USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 SER OG : rot -119:sc= 0.0441 USER MOD Set 1.2: A 99 THR OG1 : rot 87:sc= 0.494 USER MOD Set 2.1: A 65 ASN : amide:sc= -1.24 K(o=-6,f=-8.1!) USER MOD Set 2.2: A 88 MET CE :methyl -112:sc= -4.75! (180deg=-3.73!) USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -167:sc= -0.888 (180deg=-1.83!) USER MOD Single : A 29 MET CE :methyl -163:sc= -1.57 (180deg=-2.08!) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -120:sc= -0.297 USER MOD Single : A 32 HIS : no HD1:sc= -0.0543 X(o=-0.054,f=0) USER MOD Single : A 39 TYR OH : rot -21:sc= 0.214 USER MOD Single : A 41 GLN : amide:sc= -0.126 K(o=-0.13,f=-2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 47 SER OG : rot 125:sc= 0.765 USER MOD Single : A 56 SER OG : rot 67:sc= 0.787 USER MOD Single : A 67 SER OG : rot 130:sc= -0.175 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.0044) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.875 4.724 -14.291 1.00 0.00 N ATOM 60 CA GLY A 7 8.637 3.724 -13.264 1.00 0.00 C ATOM 61 C GLY A 7 7.554 2.735 -13.702 1.00 0.00 C ATOM 62 O GLY A 7 6.985 2.871 -14.784 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.562 3.187 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.335 4.213 -12.338 1.00 0.00 H new ATOM 66 N TYR A 8 7.303 1.762 -12.839 1.00 0.00 N ATOM 67 CA TYR A 8 6.299 0.751 -13.123 1.00 0.00 C ATOM 68 C TYR A 8 5.406 0.507 -11.905 1.00 0.00 C ATOM 69 O TYR A 8 5.721 0.950 -10.801 1.00 0.00 O ATOM 70 CB TYR A 8 7.070 -0.532 -13.439 1.00 0.00 C ATOM 71 CG TYR A 8 8.055 -0.952 -12.346 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.602 -1.633 -11.234 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.395 -0.649 -12.471 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.529 -2.028 -10.205 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.322 -1.044 -11.442 1.00 0.00 C ATOM 76 CZ TYR A 8 9.843 -1.714 -10.360 1.00 0.00 C ATOM 77 OH TYR A 8 10.718 -2.087 -9.388 1.00 0.00 O ATOM 0 H TYR A 8 7.777 1.652 -11.943 1.00 0.00 H new ATOM 0 HA TYR A 8 5.658 1.068 -13.946 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.358 -1.341 -13.602 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.616 -0.395 -14.372 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.553 -1.870 -11.136 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.749 -0.115 -13.341 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.188 -2.562 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.374 -0.813 -11.528 1.00 0.00 H new ATOM 0 HH TYR A 8 11.622 -1.797 -9.633 1.00 0.00 H new ATOM 87 N VAL A 9 4.309 -0.195 -12.146 1.00 0.00 N ATOM 88 CA VAL A 9 3.367 -0.503 -11.083 1.00 0.00 C ATOM 89 C VAL A 9 3.273 -2.020 -10.914 1.00 0.00 C ATOM 90 O VAL A 9 3.698 -2.773 -11.789 1.00 0.00 O ATOM 91 CB VAL A 9 2.016 0.152 -11.375 1.00 0.00 C ATOM 92 CG1 VAL A 9 1.851 0.425 -12.871 1.00 0.00 C ATOM 93 CG2 VAL A 9 0.865 -0.705 -10.843 1.00 0.00 C ATOM 0 H VAL A 9 4.051 -0.560 -13.063 1.00 0.00 H new ATOM 0 HA VAL A 9 3.713 -0.092 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 9 1.988 1.110 -10.855 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.882 0.891 -13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.643 1.093 -13.208 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.910 -0.514 -13.421 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.084 -0.217 -11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.889 -1.684 -11.321 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.969 -0.825 -9.765 1.00 0.00 H new ATOM 103 N PHE A 10 2.713 -2.424 -9.784 1.00 0.00 N ATOM 104 CA PHE A 10 2.557 -3.839 -9.489 1.00 0.00 C ATOM 105 C PHE A 10 1.297 -4.090 -8.658 1.00 0.00 C ATOM 106 O PHE A 10 0.907 -3.252 -7.847 1.00 0.00 O ATOM 107 CB PHE A 10 3.782 -4.264 -8.678 1.00 0.00 C ATOM 108 CG PHE A 10 3.794 -3.732 -7.244 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.230 -2.468 -6.991 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.369 -4.521 -6.221 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.242 -1.974 -5.661 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.381 -4.026 -4.890 1.00 0.00 C ATOM 113 CZ PHE A 10 3.817 -2.763 -4.638 1.00 0.00 C ATOM 0 H PHE A 10 2.361 -1.796 -9.061 1.00 0.00 H new ATOM 0 HA PHE A 10 2.467 -4.405 -10.416 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.827 -5.353 -8.651 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.681 -3.920 -9.190 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.567 -1.841 -7.803 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.022 -5.524 -6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.589 -0.971 -5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.044 -4.653 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.826 -2.386 -3.626 1.00 0.00 H new ATOM 123 N THR A 11 0.695 -5.248 -8.890 1.00 0.00 N ATOM 124 CA THR A 11 -0.512 -5.620 -8.172 1.00 0.00 C ATOM 125 C THR A 11 -0.158 -6.326 -6.862 1.00 0.00 C ATOM 126 O THR A 11 0.916 -6.912 -6.739 1.00 0.00 O ATOM 127 CB THR A 11 -1.374 -6.471 -9.108 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.698 -5.589 -10.179 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.730 -6.824 -8.494 1.00 0.00 C ATOM 0 H THR A 11 1.021 -5.940 -9.565 1.00 0.00 H new ATOM 0 HA THR A 11 -1.088 -4.741 -7.884 1.00 0.00 H new ATOM 0 HB THR A 11 -0.840 -7.387 -9.361 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.255 -6.060 -10.834 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.302 -7.428 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.577 -7.387 -7.573 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.278 -5.908 -8.272 1.00 0.00 H new ATOM 137 N VAL A 12 -1.082 -6.247 -5.916 1.00 0.00 N ATOM 138 CA VAL A 12 -0.881 -6.872 -4.620 1.00 0.00 C ATOM 139 C VAL A 12 -2.147 -7.635 -4.224 1.00 0.00 C ATOM 140 O VAL A 12 -3.198 -7.033 -4.012 1.00 0.00 O ATOM 141 CB VAL A 12 -0.472 -5.818 -3.589 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.576 -6.374 -2.622 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.035 -4.548 -4.275 1.00 0.00 C ATOM 0 H VAL A 12 -1.972 -5.760 -6.021 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.067 -7.595 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.357 -5.556 -3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.849 -5.605 -1.900 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.165 -7.236 -2.096 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.461 -6.678 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.319 -3.815 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.901 -4.788 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.754 -4.134 -4.903 1.00 0.00 H new ATOM 153 N GLU A 13 -2.004 -8.949 -4.137 1.00 0.00 N ATOM 154 CA GLU A 13 -3.123 -9.801 -3.771 1.00 0.00 C ATOM 155 C GLU A 13 -2.918 -10.372 -2.366 1.00 0.00 C ATOM 156 O GLU A 13 -2.114 -11.283 -2.174 1.00 0.00 O ATOM 157 CB GLU A 13 -3.318 -10.921 -4.795 1.00 0.00 C ATOM 158 CG GLU A 13 -4.273 -10.485 -5.908 1.00 0.00 C ATOM 159 CD GLU A 13 -4.657 -11.670 -6.796 1.00 0.00 C ATOM 160 OE1 GLU A 13 -3.876 -11.958 -7.728 1.00 0.00 O ATOM 161 OE2 GLU A 13 -5.724 -12.262 -6.523 1.00 0.00 O ATOM 0 H GLU A 13 -1.130 -9.445 -4.314 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.029 -9.195 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.355 -11.198 -5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.712 -11.808 -4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.171 -10.047 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.802 -9.710 -6.513 1.00 0.00 H new ATOM 168 N LEU A 14 -3.659 -9.813 -1.421 1.00 0.00 N ATOM 169 CA LEU A 14 -3.568 -10.256 -0.040 1.00 0.00 C ATOM 170 C LEU A 14 -4.908 -10.860 0.387 1.00 0.00 C ATOM 171 O LEU A 14 -5.897 -10.758 -0.337 1.00 0.00 O ATOM 172 CB LEU A 14 -3.095 -9.112 0.859 1.00 0.00 C ATOM 173 CG LEU A 14 -1.868 -8.339 0.372 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.076 -6.831 0.519 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.600 -8.815 1.085 1.00 0.00 C ATOM 0 H LEU A 14 -4.325 -9.058 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.818 -11.041 0.060 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.918 -8.408 0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.875 -9.519 1.846 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.736 -8.544 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.189 -6.305 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.939 -6.524 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.248 -6.588 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.257 -8.249 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.706 -8.660 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.446 -9.875 0.885 1.00 0.00 H new ATOM 187 N GLU A 15 -4.896 -11.474 1.561 1.00 0.00 N ATOM 188 CA GLU A 15 -6.098 -12.094 2.092 1.00 0.00 C ATOM 189 C GLU A 15 -6.486 -11.445 3.423 1.00 0.00 C ATOM 190 O GLU A 15 -5.744 -11.533 4.400 1.00 0.00 O ATOM 191 CB GLU A 15 -5.911 -13.604 2.253 1.00 0.00 C ATOM 192 CG GLU A 15 -7.025 -14.206 3.112 1.00 0.00 C ATOM 193 CD GLU A 15 -7.177 -15.704 2.841 1.00 0.00 C ATOM 194 OE1 GLU A 15 -6.164 -16.417 3.007 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.303 -16.103 2.473 1.00 0.00 O ATOM 0 H GLU A 15 -4.074 -11.555 2.159 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.909 -11.935 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.906 -14.080 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.943 -13.807 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.803 -14.044 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.966 -13.697 2.902 1.00 0.00 H new ATOM 202 N ARG A 16 -7.648 -10.808 3.417 1.00 0.00 N ATOM 203 CA ARG A 16 -8.143 -10.144 4.611 1.00 0.00 C ATOM 204 C ARG A 16 -7.800 -10.966 5.855 1.00 0.00 C ATOM 205 O ARG A 16 -8.172 -12.134 5.954 1.00 0.00 O ATOM 206 CB ARG A 16 -9.658 -9.944 4.542 1.00 0.00 C ATOM 207 CG ARG A 16 -10.147 -9.053 5.686 1.00 0.00 C ATOM 208 CD ARG A 16 -11.624 -9.312 5.990 1.00 0.00 C ATOM 209 NE ARG A 16 -12.385 -8.045 5.919 1.00 0.00 N ATOM 210 CZ ARG A 16 -13.640 -7.897 6.363 1.00 0.00 C ATOM 211 NH1 ARG A 16 -14.283 -8.935 6.914 1.00 0.00 N ATOM 212 NH2 ARG A 16 -14.252 -6.710 6.257 1.00 0.00 N ATOM 0 H ARG A 16 -8.261 -10.738 2.605 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.662 -9.168 4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.926 -9.494 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.159 -10.911 4.590 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.550 -9.241 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.005 -8.005 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.030 -10.030 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.728 -9.753 