USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 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 10 ASN : amide:sc= -3.91! C(o=-7!,f=-19!) USER MOD Set 1.2: A 35 ASN : amide:sc= -3.07 X(o=-7,f=-6.8) USER MOD Single : A 1 MET CE :methyl -106:sc= -0.7 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ -110:sc= -3.13! (180deg=-6.08!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.759 K(o=-0.76,f=-1.9) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.095) USER MOD Single : A 29 GLN : amide:sc= -0.982 K(o=-0.98,f=-4.1!) USER MOD Single : A 37 MET CE :methyl -142:sc= -1.32 (180deg=-3.95!) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0786) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0495) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 60 GLN : amide:sc=-0.00225 X(o=-0.0023,f=-0.0023) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -105:sc= -0.947 (180deg=-7.76!) USER MOD Single : A 67 GLN : amide:sc= -3.24! C(o=-3.2!,f=-5.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -4.25! C(o=-5.4!,f=-4.2!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -127:sc=-0.00356 (180deg=-0.0172) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.968 1.213 -5.218 1.00 0.00 N ATOM 2 CA MET A 1 -10.849 0.232 -5.261 1.00 0.00 C ATOM 3 C MET A 1 -9.641 0.723 -4.473 1.00 0.00 C ATOM 4 O MET A 1 -9.081 1.777 -4.772 1.00 0.00 O ATOM 5 CB MET A 1 -10.483 0.006 -6.725 1.00 0.00 C ATOM 6 CG MET A 1 -9.260 -0.857 -6.959 1.00 0.00 C ATOM 7 SD MET A 1 -8.617 -0.687 -8.634 1.00 0.00 S ATOM 8 CE MET A 1 -8.209 1.057 -8.664 1.00 0.00 C ATOM 0 H1 MET A 1 -12.743 0.830 -4.640 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.632 2.104 -4.800 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.311 1.391 -6.184 1.00 0.00 H new ATOM 0 HA MET A 1 -11.164 -0.703 -4.797 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.334 -0.453 -7.229 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.319 0.975 -7.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.483 -0.585 -6.244 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.513 -1.901 -6.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.944 1.592 -9.265 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.216 1.450 -7.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.218 1.191 -9.098 1.00 0.00 H new ATOM 20 N PHE A 2 -9.238 -0.049 -3.468 1.00 0.00 N ATOM 21 CA PHE A 2 -8.098 0.319 -2.645 1.00 0.00 C ATOM 22 C PHE A 2 -6.851 0.465 -3.501 1.00 0.00 C ATOM 23 O PHE A 2 -6.745 -0.133 -4.573 1.00 0.00 O ATOM 24 CB PHE A 2 -7.861 -0.715 -1.541 1.00 0.00 C ATOM 25 CG PHE A 2 -8.925 -0.723 -0.479 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.081 -1.465 -0.642 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.761 0.011 0.682 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.056 -1.475 0.336 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.732 0.005 1.663 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.881 -0.739 1.491 1.00 0.00 C ATOM 0 H PHE A 2 -9.684 -0.929 -3.207 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.318 1.277 -2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.802 -1.706 -1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.896 -0.519 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.223 -2.043 -1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.863 0.595 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -11.955 -2.058 0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.592 0.583 2.565 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.642 -0.746 2.258 1.00 0.00 H new ATOM 40 N LYS A 3 -5.914 1.269 -3.027 1.00 0.00 N ATOM 41 CA LYS A 3 -4.678 1.509 -3.751 1.00 0.00 C ATOM 42 C LYS A 3 -3.477 1.323 -2.840 1.00 0.00 C ATOM 43 O LYS A 3 -3.372 1.975 -1.806 1.00 0.00 O ATOM 44 CB LYS A 3 -4.679 2.926 -4.318 1.00 0.00 C ATOM 45 CG LYS A 3 -5.257 3.024 -5.718 1.00 0.00 C ATOM 46 CD LYS A 3 -6.772 3.145 -5.680 1.00 0.00 C ATOM 47 CE LYS A 3 -7.275 4.173 -6.679 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.599 4.730 -6.286 1.00 0.00 N ATOM 0 H LYS A 3 -5.987 1.768 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.610 0.790 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.250 3.573 -3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.657 3.304 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.833 3.888 -6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.974 2.143 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.221 2.176 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -7.090 3.426 -4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.551 4.983 -6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.353 3.713 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.906 5.427 -6.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.297 3.961 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.520 5.191 -5.357 1.00 0.00 H new ATOM 62 N VAL A 4 -2.569 0.435 -3.221 1.00 0.00 N ATOM 63 CA VAL A 4 -1.380 0.197 -2.411 1.00 0.00 C ATOM 64 C VAL A 4 -0.110 0.642 -3.123 1.00 0.00 C ATOM 65 O VAL A 4 0.025 0.504 -4.337 1.00 0.00 O ATOM 66 CB VAL A 4 -1.223 -1.285 -2.011 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.144 -1.528 -1.387 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.314 -1.700 -1.045 1.00 0.00 C ATOM 0 H VAL A 4 -2.629 -0.125 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.522 0.793 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.310 -1.889 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.237 -2.578 -1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.923 -1.271 -2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.253 -0.908 -0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.183 -2.748 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.257 -1.086 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.288 -1.565 -1.516 1.00 0.00 H new ATOM 78 N TYR A 5 0.830 1.144 -2.333 1.00 0.00 N ATOM 79 CA TYR A 5 2.120 1.587 -2.835 1.00 0.00 C ATOM 80 C TYR A 5 3.218 0.841 -2.091 1.00 0.00 C ATOM 81 O TYR A 5 3.511 1.152 -0.939 1.00 0.00 O ATOM 82 CB TYR A 5 2.303 3.091 -2.628 1.00 0.00 C ATOM 83 CG TYR A 5 1.485 3.961 -3.556 1.00 0.00 C ATOM 84 CD1 TYR A 5 0.099 3.890 -3.570 1.00 0.00 C ATOM 85 CD2 TYR A 5 2.105 4.874 -4.399 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.648 4.707 -4.400 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.367 5.692 -5.234 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.009 5.605 -5.230 1.00 0.00 C ATOM 89 OH TYR A 5 -0.749 6.420 -6.056 1.00 0.00 O ATOM 0 H TYR A 5 0.717 1.255 -1.325 1.00 0.00 H new ATOM 0 HA TYR A 5 2.171 1.379 -3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.043 3.337 -1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.357 3.336 -2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.404 3.186 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.183 4.946 -4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.726 4.642 -4.398 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.865 6.395 -5.885 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.147 6.994 -6.574 1.00 0.00 H new ATOM 99 N GLY A 6 3.810 -0.155 -2.736 1.00 0.00 N ATOM 100 CA GLY A 6 4.850 -0.923 -2.087 1.00 0.00 C ATOM 101 C GLY A 6 5.657 -1.756 -3.060 1.00 0.00 C ATOM 102 O GLY A 6 6.014 -1.292 -4.143 1.00 0.00 O ATOM 0 H GLY A 6 3.590 -0.442 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.518 -0.245 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.400 -1.578 -1.341 1.00 0.00 H new ATOM 106 N TYR A 7 5.949 -2.988 -2.664 1.00 0.00 N ATOM 107 CA TYR A 7 6.719 -3.899 -3.484 1.00 0.00 C ATOM 108 C TYR A 7 5.856 -5.063 -3.962 1.00 0.00 C ATOM 109 O TYR A 7 4.878 -5.430 -3.311 1.00 0.00 O ATOM 110 CB TYR A 7 7.904 -4.410 -2.676 1.00 0.00 C ATOM 111 CG TYR A 7 8.750 -3.293 -2.115 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.483 -2.470 -2.956 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.803 -3.051 -0.748 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.248 -1.437 -2.453 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.568 -2.020 -0.237 1.00 0.00 C ATOM 116 CZ TYR A 7 10.288 -1.215 -1.094 1.00 0.00 C ATOM 117 OH TYR A 7 11.048 -0.186 -0.589 1.00 0.00 O ATOM 0 H TYR A 7 5.658 -3.378 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 7 7.079 -3.371 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.540 -5.031 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.523 -5.047 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.455 -2.640 -4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.238 -3.678 -0.075 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.813 -0.805 -3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.602 -1.846 0.828 1.00 0.00 H new ATOM 0 HH TYR A 7 10.965 -0.167 0.387 1.00 0.00 H new ATOM 127 N ASP A 8 6.214 -5.634 -5.108 1.00 0.00 N ATOM 128 CA ASP A 8 5.461 -6.751 -5.670 1.00 0.00 C ATOM 129 C ASP A 8 5.969 -8.095 -5.148 1.00 0.00 C ATOM 130 O ASP A 8 5.495 -9.148 -5.574 1.00 0.00 O ATOM 131 CB ASP A 8 5.537 -6.727 -7.197 1.00 0.00 C ATOM 132 CG ASP A 8 4.443 -5.880 -7.818 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.738 -5.174 -7.064 1.00 0.00 O ATOM 134 OD2 ASP A 8 4.290 -5.924 -9.056 1.00 0.00 O ATOM 0 H ASP A 8 7.018 -5.343 -5.664 1.00 0.00 H new ATOM 0 HA ASP A 8 4.424 -6.637 -5.356 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.509 -6.341 -7.503 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.464 -7.746 -7.578 1.00 0.00 H new ATOM 139 N SER A 9 6.937 -8.054 -4.228 1.00 0.00 N ATOM 140 CA SER A 9 7.512 -9.271 -3.648 1.00 0.00 C ATOM 141 C SER A 9 8.567 -9.888 -4.568 1.00 0.00 C ATOM 142 O SER A 9 9.298 -10.791 -4.159 1.00 0.00 O ATOM 143 CB SER A 9 6.419 -10.303 -3.347 1.00 0.00 C ATOM 144 OG SER A 9 6.705 -11.018 -2.156 1.00 0.00 O ATOM 0 H SER A 9 7.340 -7.189 -3.868 1.00 0.00 H new ATOM 0 HA SER A 9 7.996 -8.984 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.457 -9.800 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.333 -10.999 -4.181 1.00 0.00 H new ATOM 0 HG SER A 9 5.992 -11.669 -1.986 1.00 0.00 H new ATOM 150 N ASN A 10 8.651 -9.401 -5.805 1.00 0.00 N ATOM 151 CA ASN A 10 9.626 -9.915 -6.761 1.00 0.00 C ATOM 152 C ASN A 10 10.972 -9.218 -6.588 1.00 0.00 C ATOM 153 O ASN A 10 12.028 -9.830 -6.757 1.00 0.00 O ATOM 154 CB ASN A 10 9.114 -9.723 -8.190 1.00 0.00 C ATOM 155 CG ASN A 10 8.796 -8.274 -8.499 1.00 0.00 C ATOM 156 OD1 ASN A 10 8.466 -7.494 -7.606 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.896 -7.904 -9.770 1.00 0.00 N ATOM 0 H ASN A 10 8.058 -8.654 -6.166 1.00 0.00 H new ATOM 0 HA ASN A 10 9.763 -10.980 -6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.863 -10.086 -8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.219 -10.328 -8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.696 -6.940 -10.038 1.00 0.00 H new ATOM 0 HD22 ASN A 10 9.173 -8.583 -10.479 1.00 0.00 H new ATOM 