USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 160:sc= 0.886 USER MOD Set 1.2: A 111 ASN : amide:sc= 0.328 K(o=1.2,f=-8!) USER MOD Single : A 1 ALA N :NH3+ 174:sc= 1.32 (180deg=1.16) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -143:sc= 1.21 (180deg=0.624) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -3.11! C(o=-3.1!,f=-8.1!) USER MOD Single : A 14 THR OG1 : rot 85:sc= 1.36 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.9 K(o=0.9,f=-6.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= -3.91! USER MOD Single : A 24 HIS : no HE2:sc= -3.57! C(o=-3.6!,f=-5.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.568 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.55 K(o=0.55,f=-0.24) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= -0.833 (180deg=-2.87!) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0429 (180deg=-0.308) USER MOD Single : A 52 THR OG1 : rot 4:sc= 0.961 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.421 K(o=0.42,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.09) USER MOD Single : A 66 ASN : amide:sc= -0.248 K(o=-0.25,f=-3.1!) USER MOD Single : A 67 MET CE :methyl 172:sc= 0 (180deg=-0.0708) USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= 0.978 (180deg=0.666) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0334) USER MOD Single : A 82 HIS : no HD1:sc= -4.79! C(o=-4.8!,f=-11!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot -160:sc= -0.16 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 173:sc= 0 (180deg=-0.0982) USER MOD Single : A 99 TYR OH : rot 29:sc= 0.306 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0413 (180deg=-0.252) USER MOD Single : A 102 MET CE :methyl 165:sc= -0.0882 (180deg=-0.399) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 26:sc= 0.588 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.623 2.027 -5.326 1.00 6.29 N ATOM 2 CA ALA A 1 16.448 2.832 -4.101 1.00 5.64 C ATOM 3 C ALA A 1 17.306 2.285 -2.973 1.00 5.66 C ATOM 4 O ALA A 1 16.868 1.422 -2.215 1.00 5.80 O ATOM 5 CB ALA A 1 14.987 2.862 -3.680 1.00 5.37 C ATOM 0 H1 ALA A 1 15.955 2.352 -6.054 1.00 6.29 H new ATOM 0 H2 ALA A 1 17.596 2.135 -5.676 1.00 6.29 H new ATOM 0 H3 ALA A 1 16.441 1.026 -5.112 1.00 6.29 H new ATOM 0 HA ALA A 1 16.767 3.851 -4.319 1.00 5.64 H new ATOM 0 HB1 ALA A 1 14.881 3.461 -2.775 1.00 5.37 H new ATOM 0 HB2 ALA A 1 14.387 3.301 -4.478 1.00 5.37 H new ATOM 0 HB3 ALA A 1 14.644 1.846 -3.485 1.00 5.37 H new ATOM 13 N MET A 2 18.535 2.775 -2.880 1.00 5.85 N ATOM 14 CA MET A 2 19.418 2.409 -1.784 1.00 6.17 C ATOM 15 C MET A 2 18.894 3.007 -0.489 1.00 5.91 C ATOM 16 O MET A 2 19.054 4.201 -0.235 1.00 6.19 O ATOM 17 CB MET A 2 20.846 2.892 -2.046 1.00 6.73 C ATOM 18 CG MET A 2 21.528 2.189 -3.207 1.00 7.38 C ATOM 19 SD MET A 2 21.673 0.410 -2.949 1.00 8.14 S ATOM 20 CE MET A 2 22.516 -0.084 -4.450 1.00 8.79 C ATOM 0 H MET A 2 18.942 3.427 -3.551 1.00 5.85 H new ATOM 0 HA MET A 2 19.439 1.322 -1.702 1.00 6.17 H new ATOM 0 HB2 MET A 2 20.827 3.964 -2.243 1.00 6.73 H new ATOM 0 HB3 MET A 2 21.441 2.745 -1.144 1.00 6.73 H new ATOM 0 HG2 MET A 2 20.965 2.375 -4.122 1.00 7.38 H new ATOM 0 HG3 MET A 2 22.521 2.614 -3.352 1.00 7.38 H new ATOM 0 HE1 MET A 2 22.678 -1.162 -4.439 1.00 8.79 H new ATOM 0 HE2 MET A 2 21.907 0.182 -5.314 1.00 8.79 H new ATOM 0 HE3 MET A 2 23.477 0.426 -4.512 1.00 8.79 H new ATOM 30 N GLY A 3 18.249 2.177 0.312 1.00 5.74 N ATOM 31 CA GLY A 3 17.632 2.651 1.528 1.00 5.81 C ATOM 32 C GLY A 3 18.621 3.012 2.596 1.00 5.28 C ATOM 33 O GLY A 3 19.811 2.717 2.494 1.00 5.54 O ATOM 0 H GLY A 3 18.142 1.177 0.140 1.00 5.74 H new ATOM 0 HA2 GLY A 3 17.020 3.524 1.300 1.00 5.81 H new ATOM 0 HA3 GLY A 3 16.961 1.882 1.910 1.00 5.81 H new ATOM 37 N CYS A 4 18.114 3.665 3.619 1.00 4.84 N ATOM 38 CA CYS A 4 18.892 3.917 4.804 1.00 4.49 C ATOM 39 C CYS A 4 18.045 3.553 6.007 1.00 4.00 C ATOM 40 O CYS A 4 18.461 3.620 7.165 1.00 4.30 O ATOM 41 CB CYS A 4 19.459 5.358 4.873 1.00 4.71 C ATOM 42 SG CYS A 4 18.430 6.606 5.738 1.00 5.14 S ATOM 0 H CYS A 4 17.162 4.031 3.650 1.00 4.84 H new ATOM 0 HA CYS A 4 19.784 3.291 4.785 1.00 4.49 H new ATOM 0 HB2 CYS A 4 20.431 5.318 5.365 1.00 4.71 H new ATOM 0 HB3 CYS A 4 19.631 5.705 3.854 1.00 4.71 H new ATOM 47 N LYS A 5 16.838 3.152 5.669 1.00 3.56 N ATOM 48 CA LYS A 5 15.900 2.530 6.586 1.00 3.21 C ATOM 49 C LYS A 5 15.014 1.594 5.804 1.00 2.60 C ATOM 50 O LYS A 5 14.855 1.762 4.591 1.00 2.48 O ATOM 51 CB LYS A 5 15.002 3.519 7.279 1.00 3.31 C ATOM 52 CG LYS A 5 14.389 2.957 8.560 1.00 3.91 C ATOM 53 CD LYS A 5 13.274 3.830 9.112 1.00 4.47 C ATOM 54 CE LYS A 5 12.510 3.113 10.217 1.00 5.34 C ATOM 55 NZ LYS A 5 11.328 3.890 10.681 1.00 5.99 N ATOM 0 H LYS A 5 16.470 3.251 4.723 1.00 3.56 H new ATOM 0 HA LYS A 5 16.492 2.019 7.345 1.00 3.21 H new ATOM 0 HB2 LYS A 5 15.572 4.417 7.517 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.204 3.818 6.599 1.00 3.31 H new ATOM 0 HG2 LYS A 5 13.999 1.959 8.363 1.00 3.91 H new ATOM 0 HG3 LYS A 5 15.169 2.851 9.314 1.00 3.91 H new ATOM 0 HD2 LYS A 5 13.693 4.758 9.499 1.00 4.47 H new ATOM 0 HD3 LYS A 5 12.589 4.101 8.309 1.00 4.47 H new ATOM 0 HE2 LYS A 5 12.182 2.138 9.856 1.00 5.34 H new ATOM 0 HE3 LYS A 5 13.178 2.933 11.060 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 11.217 3.773 11.708 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 11.466 4.897 10.460 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 10.474 3.543 10.199 1.00 5.99 H new ATOM 69 N GLU A 6 14.467 0.605 6.478 1.00 2.54 N ATOM 70 CA GLU A 6 13.373 -0.158 5.930 1.00 2.10 C ATOM 71 C GLU A 6 12.172 0.763 5.749 1.00 1.84 C ATOM 72 O GLU A 6 11.679 1.347 6.717 1.00 2.27 O ATOM 73 CB GLU A 6 13.021 -1.306 6.864 1.00 2.49 C ATOM 74 CG GLU A 6 14.196 -2.208 7.158 1.00 2.96 C ATOM 75 CD GLU A 6 13.819 -3.385 8.037 1.00 3.57 C ATOM 76 OE1 GLU A 6 13.271 -4.375 7.507 1.00 4.01 O ATOM 77 OE2 GLU A 6 14.080 -3.337 9.259 1.00 3.94 O ATOM 0 H GLU A 6 14.765 0.312 7.409 1.00 2.54 H new ATOM 0 HA GLU A 6 13.660 -0.576 4.965 1.00 2.10 H new ATOM 0 HB2 GLU A 6 12.638 -0.901 7.800 1.00 2.49 H new ATOM 0 HB3 GLU A 6 12.219 -1.896 6.420 1.00 2.49 H new ATOM 0 HG2 GLU A 6 14.610 -2.577 6.220 1.00 2.96 H new ATOM 0 HG3 GLU A 6 14.980 -1.630 7.647 1.00 2.96 H new ATOM 84 N ILE A 7 11.718 0.899 4.517 1.00 1.34 N ATOM 85 CA ILE A 7 10.637 1.822 4.198 1.00 1.10 C ATOM 86 C ILE A 7 9.309 1.221 4.633 1.00 0.99 C ATOM 87 O ILE A 7 9.158 -0.003 4.650 1.00 1.30 O ATOM 88 CB ILE A 7 10.624 2.147 2.688 1.00 1.29 C ATOM 89 CG1 ILE A 7 11.903 2.821 2.259 1.00 1.73 C ATOM 90 CG2 ILE A 7 9.472 3.020 2.297 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.405 3.822 3.255 1.00 2.00 C ATOM 0 H ILE A 7 12.080 0.382 3.716 1.00 1.34 H new ATOM 0 HA ILE A 7 10.796 2.756 4.737 1.00 1.10 H new ATOM 0 HB ILE A 7 10.522 1.187 2.182 1.00 1.29 H new ATOM 0 HG12 ILE A 7 12.669 2.063 2.098 1.00 1.73 H new ATOM 0 HG13 ILE A 7 11.741 3.319 1.303 1.00 1.73 H new ATOM 0 HG21 ILE A 7 9.512 3.217 1.226 1.00 1.29 H new ATOM 0 HG22 ILE A 7 8.536 2.517 2.539 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.529 3.963 2.841 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.327 4.271 2.887 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.655 4.600 3.399 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.598 3.324 4.205 1.00 2.00 H new ATOM 103 N GLU A 8 8.340 2.056 4.992 1.00 0.87 N ATOM 104 CA GLU A 8 7.173 1.530 5.670 1.00 0.93 C ATOM 105 C GLU A 8 5.934 1.617 4.796 1.00 0.86 C ATOM 106 O GLU A 8 5.589 2.686 4.285 1.00 1.29 O ATOM 107 CB GLU A 8 6.972 2.229 7.018 1.00 1.41 C ATOM 108 CG GLU A 8 8.163 2.055 7.956 1.00 1.71 C ATOM 109 CD GLU A 8 7.995 2.759 9.287 1.00 2.31 C ATOM 110 OE1 GLU A 8 7.083 2.386 10.053 1.00 2.70 O ATOM 111 OE2 GLU A 8 8.795 3.675 9.590 1.00 2.71 O ATOM 0 H GLU A 8 8.340 3.063 4.830 1.00 0.87 H new ATOM 0 HA GLU A 8 7.344 0.472 5.867 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.800 3.292 6.849 1.00 1.41 H new ATOM 0 HB3 GLU A 8 6.077 1.834 7.497 1.00 1.41 H new ATOM 0 HG2 GLU A 8 8.322 0.992 8.135 1.00 1.71 H new ATOM 0 HG3 GLU A 8 9.060 2.433 7.465 1.00 1.71 H new ATOM 118 N ILE A 9 5.288 0.466 4.614 1.00 0.65 N ATOM 119 CA ILE A 9 4.096 0.367 3.784 1.00 0.68 C ATOM 120 C ILE A 9 2.891 0.792 4.595 1.00 0.53 C ATOM 121 O ILE A 9 2.697 0.314 5.702 1.00 0.68 O ATOM 122 CB ILE A 9 3.804 -1.077 3.297 1.00 0.91 C ATOM 123 CG1 ILE A 9 5.038 -1.930 3.139 1.00 0.93 C ATOM 124 CG2 ILE A 9 3.060 -1.062 1.994 1.00 1.34 C ATOM 125 CD1 ILE A 9 6.036 -1.314 2.233 1.00 1.21 C ATOM 0 H ILE A 9 5.576 -0.417 5.036 1.00 0.65 H new ATOM 0 HA ILE A 9 4.277 1.003 2.918 1.00 0.68 H new ATOM 0 HB ILE A 9 3.195 -1.524 4.083 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.491 -2.094 4.117 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.754 -2.908 2.751 1.00 0.93 H new ATOM 0 HG21 ILE A 9 2.867 -2.086 1.673 1.00 1.34 H new ATOM 0 HG22 ILE A 9 2.113 -0.537 2.122 1.00 1.34 H new ATOM 0 HG23 ILE A 9 3.659 -0.552 1.239 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.906 -1.966 2.152 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.594 -1.174 1.246 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.343 -0.348 2.633 1.00 1.21 H new ATOM 137 N VAL A 10 2.083 1.677 4.070 1.00 0.51 N ATOM 138 CA VAL A 10 0.858 2.029 4.742 1.00 0.46 C ATOM 139 C VAL A 10 -0.328 1.944 3.802 1.00 0.41 C ATOM 140 O VAL A 10 -0.297 2.435 2.676 1.00 0.44 O ATOM 141 CB VAL A 10 0.934 3.418 5.418 1.00 0.61 C ATOM 142 CG1 VAL A 10 2.090 4.246 4.872 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.399 4.160 5.307 1.00 0.77 C ATOM 0 H VAL A 10 2.248 2.163 3.188 1.00 0.51 H new ATOM 0 HA VAL A 10 0.715 1.297 5.537 1.00 0.46 H new ATOM 0 HB VAL A 10 1.131 3.259 6.478 1.00 0.61 H new ATOM 0 HG11 VAL A 10 2.111 5.215 5.371 1.00 0.92 H new ATOM 0 HG12 VAL A 10 3.029 3.724 5.054 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.958 4.393 3.800 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.315 5.133 5.791 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.652 4.298 4.256 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.181 3.578 5.795 1.00 0.77 H new ATOM 153 N ILE A 11 -1.353 1.269 4.269 1.00 0.40 N ATOM 154 CA ILE A 11 -2.620 1.251 3.602 1.00 0.40 C ATOM 155 C ILE A 11 -3.594 2.056 4.425 1.00 0.44 C ATOM 156 O ILE A 11 -3.823 1.760 5.596 1.00 0.50 O ATOM 157 CB ILE A 11 -3.147 -0.186 3.399 1.00 0.47 C ATOM 158 CG1 ILE A 11 -2.375 -0.882 2.289 1.00 0.58 C ATOM 159 CG2 ILE A 11 -4.644 -0.193 3.117 1.00 0.53 C ATOM 160 CD1 ILE A 11 -2.230 -0.029 1.075 1.00 0.59 C ATOM 0 H ILE A 11 -1.324 0.717 5.126 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.504 1.685 2.609 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.989 -0.739 4.325 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -1.386 -1.158 2.656 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -2.885 -1.807 2.021 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -4.983 -1.220 2.979 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -5.175 0.255 3.957 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -4.847 0.381 2.213 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -1.671 -0.573 0.313 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -3.217 0.225 0.689 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -1.695 0.885 1.334 1.00 0.59 H new ATOM 172 N LYS A 12 -4.097 3.110 3.836 1.00 0.46 N ATOM 173 CA LYS A 12 -5.083 3.937 4.480 1.00 0.52 C ATOM 174 C LYS A 12 -6.449 3.526 3.964 1.00 0.50 C ATOM 175 O LYS A 12 -6.538 2.859 2.943 1.00 0.62 O ATOM 176 CB LYS A 12 -4.797 5.397 4.152 1.00 0.55 C ATOM 177 CG LYS A 12 -5.125 6.354 5.271 1.00 0.72 C ATOM 178 CD LYS A 12 -4.767 7.777 4.880 1.00 1.32 C ATOM 179 CE LYS A 12 -5.101 8.766 5.980 1.00 1.65 C ATOM 180 NZ LYS A 12 -4.719 10.153 5.612 1.00 2.08 N ATOM 0 H LYS A 12 -3.835 3.418 2.899 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.053 3.815 5.563 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -3.743 5.501 3.896 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.369 5.679 3.268 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.187 6.293 5.509 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.579 6.070 6.171 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -3.703 7.834 4.651 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.303 8.050 3.971 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -6.170 8.728 6.191 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -4.585 8.478 6.896 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -4.964 10.798 6.390 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -3.695 10.196 5.436 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -5.230 10.437 4.752 1.00 2.08 H new ATOM 194 N ASN A 13 -7.496 3.886 4.666 1.00 0.55 N ATOM 195 CA ASN A 13 -8.849 3.610 4.204 1.00 0.59 C ATOM 196 C ASN A 13 -9.767 4.678 4.749 1.00 0.58 C ATOM 197 O ASN A 13 -9.840 4.849 5.965 1.00 0.95 O ATOM 198 CB ASN A 13 -9.299 2.229 4.678 1.00 1.01 C ATOM 199 CG ASN A 13 -10.558 1.757 3.985 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.416 2.548 3.604 1.00 2.81 O ATOM 201 ND2 ASN A 13 -10.666 0.456 3.804 1.00 2.71 N ATOM 0 H ASN A 13 -7.445 4.372 5.561 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.878 3.618 3.114 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -8.500 1.510 4.500 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.470 2.256 5.754 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -11.485 0.073 3.332 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -9.930 -0.168 4.136 1.00 2.71 H new ATOM 208 N THR A 14 -10.434 5.444 3.883 1.00 0.47 N ATOM 209 CA THR A 14 -11.172 6.589 4.401 1.00 0.74 C ATOM 210 C THR A 14 -12.048 7.363 3.409 1.00 0.54 C ATOM 211 O THR A 14 -11.553 8.091 2.566 1.00 0.70 O ATOM 212 CB THR A 14 -10.173 7.568 5.044 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.768 8.849 5.284 1.00 1.79 O ATOM 214 CG2 THR A 14 -8.980 7.708 4.136 1.00 1.78 C ATOM 0 H THR A 14 -10.478 5.302 2.874 1.00 0.47 H new ATOM 0 HA THR A 14 -11.880 6.159 5.110 1.00 0.74 H new ATOM 0 HB THR A 14 -9.865 7.170 6.011 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.241 8.834 6.142 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.264 8.399 4.580 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.509 6.734 4.002 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.302 8.092 3.168 1.00 1.78 H new ATOM 222 N LEU A 15 -13.362 7.179 3.491 1.00 0.49 