6.981 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.925 -7.234 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.817 -9.839 6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.239 -8.822 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.762 -5.919 5.838 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.208 -6.597 6.595 1.00 0.00 H new ATOM 226 N GLY A 17 -7.096 -10.322 6.775 1.00 0.00 N ATOM 227 CA GLY A 17 -6.699 -10.979 8.009 1.00 0.00 C ATOM 228 C GLY A 17 -7.599 -10.552 9.171 1.00 0.00 C ATOM 229 O GLY A 17 -8.570 -9.824 8.973 1.00 0.00 O ATOM 0 H GLY A 17 -6.791 -9.353 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.751 -12.060 7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.662 -10.734 8.238 1.00 0.00 H new ATOM 233 N PRO A 18 -7.233 -11.035 10.388 1.00 0.00 N ATOM 234 CA PRO A 18 -7.996 -10.712 11.582 1.00 0.00 C ATOM 235 C PRO A 18 -7.725 -9.275 12.033 1.00 0.00 C ATOM 236 O PRO A 18 -8.285 -8.817 13.027 1.00 0.00 O ATOM 237 CB PRO A 18 -7.573 -11.747 12.611 1.00 0.00 C ATOM 238 CG PRO A 18 -6.258 -12.320 12.111 1.00 0.00 C ATOM 239 CD PRO A 18 -6.089 -11.900 10.660 1.00 0.00 C ATOM 0 HA PRO A 18 -9.073 -10.751 11.417 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.452 -11.293 13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.326 -12.528 12.711 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.428 -11.953 12.714 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.258 -13.407 12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.148 -11.371 10.508 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.080 -12.764 9.996 1.00 0.00 H new ATOM 247 N SER A 19 -6.866 -8.604 11.279 1.00 0.00 N ATOM 248 CA SER A 19 -6.514 -7.229 11.588 1.00 0.00 C ATOM 249 C SER A 19 -7.139 -6.284 10.560 1.00 0.00 C ATOM 250 O SER A 19 -7.242 -5.082 10.798 1.00 0.00 O ATOM 251 CB SER A 19 -4.996 -7.044 11.625 1.00 0.00 C ATOM 252 OG SER A 19 -4.412 -7.164 10.331 1.00 0.00 O ATOM 0 H SER A 19 -6.404 -8.988 10.455 1.00 0.00 H new ATOM 0 HA SER A 19 -6.906 -6.990 12.577 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.760 -6.064 12.040 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.556 -7.786 12.291 1.00 0.00 H new ATOM 0 HG SER A 19 -3.442 -7.038 10.397 1.00 0.00 H new ATOM 258 N GLY A 20 -7.541 -6.864 9.438 1.00 0.00 N ATOM 259 CA GLY A 20 -8.153 -6.089 8.373 1.00 0.00 C ATOM 260 C GLY A 20 -7.092 -5.523 7.427 1.00 0.00 C ATOM 261 O GLY A 20 -7.125 -4.341 7.088 1.00 0.00 O ATOM 0 H GLY A 20 -7.455 -7.862 9.244 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.846 -6.717 7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.736 -5.273 8.801 1.00 0.00 H new ATOM 265 N LEU A 21 -6.175 -6.392 7.029 1.00 0.00 N ATOM 266 CA LEU A 21 -5.106 -5.994 6.129 1.00 0.00 C ATOM 267 C LEU A 21 -4.006 -5.294 6.930 1.00 0.00 C ATOM 268 O LEU A 21 -2.838 -5.669 6.846 1.00 0.00 O ATOM 269 CB LEU A 21 -5.660 -5.150 4.979 1.00 0.00 C ATOM 270 CG LEU A 21 -6.968 -5.643 4.355 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.800 -4.472 3.829 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.698 -6.688 3.271 1.00 0.00 C ATOM 0 H LEU A 21 -6.150 -7.371 7.314 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.655 -6.870 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.814 -4.134 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.904 -5.098 4.196 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.556 -6.131 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.724 -4.850 3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.038 -3.797 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.232 -3.934 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.644 -7.022 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.081 -6.248 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.177 -7.540 3.708 1.00 0.00 H new ATOM 284 N GLY A 22 -4.419 -4.289 7.689 1.00 0.00 N ATOM 285 CA GLY A 22 -3.483 -3.534 8.505 1.00 0.00 C ATOM 286 C GLY A 22 -2.608 -2.628 7.637 1.00 0.00 C ATOM 287 O GLY A 22 -1.382 -2.665 7.734 1.00 0.00 O ATOM 0 H GLY A 22 -5.389 -3.980 7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.030 -2.931 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.853 -4.220 9.072 1.00 0.00 H new ATOM 291 N MET A 23 -3.271 -1.835 6.808 1.00 0.00 N ATOM 292 CA MET A 23 -2.568 -0.920 5.924 1.00 0.00 C ATOM 293 C MET A 23 -2.888 0.535 6.274 1.00 0.00 C ATOM 294 O MET A 23 -3.952 1.042 5.922 1.00 0.00 O ATOM 295 CB MET A 23 -2.974 -1.198 4.475 1.00 0.00 C ATOM 296 CG MET A 23 -1.741 -1.378 3.587 1.00 0.00 C ATOM 297 SD MET A 23 -2.232 -1.463 1.872 1.00 0.00 S ATOM 298 CE MET A 23 -3.807 -2.287 2.041 1.00 0.00 C ATOM 0 H MET A 23 -4.288 -1.807 6.730 1.00 0.00 H new ATOM 0 HA MET A 23 -1.496 -1.076 6.047 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.592 -2.095 4.432 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.581 -0.374 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.051 -0.547 3.736 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.210 -2.288 3.868 1.00 0.00 H new ATOM 0 HE1 MET A 23 -4.147 -2.627 1.063 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.700 -3.144 2.706 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.537 -1.594 2.458 1.00 0.00 H new ATOM 308 N GLY A 24 -1.948 1.165 6.962 1.00 0.00 N ATOM 309 CA GLY A 24 -2.116 2.551 7.363 1.00 0.00 C ATOM 310 C GLY A 24 -2.121 3.478 6.145 1.00 0.00 C ATOM 311 O GLY A 24 -1.188 4.255 5.948 1.00 0.00 O ATOM 0 H GLY A 24 -1.067 0.741 7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.050 2.663 7.914 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.311 2.838 8.039 1.00 0.00 H new ATOM 315 N LEU A 25 -3.182 3.364 5.359 1.00 0.00 N ATOM 316 CA LEU A 25 -3.320 4.181 4.166 1.00 0.00 C ATOM 317 C LEU A 25 -3.733 5.598 4.569 1.00 0.00 C ATOM 318 O LEU A 25 -4.643 5.778 5.377 1.00 0.00 O ATOM 319 CB LEU A 25 -4.278 3.521 3.173 1.00 0.00 C ATOM 320 CG LEU A 25 -4.035 2.037 2.891 1.00 0.00 C ATOM 321 CD1 LEU A 25 -4.951 1.533 1.774 1.00 0.00 C ATOM 322 CD2 LEU A 25 -2.560 1.771 2.587 1.00 0.00 C ATOM 0 H LEU A 25 -3.954 2.718 5.525 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.365 4.262 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.295 3.637 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.222 4.064 2.229 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.285 1.474 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.757 0.476 1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.992 1.666 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.757 2.098 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.415 0.709 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.259 2.347 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.953 2.068 3.442 1.00 0.00 H new ATOM 334 N ILE A 26 -3.043 6.569 3.988 1.00 0.00 N ATOM 335 CA ILE A 26 -3.326 7.964 4.276 1.00 0.00 C ATOM 336 C ILE A 26 -3.524 8.722 2.962 1.00 0.00 C ATOM 337 O ILE A 26 -3.085 8.267 1.907 1.00 0.00 O ATOM 338 CB ILE A 26 -2.236 8.559 5.170 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.665 9.916 5.730 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.901 8.641 4.427 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.160 10.104 7.162 1.00 0.00 C ATOM 0 H ILE A 26 -2.288 6.416 3.319 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.254 8.055 4.840 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.091 7.892 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.277 10.714 5.096 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.752 9.994 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.144 9.067 5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.594 7.641 4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.013 9.273 3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.479 11.077 7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.569 9.319 7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.071 10.050 7.174 1.00 0.00 H new ATOM 353 N ASP A 27 -4.185 9.866 3.069 1.00 0.00 N ATOM 354 CA ASP A 27 -4.446 10.691 1.902 1.00 0.00 C ATOM 355 C ASP A 27 -3.159 11.411 1.493 1.00 0.00 C ATOM 356 O ASP A 27 -2.482 12.004 2.332 1.00 0.00 O ATOM 357 CB ASP A 27 -5.506 11.752 2.204 1.00 0.00 C ATOM 358 CG ASP A 27 -6.621 11.868 1.163 1.00 0.00 C ATOM 359 OD1 ASP A 27 -6.311 11.642 -0.027 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.757 12.178 1.580 1.00 0.00 O ATOM 0 H ASP A 27 -4.547 10.240 3.946 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.803 10.041 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.955 11.530 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.013 12.720 2.296 1.00 0.00 H new ATOM 365 N GLY A 28 -2.861 11.336 0.205 1.00 0.00 N ATOM 366 CA GLY A 28 -1.667 11.974 -0.325 1.00 0.00 C ATOM 367 C GLY A 28 -1.690 13.481 -0.067 1.00 0.00 C ATOM 368 O GLY A 28 -0.662 14.149 -0.174 1.00 0.00 O ATOM 0 H GLY A 28 -3.425 10.844 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.782 11.536 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.595 11.786 -1.396 1.00 0.00 H new ATOM 372 N MET A 29 -2.873 13.974 0.269 1.00 0.00 N ATOM 373 CA MET A 29 -3.043 15.391 0.544 1.00 0.00 C ATOM 374 C MET A 29 -2.574 15.735 1.959 1.00 0.00 C ATOM 375 O MET A 29 -1.933 16.763 2.171 1.00 0.00 O ATOM 376 CB MET A 29 -4.518 15.768 0.389 1.00 0.00 C ATOM 377 CG MET A 29 -4.977 15.600 -1.061 1.00 0.00 C ATOM 378 SD MET A 29 -5.114 17.197 -1.847 1.00 0.00 S ATOM 379 CE MET A 29 -4.327 16.842 -3.409 1.00 0.00 C ATOM 0 H MET A 29 -3.723 13.418 0.357 1.00 0.00 H new ATOM 0 HA MET A 29 -2.438 15.955 -0.166 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.127 15.143 1.042 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.668 16.800 0.705 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.268 14.977 -1.606 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.939 15.088 -1.090 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.054 17.776 -3.899 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.430 16.246 -3.238 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.016 16.286 -4.045 1.00 0.00 H new ATOM 389 N HIS A 30 -2.913 14.856 2.890 1.00 0.00 N ATOM 390 CA HIS A 30 -2.534 15.054 4.279 1.00 0.00 C ATOM 391 C HIS A 30 -1.015 14.942 4.418 1.00 0.00 C ATOM 392 O HIS A 30 -0.409 15.639 5.231 1.00 0.00 O ATOM 393 CB HIS A 30 -3.286 14.082 5.191 1.00 0.00 C ATOM 394 CG HIS A 30 -4.710 14.489 5.481 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.458 13.927 6.501 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.515 15.409 4.877 1.00 0.00 C ATOM 397 CE1 HIS A 30 -6.657 14.489 6.501 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.691 15.408 5.493 1.00 0.00 N ATOM 0 H HIS A 30 -3.446 14.005 2.710 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.820 