164 N ILE A 11 10.925 -7.933 -6.247 1.00 0.00 N ATOM 165 CA ILE A 11 12.139 -7.145 -6.048 1.00 0.00 C ATOM 166 C ILE A 11 12.555 -7.120 -4.583 1.00 0.00 C ATOM 167 O ILE A 11 13.739 -7.227 -4.260 1.00 0.00 O ATOM 168 CB ILE A 11 11.956 -5.688 -6.513 1.00 0.00 C ATOM 169 CG1 ILE A 11 11.390 -5.633 -7.932 1.00 0.00 C ATOM 170 CG2 ILE A 11 13.280 -4.944 -6.435 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.962 -5.140 -7.989 1.00 0.00 C ATOM 0 H ILE A 11 10.059 -7.414 -6.102 1.00 0.00 H new ATOM 0 HA ILE A 11 12.912 -7.628 -6.646 1.00 0.00 H new ATOM 0 HB ILE A 11 11.241 -5.202 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.017 -4.981 -8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.441 -6.628 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 11 13.139 -3.915 -6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 11 13.640 -4.948 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.011 -5.435 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.623 -5.126 -9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.324 -5.805 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.908 -4.133 -7.576 1.00 0.00 H new ATOM 183 N HIS A 12 11.575 -6.952 -3.702 1.00 0.00 N ATOM 184 CA HIS A 12 11.834 -6.886 -2.274 1.00 0.00 C ATOM 185 C HIS A 12 10.768 -7.653 -1.502 1.00 0.00 C ATOM 186 O HIS A 12 9.610 -7.716 -1.916 1.00 0.00 O ATOM 187 CB HIS A 12 11.869 -5.423 -1.836 1.00 0.00 C ATOM 188 CG HIS A 12 12.607 -5.164 -0.562 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.851 -5.677 -0.279 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.265 -4.396 0.506 1.00 0.00 C ATOM 191 CE1 HIS A 12 14.219 -5.221 0.928 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.290 -4.439 1.445 1.00 0.00 N ATOM 0 H HIS A 12 10.592 -6.859 -3.956 1.00 0.00 H new ATOM 0 HA HIS A 12 12.798 -7.347 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.326 -4.832 -2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.845 -5.068 -1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.344 -3.841 0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.153 -5.462 1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.318 -3.964 2.347 1.00 0.00 H new ATOM 200 N LYS A 13 11.172 -8.248 -0.387 1.00 0.00 N ATOM 201 CA LYS A 13 10.259 -9.035 0.441 1.00 0.00 C ATOM 202 C LYS A 13 9.334 -8.150 1.272 1.00 0.00 C ATOM 203 O LYS A 13 9.623 -6.978 1.515 1.00 0.00 O ATOM 204 CB LYS A 13 11.052 -9.963 1.367 1.00 0.00 C ATOM 205 CG LYS A 13 10.262 -11.172 1.846 1.00 0.00 C ATOM 206 CD LYS A 13 11.109 -12.080 2.728 1.00 0.00 C ATOM 207 CE LYS A 13 10.894 -11.787 4.204 1.00 0.00 C ATOM 208 NZ LYS A 13 12.005 -12.315 5.043 1.00 0.00 N ATOM 0 H LYS A 13 12.127 -8.202 -0.032 1.00 0.00 H new ATOM 0 HA LYS A 13 9.640 -9.627 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.944 -10.307 0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.390 -9.395 2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.386 -10.838 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.899 -11.735 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.861 -13.121 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.162 -11.949 2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.808 -10.710 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.952 -12.230 4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.820 -12.095 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.071 -13.346 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.900 -11.874 4.751 1.00 0.00 H new ATOM 222 N CYS A 14 8.222 -8.734 1.715 1.00 0.00 N ATOM 223 CA CYS A 14 7.243 -8.026 2.535 1.00 0.00 C ATOM 224 C CYS A 14 6.148 -8.980 3.010 1.00 0.00 C ATOM 225 O CYS A 14 5.471 -9.611 2.201 1.00 0.00 O ATOM 226 CB CYS A 14 6.619 -6.862 1.760 1.00 0.00 C ATOM 227 SG CYS A 14 6.057 -7.289 0.077 1.00 0.00 S ATOM 0 H CYS A 14 7.976 -9.704 1.517 1.00 0.00 H new ATOM 0 HA CYS A 14 7.764 -7.625 3.404 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.770 -6.478 2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.348 -6.055 1.692 1.00 0.00 H new ATOM 232 N VAL A 15 5.981 -9.082 4.324 1.00 0.00 N ATOM 233 CA VAL A 15 4.966 -9.962 4.900 1.00 0.00 C ATOM 234 C VAL A 15 3.640 -9.229 5.082 1.00 0.00 C ATOM 235 O VAL A 15 2.569 -9.836 5.022 1.00 0.00 O ATOM 236 CB VAL A 15 5.413 -10.523 6.262 1.00 0.00 C ATOM 237 CG1 VAL A 15 6.581 -11.482 6.089 1.00 0.00 C ATOM 238 CG2 VAL A 15 5.774 -9.392 7.214 1.00 0.00 C ATOM 0 H VAL A 15 6.533 -8.568 5.011 1.00 0.00 H new ATOM 0 HA VAL A 15 4.833 -10.786 4.200 1.00 0.00 H new ATOM 0 HB VAL A 15 4.581 -11.078 6.696 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.882 -11.868 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.280 -12.310 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.419 -10.956 5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.087 -9.808 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.588 -8.805 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.905 -8.751 7.364 1.00 0.00 H new ATOM 248 N TYR A 16 3.721 -7.923 5.308 1.00 0.00 N ATOM 249 CA TYR A 16 2.533 -7.100 5.503 1.00 0.00 C ATOM 250 C TYR A 16 1.853 -6.791 4.170 1.00 0.00 C ATOM 251 O TYR A 16 0.665 -6.468 4.131 1.00 0.00 O ATOM 252 CB TYR A 16 2.910 -5.795 6.211 1.00 0.00 C ATOM 253 CG TYR A 16 2.507 -5.746 7.670 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.483 -6.896 8.447 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.156 -4.544 8.267 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.119 -6.849 9.779 1.00 0.00 C ATOM 257 CE2 TYR A 16 1.791 -4.488 9.596 1.00 0.00 C ATOM 258 CZ TYR A 16 1.774 -5.643 10.349 1.00 0.00 C ATOM 259 OH TYR A 16 1.410 -5.591 11.674 1.00 0.00 O ATOM 0 H TYR A 16 4.601 -7.409 5.361 1.00 0.00 H new ATOM 0 HA TYR A 16 1.831 -7.658 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.988 -5.652 6.138 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.442 -4.961 5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.753 -7.843 8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.169 -3.637 7.681 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.105 -7.753 10.370 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.520 -3.544 10.045 1.00 0.00 H new ATOM 0 HH TYR A 16 1.198 -4.666 11.919 1.00 0.00 H new ATOM 269 N CYS A 17 2.612 -6.883 3.082 1.00 0.00 N ATOM 270 CA CYS A 17 2.076 -6.608 1.754 1.00 0.00 C ATOM 271 C CYS A 17 1.161 -7.738 1.291 1.00 0.00 C ATOM 272 O CYS A 17 0.099 -7.496 0.717 1.00 0.00 O ATOM 273 CB CYS A 17 3.216 -6.403 0.747 1.00 0.00 C ATOM 274 SG CYS A 17 4.142 -7.921 0.336 1.00 0.00 S ATOM 0 H CYS A 17 3.598 -7.145 3.094 1.00 0.00 H new ATOM 0 HA CYS A 17 1.488 -5.692 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.803 -5.985 -0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.911 -5.666 1.149 1.00 0.00 H new ATOM 279 N ASP A 18 1.580 -8.973 1.548 1.00 0.00 N ATOM 280 CA ASP A 18 0.806 -10.146 1.156 1.00 0.00 C ATOM 281 C ASP A 18 -0.388 -10.359 2.084 1.00 0.00 C ATOM 282 O ASP A 18 -1.408 -10.919 1.679 1.00 0.00 O ATOM 283 CB ASP A 18 1.698 -11.390 1.163 1.00 0.00 C ATOM 284 CG ASP A 18 2.281 -11.689 -0.204 1.00 0.00 C ATOM 285 OD1 ASP A 18 3.295 -11.057 -0.568 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.722 -12.552 -0.912 1.00 0.00 O ATOM 0 H ASP A 18 2.454 -9.188 2.028 1.00 0.00 H new ATOM 0 HA ASP A 18 0.427 -9.976 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.509 -11.249 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.118 -12.248 1.504 1.00 0.00 H new ATOM 291 N ASN A 19 -0.252 -9.918 3.331 1.00 0.00 N ATOM 292 CA ASN A 19 -1.318 -10.069 4.314 1.00 0.00 C ATOM 293 C ASN A 19 -2.450 -9.078 4.058 1.00 0.00 C ATOM 294 O ASN A 19 -3.626 -9.414 4.197 1.00 0.00 O ATOM 295 CB ASN A 19 -0.765 -9.882 5.727 1.00 0.00 C ATOM 296 CG ASN A 19 0.211 -10.976 6.113 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.342 -11.982 5.417 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.901 -10.784 7.232 1.00 0.00 N ATOM 0 H ASN A 19 0.585 -9.454 3.684 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.722 -11.077 4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.268 -8.914 5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.590 -9.867 6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.571 -11.486 7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.760 -9.934 7.778 1.00 0.00 H new ATOM 305 N ALA A 20 -2.090 -7.855 3.682 1.00 0.00 N ATOM 306 CA ALA A 20 -3.081 -6.821 3.405 1.00 0.00 C ATOM 307 C ALA A 20 -3.864 -7.139 2.136 1.00 0.00 C ATOM 308 O ALA A 20 -5.071 -6.905 2.064 1.00 0.00 O ATOM 309 CB ALA A 20 -2.407 -5.463 3.286 1.00 0.00 C ATOM 0 H ALA A 20 -1.122 -7.556 3.562 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.784 -6.793 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.158 -4.701 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.898 -5.226 4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.681 -5.487 2.473 1.00 0.00 H new ATOM 315 N LYS A 21 -3.172 -7.680 1.138 1.00 0.00 N ATOM 316 CA LYS A 21 -3.804 -8.032 -0.129 1.00 0.00 C ATOM 317 C LYS A 21 -4.911 -9.057 0.089 1.00 0.00 C ATOM 318 O LYS A 21 -6.061 -8.833 -0.290 1.00 0.00 O ATOM 319 CB LYS A 21 -2.764 -8.588 -1.105 1.00 0.00 C ATOM 320 CG LYS A 21 -3.344 -8.980 -2.455 1.00 0.00 C ATOM 321 CD LYS A 21 -2.429 -9.942 -3.194 1.00 0.00 C ATOM 322 CE LYS A 21 -3.211 -10.833 -4.145 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.383 -11.958 -4.661 1.00 0.00 N ATOM 0 H LYS A 21 -2.174 -7.884 1.182 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.243 -7.129 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.985 -7.841 -1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.287 -9.460 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.321 -9.442 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.499 -8.086 -3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.682 -9.379 -3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.891 -10.559 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.086 -11.232 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.576 -10.238 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.953 -12.542 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.561 -11.578 -5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.055 -12.541 -3.865 1.00 0.00 H new ATOM 337 N ARG A 22 -4.559 -10.180 0.706 1.00 0.00 N ATOM 338 CA ARG A 22 -5.530 -11.233 0.977 1.00 0.00 C ATOM 339 C ARG A 22 -6.634 -10.714 1.891 1.00 0.00 C ATOM 340 O ARG A 22 -7.780 -11.158 1.812 1.00 0.00 O ATOM 341 CB ARG A 22 -4.848 -12.449 1.610 1.00 0.00 C ATOM 342 CG ARG A 22 -4.107 -12.134 2.897 1.00 0.00 C ATOM 343 CD ARG A 22 -4.999 -12.321 4.114 1.00 0.00 C ATOM 344 NE ARG A 22 -4.877 -13.663 4.680 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.861 -14.055 5.445 1.00 0.00 C ATOM 346 NH1 ARG A 22 -2.879 -13.213 5.738 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.827 -15.294 5.918 1.00 