N ATOM 223 CA LEU A 15 -14.268 8.269 3.167 1.00 0.68 C ATOM 224 C LEU A 15 -14.706 8.931 4.458 1.00 0.84 C ATOM 225 O LEU A 15 -14.520 10.126 4.686 1.00 1.18 O ATOM 226 CB LEU A 15 -15.541 7.852 2.438 1.00 0.88 C ATOM 227 CG LEU A 15 -15.339 7.300 1.064 1.00 0.97 C ATOM 228 CD1 LEU A 15 -14.542 6.066 1.171 1.00 0.90 C ATOM 229 CD2 LEU A 15 -16.659 7.069 0.352 1.00 1.39 C ATOM 0 H LEU A 15 -13.812 6.308 3.772 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.708 8.925 2.500 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -16.056 7.104 3.040 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -16.201 8.717 2.371 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.798 8.024 0.454 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -14.384 5.648 0.177 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -13.578 6.294 1.626 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -15.073 5.342 1.789 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -16.470 6.667 -0.644 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -17.260 6.360 0.921 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -17.196 8.013 0.266 1.00 1.39 H new ATOM 241 N GLY A 16 -15.277 8.087 5.299 1.00 0.72 N ATOM 242 CA GLY A 16 -15.868 8.489 6.547 1.00 0.87 C ATOM 243 C GLY A 16 -16.410 7.267 7.251 1.00 0.77 C ATOM 244 O GLY A 16 -16.023 6.166 6.875 1.00 1.27 O ATOM 0 H GLY A 16 -15.340 7.084 5.123 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.126 8.986 7.172 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.668 9.208 6.370 1.00 0.87 H new ATOM 248 N PRO A 17 -17.319 7.421 8.234 1.00 0.67 N ATOM 249 CA PRO A 17 -17.790 6.336 9.110 1.00 0.76 C ATOM 250 C PRO A 17 -17.755 4.936 8.480 1.00 0.88 C ATOM 251 O PRO A 17 -18.332 4.706 7.412 1.00 1.27 O ATOM 252 CB PRO A 17 -19.222 6.769 9.393 1.00 1.02 C ATOM 253 CG PRO A 17 -19.156 8.261 9.446 1.00 1.42 C ATOM 254 CD PRO A 17 -17.996 8.687 8.571 1.00 1.13 C ATOM 0 HA PRO A 17 -17.151 6.219 9.986 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.902 6.429 8.612 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -19.584 6.354 10.333 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.088 8.701 9.091 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -19.012 8.604 10.471 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.340 9.206 7.676 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.328 9.369 9.098 1.00 1.13 H new ATOM 262 N SER A 18 -17.055 4.024 9.164 1.00 1.06 N ATOM 263 CA SER A 18 -16.856 2.642 8.723 1.00 1.31 C ATOM 264 C SER A 18 -15.823 2.566 7.599 1.00 1.10 C ATOM 265 O SER A 18 -14.639 2.460 7.889 1.00 1.50 O ATOM 266 CB SER A 18 -18.181 1.985 8.317 1.00 1.75 C ATOM 267 OG SER A 18 -19.118 2.051 9.383 1.00 2.18 O ATOM 0 H SER A 18 -16.604 4.231 10.055 1.00 1.06 H new ATOM 0 HA SER A 18 -16.464 2.078 9.569 1.00 1.31 H new ATOM 0 HB2 SER A 18 -18.587 2.485 7.437 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.008 0.945 8.041 1.00 1.75 H new ATOM 0 HG SER A 18 -19.958 1.629 9.107 1.00 2.18 H new ATOM 273 N ARG A 19 -16.282 2.669 6.344 1.00 0.81 N ATOM 274 CA ARG A 19 -15.445 2.549 5.141 1.00 0.66 C ATOM 275 C ARG A 19 -14.271 1.586 5.316 1.00 0.64 C ATOM 276 O ARG A 19 -13.198 1.961 5.778 1.00 1.02 O ATOM 277 CB ARG A 19 -14.961 3.920 4.682 1.00 0.68 C ATOM 278 CG ARG A 19 -15.946 4.662 3.811 1.00 1.15 C ATOM 279 CD ARG A 19 -17.311 4.774 4.461 1.00 1.94 C ATOM 280 NE ARG A 19 -18.238 5.567 3.661 1.00 2.51 N ATOM 281 CZ ARG A 19 -19.127 6.414 4.173 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.268 6.525 5.488 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.900 7.129 3.368 1.00 3.99 N ATOM 0 H ARG A 19 -17.265 2.841 6.132 1.00 0.81 H new ATOM 0 HA ARG A 19 -16.079 2.118 4.366 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.739 4.527 5.559 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -14.027 3.799 4.133 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -15.562 5.660 3.600 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -16.042 4.149 2.854 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -17.724 3.776 4.610 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -17.206 5.226 5.447 1.00 1.94 H new ATOM 0 HE ARG A 19 -18.202 5.466 2.647 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.693 5.959 6.112 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -19.951 7.176 5.874 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.813 7.030 2.357 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.582 7.779 3.760 1.00 3.99 H new ATOM 297 N ILE A 20 -14.481 0.351 4.889 1.00 0.52 N ATOM 298 CA ILE A 20 -13.559 -0.741 5.196 1.00 0.51 C ATOM 299 C ILE A 20 -13.259 -1.587 3.962 1.00 0.54 C ATOM 300 O ILE A 20 -14.114 -1.766 3.094 1.00 0.76 O ATOM 301 CB ILE A 20 -14.133 -1.657 6.305 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.827 -0.797 7.358 1.00 0.78 C ATOM 303 CG2 ILE A 20 -13.036 -2.515 6.926 1.00 0.72 C ATOM 304 CD1 ILE A 20 -14.323 -0.979 8.758 1.00 0.83 C ATOM 0 H ILE A 20 -15.285 0.075 4.326 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.633 -0.282 5.544 1.00 0.51 H new ATOM 0 HB ILE A 20 -14.863 -2.338 5.867 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.714 0.251 7.081 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -15.894 -1.019 7.340 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -13.465 -3.149 7.702 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -12.583 -3.140 6.156 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -12.274 -1.870 7.365 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.877 -0.326 9.432 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -14.461 -2.016 9.062 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -13.263 -0.727 8.799 1.00 0.83 H new ATOM 316 N LEU A 21 -12.031 -2.085 3.892 1.00 0.50 N ATOM 317 CA LEU A 21 -11.586 -2.960 2.812 1.00 0.55 C ATOM 318 C LEU A 21 -10.534 -3.904 3.338 1.00 0.52 C ATOM 319 O LEU A 21 -9.772 -3.538 4.233 1.00 0.75 O ATOM 320 CB LEU A 21 -10.965 -2.165 1.667 1.00 0.72 C ATOM 321 CG LEU A 21 -11.912 -1.248 0.911 1.00 1.39 C ATOM 322 CD1 LEU A 21 -11.110 -0.275 0.077 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.855 -2.058 0.034 1.00 2.20 C ATOM 0 H LEU A 21 -11.310 -1.892 4.587 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.458 -3.499 2.443 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -10.149 -1.564 2.068 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -10.526 -2.867 0.958 1.00 0.72 H new ATOM 0 HG LEU A 21 -12.517 -0.690 1.626 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.788 0.384 -0.466 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -10.470 0.320 0.728 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -10.494 -0.826 -0.633 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.525 -1.384 -0.499 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.276 -2.637 -0.685 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -13.441 -2.734 0.657 1.00 2.20 H new ATOM 335 N GLN A 22 -10.472 -5.096 2.776 1.00 0.47 N ATOM 336 CA GLN A 22 -9.461 -6.043 3.145 1.00 0.47 C ATOM 337 C GLN A 22 -8.291 -5.926 2.175 1.00 0.42 C ATOM 338 O GLN A 22 -8.364 -6.374 1.031 1.00 0.51 O ATOM 339 CB GLN A 22 -10.047 -7.450 3.141 1.00 0.60 C ATOM 340 CG GLN A 22 -9.044 -8.496 3.542 1.00 0.71 C ATOM 341 CD GLN A 22 -9.581 -9.908 3.418 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.451 -10.546 2.376 1.00 1.69 O ATOM 343 NE2 GLN A 22 -10.189 -10.403 4.483 1.00 1.34 N ATOM 0 H GLN A 22 -11.118 -5.424 2.059 1.00 0.47 H new ATOM 0 HA GLN A 22 -9.099 -5.834 4.152 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.897 -7.487 3.822 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -10.426 -7.679 2.145 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -8.154 -8.396 2.921 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.735 -8.320 4.572 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -10.276 -9.839 5.329 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -10.571 -11.348 4.459 1.00 1.34 H new ATOM 352 N TYR A 23 -7.224 -5.300 2.635 1.00 0.42 N ATOM 353 CA TYR A 23 -6.057 -5.062 1.810 1.00 0.42 C ATOM 354 C TYR A 23 -5.012 -6.136 2.114 1.00 0.41 C ATOM 355 O TYR A 23 -5.031 -6.747 3.185 1.00 0.49 O ATOM 356 CB TYR A 23 -5.497 -3.664 2.101 1.00 0.52 C ATOM 357 CG TYR A 23 -4.596 -3.651 3.312 1.00 0.50 C ATOM 358 CD1 TYR A 23 -5.118 -3.412 4.572 1.00 0.54 C ATOM 359 CD2 TYR A 23 -3.231 -3.850 3.193 1.00 0.58 C ATOM 360 CE1 TYR A 23 -4.308 -3.370 5.685 1.00 0.61 C ATOM 361 CE2 TYR A 23 -2.407 -3.814 4.301 1.00 0.63 C ATOM 362 CZ TYR A 23 -2.922 -3.683 5.527 1.00 0.63 C ATOM 363 OH TYR A 23 -2.147 -3.529 6.663 1.00 0.74 O ATOM 0 H TYR A 23 -7.143 -4.944 3.587 1.00 0.42 H new ATOM 0 HA TYR A 23 -6.325 -5.111 0.755 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -4.941 -3.309 1.233 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -6.322 -2.969 2.257 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -6.181 -3.256 4.684 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -2.804 -4.036 2.219 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -4.710 -3.107 6.653 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -1.337 -3.892 4.175 1.00 0.63 H new ATOM 0 HH TYR A 23 -1.218 -3.766 6.460 1.00 0.74 H new ATOM 373 N HIS A 24 -4.109 -6.372 1.182 1.00 0.50 N ATOM 374 CA HIS A 24 -3.058 -7.353 1.387 1.00 0.57 C ATOM 375 C HIS A 24 -1.753 -6.904 0.760 1.00 0.60 C ATOM 376 O HIS A 24 -1.602 -6.955 -0.447 1.00 0.58 O ATOM 377 CB HIS A 24 -3.457 -8.707 0.790 1.00 0.61 C ATOM 378 CG HIS A 24 -2.361 -9.727 0.856 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.382 -9.704 1.824 1.00 0.75 N ATOM 380 CD2 HIS A 24 -2.080 -10.787 0.063 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.547 -10.706 1.625 1.00 0.88 C ATOM 382 NE2 HIS A 24 -0.948 -11.381 0.562 1.00 0.94 N ATOM 0 H HIS A 24 -4.081 -5.900 0.278 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.918 -7.454 2.463 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.331 -9.087 1.320 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.751 -8.566 -0.250 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.313 -9.019 2.577 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.642 -11.106 -0.802 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.318 -10.936 2.229 1.00 0.88 H new ATOM 391 N CYS A 25 -0.810 -6.474 1.568 1.00 0.71 N ATOM 392 CA CYS A 25 0.518 -6.202 1.053 1.00 0.74 C ATOM 393 C CYS A 25 1.458 -7.356 1.377 1.00 0.91 C ATOM 394 O CYS A 25 1.205 -8.116 2.312 1.00 1.01 O ATOM 395 CB CYS A 25 1.058 -4.888 1.616 1.00 0.79 C ATOM 396 SG CYS A 25 -0.150 -3.523 1.593 1.00 1.12 S ATOM 0 H CYS A 25 -0.931 -6.307 2.567 1.00 0.71 H new ATOM 0 HA CYS A 25 0.455 -6.103 -0.031 1.00 0.74 H new ATOM 0 HB2 CYS A 25 1.387 -5.052 2.642 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.937 -4.592 1.043 1.00 0.79 H new ATOM 401 N ARG A 26 2.507 -7.517 0.577 1.00 1.14 N ATOM 402 CA ARG A 26 3.479 -8.595 0.794 1.00 1.38 C ATOM 403 C ARG A 26 4.869 -8.214 0.286 1.00 1.87 C ATOM 404 O ARG A 26 5.005 -7.385 -0.620 1.00 2.24 O ATOM 405 CB ARG A 26 3.009 -9.888 0.122 1.00 1.45 C ATOM 406 CG ARG A 26 2.716 -9.738 -1.360 1.00 2.13 C ATOM 407 CD ARG A 26 2.261 -11.048 -1.975 1.00 2.66 C ATOM 408 NE ARG A 26 1.780 -10.868 -3.344 1.00 3.26 N ATOM 409 CZ ARG A 26 1.451 -11.872 -4.158 1.00 4.00 C ATOM 410 NH1 ARG A 26 1.615 -13.133 -3.768 1.00 4.21 N ATOM 411 NH2 ARG A 26 0.969 -11.617 -5.366 1.00 4.86 N ATOM 0 H ARG A 26 2.710 -6.920 -0.225 1.00 1.14 H new ATOM 0 HA ARG A 26 3.549 -8.758 1.869 1.00 1.38 H new ATOM 0 HB2 ARG A 26 3.773 -10.654 0.256 1.00 1.45 H new ATOM 0 HB3 ARG A 26 2.110 -10.242 0.626 1.00 1.45 H new ATOM 0 HG2 ARG A 26 1.945 -8.981 -1.504 1.00 2.13 H new ATOM 0 HG3 ARG A 26 3.610 -9.385 -1.874 1.00 2.13 H new ATOM 0 HD2 ARG A 26 3.088 -11.758 -1.971 1.00 2.66 H new ATOM 0 HD3 ARG A 26 1.468 -11.480 -1.365 1.00 2.66 H new ATOM 0 HE ARG A 26 1.691 -9.916 -3.698 1.00 3.26 H new ATOM 0 HH11 ARG A 26 1.994 -13.336 -2.843 1.00 4.21 H new ATOM 0 HH12 ARG A 26 1.362 -13.897 -4.394 1.00 4.21 H new ATOM 0 HH21 ARG A 26 0.849 -10.652 -5.674 1.00 4.86 H new ATOM 0 HH22 ARG A 26 0.718 -12.386 -5.988 1.00 4.86 H new ATOM 425 N SER A 27 5.889 -8.830 0.890 1.00 2.10 N ATOM 426 CA SER A 27 7.288 -8.578 0.552 1.00 2.66 C ATOM 427 C SER A 27 7.856 -9.735 -0.262 1.00 2.39 C ATOM 428 O SER A 27 7.251 -10.808 -0.339 1.00 2.70 O ATOM 429 CB SER A 27 8.104 -8.399 1.837 1.00 3.73 C ATOM 430 OG SER A 27 9.455 -8.063 1.570 1.00 4.43 O ATOM 0 H SER A 27 5.764 -9.520 1.630 1.00 2.10 H new ATOM 0 HA SER A 27 7.347 -7.669 -0.046 1.00 2.66 H new ATOM 0 HB2 SER A 27 7.651 -7.618 2.447 1.00 3.73 H new ATOM 0 HB3 SER A 27 8.068 -9.320 2.419 1.00 3.73 H new ATOM 0 HG SER A 27 9.939 -7.956 2.416 1.00 4.43 H new ATOM 436 N GLY A 28 9.037 -9.515 -0.844 1.00 2.45 N ATOM 437 CA GLY A 28 9.667 -10.509 -1.701 1.00 2.54 C ATOM 438 C GLY A 28 10.260 -11.673 -0.933 1.00 2.68 C ATOM 439 O GLY A 28 11.074 -12.429 -1.465 1.00 3.22 O ATOM 0 H GLY A 28 9.573 -8.654 -0.734 1.00 2.45 H new ATOM 0 HA2 GLY A 28 8.930 -10.888 -2.409 1.00 2.54 H new ATOM 0 HA3 GLY A 28 10.453 -10.030 -2.285 1.00 2.54 H new ATOM 443 N ASN A 29 9.829 -11.819 0.308 1.00 2.60 N ATOM 444 CA ASN A 29 10.315 -12.861 1.195 1.00 2.96 C ATOM 445 C ASN A 29 9.478 -12.864 2.465 1.00 2.76 C ATOM 446 O ASN A 29 9.047 -13.911 2.942 1.00 3.04 O ATOM 447 CB ASN A 29 11.793 -12.637 1.544 1.00 3.49 C ATOM 448 CG ASN A 29 12.374 -13.758 2.386 1.00 4.17 C ATOM 449 OD1 ASN A 29 12.331 -13.717 3.617 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.930 -14.765 1.727 1.00 4.63 N ATOM 0 H ASN A 29 9.126 -11.213 0.731 1.00 2.60 H new ATOM 0 HA ASN A 29 10.228 -13.823 0.691 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.369 -12.544 0.623 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.896 -11.694 2.081 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.343 -15.544 2.240 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.945 -14.761 0.707 1.00 4.63 H new ATOM 457 N THR A 30 9.225 -11.670 2.982 1.00 2.45 N ATOM 458 CA THR A 30 8.483 -11.503 4.220 1.00 2.33 C ATOM 459 C THR A 30 6.977 -11.397 3.960 1.00 2.07 C ATOM 460 O THR A 30 6.511 -10.475 3.289 1.00 2.10 O ATOM 461 CB THR A 30 8.977 -10.248 4.964 1.00 2.45 C ATOM 462 OG1 THR A 30 10.401 -10.316 5.124 1.00 2.93 O ATOM 463 CG2 THR A 30 8.313 -10.108 6.326 1.00 2.70 C ATOM 0 H THR A 30 9.528 -10.794 2.556 1.00 2.45 H new ATOM 