.00 13.08 H new ATOM 0 HB2 MET A -11 19.526 -28.792 -12.573 1.00 13.51 H new ATOM 0 HB3 MET A -11 19.745 -29.695 -11.087 1.00 13.51 H new ATOM 0 HG2 MET A -11 18.003 -31.315 -11.838 1.00 13.65 H new ATOM 0 HG3 MET A -11 17.840 -30.424 -13.338 1.00 13.65 H new ATOM 0 HE1 MET A -11 20.637 -31.007 -15.442 1.00 14.47 H new ATOM 0 HE2 MET A -11 19.831 -29.667 -14.594 1.00 14.47 H new ATOM 0 HE3 MET A -11 21.497 -30.119 -14.162 1.00 14.47 H new ATOM 20 N ARG A -10 18.990 -26.466 -10.982 1.00 12.64 N ATOM 21 CA ARG A -10 19.582 -25.352 -10.250 1.00 12.57 C ATOM 22 C ARG A -10 18.506 -24.336 -9.886 1.00 12.08 C ATOM 23 O ARG A -10 18.056 -24.275 -8.740 1.00 12.07 O ATOM 24 CB ARG A -10 20.693 -24.666 -11.063 1.00 13.16 C ATOM 25 CG ARG A -10 21.915 -25.539 -11.334 1.00 13.66 C ATOM 26 CD ARG A -10 21.664 -26.537 -12.452 1.00 14.28 C ATOM 27 NE ARG A -10 22.829 -27.381 -12.713 1.00 14.70 N ATOM 28 CZ ARG A -10 23.111 -27.918 -13.901 1.00 15.36 C ATOM 29 NH1 ARG A -10 22.338 -27.666 -14.956 1.00 15.68 N ATOM 30 NH2 ARG A -10 24.174 -28.700 -14.034 1.00 15.82 N ATOM 0 H ARG A -10 19.014 -26.371 -11.997 1.00 12.64 H new ATOM 0 HA ARG A -10 20.030 -25.753 -9.341 1.00 12.57 H new ATOM 0 HB2 ARG A -10 20.278 -24.339 -12.016 1.00 13.16 H new ATOM 0 HB3 ARG A -10 21.014 -23.770 -10.531 1.00 13.16 H new ATOM 0 HG2 ARG A -10 22.762 -24.906 -11.597 1.00 13.66 H new ATOM 0 HG3 ARG A -10 22.187 -26.074 -10.424 1.00 13.66 H new ATOM 0 HD2 ARG A -10 20.813 -27.166 -12.190 1.00 14.28 H new ATOM 0 HD3 ARG A -10 21.396 -26.000 -13.362 1.00 14.28 H new ATOM 0 HE ARG A -10 23.465 -27.571 -11.939 1.00 14.70 H new ATOM 0 HH11 ARG A -10 21.524 -27.059 -14.859 1.00 15.68 H new ATOM 0 HH12 ARG A -10 22.560 -28.080 -15.861 1.00 15.68 H new ATOM 0 HH21 ARG A -10 24.772 -28.889 -13.230 1.00 15.82 H new ATOM 0 HH22 ARG A -10 24.393 -29.113 -14.941 1.00 15.82 H new ATOM 44 N GLY A -9 18.092 -23.553 -10.871 1.00 11.88 N ATOM 45 CA GLY A -9 17.019 -22.605 -10.670 1.00 11.61 C ATOM 46 C GLY A -9 15.678 -23.212 -11.012 1.00 11.09 C ATOM 47 O GLY A -9 15.576 -24.427 -11.175 1.00 10.90 O ATOM 0 H GLY A -9 18.484 -23.559 -11.812 1.00 11.88 H new ATOM 0 HA2 GLY A -9 17.015 -22.271 -9.632 1.00 11.61 H new ATOM 0 HA3 GLY A -9 17.190 -21.723 -11.288 1.00 11.61 H new ATOM 51 N SER A -8 14.661 -22.370 -11.141 1.00 11.06 N ATOM 52 CA SER A -8 13.301 -22.821 -11.418 1.00 10.81 C ATOM 53 C SER A -8 12.773 -23.681 -10.275 1.00 10.32 C ATOM 54 O SER A -8 12.842 -24.910 -10.313 1.00 10.27 O ATOM 55 CB SER A -8 13.238 -23.592 -12.739 1.00 11.27 C ATOM 56 OG SER A -8 13.745 -22.810 -13.806 1.00 11.68 O ATOM 0 H SER A -8 14.754 -21.358 -11.057 1.00 11.06 H new ATOM 0 HA SER A -8 12.668 -21.938 -11.507 1.00 10.81 H new ATOM 0 HB2 SER A -8 13.813 -24.514 -12.654 1.00 11.27 H new ATOM 0 HB3 SER A -8 12.207 -23.877 -12.950 1.00 11.27 H new ATOM 0 HG SER A -8 13.696 -23.323 -14.640 1.00 11.68 H new ATOM 62 N HIS A -7 12.246 -23.022 -9.253 1.00 10.19 N ATOM 63 CA HIS A -7 11.706 -23.714 -8.092 1.00 9.96 C ATOM 64 C HIS A -7 10.275 -24.172 -8.376 1.00 9.39 C ATOM 65 O HIS A -7 9.320 -23.723 -7.736 1.00 9.36 O ATOM 66 CB HIS A -7 11.770 -22.796 -6.862 1.00 10.47 C ATOM 67 CG HIS A -7 11.336 -23.445 -5.580 1.00 10.82 C ATOM 68 ND1 HIS A -7 12.084 -24.395 -4.922 1.00 11.40 N ATOM 69 CD2 HIS A -7 10.223 -23.263 -4.833 1.00 10.91 C ATOM 70 CE1 HIS A -7 11.451 -24.770 -3.826 1.00 11.79 C ATOM 71 NE2 HIS A -7 10.319 -24.098 -3.749 1.00 11.52 N ATOM 0 H HIS A -7 12.181 -22.005 -9.205 1.00 10.19 H new ATOM 0 HA HIS A -7 12.305 -24.600 -7.883 1.00 9.96 H new ATOM 0 HB2 HIS A -7 12.792 -22.437 -6.745 1.00 10.47 H new ATOM 0 HB3 HIS A -7 11.144 -21.922 -7.043 1.00 10.47 H new ATOM 0 HD2 HIS A -7 9.410 -22.586 -5.050 1.00 10.91 H new ATOM 0 HE1 HIS A -7 11.801 -25.503 -3.114 1.00 11.79 H new ATOM 0 HE2 HIS A -7 9.627 -24.185 -3.004 1.00 11.52 H new ATOM 80 N HIS A -6 10.148 -25.058 -9.367 1.00 9.18 N ATOM 81 CA HIS A -6 8.867 -25.645 -9.777 1.00 8.88 C ATOM 82 C HIS A -6 7.966 -24.626 -10.474 1.00 8.15 C ATOM 83 O HIS A -6 7.588 -24.814 -11.632 1.00 8.11 O ATOM 84 CB HIS A -6 8.134 -26.283 -8.590 1.00 9.21 C ATOM 85 CG HIS A -6 8.790 -27.528 -8.071 1.00 9.81 C ATOM 86 ND1 HIS A -6 8.319 -28.794 -8.343 1.00 10.31 N ATOM 87 CD2 HIS A -6 9.879 -27.697 -7.285 1.00 10.25 C ATOM 88 CE1 HIS A -6 9.087 -29.685 -7.749 1.00 10.98 C ATOM 89 NE2 HIS A -6 10.042 -29.046 -7.101 1.00 10.96 N ATOM 0 H HIS A -6 10.941 -25.393 -9.915 1.00 9.18 H new ATOM 0 HA HIS A -6 9.101 -26.429 -10.497 1.00 8.88 H new ATOM 0 HB2 HIS A -6 8.068 -25.555 -7.782 1.00 9.21 H new ATOM 0 HB3 HIS A -6 7.113 -26.520 -8.890 1.00 9.21 H new ATOM 0 HD2 HIS A -6 10.503 -26.915 -6.879 1.00 10.25 H new ATOM 0 HE1 HIS A -6 8.957 -30.756 -7.786 1.00 10.98 H new ATOM 0 HE2 HIS A -6 10.782 -29.484 -6.552 1.00 10.96 H new ATOM 98 N HIS A -5 7.636 -23.544 -9.787 1.00 7.83 N ATOM 99 CA HIS A -5 6.720 -22.552 -10.330 1.00 7.37 C ATOM 100 C HIS A -5 7.276 -21.137 -10.170 1.00 7.17 C ATOM 101 O HIS A -5 7.642 -20.721 -9.070 1.00 7.21 O ATOM 102 CB HIS A -5 5.333 -22.669 -9.673 1.00 7.73 C ATOM 103 CG HIS A -5 5.307 -22.444 -8.184 1.00 8.16 C ATOM 104 ND1 HIS A -5 4.773 -21.314 -7.605 1.00 8.81 N ATOM 105 CD2 HIS A -5 5.728 -23.223 -7.158 1.00 8.33 C ATOM 106 CE1 HIS A -5 4.868 -21.405 -6.293 1.00 9.31 C ATOM 107 NE2 HIS A -5 5.443 -22.554 -5.993 1.00 9.05 N ATOM 0 H HIS A -5 7.988 -23.330 -8.854 1.00 7.83 H new ATOM 0 HA HIS A -5 6.612 -22.750 -11.396 1.00 7.37 H new ATOM 0 HB2 HIS A -5 4.664 -21.950 -10.145 1.00 7.73 H new ATOM 0 HB3 HIS A -5 4.933 -23.661 -9.881 1.00 7.73 H new ATOM 0 HD1 HIS A -5 4.367 -20.528 -8.113 1.00 8.81 H new ATOM 0 HD2 HIS A -5 6.200 -24.191 -7.241 1.00 8.33 H new ATOM 0 HE1 HIS A -5 4.532 -20.664 -5.583 1.00 9.31 H new ATOM 116 N HIS A -4 7.366 -20.420 -11.285 1.00 7.32 N ATOM 117 CA HIS A -4 7.781 -19.019 -11.267 1.00 7.52 C ATOM 118 C HIS A -4 6.567 -18.106 -11.200 1.00 6.89 C ATOM 119 O HIS A -4 6.367 -17.394 -10.220 1.00 6.96 O ATOM 120 CB HIS A -4 8.611 -18.668 -12.505 1.00 8.42 C ATOM 121 CG HIS A -4 10.019 -19.171 -12.467 1.00 9.12 C ATOM 122 ND1 HIS A -4 10.549 -19.997 -13.434 1.00 9.86 N ATOM 123 CD2 HIS A -4 11.020 -18.935 -11.587 1.00 9.44 C ATOM 124 CE1 HIS A -4 11.813 -20.243 -13.153 1.00 10.54 C ATOM 125 NE2 HIS A -4 12.123 -19.611 -12.037 1.00 10.32 N ATOM 0 H HIS A -4 7.157 -20.785 -12.214 1.00 7.32 H new ATOM 0 HA HIS A -4 8.398 -18.872 -10.380 1.00 7.52 H new ATOM 0 HB2 HIS A -4 8.116 -19.075 -13.387 1.00 8.42 H new ATOM 0 HB3 HIS A -4 8.628 -17.584 -12.621 1.00 8.42 H new ATOM 0 HD2 HIS A -4 10.960 -18.327 -10.696 1.00 9.44 H new ATOM 0 HE1 HIS A -4 12.482 -20.858 -13.737 1.00 10.54 H new ATOM 0 HE2 HIS A -4 13.036 -19.624 -11.583 1.00 10.32 H new ATOM 134 N HIS A -3 5.750 -18.139 -12.247 1.00 6.56 N ATOM 135 CA HIS A -3 4.555 -17.305 -12.301 1.00 6.26 C ATOM 136 C HIS A -3 3.292 -18.162 -12.314 1.00 5.53 C ATOM 137 O HIS A -3 2.183 -17.653 -12.466 1.00 5.80 O ATOM 138 CB HIS A -3 4.591 -16.338 -13.499 1.00 7.01 C ATOM 139 CG HIS A -3 4.881 -16.968 -14.832 1.00 7.57 C ATOM 140 ND1 HIS A -3 3.926 -17.145 -15.808 1.00 8.09 N ATOM 141 CD2 HIS A -3 6.042 -17.420 -15.364 1.00 8.00 C ATOM 142 CE1 HIS A -3 4.485 -17.678 -16.876 1.00 8.73 C ATOM 143 NE2 HIS A -3 5.769 -17.856 -16.635 1.00 8.69 N ATOM 0 H HIS A -3 5.892 -18.731 -13.066 1.00 6.56 H new ATOM 0 HA HIS A -3 4.536 -16.696 -11.397 1.00 6.26 H new ATOM 0 HB2 HIS A -3 3.630 -15.827 -13.560 1.00 7.01 H new ATOM 0 HB3 HIS A -3 5.346 -15.576 -13.305 1.00 7.01 H new ATOM 0 HD2 HIS A -3 7.006 -17.434 -14.877 1.00 8.00 H new ATOM 0 HE1 HIS A -3 3.976 -17.927 -17.795 1.00 8.73 H new ATOM 0 HE2 HIS A -3 6.447 -18.252 -17.286 1.00 8.69 H new ATOM 152 N HIS A -2 3.471 -19.467 -12.163 1.00 4.92 N ATOM 153 CA HIS A -2 2.351 -20.363 -11.899 1.00 4.50 C ATOM 154 C HIS A -2 2.002 -20.287 -10.426 1.00 3.71 C ATOM 155 O HIS A -2 2.748 -20.783 -9.582 1.00 3.80 O ATOM 156 CB HIS A -2 2.685 -21.808 -12.273 1.00 4.97 C ATOM 157 CG HIS A -2 2.292 -22.186 -13.663 1.00 5.64 C ATOM 158 ND1 HIS A -2 3.071 -22.979 -14.475 1.00 6.23 N ATOM 159 CD2 HIS A -2 1.175 -21.907 -14.375 1.00 6.23 C ATOM 160 CE1 HIS A -2 2.452 -23.169 -15.623 1.00 7.04 C ATOM 161 NE2 HIS A -2 1.299 -22.530 -15.588 1.00 7.06 N ATOM 0 H HIS A -2 4.379 -19.929 -12.218 1.00 4.92 H new ATOM 0 HA HIS A -2 1.505 -20.049 -12.510 1.00 4.50 H new ATOM 0 HB2 HIS A -2 3.757 -21.963 -12.155 1.00 4.97 H new ATOM 0 HB3 HIS A -2 2.187 -22.478 -11.572 1.00 4.97 H new ATOM 0 HD2 HIS A -2 0.341 -21.305 -14.047 1.00 6.23 H new ATOM 0 HE1 HIS A -2 2.826 -23.750 -16.453 1.00 7.04 H new ATOM 0 HE2 HIS A -2 0.612 -22.504 -16.341 1.00 7.06 H new ATOM 170 N GLY A -1 0.890 -19.648 -10.120 1.00 3.50 N ATOM 171 CA GLY A -1 0.536 -19.422 -8.739 1.00 3.30 C ATOM 172 C GLY A -1 1.452 -18.398 -8.103 1.00 2.92 C ATOM 173 O GLY A -1 2.220 -17.728 -8.798 1.00 3.15 O ATOM 0 H GLY A -1 0.226 -19.281 -10.802 1.00 3.50 H new ATOM 0 HA2 GLY A -1 -0.497 -19.079 -8.676 1.00 3.30 H new ATOM 0 HA3 GLY A -1 0.595 -20.360 -8.187 1.00 3.30 H new ATOM 177 N SER A 0 1.386 -18.270 -6.794 1.00 2.55 N ATOM 178 CA SER A 0 2.224 -17.321 -6.090 1.00 2.25 C ATOM 179 C SER A 0 2.723 -17.905 -4.783 1.00 1.76 C ATOM 180 O SER A 0 2.644 -19.113 -4.556 1.00 1.80 O ATOM 181 CB SER A 0 1.447 -16.043 -5.804 1.00 2.52 C ATOM 182 OG SER A 0 0.930 -15.486 -6.997 1.00 3.11 O ATOM 0 H SER A 0 0.761 -18.811 -6.196 1.00 2.55 H new ATOM 0 HA SER A 0 3.080 -17.094 -6.726 1.00 2.25 H new ATOM 0 HB2 SER A 0 0.630 -16.256 -5.114 1.00 2.52 H new ATOM 0 HB3 SER A 0 2.098 -15.320 -5.313 1.00 2.52 H new ATOM 0 HG SER A 0 0.871 -14.512 -6.905 1.00 3.11 H new ATOM 188 N LYS A 1 3.243 -17.040 -3.933 1.00 1.47 N ATOM 189 CA LYS A 1 3.671 -17.432 -2.610 1.00 1.17 C ATOM 190 C LYS A 1 2.549 -17.175 -1.616 1.00 1.02 C ATOM 191 O LYS A 1 1.500 -16.641 -1.970 1.00 1.17 O ATOM 192 CB LYS A 1 4.902 -16.622 -2.198 1.00 1.31 C ATOM 193 CG LYS A 1 5.921 -16.453 -3.307 1.00 1.65 C ATOM 194 CD LYS A 1 7.165 -15.730 -2.817 1.00 2.03 C ATOM 195 CE LYS A 1 8.255 -15.709 -3.876 1.00 2.38 C ATOM 196 NZ LYS A 1 8.690 -17.079 -4.256 1.00 2.99 N ATOM 0 H LYS A 1 3.379 -16.051 -4.142 1.00 1.47 H new ATOM 0 HA LYS A 1 3.922 -18.493 -2.618 1.00 1.17 H new ATOM 0 HB2 LYS A 1 4.581 -15.637 -1.859 1.00 1.31 H new ATOM 0 HB3 LYS A 1 5.380 -17.111 -1.349 1.00 1.31 H new ATOM 0 HG2 LYS A 1 6.199 -17.431 -3.699 1.00 1.65 H new ATOM 0 HG3 LYS A 1 5.475 -15.894 -4.130 1.00 1.65 H new ATOM 0 HD2 LYS A 1 6.907 -14.708 -2.540 1.00 2.03 H new ATOM 0 HD3 LYS A 1 7.540 -16.219 -1.918 1.00 2.03 H new ATOM 0 HE2 LYS A 1 7.891 -15.186 -4.760 1.00 2.38 H new ATOM 0 HE3 LYS A 1 9.111 -15.147 -3.503 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 9.621 -17.032 -4.717 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 8.755 -17.672 -3.404 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 7.999 -17.493 -4.914 1.00 2.99 H new ATOM 210 N THR A 2 2.769 -17.587 -0.394 1.00 0.86 N ATOM 211 CA THR A 2 1.924 -17.189 0.711 1.00 0.81 C ATOM 212 C THR A 2 2.554 -15.973 1.379 1.00 0.66 C ATOM 213 O THR A 2 3.781 -15.865 1.426 1.00 0.64 O ATOM 214 CB THR A 2 1.779 -18.334 1.729 1.00 0.86 C ATOM 215 OG1 THR A 2 1.354 -19.528 1.057 1.00 0.99 O ATOM 216 CG2 THR A 2 0.774 -17.978 2.810 1.00 0.92 C ATOM 0 H THR A 2 3.536 -18.207 -0.133 1.00 0.86 H new ATOM 0 HA THR A 2 0.928 -16.945 0.340 1.00 0.81 H new ATOM 0 HB THR A 2 2.749 -18.498 2.198 1.00 0.86 H new ATOM 0 HG1 THR A 2 0.376 -19.583 1.076 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.691 -18.804 3.516 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.107 -17.083 3.336 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.199 -17.790 2.355 1.00 0.92 H new ATOM 224 N LEU A 3 1.728 -15.047 1.858 1.00 0.59 N ATOM 225 CA LEU A 3 2.235 -13.824 2.467 1.00 0.50 C ATOM 226 C LEU A 3 3.069 -14.138 3.693 1.00 0.49 C ATOM 227 O LEU A 3 2.579 -14.737 4.650 1.00 0.53 O ATOM 228 CB LEU A 3 1.104 -12.877 2.868 1.00 0.49 C ATOM 229 CG LEU A 3 0.932 -11.628 1.999 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.084 -10.610 2.730 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.275 -11.017 1.633 1.00 0.49 C ATOM 0 H LEU A 3 0.711 -15.120 1.836 1.00 0.59 H new ATOM 0 HA LEU A 3 2.853 -13.333 1.716 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.168 -13.435 2.855 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.271 -12.559 3.897 1.00 0.49 H new ATOM 0 HG LEU A 3 0.435 -11.924 1.075 1.00 0.35 H new ATOM 0 HD11 LEU A 3 -0.036 -9.723 2.108 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.895 -11.038 2.944 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.572 -10.335 3.665 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.116 -10.133 1.016 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.806 -10.735 2.542 1.00 0.49 H new ATOM 0 HD23 LEU A 3 2.867 -11.745 1.078 1.00 0.49 H new ATOM 243 N PRO A 4 4.344 -13.742 3.678 1.00 0.50 N ATOM 244 CA PRO A 4 5.214 -13.902 4.828 1.00 0.54 C ATOM 245 C PRO A 4 4.838 -12.923 5.934 1.00 0.47 C ATOM 246 O PRO A 4 4.504 -11.763 5.673 1.00 0.42 O ATOM 247 CB PRO A 4 6.612 -13.608 4.277 1.00 0.60 C ATOM 248 CG PRO A 4 6.394 -12.764 3.068 1.00 0.61 C ATOM 249 CD PRO A 4 5.024 -13.101 2.538 1.00 0.52 C ATOM 0 HA PRO A 4 5.144 -14.893 5.276 1.00 0.54 H new ATOM 0 HB2 PRO A 4 7.223 -13.087 5.014 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.136 -14.530 4.023 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.461 -11.705 3.319 1.00 0.61 H new ATOM 0 HG3 PRO A 4 7.158 -12.962 2.316 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.493 -12.208 2.209 1.00 0.52 H new ATOM 0 HD3 PRO A 4 5.082 -13.771 1.681 1.00 0.52 H new ATOM 257 N ASP A 5 4.891 -13.422 7.166 1.00 0.51 N ATOM 258 CA ASP A 5 4.491 -12.674 8.362 1.00 0.51 C ATOM 259 C ASP A 5 5.172 -11.311 8.443 1.00 0.45 C ATOM 260 O ASP A 5 4.645 -10.387 9.066 1.00 0.44 O ATOM 261 CB ASP A 5 4.802 -13.514 9.607 1.00 0.63 C ATOM 262 CG ASP A 5 4.776 -12.718 10.896 1.00 1.50 C ATOM 263 OD1 ASP A 5 3.675 -12.389 11.384 1.00 2.09 O ATOM 264 OD2 ASP A 5 5.865 -12.444 11.444 1.00 2.19 O ATOM 0 H ASP A 5 5.216 -14.367 7.368 1.00 0.51 H new ATOM 0 HA ASP A 5 3.419 -12.483 8.305 1.00 0.51 H new ATOM 0 HB2 ASP A 5 4.079 -14.327 9.677 1.00 0.63 H new ATOM 0 HB3 ASP A 5 5.785 -13.971 9.491 1.00 0.63 H new ATOM 269 N LYS A 6 6.342 -11.199 7.819 1.00 0.45 N ATOM 270 CA LYS A 6 7.058 -9.931 7.699 1.00 0.45 C ATOM 271 C LYS A 6 6.133 -8.772 7.317 1.00 0.38 C ATOM 272 O LYS A 6 6.198 -7.701 7.913 1.00 0.42 O ATOM 273 CB LYS A 6 8.162 -10.054 6.644 1.00 0.56 C ATOM 274 CG LYS A 6 9.282 -11.008 7.020 1.00 1.10 C ATOM 275 CD LYS A 6 10.108 -10.472 8.179 1.00 1.64 C ATOM 276 CE LYS A 6 11.302 -11.368 8.474 1.00 2.01 C ATOM 277 NZ LYS A 6 12.216 -11.476 7.306 1.00 2.53 N ATOM 0 H LYS A 6 6.821 -11.986 7.382 1.00 0.45 H new ATOM 0 HA LYS A 6 7.485 -9.712 8.678 1.00 0.45 H new ATOM 0 HB2 LYS A 6 7.717 -10.386 5.706 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.587 -9.067 6.463 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.861 -11.976 7.290 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.927 -11.171 6.157 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.456 -9.466 7.945 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.482 -10.394 9.068 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.850 -10.972 9.329 1.00 2.01 H new ATOM 0 HE3 LYS A 6 10.950 -12.361 8.753 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 13.143 -11.826 7.622 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 11.815 -12.138 6.611 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 12.330 -10.540 6.867 1.00 2.53 H new ATOM 291 N PHE A 7 5.264 -8.988 6.336 1.00 0.36 N ATOM 292 CA PHE A 7 4.462 -7.898 5.796 1.00 0.35 C ATOM 293 C PHE A 7 3.127 -7.773 6.508 1.00 0.32 C ATOM 294 O PHE A 7 2.294 -6.967 6.118 1.00 0.35 O ATOM 295 CB PHE A 7 4.219 -8.099 4.297 1.00 0.39 C ATOM 296 CG PHE A 7 5.480 -8.159 3.487 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.355 -7.088 3.471 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.786 -9.283 2.740 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.516 -7.139 2.729 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.947 -9.338 1.995 1.00 0.54 C ATOM 301 CZ PHE A 7 7.812 -8.266 1.990 1.00 0.57 C ATOM 0 H PHE A 7 5.098 -9.897 5.903 1.00 0.36 H new ATOM 0 HA PHE A 7 5.025 -6.978 5.956 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.658 -9.022 4.149 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.597 -7.284 3.926 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.126 -6.203 4.046 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.110 -10.125 2.740 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.193 -6.298 2.726 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.177 -10.221 1.417 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.721 -8.308 1.408 1.00 0.57 H new ATOM 311 N LEU A 8 2.925 -8.551 7.559 1.00 0.30 N ATOM 312 CA LEU A 8 1.636 -8.586 8.221 1.00 0.29 C ATOM 313 C LEU A 8 1.640 -7.765 9.501 1.00 0.29 C ATOM 314 O LEU A 8 2.573 -7.831 10.305 1.00 0.33 O ATOM 315 CB LEU A 8 1.237 -10.031 8.491 1.00 0.34 C ATOM 316 CG LEU A 8 1.071 -10.866 7.223 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.760 -12.310 7.558 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.018 -10.268 6.348 1.00 0.35 C ATOM 0 H LEU A 8 3.632 -9.162 7.968 1.00 0.30 H new ATOM 0 HA LEU A 8 0.896 -8.134 7.560 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.992 -10.495 9.126 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.301 -10.043 9.049 1.00 0.34 H new ATOM 0 HG LEU A 8 2.012 -10.851 6.673 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.647 -12.881 6.636 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.575 -12.730 8.148 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.166 -12.359 8.131 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.131 -10.869 5.446 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.960 -10.257 6.896 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.254 -9.249 6.074 1.00 0.35 H new ATOM 330 N GLY A 9 0.578 -6.995 9.667 1.00 0.32 N ATOM 331 CA GLY A 9 0.442 -6.105 10.794 1.00 0.33 C ATOM 332 C GLY A 9 -0.163 -4.782 10.379 1.00 0.31 C ATOM 333 O GLY A 9 -0.388 -4.543 9.194 1.00 0.52 O ATOM 0 H GLY A 9 -0.211 -6.974 9.021 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.184 -6.571 11.555 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.419 -5.935 11.246 1.00 0.33 H new ATOM 337 N THR A 10 -0.447 -3.932 11.346 1.00 0.34 N ATOM 338 CA THR A 10 -0.969 -2.612 11.065 1.00 0.35 C ATOM 339 C THR A 10 0.086 -1.562 11.400 1.00 0.32 C ATOM 340 O THR A 10 0.717 -1.632 12.452 1.00 0.40 O ATOM 341 CB THR A 10 -2.251 -2.367 11.873 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.093 -3.526 11.784 1.00 1.05 O ATOM 343 CG2 THR A 10 -3.001 -1.162 11.344 1.00 0.99 C ATOM 0 H THR A 10 -0.324 -4.135 12.338 1.00 0.34 H new ATOM 0 HA THR A 10 -1.214 -2.539 10.005 1.00 0.35 H new ATOM 0 HB THR A 10 -1.978 -2.177 12.911 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.913 -3.375 12.300 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.905 -1.009 11.933 1.00 0.99 H new ATOM 0 HG22 THR A 10 -2.367 -0.278 11.416 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.271 -1.330 10.301 1.00 0.99 H new ATOM 351 N PHE A 11 0.305 -0.621 10.494 1.00 0.27 N ATOM 352 CA PHE A 11 1.378 0.355 10.647 1.00 0.27 C ATOM 353 C PHE A 11 0.870 1.782 10.489 1.00 0.28 C ATOM 354 O PHE A 11 0.056 2.058 9.608 1.00 0.32 O ATOM 355 CB PHE A 11 2.468 0.112 9.588 1.00 0.31 C ATOM 356 CG PHE A 11 2.879 -1.327 9.413 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.949 -1.848 10.129 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.192 -2.162 8.548 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.322 -3.169 9.980 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.564 -3.484 8.396 1.00 0.43 C ATOM 361 CZ PHE A 11 3.643 -3.978 9.064 1.00 0.44 C ATOM 0 H PHE A 11 -0.246 -0.511 9.643 1.00 0.27 H new ATOM 0 HA PHE A 11 1.782 0.232 