16.056 4.598 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.288 13.095 4.729 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.746 13.992 6.133 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.242 16.033 4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.466 14.260 7.179 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.488 15.997 5.252 1.00 0.00 H new ATOM 406 N THR A 31 -0.442 14.061 3.611 1.00 0.00 N ATOM 407 CA THR A 31 0.995 13.850 3.633 1.00 0.00 C ATOM 408 C THR A 31 1.708 14.947 2.840 1.00 0.00 C ATOM 409 O THR A 31 1.127 15.540 1.932 1.00 0.00 O ATOM 410 CB THR A 31 1.274 12.441 3.107 1.00 0.00 C ATOM 411 OG1 THR A 31 0.306 12.256 2.078 1.00 0.00 O ATOM 412 CG2 THR A 31 0.939 11.356 4.133 1.00 0.00 C ATOM 0 H THR A 31 -0.947 13.485 2.938 1.00 0.00 H new ATOM 0 HA THR A 31 1.389 13.918 4.647 1.00 0.00 H new ATOM 0 HB THR A 31 2.323 12.361 2.823 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.261 11.488 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.155 10.375 3.709 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.541 11.505 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.118 11.414 4.392 1.00 0.00 H new ATOM 420 N HIS A 32 2.958 15.184 3.211 1.00 0.00 N ATOM 421 CA HIS A 32 3.757 16.199 2.545 1.00 0.00 C ATOM 422 C HIS A 32 3.502 16.145 1.037 1.00 0.00 C ATOM 423 O HIS A 32 3.451 17.180 0.375 1.00 0.00 O ATOM 424 CB HIS A 32 5.237 16.047 2.902 1.00 0.00 C ATOM 425 CG HIS A 32 6.023 17.333 2.824 1.00 0.00 C ATOM 426 ND1 HIS A 32 7.255 17.498 3.432 1.00 0.00 N ATOM 427 CD2 HIS A 32 5.740 18.514 2.202 1.00 0.00 C ATOM 428 CE1 HIS A 32 7.685 18.726 3.182 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.744 19.354 2.420 1.00 0.00 N ATOM 0 H HIS A 32 3.437 14.691 3.964 1.00 0.00 H new ATOM 0 HA HIS A 32 3.459 17.188 2.894 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.317 15.645 3.912 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.689 15.316 2.231 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.850 18.729 1.629 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.616 19.154 3.522 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.802 20.312 2.074 1.00 0.00 H new ATOM 437 N LEU A 33 3.349 14.927 0.539 1.00 0.00 N ATOM 438 CA LEU A 33 3.100 14.725 -0.879 1.00 0.00 C ATOM 439 C LEU A 33 2.127 15.793 -1.379 1.00 0.00 C ATOM 440 O LEU A 33 2.369 16.427 -2.405 1.00 0.00 O ATOM 441 CB LEU A 33 2.630 13.293 -1.141 1.00 0.00 C ATOM 442 CG LEU A 33 3.209 12.613 -2.383 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.656 12.178 -2.146 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.326 11.447 -2.833 1.00 0.00 C ATOM 0 H LEU A 33 3.393 14.070 1.091 1.00 0.00 H new ATOM 0 HA LEU A 33 4.022 14.843 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.877 12.686 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.543 13.299 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 33 3.220 13.340 -3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.043 11.698 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.264 13.051 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.693 11.475 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.761 10.982 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.259 10.711 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.329 11.817 -3.071 1.00 0.00 H new ATOM 456 N GLY A 34 1.046 15.960 -0.632 1.00 0.00 N ATOM 457 CA GLY A 34 0.035 16.941 -0.987 1.00 0.00 C ATOM 458 C GLY A 34 -0.648 16.573 -2.306 1.00 0.00 C ATOM 459 O GLY A 34 -1.403 17.369 -2.863 1.00 0.00 O ATOM 0 H GLY A 34 0.848 15.432 0.218 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.709 17.005 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.494 17.926 -1.073 1.00 0.00 H new ATOM 463 N ALA A 35 -0.358 15.365 -2.768 1.00 0.00 N ATOM 464 CA ALA A 35 -0.934 14.881 -4.011 1.00 0.00 C ATOM 465 C ALA A 35 -2.194 14.070 -3.702 1.00 0.00 C ATOM 466 O ALA A 35 -2.328 13.516 -2.613 1.00 0.00 O ATOM 467 CB ALA A 35 0.111 14.066 -4.775 1.00 0.00 C ATOM 0 H ALA A 35 0.268 14.707 -2.304 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.227 15.715 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.321 13.703 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.973 14.695 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.427 13.218 -4.167 1.00 0.00 H new ATOM 473 N PRO A 36 -3.109 14.025 -4.707 1.00 0.00 N ATOM 474 CA PRO A 36 -4.354 13.292 -4.554 1.00 0.00 C ATOM 475 C PRO A 36 -4.117 11.783 -4.656 1.00 0.00 C ATOM 476 O PRO A 36 -3.272 11.335 -5.429 1.00 0.00 O ATOM 477 CB PRO A 36 -5.263 13.825 -5.649 1.00 0.00 C ATOM 478 CG PRO A 36 -4.348 14.497 -6.660 1.00 0.00 C ATOM 479 CD PRO A 36 -2.984 14.670 -6.011 1.00 0.00 C ATOM 0 HA PRO A 36 -4.808 13.435 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.831 13.018 -6.112 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.986 14.533 -5.246 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -4.267 13.892 -7.563 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.754 15.463 -6.959 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.199 14.206 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.725 15.724 -5.908 1.00 0.00 H new ATOM 487 N GLY A 37 -4.878 11.042 -3.864 1.00 0.00 N ATOM 488 CA GLY A 37 -4.762 9.594 -3.856 1.00 0.00 C ATOM 489 C GLY A 37 -4.353 9.085 -2.472 1.00 0.00 C ATOM 490 O GLY A 37 -4.024 9.875 -1.588 1.00 0.00 O ATOM 0 H GLY A 37 -5.577 11.417 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.713 9.148 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.025 9.280 -4.595 1.00 0.00 H new ATOM 494 N LEU A 38 -4.386 7.768 -2.327 1.00 0.00 N ATOM 495 CA LEU A 38 -4.022 7.145 -1.066 1.00 0.00 C ATOM 496 C LEU A 38 -2.616 6.554 -1.181 1.00 0.00 C ATOM 497 O LEU A 38 -2.200 6.138 -2.262 1.00 0.00 O ATOM 498 CB LEU A 38 -5.085 6.127 -0.646 1.00 0.00 C ATOM 499 CG LEU A 38 -6.293 6.689 0.105 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.890 7.194 1.492 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.994 7.773 -0.718 1.00 0.00 C ATOM 0 H LEU A 38 -4.659 7.116 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.991 7.887 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.443 5.616 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.610 5.374 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.010 5.881 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.767 7.588 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.471 6.371 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.145 7.983 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.849 8.156 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.297 8.587 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.336 7.349 -1.662 1.00 0.00 H new ATOM 513 N TYR A 39 -1.922 6.536 -0.052 1.00 0.00 N ATOM 514 CA TYR A 39 -0.571 6.003 -0.013 1.00 0.00 C ATOM 515 C TYR A 39 -0.324 5.231 1.285 1.00 0.00 C ATOM 516 O TYR A 39 -0.846 5.596 2.337 1.00 0.00 O ATOM 517 CB TYR A 39 0.362 7.214 -0.058 1.00 0.00 C ATOM 518 CG TYR A 39 0.160 8.110 -1.282 1.00 0.00 C ATOM 519 CD1 TYR A 39 -1.006 8.835 -1.421 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.144 8.193 -2.246 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.196 9.678 -2.573 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.953 9.036 -3.398 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.207 9.737 -3.505 1.00 0.00 C ATOM 524 OH TYR A 39 -0.387 10.533 -4.593 1.00 0.00 O ATOM 0 H TYR A 39 -2.270 6.882 0.842 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.405 5.317 -0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.213 7.808 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.395 6.865 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.776 8.770 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.057 7.626 -2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.104 10.251 -2.694 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.715 9.110 -4.160 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.344 10.707 -4.716 1.00 0.00 H new ATOM 534 N ILE A 40 0.473 4.179 1.168 1.00 0.00 N ATOM 535 CA ILE A 40 0.797 3.354 2.319 1.00 0.00 C ATOM 536 C ILE A 40 1.628 4.171 3.310 1.00 0.00 C ATOM 537 O ILE A 40 2.690 4.683 2.960 1.00 0.00 O ATOM 538 CB ILE A 40 1.471 2.055 1.874 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.572 1.270 0.917 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.895 1.215 3.082 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.175 -0.100 0.598 1.00 0.00 C ATOM 0 H ILE A 40 0.904 3.879 0.293 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.112 3.052 2.839 1.00 0.00 H new ATOM 0 HB ILE A 40 2.378 2.311 1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.415 1.142 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.435 1.835 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.371 0.297 2.738 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.599 1.783 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.017 0.966 3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.516 -0.638 -0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.151 0.032 0.131 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.288 -0.671 1.519 1.00 0.00 H new ATOM 553 N GLN A 41 1.114 4.267 4.527 1.00 0.00 N ATOM 554 CA GLN A 41 1.796 5.013 5.571 1.00 0.00 C ATOM 555 C GLN A 41 2.514 4.056 6.525 1.00 0.00 C ATOM 556 O GLN A 41 3.608 4.354 7.001 1.00 0.00 O ATOM 557 CB GLN A 41 0.818 5.913 6.330 1.00 0.00 C ATOM 558 CG GLN A 41 1.513 7.182 6.826 1.00 0.00 C ATOM 559 CD GLN A 41 0.815 7.740 8.068 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.138 7.177 8.582 1.00 0.00 O ATOM 561 NE2 GLN A 41 1.340 8.875 8.520 1.00 0.00 N ATOM 0 H GLN A 41 0.233 3.840 4.814 1.00 0.00 H new ATOM 0 HA GLN A 41 2.542 5.656 5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.015 6.181 5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.399 5.369 7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.555 6.963 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.513 7.933 6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.138 9.294 8.042 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.945 9.327 9.344 1.00 0.00 H new ATOM 570 N THR A 42 1.869 2.926 6.775 1.00 0.00 N ATOM 571 CA THR A 42 2.432 1.924 7.663 1.00 0.00 C ATOM 572 C THR A 42 2.014 0.521 7.218 1.00 0.00 C ATOM 573 O THR A 42 1.268 0.369 6.251 1.00 0.00 O ATOM 574 CB THR A 42 2.000 2.261 9.092 1.00 0.00 C ATOM 575 OG1 THR A 42 0.691 2.802 8.940 1.00 0.00 O ATOM 576 CG2 THR A 42 2.811 3.412 9.692 1.00 0.00 C ATOM 0 H THR A 42 0.962 2.682 6.378 1.00 0.00 H new ATOM 0 HA THR A 42 3.521 1.932 7.627 1.00 0.00 H new ATOM 0 HB THR A 42 2.104 1.377 9.721 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.334 