0 HA THR A 30 8.657 -12.384 4.837 1.00 2.33 H new ATOM 0 HB THR A 30 8.710 -9.374 4.370 1.00 2.45 H new ATOM 0 HG1 THR A 30 10.716 -9.517 5.596 1.00 2.93 H new ATOM 0 HG21 THR A 30 8.686 -9.212 6.822 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.233 -10.030 6.198 1.00 2.70 H new ATOM 0 HG23 THR A 30 8.544 -10.982 6.935 1.00 2.70 H new ATOM 471 N ASN A 31 6.222 -12.359 4.470 1.00 1.97 N ATOM 472 CA ASN A 31 4.765 -12.299 4.408 1.00 1.75 C ATOM 473 C ASN A 31 4.247 -11.601 5.656 1.00 1.78 C ATOM 474 O ASN A 31 4.728 -11.858 6.759 1.00 2.34 O ATOM 475 CB ASN A 31 4.152 -13.701 4.301 1.00 2.09 C ATOM 476 CG ASN A 31 4.519 -14.412 3.014 1.00 2.43 C ATOM 477 OD1 ASN A 31 3.866 -14.238 1.983 1.00 2.89 O ATOM 478 ND2 ASN A 31 5.549 -15.242 3.068 1.00 2.98 N ATOM 0 H ASN A 31 6.591 -13.190 4.931 1.00 1.97 H new ATOM 0 HA ASN A 31 4.475 -11.742 3.517 1.00 1.75 H new ATOM 0 HB2 ASN A 31 4.483 -14.302 5.148 1.00 2.09 H new ATOM 0 HB3 ASN A 31 3.067 -13.623 4.370 1.00 2.09 H new ATOM 0 HD21 ASN A 31 5.827 -15.765 2.237 1.00 2.98 H new ATOM 0 HD22 ASN A 31 6.065 -15.359 3.940 1.00 2.98 H new ATOM 485 N VAL A 32 3.278 -10.715 5.488 1.00 1.39 N ATOM 486 CA VAL A 32 2.812 -9.893 6.596 1.00 1.52 C ATOM 487 C VAL A 32 1.424 -10.301 7.078 1.00 1.38 C ATOM 488 O VAL A 32 1.208 -10.475 8.280 1.00 2.10 O ATOM 489 CB VAL A 32 2.873 -8.399 6.274 1.00 2.13 C ATOM 490 CG1 VAL A 32 2.855 -8.252 4.805 1.00 2.68 C ATOM 491 CG2 VAL A 32 1.749 -7.633 6.939 1.00 2.64 C ATOM 0 H VAL A 32 2.801 -10.546 4.602 1.00 1.39 H new ATOM 0 HA VAL A 32 3.503 -10.075 7.419 1.00 1.52 H new ATOM 0 HB VAL A 32 3.792 -7.970 6.673 1.00 2.13 H new ATOM 0 HG11 VAL A 32 2.898 -7.194 4.545 1.00 2.68 H new ATOM 0 HG12 VAL A 32 3.716 -8.766 4.377 1.00 2.68 H new ATOM 0 HG13 VAL A 32 1.938 -8.687 4.407 1.00 2.68 H new ATOM 0 HG21 VAL A 32 1.829 -6.576 6.685 1.00 2.64 H new ATOM 0 HG22 VAL A 32 0.791 -8.018 6.591 1.00 2.64 H new ATOM 0 HG23 VAL A 32 1.817 -7.752 8.020 1.00 2.64 H new ATOM 501 N GLY A 33 0.493 -10.485 6.150 1.00 1.00 N ATOM 502 CA GLY A 33 -0.858 -10.799 6.524 1.00 1.43 C ATOM 503 C GLY A 33 -1.857 -10.113 5.627 1.00 0.99 C ATOM 504 O GLY A 33 -1.486 -9.348 4.730 1.00 1.13 O ATOM 0 H GLY A 33 0.657 -10.421 5.145 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -1.007 -11.878 6.478 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -1.029 -10.498 7.557 1.00 1.43 H new ATOM 508 N VAL A 34 -3.119 -10.403 5.860 1.00 0.80 N ATOM 509 CA VAL A 34 -4.203 -9.832 5.085 1.00 0.56 C ATOM 510 C VAL A 34 -5.292 -9.334 6.033 1.00 0.63 C ATOM 511 O VAL A 34 -5.924 -10.134 6.726 1.00 1.03 O ATOM 512 CB VAL A 34 -4.806 -10.885 4.139 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.889 -10.269 3.267 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.715 -11.517 3.294 1.00 1.06 C ATOM 0 H VAL A 34 -3.424 -11.043 6.593 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.811 -9.006 4.492 1.00 0.56 H new ATOM 0 HB VAL A 34 -5.270 -11.668 4.739 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -6.301 -11.031 2.606 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.682 -9.870 3.899 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.461 -9.464 2.670 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -4.155 -12.260 2.629 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -3.221 -10.747 2.702 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.984 -11.999 3.944 1.00 1.06 H new ATOM 524 N GLN A 35 -5.516 -8.030 6.080 1.00 0.63 N ATOM 525 CA GLN A 35 -6.460 -7.469 7.039 1.00 0.85 C ATOM 526 C GLN A 35 -7.312 -6.374 6.433 1.00 0.70 C ATOM 527 O GLN A 35 -6.981 -5.810 5.391 1.00 0.82 O ATOM 528 CB GLN A 35 -5.729 -6.924 8.263 1.00 1.45 C ATOM 529 CG GLN A 35 -5.355 -8.000 9.262 1.00 2.06 C ATOM 530 CD GLN A 35 -4.816 -7.443 10.563 1.00 2.71 C ATOM 531 OE1 GLN A 35 -4.172 -6.291 10.497 1.00 3.16 O flip ATOM 532 NE2 GLN A 35 -4.977 -8.046 11.622 1.00 3.28 N flip ATOM 0 H GLN A 35 -5.064 -7.346 5.474 1.00 0.63 H new ATOM 0 HA GLN A 35 -7.120 -8.283 7.339 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.825 -6.408 7.939 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -6.360 -6.183 8.755 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -6.232 -8.613 9.472 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -4.607 -8.656 8.817 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -5.480 -8.933 11.632 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -4.608 -7.659 12.490 1.00 3.28 H new ATOM 541 N TYR A 36 -8.415 -6.082 7.103 1.00 0.78 N ATOM 542 CA TYR A 36 -9.278 -4.986 6.697 1.00 0.73 C ATOM 543 C TYR A 36 -9.121 -3.811 7.641 1.00 0.78 C ATOM 544 O TYR A 36 -8.942 -3.990 8.845 1.00 1.06 O ATOM 545 CB TYR A 36 -10.741 -5.392 6.578 1.00 0.94 C ATOM 546 CG TYR A 36 -11.268 -6.166 7.738 1.00 1.62 C ATOM 547 CD1 TYR A 36 -10.909 -7.476 7.903 1.00 2.09 C ATOM 548 CD2 TYR A 36 -12.136 -5.591 8.640 1.00 2.13 C ATOM 549 CE1 TYR A 36 -11.402 -8.222 8.954 1.00 3.04 C ATOM 550 CE2 TYR A 36 -12.636 -6.309 9.697 1.00 3.13 C ATOM 551 CZ TYR A 36 -12.268 -7.632 9.854 1.00 3.57 C ATOM 552 OH TYR A 36 -12.768 -8.365 10.909 1.00 4.60 O ATOM 0 H TYR A 36 -8.733 -6.588 7.929 1.00 0.78 H new ATOM 0 HA TYR A 36 -8.959 -4.688 5.698 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -11.345 -4.493 6.454 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -10.866 -5.988 5.674 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -10.229 -7.933 7.200 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -12.428 -4.559 8.513 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -11.114 -9.256 9.072 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -13.311 -5.844 10.400 1.00 3.13 H new ATOM 0 HH TYR A 36 -13.361 -7.801 11.447 1.00 4.60 H new ATOM 562 N LEU A 37 -9.185 -2.613 7.092 1.00 0.72 N ATOM 563 CA LEU A 37 -8.949 -1.408 7.864 1.00 0.89 C ATOM 564 C LEU A 37 -10.167 -0.511 7.796 1.00 0.70 C ATOM 565 O LEU A 37 -10.790 -0.384 6.741 1.00 0.61 O ATOM 566 CB LEU A 37 -7.739 -0.659 7.309 1.00 1.23 C ATOM 567 CG LEU A 37 -6.770 -0.078 8.343 1.00 1.93 C ATOM 568 CD1 LEU A 37 -5.762 0.809 7.651 1.00 2.72 C ATOM 569 CD2 LEU A 37 -7.494 0.702 9.430 1.00 2.57 C ATOM 0 H LEU A 37 -9.400 -2.448 6.109 1.00 0.72 H new ATOM 0 HA LEU A 37 -8.756 -1.686 8.900 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -7.183 -1.338 6.662 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -8.099 0.156 6.681 1.00 1.23 H new ATOM 0 HG LEU A 37 -6.260 -0.911 8.827 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -5.073 1.221 8.388 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -5.203 0.224 6.920 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -6.281 1.623 7.144 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.767 1.095 10.141 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -8.045 1.528 8.980 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -8.189 0.042 9.949 1.00 2.57 H new ATOM 581 N ASN A 38 -10.506 0.096 8.918 1.00 0.78 N ATOM 582 CA ASN A 38 -11.608 1.036 8.966 1.00 0.73 C ATOM 583 C ASN A 38 -11.155 2.428 8.588 1.00 0.68 C ATOM 584 O ASN A 38 -9.960 2.731 8.561 1.00 0.75 O ATOM 585 CB ASN A 38 -12.253 1.078 10.356 1.00 0.94 C ATOM 586 CG ASN A 38 -11.257 1.331 11.473 1.00 1.62 C ATOM 587 OD1 ASN A 38 -10.708 0.394 12.054 1.00 2.32 O ATOM 588 ND2 ASN A 38 -11.010 2.595 11.778 1.00 2.29 N ATOM 0 H ASN A 38 -10.032 -0.046 9.810 1.00 0.78 H new ATOM 0 HA ASN A 38 -12.348 0.689 8.244 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -13.013 1.859 10.373 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.763 0.133 10.541 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -10.345 2.821 12.517 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -11.485 3.344 11.274 1.00 2.29 H new ATOM 595 N PHE A 39 -12.133 3.258 8.309 1.00 0.68 N ATOM 596 CA PHE A 39 -11.907 4.662 7.999 1.00 0.72 C ATOM 597 C PHE A 39 -11.181 5.363 9.148 1.00 0.83 C ATOM 598 O PHE A 39 -11.386 5.026 10.321 1.00 1.66 O ATOM 599 CB PHE A 39 -13.243 5.348 7.687 1.00 0.85 C ATOM 600 CG PHE A 39 -13.308 6.792 8.117 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.717 7.788 7.352 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.968 7.153 9.277 1.00 1.43 C ATOM 603 CE1 PHE A 39 -12.786 9.112 7.738 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.038 8.476 9.671 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.411 9.452 8.922 1.00 2.03 C ATOM 0 H PHE A 39 -13.115 2.983 8.289 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.269 4.730 7.118 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.427 5.291 6.614 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -14.045 4.797 8.178 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.197 7.524 6.443 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.435 6.391 9.883 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.352 9.880 7.115 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.583 8.746 10.564 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.409 10.478 9.261 1.00 2.03 H new ATOM 615 N LYS A 40 -10.320 6.320 8.789 1.00 0.86 N ATOM 616 CA LYS A 40 -9.583 7.141 9.752 1.00 0.97 C ATOM 617 C LYS A 40 -8.471 6.349 10.413 1.00 0.72 C ATOM 618 O LYS A 40 -8.165 6.548 11.591 1.00 1.17 O ATOM 619 CB LYS A 40 -10.508 7.699 10.828 1.00 1.52 C ATOM 620 CG LYS A 40 -10.542 9.220 10.904 1.00 2.18 C ATOM 621 CD LYS A 40 -9.197 9.813 11.296 1.00 2.89 C ATOM 622 CE LYS A 40 -8.817 9.469 12.727 1.00 3.36 C ATOM 623 NZ LYS A 40 -7.538 10.113 13.126 1.00 3.76 N ATOM 0 H LYS A 40 -10.114 6.547 7.816 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.148 7.969 9.193 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.519 7.334 10.645 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.197 7.306 11.796 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -10.845 9.622 9.937 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -11.296 9.528 11.628 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -8.427 9.444 10.618 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -9.231 10.896 11.181 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -9.611 9.789 13.401 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -8.728 8.388 12.830 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -7.311 9.856 14.108 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -6.775 9.789 12.498 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -7.632 11.146 13.052 1.00 3.76 H new ATOM 637 N GLY A 41 -7.860 5.455 9.667 1.00 0.71 N ATOM 638 CA GLY A 41 -6.826 4.640 10.227 1.00 1.13 C ATOM 639 C GLY A 41 -5.816 4.206 9.193 1.00 0.94 C ATOM 640 O GLY A 41 -6.113 4.152 7.997 1.00 1.09 O ATOM 0 H GLY A 41 -8.064 5.281 8.683 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.319 5.193 11.018 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -7.271 3.759 10.689 1.00 1.13 H new ATOM 644 N THR A 42 -4.619 3.927 9.661 1.00 0.82 N ATOM 645 CA THR A 42 -3.533 3.466 8.814 1.00 0.68 C ATOM 646 C THR A 42 -3.014 2.114 9.290 1.00 0.65 C ATOM 647 O THR A 42 -3.124 1.770 10.470 1.00 0.75 O ATOM 648 CB THR A 42 -2.385 4.483 8.801 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.401 5.258 10.009 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.495 5.398 7.599 1.00 0.71 C ATOM 0 H THR A 42 -4.367 4.013 10.646 1.00 0.82 H new ATOM 0 HA THR A 42 -3.922 3.359 7.802 1.00 0.68 H new ATOM 0 HB THR A 42 -1.443 3.939 8.737 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.664 5.904 9.993 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.671 6.112 7.609 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.451 4.805 6.685 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.442 5.936 7.637 1.00 0.71 H new ATOM 658 N ARG A 43 -2.458 1.352 8.365 1.00 0.58 N ATOM 659 CA ARG A 43 -1.908 0.042 8.664 1.00 0.58 C ATOM 660 C ARG A 43 -0.500 -0.024 8.116 1.00 0.52 C ATOM 661 O ARG A 43 -0.307 -0.063 6.901 1.00 0.50 O ATOM 662 CB ARG A 43 -2.776 -1.051 8.050 1.00 0.67 C ATOM 663 CG ARG A 43 -3.627 -1.810 9.061 1.00 0.86 C ATOM 664 CD ARG A 43 -2.881 -3.001 9.650 1.00 1.27 C ATOM 665 NE ARG A 43 -1.680 -2.612 10.388 1.00 1.59 N ATOM 666 CZ ARG A 43 -0.464 -3.102 10.148 1.00 2.26 C ATOM 667 NH1 ARG A 43 -0.272 -3.962 9.155 1.00 2.74 N ATOM 668 NH2 ARG A 43 0.560 -2.733 10.906 1.00 3.01 N ATOM 0 H ARG A 43 -2.375 1.624 7.385 1.00 0.58 H new ATOM 0 HA ARG A 43 -1.889 -0.116 9.742 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.431 -0.603 7.303 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.134 -1.759 7.527 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -3.926 -1.135 9.863 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -4.541 -2.156 8.579 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -3.549 -3.549 10.315 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -2.603 -3.683 8.846 1.00 1.27 H new ATOM 0 HE ARG A 43 -1.779 -1.922 11.133 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -1.057 -4.251 8.571 1.00 2.74 H new ATOM 0 HH12 ARG A 43 0.661 -4.334 8.976 1.00 2.74 H new ATOM 0 HH21 ARG A 43 0.416 -2.075 11.672 1.00 3.01 H new ATOM 0 HH22 ARG A 43 1.491 -3.108 10.723 1.00 3.01 H new ATOM 682 N ILE A 44 0.483 -0.020 9.000 1.00 0.52 N ATOM 683 CA ILE A 44 1.843 0.197 8.567 1.00 0.51 C ATOM 684 C ILE A 44 2.725 -1.026 8.716 1.00 0.58 C ATOM 685 O ILE A 44 2.885 -1.597 9.796 1.00 0.66 O ATOM 686 CB ILE A 44 2.507 1.390 9.271 1.00 0.53 C ATOM 687 CG1 ILE A 44 1.660 2.640 9.107 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.871 1.640 8.666 1.00 0.59 C ATOM 689 CD1 ILE A 44 0.599 2.824 10.171 1.00 0.61 C ATOM 0 H ILE A 44 0.364 -0.162 10.003 1.00 0.52 H new ATOM 0 HA ILE A 44 1.753 0.421 7.504 1.00 0.51 H new ATOM 0 HB ILE A 44 2.604 1.158 10.332 1.00 0.53 H new ATOM 0 HG12 ILE A 44 2.316 3.511 9.111 1.00 0.56 H new ATOM 0 HG13 ILE A 44 1.176 2.610 8.131 1.00 0.56 H new ATOM 0 HG21 ILE A 44 4.341 2.487 9.166 1.00 0.59 H new ATOM 0 HG22 ILE A 44 4.493 0.753 8.791 1.00 0.59 H new ATOM 0 HG23 ILE A 44 3.763 1.860 7.604 1.00 0.59 H new ATOM 0 HD11 ILE A 44 0.043 3.741 9.975 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.084 1.975 10.155 1.00 0.61 H new ATOM 0 HD13 ILE A 44 1.073 2.889 11.150 1.00 0.61 H new ATOM 701 N ILE A 45 3.285 -1.393 7.591 1.00 0.61 N ATOM 702 CA ILE A 45 4.248 -2.454 7.468 1.00 0.74 C ATOM 703 C ILE A 45 5.647 -1.894 7.454 1.00 0.77 C ATOM 704 O ILE A 45 5.840 -0.701 7.260 1.00 0.79 O ATOM 705 CB ILE A 45 4.041 -3.187 6.176 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.626 -3.582 6.081 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.923 -4.409 6.049 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.286 -4.006 4.700 1.00 1.20 C ATOM 0 H ILE A 45 3.073 -0.942 6.701 1.00 0.61 H new ATOM 0 HA ILE A 45 4.117 -3.125 8.317 1.00 0.74 H new ATOM 0 HB ILE A 45 4.315 -2.516 5.362 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.424 -4.397 6.776 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.991 -2.747 6.376 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.730 -4.899 5.095 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.970 -4.109 6.098 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.706 -5.101 6.863 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.235 -4.293 4.656 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.466 -3.181 4.011 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.907 -4.856 4.417 1.00 1.20 H new ATOM 720 N LYS A 46 6.613 -2.742 7.672 1.00 0.90 N ATOM 721 CA LYS A 46 7.983 -2.363 7.413 1.00 0.97 C ATOM 722 C LYS A 46 8.697 -3.482 6.669 1.00 1.10 C ATOM 723 O LYS A 46 8.606 -4.649 7.049 1.00 1.20 O ATOM 724 CB LYS A 46 8.716 -1.996 8.702 1.00 1.10 C ATOM 725 CG LYS A 46 10.040 -1.290 8.459 1.00 1.35 C ATOM 726 CD LYS A 46 10.678 -0.783 9.747 1.00 1.85 C ATOM 727 CE LYS A 46 11.374 -1.890 10.531 1.00 2.11 C ATOM 728 NZ LYS A 46 10.424 -2.839 11.171 1.00 2.65 N ATOM 0 H LYS A 46 6.485 -3.691 8.024 1.00 0.90 H new ATOM 0 HA LYS A 46 7.982 -1.472 6.785 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.075 -1.354 9.306 1.00 1.10 H new ATOM 0 HB3 LYS A 46 8.896 -2.902 9.280 1.00 1.10 H new ATOM 0 HG2 LYS A 46 10.727 -1.975 7.962 1.00 1.35 H new ATOM 0 HG3 LYS A 46 9.881 -0.451 7.782 1.00 1.35 H new ATOM 0 HD2 LYS A 46 11.401 -0.003 9.508 1.00 1.85 H new ATOM 0 HD3 LYS A 46 9.911 -0.326 10.373 1.00 1.85 H new ATOM 0 HE2 LYS A 46 12.033 -2.442 9.861 1.00 2.11 H new ATOM 0 HE3 LYS A 46 12.003 -1.442 11.300 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 10.795 -3.128 12.099 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 9.501 -2.375 11.296 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 10.311 -3.678 10.566 1.00 2.65 H new ATOM 742 N PHE A 47 9.432 -3.096 5.640 1.00 1.20 N ATOM 743 CA PHE A 47 10.049 -3.995 4.689 1.00 1.41 C ATOM 744 C PHE A 47 11.241 -3.248 4.184 1.00 1.59 C ATOM 745 O PHE A 47 11.371 -2.057 4.453 1.00 1.68 O ATOM 746 CB PHE A 47 9.149 -4.356 3.494 1.00 1.50 C ATOM 747 CG PHE A 47 8.053 -5.354 3.767 1.00 1.87 C ATOM 748 CD1 PHE A 47 6.883 -5.388 3.021 1.00 2.53 C ATOM 749 CD2 PHE A 47 8.209 -6.263 4.792 1.00 2.17 C ATOM 750 CE1 PHE A 47 5.902 -6.319 3.292 1.00 3.14 C ATOM 751 CE2 PHE A 47 7.230 -7.195 5.072 1.00 2.69 C ATOM 752 CZ PHE A 47 5.993 -7.159 4.221 1.00 3.10 C ATOM 0 H PHE A 47 9.620 -2.114 5.440 1.00 1.20 H new ATOM 0 HA PHE A 47 10.277 -4.942 5.177 1.00 1.41 H new ATOM 0 HB2 PHE A 47 8.693 -3.440 3.119 1.00 1.50 H new ATOM 0 HB3 PHE A 47 9.779 -4.748 2.696 1.00 1.50 H new ATOM 0 HD1 PHE A 47 6.739 -4.678 2.220 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.111 -6.246 5.385 1.00 2.17 H new ATOM 0 HE1 PHE A 47 5.014 -6.326 2.677 1.00 3.14 H new ATOM 0 HE2 PHE A 47 7.348 -7.917 5.867 1.00 2.69 H new ATOM 0 HZ PHE A 47 5.186 -7.852 4.407 1.00 3.10 H new ATOM 762 N LYS A 48 12.093 -3.885 3.447 1.00 1.83 N ATOM 763 CA LYS A 48 13.366 -3.288 3.200 1.00 2.13 C ATOM 764 C LYS A 48 13.868 -3.613 1.801 1.00 2.50 C ATOM 765 O LYS A 48 13.561 -4.672 1.252 1.00 3.01 O ATOM 766 CB LYS A 48 14.271 -3.773 4.302 1.00 2.46 C ATOM 767 CG LYS A 48 14.683 -5.234 4.188 1.00 3.10 C ATOM 768 CD LYS A 48 15.646 -5.630 5.295 1.00 3.81 C ATOM 769 CE LYS A 48 15.849 -7.137 5.346 1.00 4.36 C ATOM 770 NZ LYS A 48 14.611 -7.853 5.749 1.00 4.90 N ATOM 0 H LYS A 48 11.938 -4.796 3.015 1.00 1.83 H new ATOM 0 HA LYS A 48 13.321 -2.199 3.217 1.00 2.13 H new ATOM 0 HB2 LYS A 48 15.169 -3.156 4.314 1.00 2.46 H new ATOM 0 HB3 LYS A 48 13.769 -3.624 5.258 1.00 2.46 H new ATOM 0 HG2 LYS A 48 13.797 -5.867 4.232 1.00 3.10 H new ATOM 0 HG3 LYS A 48 15.151 -5.407 3.219 1.00 3.10 H new ATOM 0 HD2 LYS A 48 16.606 -5.138 5.137 1.00 3.81 H new ATOM 0 HD3 LYS A 48 15.263 -5.281 6.254 1.00 3.81 H new ATOM 0 HE2 LYS A 48 16.171 -7.493 4.367 1.00 4.36 H new ATOM 0 HE3 LYS A 48 16.648 -7.371 6.049 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 14.849 -8.825 6.033 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 14.168 -7.357 6.549 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 13.949 -7.879 4.948 1.00 4.90 H new ATOM 784 N ASP A 49 14.624 -2.681 1.227 1.00 2.76 N ATOM 785 CA ASP A 49 15.052 -2.767 -0.172 1.00 3.32 C ATOM 786 C ASP A 49 16.030 -3.913 -0.383 1.00 3.36 C ATOM 787 O ASP A 49 16.370 -4.253 -1.513 1.00 3.77 O ATOM 788 CB ASP A 49 15.680 -1.444 -0.631 1.00 4.26 C ATOM 789 CG ASP A 49 17.059 -1.199 -0.042 1.00 4.93 C ATOM 790 OD1 ASP A 49 18.066 -1.388 -0.761 1.00 5.45 O ATOM 791 OD2 ASP A 49 17.143 -0.826 1.145 1.00 5.24 O ATOM 0 H ASP A 49 14.957 -1.848 1.713 1.00 2.76 H new ATOM 0 HA ASP A 49 14.165 -2.962 -0.775 1.00 3.32 H new ATOM 0 HB2 ASP A 49 15.751 -1.441 -1.719 1.00 4.26 H new ATOM 0 HB3 ASP A 49 15.022 -0.621 -0.352 1.00 4.26 H new ATOM 796 N ASP A 50 16.476 -4.499 0.711 1.00 3.50 N ATOM 797 CA ASP A 50 17.307 -5.688 0.663 1.00 3.96 C ATOM 798 C ASP A 50 16.492 -6.885 1.133 1.00 4.13 C ATOM 799 O ASP A 50 16.839 -7.567 2.098 1.00 4.41 O ATOM 800 CB ASP A 50 18.561 -5.503 1.516 1.00 4.66 C ATOM 801 CG ASP A 50 19.530 -6.662 1.403 1.00 5.23 C ATOM 802 OD1 ASP A 50 19.965 -7.187 2.448 1.00 5.65 O ATOM 803 OD2 ASP A 50 19.854 -7.065 0.268 1.00 5.56 O ATOM 0 H ASP A 50 16.274 -4.167 1.654 1.00 3.50 H new ATOM 0 HA ASP A 50 17.634 -5.863 -0.362 1.00 3.96 H new ATOM 0 HB2 ASP A 50 19.065 -4.584 1.216 1.00 4.66 H new ATOM 0 HB3 ASP A 50 18.269 -5.381 2.559 1.00 4.66 H new ATOM 808 N GLY A 51 15.376 -7.108 0.456 1.00 4.42 N ATOM 809 CA GLY A 51 14.495 -8.200 0.811 1.00 5.01 C ATOM 810 C GLY A 51 14.271 -9.148 -0.344 1.00 5.12 C ATOM 811 O GLY A 51 13.336 -9.945 -0.326 1.00 5.72 O ATOM 0 H GLY A 51 15.064 -6.548 -0.338 1.00 4.42 H new ATOM 0 HA2 GLY A 51 14.919 -8.748 1.652 1.00 5.01 H new ATOM 0 HA3 GLY A 51 13.537 -7.799 1.142 1.00 5.01 H new ATOM 815 N THR A 52 15.143 -9.025 -1.341 1.00 4.86 N ATOM 816 CA THR A 52 15.145 -9.849 -2.557 1.00 5.25 C ATOM 817 C THR A 52 13.884 -9.685 -3.401 1.00 5.04 C ATOM 818 O THR A 52 12.755 -9.824 -2.929 1.00 4.76 O ATOM 819 CB THR A 52 15.417 -11.339 -2.292 1.00 5.76 C ATOM 820 OG1 THR A 52 14.407 -11.932 -1.470 1.00 5.54 O ATOM 821 CG2 THR A 52 16.780 -11.523 -1.648 1.00 6.40 C ATOM 0 H THR A 52 15.891 -8.331 -1.330 1.00 4.86 H new ATOM 0 HA THR A 52 15.985 -9.461 -3.134 1.00 5.25 H new ATOM 0 HB THR A 52 15.400 -11.845 -3.257 1.00 5.76 H new ATOM 0 HG1 THR A 52 13.705 -11.273 -1.287 1.00 5.54 H new ATOM 0 HG21 THR A 52 16.957 -12.583 -1.467 1.00 6.40 H new ATOM 0 HG22 THR A 52 17.552 -11.135 -2.313 1.00 6.40 H new ATOM 0 HG23 THR A 52 16.811 -10.983 -0.701 1.00 6.40 H new ATOM 829 N GLU A 53 14.096 -9.406 -4.677 1.00 5.50 N ATOM 830 CA GLU A 53 13.006 -9.168 -5.604 1.00 5.71 C ATOM 831 C GLU A 53 12.479 -10.480 -6.179 1.00 5.89 C ATOM 832 O GLU A 53 12.427 -10.671 -7.395 1.00 6.33 O ATOM 833 CB GLU A 53 13.467 -8.239 -6.723 1.00 6.53 C ATOM 834 CG GLU A 53 13.810 -6.840 -6.238 1.00 6.78 C ATOM 835 CD GLU A 53 14.134 -5.896 -7.374 1.00 7.39 C ATOM 836 OE1 GLU A 53 13.196 -5.416 -8.043 1.00 7.81 O ATOM 837 OE2 GLU A 53 15.330 -5.628 -7.605 1.00 7.67 O ATOM 0 H GLU A 53 15.024 -9.339 -5.096 1.00 5.50 H new ATOM 0 HA GLU A 53 12.190 -8.690 -5.061 1.00 5.71 H new ATOM 0 HB2 GLU A 53 14.341 -8.672 -7.209 1.00 6.53 H new ATOM 0 HB3 GLU A 53 12.683 -8.173 -7.477 1.00 6.53 H new ATOM 0 HG2 GLU A 53 12.972 -6.441 -5.667 1.00 6.78 H new ATOM 0 HG3 GLU A 53 14.662 -6.893 -5.560 1.00 6.78 H new ATOM 844 N ARG A 54 12.106 -11.387 -5.291 1.00 5.89 N ATOM 845 CA ARG A 54 11.508 -12.649 -5.693 1.00 6.41 C ATOM 846 C ARG A 54 9.990 -12.483 -5.788 1.00 5.90 C ATOM 847 O ARG A 54 9.318 -13.174 -6.559 1.00 6.48 O ATOM 848 CB ARG A 54 11.894 -13.745 -4.685 1.00 7.06 C ATOM 849 CG ARG A 54 11.582 -15.167 -5.136 1.00 7.90 C ATOM 850 CD ARG A 54 10.129 -15.537 -4.893 1.00 8.75 C ATOM 851 NE ARG A 54 9.790 -16.842 -5.457 1.00 9.31 N ATOM 852 CZ ARG A 54 8.810 -17.036 -6.338 1.00 10.15 C ATOM 853 NH1 ARG A 54 8.117 -16.001 -6.798 1.00 10.53 N ATOM 854 NH2 ARG A 54 8.529 -18.259 -6.770 1.00 10.77 N ATOM 0 H ARG A 54 12.208 -11.272 -4.283 1.00 5.89 H new ATOM 0 HA ARG A 54 11.880 -12.947 -6.673 1.00 6.41 H new ATOM 0 HB2 ARG A 54 12.962 -13.670 -4.479 1.00 7.06 H new ATOM 0 HB3 ARG A 54 11.375 -13.554 -3.746 1.00 7.06 H new ATOM 0 HG2 ARG A 54 11.809 -15.268 -6.197 1.00 7.90 H new ATOM 0 HG3 ARG A 54 12.228 -15.866 -4.604 1.00 7.90 H new ATOM 0 HD2 ARG A 54 9.932 -15.544 -3.821 1.00 8.75 H new ATOM 0 HD3 ARG A 54 9.484 -14.775 -5.331 1.00 8.75 H new ATOM 0 HE ARG A 54 10.335 -17.651 -5.159 1.00 9.31 H new ATOM 0 HH11 ARG A 54 8.335 -15.058 -6.477 1.00 10.53 H new ATOM 0 HH12 ARG A 54 7.366 -16.149 -7.473 1.00 10.53 H new ATOM 0 HH21 ARG A 54 9.065 -19.057 -6.427 1.00 10.77 H new ATOM 0 HH22 ARG A 54 7.777 -18.401 -7.445 1.00 10.77 H new ATOM 868 N SER A 55 9.468 -11.545 -5.012 1.00 5.08 N ATOM 869 CA SER A 55 8.039 -11.267 -4.974 1.00 4.86 C ATOM 870 C SER A 55 7.806 -9.910 -4.317 1.00 3.87 C ATOM 871 O SER A 55 7.250 -9.827 -3.226 1.00 3.94 O ATOM 872 CB SER A 55 7.307 -12.371 -4.198 1.00 5.52 C ATOM 873 OG SER A 55 5.898 -12.184 -4.208 1.00 6.28 O ATOM 0 H SER A 55 10.022 -10.955 -4.391 1.00 5.08 H new ATOM 0 HA SER A 55 7.646 -11.244 -5.990 1.00 4.86 H new ATOM 0 HB2 SER A 55 7.547 -13.341 -4.634 1.00 5.52 H new ATOM 0 HB3 SER A 55 7.663 -12.387 -3.168 1.00 5.52 H new ATOM 0 HG SER A 55 5.468 -12.907 -3.705 1.00 6.28 H new ATOM 879 N ARG A 56 8.249 -8.857 -4.998 1.00 3.37 N ATOM 880 CA ARG A 56 8.230 -7.494 -4.460 1.00 2.70 C ATOM 881 C ARG A 56 6.843 -7.046 -4.014 1.00 2.24 C ATOM 882 O ARG A 56 5.846 -7.767 -4.107 1.00 2.47 O ATOM 883 CB ARG A 56 8.760 -6.508 -5.505 1.00 3.43 C ATOM 884 CG ARG A 56 7.901 -6.425 -6.762 1.00 4.15 C ATOM 885 CD ARG A 56 8.147 -5.134 -7.529 1.00 4.75 C ATOM 886 NE ARG A 56 9.566 -4.893 -7.786 1.00 5.53 N ATOM 887 CZ ARG A 56 10.044 -3.767 -8.315 1.00 6.18 C ATOM 888 NH1 ARG A 56 9.214 -2.821 -8.739 1.00 6.21 N ATOM 889 NH2 ARG A 56 11.351 -3.595 -8.452 1.00 7.08 N ATOM 0 H ARG A 56 8.633 -8.922 -5.941 1.00 3.37 H new ATOM 0 HA ARG A 56 8.871 -7.503 -3.579 1.00 2.70 H new ATOM 0 HB2 ARG A 56 8.827 -5.517 -5.055 1.00 3.43 H new ATOM 0 HB3 ARG A 56 9.772 -6.799 -5.786 1.00 3.43 H new ATOM 0 HG2 ARG A 56 8.116 -7.277 -7.406 1.00 4.15 H new ATOM 0 HG3 ARG A 56 6.848 -6.490 -6.488 1.00 4.15 H new ATOM 0 HD2 ARG A 56 7.611 -5.172 -8.478 1.00 4.75 H new ATOM 0 HD3 ARG A 56 7.737 -4.297 -6.964 1.00 4.75 H new ATOM 0 HE ARG A 56 10.229 -5.630 -7.546 1.00 5.53 H new ATOM 0 HH11 ARG A 56 8.206 -2.954 -8.660 1.00 6.21 H new ATOM 0 HH12 ARG A 56 9.585 -1.961 -9.143 1.00 6.21 H new ATOM 0 HH21 ARG A 56 11.996 -4.326 -8.152 1.00 7.08 H new ATOM 0 HH22 ARG A 56 11.712 -2.731 -8.857 1.00 7.08 H new ATOM 903 N TRP A 57 6.806 -5.801 -3.596 1.00 1.83 N ATOM 904 CA TRP A 57 5.768 -5.297 -2.740 1.00 1.49 C ATOM 905 C TRP A 57 4.578 -4.782 -3.500 1.00 1.19 C ATOM 906 O TRP A 57 4.648 -3.778 -4.211 1.00 1.43 O ATOM 907 CB TRP A 57 6.375 -4.214 -1.872 1.00 1.69 C ATOM 908 CG TRP A 57 7.643 -4.698 -1.267 1.00 1.83 C ATOM 909 CD1 TRP A 57 7.750 -5.403 -0.124 1.00 1.56 C ATOM 910 CD2 TRP A 57 8.974 -4.573 -1.794 1.00 2.78 C ATOM 911 NE1 TRP A 57 9.050 -5.735 0.102 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.830 -5.229 -0.898 1.00 2.70 C ATOM 913 CE3 TRP A 57 9.525 -3.970 -2.928 1.00 3.91 C ATOM 914 CZ2 TRP A 57 11.206 -5.306 -1.096 1.00 3.65 C ATOM 915 CZ3 TRP A 57 10.893 -4.044 -3.125 1.00 4.90 C ATOM 916 CH2 TRP A 57 11.720 -4.708 -2.212 1.00 4.75 C ATOM 0 H TRP A 57 7.508 -5.105 -3.847 1.00 1.83 H new ATOM 0 HA TRP A 57 5.385 -6.114 -2.129 1.00 1.49 H new ATOM 0 HB2 TRP A 57 6.565 -3.322 -2.469 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.674 -3.930 -1.088 1.00 1.69 H new ATOM 0 HD1 TRP A 57 6.924 -5.666 0.520 1.00 1.56 H new ATOM 0 HE1 TRP A 57 9.389 -6.278 0.896 1.00 1.85 H new ATOM 0 HE3 TRP A 57 8.895 -3.455 -3.638 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 11.844 -5.820 -0.393 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 11.330 -3.582 -3.998 1.00 4.90 H new ATOM 0 HH2 TRP A 57 12.784 -4.749 -2.393 1.00 4.75 H new ATOM 927 N ASN A 58 3.480 -5.477 -3.319 1.00 0.91 N ATOM 928 CA ASN A 58 2.211 -5.063 -3.868 1.00 0.71 C ATOM 929 C ASN A 58 1.126 -5.207 -2.815 1.00 0.59 C ATOM 930 O ASN A 58 1.192 -6.087 -1.954 1.00 0.71 O ATOM 931 CB ASN A 58 1.858 -5.860 -5.134 1.00 0.74 C ATOM 932 CG ASN A 58 2.034 -7.366 -4.990 1.00 1.23 C ATOM 933 OD1 ASN A 58 1.881 -7.941 -3.912 1.00 2.05 O ATOM 934 ND2 ASN A 58 2.358 -8.019 -6.094 1.00 1.91 N ATOM 0 H ASN A 58 3.441 -6.346 -2.786 1.00 0.91 H new ATOM 0 HA ASN A 58 2.286 -4.015 -4.159 1.00 0.71 H new ATOM 0 HB2 ASN A 58 0.823 -5.650 -5.406 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.481 -5.509 -5.957 1.00 0.74 H new ATOM 0 HD21 ASN A 58 2.489 -9.030 -6.069 1.00 1.91 H new ATOM 0 HD22 ASN A 58 2.477 -7.511 -6.971 1.00 1.91 H new ATOM 941 N CYS A 59 0.161 -4.313 -2.854 1.00 0.55 N ATOM 942 CA CYS A 59 -0.981 -4.399 -1.972 1.00 0.50 C ATOM 943 C CYS A 59 -2.207 -4.762 -2.789 1.00 0.44 C ATOM 944 O CYS A 59 -2.465 -4.164 -3.833 1.00 0.56 O ATOM 945 CB CYS A 59 -1.211 -3.088 -1.222 1.00 0.60 C ATOM 946 SG CYS A 59 0.186 -2.577 -0.171 1.00 0.76 S ATOM 0 H CYS A 59 0.146 -3.516 -3.490 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.790 -5.169 -1.225 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.415 -2.299 -1.946 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -2.101 -3.189 -0.601 1.00 0.60 H new ATOM 951 N LEU A 60 -2.957 -5.732 -2.313 1.00 0.36 N ATOM 952 CA LEU A 60 -4.051 -6.283 -3.059 1.00 0.34 C ATOM 953 C LEU A 60 -5.317 -6.054 -2.275 1.00 0.29 C ATOM 954 O LEU A 60 -5.442 -6.526 -1.150 1.00 0.32 O ATOM 955 CB LEU A 60 -3.861 -7.788 -3.288 1.00 0.44 C ATOM 956 CG LEU A 60 -2.604 -8.240 -4.056 1.00 1.27 C ATOM 957 CD1 LEU A 60 -2.345 -7.357 -5.259 1.00 1.90 C ATOM 958 CD2 LEU A 60 -1.384 -8.292 -3.151 1.00 1.85 C ATOM 0 H LEU A 60 -2.820 -6.157 -1.396 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.102 -5.797 -4.033 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -3.854 -8.278 -2.314 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.734 -8.159 -3.825 1.00 0.44 H new ATOM 0 HG LEU A 60 -2.794 -9.251 -4.416 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -1.451 -7.703 -5.779 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -3.199 -7.404 -5.935 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -2.198 -6.328 -4.930 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -0.517 -8.615 -3.727 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -1.196 -7.302 -2.736 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -1.563 -8.997 -2.339 1.00 1.85 H new ATOM 970 N PHE A 61 -6.249 -5.333 -2.844 1.00 0.29 N ATOM 971 CA PHE A 61 -7.456 -5.019 -2.116 1.00 0.28 C ATOM 972 C PHE A 61 -8.581 -5.937 -2.564 1.00 0.37 C ATOM 973 O PHE A 61 -8.992 -5.909 -3.725 1.00 0.48 O ATOM 974 CB PHE A 61 -7.855 -3.558 -2.315 1.00 0.32 C ATOM 975 CG PHE A 61 -6.894 -2.567 -1.728 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.635 -2.393 -2.281 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.256 -1.782 -0.647 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.765 -1.462 -1.768 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.389 -0.854 -0.138 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.143 -0.686 -0.698 1.00 0.37 C ATOM 0 H PHE A 61 -6.200 -4.957 -3.791 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.267 -5.173 -1.054 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.952 -3.363 -3.383 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.838 -3.399 -1.872 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.335 -2.996 -3.125 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.232 -1.903 -0.201 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.785 -1.340 -2.205 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.684 -0.250 0.708 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.464 0.053 -0.298 1.00 0.37 H new ATOM 990 N ARG A 62 -9.097 -6.713 -1.629 1.00 0.47 N ATOM 991 CA ARG A 62 -9.992 -7.818 -1.943 1.00 0.66 C ATOM 992 C ARG A 62 -11.068 -7.925 -0.868 1.00 0.89 C ATOM 993 O ARG A 62 -11.118 -7.096 0.042 1.00 1.05 O ATOM 994 CB ARG A 62 -9.195 -9.123 -2.010 1.00 0.84 C ATOM 995 CG ARG A 62 -8.686 -9.600 -0.660 1.00 1.49 C ATOM 996 CD ARG A 62 -7.898 -10.890 -0.789 1.00 1.88 C ATOM 997 NE ARG A 62 -7.784 -11.582 0.492 1.00 2.29 N ATOM 998 CZ ARG A 62 -6.996 -12.632 0.707 1.00 2.86 C ATOM 999 NH1 ARG A 62 -6.183 -13.065 -0.249 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -7.014 -13.240 1.887 1.00 3.63 N ATOM 0 H ARG A 62 -8.910 -6.598 -0.633 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.465 -7.637 -2.908 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -9.823 -9.900 -2.446 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -8.346 -8.986 -2.680 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -8.056 -8.830 -0.214 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -9.528 -9.752 0.015 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -8.384 -11.543 -1.514 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -6.902 -10.672 -1.175 1.00 1.88 H new ATOM 0 HE ARG A 62 -8.344 -11.238 1.272 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -6.161 -12.592 -1.153 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -5.580 -13.870 -0.080 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -7.631 -12.902 2.626 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -6.411 -14.045 2.055 1.00 3.63 H new ATOM 1014 N GLN A 63 -11.932 -8.931 -0.974 1.00 1.13 N ATOM 1015 CA GLN A 63 -12.960 -9.153 0.040 1.00 1.48 C ATOM 1016 C GLN A 63 -13.588 -10.542 -0.088 1.00 2.09 C ATOM 1017 O GLN A 63 -14.046 -11.118 0.898 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.048 -8.076 -0.058 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.072 -8.131 1.066 1.00 2.15 C ATOM 1020 CD GLN A 63 -14.450 -7.948 2.437 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -14.076 -8.917 3.104 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -14.334 -6.705 2.868 1.00 3.03 N ATOM 0 H GLN A 63 -11.942 -9.600 -1.744 1.00 1.13 H new ATOM 0 HA GLN A 63 -12.478 -9.090 1.015 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.575 -7.094 -0.058 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.564 -8.181 -1.012 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -15.822 -7.357 0.906 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.591 -9.089 1.032 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -14.655 -5.931 2.286 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -13.923 -6.519 3.783 1.00 3.03 H new ATOM 1031 N GLY A 64 -13.599 -11.076 -1.301 1.00 2.55 N ATOM 1032 CA GLY A 64 -14.279 -12.331 -1.552 1.00 3.28 C ATOM 1033 C GLY A 64 -15.704 -12.086 -1.982 1.00 3.41 C ATOM 1034 O GLY A 64 -16.460 -11.414 -1.278 1.00 3.88 O ATOM 0 H GLY A 64 -13.149 -10.662 -2.117 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -13.751 -12.889 -2.325 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -14.266 -12.945 -0.651 1.00 3.28 H new ATOM 1038 N ILE A 65 -16.075 -12.619 -3.134 1.00 3.49 N ATOM 1039 CA ILE A 65 -17.313 -12.221 -3.774 1.00 3.94 C ATOM 1040 C ILE A 65 -17.566 -13.097 -5.018 1.00 4.01 C ATOM 1041 O ILE A 65 -16.989 -14.179 -5.126 1.00 4.32 O ATOM 1042 CB ILE A 65 -17.210 -10.712 -4.114 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -18.566 -10.065 -4.436 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -16.242 -10.529 -5.247 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -19.627 -10.313 -3.385 1.00 5.57 C ATOM 0 H ILE A 65 -15.539 -13.324 -3.641 1.00 3.49 H new ATOM 0 HA ILE A 65 -18.168 -12.369 -3.114 1.00 3.94 H new ATOM 0 HB ILE A 65 -16.847 -10.198 -3.224 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -18.427 -8.990 -4.552 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -18.921 -10.445 -5.394 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -16.164 -9.470 -5.492 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -15.262 -10.906 -4.953 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -16.595 -11.078 -6.120 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -20.555 -9.825 -3.683 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -19.796 -11.385 -3.285 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -19.294 -9.907 -2.429 1.00 5.57 H new ATOM 1057 N ASN A 66 -18.483 -12.660 -5.884 1.00 4.06 N ATOM 1058 CA ASN A 66 -18.745 -13.251 -7.210 1.00 4.27 C ATOM 1059 C ASN A 66 -17.463 -13.394 -8.050 1.00 4.09 C ATOM 1060 O ASN A 66 -16.402 -13.735 -7.537 1.00 4.26 O ATOM 1061 CB ASN A 66 -19.747 -12.369 -7.967 1.00 4.76 C ATOM 1062 CG ASN A 66 -20.996 -12.069 -7.162 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -21.038 -11.096 -6.408 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -22.020 -12.889 -7.321 1.00 6.08 N ATOM 0 H ASN A 66 -19.085 -11.862 -5.681 1.00 4.06 H new ATOM 0 HA ASN A 66 -19.150 -14.250 -7.051 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -19.263 -11.431 -8.240 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -20.030 -12.864 -8.896 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -22.887 -12.727 -6.809 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -21.943 -13.684 -7.956 1.00 6.08 H new ATOM 1071 N MET A 67 -17.601 -13.216 -9.366 1.00 4.09 N ATOM 1072 CA MET A 67 -16.459 -13.177 -10.304 1.00 4.13 C ATOM 1073 C MET A 67 -15.259 -12.363 -9.777 1.00 3.60 C ATOM 1074 O MET A 67 -14.150 -12.478 -10.306 1.00 3.77 O ATOM 1075 CB MET A 67 -16.911 -12.619 -11.663 1.00 4.54 C ATOM 1076 CG MET A 67 -18.025 -11.580 -11.575 1.00 5.19 C ATOM 1077 SD MET A 67 -17.574 -10.096 -10.650 1.00 6.00 S ATOM 1078 CE MET A 67 -16.447 -9.312 -11.799 1.00 6.30 C ATOM 0 H MET A 67 -18.506 -13.094 -9.819 1.00 4.09 H new ATOM 0 HA MET A 67 -16.115 -14.206 -10.413 1.00 4.13 H new ATOM 0 HB2 MET A 67 -16.052 -12.172 -12.163 1.00 4.54 H new ATOM 0 HB3 MET A 67 -17.249 -13.446 -12.288 1.00 4.54 H new ATOM 0 HG2 MET A 67 -18.319 -11.291 -12.584 1.00 5.19 H new ATOM 0 HG3 MET A 67 -18.897 -12.036 -11.107 1.00 5.19 H new ATOM 0 HE1 MET A 67 -16.192 -8.316 -11.436 1.00 6.30 H new ATOM 0 HE2 MET A 67 -15.540 -9.911 -11.885 1.00 6.30 H new ATOM 0 HE3 MET A 67 -16.922 -9.231 -12.777 1.00 6.30 H new ATOM 1088 N LYS A 68 -15.508 -11.545 -8.749 1.00 3.30 N ATOM 1089 CA LYS A 68 -14.483 -10.834 -7.978 1.00 3.12 C ATOM 1090 C LYS A 68 -14.140 -9.493 -8.587 1.00 2.78 C ATOM 1091 O LYS A 68 -13.991 -9.347 -9.799 1.00 3.25 O ATOM 1092 CB LYS A 68 -13.215 -11.647 -7.770 1.00 3.71 C ATOM 1093 CG LYS A 68 -13.438 -13.018 -7.152 1.00 4.30 C ATOM 1094 CD LYS A 68 -12.140 -13.804 -7.038 1.00 4.85 C ATOM 1095 CE LYS A 68 -11.433 -13.938 -8.381 1.00 5.37 C ATOM 1096 NZ LYS A 68 -12.314 -14.532 -9.421 1.00 5.81 N ATOM 0 H LYS A 68 -16.455 -11.354 -8.421 1.00 3.30 H new ATOM 0 HA LYS A 68 -14.931 -10.670 -6.998 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -12.718 -11.773 -8.732 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -12.536 -11.081 -7.132 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -13.882 -12.903 -6.163 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -14.150 -13.578 -7.758 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -11.478 -13.309 -6.328 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -12.351 -14.796 -6.639 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -11.094 -12.956 -8.711 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -10.545 -14.558 -8.262 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -11.734 -14.870 -10.216 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -12.842 -15.330 -9.014 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -12.983 -13.812 -9.762 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.018 -8.514 -7.711 1.00 2.52 N ATOM 1111 CA PHE A 69 -13.708 -7.157 -8.099 1.00 2.44 C ATOM 1112 C PHE A 69 -12.208 -6.928 -8.021 1.00 2.04 C ATOM 1113 O PHE A 69 -11.509 -7.099 -9.016 1.00 2.83 O ATOM 1114 CB PHE A 69 -14.501 -6.195 -7.219 1.00 3.01 C ATOM 1115 CG PHE A 69 -15.989 -6.364 -7.352 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -16.618 -6.159 -8.570 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -16.760 -6.725 -6.258 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -17.986 -6.311 -8.696 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -18.129 -6.878 -6.377 1.00 5.20 C ATOM 1120 CZ PHE A 69 -18.741 -6.671 -7.597 1.00 6.01 C ATOM 0 H PHE A 69 -14.132 -8.642 -6.705 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.000 -6.975 -9.133 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -14.216 -6.346 -6.178 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.233 -5.171 -7.478 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -16.032 -5.877 -9.432 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -16.286 -6.889 -5.302 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -18.463 -6.149 -9.651 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -18.719 -7.159 -5.517 1.00 5.20 H new ATOM 0 HZ PHE A 69 -19.810 -6.791 -7.692 1.00 6.01 H new ATOM 1130 N PHE A 70 -11.734 -6.523 -6.850 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.306 -6.587 -6.511 1.00 0.92 C ATOM 1132 C PHE A 70 -9.483 -5.474 -7.169 1.00 0.79 C ATOM 1133 O PHE A 70 -9.838 -4.952 -8.221 1.00 1.19 O ATOM 1134 CB PHE A 70 -9.803 -7.953 -6.921 1.00 1.37 C ATOM 1135 CG PHE A 70 -8.411 -8.227 -6.524 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.090 -8.251 -5.201 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -7.428 -8.464 -7.464 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -6.826 -8.503 -4.796 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -6.144 -8.719 -7.072 1.00 3.59 C ATOM 1140 CZ PHE A 70 -5.832 -8.742 -5.730 1.00 3.63 C ATOM 0 H PHE A 70 -12.320 -6.142 -6.107 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.188 -6.433 -5.438 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -10.450 -8.713 -6.483 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -9.886 -8.049 -8.004 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -8.858 -8.066 -4.464 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -7.675 -8.448 -8.515 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -6.590 -8.518 -3.742 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -5.377 -8.902 -7.810 1.00 3.59 H new ATOM 0 HZ PHE A 70 -4.821 -8.945 -5.409 1.00 3.63 H new ATOM 1150 N THR A 71 -8.397 -5.101 -6.506 1.00 0.58 N ATOM 1151 CA THR A 71 -7.448 -4.128 -7.040 1.00 0.49 C ATOM 1152 C THR A 71 -6.067 -4.405 -6.498 1.00 0.40 C ATOM 1153 O THR A 71 -5.906 -5.076 -5.479 1.00 0.49 O ATOM 1154 CB THR A 71 -7.863 -2.656 -6.784 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.662 -1.899 -7.981 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.083 -1.987 -5.640 1.00 0.48 C ATOM 0 H THR A 71 -8.148 -5.462 -5.585 1.00 0.58 H new ATOM 0 HA THR A 71 -7.445 -4.249 -8.123 1.00 0.49 H new ATOM 0 HB THR A 71 -8.912 -2.673 -6.488 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.204 -1.083 -7.947 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.426 -0.960 -5.518 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.251 -2.538 -4.715 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.019 -1.989 -5.876 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.081 -3.889 -7.190 1.00 0.49 N ATOM 1165 CA GLU A 72 -3.714 -4.267 -6.960 1.00 0.45 C ATOM 1166 C GLU A 72 -2.799 -3.058 -7.157 1.00 0.47 C ATOM 1167 O GLU A 72 -2.728 -2.489 -8.249 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.396 -5.397 -7.936 1.00 0.63 C ATOM 1169 CG GLU A 72 -1.922 -5.557 -8.279 1.00 1.19 C ATOM 1170 CD GLU A 72 -1.662 -6.775 -9.143 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -0.939 -7.687 -8.690 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -2.192 -6.840 -10.273 1.00 1.80 O ATOM 0 H GLU A 72 -5.207 -3.196 -7.928 1.00 0.49 H new ATOM 0 HA GLU A 72 -3.555 -4.612 -5.938 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -3.759 -6.334 -7.514 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -3.951 -5.227 -8.858 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -1.573 -4.665 -8.798 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -1.344 -5.637 -7.359 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.129 -2.649 -6.091 1.00 0.44 N ATOM 1180 CA VAL A 73 -1.294 -1.455 -6.122 1.00 0.52 C ATOM 1181 C VAL A 73 0.141 -1.799 -5.743 1.00 0.64 C ATOM 1182 O VAL A 73 0.386 -2.809 -5.088 1.00 0.76 O ATOM 1183 CB VAL A 73 -1.795 -0.381 -5.138 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -1.437 1.011 -5.637 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.287 -0.494 -4.901 1.00 0.53 C ATOM 0 H VAL A 73 -2.146 -3.127 -5.190 1.00 0.44 H new ATOM 0 HA VAL A 73 -1.343 -1.066 -7.139 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.295 -0.549 -4.184 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -1.799 1.756 -4.928 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -0.354 1.096 -5.731 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -1.900 1.179 -6.609 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -3.604 0.280 -4.202 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -3.816 -0.368 -5.846 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.516 -1.475 -4.485 1.00 0.53 H new ATOM 1195 N GLU A 74 1.081 -0.958 -6.153 1.00 0.80 N ATOM 1196 CA GLU A 74 2.465 -1.095 -5.724 1.00 0.96 C ATOM 1197 C GLU A 74 2.605 -0.672 -4.269 1.00 0.98 C ATOM 1198 O GLU A 74 2.347 0.479 -3.925 1.00 1.16 O ATOM 1199 CB GLU A 74 3.396 -0.242 -6.591 1.00 1.24 C ATOM 1200 CG GLU A 74 3.933 -0.949 -7.825 1.00 1.49 C ATOM 1201 CD GLU A 74 2.854 -1.358 -8.804 1.00 1.71 C ATOM 1202 OE1 GLU A 74 2.608 -2.573 -8.948 1.00 2.25 O ATOM 1203 OE2 GLU A 74 2.224 -0.465 -9.405 1.00 2.02 O ATOM 0 H GLU A 74 0.910 -0.174 -6.782 1.00 0.80 H new ATOM 0 HA GLU A 74 2.748 -2.142 -5.831 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.860 0.653 -6.905 1.00 1.24 H new ATOM 0 HB3 GLU A 74 4.238 0.088 -5.982 1.00 1.24 H new ATOM 0 HG2 GLU A 74 4.641 -0.293 -8.331 1.00 1.49 H new ATOM 0 HG3 GLU A 74 4.486 -1.836 -7.514 1.00 1.49 H new ATOM 1210 N ALA A 75 3.017 -1.607 -3.425 1.00 1.06 N ATOM 1211 CA ALA A 75 3.214 -1.332 -2.009 1.00 1.12 C ATOM 1212 C ALA A 75 4.504 -0.580 -1.818 1.00 1.43 C ATOM 1213 O ALA A 75 4.623 0.271 -0.944 1.00 1.80 O ATOM 1214 CB ALA A 75 3.282 -2.620 -1.215 1.00 1.02 C ATOM 0 H ALA A 75 3.222 -2.568 -3.698 1.00 1.06 H new ATOM 0 HA ALA A 75 2.371 -0.738 -1.655 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.430 -2.390 -0.160 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.351 -3.173 -1.339 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.114 -3.225 -1.574 1.00 1.02 H new ATOM 1220 N TYR A 76 5.473 -0.931 -2.639 1.00 1.71 N ATOM 1221 CA TYR A 76 6.785 -0.334 -2.565 1.00 2.10 C ATOM 1222 C TYR A 76 7.547 -0.598 -3.853 1.00 2.93 C ATOM 1223 O TYR A 76 8.062 -1.691 -4.072 1.00 3.37 O ATOM 1224 CB TYR A 76 7.540 -0.893 -1.352 1.00 2.06 C ATOM 1225 CG TYR A 76 8.955 -0.362 -1.197 1.00 2.42 C ATOM 1226 CD1 TYR A 76 10.040 -1.225 -1.105 1.00 3.02 C ATOM 1227 CD2 TYR A 76 9.204 1.004 -1.144 1.00 2.63 C ATOM 1228 CE1 TYR A 76 11.324 -0.745 -0.961 1.00 3.55 C ATOM 1229 CE2 TYR A 76 10.486 1.491 -1.003 1.00 3.23 C ATOM 1230 CZ TYR A 76 11.549 0.602 -0.916 1.00 3.62 C ATOM 1231 OH TYR A 76 12.825 1.097 -0.770 1.00 4.28 O ATOM 0 H TYR A 76 5.371 -1.634 -3.371 1.00 1.71 H new ATOM 0 HA TYR A 76 6.689 0.745 -2.442 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.976 -0.660 -0.449 1.00 2.06 H new ATOM 0 HB3 TYR A 76 7.579 -1.979 -1.432 1.00 2.06 H new ATOM 0 HD1 TYR A 76 9.874 -2.291 -1.147 1.00 3.02 H new ATOM 0 HD2 TYR A 76 8.378 1.697 -1.215 1.00 2.63 H new ATOM 0 HE1 TYR A 76 12.152 -1.434 -0.884 1.00 3.55 H new ATOM 0 HE2 TYR A 76 10.662 2.556 -0.961 1.00 3.23 H new ATOM 0 HH TYR A 76 12.797 2.077 -0.759 1.00 4.28 H new ATOM 1241 N ARG A 77 7.572 0.395 -4.725 1.00 3.45 N ATOM 1242 CA ARG A 77 8.337 0.306 -5.953 1.00 4.39 C ATOM 1243 C ARG A 77 9.592 1.161 -5.832 1.00 4.69 C ATOM 1244 O ARG A 77 9.546 2.378 -6.006 1.00 4.62 O ATOM 1245 CB ARG A 77 7.493 0.750 -7.152 1.00 5.09 C ATOM 1246 CG ARG A 77 8.236 0.671 -8.476 1.00 5.52 C ATOM 1247 CD ARG A 77 7.332 1.009 -9.648 1.00 6.16 C ATOM 1248 NE ARG A 77 8.065 1.000 -10.912 1.00 6.62 N ATOM 1249 CZ ARG A 77 7.494 0.891 -12.110 1.00 7.29 C ATOM 1250 NH1 ARG A 77 6.180 0.749 -12.214 1.00 7.66 N ATOM 1251 NH2 ARG A 77 8.246 0.920 -13.202 1.00 7.82 N ATOM 0 H ARG A 77 7.069 1.274 -4.603 1.00 3.45 H new ATOM 0 HA ARG A 77 8.627 -0.732 -6.117 1.00 4.39 H new ATOM 0 HB2 ARG A 77 6.599 0.128 -7.208 1.00 5.09 H new ATOM 0 HB3 ARG A 77 7.159 1.775 -6.992 1.00 5.09 H new ATOM 0 HG2 ARG A 77 9.083 1.357 -8.460 1.00 5.52 H new ATOM 0 HG3 ARG A 77 8.641 -0.332 -8.607 1.00 5.52 H new ATOM 0 HD2 ARG A 77 6.514 0.291 -9.696 1.00 6.16 H new ATOM 0 HD3 ARG A 77 6.885 1.991 -9.493 1.00 6.16 H new ATOM 0 HE ARG A 77 9.081 1.083 -10.874 1.00 6.62 H new ATOM 0 HH11 ARG A 77 5.602 0.723 -11.374 1.00 7.66 H new ATOM 0 HH12 ARG A 77 5.747 0.666 -13.134 1.00 7.66 H new ATOM 0 HH21 ARG A 77 9.257 1.025 -13.122 1.00 7.82 H new ATOM 0 HH22 ARG A 77 7.813 0.837 -14.122 1.00 7.82 H new ATOM 1265 N PRO A 78 10.727 0.532 -5.510 1.00 5.32 N ATOM 1266 CA PRO A 78 11.976 1.247 -5.271 1.00 5.79 C ATOM 1267 C PRO A 78 12.558 1.848 -6.545 1.00 6.24 C ATOM 1268 O PRO A 78 13.128 1.138 -7.380 1.00 6.84 O ATOM 1269 CB PRO A 78 12.898 0.173 -4.701 1.00 6.56 C ATOM 1270 CG PRO A 78 12.375 -1.110 -5.243 1.00 6.72 C ATOM 1271 CD PRO A 78 10.887 -0.928 -5.369 1.00 5.88 C ATOM 0 HA PRO A 78 11.838 2.098 -4.604 1.00 5.79 H new ATOM 0 HB2 PRO A 78 13.932 0.338 -5.005 1.00 6.56 H new ATOM 0 HB3 PRO A 78 12.882 0.177 -3.611 1.00 6.56 H new ATOM 0 HG2 PRO A 78 12.824 -1.338 -6.210 1.00 6.72 H new ATOM 0 HG3 PRO A 78 12.612 -1.941 -4.578 1.00 6.72 H new ATOM 0 HD2 PRO A 78 10.490 -1.460 -6.233 1.00 5.88 H new ATOM 0 HD3 PRO A 78 10.361 -1.306 -4.492 1.00 5.88 H new ATOM 1279 N ASP A 79 12.387 3.157 -6.696 1.00 6.17 N ATOM 1280 CA ASP A 79 12.979 3.891 -7.808 1.00 6.76 C ATOM 1281 C ASP A 79 14.478 3.629 -7.853 1.00 6.75 C ATOM 1282 O ASP A 79 15.160 3.684 -6.832 1.00 6.33 O ATOM 1283 CB ASP A 79 12.709 5.379 -7.663 1.00 6.97 C ATOM 1284 CG ASP A 79 13.075 6.135 -8.914 1.00 7.82 C ATOM 1285 OD1 ASP A 79 14.278 6.363 -9.147 1.00 8.31 O ATOM 1286 OD2 ASP A 79 12.159 6.498 -9.677 1.00 8.19 O ATOM 0 H ASP A 79 11.840 3.734 -6.058 1.00 6.17 H new ATOM 0 HA ASP A 79 12.528 3.549 -8.740 1.00 6.76 H new ATOM 0 HB2 ASP A 79 11.654 5.537 -7.437 1.00 6.97 H new ATOM 0 HB3 ASP A 79 13.278 5.772 -6.820 1.00 6.97 H new ATOM 1291 N LEU A 80 14.979 3.326 -9.039 1.00 7.42 N ATOM 1292 CA LEU A 80 16.336 2.823 -9.191 1.00 7.70 C ATOM 1293 C LEU A 80 17.379 3.888 -8.923 1.00 7.67 C ATOM 1294 O LEU A 80 18.457 3.611 -8.397 1.00 7.65 O ATOM 1295 CB LEU A 80 16.515 2.226 -10.586 1.00 8.65 C ATOM 1296 CG LEU A 80 17.825 1.473 -10.825 1.00 9.25 C ATOM 1297 CD1 LEU A 80 17.954 0.295 -9.870 1.00 9.43 C ATOM 1298 CD2 LEU A 80 17.901 1.000 -12.268 1.00 9.75 C ATOM 0 H LEU A 80 14.464 3.420 -9.915 1.00 7.42 H new ATOM 0 HA LEU A 80 16.486 2.044 -8.443 1.00 7.70 H new ATOM 0 HB2 LEU A 80 15.686 1.545 -10.778 1.00 8.65 H new ATOM 0 HB3 LEU A 80 16.442 3.031 -11.317 1.00 8.65 H new ATOM 0 HG LEU A 80 18.654 2.154 -10.635 1.00 9.25 H new ATOM 0 HD11 LEU A 80 18.893 -0.225 -10.059 1.00 9.43 H new ATOM 0 HD12 LEU A 80 17.940 0.657 -8.842 1.00 9.43 H new ATOM 0 HD13 LEU A 80 17.122 -0.391 -10.024 1.00 9.43 H new ATOM 0 HD21 LEU A 80 18.837 0.465 -12.427 1.00 9.75 H new ATOM 0 HD22 LEU A 80 17.063 0.335 -12.477 1.00 9.75 H new ATOM 0 HD23 LEU A 80 17.857 1.860 -12.936 1.00 9.75 H new ATOM 1310 N LYS A 81 17.050 5.091 -9.293 1.00 7.90 N ATOM 1311 CA LYS A 81 17.958 6.221 -9.125 1.00 8.21 C ATOM 1312 C LYS A 81 17.699 6.974 -7.820 1.00 7.50 C ATOM 1313 O LYS A 81 18.624 7.523 -7.224 1.00 7.67 O ATOM 1314 CB LYS A 81 17.920 7.179 -10.331 1.00 9.15 C ATOM 1315 CG LYS A 81 16.548 7.377 -10.962 1.00 9.83 C ATOM 1316 CD LYS A 81 16.209 6.253 -11.934 1.00 10.54 C ATOM 1317 CE LYS A 81 14.807 6.402 -12.500 1.00 11.27 C ATOM 1318 NZ LYS A 81 14.670 7.607 -13.357 1.00 11.75 N ATOM 0 H LYS A 81 16.154 5.330 -9.718 1.00 7.90 H new ATOM 0 HA LYS A 81 18.963 5.802 -9.070 1.00 8.21 H new ATOM 0 HB2 LYS A 81 18.300 8.150 -10.014 1.00 9.15 H new ATOM 0 HB3 LYS A 81 18.602 6.803 -11.094 1.00 9.15 H new ATOM 0 HG2 LYS A 81 15.790 7.423 -10.180 1.00 9.83 H new ATOM 0 HG3 LYS A 81 16.523 8.332 -11.487 1.00 9.83 H new ATOM 0 HD2 LYS A 81 16.932 6.247 -12.750 1.00 10.54 H new ATOM 0 HD3 LYS A 81 16.296 5.293 -11.425 1.00 10.54 H new ATOM 0 HE2 LYS A 81 14.556 5.515 -13.082 1.00 11.27 H new ATOM 0 HE3 LYS A 81 14.091 6.459 -11.680 1.00 11.27 H new ATOM 0 HZ1 LYS A 81 13.723 7.621 -13.788 1.00 11.75 H new ATOM 0 HZ2 LYS A 81 14.800 8.461 -12.778 1.00 11.75 H new ATOM 0 HZ3 LYS A 81 15.391 7.584 -14.106 1.00 11.75 H new ATOM 1332 N HIS A 82 16.448 6.999 -7.375 1.00 6.91 N ATOM 1333 CA HIS A 82 16.082 7.765 -6.182 1.00 6.47 C ATOM 1334 C HIS A 82 16.037 6.875 -4.946 1.00 5.53 C ATOM 1335 O HIS A 82 15.246 5.935 -4.878 1.00 5.01 O ATOM 1336 CB HIS A 82 14.723 8.443 -6.364 1.00 6.67 C ATOM 1337 CG HIS A 82 14.649 9.350 -7.548 1.00 7.18 C ATOM 1338 ND1 HIS A 82 14.207 8.929 -8.779 1.00 7.40 N ATOM 1339 CD2 HIS A 82 14.938 10.665 -7.682 1.00 7.76 C ATOM 1340 CE1 HIS A 82 14.223 9.942 -9.622 1.00 8.08 C ATOM 1341 NE2 HIS A 82 14.664 11.008 -8.981 1.00 8.33 N ATOM 0 H HIS A 82 15.673 6.503 -7.816 1.00 6.91 H new ATOM 0 HA HIS A 82 16.849 8.527 -6.041 1.00 6.47 H new ATOM 0 HB2 HIS A 82 13.955 7.675 -6.459 1.00 6.67 H new ATOM 0 HB3 HIS A 82 14.491 9.016 -5.466 1.00 6.67 H new ATOM 0 HD2 HIS A 82 15.314 11.321 -6.911 1.00 7.76 H new ATOM 0 HE1 HIS A 82 13.926 9.906 -10.660 1.00 8.08 H new ATOM 0 HE2 HIS A 82 14.782 11.937 -9.386 1.00 8.33 H new ATOM 1350 N PRO A 83 16.887 7.157 -3.953 1.00 5.57 N ATOM 1351 CA PRO A 83 16.912 6.412 -2.703 1.00 4.95 C ATOM 1352 C PRO A 83 15.965 6.981 -1.641 1.00 4.13 C ATOM 1353 O PRO A 83 16.090 8.134 -1.224 1.00 4.33 O ATOM 1354 CB PRO A 83 18.366 6.566 -2.264 1.00 5.64 C ATOM 1355 CG PRO A 83 18.786 7.906 -2.781 1.00 6.46 C ATOM 1356 CD PRO A 83 17.918 8.210 -3.981 1.00 6.50 C ATOM 0 HA PRO A 83 16.580 5.382 -2.830 1.00 4.95 H new ATOM 0 HB2 PRO A 83 18.458 6.515 -1.179 1.00 5.64 H new ATOM 0 HB3 PRO A 83 18.989 5.771 -2.675 1.00 5.64 H new ATOM 0 HG2 PRO A 83 18.664 8.671 -2.014 1.00 6.46 H new ATOM 0 HG3 PRO A 83 19.840 7.899 -3.059 1.00 6.46 H new ATOM 0 HD2 PRO A 83 17.475 9.204 -3.912 1.00 6.50 H new ATOM 0 HD3 PRO A 83 18.493 8.181 -4.907 1.00 6.50 H new ATOM 1364 N LEU A 84 15.009 6.167 -1.216 1.00 3.60 N ATOM 1365 CA LEU A 84 14.157 6.507 -0.083 1.00 3.05 C ATOM 1366 C LEU A 84 14.691 5.770 1.119 1.00 2.76 C ATOM 1367 O LEU A 84 15.052 4.600 1.006 1.00 3.30 O ATOM 1368 CB LEU A 84 12.688 6.112 -0.321 1.00 3.01 C ATOM 1369 CG LEU A 84 12.057 6.586 -1.641 1.00 4.01 C ATOM 1370 CD1 LEU A 84 12.498 5.718 -2.811 1.00 4.57 C ATOM 1371 CD2 LEU A 84 10.541 6.589 -1.532 1.00 4.67 C ATOM 0 H LEU A 84 14.803 5.263 -1.640 1.00 3.60 H new ATOM 0 HA LEU A 84 14.174 7.587 0.065 1.00 3.05 H new ATOM 0 HB2 LEU A 84 12.615 5.025 -0.279 1.00 3.01 H new ATOM 0 HB3 LEU A 84 12.091 6.504 0.503 1.00 3.01 H new ATOM 0 HG LEU A 84 12.402 7.603 -1.828 1.00 4.01 H new ATOM 0 HD11 LEU A 84 12.034 6.080 -3.728 1.00 4.57 H new ATOM 0 HD12 LEU A 84 13.582 5.765 -2.910 1.00 4.57 H new ATOM 0 HD13 LEU A 84 12.194 4.686 -2.634 1.00 4.57 H new ATOM 0 HD21 LEU A 84 10.109 6.927 -2.474 1.00 4.67 H new ATOM 0 HD22 LEU A 84 10.190 5.581 -1.313 1.00 4.67 H new ATOM 0 HD23 LEU A 84 10.235 7.262 -0.731 1.00 4.67 H new ATOM 1383 N CYS A 85 14.769 6.421 2.265 1.00 2.66 N ATOM 1384 CA CYS A 85 15.524 5.814 3.330 1.00 3.24 C ATOM 1385 C CYS A 85 15.025 6.087 4.727 1.00 3.77 C ATOM 1386 O CYS A 85 15.648 5.679 5.690 1.00 4.31 O ATOM 1387 CB CYS A 85 16.967 6.227 3.196 1.00 3.79 C ATOM 1388 SG CYS A 85 17.498 7.608 4.239 1.00 4.64 S ATOM 0 H CYS A 85 14.341 7.323 2.472 1.00 2.66 H new ATOM 0 HA CYS A 85 15.398 4.738 3.210 1.00 3.24 H new ATOM 0 HB2 CYS A 85 17.594 5.364 3.423 1.00 3.79 H new ATOM 0 HB3 CYS A 85 17.153 6.491 2.155 1.00 3.79 H new ATOM 1393 N GLY A 86 13.965 6.806 4.854 1.00 4.00 N ATOM 1394 CA GLY A 86 13.329 6.869 6.157 1.00 4.75 C ATOM 1395 C GLY A 86 12.028 6.093 6.211 1.00 4.42 C ATOM 1396 O GLY A 86 11.964 5.045 6.840 1.00 5.13 O ATOM 0 H GLY A 86 13.520 7.347 4.112 1.00 4.00 H new ATOM 0 HA2 GLY A 86 14.013 6.477 6.910 1.00 4.75 H new ATOM 0 HA3 GLY A 86 13.137 7.911 6.413 1.00 4.75 H new ATOM 1400 N LYS A 87 10.993 6.581 5.531 1.00 3.51 N ATOM 1401 CA LYS A 87 9.831 5.770 5.182 1.00 3.25 C ATOM 1402 C LYS A 87 8.858 6.562 4.335 1.00 2.57 C ATOM 1403 O LYS A 87 8.444 7.649 4.741 1.00 2.57 O ATOM 1404 CB LYS A 87 9.098 5.181 6.392 1.00 3.54 C ATOM 1405 CG LYS A 87 8.195 6.145 7.167 1.00 4.49 C ATOM 1406 CD LYS A 87 8.969 7.239 7.890 1.00 5.19 C ATOM 1407 CE LYS A 87 9.771 6.686 9.054 1.00 6.18 C ATOM 1408 NZ LYS A 87 10.390 7.768 9.862 1.00 6.95 N ATOM 0 H LYS A 87 10.937 7.547 5.208 1.00 3.51 H new ATOM 0 HA LYS A 87 10.225 4.928 4.613 1.00 3.25 H new ATOM 0 HB2 LYS A 87 8.491 4.342 6.051 1.00 3.54 H new ATOM 0 HB3 LYS A 87 9.841 4.778 7.080 1.00 3.54 H new ATOM 0 HG2 LYS A 87 7.487 6.605 6.477 1.00 4.49 H new ATOM 0 HG3 LYS A 87 7.611 5.581 7.894 1.00 4.49 H new ATOM 0 HD2 LYS A 87 9.640 7.734 7.188 1.00 5.19 H new ATOM 0 HD3 LYS A 87 8.274 7.996 8.254 1.00 5.19 H new ATOM 0 HE2 LYS A 87 9.121 6.084 9.690 1.00 6.18 H new ATOM 0 HE3 LYS A 87 10.550 6.024 8.676 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 10.929 7.350 10.647 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 11.030 8.327 9.262 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 9.645 8.386 10.244 1.00 6.95 H new ATOM 1422 N ARG A 88 8.522 6.096 3.151 1.00 2.48 N ATOM 1423 CA ARG A 88 7.322 6.612 2.517 1.00 2.17 C ATOM 1424 C ARG A 88 6.755 5.729 1.415 1.00 1.70 C ATOM 1425 O ARG A 88 7.254 5.744 0.292 1.00 2.18 O ATOM 1426 CB ARG A 88 7.506 8.053 2.019 1.00 3.14 C ATOM 1427 CG ARG A 88 8.681 8.256 1.077 1.00 3.80 C ATOM 1428 CD ARG A 88 8.720 9.676 0.536 1.00 4.78 C ATOM 1429 NE ARG A 88 9.899 9.915 -0.297 1.00 5.43 N ATOM 1430 CZ ARG A 88 9.885 10.613 -1.434 1.00 6.34 C ATOM 1431 NH1 ARG A 88 8.744 11.107 -1.905 1.00 6.69 N ATOM 1432 NH2 ARG A 88 11.017 10.812 -2.103 1.00 7.15 N ATOM 0 H ARG A 88 9.036 5.390 2.624 1.00 2.48 H new ATOM 0 HA ARG A 88 6.576 6.609 3.312 1.00 2.17 H new ATOM 0 HB2 ARG A 88 6.593 8.367 1.512 1.00 3.14 H new ATOM 0 HB3 ARG A 88 7.633 8.707 2.882 1.00 3.14 H new ATOM 0 HG2 ARG A 88 9.611 8.039 1.602 1.00 3.80 H new ATOM 0 HG3 ARG A 88 8.611 7.551 0.248 1.00 3.80 H new ATOM 0 HD2 ARG A 88 7.819 9.866 -0.048 1.00 4.78 H new ATOM 0 HD3 ARG A 88 8.715 10.381 1.368 1.00 4.78 H new ATOM 0 HE ARG A 88 10.789 9.523 