11.652 1.00 0.27 H new ATOM 0 HB2 PHE A 11 2.113 0.491 8.630 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.349 0.695 9.855 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.496 -1.213 10.810 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.355 -1.775 7.985 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.133 -3.575 10.567 1.00 0.47 H new ATOM 0 HE2 PHE A 11 1.995 -4.130 7.743 1.00 0.43 H new ATOM 0 HZ PHE A 11 3.973 -4.991 8.887 1.00 0.44 H new ATOM 371 N LYS A 12 1.361 2.691 11.337 1.00 0.29 N ATOM 372 CA LYS A 12 1.146 4.123 11.126 1.00 0.33 C ATOM 373 C LYS A 12 2.093 4.640 10.038 1.00 0.27 C ATOM 374 O LYS A 12 2.776 3.864 9.373 1.00 0.69 O ATOM 375 CB LYS A 12 1.415 4.906 12.412 1.00 0.48 C ATOM 376 CG LYS A 12 0.609 4.443 13.601 1.00 0.78 C ATOM 377 CD LYS A 12 0.875 5.308 14.822 1.00 1.28 C ATOM 378 CE LYS A 12 0.396 6.736 14.614 1.00 1.72 C ATOM 379 NZ LYS A 12 0.803 7.628 15.728 1.00 2.19 N ATOM 0 H LYS A 12 1.905 2.462 12.169 1.00 0.29 H new ATOM 0 HA LYS A 12 0.109 4.265 10.823 1.00 0.33 H new ATOM 0 HB2 LYS A 12 2.475 4.830 12.655 1.00 0.48 H new ATOM 0 HB3 LYS A 12 1.204 5.960 12.233 1.00 0.48 H new ATOM 0 HG2 LYS A 12 -0.453 4.473 13.357 1.00 0.78 H new ATOM 0 HG3 LYS A 12 0.855 3.406 13.828 1.00 0.78 H new ATOM 0 HD2 LYS A 12 0.373 4.878 15.689 1.00 1.28 H new ATOM 0 HD3 LYS A 12 1.943 5.310 15.041 1.00 1.28 H new ATOM 0 HE2 LYS A 12 0.798 7.120 13.677 1.00 1.72 H new ATOM 0 HE3 LYS A 12 -0.690 6.744 14.522 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 0.456 8.591 15.546 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 0.398 7.277 16.619 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 1.840 7.642 15.801 1.00 2.19 H new ATOM 393 N LEU A 13 2.191 5.956 9.919 1.00 0.60 N ATOM 394 CA LEU A 13 3.005 6.578 8.880 1.00 0.50 C ATOM 395 C LEU A 13 3.919 7.610 9.514 1.00 0.46 C ATOM 396 O LEU A 13 3.447 8.581 10.107 1.00 0.52 O ATOM 397 CB LEU A 13 2.126 7.247 7.819 1.00 0.52 C ATOM 398 CG LEU A 13 2.890 8.060 6.770 1.00 0.55 C ATOM 399 CD1 LEU A 13 3.762 7.158 5.912 1.00 1.14 C ATOM 400 CD2 LEU A 13 1.928 8.857 5.905 1.00 1.04 C ATOM 0 H LEU A 13 1.715 6.618 10.532 1.00 0.60 H new ATOM 0 HA LEU A 13 3.598 5.805 8.391 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.546 6.477 7.310 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.414 7.904 8.319 1.00 0.52 H new ATOM 0 HG LEU A 13 3.541 8.760 7.294 1.00 0.55 H new ATOM 0 HD11 LEU A 13 4.294 7.760 5.175 1.00 1.14 H new ATOM 0 HD12 LEU A 13 4.482 6.639 6.545 1.00 1.14 H new ATOM 0 HD13 LEU A 13 3.136 6.427 5.400 1.00 1.14 H new ATOM 0 HD21 LEU A 13 2.491 9.428 5.166 1.00 1.04 H new ATOM 0 HD22 LEU A 13 1.247 8.175 5.395 1.00 1.04 H new ATOM 0 HD23 LEU A 13 1.355 9.540 6.532 1.00 1.04 H new ATOM 412 N GLU A 14 5.222 7.406 9.412 1.00 0.45 N ATOM 413 CA GLU A 14 6.159 8.264 10.110 1.00 0.48 C ATOM 414 C GLU A 14 6.885 9.220 9.162 1.00 0.45 C ATOM 415 O GLU A 14 7.026 10.406 9.465 1.00 0.49 O ATOM 416 CB GLU A 14 7.164 7.397 10.863 1.00 0.55 C ATOM 417 CG GLU A 14 8.023 8.156 11.855 1.00 0.67 C ATOM 418 CD GLU A 14 8.879 7.228 12.683 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.019 6.940 12.268 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.414 6.769 13.747 1.00 1.56 O ATOM 0 H GLU A 14 5.649 6.663 8.859 1.00 0.45 H new ATOM 0 HA GLU A 14 5.597 8.881 10.811 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.624 6.613 11.393 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.814 6.904 10.140 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.662 8.858 11.319 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.384 8.745 12.513 1.00 0.67 H new ATOM 427 N ARG A 15 7.348 8.711 8.024 1.00 0.42 N ATOM 428 CA ARG A 15 8.168 9.511 7.121 1.00 0.44 C ATOM 429 C ARG A 15 7.859 9.213 5.656 1.00 0.37 C ATOM 430 O ARG A 15 7.390 8.131 5.311 1.00 0.38 O ATOM 431 CB ARG A 15 9.652 9.240 7.411 1.00 0.51 C ATOM 432 CG ARG A 15 10.620 10.044 6.559 1.00 0.53 C ATOM 433 CD ARG A 15 10.479 11.530 6.825 1.00 0.77 C ATOM 434 NE ARG A 15 11.381 12.322 5.996 1.00 1.68 N ATOM 435 CZ ARG A 15 12.020 13.410 6.416 1.00 2.34 C ATOM 436 NH1 ARG A 15 11.837 13.865 7.653 1.00 2.45 N ATOM 437 NH2 ARG A 15 12.840 14.039 5.590 1.00 3.36 N ATOM 0 H ARG A 15 7.171 7.758 7.708 1.00 0.42 H new ATOM 0 HA ARG A 15 7.938 10.562 7.294 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.848 9.455 8.461 1.00 0.51 H new ATOM 0 HB3 ARG A 15 9.850 8.179 7.260 1.00 0.51 H new ATOM 0 HG2 ARG A 15 11.642 9.729 6.770 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.435 9.841 5.504 1.00 0.53 H new ATOM 0 HD2 ARG A 15 9.450 11.836 6.636 1.00 0.77 H new ATOM 0 HD3 ARG A 15 10.683 11.731 7.877 1.00 0.77 H new ATOM 0 HE ARG A 15 11.531 12.022 5.033 1.00 1.68 H new ATOM 0 HH11 ARG A 15 11.203 13.379 8.287 1.00 2.45 H new ATOM 0 HH12 ARG A 15 12.331 14.700 7.967 1.00 2.45 H new ATOM 0 HH21 ARG A 15 12.977 13.688 4.642 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.335 14.875 5.901 1.00 3.36 H new ATOM 451 N ASP A 16 8.123 10.194 4.807 1.00 0.38 N ATOM 452 CA ASP A 16 8.016 10.036 3.361 1.00 0.43 C ATOM 453 C ASP A 16 9.146 10.802 2.688 1.00 0.39 C ATOM 454 O ASP A 16 9.583 11.837 3.193 1.00 0.52 O ATOM 455 CB ASP A 16 6.658 10.531 2.847 1.00 0.66 C ATOM 456 CG ASP A 16 6.431 12.011 3.094 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.874 12.368 4.152 1.00 1.19 O ATOM 458 OD2 ASP A 16 6.820 12.826 2.236 1.00 0.72 O ATOM 0 H ASP A 16 8.418 11.125 5.100 1.00 0.38 H new ATOM 0 HA ASP A 16 8.095 8.976 3.118 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.587 10.332 1.778 1.00 0.66 H new ATOM 0 HB3 ASP A 16 5.864 9.962 3.331 1.00 0.66 H new ATOM 463 N GLU A 17 9.622 10.291 1.560 1.00 0.36 N ATOM 464 CA GLU A 17 10.763 10.880 0.865 1.00 0.38 C ATOM 465 C GLU A 17 10.533 10.898 -0.642 1.00 0.40 C ATOM 466 O GLU A 17 10.227 9.862 -1.229 1.00 0.83 O ATOM 467 CB GLU A 17 12.035 10.091 1.177 1.00 0.48 C ATOM 468 CG GLU A 17 12.586 10.331 2.571 1.00 1.18 C ATOM 469 CD GLU A 17 13.126 11.735 2.736 1.00 1.83 C ATOM 470 OE1 GLU A 17 12.445 12.562 3.375 1.00 2.66 O ATOM 471 OE2 GLU A 17 14.231 12.018 2.234 1.00 2.13 O ATOM 0 H GLU A 17 9.234 9.465 1.104 1.00 0.36 H new ATOM 0 HA GLU A 17 10.877 11.906 1.214 1.00 0.38 H new ATOM 0 HB2 GLU A 17 11.829 9.027 1.058 1.00 0.48 H new ATOM 0 HB3 GLU A 17 12.800 10.351 0.446 1.00 0.48 H new ATOM 0 HG2 GLU A 17 11.800 10.157 3.306 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.379 9.612 2.776 1.00 1.18 H new ATOM 478 N ASN A 18 10.673 12.082 -1.248 1.00 0.34 N ATOM 479 CA ASN A 18 10.568 12.256 -2.705 1.00 0.30 C ATOM 480 C ASN A 18 9.120 12.059 -3.171 1.00 0.28 C ATOM 481 O ASN A 18 8.848 11.769 -4.342 1.00 0.27 O ATOM 482 CB ASN A 18 11.511 11.275 -3.421 1.00 0.32 C ATOM 483 CG ASN A 18 11.794 11.651 -4.862 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.806 12.824 -5.224 1.00 0.76 O ATOM 485 ND2 ASN A 18 12.043 10.652 -5.695 1.00 0.66 N ATOM 0 H ASN A 18 10.862 12.948 -0.744 1.00 0.34 H new ATOM 0 HA ASN A 18 10.866 13.273 -2.959 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.453 11.225 -2.875 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.073 10.277 -3.393 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.254 10.845 -6.674 1.00 0.66 H new ATOM 0 HD22 ASN A 18 12.024 9.690 -5.357 1.00 0.66 H new ATOM 492 N PHE A 19 8.190 12.254 -2.243 1.00 0.30 N ATOM 493 CA PHE A 19 6.786 11.970 -2.503 1.00 0.31 C ATOM 494 C PHE A 19 6.147 13.062 -3.354 1.00 0.31 C ATOM 495 O PHE A 19 5.341 12.771 -4.237 1.00 0.32 O ATOM 496 CB PHE A 19 6.014 11.789 -1.193 1.00 0.37 C ATOM 497 CG PHE A 19 4.605 11.309 -1.401 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.360 10.095 -2.025 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.529 12.071 -0.982 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.067 9.652 -2.230 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.233 11.633 -1.180 1.00 0.48 C ATOM 502 CZ PHE A 19 2.002 10.421 -1.807 1.00 0.44 C ATOM 0 H PHE A 19 8.384 12.607 -1.306 1.00 0.30 H new ATOM 0 HA PHE A 19 6.738 11.036 -3.063 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.545 11.077 -0.561 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.993 12.738 -0.656 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.190 9.488 -2.355 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.704 13.019 -0.495 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.890 8.706 -2.720 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.402 12.236 -0.846 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.990 10.078 -1.965 1.00 0.44 H new ATOM 512 N ASP A 20 6.498 14.317 -3.084 1.00 0.33 N ATOM 513 CA ASP A 20 5.998 15.438 -3.878 1.00 0.37 C ATOM 514 C ASP A 20 6.349 15.237 -5.347 1.00 0.33 C ATOM 515 O ASP A 20 5.483 15.313 -6.221 1.00 0.33 O ATOM 516 CB ASP A 20 6.598 16.756 -3.382 1.00 0.46 C ATOM 517 CG ASP A 20 5.865 17.979 -3.908 1.00 1.08 C ATOM 518 OD1 ASP A 20 5.680 18.072 -5.141 1.00 1.22 O ATOM 519 OD2 ASP A 20 5.464 18.845 -3.108 1.00 2.04 O ATOM 0 H ASP A 20 7.124 14.583 -2.324 1.00 0.33 H new ATOM 0 HA ASP A 20 4.914 15.480 -3.769 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.580 16.769 -2.292 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.644 16.809 -3.684 1.00 0.46 H new ATOM 524 N GLU A 21 7.626 14.960 -5.600 1.00 0.34 N ATOM 525 CA GLU A 21 8.112 14.694 -6.949 1.00 0.35 C ATOM 526 C GLU A 21 7.294 13.594 -7.613 1.00 0.31 C ATOM 527 O GLU A 21 6.938 13.695 -8.793 1.00 0.34 O ATOM 528 CB GLU A 21 9.577 14.289 -6.913 1.00 0.41 C ATOM 529 CG GLU A 21 10.491 15.382 -6.397 1.00 0.51 C ATOM 530 CD GLU A 21 10.471 16.625 -7.259 1.00 1.14 C ATOM 531 OE1 GLU A 21 11.119 16.620 -8.329 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.819 17.615 -6.870 1.00 1.79 O ATOM 0 H GLU A 21 8.347 14.914 -4.880 1.00 0.34 H new ATOM 0 HA GLU A 21 8.006 15.609 -7.531 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.687 13.406 -6.283 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.893 14.005 -7.917 1.00 0.41 H new ATOM 0 HG2 GLU A 21 10.195 15.646 -5.382 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.511 15.000 -6.343 1.00 0.51 H new ATOM 539 N TYR A 22 6.998 12.548 -6.848 1.00 0.29 N ATOM 540 CA TYR A 22 6.174 11.450 -7.330 1.00 0.28 C ATOM 541 C TYR A 22 4.781 11.940 -7.730 1.00 0.30 C ATOM 542 O TYR A 22 4.234 11.514 -8.749 1.00 0.33 O ATOM 543 CB TYR A 22 6.064 10.372 -6.255 1.00 0.30 C ATOM 544 CG TYR A 22 5.198 9.202 -6.653 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.876 9.121 -6.236 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.701 8.180 -7.444 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.084 8.053 -6.597 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.911 7.110 -7.810 1.00 0.44 C ATOM 549 CZ TYR A 22 3.604 7.051 -7.382 1.00 0.50 C ATOM 550 OH TYR A 22 2.819 5.985 -7.743 1.00 0.57 O ATOM 0 H TYR A 22 7.320 12.440 -5.886 1.00 0.29 H new ATOM 0 HA TYR A 22 6.650 11.028 -8.215 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.063 10.008 -6.015 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.661 10.818 -5.346 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.463 9.906 -5.620 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.727 8.222 -7.779 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.058 8.003 -6.264 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.316 6.323 -8.429 1.00 0.44 H new ATOM 0 HH TYR A 22 1.939 6.309 -8.028 1.00 0.57 H new ATOM 560 N LEU A 23 4.216 12.844 -6.935 1.00 0.28 N ATOM 561 CA LEU A 23 2.882 13.368 -7.202 1.00 0.30 C ATOM 562 C LEU A 23 2.869 14.155 -8.508 1.00 0.34 C ATOM 563 O LEU A 23 1.916 14.069 -9.286 1.00 0.37 O ATOM 564 CB LEU A 23 2.406 14.255 -6.050 1.00 0.30 C ATOM 565 CG LEU A 23 2.172 13.526 -4.727 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.681 14.495 -3.668 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.175 12.393 -4.911 1.00 0.32 C ATOM 0 H LEU A 23 4.661 13.228 -6.102 1.00 0.28 H new ATOM 0 HA LEU A 23 2.199 12.523 -7.293 1.00 0.30 H new ATOM 0 HB2 LEU A 23 3.143 15.042 -5.889 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.478 14.744 -6.347 1.00 0.30 H new ATOM 0 HG LEU A 23 3.120 13.101 -4.396 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.519 13.960 -2.732 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.426 15.276 -3.516 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.744 14.947 -3.994 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.021 11.886 -3.959 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.226 12.797 -5.264 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.562 11.683 -5.642 1.00 0.32 H new ATOM 579 N LYS A 24 3.941 14.905 -8.752 1.00 0.34 N ATOM 580 CA LYS A 24 4.075 15.664 -9.989 1.00 0.39 C ATOM 581 C LYS A 24 4.086 14.711 -11.180 1.00 0.40 C ATOM 582 O LYS A 24 3.376 14.908 -12.167 1.00 0.44 O ATOM 583 CB LYS A 24 5.372 16.481 -9.998 1.00 0.41 C ATOM 584 CG LYS A 24 5.572 17.381 -8.789 1.00 0.45 C ATOM 585 CD LYS A 24 6.790 18.272 -8.987 1.00 0.55 C ATOM 586 CE LYS A 24 7.176 19.022 -7.718 1.00 1.35 C ATOM 587 NZ LYS A 24 6.034 19.755 -7.120 1.00 1.88 N ATOM 0 H LYS A 24 4.727 15.002 -8.110 1.00 0.34 H new ATOM 0 HA LYS A 24 3.227 16.346 -10.058 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.216 15.794 -10.065 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.390 17.096 -10.897 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.685 17.996 -8.634 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.699 16.774 -7.893 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.632 17.663 -9.316 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.586 18.990 -9.782 1.00 0.55 H new ATOM 0 HE2 LYS A 24 7.571 18.315 -6.989 1.00 1.35 H new ATOM 0 HE3 LYS A 24 7.976 19.726 -7.946 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 6.374 20.642 -6.698 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 5.334 19.969 -7.859 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 5.592 19.168 -6.384 1.00 1.88 H new ATOM 601 N ALA A 25 4.904 13.670 -11.053 1.00 0.40 N ATOM 602 CA ALA A 25 5.051 12.652 -12.085 1.00 0.43 C ATOM 603 C ALA A 25 3.726 11.950 -12.368 1.00 0.43 C ATOM 604 O ALA A 25 3.388 11.677 -13.521 1.00 0.44 O ATOM 605 CB ALA A 25 6.101 11.636 -11.669 1.00 0.43 C ATOM 0 H ALA A 25 5.484 13.510 -10.229 1.00 0.40 H new ATOM 0 HA ALA A 25 5.371 13.147 -13.002 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.203 10.879 -12.447 1.00 0.43 H new ATOM 0 HB2 ALA A 25 7.057 12.139 -11.524 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.797 11.159 -10.737 1.00 0.43 H new ATOM 611 N ARG A 26 2.978 11.674 -11.309 1.00 0.43 N ATOM 612 CA ARG A 26 1.695 10.987 -11.428 1.00 0.45 C ATOM 613 C ARG A 26 0.635 11.877 -12.066 1.00 0.47 C ATOM 614 O ARG A 26 -0.419 11.397 -12.475 1.00 0.51 O ATOM 615 CB ARG A 26 1.222 10.502 -10.058 1.00 0.48 C ATOM 616 CG ARG A 26 1.856 9.194 -9.622 1.00 0.85 C ATOM 617 CD ARG A 26 1.318 8.019 -10.425 1.00 0.72 C ATOM 618 NE ARG A 26 -0.096 7.767 -10.149 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.062 7.787 -11.071 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.773 8.053 -12.339 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.321 7.539 -10.725 1.00 1.06 N ATOM 0 H ARG A 26 3.237 11.916 -10.353 1.00 0.43 H new ATOM 0 HA ARG A 26 1.842 10.127 -12.081 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.443 11.268 -9.315 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.139 10.381 -10.079 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.938 9.254 -9.743 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.663 9.030 -8.562 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.450 8.216 -11.489 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.897 7.126 -10.192 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.363 7.562 -9.186 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.191 8.243 -12.613 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.515 8.067 -13.039 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.552 7.333 -9.753 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.057 7.555 -11.431 1.00 1.06 H new ATOM 635 N GLY A 27 0.915 13.168 -12.151 1.00 0.46 N ATOM 636 CA GLY A 27 -0.008 14.077 -12.793 1.00 0.49 C ATOM 637 C GLY A 27 -0.925 14.768 -11.810 1.00 0.50 C ATOM 638 O GLY A 27 -2.036 15.165 -12.162 1.00 0.62 O ATOM 0 H GLY A 27 1.764 13.601 -11.787 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.555 14.828 -13.348 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.608 13.527 -13.518 1.00 0.49 H new ATOM 642 N TYR A 28 -0.471 14.907 -10.573 1.00 0.48 N ATOM 643 CA TYR A 28 -1.250 15.590 -9.555 1.00 0.53 C ATOM 644 C TYR A 28 -0.817 17.038 -9.445 1.00 0.56 C ATOM 645 O TYR A 28 0.355 17.334 -9.196 1.00 0.54 O ATOM 646 CB TYR A 28 -1.112 14.892 -8.200 1.00 0.51 C ATOM 647 CG TYR A 28 -1.732 13.517 -8.174 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.934 12.383 -8.088 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.107 13.349 -8.224 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.489 11.123 -8.047 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.672 12.090 -8.188 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.879 10.988 -8.150 1.00 0.60 C ATOM 653 OH TYR A 28 -3.419 9.728 -8.038 1.00 0.64 O ATOM 0 H TYR A 28 0.431 14.556 -10.252 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.299 15.556 -9.851 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.055 14.812 -7.946 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.579 15.509 -7.432 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.140 12.491 -8.053 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.746 14.217 -8.292 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.861 10.251 -7.937 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.746 11.981 -8.190 1.00 0.63 H new ATOM 0 HH TYR A 28 -2.854 9.181 -7.454 1.00 0.64 H new ATOM 663 N GLY A 29 -1.770 17.935 -9.645 1.00 0.68 N ATOM 664 CA GLY A 29 -1.485 19.350 -9.566 1.00 0.80 C ATOM 665 C GLY A 29 -1.522 19.852 -8.141 1.00 0.88 C ATOM 666 O GLY A 29 -1.582 19.056 -7.202 1.00 1.54 O ATOM 0 H GLY A 29 -2.740 17.706 -9.862 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.503 19.547 -9.995 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -2.211 19.901 -10.164 1.00 0.80 H new ATOM 670 N TRP A 30 -1.508 21.169 -7.984 1.00 0.54 N ATOM 671 CA TRP A 30 -1.448 21.794 -6.668 1.00 0.56 C ATOM 672 C TRP A 30 -2.543 21.281 -5.730 1.00 0.54 C ATOM 673 O TRP A 30 -2.255 20.931 -4.588 1.00 0.52 O ATOM 674 CB TRP A 30 -1.545 23.320 -6.800 1.00 0.65 C ATOM 675 CG TRP A 30 -1.734 24.017 -5.486 1.00 0.75 C ATOM 676 CD1 TRP A 30 -0.761 24.396 -4.607 1.00 0.84 C ATOM 677 CD2 TRP A 30 -2.982 24.402 -4.896 1.00 0.86 C ATOM 678 NE1 TRP A 30 -1.329 24.985 -3.504 1.00 0.98 N ATOM 679 CE2 TRP A 30 -2.692 25.000 -3.660 1.00 0.99 C ATOM 680 CE3 TRP A 30 -4.317 24.294 -5.293 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -3.687 25.485 -2.821 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -5.303 24.779 -4.458 1.00 1.07 C ATOM 683 CH2 TRP A 30 -4.983 25.366 -3.234 1.00 1.18 C ATOM 0 H TRP A 30 -1.538 21.831 -8.759 1.00 0.54 H new ATOM 0 HA TRP A 30 -0.488 21.524 -6.228 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -0.639 23.695 -7.276 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -2.377 23.569 -7.459 1.00 0.65 H new ATOM 0 HD1 TRP A 30 0.299 24.254 -4.757 1.00 0.84 H new ATOM 0 HE1 TRP A 30 -0.820 25.352 -2.700 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -4.573 23.838 -6.238 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -3.444 25.941 -1.873 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -6.338 24.703 -4.757 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -5.776 25.734 -2.600 1.00 1.18 H new ATOM 694 N ILE A 31 -3.783 21.225 -6.216 1.00 0.60 N ATOM 695 CA ILE A 31 -4.924 20.868 -5.369 1.00 0.63 C ATOM 696 C ILE A 31 -4.682 19.544 -4.699 1.00 0.53 C ATOM 697 O ILE A 31 -4.648 19.442 -3.471 1.00 0.51 O ATOM 698 CB ILE A 31 -6.257 