3.046 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.465 3.611 10.706 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.866 3.140 9.716 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.680 4.306 9.082 1.00 0.00 H new ATOM 584 N LEU A 43 2.512 -0.469 7.944 1.00 0.00 N ATOM 585 CA LEU A 43 2.200 -1.854 7.635 1.00 0.00 C ATOM 586 C LEU A 43 2.092 -2.650 8.938 1.00 0.00 C ATOM 587 O LEU A 43 3.105 -3.013 9.533 1.00 0.00 O ATOM 588 CB LEU A 43 3.218 -2.426 6.648 1.00 0.00 C ATOM 589 CG LEU A 43 3.114 -1.919 5.208 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.354 -2.306 4.400 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.824 -2.408 4.547 1.00 0.00 C ATOM 0 H LEU A 43 3.129 -0.339 8.745 1.00 0.00 H new ATOM 0 HA LEU A 43 1.234 -1.925 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.219 -2.204 7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.115 -3.511 6.639 1.00 0.00 H new ATOM 0 HG LEU A 43 3.072 -0.830 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.255 -1.934 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.240 -1.869 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.452 -3.391 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.775 -2.034 3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.812 -3.498 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.965 -2.041 5.109 1.00 0.00 H new ATOM 603 N LEU A 44 0.854 -2.897 9.342 1.00 0.00 N ATOM 604 CA LEU A 44 0.601 -3.643 10.563 1.00 0.00 C ATOM 605 C LEU A 44 1.512 -4.872 10.603 1.00 0.00 C ATOM 606 O LEU A 44 1.758 -5.501 9.575 1.00 0.00 O ATOM 607 CB LEU A 44 -0.887 -3.977 10.688 1.00 0.00 C ATOM 608 CG LEU A 44 -1.440 -4.053 12.112 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.848 -3.460 12.186 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.393 -5.488 12.642 1.00 0.00 C ATOM 0 H LEU A 44 0.016 -2.594 8.846 1.00 0.00 H new ATOM 0 HA LEU A 44 0.843 -3.037 11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.455 -3.226 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.067 -4.934 10.198 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.803 -3.450 12.759 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.218 -3.527 13.209 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.819 -2.415 11.878 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.512 -4.015 11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.792 -5.515 13.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.992 -6.133 11.999 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.361 -5.840 12.648 1.00 0.00 H new ATOM 622 N PRO A 45 2.000 -5.185 11.833 1.00 0.00 N ATOM 623 CA PRO A 45 2.879 -6.327 12.020 1.00 0.00 C ATOM 624 C PRO A 45 2.093 -7.639 11.960 1.00 0.00 C ATOM 625 O PRO A 45 0.902 -7.668 12.266 1.00 0.00 O ATOM 626 CB PRO A 45 3.544 -6.095 13.367 1.00 0.00 C ATOM 627 CG PRO A 45 2.675 -5.080 14.092 1.00 0.00 C ATOM 628 CD PRO A 45 1.730 -4.463 13.073 1.00 0.00 C ATOM 0 HA PRO A 45 3.626 -6.416 11.232 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.614 -7.024 13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.560 -5.721 13.242 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.112 -5.561 14.892 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.292 -4.310 14.555 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.690 -4.576 13.378 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.914 -3.395 12.958 1.00 0.00 H new ATOM 636 N GLY A 46 2.792 -8.692 11.563 1.00 0.00 N ATOM 637 CA GLY A 46 2.175 -10.004 11.459 1.00 0.00 C ATOM 638 C GLY A 46 0.910 -9.947 10.600 1.00 0.00 C ATOM 639 O GLY A 46 0.064 -10.838 10.675 1.00 0.00 O ATOM 0 H GLY A 46 3.780 -8.664 11.309 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.883 -10.710 11.024 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.927 -10.373 12.454 1.00 0.00 H new ATOM 643 N SER A 47 0.820 -8.892 9.803 1.00 0.00 N ATOM 644 CA SER A 47 -0.327 -8.709 8.931 1.00 0.00 C ATOM 645 C SER A 47 0.007 -9.189 7.518 1.00 0.00 C ATOM 646 O SER A 47 1.160 -9.498 7.220 1.00 0.00 O ATOM 647 CB SER A 47 -0.769 -7.244 8.903 1.00 0.00 C ATOM 648 OG SER A 47 -0.281 -6.561 7.752 1.00 0.00 O ATOM 0 H SER A 47 1.523 -8.155 9.743 1.00 0.00 H new ATOM 0 HA SER A 47 -1.153 -9.303 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.858 -7.193 8.920 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.412 -6.741 9.802 1.00 0.00 H new ATOM 0 HG SER A 47 -1.032 -6.160 7.267 1.00 0.00 H new ATOM 654 N PRO A 48 -1.049 -9.239 6.662 1.00 0.00 N ATOM 655 CA PRO A 48 -0.878 -9.676 5.287 1.00 0.00 C ATOM 656 C PRO A 48 -0.204 -8.591 4.446 1.00 0.00 C ATOM 657 O PRO A 48 0.681 -8.883 3.643 1.00 0.00 O ATOM 658 CB PRO A 48 -2.280 -10.016 4.806 1.00 0.00 C ATOM 659 CG PRO A 48 -3.230 -9.319 5.766 1.00 0.00 C ATOM 660 CD PRO A 48 -2.428 -8.881 6.980 1.00 0.00 C ATOM 0 HA PRO A 48 -0.220 -10.540 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.436 -9.672 3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.443 -11.094 4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.695 -8.458 5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.035 -9.992 6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.529 -7.810 7.156 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.770 -9.386 7.884 1.00 0.00 H new ATOM 668 N ALA A 49 -0.647 -7.361 4.660 1.00 0.00 N ATOM 669 CA ALA A 49 -0.097 -6.230 3.931 1.00 0.00 C ATOM 670 C ALA A 49 1.384 -6.074 4.283 1.00 0.00 C ATOM 671 O ALA A 49 2.123 -5.384 3.582 1.00 0.00 O ATOM 672 CB ALA A 49 -0.908 -4.973 4.251 1.00 0.00 C ATOM 0 H ALA A 49 -1.380 -7.122 5.328 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.165 -6.396 2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.496 -4.125 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.946 -5.125 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.861 -4.772 5.321 1.00 0.00 H new ATOM 678 N ALA A 50 1.774 -6.726 5.368 1.00 0.00 N ATOM 679 CA ALA A 50 3.153 -6.669 5.821 1.00 0.00 C ATOM 680 C ALA A 50 3.851 -7.988 5.486 1.00 0.00 C ATOM 681 O ALA A 50 4.982 -7.991 5.001 1.00 0.00 O ATOM 682 CB ALA A 50 3.186 -6.356 7.318 1.00 0.00 C ATOM 0 H ALA A 50 1.158 -7.297 5.947 1.00 0.00 H new ATOM 0 HA ALA A 50 3.692 -5.872 5.309 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.221 -6.313 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.704 -5.395 7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.656 -7.136 7.865 1.00 0.00 H new ATOM 688 N ALA A 51 3.148 -9.078 5.757 1.00 0.00 N ATOM 689 CA ALA A 51 3.687 -10.401 5.491 1.00 0.00 C ATOM 690 C ALA A 51 4.121 -10.485 4.026 1.00 0.00 C ATOM 691 O ALA A 51 5.114 -11.137 3.705 1.00 0.00 O ATOM 692 CB ALA A 51 2.642 -11.460 5.850 1.00 0.00 C ATOM 0 H ALA A 51 2.210 -9.072 6.158 1.00 0.00 H new ATOM 0 HA ALA A 51 4.566 -10.588 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.046 -12.452 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.388 -11.377 6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.746 -11.306 5.249 1.00 0.00 H new ATOM 698 N ASP A 52 3.357 -9.814 3.176 1.00 0.00 N ATOM 699 CA ASP A 52 3.651 -9.804 1.753 1.00 0.00 C ATOM 700 C ASP A 52 5.110 -9.393 1.541 1.00 0.00 C ATOM 701 O ASP A 52 5.894 -10.148 0.968 1.00 0.00 O ATOM 702 CB ASP A 52 2.764 -8.799 1.015 1.00 0.00 C ATOM 703 CG ASP A 52 2.646 -9.028 -0.493 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.900 -9.958 -0.869 1.00 0.00 O ATOM 705 OD2 ASP A 52 3.303 -8.268 -1.236 1.00 0.00 O ATOM 0 H ASP A 52 2.535 -9.274 3.446 1.00 0.00 H new ATOM 0 HA ASP A 52 3.464 -10.804 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.766 -8.829 1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.156 -7.797 1.186 1.00 0.00 H new ATOM 710 N GLY A 53 5.429 -8.197 2.014 1.00 0.00 N ATOM 711 CA GLY A 53 6.779 -7.676 1.883 1.00 0.00 C ATOM 712 C GLY A 53 6.827 -6.524 0.878 1.00 0.00 C ATOM 713 O GLY A 53 7.191 -5.403 1.230 1.00 0.00 O ATOM 0 H GLY A 53 4.776 -7.574 2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.135 -7.331 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.450 -8.472 1.561 1.00 0.00 H new ATOM 717 N ARG A 54 6.455 -6.839 -0.354 1.00 0.00 N ATOM 718 CA ARG A 54 6.451 -5.844 -1.412 1.00 0.00 C ATOM 719 C ARG A 54 5.931 -4.507 -0.882 1.00 0.00 C ATOM 720 O ARG A 54 6.642 -3.503 -0.914 1.00 0.00 O ATOM 721 CB ARG A 54 5.579 -6.293 -2.587 1.00 0.00 C ATOM 722 CG ARG A 54 6.200 -5.875 -3.921 1.00 0.00 C ATOM 723 CD ARG A 54 6.553 -4.386 -3.920 1.00 0.00 C ATOM 724 NE ARG A 54 7.058 -3.985 -5.252 1.00 0.00 N ATOM 725 CZ ARG A 54 8.306 -4.212 -5.682 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.184 -4.839 -4.888 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.677 -3.813 -6.906 1.00 0.00 N ATOM 0 H ARG A 54 6.154 -7.770 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 54 7.477 -5.726 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.458 -7.376 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.584 -5.858 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.097 -6.465 -4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.504 -6.087 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.674 -3.796 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.307 -4.183 -3.160 1.00 0.00 H new ATOM 0 HE ARG A 54 6.415 -3.506 -5.882 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.902 -5.143 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.134 -5.012 -5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.009 -3.336 -7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.628 -3.986 -7.233 1.00 0.00 H new ATOM 741 N LEU A 55 4.695 -4.535 -0.405 1.00 0.00 N ATOM 742 CA LEU A 55 4.072 -3.338 0.132 1.00 0.00 C ATOM 743 C LEU A 55 5.103 -2.553 0.946 1.00 0.00 C ATOM 744 O LEU A 55 5.518 -2.992 2.017 1.00 0.00 O ATOM 745 CB LEU A 55 2.811 -3.697 0.920 1.00 0.00 C ATOM 746 CG LEU A 55 1.484 -3.524 0.178 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.611 -3.963 -1.282 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.352 -4.256 0.901 1.00 0.00 C ATOM 0 H LEU A 55 4.108 -5.369 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 55 3.740 -2.687 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.891 -4.735 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.783 -3.084 1.821 1.00 0.00 H new ATOM 0 HG LEU A 55 1.230 -2.464 0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.654 -3.830 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.370 -3.359 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.899 -5.013 -1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.580 -4.117 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.584 -5.319 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.244 -3.854 1.908 1.00 0.00 H new ATOM 760 N SER A 56 5.487 -1.405 