0.00 N ATOM 0 H ARG A 22 -3.612 -10.384 1.027 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.973 -11.541 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.600 -13.212 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.147 -12.875 0.893 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.233 -12.780 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.742 -11.107 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.738 -11.583 4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.037 -12.138 3.835 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.614 -14.339 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.900 -12.259 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.103 -13.519 6.325 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.579 -15.946 5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.048 -15.595 6.504 1.00 0.00 H new ATOM 361 N LEU A 23 -6.282 -9.762 2.751 1.00 0.00 N ATOM 362 CA LEU A 23 -7.244 -9.167 3.674 1.00 0.00 C ATOM 363 C LEU A 23 -8.457 -8.644 2.911 1.00 0.00 C ATOM 364 O LEU A 23 -9.600 -8.887 3.297 1.00 0.00 O ATOM 365 CB LEU A 23 -6.584 -8.027 4.458 1.00 0.00 C ATOM 366 CG LEU A 23 -7.299 -7.619 5.748 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.501 -6.556 6.490 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.699 -7.114 5.443 1.00 0.00 C ATOM 0 H LEU A 23 -5.337 -9.386 2.828 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.576 -9.933 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.564 -8.321 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.515 -7.154 3.809 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.379 -8.498 6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.026 -6.279 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.516 -6.950 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.389 -5.677 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.193 -6.828 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.638 -6.249 4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.272 -7.902 4.955 1.00 0.00 H new ATOM 380 N LEU A 24 -8.195 -7.934 1.819 1.00 0.00 N ATOM 381 CA LEU A 24 -9.261 -7.382 0.991 1.00 0.00 C ATOM 382 C LEU A 24 -10.058 -8.499 0.326 1.00 0.00 C ATOM 383 O LEU A 24 -11.288 -8.507 0.368 1.00 0.00 O ATOM 384 CB LEU A 24 -8.678 -6.454 -0.075 1.00 0.00 C ATOM 385 CG LEU A 24 -7.929 -5.235 0.469 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.652 -4.997 -0.320 1.00 0.00 C ATOM 387 CD2 LEU A 24 -8.816 -4.003 0.428 1.00 0.00 C ATOM 0 H LEU A 24 -7.253 -7.727 1.487 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.930 -6.810 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.998 -7.029 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.488 -6.107 -0.716 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.661 -5.432 1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.133 -4.126 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.007 -5.872 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.899 -4.822 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.267 -3.146 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.115 -3.804 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.704 -4.173 1.037 1.00 0.00 H new ATOM 399 N THR A 25 -9.347 -9.445 -0.282 1.00 0.00 N ATOM 400 CA THR A 25 -9.990 -10.571 -0.951 1.00 0.00 C ATOM 401 C THR A 25 -10.901 -11.318 0.017 1.00 0.00 C ATOM 402 O THR A 25 -11.972 -11.793 -0.360 1.00 0.00 O ATOM 403 CB THR A 25 -8.936 -11.525 -1.518 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.961 -10.812 -2.259 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.518 -12.585 -2.428 1.00 0.00 C ATOM 0 H THR A 25 -8.328 -9.454 -0.325 1.00 0.00 H new ATOM 0 HA THR A 25 -10.594 -10.183 -1.772 1.00 0.00 H new ATOM 0 HB THR A 25 -8.493 -12.015 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.295 -11.439 -2.612 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.718 -13.228 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.239 -13.185 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.016 -12.107 -3.271 1.00 0.00 H new ATOM 413 N VAL A 26 -10.467 -11.407 1.270 1.00 0.00 N ATOM 414 CA VAL A 26 -11.239 -12.083 2.304 1.00 0.00 C ATOM 415 C VAL A 26 -12.453 -11.250 2.703 1.00 0.00 C ATOM 416 O VAL A 26 -13.499 -11.790 3.063 1.00 0.00 O ATOM 417 CB VAL A 26 -10.376 -12.356 3.554 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.168 -13.117 4.606 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.116 -13.120 3.174 1.00 0.00 C ATOM 0 H VAL A 26 -9.582 -11.018 1.594 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.574 -13.034 1.891 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.083 -11.397 3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.537 -13.297 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.037 -12.530 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.498 -14.071 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.519 -13.304 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.391 -14.071 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.534 -12.532 2.464 1.00 0.00 H new ATOM 429 N LYS A 27 -12.303 -9.932 2.631 1.00 0.00 N ATOM 430 CA LYS A 27 -13.385 -9.017 2.977 1.00 0.00 C ATOM 431 C LYS A 27 -14.315 -8.785 1.786 1.00 0.00 C ATOM 432 O LYS A 27 -15.382 -8.188 1.931 1.00 0.00 O ATOM 433 CB LYS A 27 -12.812 -7.681 3.458 1.00 0.00 C ATOM 434 CG LYS A 27 -12.594 -7.616 4.962 1.00 0.00 C ATOM 435 CD LYS A 27 -13.754 -6.930 5.664 1.00 0.00 C ATOM 436 CE LYS A 27 -14.074 -7.598 6.992 1.00 0.00 C ATOM 437 NZ LYS A 27 -14.989 -8.760 6.823 1.00 0.00 N ATOM 0 H LYS A 27 -11.441 -9.473 2.336 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.966 -9.471 3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.863 -7.500 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.488 -6.878 3.163 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.474 -8.625 5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.670 -7.078 5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.510 -5.881 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.635 -6.953 5.022 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.149 -7.930 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.531 -6.871 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.182 -9.187 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.882 -8.440 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.543 -9.466 6.203 1.00 0.00 H new ATOM 451 N LYS A 28 -13.906 -9.257 0.609 1.00 0.00 N ATOM 452 CA LYS A 28 -14.705 -9.098 -0.604 1.00 0.00 C ATOM 453 C LYS A 28 -14.704 -7.645 -1.070 1.00 0.00 C ATOM 454 O LYS A 28 -15.756 -7.021 -1.200 1.00 0.00 O ATOM 455 CB LYS A 28 -16.140 -9.573 -0.368 1.00 0.00 C ATOM 456 CG LYS A 28 -16.229 -10.896 0.374 1.00 0.00 C ATOM 457 CD LYS A 28 -15.485 -11.999 -0.362 1.00 0.00 C ATOM 458 CE LYS A 28 -16.242 -12.453 -1.598 1.00 0.00 C ATOM 459 NZ LYS A 28 -17.454 -13.244 -1.246 1.00 0.00 N ATOM 0 H LYS A 28 -13.025 -9.753 0.470 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.256 -9.711 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.677 -8.812 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.644 -9.671 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.814 -10.781 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.275 -11.178 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.496 -11.642 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.336 -12.847 0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.534 -11.582 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.585 -13.055 -2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.838 -13.691 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.200 -13.980 -0.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.171 -12.615 -0.833 1.00 0.00 H new ATOM 473 N GLN A 29 -13.512 -7.112 -1.323 1.00 0.00 N ATOM 474 CA GLN A 29 -13.375 -5.734 -1.772 1.00 0.00 C ATOM 475 C GLN A 29 -12.377 -5.628 -2.924 1.00 0.00 C ATOM 476 O GLN A 29 -11.327 -6.269 -2.902 1.00 0.00 O ATOM 477 CB GLN A 29 -12.922 -4.843 -0.613 1.00 0.00 C ATOM 478 CG GLN A 29 -14.072 -4.266 0.196 1.00 0.00 C ATOM 479 CD GLN A 29 -14.329 -2.805 -0.115 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.824 -2.268 -1.101 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.121 -2.151 0.728 1.00 0.00 N ATOM 0 H GLN A 29 -12.630 -7.614 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.349 -5.398 -2.127 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.278 -5.422 0.049 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.320 -4.025 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.976 -4.841 -0.004 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.854 -4.374 1.258 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.519 -2.635 1.533 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.331 -1.165 0.570 1.00 0.00 H new ATOM 490 N PRO A 30 -12.686 -4.805 -3.942 1.00 0.00 N ATOM 491 CA PRO A 30 -11.804 -4.611 -5.094 1.00 0.00 C ATOM 492 C PRO A 30 -10.669 -3.649 -4.774 1.00 0.00 C ATOM 493 O PRO A 30 -10.871 -2.664 -4.065 1.00 0.00 O ATOM 494 CB PRO A 30 -12.737 -3.997 -6.131 1.00 0.00 C ATOM 495 CG PRO A 30 -13.690 -3.195 -5.317 1.00 0.00 C ATOM 496 CD PRO A 30 -13.912 -3.985 -4.052 1.00 0.00 C ATOM 0 HA PRO A 30 -11.324 -5.534 -5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.193 -3.373 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.252 -4.764 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.282 -2.209 -5.096 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.627 -3.040 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.038 -3.333 -3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.806 -4.605 -4.117 1.00 0.00 H new ATOM 504 N PHE A 31 -9.481 -3.925 -5.293 1.00 0.00 N ATOM 505 CA PHE A 31 -8.339 -3.060 -5.039 1.00 0.00 C ATOM 506 C PHE A 31 -7.248 -3.226 -6.091 1.00 0.00 C ATOM 507 O PHE A 31 -7.298 -4.140 -6.914 1.00 0.00 O ATOM 508 CB PHE A 31 -7.773 -3.331 -3.665 1.00 0.00 C ATOM 509 CG PHE A 31 -7.199 -4.700 -3.544 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.032 -5.784 -3.368 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.838 -4.905 -3.628 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.520 -7.057 -3.273 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.313 -6.175 -3.536 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.155 -7.258 -3.357 1.00 0.00 C ATOM 0 H PHE A 31 -9.284 -4.731 -5.886 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.695 -2.031 -5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.000 -2.596 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.559 -3.203 -2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.099 -5.632 -3.304 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.178 -4.062 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.183 -7.898 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.246 -6.325 -3.603 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.748 -8.256 -3.283 1.00 0.00 H new ATOM 524 N GLU A 32 -6.255 -2.339 -6.048 1.00 0.00 N ATOM 525 CA GLU A 32 -5.145 -2.396 -6.996 1.00 0.00 C ATOM 526 C GLU A 32 -3.824 -2.051 -6.318 1.00 0.00 C ATOM 527 O GLU A 32 -3.739 -1.099 -5.543 1.00 0.00 O ATOM 528 CB GLU A 32 -5.391 -1.447 -8.171 1.00 0.00 C ATOM 529 CG GLU A 32 -5.918 -2.148 -9.414 1.00 0.00 C ATOM 530 CD GLU A 32 -6.131 -1.195 -10.575 1.00 0.00 C ATOM 531 OE1 GLU A 32 -5.191 -0.442 -10.906 1.00 0.00 O ATOM 532 OE2 GLU A 32 -7.238 -1.204 -11.154 1.00 0.00 O ATOM 0 H GLU A 32 -6.197 -1.578 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.083 -3.417 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.103 -0.680 -7.866 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.460 -0.937 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.216 -2.927 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.860 -2.642 -9.176 1.00 0.00 H new ATOM 539 N PHE A 33 -2.797 -2.839 -6.617 1.00 0.00 N ATOM 540 CA PHE A 33 -1.478 -2.637 -6.048 1.00 0.00 C ATOM 541 C PHE A 33 -0.642 -1.703 -6.918 1.00 0.00 C ATOM 542 O PHE A 33 -0.919 -1.529 -8.104 1.00 0.00 O ATOM 543 CB PHE A 33 -0.776 -3.986 -5.919 1.00 0.00 C ATOM 544 CG PHE A 33 0.412 -3.951 -5.015 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.242 -3.875 -3.648 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.693 -3.991 -5.532 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.335 -3.838 -2.803 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.792 -3.954 -4.695 1.00 0.00 C ATOM 549 CZ PHE A 33 2.611 -3.877 -3.327 1.00 0.00 C ATOM 0 H PHE A 33 -2.859 -3.630 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.588 -2.177 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.487 -4.723 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.461 -4.320 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.755 -3.844 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.837 -4.052 -6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.191 -3.779 -1.734 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.789 -3.985 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.467 -3.847 -2.669 1.00 0.00 H new ATOM 559 N ILE A 34 0.393 -1.118 -6.321 1.00 0.00 N ATOM 560 CA ILE A 34 1.286 -0.219 -7.039 1.00 0.00 C ATOM 561 C ILE A 34 2.727 -0.467 -6.632 1.00 0.00 C ATOM 562 O ILE A 34 3.106 -0.293 -5.474 1.00 0.00 O ATOM 563 CB ILE A 34 0.936 1.256 -6.814 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.570 1.457 -6.955 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.688 2.136 -7.802 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.028 2.866 -6.663 1.00 0.00 C ATOM 0 H ILE A 34 0.633 -1.252 -5.339 1.00 0.00 H new ATOM 0 HA ILE A 34 1.160 -0.432 -8.101 1.00 0.00 H new ATOM 0 HB ILE A 34 1.236 1.542 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.869 1.191 -7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.083 0.771 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.429 3.181 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.761 2.001 -7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.414 1.857 -8.819 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.109 2.930 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.761 3.131 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.544 3.556 -7.354 1.00 0.00 H new ATOM 578 N ASN A 35 3.511 -0.895 -7.600 1.00 0.00 N ATOM 579 CA ASN A 35 4.919 -1.204 -7.382 1.00 0.00 C ATOM 580 C ASN A 35 5.793 0.032 -7.547 1.00 0.00 C ATOM 581 O ASN A 35 5.814 0.656 -8.608 1.00 0.00 O ATOM 582 CB ASN A 35 5.371 -2.293 -8.357 1.00 0.00 C ATOM 583 CG ASN A 35 6.478 -3.157 -7.789 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.015 -2.876 -6.717 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.825 -4.218 -8.508 1.00 0.00 N ATOM 0 H ASN A 35 3.196 -1.040 -8.559 1.00 0.00 H new ATOM 0 HA ASN A 35 5.029 -1.561 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.519 -2.922 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.715 -1.829 -9.281 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.564 -4.839 -8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.353 -4.412 -9.391 1.00 0.00 H new ATOM 592 N ILE A 36 6.522 0.374 -6.489 1.00 0.00 N ATOM 593 CA ILE A 36 7.409 1.529 -6.510 1.00 0.00 C ATOM 594 C ILE A 36 8.852 1.100 -6.738 1.00 0.00 C ATOM 595 O ILE A 36 9.785 1.723 -6.234 1.00 0.00 O ATOM 596 CB ILE A 36 7.313 2.328 -5.199 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.759 1.475 -4.009 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.890 2.818 -5.001 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.495 2.262 -2.945 1.00 0.00 C ATOM 0 H ILE A 36 6.515 -0.135 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 36 7.091 2.168 -7.334 1.00 0.00 H new ATOM 0 HB ILE A 36 7.979 3.188 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.884 1.004 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.404 0.673 -4.368 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.826 3.383 -4.071 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.606 3.459 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.214 1.964 -4.953 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.781 1.595 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.389 2.711 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.845 3.047 -2.558 1.00 0.00 H new ATOM 611 N MET A 37 9.020 0.026 -7.499 1.00 0.00 N ATOM 612 CA MET A 37 10.344 -0.507 -7.800 1.00 0.00 C ATOM 613 C MET A 37 10.416 -1.027 -9.235 1.00 0.00 C ATOM 614 O MET A 37 10.232 -2.219 -9.481 1.00 0.00 O ATOM 615 CB MET A 37 10.695 -1.631 -6.828 1.00 0.00 C ATOM 616 CG MET A 37 11.749 -1.250 -5.812 1.00 0.00 C ATOM 617 SD MET A 37 12.118 -2.596 -4.675 1.00 0.00 S ATOM 618 CE MET A 37 13.528 -1.913 -3.819 1.00 0.00 C ATOM 0 H MET A 37 8.252 -0.496 -7.921 1.00 0.00 H new ATOM 0 HA MET A 37 11.064 0.304 -7.690 1.00 0.00 H new ATOM 0 HB2 MET A 37 9.791 -1.940 -6.302 1.00 0.00 H new ATOM 0 HB3 MET A 37 11.045 -2.494 -7.395 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.661 -0.955 -6.331 1.00 0.00 H new ATOM 0 HG3 MET A 37 11.409 -0.382 -5.247 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.254 -2.703 -3.625 1.00 0.00 H new ATOM 0 HE2 MET A 37 13.988 -1.140 -4.435 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.204 -1.478 -2.873 1.00 0.00 H new ATOM 628 N PRO A 38 10.681 -0.137 -10.206 1.00 0.00 N ATOM 629 CA PRO A 38 10.776 -0.513 -11.621 1.00 0.00 C ATOM 630 C PRO A 38 11.984 -1.403 -11.913 1.00 0.00 C ATOM 631 O PRO A 38 12.123 -1.928 -13.017 1.00 0.00 O ATOM 632 CB PRO A 38 10.926 0.830 -12.341 1.00 0.00 C ATOM 633 CG PRO A 38 11.483 1.751 -11.313 1.00 0.00 C ATOM 634 CD PRO A 38 10.903 1.303 -10.002 1.00 0.00 C ATOM 0 HA PRO A 38 9.910 -1.093 -11.940 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.592 0.746 -13.200 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.967 1.188 -12.715 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.572 1.704 -11.295 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.212 2.785 -11.527 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.586 1.492 -9.174 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.974 1.825 -9.774 1.00 0.00 H new ATOM 642 N GLU A 39 12.858 -1.567 -10.923 1.00 0.00 N ATOM 643 CA GLU A 39 14.048 -2.390 -11.091 1.00 0.00 C ATOM 644 C GLU A 39 14.308 -3.235 -9.849 1.00 0.00 C ATOM 645 O GLU A 39 13.662 -3.057 -8.818 1.00 0.00 O ATOM 646 CB GLU A 39 15.263 -1.512 -11.396 1.00 0.00 C ATOM 647 CG GLU A 39 15.535 -1.350 -12.882 1.00 0.00 C ATOM 648 CD GLU A 39 16.068 0.026 -13.232 1.00 0.00 C ATOM 649 OE1 GLU A 39 15.621 1.012 -12.609 1.00 0.00 O ATOM 650 OE2 GLU A 39 16.931 0.117 -14.130 1.00 0.00 O ATOM 0 H GLU A 39 12.763 -1.142 -10.001 1.00 0.00 H new ATOM 0 HA GLU A 39 13.878 -3.063 -11.932 1.00 0.00 H new ATOM 0 HB2 GLU A 39 15.111 -0.528 -10.953 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.143 -1.944 -10.918 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.253 -2.105 -13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.615 -1.531 -13.438 1.00 0.00 H new ATOM 657 N LYS A 40 15.253 -4.164 -9.966 1.00 0.00 N ATOM 658 CA LYS A 40 15.600 -5.067 -8.868 1.00 0.00 C ATOM 659 C LYS A 40 16.210 -4.354 -7.670 1.00 0.00 C ATOM 660 O LYS A 40 16.454 -4.965 -6.629 1.00 0.00 O ATOM 661 CB LYS A 40 16.541 -6.169 -9.359 1.00 0.00 C ATOM 662 CG LYS A 40 15.816 -7.410 -9.857 1.00 0.00 C ATOM 663 CD LYS A 40 15.252 -7.201 -11.251 1.00 0.00 C ATOM 664 CE LYS A 40 14.785 -8.512 -11.865 1.00 0.00 C ATOM 665 NZ LYS A 40 13.765 -9.190 -11.017 1.00 0.00 N ATOM 0 H LYS A 40 15.797 -4.313 -10.816 1.00 0.00 H new ATOM 0 HA LYS A 40 14.663 -5.507 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 40 17.162 -5.774 -10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 40 17.212 -6.451 -8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.503 -8.256 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.008 -7.661 -9.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.417 -6.501 -11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.012 -6.750 -11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.367 -8.321 -12.853 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.640 -9.173 -12.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.374 -10.006 -11.