20.744 -6.142 1.00 0.76 C ATOM 699 CG1 ILE A 31 -6.687 22.075 -6.744 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.346 20.191 -5.236 1.00 0.69 C ATOM 701 CD1 ILE A 31 -5.898 22.430 -7.968 1.00 2.16 C ATOM 0 H ILE A 31 -4.024 21.421 -7.188 1.00 0.60 H new ATOM 0 HA ILE A 31 -5.012 21.683 -4.650 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.097 20.049 -6.966 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -7.746 22.031 -6.998 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -6.571 22.862 -5.999 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.278 20.110 -5.795 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -7.053 19.205 -4.874 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -7.489 20.861 -4.388 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -6.243 23.387 -8.359 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -4.841 22.503 -7.711 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -6.035 21.658 -8.726 1.00 2.16 H new ATOM 713 N MET A 32 -4.507 18.526 -5.517 1.00 0.48 N ATOM 714 CA MET A 32 -4.358 17.202 -5.006 1.00 0.43 C ATOM 715 C MET A 32 -3.094 17.084 -4.182 1.00 0.38 C ATOM 716 O MET A 32 -3.051 16.356 -3.202 1.00 0.39 O ATOM 717 CB MET A 32 -4.365 16.176 -6.131 1.00 0.48 C ATOM 718 CG MET A 32 -5.721 16.029 -6.791 1.00 0.55 C ATOM 719 SD MET A 32 -7.046 15.737 -5.604 1.00 0.97 S ATOM 720 CE MET A 32 -6.302 14.453 -4.608 1.00 0.48 C ATOM 0 H MET A 32 -4.466 18.602 -6.533 1.00 0.48 H new ATOM 0 HA MET A 32 -5.210 16.996 -4.358 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.631 16.465 -6.883 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.053 15.209 -5.735 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.942 16.931 -7.361 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.687 15.203 -7.501 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.083 13.814 -4.196 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.632 13.855 -5.226 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.736 14.906 -3.794 1.00 0.48 H new ATOM 730 N ARG A 33 -2.084 17.844 -4.563 1.00 0.39 N ATOM 731 CA ARG A 33 -0.801 17.804 -3.896 1.00 0.41 C ATOM 732 C ARG A 33 -0.925 18.351 -2.477 1.00 0.45 C ATOM 733 O ARG A 33 -0.194 17.945 -1.574 1.00 0.60 O ATOM 734 CB ARG A 33 0.203 18.606 -4.715 1.00 0.49 C ATOM 735 CG ARG A 33 1.648 18.302 -4.395 1.00 0.90 C ATOM 736 CD ARG A 33 2.528 18.539 -5.611 1.00 0.71 C ATOM 737 NE ARG A 33 2.527 19.937 -6.033 1.00 0.77 N ATOM 738 CZ ARG A 33 2.499 20.332 -7.308 1.00 0.99 C ATOM 739 NH1 ARG A 33 2.416 19.435 -8.287 1.00 1.87 N ATOM 740 NH2 ARG A 33 2.534 21.624 -7.597 1.00 1.03 N ATOM 0 H ARG A 33 -2.132 18.503 -5.340 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.452 16.774 -3.819 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.029 18.412 -5.773 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.022 19.668 -4.551 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.983 18.930 -3.569 1.00 0.90 H new ATOM 0 HG3 ARG A 33 1.743 17.267 -4.067 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.549 18.231 -5.383 1.00 0.71 H new ATOM 0 HD3 ARG A 33 2.183 17.913 -6.434 1.00 0.71 H new ATOM 0 HE ARG A 33 2.549 20.656 -5.309 1.00 0.77 H new ATOM 0 HH11 ARG A 33 2.373 18.440 -8.065 1.00 1.87 H new ATOM 0 HH12 ARG A 33 2.395 19.742 -9.259 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.582 22.313 -6.847 1.00 1.03 H new ATOM 0 HH22 ARG A 33 2.513 21.930 -8.570 1.00 1.03 H new ATOM 754 N GLN A 34 -1.873 19.259 -2.285 1.00 0.41 N ATOM 755 CA GLN A 34 -2.147 19.819 -0.970 1.00 0.46 C ATOM 756 C GLN A 34 -2.966 18.856 -0.124 1.00 0.47 C ATOM 757 O GLN A 34 -2.934 18.908 1.101 1.00 0.58 O ATOM 758 CB GLN A 34 -2.894 21.144 -1.096 1.00 0.51 C ATOM 759 CG GLN A 34 -2.091 22.241 -1.772 1.00 0.80 C ATOM 760 CD GLN A 34 -0.711 22.415 -1.173 1.00 1.39 C ATOM 761 OE1 GLN A 34 0.255 21.794 -1.618 1.00 1.88 O ATOM 762 NE2 GLN A 34 -0.606 23.259 -0.162 1.00 1.97 N ATOM 0 H GLN A 34 -2.468 19.624 -3.029 1.00 0.41 H new ATOM 0 HA GLN A 34 -1.189 19.990 -0.479 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.813 20.980 -1.659 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -3.186 21.481 -0.101 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.995 22.012 -2.833 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.636 23.182 -1.697 1.00 0.80 H new ATOM 0 HE21 GLN A 34 -1.431 23.754 0.177 1.00 1.97 H new ATOM 0 HE22 GLN A 34 0.300 23.416 0.280 1.00 1.97 H new ATOM 771 N VAL A 35 -3.728 17.993 -0.772 1.00 0.42 N ATOM 772 CA VAL A 35 -4.519 17.003 -0.062 1.00 0.42 C ATOM 773 C VAL A 35 -3.688 15.760 0.238 1.00 0.40 C ATOM 774 O VAL A 35 -3.470 15.412 1.398 1.00 0.44 O ATOM 775 CB VAL A 35 -5.761 16.605 -0.892 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.544 15.488 -0.221 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.649 17.815 -1.123 1.00 0.65 C ATOM 0 H VAL A 35 -3.816 17.957 -1.788 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.844 17.447 0.879 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.415 16.232 -1.856 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.410 15.233 -0.832 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.906 14.611 -0.112 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.878 15.818 0.763 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.520 17.521 -1.709 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.976 18.215 -0.163 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.090 18.579 -1.663 1.00 0.65 H new ATOM 787 N ILE A 36 -3.238 15.111 -0.826 1.00 0.38 N ATOM 788 CA ILE A 36 -2.453 13.881 -0.757 1.00 0.39 C ATOM 789 C ILE A 36 -1.290 13.961 0.243 1.00 0.46 C ATOM 790 O ILE A 36 -1.080 13.033 1.024 1.00 0.51 O ATOM 791 CB ILE A 36 -1.932 13.534 -2.157 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.118 13.445 -3.120 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.181 12.224 -2.127 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.742 13.134 -4.546 1.00 0.51 C ATOM 0 H ILE A 36 -3.410 15.428 -1.780 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.113 13.094 -0.393 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.246 14.311 -2.494 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.804 12.677 -2.762 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.660 14.391 -3.098 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.817 11.990 -3.127 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.336 12.305 -1.443 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.847 11.430 -1.789 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.643 13.090 -5.158 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.082 13.914 -4.927 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -2.229 12.173 -4.586 1.00 0.51 H new ATOM 806 N LYS A 37 -0.545 15.064 0.243 1.00 0.52 N ATOM 807 CA LYS A 37 0.600 15.194 1.151 1.00 0.67 C ATOM 808 C LYS A 37 0.156 15.450 2.589 1.00 0.66 C ATOM 809 O LYS A 37 0.836 15.057 3.535 1.00 0.79 O ATOM 810 CB LYS A 37 1.548 16.313 0.711 1.00 0.91 C ATOM 811 CG LYS A 37 2.248 16.049 -0.613 1.00 0.75 C ATOM 812 CD LYS A 37 3.464 16.949 -0.788 1.00 0.94 C ATOM 813 CE LYS A 37 3.106 18.424 -0.683 1.00 0.70 C ATOM 814 NZ LYS A 37 4.310 19.291 -0.765 1.00 0.97 N ATOM 0 H LYS A 37 -0.706 15.869 -0.362 1.00 0.52 H new ATOM 0 HA LYS A 37 1.131 14.243 1.109 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.984 17.242 0.633 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.301 16.462 1.485 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.556 15.005 -0.661 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.550 16.214 -1.434 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.208 16.703 -0.031 1.00 0.94 H new ATOM 0 HD3 LYS A 37 3.921 16.756 -1.759 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.413 18.688 -1.482 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.590 18.607 0.260 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.017 20.284 -0.860 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.878 19.179 0.099 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.879 19.017 -1.591 1.00 0.97 H new ATOM 828 N LEU A 38 -0.990 16.092 2.753 1.00 0.63 N ATOM 829 CA LEU A 38 -1.477 16.449 4.083 1.00 0.70 C ATOM 830 C LEU A 38 -2.465 15.405 4.585 1.00 0.65 C ATOM 831 O LEU A 38 -3.301 15.680 5.448 1.00 0.91 O ATOM 832 CB LEU A 38 -2.132 17.838 4.082 1.00 0.82 C ATOM 833 CG LEU A 38 -1.171 19.037 4.034 1.00 1.08 C ATOM 834 CD1 LEU A 38 -0.184 18.984 5.188 1.00 2.08 C ATOM 835 CD2 LEU A 38 -0.432 19.099 2.706 1.00 1.61 C ATOM 0 H LEU A 38 -1.601 16.377 1.987 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.619 16.479 4.755 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.803 17.901 3.225 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.749 17.928 4.976 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.769 19.943 4.130 1.00 1.08 H new ATOM 0 HD11 LEU A 38 0.486 19.842 5.134 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -0.727 19.007 6.133 1.00 2.08 H new ATOM 0 HD13 LEU A 38 0.398 18.065 5.127 1.00 2.08 H new ATOM 0 HD21 LEU A 38 0.240 19.957 2.703 1.00 1.61 H new ATOM 0 HD22 LEU A 38 0.146 18.185 2.568 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -1.152 19.199 1.893 1.00 1.61 H new ATOM 847 N ALA A 39 -2.370 14.214 4.025 1.00 0.52 N ATOM 848 CA ALA A 39 -3.207 13.108 4.424 1.00 0.53 C ATOM 849 C ALA A 39 -2.359 12.003 5.031 1.00 0.60 C ATOM 850 O ALA A 39 -1.404 11.527 4.410 1.00 1.03 O ATOM 851 CB ALA A 39 -3.991 12.581 3.231 1.00 0.55 C ATOM 0 H ALA A 39 -1.709 13.990 3.281 1.00 0.52 H new ATOM 0 HA ALA A 39 -3.915 13.457 5.175 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.618 11.747 3.547 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.620 13.376 2.829 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.298 12.242 2.461 1.00 0.55 H new ATOM 857 N GLY A 40 -2.685 11.626 6.253 1.00 0.43 N ATOM 858 CA GLY A 40 -2.034 10.501 6.882 1.00 0.46 C ATOM 859 C GLY A 40 -2.676 9.208 6.442 1.00 0.46 C ATOM 860 O GLY A 40 -3.800 9.221 5.939 1.00 0.84 O ATOM 0 H GLY A 40 -3.395 12.083 6.825 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -0.975 10.495 6.624 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.097 10.595 7.966 1.00 0.46 H new ATOM 864 N VAL A 41 -1.985 8.097 6.621 1.00 0.44 N ATOM 865 CA VAL A 41 -2.496 6.817 6.166 1.00 0.45 C ATOM 866 C VAL A 41 -1.922 5.664 6.984 1.00 0.36 C ATOM 867 O VAL A 41 -0.747 5.658 7.343 1.00 0.41 O ATOM 868 CB VAL A 41 -2.251 6.609 4.646 1.00 0.67 C ATOM 869 CG1 VAL A 41 -0.923 7.192 4.209 1.00 0.95 C ATOM 870 CG2 VAL A 41 -2.341 5.137 4.263 1.00 1.30 C ATOM 0 H VAL A 41 -1.073 8.055 7.076 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.575 6.826 6.323 1.00 0.45 H new ATOM 0 HB VAL A 41 -3.042 7.145 4.121 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.787 7.027 3.140 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -0.910 8.262 4.416 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -0.115 6.707 4.756 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -2.165 5.028 3.193 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -1.590 4.571 4.814 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -3.333 4.757 4.508 1.00 1.30 H new ATOM 880 N THR A 42 -2.786 4.710 7.288 1.00 0.31 N ATOM 881 CA THR A 42 -2.432 3.550 8.077 1.00 0.30 C ATOM 882 C THR A 42 -2.506 2.287 7.218 1.00 0.29 C ATOM 883 O THR A 42 -3.550 1.991 6.628 1.00 0.32 O ATOM 884 CB THR A 42 -3.387 3.416 9.282 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.366 4.627 10.053 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.006 2.242 10.167 1.00 0.45 C ATOM 0 H THR A 42 -3.761 4.722 6.989 1.00 0.31 H new ATOM 0 HA THR A 42 -1.412 3.674 8.442 1.00 0.30 H new ATOM 0 HB THR A 42 -4.391 3.237 8.897 1.00 0.35 H new ATOM 0 HG1 THR A 42 -3.974 4.539 10.816 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.700 2.178 11.005 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.051 1.320 9.588 1.00 0.45 H new ATOM 0 HG23 THR A 42 -1.993 2.384 10.544 1.00 0.45 H new ATOM 894 N LYS A 43 -1.393 1.567 7.131 1.00 0.31 N ATOM 895 CA LYS A 43 -1.333 0.318 6.374 1.00 0.35 C ATOM 896 C LYS A 43 -1.757 -0.847 7.252 1.00 0.33 C ATOM 897 O LYS A 43 -1.270 -0.993 8.368 1.00 0.41 O ATOM 898 CB LYS A 43 0.085 0.084 5.848 1.00 0.50 C ATOM 899 CG LYS A 43 0.458 0.972 4.675 1.00 0.77 C ATOM 900 CD LYS A 43 -0.228 0.519 3.399 1.00 0.53 C ATOM 901 CE LYS A 43 0.045 1.463 2.240 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.688 2.746 2.375 1.00 0.79 N ATOM 0 H LYS A 43 -0.514 1.828 7.578 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.016 0.392 5.527 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.795 0.251 6.658 1.00 0.50 H new ATOM 0 HB3 LYS A 43 0.183 -0.959 5.548 1.00 0.50 H new ATOM 0 HG2 LYS A 43 0.179 2.003 4.894 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.539 0.957 4.534 1.00 0.77 H new ATOM 0 HD2 LYS A 43 0.115 -0.483 3.139 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.303 0.454 3.569 1.00 0.53 H new ATOM 0 HE2 LYS A 43 1.115 1.663 2.181 1.00 0.59 H new ATOM 0 HE3 LYS A 43 -0.241 0.980 1.306 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.651 3.263 1.473 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -1.679 2.555 2.625 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -0.248 3.321 3.122 1.00 0.79 H new ATOM 916 N LYS A 44 -2.666 -1.670 6.759 1.00 0.31 N ATOM 917 CA LYS A 44 -3.183 -2.772 7.541 1.00 0.35 C ATOM 918 C LYS A 44 -3.156 -4.077 6.748 1.00 0.34 C ATOM 919 O LYS A 44 -4.015 -4.313 5.902 1.00 0.47 O ATOM 920 CB LYS A 44 -4.606 -2.432 7.967 1.00 0.44 C ATOM 921 CG LYS A 44 -5.255 -3.454 8.875 1.00 0.90 C ATOM 922 CD LYS A 44 -6.707 -3.093 9.128 1.00 0.88 C ATOM 923 CE LYS A 44 -6.833 -1.814 9.947 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.252 -1.431 10.172 1.00 1.96 N ATOM 0 H LYS A 44 -3.059 -1.594 5.821 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.554 -2.919 8.419 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -4.598 -1.468 8.475 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.220 -2.317 7.074 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -5.194 -4.443 8.421 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.716 -3.503 9.821 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -7.223 -2.968 8.176 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -7.200 -3.912 9.653 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.338 -1.950 10.909 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.316 -1.003 9.434 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.296 -0.451 10.518 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.778 -1.507 9.278 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.676 -2.067 10.878 1.00 1.96 H new ATOM 938 N PHE A 45 -2.165 -4.914 7.032 1.00 0.29 N ATOM 939 CA PHE A 45 -2.051 -6.217 6.397 1.00 0.29 C ATOM 940 C PHE A 45 -2.381 -7.291 7.418 1.00 0.30 C ATOM 941 O PHE A 45 -1.856 -7.274 8.528 1.00 0.37 O ATOM 942 CB PHE A 45 -0.638 -6.456 5.865 1.00 0.32 C ATOM 943 CG PHE A 45 -0.173 -5.468 4.834 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.362 -4.248 5.217 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.293 -5.749 3.482 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.768 -3.329 4.271 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.117 -4.835 2.533 1.00 0.52 C ATOM 948 CZ PHE A 45 0.726 -3.660 2.929 1.00 0.54 C ATOM 0 H PHE A 45 -1.425 -4.709 7.703 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.745 -6.253 5.557 1.00 0.29 H new ATOM 0 HB2 PHE A 45 0.058 -6.438 6.704 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.592 -7.456 5.435 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.462 -4.014 6.267 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.712 -6.694 3.168 1.00 0.44 H new ATOM 0 HE1 PHE A 45 1.117 -2.354 4.578 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.038 -5.038 1.484 1.00 0.52 H new ATOM 0 HZ PHE A 45 1.167 -3.003 2.194 1.00 0.54 H new ATOM 958 N ARG A 46 -3.247 -8.216 7.056 1.00 0.31 N ATOM 959 CA ARG A 46 -3.667 -9.249 7.985 1.00 0.33 C ATOM 960 C ARG A 46 -4.287 -10.423 7.245 1.00 0.31 C ATOM 961 O ARG A 46 -4.496 -10.358 6.034 1.00 0.33 O ATOM 962 CB ARG A 46 -4.681 -8.665 8.970 1.00 0.39 C ATOM 963 CG ARG A 46 -5.890 -8.070 8.273 1.00 0.50 C ATOM 964 CD ARG A 46 -6.784 -7.296 9.219 1.00 0.64 C ATOM 965 NE ARG A 46 -7.844 -6.601 8.493 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.871 -5.984 9.063 1.00 2.03 C ATOM 967 NH1 ARG A 46 -9.013 -5.991 10.381 1.00 1.85 N ATOM 968 NH2 ARG A 46 -9.754 -5.360 8.299 1.00 3.17 N ATOM 0 H ARG A 46 -3.672 -8.275 6.131 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.792 -9.609 8.526 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.009 -9.447 9.656 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.197 -7.896 9.572 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.555 -7.410 7.473 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.466 -8.869 7.807 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.224 -7.977 9.947 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -6.188 -6.574 9.778 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.791 -6.589 7.474 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.330 -6.473 10.965 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -9.805 -5.514 10.811 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -9.640 -5.358 7.285 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -10.548 -4.882 8.724 1.00 3.17 H new ATOM 982 N ASN A 47 -4.563 -11.491 7.977 1.00 0.33 N ATOM 983 CA ASN A 47 -5.317 -12.615 7.432 1.00 0.37 C ATOM 984 C ASN A 47 -6.743 -12.171 7.138 1.00 0.39 C ATOM 985 O ASN A 47 -7.211 -11.181 7.708 1.00 0.54 O ATOM 986 CB ASN A 47 -5.317 -13.805 8.395 1.00 0.50 C ATOM 987 CG ASN A 47 -4.044 -14.624 8.308 1.00 0.92 C ATOM 988 OD1 ASN A 47 -3.964 -15.587 7.547 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.036 -14.251 9.082 1.00 1.44 N ATOM 0 H ASN A 47 -4.278 -11.606 8.950 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.838 -12.940 6.508 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.443 -13.442 9.415 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -6.172 -14.445 8.177 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -2.157 -14.768 9.059 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.139 -13.447 9.701 1.00 1.44 H new ATOM 996 N ALA A 48 -7.428 -12.883 6.253 1.00 0.36 N ATOM 997 CA ALA A 48 -8.774 -12.502 5.840 1.00 0.41 C ATOM 998 C ALA A 48 -9.740 -12.445 7.018 1.00 0.64 C ATOM 999 O ALA A 48 -9.458 -12.987 8.088 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.283 -13.467 4.780 1.00 0.49 C ATOM 0 H ALA A 48 -7.074 -13.729 5.806 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.721 -11.498 5.420 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.289 -13.176 4.476 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.621 -13.440 3.915 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.305 -14.477 5.188 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.857 -11.760 6.809 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.906 -11.605 7.816 1.00 1.18 C ATOM 1008 C ALA A 49 -12.178 -12.890 8.585 1.00 1.17 C ATOM 1009 O ALA A 49 -12.019 -12.939 9.806 1.00 1.46 O ATOM 1010 CB ALA A 49 -13.179 -11.146 7.145 1.00 1.48 C ATOM 0 H ALA A 49 -11.065 -11.291 5.928 1.00 0.83 H new ATOM 0 HA ALA A 49 -11.557 -10.864 8.535 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.963 -11.030 7.893 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -13.005 -10.191 6.650 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -13.489 -11.886 6.407 1.00 1.48 H new ATOM 1016 N SER A 50 -12.573 -13.927 7.864 1.00 1.12 N ATOM 1017 CA SER A 50 -12.867 -15.205 8.481 1.00 1.50 C ATOM 1018 C SER A 50 -11.593 -15.774 9.096 1.00 1.66 C ATOM 1019 O SER A 50 -11.604 -16.332 10.193 1.00 2.19 O ATOM 1020 CB SER A 50 -13.460 -16.169 7.448 1.00 1.77 C ATOM 1021 OG SER A 50 -13.749 -17.434 8.016 1.00 2.37 O ATOM 0 H SER A 50 -12.697 -13.906 