0.406 1.00 0.00 N ATOM 761 CA SER A 56 6.461 -0.555 1.068 1.00 0.00 C ATOM 762 C SER A 56 5.801 0.753 1.508 1.00 0.00 C ATOM 763 O SER A 56 4.771 1.147 0.963 1.00 0.00 O ATOM 764 CB SER A 56 7.653 -0.267 0.154 1.00 0.00 C ATOM 765 OG SER A 56 7.283 -0.272 -1.223 1.00 0.00 O ATOM 0 H SER A 56 5.141 -1.044 -0.483 1.00 0.00 H new ATOM 0 HA SER A 56 6.832 -1.081 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.081 0.702 0.411 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.429 -1.014 0.324 1.00 0.00 H new ATOM 0 HG SER A 56 6.692 0.488 -1.406 1.00 0.00 H new ATOM 771 N LEU A 57 6.421 1.391 2.490 1.00 0.00 N ATOM 772 CA LEU A 57 5.907 2.647 3.009 1.00 0.00 C ATOM 773 C LEU A 57 6.063 3.736 1.945 1.00 0.00 C ATOM 774 O LEU A 57 7.135 3.890 1.362 1.00 0.00 O ATOM 775 CB LEU A 57 6.575 2.990 4.342 1.00 0.00 C ATOM 776 CG LEU A 57 6.398 1.964 5.464 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.491 2.633 6.837 1.00 0.00 C ATOM 778 CD2 LEU A 57 5.093 1.184 5.293 1.00 0.00 C ATOM 0 H LEU A 57 7.275 1.061 2.940 1.00 0.00 H new ATOM 0 HA LEU A 57 4.842 2.562 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.642 3.127 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.183 3.947 4.687 1.00 0.00 H new ATOM 0 HG LEU A 57 7.214 1.244 5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.362 1.883 7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.467 3.106 6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.710 3.388 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.992 0.462 6.103 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.250 1.875 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.106 0.659 4.338 1.00 0.00 H new ATOM 790 N GLY A 58 4.977 4.463 1.724 1.00 0.00 N ATOM 791 CA GLY A 58 4.980 5.532 0.741 1.00 0.00 C ATOM 792 C GLY A 58 4.223 5.118 -0.523 1.00 0.00 C ATOM 793 O GLY A 58 3.721 5.967 -1.257 1.00 0.00 O ATOM 0 H GLY A 58 4.089 4.332 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.522 6.424 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.007 5.792 0.485 1.00 0.00 H new ATOM 797 N ASP A 59 4.165 3.812 -0.737 1.00 0.00 N ATOM 798 CA ASP A 59 3.477 3.274 -1.899 1.00 0.00 C ATOM 799 C ASP A 59 2.167 4.035 -2.108 1.00 0.00 C ATOM 800 O ASP A 59 1.574 4.533 -1.152 1.00 0.00 O ATOM 801 CB ASP A 59 3.139 1.795 -1.703 1.00 0.00 C ATOM 802 CG ASP A 59 4.308 0.831 -1.913 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.361 1.310 -2.386 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.122 -0.364 -1.595 1.00 0.00 O ATOM 0 H ASP A 59 4.583 3.110 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 59 4.135 3.382 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.751 1.657 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.338 1.527 -2.392 1.00 0.00 H new ATOM 809 N ARG A 60 1.753 4.103 -3.365 1.00 0.00 N ATOM 810 CA ARG A 60 0.524 4.795 -3.712 1.00 0.00 C ATOM 811 C ARG A 60 -0.455 3.832 -4.388 1.00 0.00 C ATOM 812 O ARG A 60 -0.157 3.280 -5.446 1.00 0.00 O ATOM 813 CB ARG A 60 0.800 5.972 -4.650 1.00 0.00 C ATOM 814 CG ARG A 60 -0.490 6.724 -4.981 1.00 0.00 C ATOM 815 CD ARG A 60 -0.406 7.375 -6.363 1.00 0.00 C ATOM 816 NE ARG A 60 -1.682 8.054 -6.682 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.803 9.047 -7.574 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.726 9.482 -8.242 1.00 0.00 N ATOM 819 NH2 ARG A 60 -3.000 9.604 -7.798 1.00 0.00 N ATOM 0 H ARG A 60 2.247 3.690 -4.156 1.00 0.00 H new ATOM 0 HA ARG A 60 0.086 5.176 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.513 6.653 -4.185 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.259 5.609 -5.569 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.335 6.036 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.674 7.488 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.413 8.094 -6.386 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.188 6.619 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.522 7.747 -6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.186 9.057 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.818 10.238 -8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.820 9.273 -7.290 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.092 10.360 -8.477 1.00 0.00 H new ATOM 833 N ILE A 61 -1.603 3.661 -3.749 1.00 0.00 N ATOM 834 CA ILE A 61 -2.627 2.775 -4.274 1.00 0.00 C ATOM 835 C ILE A 61 -3.318 3.448 -5.462 1.00 0.00 C ATOM 836 O ILE A 61 -3.448 4.671 -5.497 1.00 0.00 O ATOM 837 CB ILE A 61 -3.590 2.350 -3.164 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.824 1.888 -1.922 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.568 1.285 -3.663 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.275 0.472 -2.112 1.00 0.00 C ATOM 0 H ILE A 61 -1.846 4.121 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.178 1.854 -4.645 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.182 3.218 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.003 2.576 -1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.483 1.913 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.241 1.001 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.149 1.685 -4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.012 0.409 -3.997 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.735 0.168 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.100 -0.217 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.598 0.456 -2.966 1.00 0.00 H new ATOM 852 N LEU A 62 -3.742 2.621 -6.406 1.00 0.00 N ATOM 853 CA LEU A 62 -4.416 3.121 -7.592 1.00 0.00 C ATOM 854 C LEU A 62 -5.797 2.472 -7.701 1.00 0.00 C ATOM 855 O LEU A 62 -6.779 3.143 -8.013 1.00 0.00 O ATOM 856 CB LEU A 62 -3.541 2.918 -8.831 1.00 0.00 C ATOM 857 CG LEU A 62 -2.147 3.545 -8.778 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.294 3.086 -9.962 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.234 5.070 -8.691 1.00 0.00 C ATOM 0 H LEU A 62 -3.632 1.607 -6.374 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.575 4.197 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.430 1.847 -9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.068 3.325 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.651 3.199 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.308 3.546 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.190 2.001 -9.937 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.775 3.383 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.229 5.490 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.757 5.455 -9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.778 5.353 -7.790 1.00 0.00 H new ATOM 871 N GLU A 63 -5.828 1.174 -7.437 1.00 0.00 N ATOM 872 CA GLU A 63 -7.072 0.426 -7.501 1.00 0.00 C ATOM 873 C GLU A 63 -7.233 -0.444 -6.253 1.00 0.00 C ATOM 874 O GLU A 63 -6.249 -0.790 -5.602 1.00 0.00 O ATOM 875 CB GLU A 63 -7.137 -0.422 -8.773 1.00 0.00 C ATOM 876 CG GLU A 63 -7.302 0.461 -10.012 1.00 0.00 C ATOM 877 CD GLU A 63 -6.998 -0.325 -11.289 1.00 0.00 C ATOM 878 OE1 GLU A 63 -6.966 -1.571 -11.195 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.805 0.338 -12.331 1.00 0.00 O ATOM 0 H GLU A 63 -5.011 0.621 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.899 1.136 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.228 -1.017 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.971 -1.121 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.320 0.850 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.635 1.320 -9.942 1.00 0.00 H new ATOM 886 N VAL A 64 -8.482 -0.774 -5.958 1.00 0.00 N ATOM 887 CA VAL A 64 -8.785 -1.597 -4.800 1.00 0.00 C ATOM 888 C VAL A 64 -9.890 -2.592 -5.162 1.00 0.00 C ATOM 889 O VAL A 64 -11.034 -2.200 -5.386 1.00 0.00 O ATOM 890 CB VAL A 64 -9.147 -0.710 -3.607 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.142 -1.414 -2.682 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.894 -0.282 -2.841 1.00 0.00 C ATOM 0 H VAL A 64 -9.296 -0.486 -6.501 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.910 -2.176 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.627 0.190 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.382 -0.762 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.053 -1.644 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.701 -2.338 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.180 0.347 -1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.373 -1.166 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.235 0.278 -3.505 1.00 0.00 H new ATOM 902 N ASN A 65 -9.508 -3.860 -5.208 1.00 0.00 N ATOM 903 CA ASN A 65 -10.452 -4.914 -5.539 1.00 0.00 C ATOM 904 C ASN A 65 -10.998 -4.679 -6.949 1.00 0.00 C ATOM 905 O ASN A 65 -12.043 -5.218 -7.311 1.00 0.00 O ATOM 906 CB ASN A 65 -11.634 -4.920 -4.568 1.00 0.00 C ATOM 907 CG ASN A 65 -11.527 -6.084 -3.581 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.830 -7.060 -3.805 1.00 0.00 O ATOM 909 ND2 ASN A 65 -12.255 -5.927 -2.479 1.00 0.00 N ATOM 0 H ASN A 65 -8.558 -4.181 -5.022 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.929 -5.868 -5.475 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.665 -3.977 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.567 -4.996 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.252 -6.649 -1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.817 -5.085 -2.355 1.00 0.00 H new ATOM 916 N GLY A 66 -10.268 -3.874 -7.706 1.00 0.00 N ATOM 917 CA GLY A 66 -10.666 -3.561 -9.068 1.00 0.00 C ATOM 918 C GLY A 66 -11.562 -2.321 -9.105 1.00 0.00 C ATOM 919 O GLY A 66 -12.583 -2.309 -9.792 1.00 0.00 O ATOM 0 H GLY A 66 -9.402 -3.428 -7.402 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.780 -3.393 -9.680 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.195 -4.410 -9.500 1.00 0.00 H new ATOM 923 N SER A 67 -11.148 -1.308 -8.359 1.00 0.00 N ATOM 924 CA SER A 67 -11.900 -0.066 -8.299 1.00 0.00 C ATOM 925 C SER A 67 -10.955 1.126 -8.461 1.00 0.00 C ATOM 926 O SER A 67 -10.119 1.382 -7.596 1.00 0.00 O ATOM 927 CB SER A 67 -12.674 0.045 -6.984 1.00 0.00 C ATOM 928 OG SER A 67 -14.007 0.508 -7.186 1.00 0.00 O ATOM 0 H SER A 67 -10.301 -1.322 -7.791 1.00 0.00 H new ATOM 0 HA SER A 67 -12.622 -0.063 -9.116 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.699 -0.929 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.152 0.726 -6.312 1.00 0.00 H new ATOM 0 HG SER A 67 -14.633 -0.086 -6.723 1.00 0.00 H new ATOM 934 N SER A 68 -11.121 1.825 -9.575 1.00 0.00 N ATOM 935 CA SER A 68 -10.294 2.984 -9.861 1.00 0.00 C ATOM 936 C SER A 68 -10.371 3.981 -8.703 1.00 0.00 C ATOM 937 O SER A 68 -11.453 4.451 -8.355 1.00 0.00 O ATOM 938 CB SER A 68 -10.720 3.655 -11.169 1.00 0.00 C ATOM 939 OG SER A 68 -9.826 3.357 -12.238 1.00 0.00 O ATOM 0 H SER A 68 -11.816 1.610 -10.290 1.00 0.00 