0.011 1.00 5.43 H new ATOM 0 HH11 ARG A 88 7.873 10.953 -1.397 1.00 6.69 H new ATOM 0 HH12 ARG A 88 8.739 11.640 -2.775 1.00 6.69 H new ATOM 0 HH21 ARG A 88 11.894 10.431 -1.747 1.00 7.15 H new ATOM 0 HH22 ARG A 88 11.009 11.345 -2.972 1.00 7.15 H new ATOM 1446 N TYR A 89 5.732 4.947 1.733 1.00 1.34 N ATOM 1447 CA TYR A 89 4.902 4.345 0.697 1.00 1.31 C ATOM 1448 C TYR A 89 3.506 4.026 1.222 1.00 1.05 C ATOM 1449 O TYR A 89 3.323 3.052 1.950 1.00 1.43 O ATOM 1450 CB TYR A 89 5.559 3.096 0.116 1.00 2.13 C ATOM 1451 CG TYR A 89 5.816 3.213 -1.370 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.785 3.059 -2.287 1.00 3.40 C ATOM 1453 CD2 TYR A 89 7.089 3.487 -1.854 1.00 2.94 C ATOM 1454 CE1 TYR A 89 5.014 3.171 -3.644 1.00 4.21 C ATOM 1455 CE2 TYR A 89 7.326 3.601 -3.209 1.00 3.68 C ATOM 1456 CZ TYR A 89 6.287 3.443 -4.098 1.00 4.27 C ATOM 1457 OH TYR A 89 6.520 3.550 -5.449 1.00 5.18 O ATOM 0 H TYR A 89 5.459 4.716 2.688 1.00 1.34 H new ATOM 0 HA TYR A 89 4.801 5.076 -0.105 1.00 1.31 H new ATOM 0 HB2 TYR A 89 6.502 2.913 0.631 1.00 2.13 H new ATOM 0 HB3 TYR A 89 4.920 2.233 0.304 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.787 2.848 -1.933 1.00 3.40 H new ATOM 0 HD2 TYR A 89 7.906 3.613 -1.159 1.00 2.94 H new ATOM 0 HE1 TYR A 89 4.202 3.046 -4.345 1.00 4.21 H new ATOM 0 HE2 TYR A 89 8.322 3.813 -3.570 1.00 3.68 H new ATOM 0 HH TYR A 89 7.475 3.420 -5.628 1.00 5.18 H new ATOM 1467 N GLU A 90 2.519 4.846 0.870 1.00 0.79 N ATOM 1468 CA GLU A 90 1.142 4.555 1.260 1.00 0.71 C ATOM 1469 C GLU A 90 0.227 4.541 0.055 1.00 0.53 C ATOM 1470 O GLU A 90 0.409 5.306 -0.886 1.00 0.63 O ATOM 1471 CB GLU A 90 0.637 5.565 2.311 1.00 1.07 C ATOM 1472 CG GLU A 90 -0.861 5.871 2.255 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.259 7.024 3.163 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.356 8.168 2.673 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.467 6.798 4.372 1.00 2.07 O ATOM 0 H GLU A 90 2.642 5.700 0.327 1.00 0.79 H new ATOM 0 HA GLU A 90 1.129 3.562 1.709 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.876 5.182 3.303 1.00 1.07 H new ATOM 0 HB3 GLU A 90 1.187 6.498 2.188 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.141 6.109 1.229 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.421 4.980 2.540 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.722 3.627 0.075 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.835 3.675 -0.845 1.00 0.43 C ATOM 1484 C LEU A 91 -3.084 3.845 -0.010 1.00 0.43 C ATOM 1485 O LEU A 91 -3.327 3.080 0.924 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.961 2.417 -1.724 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.673 1.900 -2.395 1.00 0.93 C ATOM 1488 CD1 LEU A 91 0.058 3.025 -3.114 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.241 1.206 -1.394 1.00 1.02 C ATOM 0 H LEU A 91 -0.742 2.839 0.723 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.681 4.502 -1.538 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.369 1.614 -1.110 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -2.692 2.622 -2.506 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.966 1.159 -3.138 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.963 2.633 -3.578 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -0.590 3.448 -3.882 1.00 1.82 H new ATOM 0 HD13 LEU A 91 0.325 3.802 -2.397 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.138 0.855 -1.903 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.521 1.908 -0.609 1.00 1.02 H new ATOM 0 HD23 LEU A 91 -0.281 0.357 -0.952 1.00 1.02 H new ATOM 1501 N SER A 92 -3.861 4.850 -0.318 1.00 0.43 N ATOM 1502 CA SER A 92 -5.024 5.144 0.483 1.00 0.48 C ATOM 1503 C SER A 92 -6.237 4.569 -0.183 1.00 0.43 C ATOM 1504 O SER A 92 -6.489 4.814 -1.357 1.00 0.51 O ATOM 1505 CB SER A 92 -5.180 6.644 0.685 1.00 0.59 C ATOM 1506 OG SER A 92 -3.987 7.222 1.190 1.00 1.23 O ATOM 0 H SER A 92 -3.713 5.475 -1.110 1.00 0.43 H new ATOM 0 HA SER A 92 -4.904 4.692 1.467 1.00 0.48 H new ATOM 0 HB2 SER A 92 -5.443 7.115 -0.262 1.00 0.59 H new ATOM 0 HB3 SER A 92 -6.001 6.837 1.376 1.00 0.59 H new ATOM 0 HG SER A 92 -4.115 8.186 1.309 1.00 1.23 H new ATOM 1512 N ALA A 93 -6.988 3.802 0.562 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.073 3.085 -0.003 1.00 0.54 C ATOM 1514 C ALA A 93 -9.308 3.914 0.120 1.00 0.62 C ATOM 1515 O ALA A 93 -9.435 4.703 1.065 1.00 0.83 O ATOM 1516 CB ALA A 93 -8.240 1.754 0.662 1.00 0.66 C ATOM 0 H ALA A 93 -6.858 3.665 1.564 1.00 0.52 H new ATOM 0 HA ALA A 93 -7.875 2.889 -1.057 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -9.079 1.224 0.210 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -7.330 1.168 0.536 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -8.433 1.900 1.725 1.00 0.66 H new ATOM 1522 N ARG A 94 -10.199 3.755 -0.829 1.00 0.91 N ATOM 1523 CA ARG A 94 -11.396 4.546 -0.872 1.00 1.26 C ATOM 1524 C ARG A 94 -11.052 5.993 -1.188 1.00 0.70 C ATOM 1525 O ARG A 94 -10.260 6.261 -2.082 1.00 1.17 O ATOM 1526 CB ARG A 94 -12.147 4.452 0.424 1.00 2.35 C ATOM 1527 CG ARG A 94 -12.388 3.035 0.926 1.00 3.37 C ATOM 1528 CD ARG A 94 -13.442 2.298 0.120 1.00 4.38 C ATOM 1529 NE ARG A 94 -14.807 2.699 0.467 1.00 5.11 N ATOM 1530 CZ ARG A 94 -15.648 1.939 1.173 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -15.249 0.763 1.643 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -16.890 2.351 1.403 1.00 6.80 N ATOM 0 H ARG A 94 -10.112 3.077 -1.586 1.00 0.91 H new ATOM 0 HA ARG A 94 -12.040 4.157 -1.661 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -11.596 5.003 1.187 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -13.110 4.948 0.305 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -11.452 2.477 0.889 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -12.696 3.072 1.971 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -13.274 2.480 -0.941 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -13.332 1.226 0.281 1.00 4.38 H new ATOM 0 HE ARG A 94 -15.134 3.612 0.151 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -14.298 0.439 1.465 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -15.893 0.184 2.182 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -17.204 3.251 1.040 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -17.529 1.767 1.943 1.00 6.80 H new ATOM 1546 N MET A 95 -11.612 6.921 -0.430 1.00 0.84 N ATOM 1547 CA MET A 95 -11.717 8.301 -0.871 1.00 1.41 C ATOM 1548 C MET A 95 -12.262 8.349 -2.306 1.00 1.48 C ATOM 1549 O MET A 95 -11.962 9.268 -3.066 1.00 2.12 O ATOM 1550 CB MET A 95 -10.356 8.986 -0.800 1.00 2.09 C ATOM 1551 CG MET A 95 -9.754 8.988 0.590 1.00 2.32 C ATOM 1552 SD MET A 95 -7.956 9.167 0.586 1.00 3.26 S ATOM 1553 CE MET A 95 -7.769 10.721 -0.285 1.00 3.27 C ATOM 0 H MET A 95 -12.002 6.743 0.496 1.00 0.84 H new ATOM 0 HA MET A 95 -12.405 8.831 -0.212 1.00 1.41 H new ATOM 0 HB2 MET A 95 -9.670 8.486 -1.484 1.00 2.09 H new ATOM 0 HB3 MET A 95 -10.457 10.015 -1.145 1.00 2.09 H new ATOM 0 HG2 MET A 95 -10.192 9.802 1.168 1.00 2.32 H new ATOM 0 HG3 MET A 95 -10.019 8.059 1.095 1.00 2.32 H new ATOM 0 HE1 MET A 95 -6.724 11.029 -0.259 1.00 3.27 H new ATOM 0 HE2 MET A 95 -8.085 10.598 -1.321 1.00 3.27 H new ATOM 0 HE3 MET A 95 -8.384 11.483 0.194 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.062 7.327 -2.644 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.621 7.131 -3.992 1.00 1.45 C ATOM 1565 C ASP A 96 -12.558 6.611 -4.980 1.00 1.30 C ATOM 1566 O ASP A 96 -12.678 6.785 -6.193 1.00 1.97 O ATOM 1567 CB ASP A 96 -14.286 8.418 -4.514 1.00 1.76 C ATOM 1568 CG ASP A 96 -15.027 8.219 -5.825 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -15.841 7.274 -5.919 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -14.813 9.021 -6.762 1.00 2.86 O ATOM 0 H ASP A 96 -13.343 6.604 -1.982 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.393 6.366 -3.914 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -14.983 8.790 -3.763 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -13.523 9.185 -4.648 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.532 5.935 -4.456 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.471 5.346 -5.301 1.00 0.62 C ATOM 1577 C ALA A 97 -9.458 4.599 -4.450 1.00 0.60 C ATOM 1578 O ALA A 97 -9.780 4.049 -3.410 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.726 6.418 -6.120 1.00 0.55 C ATOM 0 H ALA A 97 -11.407 5.778 -3.456 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.965 4.658 -5.987 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.955 5.942 -6.726 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.432 6.935 -6.770 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -9.263 7.136 -5.443 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.265 4.496 -4.978 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.090 4.177 -4.223 1.00 0.34 C ATOM 1587 C ILE A 98 -6.049 5.218 -4.561 1.00 0.32 C ATOM 1588 O ILE A 98 -5.616 5.321 -5.707 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.576 2.773 -4.550 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.477 1.751 -3.843 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.100 2.631 -4.103 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -6.870 1.229 -2.596 1.00 0.50 C ATOM 0 H ILE A 98 -8.084 4.636 -5.972 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.316 4.183 -3.157 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.610 2.595 -5.625 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.435 2.215 -3.610 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.681 0.921 -4.520 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -4.743 1.629 -4.340 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.489 3.367 -4.626 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.028 2.797 -3.028 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -7.547 0.510 -2.135 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -5.925 0.739 -2.829 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -6.691 2.053 -1.906 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.692 6.020 -3.588 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.756 7.103 -3.838 1.00 0.53 C ATOM 1606 C TYR A 99 -3.383 6.708 -3.358 1.00 0.63 C ATOM 1607 O TYR A 99 -3.151 5.585 -2.916 1.00 0.86 O ATOM 1608 CB TYR A 99 -5.158 8.435 -3.173 1.00 0.79 C ATOM 1609 CG TYR A 99 -6.459 9.027 -3.665 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -7.660 8.373 -3.432 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -6.489 10.222 -4.372 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -8.855 8.890 -3.889 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -7.683 10.747 -4.828 1.00 2.26 C ATOM 1614 CZ TYR A 99 -8.839 10.155 -4.553 1.00 2.77 C ATOM 1615 OH TYR A 99 -10.052 10.592 -5.048 1.00 3.67 O ATOM 0 H TYR A 99 -6.026 5.951 -2.627 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.763 7.271 -4.915 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -5.231 8.279 -2.097 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -4.361 9.161 -3.336 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.660 7.443 -2.883 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -5.566 10.748 -4.568 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -9.780 8.351 -3.748 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -7.676 11.652 -5.417 1.00 2.26 H new ATOM 0 HH TYR A 99 -10.779 10.229 -4.500 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.498 7.651 -3.447 1.00 0.72 N ATOM 1626 CA PHE A 100 -1.115 7.473 -3.141 1.00 0.91 C ATOM 1627 C PHE A 100 -0.765 7.973 -1.743 1.00 1.25 C ATOM 1628 O PHE A 100 -1.620 8.403 -0.970 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.366 8.359 -4.114 1.00 1.20 C ATOM 1630 CG PHE A 100 -0.778 9.808 -3.929 1.00 1.73 C ATOM 1631 CD1 PHE A 100 -0.042 10.658 -3.111 1.00 2.22 C ATOM 1632 CD2 PHE A 100 -1.885 10.328 -4.591 1.00 2.19 C ATOM 1633 CE1 PHE A 100 -0.400 11.985 -2.958 1.00 2.83 C ATOM 1634 CE2 PHE A 100 -2.248 11.653 -4.438 1.00 2.91 C ATOM 1635 CZ PHE A 100 -1.564 12.457 -3.555 1.00 3.12 C ATOM 0 H PHE A 100 -2.728 8.599 -3.745 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.865 6.414 -3.202 1.00 0.91 H new ATOM 0 HB2 PHE A 100 0.708 8.256 -3.958 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.571 8.043 -5.137 1.00 1.20 H new ATOM 0 HD1 PHE A 100 0.822 10.276 -2.587 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -2.470 9.687 -5.234 1.00 2.19 H new ATOM 0 HE1 PHE A 100 0.221 12.651 -2.378 1.00 2.83 H new ATOM 0 HE2 PHE A 100 -3.069 12.057 -5.012 1.00 2.91 H new ATOM 0 HZ PHE A 100 -1.929 13.448 -3.327 1.00 3.12 H new ATOM 1645 N LYS A 101 0.523 7.907 -1.474 1.00 1.07 N ATOM 1646 CA LYS A 101 1.201 8.770 -0.530 1.00 1.43 C ATOM 1647 C LYS A 101 2.542 9.041 -1.149 1.00 1.37 C ATOM 1648 O LYS A 101 3.317 8.099 -1.358 1.00 1.55 O ATOM 1649 CB LYS A 101 1.361 8.121 0.827 1.00 2.06 C ATOM 1650 CG LYS A 101 1.883 9.039 1.932 1.00 2.92 C ATOM 1651 CD LYS A 101 3.382 9.286 1.824 1.00 3.76 C ATOM 1652 CE LYS A 101 3.891 10.158 2.962 1.00 4.58 C ATOM 1653 NZ LYS A 101 3.174 11.459 3.031 1.00 5.15 N ATOM 0 H LYS A 101 1.144 7.232 -1.919 1.00 1.07 H new ATOM 0 HA LYS A 101 0.629 9.680 -0.350 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.396 7.720 1.136 1.00 2.06 H new ATOM 0 HB3 LYS A 101 2.041 7.275 0.729 1.00 2.06 H new ATOM 0 HG2 LYS A 101 1.357 9.992 1.887 1.00 2.92 H new ATOM 0 HG3 LYS A 101 1.660 8.597 2.903 1.00 2.92 H new ATOM 0 HD2 LYS A 101 3.910 8.332 1.832 1.00 3.76 H new ATOM 0 HD3 LYS A 101 3.604 9.765 0.871 1.00 3.76 H new ATOM 0 HE2 LYS A 101 3.771 9.628 3.907 1.00 4.58 H new ATOM 0 HE3 LYS A 101 4.958 10.339 2.831 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 3.687 12.105 3.664 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 3.120 11.877 2.080 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 2.212 11.306 3.397 1.00 5.15 H new ATOM 1667 N MET A 102 2.805 10.320 -1.379 1.00 1.76 N ATOM 1668 CA MET A 102 3.759 10.778 -2.377 1.00 2.21 C ATOM 1669 C MET A 102 5.131 10.132 -2.267 1.00 2.42 C ATOM 1670 O MET A 102 5.933 10.452 -1.383 1.00 2.62 O ATOM 1671 CB MET A 102 3.890 12.300 -2.298 1.00 2.82 C ATOM 1672 CG MET A 102 4.790 12.890 -3.370 1.00 3.61 C ATOM 1673 SD MET A 102 4.762 14.695 -3.396 1.00 4.57 S ATOM 1674 CE MET A 102 5.348 15.075 -1.746 1.00 5.14 C ATOM 0 H MET A 102 2.354 11.080 -0.869 1.00 1.76 H new ATOM 0 HA MET A 102 3.362 10.473 -3.345 1.00 2.21 H new ATOM 0 HB2 MET A 102 2.899 12.746 -2.382 1.00 2.82 