6.852 1.00 1.12 H new ATOM 0 HA SER A 50 -13.606 -15.068 9.271 1.00 1.50 H new ATOM 0 HB2 SER A 50 -14.372 -15.740 7.032 1.00 1.77 H new ATOM 0 HB3 SER A 50 -12.760 -16.293 6.622 1.00 1.77 H new ATOM 0 HG SER A 50 -14.127 -18.022 7.329 1.00 2.37 H new ATOM 1027 N GLY A 51 -10.490 -15.589 8.386 1.00 1.42 N ATOM 1028 CA GLY A 51 -9.193 -16.003 8.892 1.00 1.68 C ATOM 1029 C GLY A 51 -8.612 -17.154 8.104 1.00 1.70 C ATOM 1030 O GLY A 51 -8.115 -18.121 8.677 1.00 1.91 O ATOM 0 H GLY A 51 -10.468 -15.157 7.462 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -8.505 -15.158 8.858 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -9.289 -16.293 9.938 1.00 1.68 H new ATOM 1034 N LYS A 52 -8.660 -17.041 6.789 1.00 1.54 N ATOM 1035 CA LYS A 52 -8.205 -18.108 5.914 1.00 1.60 C ATOM 1036 C LYS A 52 -6.755 -17.890 5.504 1.00 1.44 C ATOM 1037 O LYS A 52 -6.302 -16.756 5.379 1.00 1.37 O ATOM 1038 CB LYS A 52 -9.086 -18.170 4.668 1.00 1.62 C ATOM 1039 CG LYS A 52 -10.546 -18.454 4.972 1.00 1.92 C ATOM 1040 CD LYS A 52 -11.379 -18.522 3.705 1.00 1.94 C ATOM 1041 CE LYS A 52 -10.931 -19.659 2.798 1.00 2.59 C ATOM 1042 NZ LYS A 52 -11.815 -19.793 1.611 1.00 3.17 N ATOM 0 H LYS A 52 -9.011 -16.217 6.301 1.00 1.54 H new ATOM 0 HA LYS A 52 -8.275 -19.050 6.458 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -9.012 -17.223 4.133 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -8.705 -18.944 4.001 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -10.629 -19.397 5.513 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -10.940 -17.676 5.626 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -12.429 -18.657 3.966 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -11.303 -17.576 3.168 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -9.906 -19.482 2.471 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -10.930 -20.594 3.359 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -11.480 -20.577 1.015 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -12.788 -19.986 1.923 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -11.796 -18.909 1.063 1.00 3.17 H new ATOM 1056 N PRO A 53 -6.009 -18.980 5.304 1.00 1.49 N ATOM 1057 CA PRO A 53 -4.642 -18.911 4.803 1.00 1.40 C ATOM 1058 C PRO A 53 -4.619 -18.594 3.311 1.00 1.15 C ATOM 1059 O PRO A 53 -5.560 -18.930 2.589 1.00 1.15 O ATOM 1060 CB PRO A 53 -4.099 -20.312 5.069 1.00 1.68 C ATOM 1061 CG PRO A 53 -5.300 -21.189 5.013 1.00 1.84 C ATOM 1062 CD PRO A 53 -6.439 -20.367 5.553 1.00 1.76 C ATOM 0 HA PRO A 53 -4.055 -18.126 5.280 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -3.360 -20.601 4.321 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -3.609 -20.371 6.041 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -5.501 -21.511 3.991 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -5.153 -22.090 5.608 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -7.375 -20.595 5.044 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -6.600 -20.553 6.615 1.00 1.76 H new ATOM 1070 N ASP A 54 -3.581 -17.885 2.876 1.00 1.04 N ATOM 1071 CA ASP A 54 -3.396 -17.533 1.456 1.00 0.90 C ATOM 1072 C ASP A 54 -4.462 -16.545 0.990 1.00 0.68 C ATOM 1073 O ASP A 54 -4.446 -16.091 -0.152 1.00 0.97 O ATOM 1074 CB ASP A 54 -3.408 -18.775 0.557 1.00 1.06 C ATOM 1075 CG ASP A 54 -2.212 -19.676 0.779 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -2.343 -20.680 1.515 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -1.133 -19.392 0.211 1.00 1.60 O ATOM 0 H ASP A 54 -2.843 -17.536 3.488 1.00 1.04 H new ATOM 0 HA ASP A 54 -2.417 -17.061 1.372 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.321 -19.341 0.740 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -3.431 -18.461 -0.487 1.00 1.06 H new ATOM 1082 N ARG A 55 -5.371 -16.205 1.892 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.415 -15.226 1.641 1.00 0.47 C ATOM 1084 C ARG A 55 -6.325 -14.166 2.719 1.00 0.41 C ATOM 1085 O ARG A 55 -6.581 -14.442 3.887 1.00 0.51 O ATOM 1086 CB ARG A 55 -7.804 -15.872 1.653 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.327 -16.270 0.279 1.00 1.24 C ATOM 1088 CD ARG A 55 -7.439 -17.295 -0.407 1.00 1.87 C ATOM 1089 NE ARG A 55 -7.270 -18.508 0.392 1.00 2.57 N ATOM 1090 CZ ARG A 55 -7.504 -19.739 -0.058 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -7.921 -19.932 -1.304 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -7.315 -20.779 0.742 1.00 4.10 N ATOM 0 H ARG A 55 -5.404 -16.607 2.829 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.272 -14.788 0.653 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -7.773 -16.758 2.287 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.510 -15.178 2.109 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -9.334 -16.676 0.380 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.403 -15.382 -0.348 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -7.870 -17.557 -1.373 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -6.462 -16.853 -0.603 1.00 1.87 H new ATOM 0 HE ARG A 55 -6.953 -18.404 1.356 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -8.064 -19.134 -1.923 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -8.098 -20.878 -1.642 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -6.991 -20.635 1.698 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -7.493 -21.724 0.401 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.927 -12.970 2.346 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.623 -11.948 3.327 1.00 0.32 C ATOM 1108 C TYR A 56 -6.531 -10.739 3.194 1.00 0.33 C ATOM 1109 O TYR A 56 -7.371 -10.662 2.295 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.157 -11.537 3.205 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.203 -12.655 3.551 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.768 -13.548 2.583 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.753 -12.829 4.855 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.912 -14.582 2.901 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.895 -13.859 5.180 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.480 -14.734 4.201 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.629 -15.762 4.519 1.00 0.97 O ATOM 0 H TYR A 56 -5.806 -12.680 1.375 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.801 -12.370 4.316 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.962 -11.202 2.186 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.967 -10.688 3.861 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.105 -13.432 1.564 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.080 -12.147 5.626 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.582 -15.269 2.135 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.551 -13.979 6.197 1.00 0.69 H new ATOM 0 HH TYR A 56 0.290 -15.424 4.562 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.355 -9.810 4.115 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.138 -8.592 4.170 1.00 0.34 C ATOM 1129 C ASP A 57 -6.188 -7.405 4.252 1.00 0.29 C ATOM 1130 O ASP A 57 -5.260 -7.406 5.061 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.058 -8.632 5.395 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.036 -7.479 5.462 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.641 -6.374 5.883 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.222 -7.687 5.134 1.00 0.99 O ATOM 0 H ASP A 57 -5.656 -9.882 4.854 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.756 -8.497 3.277 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.615 -9.569 5.389 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.446 -8.631 6.297 1.00 0.43 H new ATOM 1139 N MET A 58 -6.399 -6.417 3.403 1.00 0.27 N ATOM 1140 CA MET A 58 -5.500 -5.272 3.330 1.00 0.26 C ATOM 1141 C MET A 58 -6.292 -3.976 3.256 1.00 0.27 C ATOM 1142 O MET A 58 -7.121 -3.794 2.366 1.00 0.33 O ATOM 1143 CB MET A 58 -4.566 -5.406 2.124 1.00 0.30 C ATOM 1144 CG MET A 58 -3.845 -4.121 1.757 1.00 0.51 C ATOM 1145 SD MET A 58 -2.880 -3.439 3.111 1.00 0.98 S ATOM 1146 CE MET A 58 -2.330 -1.915 2.363 1.00 0.36 C ATOM 0 H MET A 58 -7.184 -6.381 2.753 1.00 0.27 H new ATOM 0 HA MET A 58 -4.893 -5.248 4.235 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.826 -6.179 2.334 1.00 0.30 H new ATOM 0 HB3 MET A 58 -5.145 -5.744 1.265 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.186 -4.311 0.910 1.00 0.51 H new ATOM 0 HG3 MET A 58 -4.577 -3.381 1.432 1.00 0.51 H new ATOM 0 HE1 MET A 58 -1.248 -1.942 2.235 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.807 -1.794 1.390 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.599 -1.077 3.006 1.00 0.36 H new ATOM 1156 N GLU A 59 -6.022 -3.072 4.178 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.803 -1.853 4.284 1.00 0.32 C ATOM 1158 C GLU A 59 -5.906 -0.625 4.400 1.00 0.31 C ATOM 1159 O GLU A 59 -4.821 -0.684 4.979 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.746 -1.964 5.487 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.682 -0.781 5.670 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.710 -1.023 6.753 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.413 -0.747 7.934 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.824 -1.483 6.430 1.00 1.11 O ATOM 0 H GLU A 59 -5.271 -3.157 4.863 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.392 -1.730 3.375 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -8.343 -2.870 5.381 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.148 -2.080 6.391 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -8.099 0.106 5.918 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -9.191 -0.575 4.729 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.364 0.480 3.821 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.645 1.745 3.890 1.00 0.42 C ATOM 1173 C ASN A 60 -6.550 2.819 4.463 1.00 0.46 C ATOM 1174 O ASN A 60 -7.453 3.307 3.780 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.154 2.205 2.511 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.210 1.228 1.852 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.009 1.252 2.103 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -4.738 0.381 0.983 1.00 1.02 N ATOM 0 H ASN A 60 -7.237 0.523 3.295 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.777 1.588 4.530 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.015 2.361 1.861 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.654 3.168 2.615 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.141 -0.285 0.493 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -5.742 0.394 0.803 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.318 3.170 5.713 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.101 4.205 6.368 1.00 0.39 C ATOM 1187 C LEU A 61 -6.370 5.529 6.313 1.00 0.39 C ATOM 1188 O LEU A 61 -5.244 5.639 6.785 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.374 3.822 7.820 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.313 2.636 8.000 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.456 2.292 9.472 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.670 2.945 7.386 1.00 1.66 C ATOM 0 H LEU A 61 -5.593 2.754 6.298 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.052 4.304 5.844 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.425 3.594 8.306 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.797 4.684 8.336 1.00 0.42 H new ATOM 0 HG LEU A 61 -7.890 1.772 7.488 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.130 1.443 9.583 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.479 2.036 9.882 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -8.862 3.150 10.008 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.333 2.091 7.520 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.100 3.819 7.875 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.550 3.147 6.322 1.00 1.66 H new ATOM 1204 N THR A 62 -7.001 6.536 5.740 1.00 0.34 N ATOM 1205 CA THR A 62 -6.365 7.822 5.593 1.00 0.35 C ATOM 1206 C THR A 62 -7.242 8.908 6.193 1.00 0.37 C ATOM 1207 O THR A 62 -8.169 8.618 6.948 1.00 0.43 O ATOM 1208 CB THR A 62 -6.063 8.152 4.114 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.281 8.332 3.392 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.266 7.037 3.455 1.00 0.45 C ATOM 0 H THR A 62 -7.951 6.485 5.371 1.00 0.34 H new ATOM 0 HA THR A 62 -5.414 7.780 6.125 1.00 0.35 H new ATOM 0 HB THR A 62 -5.476 9.070 4.094 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.184 9.082 2.768 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.068 7.297 2.415 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.321 6.905 3.982 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.837 6.109 3.495 1.00 0.45 H new ATOM 1218 N THR A 63 -6.958 10.145 5.852 1.00 0.42 N ATOM 1219 CA THR A 63 -7.709 11.266 6.376 1.00 0.46 C ATOM 1220 C THR A 63 -8.807 11.680 5.402 1.00 0.46 C ATOM 1221 O THR A 63 -9.794 12.307 5.784 1.00 0.54 O ATOM 1222 CB THR A 63 -6.766 12.452 6.620 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.214 12.886 5.373 1.00 0.52 O ATOM 1224 CG2 THR A 63 -5.637 12.045 7.547 1.00 0.50 C ATOM 0 H THR A 63 -6.208 10.402 5.210 1.00 0.42 H new ATOM 0 HA THR A 63 -8.171 10.965 7.316 1.00 0.46 H new ATOM 0 HB THR A 63 -7.332 13.262 7.080 1.00 0.50 H new ATOM 0 HG1 THR A 63 -5.986 13.837 5.430 1.00 0.52 H new ATOM 0 HG21 THR A 63 -4.976 12.896 7.711 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.050 11.717 8.501 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.072 11.229 7.096 1.00 0.50 H new ATOM 1232 N LYS A 64 -8.621 11.323 4.136 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.536 11.734 3.080 1.00 0.50 C ATOM 1234 C LYS A 64 -10.236 10.539 2.444 1.00 0.49 C ATOM 1235 O LYS A 64 -11.241 10.695 1.753 1.00 0.60 O ATOM 1236 CB LYS A 64 -8.762 12.508 2.010 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.210 13.840 2.494 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.315 14.854 2.743 1.00 0.88 C ATOM 1239 CE LYS A 64 -8.750 16.196 3.182 1.00 1.64 C ATOM 1240 NZ LYS A 64 -9.802 17.239 3.300 1.00 2.24 N ATOM 0 H LYS A 64 -7.842 10.748 3.816 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.302 12.370 3.524 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -7.937 11.891 1.654 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.418 12.685 1.158 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.644 13.686 3.413 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.514 14.235 1.754 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.902 14.985 1.834 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -9.992 14.475 3.508 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -8.247 16.080 4.142 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -7.996 16.523 2.465 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -9.370 18.136 3.601 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -10.265 17.371 2.378 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.508 16.942 4.003 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.710 9.346 2.681 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.181 8.160 1.978 1.00 0.49 C ATOM 1256 C LYS A 65 -10.318 6.955 2.906 1.00 0.52 C ATOM 1257 O LYS A 65 -10.421 7.097 4.126 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.225 7.841 0.816 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.341 8.799 -0.356 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.744 8.800 -0.943 1.00 1.22 C ATOM 1261 CE LYS A 65 -11.155 7.425 -1.445 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.547 7.425 -1.960 1.00 1.82 N ATOM 0 H LYS A 65 -8.961 9.173 3.351 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.177 8.372 1.588 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.200 7.858 1.186 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.420 6.828 0.465 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -9.082 9.806 -0.030 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.624 8.519 -1.127 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.453 9.136 -0.186 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.792 9.515 -1.765 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -10.474 7.107 -2.235 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -11.066 6.700 -0.636 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -12.840 6.449 -2.167 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -13.182 7.833 -1.244 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.595 7.993 -2.830 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.249 5.783 2.293 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.545 4.497 2.928 1.00 0.39 C ATOM 1278 C ASP A 66 -10.658 3.440 1.844 1.00 0.43 C ATOM 1279 O ASP A 66 -11.347 3.640 0.845 1.00 0.66 O ATOM 1280 CB ASP A 66 -11.842 4.535 3.742 1.00 0.57 C ATOM 1281 CG ASP A 66 -12.351 3.150 4.115 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -11.834 2.557 5.081 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.286 2.655 3.445 1.00 2.12 O ATOM 0 H ASP A 66 -9.979 5.692 1.314 1.00 0.47 H new ATOM 0 HA ASP A 66 -9.736 4.264 3.621 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.677 5.112 4.652 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -12.609 5.056 3.169 1.00 0.57 H new ATOM 1288 N THR A 67 -9.964 2.336 2.028 1.00 0.35 N ATOM 1289 CA THR A 67 -9.964 1.253 1.051 1.00 0.32 C ATOM 1290 C THR A 67 -9.890 -0.070 1.783 1.00 0.26 C ATOM 1291 O THR A 67 -9.158 -0.183 2.764 1.00 0.30 O ATOM 1292 CB THR A 67 -8.761 1.354 0.088 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.538 1.316 0.832 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.808 2.635 -0.719 1.00 0.56 C ATOM 0 H THR A 67 -9.387 2.159 2.850 1.00 0.35 H new ATOM 0 HA THR A 67 -10.880 1.326 0.465 1.00 0.32 H new ATOM 0 HB THR A 67 -8.810 0.508 -0.597 1.00 0.38 H new ATOM 0 HG1 THR A 67 -7.645 0.725 1.607 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.948 2.676 -1.387 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.726 2.661 -1.307 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.785 3.491 -0.045 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.619 -1.069 1.319 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.654 -2.335 2.020 1.00 0.23 C ATOM 1304 C HIS A 68 -10.537 -3.496 1.043 1.00 0.22 C ATOM 1305 O HIS A 68 -11.533 -3.968 0.496 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.938 -2.458 2.846 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.911 -3.582 3.838 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.808 -3.697 4.876 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.082 -4.647 3.946 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -12.531 -4.781 5.576 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.489 -5.372 5.029 1.00 1.95 N ATOM 0 H HIS A 68 -11.186 -1.028 0.472 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.802 -2.371 2.699 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -12.110 -1.521 3.376 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.782 -2.601 2.171 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.252 -4.880 3.296 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.067 -5.125 6.448 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.055 -6.233 5.361 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.314 -3.958 0.843 1.00 0.23 N ATOM 1321 CA HIS A 69 -9.067 -5.123 0.012 1.00 0.26 C ATOM 1322 C HIS A 69 -9.470 -6.365 0.792 1.00 0.29 C ATOM 1323 O HIS A 69 -8.649 -6.966 1.486 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.589 -5.226 -0.392 1.00 0.32 C ATOM 1325 CG HIS A 69 -7.008 -3.984 -1.003 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.739 -3.071 -1.722 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.740 -3.517 -0.998 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.947 -2.099 -2.133 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.722 -2.345 -1.707 1.00 0.39 N ATOM 0 H HIS A 69 -8.475 -3.542 1.246 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.654 -5.032 -0.902 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -7.004 -5.486 0.491 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.478 -6.047 -1.101 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.892 -3.984 -0.520 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.250 -1.245 -2.720 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.902 -1.762 -1.877 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.740 -6.714 0.715 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.276 -7.821 1.488 1.00 0.37 C ATOM 1340 C LYS A 70 -11.116 -9.160 0.775 1.00 0.31 C ATOM 1341 O LYS A 70 -11.580 -9.338 -0.353 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.748 -7.573 1.819 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.553 -7.006 0.660 1.00 1.01 C ATOM 1344 CD LYS A 70 -15.047 -6.947 0.960 1.00 1.00 C ATOM 1345 CE LYS A 70 -15.352 -6.262 2.279 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.469 -7.229 3.405 1.00 2.30 N ATOM 0 H LYS A 70 -11.424 -6.245 0.122 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.699 -7.876 2.411 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -13.201 -8.511 2.139 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.810 -6.885 2.662 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -13.193 -6.004 0.427 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.388 -7.618 -0.227 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.555 -6.417 0.154 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.450 -7.960 0.979 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.565 -5.542 2.502 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -16.282 -5.700 2.188 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -16.458 -7.272 3.724 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -15.167 -8.172 3.086 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -14.864 -6.920 4.193 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.434 -10.079 1.456 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.304 -11.475 1.028 1.00 0.37 C ATOM 1362 C ASP A 71 -9.635 -11.580 -0.337 1.00 0.33 C ATOM 1363 O ASP A 71 -10.280 -11.885 -1.343 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.675 -12.159 0.989 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.585 -13.667 1.143 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.795 -14.179 2.261 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.274 -14.348 0.137 1.00 2.07 O ATOM 0 H ASP A 71 -9.950 -9.875 2.330 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.673 -11.982 1.758 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.301 -11.754 1.784 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.167 -11.923 0.045 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.341 -11.316 -0.367 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.572 -11.418 -1.596 1.00 0.30 C ATOM 1374 C TRP A 72 -6.458 -12.438 -1.444 1.00 0.31 C ATOM 1375 O TRP A 72 -5.978 -12.686 -0.337 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.981 -10.060 -1.980 1.00 0.30 C ATOM 1377 CG TRP A 72 -6.113 -9.451 -0.916 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.513 -8.616 0.083 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.701 -9.623 -0.750 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.440 -8.266 0.864 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.317 -8.869 0.371 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.719 -10.340 -1.434 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -3.001 -8.816 0.814 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.416 -10.275 -0.979 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.073 -9.522 0.129 1.00 0.43 C ATOM 0 H TRP A 72 -7.799 -11.029 0.448 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.246 -11.744 -2.388 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.395 -10.175 -2.892 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.795 -9.372 -2.209 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.527 -8.278 0.238 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.475 -7.655 1.680 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.972 -10.933 -2.300 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.728 -8.229 1.679 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.647 -10.825 -1.501 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.043 -9.497 0.454 1.00 0.43 H new ATOM 1396 N ALA A 73 -6.054 -13.034 -2.550 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.958 -13.977 -2.542 1.00 0.50 C ATOM 1398 C ALA A 73 -3.825 -13.481 -3.421 1.00 0.48 C ATOM 1399 O ALA A 73 -4.040 -12.669 -4.318 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.446 -15.327 -3.027 1.00 0.55 C ATOM 0 H ALA A 73 -6.472 -12.879 -3.467 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.583 -14.076 -1.523 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.619 -16.037 -3.020 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.237 -15.686 -2.369 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.834 -15.231 -4.041 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.616 -13.928 -3.138 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.490 -13.634 -4.006 1.00 0.67 C ATOM 1408 C LEU A 74 -1.733 -14.145 -5.418 1.00 0.57 C ATOM 1409 O LEU A 74 -2.238 -15.248 -5.621 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.203 -14.236 -3.463 1.00 0.95 C ATOM 1411 CG LEU A 74 0.431 -13.482 -2.303 1.00 0.68 C ATOM 1412 CD1 LEU A 74 -0.025 -14.039 -0.962 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.938 -13.525 -2.441 1.00 1.71 C ATOM 0 H LEU A 74 -2.388 -14.492 -2.319 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.386 -12.549 -4.037 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.407 -15.258 -3.142 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.522 -14.295 -4.275 1.00 0.95 H new ATOM 0 HG LEU A 74 0.105 -12.442 -2.335 1.00 0.68 H new ATOM 0 HD11 LEU A 74 0.447 -13.478 -0.155 1.00 1.28 H new ATOM 0 HD12 LEU A 74 -1.108 -13.950 -0.881 1.00 1.28 H new ATOM 0 HD13 LEU A 74 0.260 -15.089 -0.888 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.395 -12.986 -1.611 1.00 1.71 H new ATOM 0 HD22 LEU A 74 2.275 -14.562 -2.429 1.00 1.71 H new ATOM 0 HD23 LEU A 74 2.231 -13.059 -3.382 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.359 -13.323 -6.382 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.582 -13.634 -7.779 1.00 0.56 C ATOM 1427 C GLY A 75 -3.019 -13.403 -8.200 1.00 0.51 C ATOM 1428 O GLY A 75 -3.409 -13.747 -9.316 1.00 0.59 O ATOM 0 H GLY A 75 -0.896 -12.429 -6.219 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -0.923 -13.022 -8.394 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.315 -14.674 -7.964 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.810 -12.819 -7.312 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.221 -12.599 -7.584 1.00 0.40 C ATOM 1434 C GLU A 76 -5.468 -11.153 -8.006 1.00 0.36 C ATOM 1435 O GLU A 76 -4.761 -10.234 -7.578 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.052 -12.961 -6.352 1.00 0.44 C ATOM 1437 CG GLU A 76 -7.551 -13.008 -6.591 1.00 0.92 C ATOM 1438 CD GLU A 76 -8.303 -13.558 -5.399 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -8.782 -12.753 -4.569 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.424 -14.794 -5.284 1.00 1.59 O ATOM 0 H GLU A 76 -3.498 -12.490 -6.398 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.527 -13.243 -8.409 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.726 -13.933 -5.983 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -5.846 -12.236 -5.565 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -7.913 -12.005 -6.815 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.759 -13.625 -7.465 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.471 -10.976 -8.851 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.849 -9.672 -9.369 1.00 0.43 C ATOM 1449 C GLU A 77 -8.316 -9.415 -9.033 1.00 0.44 C ATOM 1450 O GLU A 77 -9.205 -10.128 -9.505 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.630 -9.629 -10.883 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.961 -8.289 -11.521 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.717 -8.284 -13.015 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.583 -7.970 -13.434 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.655 -8.591 -13.778 1.00 0.90 O ATOM 0 H GLU A 77 -7.050 -11.740 -9.199 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.233 -8.897 -8.913 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.589 -9.873 -11.096 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -7.241 -10.402 -11.350 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -8.005 -8.045 -11.326 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.359 -7.509 -11.055 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.566 -8.421 -8.204 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.910 -8.149 -7.715 1.00 0.41 C ATOM 1464 C PHE A 78 -10.274 -6.685 -7.910 1.00 0.42 C ATOM 1465 O PHE A 78 -9.398 -5.828 -7.969 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.996 -8.514 -6.229 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.945 -7.854 -5.377 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.697 -8.439 -5.219 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.204 -6.654 -4.737 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.728 -7.836 -4.441 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.239 -6.048 -3.956 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.001 -6.639 -3.809 1.00 0.52 C ATOM 0 H PHE A 78 -7.853 -7.782 -7.851 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.616 -8.754 -8.284 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.981 -8.237 -5.853 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.908 -9.595 -6.125 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.481 -9.376 -5.710 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.171 -6.187 -4.850 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.759 -8.300 -4.327 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.453 -5.112 -3.461 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.245 -6.165 -3.200 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.565 -6.406 -8.020 1.00 0.46 N ATOM 1483 CA GLN A 79 -12.033 -5.032 -8.124 1.00 0.51 C ATOM 1484 C GLN A 79 -12.159 -4.433 -6.730 1.00 0.50 C ATOM 1485 O GLN A 79 -12.580 -5.114 -5.790 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.372 -4.970 -8.860 1.00 0.62 C ATOM 1487 CG GLN A 79 -13.810 -3.555 -9.198 1.00 1.00 C ATOM 1488 CD GLN A 79 -15.047 -3.520 -10.069 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.952 -3.555 -11.297 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -16.211 -3.427 -9.450 1.00 1.94 N ATOM 0 H GLN A 79 -12.304 -7.109 -8.039 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.310 -4.453 -8.698 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.299 -5.550 -9.780 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -14.138 -5.443 -8.245 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -14.005 -3.009 -8.275 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -12.997 -3.039 -9.708 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -16.246 -3.401 -8.431 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -17.074 -3.381 -9.991 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.814 -3.160 -6.599 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.727 -2.529 -5.289 1.00 0.49 C ATOM 1501 C ASP A 80 -12.072 -1.046 -5.378 1.00 0.52 C ATOM 1502 O ASP A 80 -12.164 -0.483 -6.475 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.316 -2.703 -4.731 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.252 -2.564 -3.223 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -10.293 -3.587 -2.518 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.200 -1.417 -2.734 1.00 1.26 O ATOM 0 H ASP A 80 -11.590 -2.545 -7.381 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.445 -3.007 -4.623 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -9.938 -3.685 -5.016 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.658 -1.963 -5.186 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.241 -0.423 -4.217 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.584 0.987 -4.119 1.00 0.65 C ATOM 1513 C GLU A 81 -11.384 1.746 -3.590 1.00 0.63 C ATOM 1514 O GLU A 81 -11.265 1.998 -2.391 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.776 1.174 -3.179 1.00 0.81 C ATOM 1516 CG GLU A 81 -14.925 0.221 -3.458 1.00 1.64 C ATOM 1517 CD GLU A 81 -16.051 0.357 -2.457 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -17.003 1.118 -2.724 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -15.987 -0.291 -1.389 1.00 1.81 O ATOM 0 H GLU A 81 -12.143 -0.886 -3.314 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.857 1.367 -5.103 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -13.442 1.036 -2.151 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -14.137 2.199 -3.263 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -15.311 0.407 -4.460 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -14.554 -0.804 -3.444 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.514 2.126 -4.504 1.00 0.61 N ATOM 1527 CA ALA A 82 -9.174 2.569 -4.152 1.00 0.67 C ATOM 1528 C ALA A 82 -9.111 4.018 -3.671 1.00 0.60 C ATOM 1529 O ALA A 82 -10.115 4.730 -3.685 1.00 0.59 O ATOM 1530 CB ALA A 82 -8.266 2.362 -5.337 1.00 0.95 C ATOM 0 H ALA A 82 -10.711 2.138 -5.505 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.844 1.968 -3.305 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -7.258 2.691 -5.085 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -8.247 1.305 -5.601 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.635 2.941 -6.184 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.917 4.442 -3.233 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.699 5.810 -2.753 1.00 0.58 C ATOM 1538 C LEU A 83 -8.120 6.810 -3.818 1.00 0.59 C ATOM 1539 O LEU A 83 -8.651 7.881 -3.522 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.219 6.060 -2.399 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.652 5.305 -1.183 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.580 5.423 0.015 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.367 3.848 -1.518 1.00 1.34 C ATOM 0 H LEU A 83 -7.085 3.852 -3.202 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.301 5.938 -1.853 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.615 5.802 -3.269 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.088 7.128 -2.225 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.703 5.772 -0.917 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.155 4.880 0.859 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.699 6.473 0.281 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.553 5.000 -0.235 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.968 3.344 -0.638 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.290 3.359 -1.829 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.639 3.796 -2.327 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.914 6.413 -5.061 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.205 7.252 -6.218 1.00 0.67 C ATOM 1557 C ASP A 84 -9.713 7.413 -6.439 1.00 0.69 C ATOM 1558 O ASP A 84 -10.140 8.070 -7.388 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.540 6.667 -7.465 1.00 0.70 C ATOM 1560 CG ASP A 84 -7.861 5.194 -7.662 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.929 4.407 -7.946 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -9.036 4.806 -7.506 1.00 1.39 O ATOM 0 H ASP A 84 -7.538 5.496 -5.301 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.798 8.244 -6.025 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.865 7.226 -8.342 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.460 6.793 -7.389 1.00 0.70 H new ATOM 1567 N SER A 85 -10.502 6.797 -5.562 1.00 0.67 N ATOM 1568 CA SER A 85 -11.952 6.957 -5.549 1.00 0.74 C ATOM 1569 C SER A 85 -12.615 6.362 -6.790 1.00 0.77 C ATOM 1570 O SER A 85 -13.694 6.800 -7.199 1.00 1.09 O ATOM 1571 CB SER A 85 -12.322 8.436 -5.404 1.00 0.84 C ATOM 1572 OG SER A 85 -11.735 8.988 -4.235 1.00 1.21 O ATOM 0 H SER A 85 -10.151 6.170 -4.838 1.00 0.67 H new ATOM 0 HA SER A 85 -12.329 6.404 -4.688 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.985 8.988 -6.281 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.406 8.542 -5.357 1.00 0.84 H new ATOM 0 HG SER A 85 -11.981 9.934 -4.161 1.00 1.21 H new ATOM 1578 N THR A 86 -11.984 5.361 -7.384 1.00 0.67 N ATOM 1579 CA THR A 86 -12.590 4.658 -8.499 1.00 0.67 C ATOM 1580 C THR A 86 -12.712 3.167 -8.202 1.00 0.66 C ATOM 1581 O THR A 86 -12.087 2.653 -7.262 1.00 0.76 O ATOM 1582 CB THR A 86 -11.822 4.882 -9.822 1.00 0.76 C ATOM 1583 OG1 THR A 86 -10.418 4.670 -9.645 1.00 0.86 O ATOM 1584 CG2 THR A 86 -12.063 6.282 -10.354 1.00 0.93 C ATOM 0 H THR A 86 -11.061 5.021 -7.114 1.00 0.67 H new ATOM 0 HA THR A 86 -13.589 5.075 -8.628 1.00 0.67 H new ATOM 0 HB THR A 86 -12.196 4.158 -10.545 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.238 4.432 -8.711 1.00 0.86 H new ATOM 0 HG21 THR A 86 -11.513 6.417 -11.285 1.00 0.93 H new ATOM 0 HG22 THR A 86 -13.128 6.423 -10.538 1.00 0.93 H new ATOM 0 HG23 THR A 86 -11.721 7.013 -9.622 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.525 2.484 -8.999 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.817 1.071 -8.796 1.00 0.76 C ATOM 1594 C GLN A 87 -13.072 0.261 -9.832 1.00 0.66 C ATOM 1595 O GLN A 87 -13.619 -0.048 -10.879 1.00 0.89 O ATOM 1596 CB GLN A 87 -15.314 0.802 -8.972 1.00 1.02 C ATOM 1597 CG GLN A 87 -16.211 1.714 -8.165 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.068 1.498 -6.677 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.763 0.671 -6.088 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.176 2.245 -6.054 1.00 1.33 N ATOM 0 H GLN A 87 -14.000 2.894 -9.803 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.512 0.794 -7.787 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.568 0.904 -10.027 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.521 -0.231 -8.693 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.977 2.752 -8.402 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -17.248 1.547 -8.455 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -14.619 2.919 -6.579 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.043 2.148 -5.047 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.851 -0.121 -9.538 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.998 -0.673 -10.573 1.00 0.53 C ATOM 1611 C HIS A 88 -10.324 -1.944 -10.119 1.00 0.49 C ATOM 1612 O HIS A 88 -10.439 -2.336 -8.962 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.955 0.343 -11.027 1.00 0.63 C ATOM 1614 CG HIS A 88 -9.114 0.895 -9.928 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.146 0.170 -9.268 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -9.104 2.121 -9.381 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.579 0.939 -8.360 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -8.142 2.128 -8.412 1.00 0.97 N ATOM 0 H HIS A 88 -11.429 -0.063 -8.611 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.639 -0.914 -11.421 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.305 -0.127 -11.765 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.462 1.167 -11.529 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -7.907 -0.804 -9.452 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -9.740 2.949 -9.657 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.787 0.644 -7.688 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -7.899 2.925 -7.824 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.601 -2.569 -11.033 1.00 0.49 N ATOM 1628 CA LYS A 89 -9.001 -3.858 -10.755 1.00 0.49 C ATOM 1629 C LYS A 89 -7.665 -3.686 -10.038 1.00 0.45 C ATOM 1630 O LYS A 89 -6.973 -2.676 -10.210 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.843 -4.658 -12.051 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.685 -4.223 -12.926 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.548 -5.140 -14.127 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.344 -4.777 -14.969 