H new ATOM 0 HA SER A 68 -9.263 2.649 -9.975 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.725 3.326 -11.434 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.765 4.734 -11.025 1.00 0.00 H new ATOM 0 HG SER A 68 -10.133 3.802 -13.055 1.00 0.00 H new ATOM 945 N LEU A 69 -9.209 4.274 -8.138 1.00 0.00 N ATOM 946 CA LEU A 69 -9.131 5.206 -7.027 1.00 0.00 C ATOM 947 C LEU A 69 -8.563 6.538 -7.523 1.00 0.00 C ATOM 948 O LEU A 69 -7.517 6.984 -7.054 1.00 0.00 O ATOM 949 CB LEU A 69 -8.341 4.594 -5.868 1.00 0.00 C ATOM 950 CG LEU A 69 -8.859 4.908 -4.463 1.00 0.00 C ATOM 951 CD1 LEU A 69 -8.084 4.121 -3.405 1.00 0.00 C ATOM 952 CD2 LEU A 69 -8.832 6.414 -4.193 1.00 0.00 C ATOM 0 H LEU A 69 -8.314 3.882 -8.429 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.126 5.411 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.328 3.512 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.308 4.936 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.900 4.589 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.472 4.362 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.199 3.053 -3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.028 4.386 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.205 6.610 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.809 6.781 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.463 6.925 -4.920 1.00 0.00 H new ATOM 964 N LEU A 70 -9.278 7.135 -8.464 1.00 0.00 N ATOM 965 CA LEU A 70 -8.858 8.407 -9.029 1.00 0.00 C ATOM 966 C LEU A 70 -9.626 9.541 -8.347 1.00 0.00 C ATOM 967 O LEU A 70 -10.843 9.461 -8.183 1.00 0.00 O ATOM 968 CB LEU A 70 -9.007 8.392 -10.551 1.00 0.00 C ATOM 969 CG LEU A 70 -8.051 7.470 -11.310 1.00 0.00 C ATOM 970 CD1 LEU A 70 -8.421 7.395 -12.792 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.596 7.898 -11.104 1.00 0.00 C ATOM 0 H LEU A 70 -10.145 6.762 -8.850 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.799 8.578 -8.837 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.029 8.101 -10.793 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.869 9.408 -10.920 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.152 6.464 -10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.725 6.733 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.435 7.007 -12.895 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.367 8.391 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.938 7.226 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.461 8.917 -11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.351 7.857 -10.043 1.00 0.00 H new ATOM 983 N GLY A 71 -8.884 10.571 -7.967 1.00 0.00 N ATOM 984 CA GLY A 71 -9.480 11.720 -7.307 1.00 0.00 C ATOM 985 C GLY A 71 -10.572 11.284 -6.327 1.00 0.00 C ATOM 986 O GLY A 71 -11.521 12.026 -6.080 1.00 0.00 O ATOM 0 H GLY A 71 -7.875 10.634 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.710 12.278 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.903 12.393 -8.053 1.00 0.00 H new ATOM 990 N LEU A 72 -10.401 10.082 -5.797 1.00 0.00 N ATOM 991 CA LEU A 72 -11.359 9.538 -4.850 1.00 0.00 C ATOM 992 C LEU A 72 -10.929 9.904 -3.428 1.00 0.00 C ATOM 993 O LEU A 72 -9.834 9.549 -2.996 1.00 0.00 O ATOM 994 CB LEU A 72 -11.537 8.035 -5.071 1.00 0.00 C ATOM 995 CG LEU A 72 -12.724 7.621 -5.944 1.00 0.00 C ATOM 996 CD1 LEU A 72 -12.898 6.101 -5.946 1.00 0.00 C ATOM 997 CD2 LEU A 72 -14.001 8.344 -5.512 1.00 0.00 C ATOM 0 H LEU A 72 -9.613 9.469 -6.006 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.343 9.979 -5.009 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.625 7.644 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.642 7.555 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.516 7.923 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.748 5.833 -6.574 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.995 5.632 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.075 5.754 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.829 8.032 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -14.227 8.095 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.858 9.421 -5.604 1.00 0.00 H new ATOM 1009 N GLY A 73 -11.814 10.610 -2.739 1.00 0.00 N ATOM 1010 CA GLY A 73 -11.540 11.027 -1.375 1.00 0.00 C ATOM 1011 C GLY A 73 -11.086 9.843 -0.519 1.00 0.00 C ATOM 1012 O GLY A 73 -10.936 8.730 -1.023 1.00 0.00 O ATOM 0 H GLY A 73 -12.721 10.904 -3.101 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.769 11.797 -1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.435 11.472 -0.941 1.00 0.00 H new ATOM 1016 N TYR A 74 -10.881 10.122 0.759 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.448 9.093 1.690 1.00 0.00 C ATOM 1018 C TYR A 74 -11.553 8.059 1.917 1.00 0.00 C ATOM 1019 O TYR A 74 -11.408 6.897 1.541 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.159 9.812 3.009 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.480 8.933 4.061 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.245 8.162 4.914 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.104 8.910 4.157 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.606 7.335 5.904 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -7.465 8.083 5.148 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.247 7.336 5.972 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.644 6.555 6.907 1.00 0.00 O ATOM 0 H TYR A 74 -11.007 11.046 1.173 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.576 8.566 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.526 10.676 2.809 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.096 10.191 3.417 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.322 8.179 4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.506 9.512 3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.192 6.727 6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.389 8.057 5.235 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.671 6.655 6.839 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.632 8.519 2.533 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.761 7.649 2.815 1.00 0.00 C ATOM 1039 C LEU A 75 -14.081 6.816 1.572 1.00 0.00 C ATOM 1040 O LEU A 75 -14.314 5.612 1.670 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.949 8.463 3.332 1.00 0.00 C ATOM 1042 CG LEU A 75 -15.021 8.655 4.848 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -13.792 9.404 5.365 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -16.325 9.346 5.252 1.00 0.00 C ATOM 0 H LEU A 75 -12.748 9.483 2.845 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.512 6.949 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.922 9.446 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.868 7.977 3.003 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.019 7.671 5.317 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.869 9.527 6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.893 8.836 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.737 10.384 4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.351 9.470 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.382 10.323 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.172 8.737 4.937 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.080 7.490 0.431 1.00 0.00 N ATOM 1057 CA ARG A 76 -14.367 6.827 -0.829 1.00 0.00 C ATOM 1058 C ARG A 76 -13.446 5.620 -1.016 1.00 0.00 C ATOM 1059 O ARG A 76 -13.906 4.527 -1.343 1.00 0.00 O ATOM 1060 CB ARG A 76 -14.188 7.785 -2.009 1.00 0.00 C ATOM 1061 CG ARG A 76 -15.490 8.527 -2.316 1.00 0.00 C ATOM 1062 CD ARG A 76 -16.468 7.627 -3.074 1.00 0.00 C ATOM 1063 NE ARG A 76 -17.630 8.419 -3.537 1.00 0.00 N ATOM 1064 CZ ARG A 76 -18.788 7.884 -3.946 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.947 6.553 -3.952 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -19.788 8.680 -4.349 1.00 0.00 N ATOM 0 H ARG A 76 -13.885 8.488 0.353 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.405 6.495 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.401 8.504 -1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.867 7.228 -2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -15.948 8.866 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -15.275 9.416 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.967 7.168 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.804 6.816 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.543 9.435 -3.545 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.186 5.947 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -19.829 6.146 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.667 9.693 -4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -20.670 8.273 -4.661 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.160 5.858 -0.801 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.170 4.805 -0.941 1.00 0.00 C ATOM 1082 C ALA A 77 -11.335 3.800 0.201 1.00 0.00 C ATOM 1083 O ALA A 77 -11.119 2.603 0.015 1.00 0.00 O ATOM 1084 CB ALA A 77 -9.770 5.421 -0.978 1.00 0.00 C ATOM 0 H ALA A 77 -11.781 6.766 -0.531 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.314 4.266 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.027 4.630 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.695 6.104 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.589 5.968 -0.053 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.715 4.324 1.356 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.912 3.487 2.528 1.00 0.00 C ATOM 1092 C VAL A 78 -13.111 2.567 2.297 1.00 0.00 C ATOM 1093 O VAL A 78 -13.079 1.394 2.667 1.00 0.00 O ATOM 1094 CB VAL A 78 -12.060 4.361 3.776 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -12.485 3.524 4.984 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.768 5.127 4.066 1.00 0.00 C ATOM 0 H VAL A 78 -11.892 5.317 1.506 1.00 0.00 H new ATOM 0 HA VAL A 78 -11.042 2.851 2.694 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.845 5.092 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.583 4.169 5.857 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -13.442 3.046 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.733 2.760 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.901 5.740 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.955 4.420 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.527 5.768 3.218 1.00 0.00 H new ATOM 1106 N ASP A 79 -14.142 3.132 1.687 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.350 2.377 1.402 1.00 0.00 C ATOM 1108 C ASP A 79 -15.015 1.227 0.450 1.00 0.00 C ATOM 1109 O ASP A 79 -15.670 0.186 0.474 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.404 3.257 0.728 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.789 2.620 0.594 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -18.306 2.163 1.636 