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.208 -9.516 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.000 -8.522 -10.794 1.00 0.00 H new ATOM 679 N GLY A 41 16.466 -3.076 -7.827 1.00 0.00 N ATOM 680 CA GLY A 41 17.055 -2.299 -6.749 1.00 0.00 C ATOM 681 C GLY A 41 16.958 -0.804 -6.974 1.00 0.00 C ATOM 682 O GLY A 41 17.854 -0.051 -6.591 1.00 0.00 O ATOM 0 H GLY A 41 16.279 -2.551 -8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.558 -2.553 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.103 -2.577 -6.639 1.00 0.00 H new ATOM 686 N VAL A 42 15.863 -0.372 -7.586 1.00 0.00 N ATOM 687 CA VAL A 42 15.646 1.042 -7.852 1.00 0.00 C ATOM 688 C VAL A 42 14.163 1.372 -7.831 1.00 0.00 C ATOM 689 O VAL A 42 13.373 0.749 -8.536 1.00 0.00 O ATOM 690 CB VAL A 42 16.228 1.465 -9.213 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.312 2.981 -9.313 1.00 0.00 C ATOM 692 CG2 VAL A 42 17.593 0.834 -9.432 1.00 0.00 C ATOM 0 H VAL A 42 15.111 -0.982 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 42 16.160 1.592 -7.064 1.00 0.00 H new ATOM 0 HB VAL A 42 15.559 1.109 -9.997 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.726 3.259 -10.282 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.315 3.408 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.956 3.363 -8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.987 1.146 -10.399 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.273 1.155 -8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.500 -0.252 -9.411 1.00 0.00 H new ATOM 702 N PHE A 43 13.792 2.353 -7.019 1.00 0.00 N ATOM 703 CA PHE A 43 12.395 2.766 -6.911 1.00 0.00 C ATOM 704 C PHE A 43 11.976 3.602 -8.117 1.00 0.00 C ATOM 705 O PHE A 43 12.811 4.014 -8.921 1.00 0.00 O ATOM 706 CB PHE A 43 12.155 3.573 -5.632 1.00 0.00 C ATOM 707 CG PHE A 43 12.919 3.083 -4.436 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.176 1.731 -4.251 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.380 3.986 -3.490 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.879 1.297 -3.141 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.081 3.554 -2.382 1.00 0.00 C ATOM 712 CZ PHE A 43 14.331 2.209 -2.208 1.00 0.00 C ATOM 0 H PHE A 43 14.435 2.878 -6.426 1.00 0.00 H new ATOM 0 HA PHE A 43 11.793 1.858 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.423 4.613 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.090 3.555 -5.400 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.825 1.014 -4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.188 5.041 -3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.074 0.244 -3.004 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.433 4.268 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.880 1.869 -1.342 1.00 0.00 H new ATOM 722 N ASP A 44 10.673 3.856 -8.227 1.00 0.00 N ATOM 723 CA ASP A 44 10.134 4.647 -9.328 1.00 0.00 C ATOM 724 C ASP A 44 9.871 6.083 -8.887 1.00 0.00 C ATOM 725 O ASP A 44 8.975 6.340 -8.083 1.00 0.00 O ATOM 726 CB ASP A 44 8.836 4.022 -9.848 1.00 0.00 C ATOM 727 CG ASP A 44 8.880 3.755 -11.339 1.00 0.00 C ATOM 728 OD1 ASP A 44 9.208 4.689 -12.101 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.582 2.612 -11.747 1.00 0.00 O ATOM 0 H ASP A 44 9.971 3.524 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 44 10.873 4.657 -10.129 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.649 3.087 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.001 4.687 -9.625 1.00 0.00 H new ATOM 734 N ASP A 45 10.645 7.019 -9.425 1.00 0.00 N ATOM 735 CA ASP A 45 10.482 8.430 -9.087 1.00 0.00 C ATOM 736 C ASP A 45 9.042 8.877 -9.326 1.00 0.00 C ATOM 737 O ASP A 45 8.518 9.728 -8.607 1.00 0.00 O ATOM 738 CB ASP A 45 11.438 9.290 -9.915 1.00 0.00 C ATOM 739 CG ASP A 45 11.879 10.539 -9.177 1.00 0.00 C ATOM 740 OD1 ASP A 45 11.142 11.546 -9.221 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.962 10.509 -8.554 1.00 0.00 O ATOM 0 H ASP A 45 11.390 6.828 -10.095 1.00 0.00 H new ATOM 0 HA ASP A 45 10.717 8.557 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.315 8.700 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.951 9.575 -10.847 1.00 0.00 H new ATOM 746 N GLU A 46 8.409 8.289 -10.336 1.00 0.00 N ATOM 747 CA GLU A 46 7.028 8.618 -10.669 1.00 0.00 C ATOM 748 C GLU A 46 6.090 8.202 -9.540 1.00 0.00 C ATOM 749 O GLU A 46 5.283 9.001 -9.064 1.00 0.00 O ATOM 750 CB GLU A 46 6.615 7.929 -11.970 1.00 0.00 C ATOM 751 CG GLU A 46 7.674 7.996 -13.057 1.00 0.00 C ATOM 752 CD GLU A 46 7.077 8.026 -14.451 1.00 0.00 C ATOM 753 OE1 GLU A 46 6.037 8.693 -14.638 1.00 0.00 O ATOM 754 OE2 GLU A 46 7.649 7.382 -15.356 1.00 0.00 O ATOM 0 H GLU A 46 8.831 7.582 -10.938 1.00 0.00 H new ATOM 0 HA GLU A 46 6.957 9.697 -10.803 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.387 6.884 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.698 8.388 -12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.286 8.886 -12.909 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.336 7.135 -12.968 1.00 0.00 H new ATOM 761 N LYS A 47 6.208 6.949 -9.114 1.00 0.00 N ATOM 762 CA LYS A 47 5.378 6.431 -8.036 1.00 0.00 C ATOM 763 C LYS A 47 5.681 7.161 -6.735 1.00 0.00 C ATOM 764 O LYS A 47 4.774 7.538 -5.994 1.00 0.00 O ATOM 765 CB LYS A 47 5.606 4.928 -7.859 1.00 0.00 C ATOM 766 CG LYS A 47 5.454 4.133 -9.146 1.00 0.00 C ATOM 767 CD LYS A 47 4.006 4.087 -9.605 1.00 0.00 C ATOM 768 CE LYS A 47 3.902 3.782 -11.091 1.00 0.00 C ATOM 769 NZ LYS A 47 3.898 5.023 -11.914 1.00 0.00 N ATOM 0 H LYS A 47 6.870 6.275 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 47 4.333 6.598 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.606 4.766 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.901 4.547 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.070 4.580 -9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.821 3.118 -8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.467 3.328 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.526 5.043 -9.394 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.738 3.150 -11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.990 3.217 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.131 4.787 -12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.956 5.461 -11.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.604 5.689 -11.541 1.00 0.00 H new ATOM 783 N ILE A 48 6.966 7.368 -6.468 1.00 0.00 N ATOM 784 CA ILE A 48 7.391 8.065 -5.260 1.00 0.00 C ATOM 785 C ILE A 48 6.914 9.515 -5.293 1.00 0.00 C ATOM 786 O ILE A 48 6.549 10.084 -4.264 1.00 0.00 O ATOM 787 CB ILE A 48 8.934 8.023 -5.104 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.373 6.717 -4.437 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.444 9.217 -4.305 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.929 5.476 -5.177 1.00 0.00 C ATOM 0 H ILE A 48 7.730 7.063 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 48 6.945 7.558 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 48 9.368 8.073 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.460 6.710 -4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.975 6.686 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.529 9.157 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.173 10.140 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.996 9.208 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.277 4.591 -4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.841 5.458 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.349 5.483 -6.183 1.00 0.00 H new ATOM 802 N ALA A 49 6.920 10.105 -6.485 1.00 0.00 N ATOM 803 CA ALA A 49 6.491 11.487 -6.658 1.00 0.00 C ATOM 804 C ALA A 49 4.991 11.628 -6.431 1.00 0.00 C ATOM 805 O ALA A 49 4.553 12.386 -5.565 1.00 0.00 O ATOM 806 CB ALA A 49 6.866 11.985 -8.046 1.00 0.00 C ATOM 0 H ALA A 49 7.218 9.646 -7.346 1.00 0.00 H new ATOM 0 HA ALA A 49 7.003 12.097 -5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.540 13.019 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.947 11.929 -8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.380 11.364 -8.799 1.00 0.00 H new ATOM 812 N GLU A 50 4.206 10.894 -7.213 1.00 0.00 N ATOM 813 CA GLU A 50 2.754 10.941 -7.093 1.00 0.00 C ATOM 814 C GLU A 50 2.314 10.545 -5.687 1.00 0.00 C ATOM 815 O GLU A 50 1.341 11.081 -5.157 1.00 0.00 O ATOM 816 CB GLU A 50 2.098 10.025 -8.130 1.00 0.00 C ATOM 817 CG GLU A 50 2.339 8.544 -7.882 1.00 0.00 C ATOM 818 CD GLU A 50 2.296 7.728 -9.159 1.00 0.00 C ATOM 819 OE1 GLU A 50 3.048 8.057 -10.100 1.00 0.00 O ATOM 820 OE2 GLU A 50 1.508 6.760 -9.219 1.00 0.00 O ATOM 0 H GLU A 50 4.550 10.261 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 50 2.433 11.966 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.024 10.212 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.475 10.284 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.309 8.412 -7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.587 8.168 -7.188 1.00 0.00 H new ATOM 827 N LEU A 51 3.044 9.611 -5.082 1.00 0.00 N ATOM 828 CA LEU A 51 2.731 9.156 -3.733 1.00 0.00 C ATOM 829 C LEU A 51 2.756 10.327 -2.759 1.00 0.00 C ATOM 830 O LEU A 51 1.803 10.549 -2.013 1.00 0.00 O ATOM 831 CB LEU A 51 3.723 8.080 -3.286 1.00 0.00 C ATOM 832 CG LEU A 51 3.418 7.434 -1.931 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.932 7.142 -1.797 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.229 6.157 -1.756 1.00 0.00 C ATOM 0 H LEU A 51 3.854 9.157 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 51 1.729 8.726 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.753 7.298 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.719 8.521 -3.244 1.00 0.00 H new ATOM 0 HG LEU A 51 3.701 8.135 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.737 6.683 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.370 8.072 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.622 6.461 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.000 5.711 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.976 5.453 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.292 6.392 -1.805 1.00 0.00 H new ATOM 846 N LEU A 52 3.850 11.087 -2.782 1.00 0.00 N ATOM 847 CA LEU A 52 4.001 12.243 -1.915 1.00 0.00 C ATOM 848 C LEU A 52 2.800 13.171 -2.021 1.00 0.00 C ATOM 849 O LEU A 52 2.255 13.625 -1.015 1.00 0.00 O ATOM 850 CB LEU A 52 5.263 12.969 -2.281 1.00 0.00 C ATOM 851 CG LEU A 52 6.510 12.205 -1.886 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.712 12.933 -2.386 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.570 12.022 -0.379 1.00 0.00 C ATOM 0 H LEU A 52 4.646 10.917 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 52 4.061 11.904 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.276 13.148 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.270 13.945 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 52 6.485 11.213 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.612 12.386 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.662 13.015 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.741 13.931 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.473 11.471 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.586 12.998 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.694 11.465 -0.045 1.00 0.00 H new ATOM 865 N THR A 53 2.386 13.434 -3.255 1.00 0.00 N ATOM 866 CA THR A 53 1.238 14.294 -3.510 1.00 0.00 C ATOM 867 C THR A 53 -0.046 13.596 -3.081 1.00 0.00 C ATOM 868 O THR A 53 -0.979 14.231 -2.589 1.00 0.00 O ATOM 869 CB THR A 53 1.166 14.659 -4.994 1.00 0.00 C ATOM 870 OG1 THR A 53 2.357 15.304 -5.411 1.00 0.00 O ATOM 871 CG2 THR A 53 0.008 15.576 -5.330 1.00 0.00 C ATOM 0 H THR A 53 2.829 13.063 -4.095 1.00 0.00 H new ATOM 0 HA THR A 53 1.353 15.210 -2.930 1.00 0.00 H new ATOM 0 HB THR A 53 1.024 13.713 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.292 15.528 -6.363 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.015 15.795 -6.398 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.931 15.088 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.105 16.505 -4.768 1.00 0.00 H new ATOM 879 N LYS A 54 -0.080 12.279 -3.264 1.00 0.00 N ATOM 880 CA LYS A 54 -1.240 11.484 -2.888 1.00 0.00 C ATOM 881 C LYS A 54 -1.450 11.531 -1.376 1.00 0.00 C ATOM 882 O LYS A 54 -2.578 11.442 -0.891 1.00 0.00 O ATOM 883 CB LYS A 54 -1.068 10.035 -3.357 1.00 0.00 C ATOM 884 CG LYS A 54 -1.842 9.711 -4.624 1.00 0.00 C ATOM 885 CD LYS A 54 -3.343 9.799 -4.400 1.00 0.00 C ATOM 886 CE LYS A 54 -3.961 8.422 -4.222 1.00 0.00 C ATOM 887 NZ LYS A 54 -5.302 8.329 -4.861 1.00 0.00 N ATOM 0 H LYS A 54 0.685 11.741 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.120 11.904 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.009 9.840 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.391 9.363 -2.562 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.551 10.401 -5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.582 8.708 -4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.545 10.407 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.810 10.302 -5.247 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.301 7.669 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.049 8.198 -3.