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.154 -5.719 -16.103 1.00 1.49 N ATOM 0 H LYS A 89 -9.417 -2.205 -11.968 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.660 -4.418 -10.092 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.715 -5.711 -11.799 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.765 -4.578 -12.626 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.841 -3.197 -13.261 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.761 -4.233 -12.347 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.459 -6.172 -13.789 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.450 -5.081 -14.736 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -6.463 -3.764 -15.355 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -5.451 -4.777 -14.344 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.319 -5.435 -16.654 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.015 -6.682 -15.735 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -6.995 -5.701 -16.714 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.337 -4.665 -9.211 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.129 -4.641 -8.404 1.00 0.35 C ATOM 1651 C ILE A 90 -5.526 -6.036 -8.312 1.00 0.34 C ATOM 1652 O ILE A 90 -6.242 -7.014 -8.125 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.423 -4.137 -6.975 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.827 -2.662 -6.999 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.220 -4.360 -6.069 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.062 -2.074 -5.631 1.00 0.54 C ATOM 0 H ILE A 90 -7.904 -5.503 -9.080 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.427 -3.961 -8.887 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.258 -4.710 -6.571 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -6.047 -2.089 -7.501 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.735 -2.553 -7.592 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.448 -3.998 -5.066 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.989 -5.424 -6.027 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.361 -3.817 -6.464 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.345 -1.026 -5.729 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.863 -2.621 -5.133 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.149 -2.150 -5.041 1.00 0.54 H new ATOM 1668 N THR A 91 -4.217 -6.121 -8.452 1.00 0.30 N ATOM 1669 CA THR A 91 -3.524 -7.386 -8.312 1.00 0.30 C ATOM 1670 C THR A 91 -2.496 -7.316 -7.188 1.00 0.28 C ATOM 1671 O THR A 91 -1.795 -6.314 -7.036 1.00 0.31 O ATOM 1672 CB THR A 91 -2.828 -7.771 -9.629 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.775 -7.719 -10.703 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.221 -9.163 -9.550 1.00 0.37 C ATOM 0 H THR A 91 -3.612 -5.327 -8.663 1.00 0.30 H new ATOM 0 HA THR A 91 -4.263 -8.148 -8.066 1.00 0.30 H new ATOM 0 HB THR A 91 -2.021 -7.060 -9.808 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.332 -7.963 -11.542 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.737 -9.403 -10.497 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.484 -9.193 -8.748 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.006 -9.892 -9.349 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.420 -8.380 -6.407 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.435 -8.491 -5.338 1.00 0.33 C ATOM 1684 C PHE A 92 -0.551 -9.691 -5.588 1.00 0.39 C ATOM 1685 O PHE A 92 -1.042 -10.741 -5.985 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.106 -8.641 -3.975 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.309 -7.350 -3.240 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.463 -6.607 -3.435 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.350 -6.870 -2.369 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.655 -5.409 -2.776 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.537 -5.677 -1.704 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.687 -4.979 -1.846 1.00 0.52 C ATOM 0 H PHE A 92 -3.035 -9.189 -6.493 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.841 -7.577 -5.331 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.074 -9.124 -4.111 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.502 -9.306 -3.357 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.222 -6.970 -4.112 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.444 -7.435 -2.207 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.533 -4.811 -2.970 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -0.757 -5.295 -1.062 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.863 -4.096 -1.249 1.00 0.52 H new ATOM 1702 N ASP A 93 0.743 -9.547 -5.349 1.00 0.37 N ATOM 1703 CA ASP A 93 1.684 -10.640 -5.570 1.00 0.43 C ATOM 1704 C ASP A 93 3.056 -10.276 -5.025 1.00 0.36 C ATOM 1705 O ASP A 93 3.277 -9.153 -4.581 1.00 0.39 O ATOM 1706 CB ASP A 93 1.784 -10.981 -7.064 1.00 0.58 C ATOM 1707 CG ASP A 93 2.509 -9.926 -7.877 1.00 0.80 C ATOM 1708 OD1 ASP A 93 2.087 -8.750 -7.867 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.494 -10.280 -8.563 1.00 1.24 O ATOM 0 H ASP A 93 1.168 -8.687 -5.003 1.00 0.37 H new ATOM 0 HA ASP A 93 1.315 -11.518 -5.040 1.00 0.43 H new ATOM 0 HB2 ASP A 93 2.300 -11.934 -7.177 1.00 0.58 H new ATOM 0 HB3 ASP A 93 0.780 -11.112 -7.467 1.00 0.58 H new ATOM 1714 N LEU A 94 3.969 -11.235 -5.043 1.00 0.42 N ATOM 1715 CA LEU A 94 5.323 -11.012 -4.553 1.00 0.51 C ATOM 1716 C LEU A 94 6.269 -10.779 -5.720 1.00 0.56 C ATOM 1717 O LEU A 94 6.446 -11.646 -6.575 1.00 0.63 O ATOM 1718 CB LEU A 94 5.803 -12.202 -3.711 1.00 0.61 C ATOM 1719 CG LEU A 94 5.825 -11.981 -2.189 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.955 -11.051 -1.792 1.00 1.02 C ATOM 1721 CD2 LEU A 94 4.504 -11.413 -1.707 1.00 1.12 C ATOM 0 H LEU A 94 3.797 -12.178 -5.392 1.00 0.42 H new ATOM 0 HA LEU A 94 5.316 -10.126 -3.918 1.00 0.51 H new ATOM 0 HB2 LEU A 94 5.161 -13.057 -3.926 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.809 -12.469 -4.035 1.00 0.61 H new ATOM 0 HG LEU A 94 5.986 -12.951 -1.718 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.948 -10.911 -0.711 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.907 -11.485 -2.096 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.823 -10.087 -2.283 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.544 -11.265 -0.628 1.00 1.12 H new ATOM 0 HD22 LEU A 94 4.318 -10.457 -2.197 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.699 -12.107 -1.949 1.00 1.12 H new ATOM 1733 N LYS A 95 6.877 -9.607 -5.732 1.00 0.58 N ATOM 1734 CA LYS A 95 7.758 -9.193 -6.811 1.00 0.66 C ATOM 1735 C LYS A 95 9.177 -9.662 -6.517 1.00 0.69 C ATOM 1736 O LYS A 95 9.835 -10.289 -7.349 1.00 0.78 O ATOM 1737 CB LYS A 95 7.708 -7.669 -6.932 1.00 0.70 C ATOM 1738 CG LYS A 95 8.616 -7.077 -7.995 1.00 0.91 C ATOM 1739 CD LYS A 95 8.464 -5.565 -8.046 1.00 1.61 C ATOM 1740 CE LYS A 95 9.489 -4.919 -8.959 1.00 2.08 C ATOM 1741 NZ LYS A 95 9.281 -3.451 -9.062 1.00 3.03 N ATOM 0 H LYS A 95 6.774 -8.913 -4.992 1.00 0.58 H new ATOM 0 HA LYS A 95 7.436 -9.637 -7.753 1.00 0.66 H new ATOM 0 HB2 LYS A 95 6.682 -7.371 -7.146 1.00 0.70 H new ATOM 0 HB3 LYS A 95 7.972 -7.235 -5.968 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.653 -7.337 -7.781 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.374 -7.505 -8.968 1.00 0.91 H new ATOM 0 HD2 LYS A 95 7.461 -5.313 -8.392 1.00 1.61 H new ATOM 0 HD3 LYS A 95 8.566 -5.157 -7.041 1.00 1.61 H new ATOM 0 HE2 LYS A 95 10.492 -5.119 -8.581 1.00 2.08 H new ATOM 0 HE3 LYS A 95 9.427 -5.366 -9.951 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 10.198 -2.965 -8.991 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 8.840 -3.226 -9.977 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 8.660 -3.133 -8.291 1.00 3.03 H new ATOM 1755 N ASP A 96 9.624 -9.366 -5.311 1.00 0.65 N ATOM 1756 CA ASP A 96 10.930 -9.787 -4.832 1.00 0.70 C ATOM 1757 C ASP A 96 10.744 -10.445 -3.471 1.00 0.65 C ATOM 1758 O ASP A 96 9.683 -10.306 -2.871 1.00 0.60 O ATOM 1759 CB ASP A 96 11.875 -8.583 -4.710 1.00 0.76 C ATOM 1760 CG ASP A 96 12.228 -7.962 -6.045 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.483 -7.068 -6.504 1.00 1.03 O ATOM 1762 OD2 ASP A 96 13.242 -8.362 -6.649 1.00 1.79 O ATOM 0 H ASP A 96 9.090 -8.824 -4.632 1.00 0.65 H new ATOM 0 HA ASP A 96 11.374 -10.490 -5.537 1.00 0.70 H new ATOM 0 HB2 ASP A 96 11.410 -7.827 -4.077 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.791 -8.898 -4.210 1.00 0.76 H new ATOM 1767 N PRO A 97 11.765 -11.155 -2.954 1.00 0.73 N ATOM 1768 CA PRO A 97 11.670 -11.887 -1.676 1.00 0.76 C ATOM 1769 C PRO A 97 11.490 -10.966 -0.467 1.00 0.66 C ATOM 1770 O PRO A 97 11.520 -11.417 0.680 1.00 0.73 O ATOM 1771 CB PRO A 97 13.011 -12.632 -1.585 1.00 0.91 C ATOM 1772 CG PRO A 97 13.562 -12.611 -2.970 1.00 0.98 C ATOM 1773 CD PRO A 97 13.089 -11.323 -3.567 1.00 0.87 C ATOM 0 HA PRO A 97 10.797 -12.540 -1.658 1.00 0.76 H new ATOM 0 HB2 PRO A 97 13.687 -12.142 -0.884 1.00 0.91 H new ATOM 0 HB3 PRO A 97 12.871 -13.654 -1.232 1.00 0.91 H new ATOM 0 HG2 PRO A 97 14.651 -12.663 -2.960 1.00 0.98 H new ATOM 0 HG3 PRO A 97 13.207 -13.465 -3.547 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.756 -10.495 -3.326 1.00 0.87 H new ATOM 0 HD3 PRO A 97 13.029 -11.378 -4.654 1.00 0.87 H new ATOM 1781 N ASN A 98 11.308 -9.680 -0.731 1.00 0.57 N ATOM 1782 CA ASN A 98 11.036 -8.706 0.312 1.00 0.55 C ATOM 1783 C ASN A 98 10.199 -7.563 -0.261 1.00 0.46 C ATOM 1784 O ASN A 98 10.242 -6.437 0.228 1.00 0.50 O ATOM 1785 CB ASN A 98 12.345 -8.165 0.904 1.00 0.68 C ATOM 1786 CG ASN A 98 12.136 -7.433 2.222 1.00 1.38 C ATOM 1787 OD1 ASN A 98 11.243 -7.773 3.002 1.00 2.32 O ATOM 1788 ND2 ASN A 98 12.958 -6.426 2.478 1.00 1.91 N ATOM 0 H ASN A 98 11.345 -9.285 -1.671 1.00 0.57 H new ATOM 0 HA ASN A 98 10.479 -9.193 1.113 1.00 0.55 H new ATOM 0 HB2 ASN A 98 13.038 -8.992 1.058 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.811 -7.488 0.187 1.00 0.68 H new ATOM 0 HD21 ASN A 98 12.865 -5.900 3.347 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.684 -6.177 1.806 1.00 1.91 H new ATOM 1795 N THR A 99 9.435 -7.863 -1.311 1.00 0.43 N ATOM 1796 CA THR A 99 8.626 -6.848 -1.977 1.00 0.39 C ATOM 1797 C THR A 99 7.268 -7.406 -2.411 1.00 0.33 C ATOM 1798 O THR A 99 7.179 -8.187 -3.360 1.00 0.37 O ATOM 1799 CB THR A 99 9.342 -6.280 -3.220 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.663 -5.840 -2.881 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.555 -5.116 -3.810 1.00 0.51 C ATOM 0 H THR A 99 9.361 -8.796 -1.716 1.00 0.43 H new ATOM 0 HA THR A 99 8.474 -6.051 -1.249 1.00 0.39 H new ATOM 0 HB THR A 99 9.408 -7.076 -3.962 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.104 -5.484 -3.680 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.077 -4.730 -4.685 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.562 -5.459 -4.102 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.462 -4.325 -3.066 1.00 0.51 H new ATOM 1809 N LEU A 100 6.224 -7.001 -1.703 1.00 0.28 N ATOM 1810 CA LEU A 100 4.848 -7.332 -2.068 1.00 0.26 C ATOM 1811 C LEU A 100 4.275 -6.215 -2.941 1.00 0.27 C ATOM 1812 O LEU A 100 4.371 -5.052 -2.583 1.00 0.34 O ATOM 1813 CB LEU A 100 4.014 -7.495 -0.790 1.00 0.28 C ATOM 1814 CG LEU A 100 2.494 -7.475 -0.972 1.00 0.45 C ATOM 1815 CD1 LEU A 100 2.019 -8.731 -1.672 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.799 -7.312 0.371 1.00 1.10 C ATOM 0 H LEU A 100 6.303 -6.434 -0.859 1.00 0.28 H new ATOM 0 HA LEU A 100 4.822 -8.266 -2.630 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.291 -8.437 -0.317 1.00 0.28 H new ATOM 0 HB3 LEU A 100 4.287 -6.699 -0.098 1.00 0.28 H new ATOM 0 HG LEU A 100 2.236 -6.621 -1.599 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.936 -8.694 -1.790 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.489 -8.801 -2.653 1.00 1.10 H new ATOM 0 HD13 LEU A 100 2.290 -9.603 -1.077 1.00 1.10 H new ATOM 0 HD21 LEU A 100 0.719 -7.300 0.223 1.00 1.10 H new ATOM 0 HD22 LEU A 100 2.066 -8.144 1.022 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.113 -6.375 0.832 1.00 1.10 H new ATOM 1828 N THR A 101 3.683 -6.542 -4.075 1.00 0.29 N ATOM 1829 CA THR A 101 3.232 -5.511 -4.996 1.00 0.31 C ATOM 1830 C THR A 101 1.713 -5.417 -5.071 1.00 0.30 C ATOM 1831 O THR A 101 1.014 -6.434 -5.100 1.00 0.31 O ATOM 1832 CB THR A 101 3.785 -5.751 -6.414 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.950 -7.156 -6.660 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.110 -5.037 -6.607 1.00 0.41 C ATOM 0 H THR A 101 3.504 -7.499 -4.379 1.00 0.29 H new ATOM 0 HA THR A 101 3.616 -4.570 -4.602 1.00 0.31 H new ATOM 0 HB THR A 101 3.065 -5.348 -7.126 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.148 -7.507 -7.101 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.479 -5.222 -7.616 1.00 0.41 H new ATOM 0 HG22 THR A 101 4.970 -3.966 -6.462 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.833 -5.410 -5.882 1.00 0.41 H new ATOM 1842 N GLU A 102 1.218 -4.182 -5.080 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.172 -3.913 -5.412 1.00 0.33 C ATOM 1844 C GLU A 102 -0.222 -3.192 -6.749 1.00 0.35 C ATOM 1845 O GLU A 102 0.094 -2.004 -6.839 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.872 -3.048 -4.355 1.00 0.39 C ATOM 1847 CG GLU A 102 -2.350 -2.834 -4.669 1.00 0.56 C ATOM 1848 CD GLU A 102 -3.005 -1.732 -3.857 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -3.282 -1.947 -2.654 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.285 -0.661 -4.436 1.00 0.98 O ATOM 0 H GLU A 102 1.765 -3.350 -4.859 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.695 -4.868 -5.454 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.775 -3.522 -3.378 1.00 0.39 H new ATOM 0 HB3 GLU A 102 -0.373 -2.081 -4.291 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.455 -2.601 -5.729 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.886 -3.767 -4.494 1.00 0.56 H new ATOM 1857 N THR A 103 -0.590 -3.910 -7.789 1.00 0.36 N ATOM 1858 CA THR A 103 -0.711 -3.322 -9.104 1.00 0.39 C ATOM 1859 C THR A 103 -2.174 -3.009 -9.378 1.00 0.39 C ATOM 1860 O THR A 103 -2.981 -3.914 -9.585 1.00 0.42 O ATOM 1861 CB THR A 103 -0.170 -4.274 -10.185 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.184 -4.636 -9.872 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.226 -3.628 -11.563 1.00 0.46 C ATOM 0 H THR A 103 -0.811 -4.905 -7.748 1.00 0.36 H new ATOM 0 HA THR A 103 -0.122 -2.405 -9.134 1.00 0.39 H new ATOM 0 HB THR A 103 -0.796 -5.166 -10.203 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.527 -5.244 -10.560 1.00 0.51 H new ATOM 0 HG21 THR A 103 0.163 -4.323 -12.307 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.259 -3.377 -11.805 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.378 -2.721 -11.564 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.522 -1.734 -9.357 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.911 -1.355 -9.514 1.00 0.45 C ATOM 1873 C HIS A 104 -4.133 -0.598 -10.817 1.00 0.40 C ATOM 1874 O HIS A 104 -3.523 0.447 -11.064 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.421 -0.560 -8.299 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.757 0.762 -8.040 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.274 1.961 -8.489 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -2.650 1.076 -7.325 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -3.518 2.951 -8.061 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -2.529 2.445 -7.354 1.00 1.69 N ATOM 0 H HIS A 104 -1.873 -0.957 -9.235 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.499 -2.272 -9.566 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -5.489 -0.386 -8.428 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.304 -1.181 -7.411 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -1.988 0.383 -6.827 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -3.682 4.000 -8.257 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -1.791 2.983 -6.900 1.00 1.69 H new ATOM 1889 N ILE A 105 -5.003 -1.153 -11.649 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.309 -0.577 -12.947 1.00 0.52 C ATOM 1891 C ILE A 105 -6.746 -0.091 -12.989 1.00 0.54 C ATOM 1892 O ILE A 105 -7.681 -0.838 -12.673 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.097 -1.589 -14.088 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.646 -2.064 -14.115 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.485 -0.973 -15.429 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -3.323 -2.964 -15.280 1.00 0.75 C ATOM 0 H ILE A 105 -5.514 -2.012 -11.443 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.626 0.260 -13.090 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.739 -2.451 -13.909 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.989 -1.195 -14.146 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.429 -2.594 -13.187 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -5.329 -1.703 -16.223 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.535 -0.682 -15.405 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.869 -0.094 -15.617 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -2.275 -3.260 -15.231 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.954 -3.852 -15.239 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.506 -2.431 -16.213 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.910 1.173 -13.344 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.228 1.757 -13.512 1.00 0.63 C ATOM 1910 C LYS A 106 -8.998 1.066 -14.630 1.00 0.67 C ATOM 1911 O LYS A 106 -8.540 0.987 -15.769 1.00 0.70 O ATOM 1912 CB LYS A 106 -8.114 3.257 -13.783 1.00 0.73 C ATOM 1913 CG LYS A 106 -7.604 4.050 -12.591 1.00 0.81 C ATOM 1914 CD LYS A 106 -7.375 5.511 -12.945 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.949 6.318 -11.728 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.565 7.708 -12.087 1.00 1.61 N ATOM 0 H LYS A 106 -6.140 1.817 -13.522 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.784 1.611 -12.586 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -7.445 3.416 -14.629 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -9.092 3.641 -14.074 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -8.322 3.982 -11.774 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -6.672 3.612 -12.234 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -6.610 5.584 -13.718 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -8.289 5.933 -13.361 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -7.765 6.343 -11.006 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -6.108 5.824 -11.242 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -6.282 8.223 -11.229 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -5.769 7.686 -12.756 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.375 8.189 -12.528 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.155 0.535 -14.261 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.068 -0.091 -15.207 1.00 0.78 C ATOM 1932 C VAL A 107 -11.486 0.888 -16.299 1.00 0.86 C ATOM 1933 O VAL A 107 -11.825 0.493 -17.411 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.321 -0.624 -14.515 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -12.012 -1.897 -13.748 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.853 0.436 -13.602 1.00 1.11 C ATOM 0 H VAL A 107 -10.487 0.526 -13.297 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.528 -0.926 -15.654 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.075 -0.871 -15.262 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.919 -2.259 -13.263 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.641 -2.656 -14.437 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -11.254 -1.692 -12.992 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.749 0.069 -13.101 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.098 0.687 -12.857 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.101 1.325 -14.182 1.00 1.11 H new ATOM 1946 N ASP A 108 -11.455 2.173 -15.960 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.796 