H new ATOM 0 HB3 MET A 102 4.281 12.572 -1.317 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.813 12.550 -3.206 1.00 3.61 H new ATOM 0 HG3 MET A 102 4.481 12.513 -4.345 1.00 3.61 H new ATOM 0 HE1 MET A 102 5.638 16.125 -1.695 1.00 5.14 H new ATOM 0 HE2 MET A 102 4.554 14.883 -1.025 1.00 5.14 H new ATOM 0 HE3 MET A 102 6.210 14.449 -1.513 1.00 5.14 H new ATOM 1684 N ASP A 103 5.380 9.209 -3.182 1.00 2.92 N ATOM 1685 CA ASP A 103 6.716 8.714 -3.428 1.00 3.46 C ATOM 1686 C ASP A 103 7.379 9.632 -4.451 1.00 3.62 C ATOM 1687 O ASP A 103 6.880 10.732 -4.700 1.00 3.77 O ATOM 1688 CB ASP A 103 6.706 7.248 -3.902 1.00 4.39 C ATOM 1689 CG ASP A 103 6.100 7.046 -5.280 1.00 5.03 C ATOM 1690 OD1 ASP A 103 6.827 7.205 -6.279 1.00 5.64 O ATOM 1691 OD2 ASP A 103 4.905 6.688 -5.371 1.00 5.25 O ATOM 0 H ASP A 103 4.662 8.786 -3.770 1.00 2.92 H new ATOM 0 HA ASP A 103 7.286 8.723 -2.499 1.00 3.46 H new ATOM 0 HB2 ASP A 103 7.729 6.872 -3.908 1.00 4.39 H new ATOM 0 HB3 ASP A 103 6.151 6.648 -3.181 1.00 4.39 H new ATOM 1696 N GLU A 104 8.498 9.228 -5.017 1.00 4.02 N ATOM 1697 CA GLU A 104 9.233 10.106 -5.915 1.00 4.43 C ATOM 1698 C GLU A 104 8.450 10.395 -7.205 1.00 4.28 C ATOM 1699 O GLU A 104 8.640 11.436 -7.837 1.00 4.73 O ATOM 1700 CB GLU A 104 10.591 9.512 -6.242 1.00 4.95 C ATOM 1701 CG GLU A 104 11.544 10.512 -6.868 1.00 5.34 C ATOM 1702 CD GLU A 104 11.699 11.762 -6.025 1.00 6.03 C ATOM 1703 OE1 GLU A 104 12.149 11.650 -4.865 1.00 6.26 O ATOM 1704 OE2 GLU A 104 11.397 12.863 -6.523 1.00 6.61 O ATOM 0 H GLU A 104 8.918 8.309 -4.876 1.00 4.02 H new ATOM 0 HA GLU A 104 9.374 11.056 -5.399 1.00 4.43 H new ATOM 0 HB2 GLU A 104 11.037 9.117 -5.329 1.00 4.95 H new ATOM 0 HB3 GLU A 104 10.458 8.671 -6.922 1.00 4.95 H new ATOM 0 HG2 GLU A 104 12.519 10.045 -7.005 1.00 5.34 H new ATOM 0 HG3 GLU A 104 11.181 10.787 -7.858 1.00 5.34 H new ATOM 1711 N ARG A 105 7.563 9.487 -7.579 1.00 3.93 N ATOM 1712 CA ARG A 105 6.773 9.644 -8.798 1.00 3.96 C ATOM 1713 C ARG A 105 5.566 10.546 -8.540 1.00 3.41 C ATOM 1714 O ARG A 105 5.079 10.629 -7.411 1.00 3.35 O ATOM 1715 CB ARG A 105 6.292 8.280 -9.284 1.00 4.49 C ATOM 1716 CG ARG A 105 7.403 7.259 -9.459 1.00 4.98 C ATOM 1717 CD ARG A 105 6.833 5.855 -9.451 1.00 5.81 C ATOM 1718 NE ARG A 105 5.978 5.654 -8.286 1.00 6.29 N ATOM 1719 CZ ARG A 105 4.972 4.791 -8.232 1.00 7.10 C ATOM 1720 NH1 ARG A 105 4.753 3.954 -9.239 1.00 7.50 N ATOM 1721 NH2 ARG A 105 4.187 4.767 -7.159 1.00 7.74 N ATOM 0 H ARG A 105 7.369 8.632 -7.058 1.00 3.93 H new ATOM 0 HA ARG A 105 7.402 10.103 -9.561 1.00 3.96 H new ATOM 0 HB2 ARG A 105 5.562 7.890 -8.575 1.00 4.49 H new ATOM 0 HB3 ARG A 105 5.775 8.406 -10.236 1.00 4.49 H new ATOM 0 HG2 ARG A 105 7.928 7.440 -10.397 1.00 4.98 H new ATOM 0 HG3 ARG A 105 8.134 7.366 -8.658 1.00 4.98 H new ATOM 0 HD2 ARG A 105 6.261 5.684 -10.363 1.00 5.81 H new ATOM 0 HD3 ARG A 105 7.645 5.127 -9.443 1.00 5.81 H new ATOM 0 HE ARG A 105 6.167 6.216 -7.456 1.00 6.29 H new ATOM 0 HH11 ARG A 105 5.360 3.973 -10.059 1.00 7.50 H new ATOM 0 HH12 ARG A 105 3.978 3.292 -9.193 1.00 7.50 H new ATOM 0 HH21 ARG A 105 4.361 5.409 -6.386 1.00 7.74 H new ATOM 0 HH22 ARG A 105 3.411 4.107 -7.109 1.00 7.74 H new ATOM 1735 N PRO A 106 5.079 11.252 -9.579 1.00 3.33 N ATOM 1736 CA PRO A 106 3.888 12.107 -9.473 1.00 3.10 C ATOM 1737 C PRO A 106 2.628 11.301 -9.151 1.00 2.43 C ATOM 1738 O PRO A 106 2.253 10.399 -9.899 1.00 2.29 O ATOM 1739 CB PRO A 106 3.767 12.746 -10.863 1.00 3.53 C ATOM 1740 CG PRO A 106 5.104 12.563 -11.498 1.00 4.00 C ATOM 1741 CD PRO A 106 5.653 11.286 -10.934 1.00 3.83 C ATOM 0 HA PRO A 106 3.985 12.834 -8.667 1.00 3.10 H new ATOM 0 HB2 PRO A 106 2.984 12.266 -11.450 1.00 3.53 H new ATOM 0 HB3 PRO A 106 3.508 13.802 -10.789 1.00 3.53 H new ATOM 0 HG2 PRO A 106 5.017 12.506 -12.583 1.00 4.00 H new ATOM 0 HG3 PRO A 106 5.761 13.403 -11.275 1.00 4.00 H new ATOM 0 HD2 PRO A 106 5.350 10.421 -11.523 1.00 3.83 H new ATOM 0 HD3 PRO A 106 6.743 11.290 -10.911 1.00 3.83 H new ATOM 1749 N PRO A 107 1.963 11.617 -8.031 1.00 2.31 N ATOM 1750 CA PRO A 107 0.784 10.884 -7.571 1.00 1.85 C ATOM 1751 C PRO A 107 -0.532 11.410 -8.147 1.00 1.51 C ATOM 1752 O PRO A 107 -0.570 12.457 -8.799 1.00 1.80 O ATOM 1753 CB PRO A 107 0.830 11.134 -6.079 1.00 2.23 C ATOM 1754 CG PRO A 107 1.344 12.531 -5.962 1.00 2.91 C ATOM 1755 CD PRO A 107 2.316 12.709 -7.104 1.00 2.93 C ATOM 0 HA PRO A 107 0.809 9.838 -7.876 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -0.157 11.033 -5.627 1.00 2.23 H new ATOM 0 HB3 PRO A 107 1.486 10.424 -5.575 1.00 2.23 H new ATOM 0 HG2 PRO A 107 0.530 13.254 -6.025 1.00 2.91 H new ATOM 0 HG3 PRO A 107 1.836 12.688 -5.002 1.00 2.91 H new ATOM 0 HD2 PRO A 107 2.207 13.686 -7.575 1.00 2.93 H new ATOM 0 HD3 PRO A 107 3.350 12.631 -6.767 1.00 2.93 H new ATOM 1763 N GLN A 108 -1.607 10.679 -7.862 1.00 1.09 N ATOM 1764 CA GLN A 108 -2.954 11.010 -8.317 1.00 0.94 C ATOM 1765 C GLN A 108 -3.915 9.970 -7.729 1.00 0.70 C ATOM 1766 O GLN A 108 -3.473 9.137 -6.933 1.00 0.64 O ATOM 1767 CB GLN A 108 -3.015 10.995 -9.853 1.00 1.18 C ATOM 1768 CG GLN A 108 -2.760 9.625 -10.467 1.00 1.72 C ATOM 1769 CD GLN A 108 -3.026 9.599 -11.958 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -4.146 9.335 -12.395 1.00 2.57 O ATOM 1771 NE2 GLN A 108 -2.000 9.859 -12.751 1.00 2.71 N ATOM 0 H GLN A 108 -1.566 9.828 -7.301 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.234 12.010 -7.985 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.996 11.348 -10.171 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.280 11.700 -10.243 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -1.726 9.334 -10.280 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -3.393 8.886 -9.975 1.00 1.72 H new ATOM 0 HE21 GLN A 108 -1.087 10.074 -12.350 1.00 2.71 H new ATOM 0 HE22 GLN A 108 -2.122 9.845 -13.764 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.230 9.998 -8.053 1.00 0.68 N ATOM 1781 CA PRO A 109 -6.105 8.852 -7.783 1.00 0.55 C ATOM 1782 C PRO A 109 -5.576 7.633 -8.522 1.00 0.56 C ATOM 1783 O PRO A 109 -5.926 7.380 -9.674 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.469 9.284 -8.330 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.407 10.774 -8.372 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.972 11.122 -8.657 1.00 0.91 C ATOM 0 HA PRO A 109 -6.160 8.583 -6.728 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.648 8.867 -9.321 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -8.280 8.940 -7.688 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.065 11.170 -9.145 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.732 11.205 -7.425 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.781 11.202 -9.727 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.692 12.076 -8.211 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.718 6.896 -7.841 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.866 5.905 -8.471 1.00 0.61 C ATOM 1796 C LEU A 110 -4.672 4.747 -9.026 1.00 0.51 C ATOM 1797 O LEU A 110 -4.314 4.165 -10.048 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.816 5.427 -7.453 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.459 4.973 -8.021 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.595 3.704 -8.845 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -0.827 6.083 -8.849 1.00 1.61 C ATOM 0 H LEU A 110 -4.592 6.968 -6.831 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.358 6.361 -9.321 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.635 6.236 -6.745 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -3.243 4.598 -6.888 1.00 0.83 H new ATOM 0 HG LEU A 110 -0.805 4.751 -7.177 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.617 3.413 -9.230 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.991 2.904 -8.219 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -2.274 3.882 -9.678 1.00 1.89 H new ATOM 0 HD21 LEU A 110 0.131 5.743 -9.242 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -1.488 6.341 -9.677 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -0.671 6.961 -8.222 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.781 4.447 -8.391 1.00 0.42 N ATOM 1814 CA ASN A 111 -6.557 3.286 -8.759 1.00 0.48 C ATOM 1815 C ASN A 111 -7.870 3.409 -8.048 1.00 0.42 C ATOM 1816 O ASN A 111 -8.233 4.503 -7.642 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.823 1.999 -8.343 1.00 0.60 C ATOM 1818 CG ASN A 111 -6.219 0.793 -9.175 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -7.355 0.681 -9.638 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -5.280 -0.115 -9.379 1.00 1.75 N ATOM 0 H ASN A 111 -6.166 4.990 -7.618 1.00 0.42 H new ATOM 0 HA ASN A 111 -6.706 3.232 -9.837 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.748 2.156 -8.431 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -6.030 1.793 -7.293 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -5.485 -0.944 -9.937 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -4.351 0.014 -8.979 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.595 2.334 -7.922 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.725 2.313 -7.058 1.00 0.60 C ATOM 1829 C LYS A 112 -9.836 0.964 -6.402 1.00 0.72 C ATOM 1830 O LYS A 112 -9.425 -0.053 -6.961 1.00 0.84 O ATOM 1831 CB LYS A 112 -11.009 2.640 -7.805 1.00 0.72 C ATOM 1832 CG LYS A 112 -11.449 1.607 -8.839 1.00 1.33 C ATOM 1833 CD LYS A 112 -10.620 1.660 -10.111 1.00 1.68 C ATOM 1834 CE LYS A 112 -11.104 0.627 -11.113 1.00 2.31 C ATOM 1835 NZ LYS A 112 -10.358 0.684 -12.394 1.00 2.93 N ATOM 0 H LYS A 112 -8.416 1.458 -8.413 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.583 3.080 -6.297 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.811 2.764 -7.077 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.883 3.599 -8.307 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -11.376 0.610 -8.404 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -12.498 1.771 -9.087 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -10.682 2.656 -10.550 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -9.571 1.481 -9.875 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -11.002 -0.369 -10.681 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -12.165 0.783 -11.307 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -10.726 -0.040 -13.043 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -10.475 1.624 -12.822 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -9.349 0.508 -12.216 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.364 0.984 -5.205 1.00 0.77 N ATOM 1850 CA TRP A 113 -10.584 -0.209 -4.432 1.00 0.97 C ATOM 1851 C TRP A 113 -11.535 -1.143 -5.149 1.00 1.02 C ATOM 1852 O TRP A 113 -12.693 -0.799 -5.382 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.144 0.164 -3.073 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.309 1.122 -3.147 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -12.263 2.458 -3.429 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.695 0.806 -2.951 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -13.529 2.988 -3.428 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -14.425 1.996 -3.134 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.390 -0.365 -2.641 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -15.811 2.045 -3.017 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.765 -0.313 -2.523 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.463 0.884 -2.712 1.00 2.20 C ATOM 0 H TRP A 113 -10.657 1.841 -4.735 1.00 0.77 H new ATOM 0 HA TRP A 113 -9.633 -0.725 -4.303 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -11.461 -0.743 -2.558 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.352 0.612 -2.472 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -11.360 3.017 -3.625 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -13.764 3.963 -3.616 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -13.861 -1.295 -2.496 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -16.352 2.968 -3.162 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.311 -1.213 -2.280 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.539 0.891 -2.615 1.00 2.20 H new ATOM 1873 N ARG A 114 -11.027 -2.327 -5.460 1.00 1.34 N ATOM 1874 CA ARG A 114 -11.725 -3.347 -6.227 1.00 1.50 C ATOM 1875 C ARG A 114 -12.428 -2.831 -7.497 1.00 1.82 C ATOM 1876 O ARG A 114 -12.532 -1.632 -7.749 1.00 2.41 O ATOM 1877 CB ARG A 114 -12.675 -4.170 -5.337 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.627 -3.389 -4.443 1.00 2.76 C ATOM 1879 CD ARG A 114 -14.600 -4.324 -3.738 1.00 3.56 C ATOM 1880 NE ARG A 114 -15.483 -3.622 -2.809 1.00 4.38 N ATOM 1881 CZ ARG A 114 -16.812 -3.753 -2.791 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -17.431 -4.490 -3.707 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -17.527 -3.126 -1.870 1.00 6.29 N ATOM 0 H ARG A 114 -10.090 -2.612 -5.177 1.00 1.34 H new ATOM 0 HA ARG A 114 -10.942 -4.009 -6.597 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -13.269 -4.817 -5.982 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -12.070 -4.819 -4.704 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.058 -2.825 -3.704 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -14.181 -2.664 -5.040 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -15.202 -4.844 -4.483 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -14.038 -5.084 -3.195 1.00 3.56 H new ATOM 0 HE ARG A 114 -15.057 -2.991 -2.130 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -16.891 -4.962 -4.432 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -18.446 -4.584 -3.685 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -17.063 -2.543 -1.174 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -18.542 -3.226 -1.857 1.00 6.29 H new ATOM 1897 N SER A 115 -12.856 -3.787 -8.314 1.00 2.02 N ATOM 1898 CA SER A 115 -13.581 -3.535 -9.564 1.00 2.76 C ATOM 1899 C SER A 115 -12.859 -2.525 -10.458 1.00 3.19 C ATOM 1900 O SER A 115 -13.327 -1.373 -10.577 1.00 3.60 O ATOM 1901 CB SER A 115 -15.029 -3.097 -9.282 1.00 3.33 C ATOM 1902 OG SER A 115 -15.094 -2.053 -8.320 1.00 4.01 O ATOM 1903 OXT SER A 115 -11.816 -2.898 -11.041 1.00 3.62 O ATOM 0 H SER A 115 -12.708 -4.779 -8.127 1.00 2.02 H new ATOM 0 HA SER A 115 -13.612 -4.476 -10.113 1.00 2.76 H new ATOM 0 HB2 SER A 115 -15.494 -2.764 -10.210 1.00 3.33 H new ATOM 0 HB3 SER A 115 -15.604 -3.953 -8.927 1.00 3.33 H new ATOM 0 HG SER A 115 -14.253 -1.550 -8.326 1.00 4.01 H new TER 1909 SER A 115