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.690 7.375 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.940 9.030 -4.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.215 8.517 -5.880 1.00 0.00 H new ATOM 901 N LEU A 55 -0.353 11.684 -0.640 1.00 0.00 N ATOM 902 CA LEU A 55 -0.407 11.754 0.817 1.00 0.00 C ATOM 903 C LEU A 55 -1.103 13.033 1.272 1.00 0.00 C ATOM 904 O LEU A 55 -2.215 12.995 1.797 1.00 0.00 O ATOM 905 CB LEU A 55 1.006 11.701 1.401 1.00 0.00 C ATOM 906 CG LEU A 55 1.738 10.357 1.263 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.520 10.056 2.527 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.767 9.224 0.967 1.00 0.00 C ATOM 0 H LEU A 55 0.586 11.762 -1.030 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.978 10.898 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.607 12.472 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.951 11.956 2.459 1.00 0.00 H new ATOM 0 HG LEU A 55 2.428 10.436 0.423 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.035 9.101 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.252 10.845 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.836 10.005 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.317 8.288 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.045 9.142 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.242 9.429 0.034 1.00 0.00 H new ATOM 920 N GLY A 56 -0.434 14.163 1.067 1.00 0.00 N ATOM 921 CA GLY A 56 -0.992 15.443 1.462 1.00 0.00 C ATOM 922 C GLY A 56 0.081 16.486 1.701 1.00 0.00 C ATOM 923 O GLY A 56 -0.070 17.644 1.313 1.00 0.00 O ATOM 0 H GLY A 56 0.488 14.215 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.673 15.795 0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.581 15.316 2.370 1.00 0.00 H new ATOM 927 N ARG A 57 1.169 16.071 2.342 1.00 0.00 N ATOM 928 CA ARG A 57 2.280 16.970 2.637 1.00 0.00 C ATOM 929 C ARG A 57 3.395 16.811 1.608 1.00 0.00 C ATOM 930 O ARG A 57 3.212 16.170 0.574 1.00 0.00 O ATOM 931 CB ARG A 57 2.820 16.694 4.042 1.00 0.00 C ATOM 932 CG ARG A 57 1.749 16.720 5.120 1.00 0.00 C ATOM 933 CD ARG A 57 1.167 18.113 5.297 1.00 0.00 C ATOM 934 NE ARG A 57 1.972 18.933 6.201 1.00 0.00 N ATOM 935 CZ ARG A 57 2.990 19.696 5.807 1.00 0.00 C ATOM 936 NH1 ARG A 57 3.337 19.754 4.527 1.00 0.00 N ATOM 937 NH2 ARG A 57 3.665 20.407 6.701 1.00 0.00 N ATOM 0 H ARG A 57 1.305 15.114 2.668 1.00 0.00 H new ATOM 0 HA ARG A 57 1.913 17.995 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.308 15.720 4.050 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.583 17.435 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.953 16.023 4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.174 16.380 6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.100 18.604 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.152 18.035 5.686 1.00 0.00 H new ATOM 0 HE ARG A 57 1.740 18.920 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.822 19.211 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.118 20.342 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.404 20.368 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.445 20.993 6.403 1.00 0.00 H new ATOM 951 N ASP A 58 4.552 17.400 1.898 1.00 0.00 N ATOM 952 CA ASP A 58 5.696 17.323 0.997 1.00 0.00 C ATOM 953 C ASP A 58 6.648 16.208 1.419 1.00 0.00 C ATOM 954 O ASP A 58 7.317 15.600 0.584 1.00 0.00 O ATOM 955 CB ASP A 58 6.440 18.660 0.970 1.00 0.00 C ATOM 956 CG ASP A 58 6.840 19.127 2.355 1.00 0.00 C ATOM 957 OD1 ASP A 58 7.737 18.499 2.957 1.00 0.00 O ATOM 958 OD2 ASP A 58 6.255 20.118 2.840 1.00 0.00 O ATOM 0 H ASP A 58 4.721 17.935 2.750 1.00 0.00 H new ATOM 0 HA ASP A 58 5.325 17.100 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.332 18.564 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.807 19.415 0.504 1.00 0.00 H new ATOM 963 N THR A 59 6.704 15.947 2.722 1.00 0.00 N ATOM 964 CA THR A 59 7.574 14.907 3.255 1.00 0.00 C ATOM 965 C THR A 59 6.758 13.719 3.758 1.00 0.00 C ATOM 966 O THR A 59 5.540 13.808 3.904 1.00 0.00 O ATOM 967 CB THR A 59 8.436 15.467 4.388 1.00 0.00 C ATOM 968 OG1 THR A 59 9.345 14.487 4.860 1.00 0.00 O ATOM 969 CG2 THR A 59 7.627 15.954 5.571 1.00 0.00 C ATOM 0 H THR A 59 6.157 16.442 3.427 1.00 0.00 H new ATOM 0 HA THR A 59 8.223 14.562 2.450 1.00 0.00 H new ATOM 0 HB THR A 59 8.964 16.317 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.888 14.865 5.583 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.299 16.338 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.953 16.748 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.045 15.127 5.979 1.00 0.00 H new ATOM 977 N GLN A 60 7.441 12.610 4.027 1.00 0.00 N ATOM 978 CA GLN A 60 6.783 11.405 4.516 1.00 0.00 C ATOM 979 C GLN A 60 7.041 11.222 6.006 1.00 0.00 C ATOM 980 O GLN A 60 8.098 10.739 6.413 1.00 0.00 O ATOM 981 CB GLN A 60 7.280 10.178 3.750 1.00 0.00 C ATOM 982 CG GLN A 60 7.375 10.396 2.249 1.00 0.00 C ATOM 983 CD GLN A 60 7.512 9.097 1.478 1.00 0.00 C ATOM 984 OE1 GLN A 60 8.622 8.625 1.228 1.00 0.00 O ATOM 985 NE2 GLN A 60 6.383 8.514 1.093 1.00 0.00 N ATOM 0 H GLN A 60 8.451 12.522 3.914 1.00 0.00 H new ATOM 0 HA GLN A 60 5.710 11.513 4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.261 9.895 4.131 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.609 9.341 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 60 6.486 10.926 1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.231 11.035 2.032 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.485 8.940 1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.414 7.640 0.568 1.00 0.00 H new ATOM 994 N ILE A 61 6.065 11.614 6.810 1.00 0.00 N ATOM 995 CA ILE A 61 6.169 11.504 8.260 1.00 0.00 C ATOM 996 C ILE A 61 6.293 10.047 8.697 1.00 0.00 C ATOM 997 O ILE A 61 5.312 9.422 9.101 1.00 0.00 O ATOM 998 CB ILE A 61 4.954 12.148 8.959 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.100 12.061 10.481 1.00 0.00 C ATOM 1000 CG2 ILE A 61 3.663 11.482 8.506 1.00 0.00 C ATOM 1001 CD1 ILE A 61 6.317 12.786 11.013 1.00 0.00 C ATOM 0 H ILE A 61 5.186 12.014 6.482 1.00 0.00 H new ATOM 0 HA ILE A 61 7.071 12.040 8.556 1.00 0.00 H new ATOM 0 HB ILE A 61 4.914 13.201 8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.207 12.476 10.948 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.155 11.012 10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.817 11.949 9.009 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.553 11.598 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.694 10.421 8.756 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.357 12.683 12.097 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.217 12.356 10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.255 13.842 10.751 1.00 0.00 H new ATOM 1013 N GLY A 62 7.507 9.515 8.616 1.00 0.00 N ATOM 1014 CA GLY A 62 7.744 8.139 9.009 1.00 0.00 C ATOM 1015 C GLY A 62 6.863 7.156 8.264 1.00 0.00 C ATOM 1016 O GLY A 62 6.616 6.049 8.742 1.00 0.00 O ATOM 0 H GLY A 62 8.333 10.013 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.790 7.890 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.570 8.037 10.080 1.00 0.00 H new ATOM 1020 N LEU A 63 6.385 7.559 7.091 1.00 0.00 N ATOM 1021 CA LEU A 63 5.527 6.700 6.282 1.00 0.00 C ATOM 1022 C LEU A 63 6.289 5.467 5.807 1.00 0.00 C ATOM 1023 O LEU A 63 7.465 5.550 5.451 1.00 0.00 O ATOM 1024 CB LEU A 63 4.975 7.476 5.083 1.00 0.00 C ATOM 1025 CG LEU A 63 3.451 7.462 4.949 1.00 0.00 C ATOM 1026 CD1 LEU A 63 2.922 6.038 4.992 1.00 0.00 C ATOM 1027 CD2 LEU A 63 2.814 8.302 6.047 1.00 0.00 C ATOM 0 H LEU A 63 6.577 8.473 6.680 1.00 0.00 H new ATOM 0 HA LEU A 63 4.693 6.371 6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.309 8.511 5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.408 7.064 4.172 1.00 0.00 H new ATOM 0 HG LEU A 63 3.187 7.895 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.836 6.050 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.353 5.465 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.197 5.576 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.730 8.282 5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.088 7.896 7.021 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.167 9.330 5.970 1.00 0.00 H new ATOM 1039 N THR A 64 5.612 4.323 5.808 1.00 0.00 N ATOM 1040 CA THR A 64 6.228 3.074 5.382 1.00 0.00 C ATOM 1041 C THR A 64 5.414 2.404 4.279 1.00 0.00 C ATOM 1042 O THR A 64 4.264 2.765 4.033 1.00 0.00 O ATOM 1043 CB THR A 64 6.375 2.124 6.571 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.486 2.851 7.782 1.00 0.00 O ATOM 1045 CG2 THR A 64 7.581 1.216 6.467 1.00 0.00 C ATOM 0 H THR A 64 4.638 4.236 6.099 1.00 0.00 H new ATOM 0 HA THR A 64 7.215 3.307 4.983 1.00 0.00 H new ATOM 0 HB THR A 64 5.476 1.508 6.561 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.578 2.226 8.531 1.00 0.00 H new ATOM 0 HG21 THR A 64 7.625 0.568 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.500 0.605 5.568 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.487 1.819 6.416 1.00 0.00 H new ATOM 1053 N MET A 65 6.018 1.419 3.624 1.00 0.00 N ATOM 1054 CA MET A 65 5.352 0.690 2.554 1.00 0.00 C ATOM 1055 C MET A 65 4.940 -0.700 3.027 1.00 0.00 C ATOM 1056 O MET A 65 5.564 -1.266 3.924 1.00 0.00 O ATOM 1057 CB MET A 65 6.269 0.581 1.333 1.00 0.00 C ATOM 1058 CG MET A 65 6.867 1.911 0.903 1.00 0.00 C ATOM 1059 SD MET A 65 5.682 2.959 0.038 1.00 0.00 S ATOM 1060 CE MET A 65 6.755 4.263 -0.559 1.00 0.00 C ATOM 0 H MET A 65 6.970 1.107 3.817 1.00 0.00 H new ATOM 0 HA MET A 65 4.454 1.240 2.271 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.077 -0.116 1.556 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.705 0.159 0.501 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.239 2.438 1.781 1.00 0.00 H new ATOM 0 HG3 MET A 65 7.724 1.727 0.255 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.607 5.160 0.043 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.794 3.942 -0.483 1.00 0.00 H new ATOM 0 HE3 MET A 65 6.518 4.481 -1.600 1.00 0.00 H new ATOM 1070 N PRO A 66 3.874 -1.270 2.438 1.00 0.00 N ATOM 1071 CA PRO A 66 3.096 -0.641 1.368 1.00 0.00 C ATOM 1072 C PRO A 66 2.082 0.374 1.889 1.00 0.00 C ATOM 1073 