3.227 -16.902 1.00 1.00 C ATOM 1948 C ASP A 108 -10.592 3.589 -17.754 1.00 0.97 C ATOM 1949 O ASP A 108 -10.628 3.480 -18.979 1.00 1.06 O ATOM 1950 CB ASP A 108 -12.294 4.474 -16.169 1.00 1.05 C ATOM 1951 CG ASP A 108 -13.660 4.291 -15.546 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.730 4.048 -14.321 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -14.669 4.354 -16.278 1.00 2.50 O ATOM 0 H ASP A 108 -11.195 2.508 -15.033 1.00 0.89 H new ATOM 0 HA ASP A 108 -12.593 2.854 -17.545 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -11.579 4.740 -15.390 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -12.329 5.309 -16.868 1.00 1.05 H new ATOM 1958 N ASP A 109 -9.519 4.014 -17.099 1.00 0.91 N ATOM 1959 CA ASP A 109 -8.304 4.409 -17.799 1.00 0.92 C ATOM 1960 C ASP A 109 -7.125 3.565 -17.355 1.00 0.84 C ATOM 1961 O ASP A 109 -6.444 3.889 -16.381 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.978 5.887 -17.564 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.980 6.826 -18.200 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -9.851 7.353 -17.477 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.892 7.054 -19.426 1.00 1.94 O ATOM 0 H ASP A 109 -9.466 4.094 -16.084 1.00 0.91 H new ATOM 0 HA ASP A 109 -8.483 4.251 -18.863 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -7.940 6.078 -16.492 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -6.986 6.101 -17.961 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.863 2.475 -18.078 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.714 1.606 -17.825 1.00 0.78 C ATOM 1972 C PRO A 110 -4.400 2.295 -18.174 1.00 0.86 C ATOM 1973 O PRO A 110 -3.313 1.764 -17.937 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.963 0.415 -18.748 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.816 0.954 -19.837 1.00 0.84 C ATOM 1976 CD PRO A 110 -7.677 1.996 -19.203 1.00 0.83 C ATOM 0 HA PRO A 110 -5.624 1.328 -16.775 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.028 0.015 -19.139 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.462 -0.398 -18.220 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.208 1.382 -20.634 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.422 0.166 -20.285 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -7.912 2.801 -19.900 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -8.626 1.581 -18.864 1.00 0.83 H new ATOM 1984 N THR A 111 -4.524 3.487 -18.736 1.00 0.93 N ATOM 1985 CA THR A 111 -3.384 4.313 -19.072 1.00 1.05 C ATOM 1986 C THR A 111 -2.781 4.911 -17.811 1.00 0.94 C ATOM 1987 O THR A 111 -1.583 5.178 -17.742 1.00 0.98 O ATOM 1988 CB THR A 111 -3.811 5.439 -20.027 1.00 1.30 C ATOM 1989 OG1 THR A 111 -5.009 6.059 -19.537 1.00 1.33 O ATOM 1990 CG2 THR A 111 -4.063 4.895 -21.419 1.00 1.47 C ATOM 0 H THR A 111 -5.423 3.907 -18.971 1.00 0.93 H new ATOM 0 HA THR A 111 -2.636 3.692 -19.564 1.00 1.05 H new ATOM 0 HB THR A 111 -3.006 6.173 -20.076 1.00 1.30 H new ATOM 0 HG1 THR A 111 -5.278 6.778 -20.147 1.00 1.33 H new ATOM 0 HG21 THR A 111 -4.364 5.709 -22.079 1.00 1.47 H new ATOM 0 HG22 THR A 111 -3.151 4.437 -21.801 1.00 1.47 H new ATOM 0 HG23 THR A 111 -4.856 4.148 -21.380 1.00 1.47 H new ATOM 1998 N ASP A 112 -3.622 5.101 -16.805 1.00 0.86 N ATOM 1999 CA ASP A 112 -3.182 5.678 -15.543 1.00 0.86 C ATOM 2000 C ASP A 112 -3.063 4.593 -14.476 1.00 0.79 C ATOM 2001 O ASP A 112 -3.683 4.663 -13.414 1.00 1.18 O ATOM 2002 CB ASP A 112 -4.145 6.776 -15.084 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.533 7.676 -14.028 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -4.042 7.685 -12.883 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.535 8.364 -14.322 1.00 1.40 O ATOM 0 H ASP A 112 -4.614 4.864 -16.838 1.00 0.86 H new ATOM 0 HA ASP A 112 -2.200 6.127 -15.695 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -4.442 7.378 -15.943 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -5.051 6.318 -14.687 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.294 3.563 -14.798 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.985 2.505 -13.873 1.00 0.68 C ATOM 2012 C VAL A 113 -1.031 3.005 -12.785 1.00 0.60 C ATOM 2013 O VAL A 113 -0.362 4.020 -12.962 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.349 1.332 -14.646 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -0.077 1.777 -15.344 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -1.064 0.175 -13.730 1.00 1.23 C ATOM 0 H VAL A 113 -1.868 3.446 -15.717 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.902 2.169 -13.389 1.00 0.68 H new ATOM 0 HB VAL A 113 -2.063 1.002 -15.401 1.00 0.86 H new ATOM 0 HG11 VAL A 113 0.356 0.935 -15.883 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -0.309 2.577 -16.047 1.00 1.60 H new ATOM 0 HG13 VAL A 113 0.637 2.139 -14.604 1.00 1.60 H new ATOM 0 HG21 VAL A 113 -0.616 -0.639 -14.300 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -0.375 0.492 -12.947 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -1.994 -0.168 -13.277 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.992 2.312 -11.659 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.054 2.639 -10.600 1.00 0.47 C ATOM 2028 C GLU A 114 0.227 1.395 -9.765 1.00 0.44 C ATOM 2029 O GLU A 114 -0.635 0.518 -9.637 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.621 3.757 -9.727 1.00 0.64 C ATOM 2031 CG GLU A 114 0.389 4.382 -8.783 1.00 0.96 C ATOM 2032 CD GLU A 114 -0.259 5.355 -7.823 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -1.236 4.967 -7.148 1.00 2.78 O ATOM 2034 OE2 GLU A 114 0.200 6.511 -7.742 1.00 2.10 O ATOM 0 H GLU A 114 -1.600 1.519 -11.455 1.00 0.45 H new ATOM 0 HA GLU A 114 0.882 2.987 -11.038 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.029 4.535 -10.372 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.451 3.361 -9.142 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.892 3.597 -8.219 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.154 4.899 -9.362 1.00 0.96 H new ATOM 2041 N THR A 115 1.426 1.308 -9.205 1.00 0.45 N ATOM 2042 CA THR A 115 1.818 0.144 -8.432 1.00 0.45 C ATOM 2043 C THR A 115 2.500 0.548 -7.127 1.00 0.44 C ATOM 2044 O THR A 115 3.404 1.385 -7.111 1.00 0.51 O ATOM 2045 CB THR A 115 2.763 -0.769 -9.244 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.124 -1.163 -10.466 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.150 -2.010 -8.451 1.00 0.53 C ATOM 0 H THR A 115 2.142 2.031 -9.273 1.00 0.45 H new ATOM 0 HA THR A 115 0.907 -0.406 -8.197 1.00 0.45 H new ATOM 0 HB THR A 115 3.670 -0.206 -9.464 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.727 -1.741 -10.979 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.815 -2.632 -9.050 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.659 -1.712 -7.534 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.253 -2.576 -8.200 1.00 0.53 H new ATOM 2055 N TYR A 116 2.047 -0.052 -6.041 1.00 0.41 N ATOM 2056 CA TYR A 116 2.657 0.147 -4.736 1.00 0.43 C ATOM 2057 C TYR A 116 3.515 -1.063 -4.423 1.00 0.38 C ATOM 2058 O TYR A 116 3.196 -2.164 -4.873 1.00 0.39 O ATOM 2059 CB TYR A 116 1.588 0.315 -3.655 1.00 0.54 C ATOM 2060 CG TYR A 116 0.574 1.399 -3.947 1.00 0.57 C ATOM 2061 CD1 TYR A 116 0.969 2.615 -4.491 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.773 1.208 -3.680 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.048 3.610 -4.756 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.697 2.196 -3.945 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.293 3.384 -4.484 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.208 4.380 -4.732 1.00 0.96 O ATOM 0 H TYR A 116 1.250 -0.688 -6.037 1.00 0.41 H new ATOM 0 HA TYR A 116 3.263 1.053 -4.753 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.064 -0.632 -3.528 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.078 0.538 -2.707 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.013 2.785 -4.710 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -1.104 0.270 -3.258 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.369 4.554 -5.171 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.742 2.030 -3.726 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.038 4.768 -5.616 1.00 0.96 H new ATOM 2076 N GLU A 117 4.589 -0.901 -3.664 1.00 0.37 N ATOM 2077 CA GLU A 117 5.487 -2.005 -3.387 1.00 0.35 C ATOM 2078 C GLU A 117 5.784 -2.014 -1.891 1.00 0.34 C ATOM 2079 O GLU A 117 6.175 -0.999 -1.326 1.00 0.44 O ATOM 2080 CB GLU A 117 6.784 -1.843 -4.187 1.00 0.44 C ATOM 2081 CG GLU A 117 6.562 -1.719 -5.686 1.00 0.92 C ATOM 2082 CD GLU A 117 7.823 -1.373 -6.442 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.598 -2.297 -6.769 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.056 -0.176 -6.704 1.00 1.18 O ATOM 0 H GLU A 117 4.857 -0.017 -3.231 1.00 0.37 H new ATOM 0 HA GLU A 117 5.025 -2.948 -3.680 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.312 -0.958 -3.832 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.430 -2.699 -3.993 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.162 -2.659 -6.068 1.00 0.92 H new ATOM 0 HG3 GLU A 117 5.810 -0.953 -5.874 1.00 0.92 H new ATOM 2091 N TYR A 118 5.561 -3.143 -1.252 1.00 0.29 N ATOM 2092 CA TYR A 118 5.673 -3.241 0.192 1.00 0.29 C ATOM 2093 C TYR A 118 6.909 -4.032 0.599 1.00 0.31 C ATOM 2094 O TYR A 118 7.004 -5.229 0.335 1.00 0.41 O ATOM 2095 CB TYR A 118 4.403 -3.887 0.757 1.00 0.32 C ATOM 2096 CG TYR A 118 3.147 -3.138 0.374 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.893 -1.875 0.887 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.218 -3.682 -0.508 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.759 -1.180 0.537 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.087 -2.992 -0.859 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.863 -1.744 -0.335 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.258 -1.068 -0.693 1.00 0.60 O ATOM 0 H TYR A 118 5.299 -4.014 -1.713 1.00 0.29 H new ATOM 0 HA TYR A 118 5.781 -2.238 0.604 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.332 -4.914 0.398 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.476 -3.933 1.844 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.598 -1.429 1.573 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.391 -4.664 -0.923 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.575 -0.197 0.946 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.376 -3.428 -1.545 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.782 -1.611 -1.318 1.00 0.60 H new ATOM 2112 N ARG A 119 7.857 -3.344 1.225 1.00 0.31 N ATOM 2113 CA ARG A 119 9.078 -3.976 1.710 1.00 0.35 C ATOM 2114 C ARG A 119 9.151 -3.882 3.230 1.00 0.35 C ATOM 2115 O ARG A 119 8.450 -3.079 3.840 1.00 0.42 O ATOM 2116 CB ARG A 119 10.317 -3.306 1.104 1.00 0.46 C ATOM 2117 CG ARG A 119 10.282 -3.183 -0.411 1.00 1.14 C ATOM 2118 CD ARG A 119 11.642 -2.784 -0.963 1.00 1.30 C ATOM 2119 NE ARG A 119 12.150 -1.546 -0.368 1.00 1.83 N ATOM 2120 CZ ARG A 119 13.336 -1.440 0.240 1.00 2.50 C ATOM 2121 NH1 ARG A 119 14.128 -2.500 0.358 1.00 2.76 N ATOM 2122 NH2 ARG A 119 13.729 -0.271 0.730 1.00 3.41 N ATOM 0 H ARG A 119 7.802 -2.342 1.409 1.00 0.31 H new ATOM 0 HA ARG A 119 9.057 -5.023 1.408 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.426 -2.311 1.535 1.00 0.46 H new ATOM 0 HB3 ARG A 119 11.201 -3.876 1.391 1.00 0.46 H new ATOM 0 HG2 ARG A 119 9.974 -4.133 -0.848 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.537 -2.442 -0.701 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.354 -3.589 -0.781 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.569 -2.660 -2.044 1.00 1.30 H new ATOM 0 HE ARG A 119 11.563 -0.714 -0.421 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.833 -3.402 -0.016 1.00 2.76 H new ATOM 0 HH12 ARG A 119 15.032 -2.412 0.823 1.00 2.76 H new ATOM 0 HH21 ARG A 119 13.126 0.547 0.643 1.00 3.41 H new ATOM 0 HH22 ARG A 119 14.634 -0.191 1.194 1.00 3.41 H new ATOM 2136 N ARG A 120 9.985 -4.708 3.841 1.00 0.36 N ATOM 2137 CA ARG A 120 10.226 -4.606 5.275 1.00 0.41 C ATOM 2138 C ARG A 120 11.660 -4.201 5.562 1.00 0.46 C ATOM 2139 O ARG A 120 12.596 -4.723 4.957 1.00 0.63 O ATOM 2140 CB ARG A 120 9.913 -5.919 5.995 1.00 0.49 C ATOM 2141 CG ARG A 120 8.430 -6.178 6.192 1.00 1.06 C ATOM 2142 CD ARG A 120 7.759 -5.078 7.006 1.00 0.97 C ATOM 2143 NE ARG A 120 8.411 -4.852 8.302 1.00 1.27 N ATOM 2144 CZ ARG A 120 7.804 -5.003 9.483 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.588 -5.524 9.552 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.434 -4.672 10.600 1.00 1.96 N ATOM 0 H ARG A 120 10.504 -5.451 3.373 1.00 0.36 H new ATOM 0 HA ARG A 120 9.555 -3.834 5.653 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.343 -6.744 5.427 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.403 -5.913 6.969 1.00 0.49 H new ATOM 0 HG2 ARG A 120 7.944 -6.257 5.220 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.293 -7.135 6.695 1.00 1.06 H new ATOM 0 HD2 ARG A 120 7.768 -4.151 6.433 1.00 0.97 H new ATOM 0 HD3 ARG A 120 6.714 -5.340 7.171 1.00 0.97 H new ATOM 0 HE ARG A 120 9.389 -4.561 8.301 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.108 -5.813 8.700 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.132 -5.636 10.457 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.383 -4.301 10.559 1.00 1.96 H new ATOM 0 HH22 ARG A 120 7.970 -4.788 11.501 1.00 1.96 H new ATOM 2160 N ASP A 121 11.812 -3.255 6.479 1.00 0.49 N ATOM 2161 CA ASP A 121 13.121 -2.820 6.945 1.00 0.59 C ATOM 2162 C ASP A 121 13.001 -2.317 8.375 1.00 0.66 C ATOM 2163 O ASP A 121 12.583 -1.184 8.614 1.00 1.08 O ATOM 2164 CB ASP A 121 13.682 -1.721 6.035 1.00 0.67 C ATOM 2165 CG ASP A 121 15.058 -1.245 6.457 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.047 -1.974 6.229 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.168 -0.122 6.994 1.00 0.88 O ATOM 0 H ASP A 121 11.032 -2.768 6.920 1.00 0.49 H new ATOM 0 HA ASP A 121 13.811 -3.664 6.915 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.731 -2.094 5.012 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.996 -0.874 6.033 1.00 0.67 H new ATOM 2172 N GLY A 122 13.326 -3.181 9.325 1.00 0.73 N ATOM 2173 CA GLY A 122 13.181 -2.834 10.725 1.00 0.83 C ATOM 2174 C GLY A 122 11.727 -2.840 11.150 1.00 0.78 C ATOM 2175 O GLY A 122 10.935 -3.642 10.651 1.00 0.92 O ATOM 0 H GLY A 122 13.688 -4.119 9.152 1.00 0.73 H new ATOM 0 HA2 GLY A 122 13.743 -3.540 11.336 1.00 0.83 H new ATOM 0 HA3 GLY A 122 13.609 -1.848 10.903 1.00 0.83 H new ATOM 2179 N ASP A 123 11.364 -1.930 12.044 1.00 0.70 N ATOM 2180 CA ASP A 123 9.981 -1.811 12.511 1.00 0.78 C ATOM 2181 C ASP A 123 9.187 -0.919 11.554 1.00 0.64 C ATOM 2182 O ASP A 123 8.240 -0.230 11.938 1.00 0.75 O ATOM 2183 CB ASP A 123 9.956 -1.240 13.938 1.00 0.98 C ATOM 2184 CG ASP A 123 8.583 -1.305 14.590 1.00 1.67 C ATOM 2185 OD1 ASP A 123 8.015 -2.414 14.679 1.00 2.17 O ATOM 2186 OD2 ASP A 123 8.082 -0.254 15.049 1.00 2.31 O ATOM 0 H ASP A 123 12.007 -1.259 12.464 1.00 0.70 H new ATOM 0 HA ASP A 123 9.518 -2.798 12.529 1.00 0.78 H new ATOM 0 HB2 ASP A 123 10.669 -1.789 14.554 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.289 -0.203 13.912 1.00 0.98 H new ATOM 2191 N TYR A 124 9.595 -0.935 10.292 1.00 0.48 N ATOM 2192 CA TYR A 124 8.985 -0.102 9.277 1.00 0.36 C ATOM 2193 C TYR A 124 8.455 -0.932 8.132 1.00 0.33 C ATOM 2194 O TYR A 124 9.145 -1.820 7.617 1.00 0.39 O ATOM 2195 CB TYR A 124 9.998 0.896 8.712 1.00 0.32 C ATOM 2196 CG TYR A 124 10.425 1.964 9.681 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.193 1.652 10.791 1.00 0.46 C ATOM 2198 CD2 TYR A 124 10.062 3.287 9.483 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.590 2.626 11.676 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.454 4.269 10.364 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.220 3.935 11.460 1.00 0.56 C ATOM 2202 OH TYR A 124 11.620 4.912 12.342 1.00 0.67 O ATOM 0 H TYR A 124 10.354 -1.524 9.949 1.00 0.48 H new ATOM 0 HA TYR A 124 8.162 0.429 9.756 1.00 0.36 H new ATOM 0 HB2 TYR A 124 10.881 0.350 8.380 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.568 1.373 7.831 1.00 0.32 H new ATOM 0 HD1 TYR A 124 11.485 0.627 10.964 1.00 0.46 H new ATOM 0 HD2 TYR A 124 9.462 3.551 8.624 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.189 2.366 12.536 1.00 0.53 H new ATOM 0 HE2 TYR A 124 10.163 5.296 10.197 1.00 0.58 H new ATOM 0 HH TYR A 124 11.345 5.790 12.004 1.00 0.67 H new ATOM 2212 N LEU A 125 7.227 -0.654 7.742 1.00 0.30 N ATOM 2213 CA LEU A 125 6.722 -1.116 6.475 1.00 0.30 C ATOM 2214 C LEU A 125 7.216 -0.128 5.429 1.00 0.27 C ATOM 2215 O LEU A 125 6.721 0.996 5.331 1.00 0.31 O ATOM 2216 CB LEU A 125 5.179 -1.204 6.524 1.00 0.36 C ATOM 2217 CG LEU A 125 4.452 -1.775 5.289 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.246 -0.714 4.211 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.206 -2.970 4.723 1.00 0.88 C ATOM 0 H LEU A 125 6.562 -0.108 8.290 1.00 0.30 H new ATOM 0 HA LEU A 125 7.076 -2.117 6.229 1.00 0.30 H new ATOM 0 HB2 LEU A 125 4.905 -1.813 7.385 1.00 0.36 H new ATOM 0 HB3 LEU A 125 4.792 -0.202 6.707 1.00 0.36 H new ATOM 0 HG LEU A 125 3.467 -2.107 5.618 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.731 -1.157 3.359 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.646 0.102 4.614 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.214 -0.329 3.890 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.675 -3.356 3.853 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.209 -2.661 4.429 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.275 -3.750 5.482 1.00 0.88 H new ATOM 2231 N VAL A 126 8.222 -0.533 4.678 1.00 0.29 N ATOM 2232 CA VAL A 126 8.866 0.372 3.752 1.00 0.34 C ATOM 2233 C VAL A 126 8.205 0.253 2.402 1.00 0.36 C ATOM 2234 O VAL A 126 8.498 -0.642 1.610 1.00 0.43 O ATOM 2235 CB VAL A 126 10.385 0.132 3.634 1.00 0.41 C ATOM 2236 CG1 VAL A 126 11.000 1.081 2.610 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.051 0.314 4.989 1.00 0.47 C ATOM 0 H VAL A 126 8.608 -1.477 4.692 1.00 0.29 H new ATOM 0 HA VAL A 126 8.747 1.383 4.142 1.00 0.34 H new ATOM 0 HB VAL A 126 10.549 -0.891 3.296 1.00 0.41 H new ATOM 0 HG11 VAL A 126 12.072 0.897 2.541 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.539 0.914 1.636 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.829 2.112 2.920 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.123 0.142 4.893 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.877 1.329 5.347 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.631 -0.398 5.699 1.00 0.47 H new ATOM 2247 N MET A 127 7.289 1.154 2.175 1.00 0.38 N ATOM 2248 CA MET A 127 6.486 1.147 0.984 1.00 0.46 C ATOM 2249 C MET A 127 7.172 1.971 -0.093 1.00 0.33 C ATOM 2250 O MET A 127 7.784 2.994 0.197 1.00 0.33 O ATOM 2251 CB MET A 127 5.111 1.699 1.325 1.00 0.65 C ATOM 2252 CG MET A 127 4.162 1.779 0.156 1.00 0.87 C ATOM 2253 SD MET A 127 2.617 2.559 0.623 1.00 1.08 S ATOM 2254 CE MET A 127 1.645 2.230 -0.831 1.00 0.66 C ATOM 0 H MET A 127 7.078 1.919 2.816 1.00 0.38 H new ATOM 0 HA MET A 127 6.368 0.134 0.600 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.664 1.074 2.098 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.229 2.696 1.750 1.00 0.65 H new ATOM 0 HG2 MET A 127 4.626 2.342 -0.654 1.00 0.87 H new ATOM 0 HG3 MET A 127 3.965 0.777 -0.225 1.00 0.87 H new ATOM 0 HE1 MET A 127 0.749 2.851 -0.818 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.232 2.459 -1.720 1.00 0.66 H new ATOM 0 HE3 MET A 127 1.358 1.179 -0.846 1.00 0.66 H new ATOM 2264 N LYS A 128 7.089 1.518 -1.326 1.00 0.33 N ATOM 2265 CA LYS A 128 7.785 2.171 -2.415 1.00 0.35 C ATOM 2266 C LYS A 128 6.823 2.457 -3.553 1.00 0.35 C ATOM 2267 O LYS A 128 5.947 1.646 -3.861 1.00 0.44 O ATOM 2268 CB LYS A 128 8.936 1.298 -2.915 1.00 0.55 C ATOM 2269 CG LYS A 128 9.746 1.944 -4.025 1.00 0.82 C ATOM 2270 CD LYS A 128 10.626 0.931 -4.735 1.00 0.99 C ATOM 2271 CE LYS A 128 11.367 1.566 -5.897 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.107 0.560 -6.699 1.00 2.20 N ATOM 0 H LYS A 128 6.546 0.699 -1.600 1.00 0.33 H new ATOM 0 HA LYS A 128 8.194 3.112 -2.048 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.597 1.068 -2.079 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.534 0.350 -3.273 1.00 0.55 H new ATOM 0 HG2 LYS A 128 9.072 2.410 -4.744 1.00 0.82 H new ATOM 0 HG3 LYS A 128 10.366 2.738 -3.609 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.343 0.510 -4.030 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.014 0.105 -5.098 1.00 0.99 H new ATOM 0 HE2 LYS A 128 10.657 2.090 -6.537 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.065 2.312 -5.518 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 12.599 1.035 -7.483 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 12.802 0.078 -6.095 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 11.438 -0.138 -7.083 1.00 2.20 H new ATOM 2286 N MET A 129 6.975 3.622 -4.150 1.00 0.36 N ATOM 2287 CA MET A 129 6.157 4.031 -5.275 1.00 0.41 C ATOM 2288 C MET A 129 7.060 4.676 -6.316 1.00 0.35 C ATOM 2289 O MET A 129 7.903 5.503 -5.973 1.00 0.40 O ATOM 2290 CB MET A 129 5.086 5.024 -4.799 1.00 0.49 C ATOM 2291 CG MET A 129 4.303 4.536 -3.586 1.00 1.02 C ATOM 2292 SD MET A 129 3.451 5.860 -2.710 1.00 1.11 S ATOM 2293 CE MET A 129 2.248 6.364 -3.932 1.00 0.50 C ATOM 0 H MET A 129 7.670 4.313 -3.869 1.00 0.36 H new ATOM 0 HA MET A 129 5.654 3.170 -5.714 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.564 5.973 -4.556 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.391 5.217 -5.617 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.573 3.794 -3.908 1.00 1.02 H new ATOM 0 HG3 MET A 129 4.985 4.035 -2.899 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.235 7.452 -4.003 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.513 5.940 -4.900 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.260 6.008 -3.639 1.00 0.50 H new ATOM 2303 N SER A 130 6.931 4.287 -7.574 1.00 0.34 N ATOM 2304 CA SER A 130 7.775 4.858 -8.613 1.00 0.33 C ATOM 2305 C SER A 130 6.988 5.150 -9.883 1.00 0.33 C ATOM 2306 O SER A 130 6.286 4.287 -10.416 1.00 0.38 O ATOM 2307 CB SER A 130 8.962 3.939 -8.912 1.00 0.39 C ATOM 2308 OG SER A 130 8.555 2.589 -9.050 1.00 1.06 O ATOM 0 H SER A 130 6.261 3.589 -7.898 1.00 0.34 H new ATOM 0 HA SER A 130 8.156 5.808 -8.239 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.455 4.266 -9.828 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.695 4.018 -8.109 1.00 0.39 H new ATOM 0 HG SER A 130 9.336 2.030 -9.242 1.00 1.06 H new ATOM 2314 N TRP A 131 7.103 6.383 -10.344 1.00 0.32 N ATOM 2315 CA TRP A 131 6.455 6.811 -11.571 1.00 0.34 C ATOM 2316 C TRP A 131 7.319 7.846 -12.271 1.00 0.34 C ATOM 2317 O TRP A 131 7.832 8.763 -11.630 1.00 0.33 O ATOM 2318 CB TRP A 131 5.067 7.385 -11.271 1.00 0.36 C ATOM 2319 CG TRP A 131 4.189 7.467 -12.480 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.898 8.578 -13.211 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.491 6.382 -13.102 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.066 8.253 -14.254 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.802 6.911 -14.209 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.382 5.013 -12.832 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 2.021 6.124 -15.046 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.604 4.235 -13.666 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.935 4.791 -14.762 1.00 0.76 C ATOM 0 H TRP A 131 7.645 7.112 -9.881 1.00 0.32 H new ATOM 0 HA TRP A 131 6.332 5.950 -12.227 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.580 6.766 -10.518 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.178 8.381 -10.842 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.268 9.571 -13.001 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.704 8.906 -14.949 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.896 4.575 -11.989 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.501 6.551 -15.891 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.510 3.177 -13.469 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.338 4.153 -15.397 1.00 0.76 H new ATOM 2338 N LYS A 132 7.481 7.680 -13.577 1.00 0.37 N ATOM 2339 CA LYS A 132 8.350 8.532 -14.386 1.00 0.40 C ATOM 2340 C LYS A 132 9.765 8.570 -13.821 1.00 0.39 C ATOM 2341 O LYS A 132 10.403 9.623 -13.769 1.00 0.42 O ATOM 2342 CB LYS A 132 7.789 9.954 -14.502 1.00 0.44 C ATOM 2343 CG LYS A 132 6.398 10.017 -15.112 1.00 0.68 C ATOM 2344 CD LYS A 132 6.374 9.424 -16.510 1.00 1.22 C ATOM 2345 CE LYS A 132 4.976 9.461 -17.103 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.929 8.835 -18.448 1.00 1.96 N ATOM 0 H LYS A 132 7.012 6.948 -14.110 1.00 0.37 H new ATOM 0 HA LYS A 132 8.388 8.097 -15.385 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.761 10.406 -13.510 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.468 10.554 -15.107 1.00 0.44 H new ATOM 0 HG2 LYS A 132 5.696 9.478 -14.475 1.00 0.68 H new ATOM 0 HG3 LYS A 132 6.063 11.054 -15.150 1.00 0.68 H new ATOM 0 HD2 LYS A 132 7.059 9.977 -17.153 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.730 8.394 -16.476 1.00 1.22 H new ATOM 0 HE2 LYS A 132 4.285 8.943 -16.437 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.638 10.495 -17.172 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.958 8.880 -18.818 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.569 9.344 -19.091 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 5.227 7.841 -18.379 1.00 1.96 H new ATOM 2360 N GLY A 133 10.245 7.413 -13.388 1.00 0.40 N ATOM 2361 CA GLY A 133 11.583 7.316 -12.833 1.00 0.42 C ATOM 2362 C GLY A 133 11.681 7.869 -11.422 1.00 0.40 C ATOM 2363 O GLY A 133 12.719 7.736 -10.771 1.00 0.53 O ATOM 0 H GLY A 133 9.729 6.533 -13.411 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.895 6.272 -12.831 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.278 7.854 -13.478 1.00 0.42 H new ATOM 2367 N VAL A 134 10.609 8.483 -10.944 1.00 0.35 N ATOM 2368 CA VAL A 134 10.600 9.063 -9.612 1.00 0.34 C ATOM 2369 C VAL A 134 10.235 8.013 -8.580 1.00 0.36 C ATOM 2370 O VAL A 134 9.079 7.600 -8.484 1.00 0.40 O ATOM 2371 CB VAL A 134 9.610 10.241 -9.488 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.743 10.903 -8.126 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.826 11.252 -10.600 1.00 0.43 C ATOM 0 H VAL A 134 9.735 8.592 -11.459 1.00 0.35 H new ATOM 0 HA VAL A 134 11.607 9.440 -9.433 1.00 0.34 H new ATOM 0 HB VAL A 134 8.598 9.848 -9.585 1.00 0.38 H new ATOM 0 HG11 VAL A 134 9.039 11.732 -8.054 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.527 10.174 -7.345 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.759 11.278 -8.002 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.116 12.072 -10.490 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.842 11.642 -10.545 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.675 10.769 -11.565 1.00 0.43 H new ATOM 2383 N SER A 135 11.224 7.563 -7.828 1.00 0.38 N ATOM 2384 CA SER A 135 10.989 6.608 -6.772 1.00 0.42 C ATOM 2385 C SER A 135 10.897 7.303 -5.429 1.00 0.40 C ATOM 2386 O SER A 135 11.806 8.024 -5.017 1.00 0.51 O ATOM 2387 CB SER A 135 12.092 5.563 -6.749 1.00 0.50 C ATOM 2388 OG SER A 135 13.198 5.967 -7.539 1.00 1.14 O ATOM 0 H SER A 135 12.198 7.847 -7.933 1.00 0.38 H new ATOM 0 HA SER A 135 10.039 6.111 -6.967 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.417 5.396 -5.722 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.705 4.614 -7.119 1.00 0.50 H new ATOM 0 HG SER A 135 13.893 5.277 -7.505 1.00 1.14 H new ATOM 2394 N THR A 136 9.796 7.073 -4.759 1.00 0.35 N ATOM 2395 CA THR A 136 9.550 7.658 -3.457 1.00 0.34 C ATOM 2396 C THR A 136 9.461 6.562 -2.405 1.00 0.31 C ATOM 2397 O THR A 136 8.867 5.504 -2.647 1.00 0.34 O ATOM 2398 CB THR A 136 8.260 8.520 -3.454 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.974 8.994 -2.135 1.00 0.40 O ATOM 2400 CG2 THR A 136 7.065 7.740 -3.973 1.00 0.39 C ATOM 0 H THR A 136 9.042 6.475 -5.098 1.00 0.35 H new ATOM 0 HA THR A 136 10.385 8.317 -3.219 1.00 0.34 H new ATOM 0 HB THR A 136 8.438 9.366 -4.117 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.687 9.600 -1.844 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.180 8.376 -3.956 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.259 7.415 -4.995 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.897 6.868 -3.341 1.00 0.39 H new ATOM 2408 N SER A 137 10.082 6.791 -1.261 1.00 0.33 N ATOM 2409 CA SER A 137 10.014 5.844 -0.169 1.00 0.32 C ATOM 2410 C SER A 137 9.007 6.316 0.869 1.00 0.31 C ATOM 2411 O SER A 137 9.119 7.408 1.429 1.00 0.40 O ATOM 2412 CB SER A 137 11.395 5.622 0.457 1.00 0.39 C ATOM 2413 OG SER A 137 12.113 6.839 0.588 1.00 0.79 O ATOM 0 H SER A 137 10.638 7.624 -1.067 1.00 0.33 H new ATOM 0 HA SER A 137 9.679 4.884 -0.563 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.280 5.160 1.437 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.966 4.927 -0.158 1.00 0.39 H new ATOM 0 HG SER A 137 12.293 7.012 1.536 1.00 0.79 H new ATOM 2419 N ARG A 138 8.010 5.489 1.091 1.00 0.35 N ATOM 2420 CA ARG A 138 6.933 5.793 2.007 1.00 0.44 C ATOM 2421 C ARG A 138 7.134 4.980 3.286 1.00 0.39 C ATOM 2422 O ARG A 138 6.769 3.807 3.355 1.00 0.43 O ATOM 2423 CB ARG A 138 5.609 5.450 1.324 1.00 0.63 C ATOM 2424 CG ARG A 138 4.370 5.994 2.009 1.00 1.08 C ATOM 2425 CD ARG A 138 4.205 7.485 1.781 1.00 0.88 C ATOM 2426 NE ARG A 138 2.814 7.898 1.955 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.432 9.123 2.306 1.00 1.07 C ATOM 2428 NH1 ARG A 138 3.339 10.066 2.519 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.144 9.404 2.442 1.00 1.63 N ATOM 0 H ARG A 138 7.923 4.579 0.638 1.00 0.35 H new ATOM 0 HA ARG A 138 6.922 6.850 2.273 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.636 5.829 0.303 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.522 4.365 1.259 1.00 0.63 H new ATOM 0 HG2 ARG A 138 3.490 5.470 1.636 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.430 5.795 3.079 1.00 1.08 H new ATOM 0 HD2 ARG A 138 4.839 8.034 2.477 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.539 7.741 0.776 1.00 0.88 H new ATOM 0 HE ARG A 138 2.087 7.200 1.797 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.331 9.853 2.414 1.00 1.84 H new ATOM 0 HH12 ARG A 138 3.045 11.005 2.788 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.444 8.681 2.278 1.00 1.63 H new ATOM 0 HH22 ARG A 138 0.853 10.344 2.711 1.00 1.63 H new ATOM 2443 N TYR A 139 7.745 5.605 4.284 1.00 0.39 N ATOM 2444 CA TYR A 139 8.146 4.907 5.497 1.00 0.36 C ATOM 2445 C TYR A 139 7.010 4.822 6.502 1.00 0.34 C ATOM 2446 O TYR A 139 6.639 5.813 7.139 1.00 0.39 O ATOM 2447 CB TYR A 139 9.354 5.591 6.136 1.00 0.42 C ATOM 2448 CG TYR A 139 10.620 5.448 5.325 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.113 6.520 4.594 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.323 4.251 5.294 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.274 6.404 3.857 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.485 4.128 4.556 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.943 5.161 3.829 1.00 0.56 C ATOM 2454 OH TYR A 139 14.117 5.096 3.109 1.00 0.64 O ATOM 0 H TYR A 139 7.974 6.599 4.276 1.00 0.39 H new ATOM 0 HA TYR A 139 8.417 3.891 5.210 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.134 6.650 6.270 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.517 5.171 7.129 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.580 7.459 4.602 1.00 0.46 H new ATOM 0 HD2 TYR A 139 10.956 3.404 5.855 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.664 7.250 3.311 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.029 3.195 4.564 1.00 0.56 H new ATOM 0 HH TYR A 139 14.486 4.190 3.165 1.00 0.64 H new ATOM 2464 N TYR A 140 6.481 3.623 6.651 1.00 0.29 N ATOM 2465 CA TYR A 140 5.417 3.371 7.598 1.00 0.27 C ATOM 2466 C TYR A 140 5.981 2.818 8.895 1.00 0.29 C ATOM 2467 O TYR A 140 6.741 1.854 8.893 1.00 0.37 O ATOM 2468 CB TYR A 140 4.395 2.399 7.012 1.00 0.27 C ATOM 2469 CG TYR A 140 3.439 3.039 6.036 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.226 3.565 6.458 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.754 3.115 4.688 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.355 4.146 5.558 1.00 0.48 C ATOM 2473 CE2 TYR A 140 2.890 3.691 3.788 1.00 0.52 C ATOM 2474 CZ TYR A 140 1.672 4.230 4.263 1.00 0.48 C ATOM 2475 OH TYR A 140 0.842 4.783 3.320 1.00 0.60 O ATOM 0 H TYR A 140 6.776 2.802 6.122 1.00 0.29 H new ATOM 0 HA TYR A 140 4.916 4.316 7.809 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.924 1.588 6.510 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.824 1.952 7.826 1.00 0.27 H new ATOM 0 HD1 TYR A 140 1.960 3.519 7.504 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.695 2.715 4.339 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.409 4.536 5.904 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.137 3.731 2.737 1.00 0.52 H new ATOM 0 HH TYR A 140 1.375 5.103 2.563 1.00 0.60 H new ATOM 2485 N LYS A 141 5.603 3.435 9.994 1.00 0.37 N ATOM 2486 CA LYS A 141 6.015 3.007 11.303 1.00 0.48 C ATOM 2487 C LYS A 141 4.844 2.282 11.926 1.00 0.45 C ATOM 2488 O LYS A 141 3.772 2.837 11.960 1.00 0.54 O ATOM 2489 CB LYS A 141 6.399 4.235 12.131 1.00 0.69 C ATOM 2490 CG LYS A 141 6.543 3.955 13.609 1.00 0.72 C ATOM 2491 CD LYS A 141 7.541 2.848 13.859 1.00 0.97 C ATOM 2492 CE LYS A 141 8.968 3.305 13.637 1.00 1.45 C ATOM 2493 NZ LYS A 141 9.368 4.398 14.563 1.00 1.92 N ATOM 0 H LYS A 141 4.996 4.254 9.998 1.00 0.37 H new ATOM 0 HA LYS A 141 6.880 2.345 11.257 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.340 4.636 11.754 1.00 0.69 H new ATOM 0 HB3 LYS A 141 5.643 5.008 11.989 1.00 0.69 H new ATOM 0 HG2 LYS A 141 6.863 4.861 14.124 1.00 0.72 H new ATOM 0 HG3 LYS A 141 5.575 3.677 14.025 1.00 0.72 H new ATOM 0 HD2 LYS A 141 7.432 2.486 14.881 1.00 0.97 H new ATOM 0 HD3 LYS A 141 7.323 2.008 13.199 1.00 0.97 H new ATOM 0 HE2 LYS A 141 9.642 2.458 13.768 1.00 1.45 H new ATOM 0 HE3 LYS A 141 9.081 3.646 12.608 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 10.406 4.445 14.616 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 8.998 5.304 14.211 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.981 4.210 15.510 1.00 1.92 H new ATOM 2507 N LYS A 142 5.062 1.059 12.406 1.00 0.44 N ATOM 2508 CA LYS A 142 3.979 0.168 12.866 1.00 0.43 C ATOM 2509 C LYS A 142 2.966 0.861 13.809 1.00 0.36 C ATOM 2510 O LYS A 142 3.149 2.002 14.216 1.00 0.34 O ATOM 2511 CB LYS A 142 4.600 -1.054 13.557 1.00 0.54 C ATOM 2512 CG LYS A 142 3.639 -2.216 13.755 1.00 0.87 C ATOM 2513 CD LYS A 142 4.364 -3.449 14.269 1.00 1.30 C ATOM 2514 CE LYS A 142 3.441 -4.656 14.357 1.00 1.43 C ATOM 2515 NZ LYS A 142 4.174 -5.878 14.783 1.00 2.13 N ATOM 0 H LYS A 142 5.993 0.650 12.490 1.00 0.44 H new ATOM 0 HA LYS A 142 3.410 -0.132 11.986 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.450 -1.397 12.967 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.988 -0.749 14.529 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.859 -1.930 14.460 1.00 0.87 H new ATOM 0 HG3 LYS A 142 3.146 -2.448 12.811 1.00 0.87 H new ATOM 0 HD2 LYS A 142 5.201 -3.679 13.609 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.783 -3.240 15.253 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.637 -4.449 15.063 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.976 -4.830 13.387 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 3.513 -6.680 14.832 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 4.925 -6.090 14.096 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 4.597 -5.720 15.720 1.00 2.13 H new ATOM 2529 N GLN A 143 1.834 0.211 14.059 1.00 0.44 N ATOM 2530 CA GLN A 143 0.950 0.615 15.148 1.00 0.53 C ATOM 2531 C GLN A 143 1.494 0.105 16.477 1.00 0.68 C ATOM 2532 O GLN A 143 2.143 0.887 17.201 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.469 0.077 14.929 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.186 0.658 13.721 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.888 1.971 14.007 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.371 2.737 14.949 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -2.899 2.287 13.389 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 1.292 -1.089 16.782 1.00 1.19 O ATOM 0 H GLN A 143 1.508 -0.594 13.525 1.00 0.44 H new ATOM 0 HA GLN A 143 0.908 1.704 15.167 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.420 -1.006 14.820 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -1.062 0.281 15.820 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.464 0.809 12.918 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.918 -0.065 13.361 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -3.270 1.669 12.667 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -3.369 3.168 13.597 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 0.388 5.491 0.323 1.00 0.86 C HETATM 2549 O1 OLA A1001 1.329 5.849 1.064 1.00 1.40 O HETATM 2550 O2 OLA A1001 -0.399 4.577 0.633 1.00 1.48 O HETATM 2551 C2 OLA A1001 0.192 6.193 -1.005 1.00 0.78 C HETATM 2552 C3 OLA A1001 0.093 7.699 -0.861 1.00 1.13 C HETATM 2553 C4 OLA A1001 -0.979 8.101 0.133 1.00 1.05 C HETATM 2554 C5 OLA A1001 -1.194 9.602 0.118 1.00 1.15 C HETATM 2555 C6 OLA A1001 -2.182 10.053 1.181 1.00 1.18 C HETATM 2556 C7 OLA A1001 -3.494 9.287 1.108 1.00 1.02 C HETATM 2557 C8 OLA A1001 -4.157 9.400 -0.261 1.00 0.99 C HETATM 2558 C9 OLA A1001 -4.608 10.771 -0.663 1.00 0.72 C HETATM 2559 C10 OLA A1001 -5.476 11.011 -1.596 1.00 0.75 C HETATM 2560 C11 OLA A1001 -6.172 9.956 -2.398 1.00 0.92 C HETATM 2561 C12 OLA A1001 -6.884 10.457 -3.639 1.00 0.77 C HETATM 2562 C13 OLA A1001 -5.913 11.029 -4.661 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.438 9.987 -5.671 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.395 9.026 -5.112 1.00 0.70 C HETATM 2565 C16 OLA A1001 -3.109 9.747 -4.724 1.00 0.59 C HETATM 2566 C17 OLA A1001 -1.981 8.775 -4.454 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.689 9.458 -4.072 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.372 10.115 -4.882 1.00 0.40 H new HETATM 0 H182 OLA A1001 -0.842 10.046 -3.167 1.00 0.40 H new HETATM 0 H181 OLA A1001 0.080 8.707 -3.891 1.00 0.40 H new HETATM 0 H172 OLA A1001 -2.277 8.097 -3.653 1.00 0.57 H new HETATM 0 H171 OLA A1001 -1.814 8.166 -5.342 1.00 0.57 H new HETATM 0 H162 OLA A1001 -2.818 10.428 -5.524 1.00 0.59 H new HETATM 0 H161 OLA A1001 -3.286 10.354 -3.836 1.00 0.59 H new HETATM 0 H152 OLA A1001 -4.802 8.515 -4.240 1.00 0.70 H new HETATM 0 H151 OLA A1001 -4.172 8.260 -5.855 1.00 0.70 H new HETATM 0 H142 OLA A1001 -6.297 9.414 -6.021 1.00 0.88 H new HETATM 0 H141 OLA A1001 -5.021 10.498 -6.539 1.00 0.88 H new HETATM 0 H132 OLA A1001 -6.393 11.851 -5.192 1.00 0.76 H new HETATM 0 H131 OLA A1001 -5.050 11.446 -4.142 1.00 0.76 H new HETATM 0 H122 OLA A1001 -7.445 9.639 -4.090 1.00 0.77 H new HETATM 0 H121 OLA A1001 -7.607 11.223 -3.358 1.00 0.77 H new HETATM 0 H112 OLA A1001 -5.440 9.206 -2.696 1.00 0.92 H new HETATM 0 H111 OLA A1001 -6.899 9.455 -1.758 1.00 0.92 H new HETATM 0 H9 OLA A1001 -4.178 11.623 -0.136 1.00 0.72 H new HETATM 0 H82 OLA A1001 -3.457 9.035 -1.013 1.00 0.99 H new HETATM 0 H81 OLA A1001 -5.021 8.735 -0.280 1.00 0.99 H new HETATM 0 H72 OLA A1001 -3.312 8.237 1.335 1.00 1.02 H new HETATM 0 H71 OLA A1001 -4.175 9.664 1.871 1.00 1.02 H new HETATM 0 H62 OLA A1001 -1.739 9.918 2.168 1.00 1.18 H new HETATM 0 H61 OLA A1001 -2.378 11.119 1.063 1.00 1.18 H new HETATM 0 H52 OLA A1001 -0.240 10.105 0.275 1.00 1.15 H new HETATM 0 H51 OLA A1001 -1.557 9.905 -0.864 1.00 1.15 H new HETATM 0 H42 OLA A1001 -1.913 7.593 -0.108 1.00 1.05 H new HETATM 0 H41 OLA A1001 -0.691 7.781 1.134 1.00 1.05 H new HETATM 0 H32 OLA A1001 1.055 8.097 -0.539 1.00 1.13 H new HETATM 0 H31 OLA A1001 -0.127 8.143 -1.832 1.00 1.13 H new HETATM 0 H22 OLA A1001 1.023 5.949 -1.667 1.00 0.78 H new HETATM 0 H21 OLA A1001 -0.714 5.817 -1.480 1.00 0.78 H new HETATM 0 H10 OLA A1001 -5.715 12.052 -1.811 1.00 0.75 H new