O PRO A 66 1.485 0.187 2.950 1.00 0.00 O ATOM 1074 CB PRO A 66 2.369 -1.825 0.706 1.00 0.00 C ATOM 1075 CG PRO A 66 2.840 -3.051 1.422 1.00 0.00 C ATOM 1076 CD PRO A 66 3.342 -2.591 2.758 1.00 0.00 C ATOM 0 HA PRO A 66 3.736 -0.077 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.288 -1.715 0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.602 -1.881 -0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.029 -3.770 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.630 -3.550 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.545 -2.542 3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.109 -3.255 3.157 1.00 0.00 H new ATOM 1084 N GLN A 67 1.880 1.441 1.120 1.00 0.00 N ATOM 1085 CA GLN A 67 0.930 2.486 1.485 1.00 0.00 C ATOM 1086 C GLN A 67 -0.390 2.295 0.745 1.00 0.00 C ATOM 1087 O GLN A 67 -0.428 2.311 -0.483 1.00 0.00 O ATOM 1088 CB GLN A 67 1.512 3.863 1.159 1.00 0.00 C ATOM 1089 CG GLN A 67 2.232 4.515 2.328 1.00 0.00 C ATOM 1090 CD GLN A 67 3.366 5.417 1.884 1.00 0.00 C ATOM 1091 OE1 GLN A 67 3.141 6.462 1.274 1.00 0.00 O ATOM 1092 NE2 GLN A 67 4.595 5.017 2.190 1.00 0.00 N ATOM 0 H GLN A 67 2.364 1.604 0.237 1.00 0.00 H new ATOM 0 HA GLN A 67 0.742 2.420 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.207 3.766 0.325 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.707 4.519 0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.518 5.096 2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.625 3.740 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.736 4.143 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.398 5.584 1.918 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.471 2.109 1.494 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.783 1.909 0.891 1.00 0.00 C ATOM 1103 C VAL A 68 -3.583 3.208 0.853 1.00 0.00 C ATOM 1104 O VAL A 68 -3.262 4.165 1.556 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.597 0.835 1.641 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.781 0.377 0.805 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.712 -0.346 2.013 1.00 0.00 C ATOM 0 H VAL A 68 -1.465 2.093 2.514 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.606 1.569 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.981 1.277 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.342 -0.381 1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.429 1.228 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.422 -0.045 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.305 -1.093 2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.295 -0.788 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.901 -0.005 2.657 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.625 3.240 0.025 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.454 4.433 -0.103 1.00 0.00 C ATOM 1119 C PHE A 69 -6.926 4.074 -0.271 1.00 0.00 C ATOM 1120 O PHE A 69 -7.272 3.086 -0.917 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.979 5.265 -1.287 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.645 5.898 -1.051 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.556 7.118 -0.411 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.481 5.268 -1.459 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.327 7.706 -0.183 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.249 5.849 -1.236 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.171 7.071 -0.597 1.00 0.00 C ATOM 0 H PHE A 69 -4.913 2.458 -0.563 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.356 5.014 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.924 4.631 -2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.713 6.043 -1.497 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.456 7.618 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.538 4.311 -1.957 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.269 8.661 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.348 5.349 -1.560 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.209 7.529 -0.421 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.784 4.885 0.340 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.228 4.666 0.296 1.00 0.00 C ATOM 1139 C ALA A 70 -9.754 4.558 -1.135 1.00 0.00 C ATOM 1140 O ALA A 70 -9.362 5.330 -2.011 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.948 5.783 1.035 1.00 0.00 C ATOM 0 H ALA A 70 -7.503 5.706 0.876 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.428 3.714 0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.024 5.611 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.621 5.802 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.717 6.739 0.565 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.673 3.600 -1.383 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.281 3.394 -2.705 1.00 0.00 C ATOM 1149 C PRO A 71 -11.741 4.704 -3.332 1.00 0.00 C ATOM 1150 O PRO A 71 -11.784 4.843 -4.555 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.478 2.494 -2.394 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.059 1.723 -1.194 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.211 2.661 -0.379 1.00 0.00 C ATOM 0 HA PRO A 71 -10.583 2.966 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.375 3.080 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.707 1.834 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.925 1.384 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.496 0.834 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.799 3.178 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.414 2.131 0.143 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.077 5.663 -2.480 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.529 6.971 -2.930 1.00 0.00 C ATOM 1163 C ASP A 72 -12.481 7.965 -1.777 1.00 0.00 C ATOM 1164 O ASP A 72 -13.353 8.825 -1.645 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.946 6.878 -3.495 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.010 7.263 -4.961 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -13.896 8.469 -5.265 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -14.175 6.357 -5.805 1.00 0.00 O ATOM 0 H ASP A 72 -12.044 5.557 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.865 7.320 -3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.317 5.860 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.606 7.529 -2.922 1.00 0.00 H new ATOM 1173 N GLY A 73 -11.459 7.832 -0.935 1.00 0.00 N ATOM 1174 CA GLY A 73 -11.316 8.721 0.207 1.00 0.00 C ATOM 1175 C GLY A 73 -9.904 9.243 0.376 1.00 0.00 C ATOM 1176 O GLY A 73 -9.438 10.061 -0.415 1.00 0.00 O ATOM 0 H GLY A 73 -10.728 7.126 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.998 9.564 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.613 8.192 1.112 1.00 0.00 H new ATOM 1180 N SER A 74 -9.226 8.776 1.422 1.00 0.00 N ATOM 1181 CA SER A 74 -7.860 9.207 1.705 1.00 0.00 C ATOM 1182 C SER A 74 -6.970 8.024 2.071 1.00 0.00 C ATOM 1183 O SER A 74 -7.407 6.874 2.066 1.00 0.00 O ATOM 1184 CB SER A 74 -7.855 10.231 2.841 1.00 0.00 C ATOM 1185 OG SER A 74 -8.850 9.930 3.804 1.00 0.00 O ATOM 0 H SER A 74 -9.600 8.099 2.087 1.00 0.00 H new ATOM 0 HA SER A 74 -7.461 9.667 0.801 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.875 10.244 3.318 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.026 11.228 2.436 1.00 0.00 H new ATOM 0 HG SER A 74 -8.825 10.598 4.520 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.717 8.326 2.384 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.740 7.309 2.754 1.00 0.00 C ATOM 1193 C HIS A 75 -5.187 6.547 3.998 1.00 0.00 C ATOM 1194 O HIS A 75 -5.425 7.142 5.049 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.387 7.975 3.000 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.296 7.022 3.376 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.673 6.072 2.635 1.00 0.00 N flip ATOM 1198 CD2 HIS A 75 -1.707 6.981 4.620 1.00 0.00 C flip ATOM 1199 CE1 HIS A 75 -0.703 5.448 3.414 1.00 0.00 C flip ATOM 1200 NE2 HIS A 75 -0.763 6.031 4.595 1.00 0.00 N flip ATOM 0 H HIS A 75 -5.350 9.278 2.389 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.652 6.592 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.090 8.513 2.100 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.497 8.715 3.792 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.882 5.850 1.662 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.961 7.604 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.039 4.651 3.113 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.298 5.227 3.873 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.716 4.387 4.991 1.00 0.00 C ATOM 1210 C ILE A 76 -4.533 4.016 5.871 1.00 0.00 C ATOM 1211 O ILE A 76 -4.612 4.079 7.099 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.384 3.084 4.512 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.413 3.368 3.417 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -7.026 2.357 5.684 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.223 2.508 2.188 1.00 0.00 C ATOM 0 H ILE A 76 -5.105 4.717 3.011 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.437 4.974 5.560 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.614 2.440 4.087 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.414 3.205 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.351 4.418 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.494 1.438 5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.263 2.114 6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.782 2.997 6.139 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.984 2.757 1.448 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.234 2.689 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.314 1.457 2.462 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.438 3.612 5.237 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.256 3.222 5.978 1.00 0.00 C ATOM 1229 C GLY A 77 -1.713 1.883 5.533 1.00 0.00 C ATOM 1230 O GLY A 77 -1.813 1.518 4.361 1.00 0.00 O ATOM 0 H GLY A 77 -3.349 3.548 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.485 3.983 5.854 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.494 3.179 7.041 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.129 1.157 6.472 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.562 -0.144 6.167 1.00 0.00 C ATOM 1236 C GLY A 78 -1.549 -1.280 6.364 1.00 0.00 C ATOM 1237 O GLY A 78 -2.757 -1.102 6.193 1.00 0.00 O ATOM 0 H GLY A 78 -1.036 1.445 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.212 -0.149 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.309 -0.312 6.800 1.00 0.00 H new ATOM 1241 N PHE A 79 -1.030 -2.452 6.717 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.859 -3.633 6.934 1.00 0.00 C ATOM 1243 C PHE A 79 -2.667 -3.505 8.222 1.00 0.00 C ATOM 1244 O PHE A 79 -3.885 -3.334 8.188 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.975 -4.878 6.996 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.714 -6.151 7.302 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.888 -6.474 6.636 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.228 -7.029 8.257 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.560 -7.649 6.920 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.896 -8.203 8.545 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.063 -8.514 7.875 1.00 0.00 C ATOM 0 H PHE A 79 -0.032 -2.610 6.860 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.557 -3.722 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.461 -4.991 6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.208 -4.726 7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.281 -5.801 5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.315 -6.792 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.473 -7.890 6.395 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.506 -8.877 9.293 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.586 -9.432 8.098 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.979 -3.584 9.359 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.634 -3.472 10.657 1.00 0.00 C ATOM 1263 C ASP A 80 -3.416 -2.168 10.751 1.00 0.00 C ATOM 1264 O ASP A 80 -4.588 -2.157 11.133 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.600 -3.546 11.783 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.243 -3.620 13.155 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.423 -3.228 13.280 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.566 -4.068 14.103 1.00 0.00 O ATOM 0 H ASP A 80 -0.970 -3.725 9.406 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.330 -4.304 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.967 -4.420 11.634 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.952 -2.671 11.735 1.00 0.00 H new ATOM 1273 N GLN A 81 -2.759 -1.069 10.391 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.396 0.240 10.421 1.00 0.00 C ATOM 1275 C GLN A 81 -4.694 0.208 9.626 1.00 0.00 C ATOM 1276 O GLN A 81 -5.673 0.861 9.987 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.456 1.306 9.854 1.00 0.00 C ATOM 1278 CG GLN A 81 -1.034 1.206 10.379 1.00 0.00 C ATOM 1279 CD GLN A 81 -0.389 2.564 10.578 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.398 3.406 9.681 1.00 0.00 O ATOM 1281 NE2 GLN A 81 0.178 2.781 11.759 1.00 0.00 N ATOM 0 H GLN A 81 -1.789 -1.061 10.076 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.622 0.493 11.457 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.440 1.223 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.854 2.293 10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.038 0.667 11.327 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.434 0.621 9.682 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.162 2.054 12.474 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.630 3.675 11.951 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.695 -0.568 8.546 1.00 0.00 N ATOM 1291 CA LEU A 82 -5.875 -0.700 7.709 1.00 0.00 C ATOM 1292 C LEU A 82 -6.833 -1.738 8.275 1.00 0.00 C ATOM 1293 O LEU A 82 -8.045 -1.618 8.116 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.497 -1.072 6.288 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.700 -1.256 5.378 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.436 -0.684 4.005 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -7.070 -2.719 5.304 1.00 0.00 C ATOM 0 H LEU A 82 -3.891 -1.113 8.233 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.375 0.268 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.852 -0.296 5.875 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.916 -1.994 6.303 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.544 -0.708 5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.314 -0.830 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.223 0.382 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.581 -1.191 3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.933 -2.843 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.229 -3.287 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.315 -3.083 6.302 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.294 -2.750 8.951 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.134 -3.784 9.552 1.00 0.00 C ATOM 1311 C ARG A 83 -8.224 -3.123 10.381 1.00 0.00 C ATOM 1312 O ARG A 83 -9.349 -3.615 10.456 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.295 -4.718 10.427 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.883 -6.113 10.568 1.00 0.00 C ATOM 1315 CD ARG A 83 -5.802 -7.151 10.817 1.00 0.00 C ATOM 1316 NE ARG A 83 -5.577 -7.377 12.243 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.355 -8.143 13.004 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -7.408 -8.759 12.481 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.078 -8.296 14.292 1.00 0.00 N ATOM 0 H ARG A 83 -5.292 -2.876 9.096 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.589 -4.380 8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.294 -4.796 10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.189 -4.276 11.418 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.598 -6.126 11.391 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.434 -6.370 9.663 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.085 -8.090 10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.872 -6.825 10.351 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.777 -6.921 12.681 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.625 -8.647 11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.000 -9.345 13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.269 -7.827 14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.674 -8.883 14.876 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.886 -1.980 10.975 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.845 -1.224 11.764 1.00 0.00 C ATOM 1335 C GLU A 84 -9.941 -0.698 10.849 1.00 0.00 C ATOM 1336 O GLU A 84 -11.111 -0.637 11.227 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.156 -0.067 12.489 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.359 -0.502 13.710 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.137 0.364 13.946 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.202 1.576 13.649 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -5.116 -0.169 14.428 1.00 0.00 O ATOM 0 H GLU A 84 -6.957 -1.562 10.923 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.283 -1.879 12.517 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.489 0.442 11.793 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.909 0.658 12.797 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.001 -0.466 14.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.047 -1.539 13.585 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.550 -0.348 9.625 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.487 0.138 8.627 1.00 0.00 C ATOM 1350 C TYR A 85 -11.491 -0.962 8.305 1.00 0.00 C ATOM 1351 O TYR A 85 -12.667 -0.702 8.056 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.723 0.548 7.366 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.539 1.326 6.361 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.609 0.740 5.701 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.224 2.645 6.063 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.345 1.447 4.771 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.956 3.359 5.136 1.00 0.00 C ATOM 1358 CZ TYR A 85 -12.015 2.756 4.492 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.746 3.465 3.566 1.00 0.00 O ATOM 0 H TYR A 85 -8.583 -0.394 9.304 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.022 1.007 9.011 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.862 1.149 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.336 -0.350 6.883 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.870 -0.285 5.918 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.393 3.120 6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.175 0.977 4.265 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.700 4.385 4.916 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.383 4.372 3.488 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.001 -2.200 8.331 1.00 0.00 N ATOM 1370 CA PHE A 86 -11.823 -3.376 8.056 1.00 0.00 C ATOM 1371 C PHE A 86 -12.414 -3.963 9.337 1.00 0.00 C ATOM 1372 O PHE A 86 -13.326 -4.788 9.285 1.00 0.00 O ATOM 1373 CB PHE A 86 -10.983 -4.432 7.328 1.00 0.00 C ATOM 1374 CG PHE A 86 -10.878 -4.192 5.847 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -11.999 -3.843 5.108 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.661 -4.295 5.198 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -11.903 -3.599 3.753 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.562 -4.058 3.839 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.683 -3.707 3.118 1.00 0.00 C ATOM 0 H PHE A 86 -10.027 -2.415 8.542 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.655 -3.068 7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -9.982 -4.449 7.758 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.420 -5.416 7.499 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -12.958 -3.761 5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -8.778 -4.564 5.759 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.783 -3.324 3.190 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.607 -4.148 3.343 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.606 -3.517 2.058 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.897 -3.533 10.486 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.381 -4.020 11.775 1.00 0.00 C ATOM 1391 C LYS A 87 -13.224 -2.960 12.476 1.00 0.00 C ATOM 1392 O LYS A 87 -13.653 -3.209 13.622 1.00 0.00 O ATOM 1393 CB LYS A 87 -11.203 -4.421 12.665 1.00 0.00 C ATOM 1394 CG LYS A 87 -10.755 -5.860 12.468 1.00 0.00 C ATOM 1395 CD LYS A 87 -10.237 -6.465 13.762 1.00 0.00 C ATOM 1396 CE LYS A 87 -8.871 -5.907 14.130 1.00 0.00 C ATOM 1397 NZ LYS A 87 -8.974 -4.786 15.106 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.448 -1.889 11.872 1.00 0.00 O ATOM 0 H LYS A 87 -11.143 -2.849 10.550 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.007 -4.894 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.363 -3.757 12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -11.481 -4.275 13.709 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.590 -6.454 12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.974 -5.898 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.943 -6.263 14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.173 -7.548 13.659 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.256 -6.701 14.553 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.366 -5.559 13.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.460 -3.959 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.974 -4.538 15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.560 -5.077 16.014 1.00 0.00 H new