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.299 2.605 -0.547 1.00 0.00 O ATOM 0 H ASP A 79 -14.166 4.105 1.382 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.744 2.003 2.347 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.500 4.183 1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.048 3.528 -0.266 1.00 0.00 H new ATOM 1118 N LEU A 80 -13.996 1.454 -0.365 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.566 0.450 -1.323 1.00 0.00 C ATOM 1120 C LEU A 80 -12.991 -0.752 -0.572 1.00 0.00 C ATOM 1121 O LEU A 80 -13.454 -1.878 -0.749 1.00 0.00 O ATOM 1122 CB LEU A 80 -12.598 1.060 -2.340 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.202 2.071 -3.318 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -12.107 2.795 -4.103 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.221 1.400 -4.240 1.00 0.00 C ATOM 0 H LEU A 80 -13.455 2.319 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.415 0.088 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.790 1.549 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.149 0.251 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.738 2.826 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -12.563 3.507 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.454 3.326 -3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.523 2.068 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -14.635 2.140 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.731 0.611 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.024 0.969 -3.642 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.990 -0.473 0.249 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.347 -1.518 1.028 1.00 0.00 C ATOM 1139 C ILE A 81 -12.297 -1.982 2.133 1.00 0.00 C ATOM 1140 O ILE A 81 -12.071 -3.018 2.757 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.988 -1.041 1.546 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.984 -0.900 0.400 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.470 -1.962 2.652 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.860 0.559 -0.044 1.00 0.00 C ATOM 0 H ILE A 81 -11.608 0.462 0.392 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.137 -2.385 0.402 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.117 -0.052 1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.010 -1.271 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.300 -1.515 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.503 -1.601 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.178 -1.969 3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.360 -2.974 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.140 0.631 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.831 0.920 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.520 1.167 0.795 1.00 0.00 H new ATOM 1156 N ARG A 82 -13.342 -1.194 2.342 1.00 0.00 N ATOM 1157 CA ARG A 82 -14.328 -1.511 3.361 1.00 0.00 C ATOM 1158 C ARG A 82 -15.172 -2.711 2.927 1.00 0.00 C ATOM 1159 O ARG A 82 -15.384 -3.640 3.705 1.00 0.00 O ATOM 1160 CB ARG A 82 -15.248 -0.318 3.627 1.00 0.00 C ATOM 1161 CG ARG A 82 -16.445 -0.731 4.487 1.00 0.00 C ATOM 1162 CD ARG A 82 -17.409 0.441 4.682 1.00 0.00 C ATOM 1163 NE ARG A 82 -18.685 -0.043 5.254 1.00 0.00 N ATOM 1164 CZ ARG A 82 -19.620 0.754 5.787 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -19.427 2.080 5.826 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -20.748 0.227 6.282 1.00 0.00 N ATOM 0 H ARG A 82 -13.527 -0.336 1.822 1.00 0.00 H new ATOM 0 HA ARG A 82 -13.791 -1.753 4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.690 0.472 4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.600 0.093 2.681 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.968 -1.562 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.096 -1.085 5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.963 1.183 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -17.593 0.934 3.727 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.864 -1.047 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.568 2.482 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.139 2.687 6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.895 -0.782 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.460 0.835 6.688 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.631 -2.653 1.685 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.448 -3.723 1.139 1.00 0.00 C ATOM 1182 C HIS A 83 -15.551 -4.749 0.443 1.00 0.00 C ATOM 1183 O HIS A 83 -15.950 -5.356 -0.550 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.533 -3.162 0.217 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.685 -2.516 0.948 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -19.284 -1.345 0.517 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -19.342 -2.889 2.083 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -20.256 -1.036 1.363 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -20.290 -1.994 2.333 1.00 0.00 N ATOM 0 H HIS A 83 -15.452 -1.882 1.042 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.969 -4.236 1.947 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.083 -2.428 -0.452 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.918 -3.969 -0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -19.127 -3.764 2.678 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -20.907 -0.177 1.296 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -20.937 -2.019 3.121 1.00 0.00 H new ATOM 1197 N GLY A 84 -14.355 -4.910 0.990 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.398 -5.851 0.434 1.00 0.00 C ATOM 1199 C GLY A 84 -12.896 -6.820 1.507 1.00 0.00 C ATOM 1200 O GLY A 84 -12.077 -6.451 2.347 1.00 0.00 O ATOM 0 H GLY A 84 -14.027 -4.404 1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.862 -6.411 -0.378 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.555 -5.308 0.006 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.408 -8.040 1.443 1.00 0.00 N ATOM 1205 CA GLY A 85 -13.022 -9.065 2.398 1.00 0.00 C ATOM 1206 C GLY A 85 -12.567 -10.339 1.683 1.00 0.00 C ATOM 1207 O GLY A 85 -12.822 -10.510 0.492 1.00 0.00 O ATOM 0 H GLY A 85 -14.087 -8.342 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.217 -8.692 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.863 -9.292 3.053 1.00 0.00 H new ATOM 1211 N LYS A 86 -11.902 -11.199 2.439 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.410 -12.452 1.892 1.00 0.00 C ATOM 1213 C LYS A 86 -10.289 -12.161 0.892 1.00 0.00 C ATOM 1214 O LYS A 86 -9.112 -12.335 1.205 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.562 -13.269 1.304 1.00 0.00 C ATOM 1216 CG LYS A 86 -12.412 -14.753 1.647 1.00 0.00 C ATOM 1217 CD LYS A 86 -13.659 -15.279 2.361 1.00 0.00 C ATOM 1218 CE LYS A 86 -13.638 -16.806 2.449 1.00 0.00 C ATOM 1219 NZ LYS A 86 -14.982 -17.360 2.174 1.00 0.00 N ATOM 0 H LYS A 86 -11.692 -11.053 3.426 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.982 -13.070 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.511 -12.897 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.587 -13.143 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.242 -15.325 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.537 -14.897 2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.715 -14.854 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.552 -14.954 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.920 -17.207 1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -13.307 -17.114 3.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.950 -18.398 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.659 -16.991 2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.284 -17.081 1.218 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.694 -11.723 -0.291 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.739 -11.407 -1.339 1.00 0.00 C ATOM 1235 C LYS A 87 -9.735 -9.896 -1.581 1.00 0.00 C ATOM 1236 O LYS A 87 -10.761 -9.318 -1.936 1.00 0.00 O ATOM 1237 CB LYS A 87 -10.030 -12.229 -2.596 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.868 -13.173 -2.915 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.978 -13.716 -4.341 1.00 0.00 C ATOM 1240 CE LYS A 87 -9.341 -15.202 -4.335 1.00 0.00 C ATOM 1241 NZ LYS A 87 -10.741 -15.392 -3.895 1.00 0.00 N ATOM 0 H LYS A 87 -11.671 -11.580 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.731 -11.684 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.944 -12.806 -2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.203 -11.561 -3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.922 -12.645 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.862 -14.001 -2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.734 -13.155 -4.890 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.032 -13.571 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.208 -15.619 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.668 -15.744 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.971 -16.406 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.857 -15.012 -2.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.380 -14.891 -4.545 1.00 0.00 H new ATOM 1255 N MET A 88 -8.569 -9.300 -1.378 1.00 0.00 N ATOM 1256 CA MET A 88 -8.418 -7.867 -1.569 1.00 0.00 C ATOM 1257 C MET A 88 -7.262 -7.560 -2.523 1.00 0.00 C ATOM 1258 O MET A 88 -6.117 -7.919 -2.252 1.00 0.00 O ATOM 1259 CB MET A 88 -8.159 -7.196 -0.219 1.00 0.00 C ATOM 1260 CG MET A 88 -9.436 -7.146 0.622 1.00 0.00 C ATOM 1261 SD MET A 88 -9.869 -5.450 0.973 1.00 0.00 S ATOM 1262 CE MET A 88 -9.898 -4.788 -0.684 1.00 0.00 C ATOM 0 H MET A 88 -7.720 -9.783 -1.083 1.00 0.00 H new ATOM 0 HA MET A 88 -9.338 -7.479 -2.006 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.385 -7.742 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.784 -6.185 -0.377 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.251 -7.636 0.090 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.290 -7.693 1.553 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.074 -4.086 -0.810 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.795 -5.601 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.843 -4.272 -0.853 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.601 -6.899 -3.620 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.605 -6.539 -4.615 1.00 0.00 C ATOM 1274 C ARG A 89 -6.289 -5.044 -4.534 1.00 0.00 C ATOM 1275 O ARG A 89 -7.174 -4.233 -4.268 1.00 0.00 O ATOM 1276 CB ARG A 89 -7.091 -6.875 -6.026 1.00 0.00 C ATOM 1277 CG ARG A 89 -6.773 -8.328 -6.384 1.00 0.00 C ATOM 1278 CD ARG A 89 -7.523 -8.758 -7.646 1.00 0.00 C ATOM 1279 NE ARG A 89 -8.939 -9.043 -7.321 1.00 0.00 N ATOM 1280 CZ ARG A 89 -9.938 -8.995 -8.212 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -9.684 -8.673 -9.488 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -11.192 -9.269 -7.828 1.00 0.00 N ATOM 0 H ARG A 89 -8.552 -6.603 -3.842 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.704 -7.116 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.166 -6.707 -6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.618 -6.207 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.700 -8.442 -6.538 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.047 -8.979 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.465 -7.972 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.054 -9.644 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.168 -9.291 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.730 -8.464 -9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.445 -8.637 -10.166 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.386 -9.514 -6.857 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.953 -9.232 -8.507 1.00 0.00 H new ATOM 1296 N PHE A 90 -5.024 -4.726 -4.768 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.581 -3.343 -4.724 1.00 0.00 C ATOM 1298 C PHE A 90 -3.537 -3.068 -5.809 1.00 0.00 C ATOM 1299 O PHE A 90 -2.620 -3.863 -6.009 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.943 -3.120 -3.352 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.830 -3.541 -2.178 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.988 -2.873 -1.926 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.462 -4.584 -1.387 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.811 -3.264 -0.837 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.285 -4.975 -0.298 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.442 -4.306 -0.046 1.00 0.00 C ATOM 0 H PHE A 90 -4.293 -5.402 -4.988 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.427 -2.676 -4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.006 -3.675 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.694 -2.064 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.281 -2.045 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.543 -5.115 -1.587 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.730 -2.733 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.992 -5.803 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.068 -4.603 0.783 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.711 -1.939 -6.480 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.796 -1.549 -7.539 1.00 0.00 C ATOM 1318 C LEU A 91 -1.906 -0.407 -7.043 1.00 0.00 C ATOM 1319 O LEU A 91 -2.279 0.761 -7.137 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.566 -1.216 -8.818 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.717 -0.946 -10.062 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.568 -1.950 -10.170 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.583 -0.926 -11.323 1.00 0.00 C ATOM 0 H LEU A 91 -4.472 -1.282 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.138 -2.379 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.242 -2.042 -9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.185 -0.339 -8.628 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.271 0.043 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.980 -1.736 -11.063 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.931 -1.871 -9.289 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.972 -2.960 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.955 -0.732 -12.193 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.077 -1.890 -11.440 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.334 -0.141 -11.236 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.746 -0.786 -6.526 1.00 0.00 N ATOM 1336 CA VAL A 92 0.200 0.192 -6.015 1.00 0.00 C ATOM 1337 C VAL A 92 1.341 0.364 -7.019 1.00 0.00 C ATOM 1338 O VAL A 92 1.936 -0.617 -7.462 1.00 0.00 O ATOM 1339 CB VAL A 92 0.685 -0.226 -4.625 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.478 -1.725 -4.400 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.149 0.164 -4.415 1.00 0.00 C ATOM 0 H VAL A 92 -0.440 -1.756 -6.450 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.280 1.164 -5.899 1.00 0.00 H new ATOM 0 HB VAL A 92 0.087 0.309 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.831 -1.996 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.582 -1.963 -4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.038 -2.286 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.468 -0.144 -3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.768 -0.330 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.255 1.245 -4.512 1.00 0.00 H new ATOM 1351 N ALA A 93 1.612 1.618 -7.349 1.00 0.00 N ATOM 1352 CA ALA A 93 2.672 1.931 -8.293 1.00 0.00 C ATOM 1353 C ALA A 93 4.012 1.965 -7.556 1.00 0.00 C ATOM 1354 O ALA A 93 4.069 2.324 -6.381 1.00 0.00 O ATOM 1355 CB ALA A 93 2.357 3.255 -8.993 1.00 0.00 C ATOM 0 H ALA A 93 1.116 2.429 -6.980 1.00 0.00 H new ATOM 0 HA ALA A 93 2.740 1.163 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.152 3.490 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.410 3.169 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.285 4.050 -8.251 1.00 0.00 H new ATOM 1361 N LYS A 94 5.057 1.587 -8.277 1.00 0.00 N ATOM 1362 CA LYS A 94 6.393 1.570 -7.706 1.00 0.00 C ATOM 1363 C LYS A 94 6.954 2.993 -7.690 1.00 0.00 C ATOM 1364 O LYS A 94 7.428 3.489 -8.711 1.00 0.00 O ATOM 1365 CB LYS A 94 7.280 0.568 -8.448 1.00 0.00 C ATOM 1366 CG LYS A 94 8.205 -0.169 -7.478 1.00 0.00 C ATOM 1367 CD LYS A 94 9.270 0.773 -6.913 1.00 0.00 C ATOM 1368 CE LYS A 94 10.198 1.277 -8.020 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.605 0.936 -7.712 1.00 0.00 N ATOM 0 H LYS A 94 5.006 1.290 -9.251 1.00 0.00 H new ATOM 0 HA LYS A 94 6.361 1.228 -6.672 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.657 -0.151 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.875 1.089 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.619 -0.592 -6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.686 -1.002 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.789 1.620 -6.423 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.853 0.254 -6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.911 0.834 -8.973 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.094 2.357 -8.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.221 1.285 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.881 1.379 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.703 -0.096 -7.634 1.00 0.00 H new ATOM 1383 N SER A 95 6.883 3.609 -6.519 1.00 0.00 N ATOM 1384 CA SER A 95 7.378 4.966 -6.356 1.00 0.00 C ATOM 1385 C SER A 95 8.778 4.941 -5.740 1.00 0.00 C ATOM 1386 O SER A 95 9.229 3.904 -5.257 1.00 0.00 O ATOM 1387 CB SER A 95 6.431 5.797 -5.488 1.00 0.00 C ATOM 1388 OG SER A 95 5.903 6.916 -6.195 1.00 0.00 O ATOM 0 H SER A 95 6.490 3.194 -5.674 1.00 0.00 H new ATOM 0 HA SER A 95 7.429 5.432 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.611 5.168 -5.141 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.963 6.145 -4.603 1.00 0.00 H new ATOM 0 HG SER A 95 6.178 7.744 -5.749 1.00 0.00 H new ATOM 1394 N ASP A 96 9.427 6.096 -5.778 1.00 0.00 N ATOM 1395 CA ASP A 96 10.766 6.220 -5.230 1.00 0.00 C ATOM 1396 C ASP A 96 10.674 6.515 -3.731 1.00 0.00 C ATOM 1397 O ASP A 96 9.579 6.617 -3.181 1.00 0.00 O ATOM 1398 CB ASP A 96 11.528 7.369 -5.892 1.00 0.00 C ATOM 1399 CG ASP A 96 10.752 8.683 -5.999 1.00 0.00 C ATOM 1400 OD1 ASP A 96 9.786 8.836 -5.221 1.00 0.00 O ATOM 1401 OD2 ASP A 96 11.142 9.505 -6.856 1.00 0.00 O ATOM 0 H ASP A 96 9.050 6.954 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 96 11.294 5.284 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.443 7.550 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.826 7.058 -6.893 1.00 0.00 H new ATOM 1406 N VAL A 97 11.839 6.643 -3.113 1.00 0.00 N ATOM 1407 CA VAL A 97 11.904 6.925 -1.689 1.00 0.00 C ATOM 1408 C VAL A 97 11.381 8.339 -1.429 1.00 0.00 C ATOM 1409 O VAL A 97 10.671 8.572 -0.452 1.00 0.00 O ATOM 1410 CB VAL A 97 13.330 6.710 -1.178 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.532 7.384 0.181 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.669 5.220 -1.107 1.00 0.00 C ATOM 0 H VAL A 97 12.746 6.557 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 97 11.267 6.237 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 97 14.014 7.175 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.554 7.216 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.352 8.455 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.834 6.962 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.688 5.096 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.976 4.721 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.584 4.780 -2.101 1.00 0.00 H new ATOM 1422 N GLU A 98 11.754 9.246 -2.320 1.00 0.00 N ATOM 1423 CA GLU A 98 11.332 10.631 -2.199 1.00 0.00 C ATOM 1424 C GLU A 98 9.839 10.705 -1.870 1.00 0.00 C ATOM 1425 O GLU A 98 9.425 11.494 -1.022 1.00 0.00 O ATOM 1426 CB GLU A 98 11.651 11.415 -3.473 1.00 0.00 C ATOM 1427 CG GLU A 98 13.144 11.344 -3.801 1.00 0.00 C ATOM 1428 CD GLU A 98 13.755 12.744 -3.883 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.337 13.594 -3.067 1.00 0.00 O ATOM 1430 OE2 GLU A 98 14.626 12.933 -4.759 1.00 0.00 O ATOM 0 H GLU A 98 12.344 9.049 -3.129 1.00 0.00 H new ATOM 0 HA GLU A 98 11.888 11.089 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.073 11.014 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.351 12.456 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.660 10.762 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.287 10.825 -4.749 1.00 0.00 H new ATOM 1437 N THR A 99 9.073 9.871 -2.557 1.00 0.00 N ATOM 1438 CA THR A 99 7.635 9.832 -2.349 1.00 0.00 C ATOM 1439 C THR A 99 7.317 9.515 -0.886 1.00 0.00 C ATOM 1440 O THR A 99 6.451 10.148 -0.284 1.00 0.00 O ATOM 1441 CB THR A 99 7.042 8.821 -3.332 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.993 9.527 -4.569 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.578 8.498 -3.029 1.00 0.00 C ATOM 0 H THR A 99 9.421 9.217 -3.258 1.00 0.00 H new ATOM 0 HA THR A 99 7.180 10.803 -2.546 1.00 0.00 H new ATOM 0 HB THR A 99 7.629 7.903 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 99 7.849 9.428 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.207 7.776 -3.756 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.498 8.077 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.984 9.410 -3.088 1.00 0.00 H new ATOM 1451 N ALA A 100 8.035 8.535 -0.357 1.00 0.00 N ATOM 1452 CA ALA A 100 7.840 8.126 1.024 1.00 0.00 C ATOM 1453 C ALA A 100 8.275 9.261 1.953 1.00 0.00 C ATOM 1454 O ALA A 100 7.595 9.561 2.934 1.00 0.00 O ATOM 1455 CB ALA A 100 8.609 6.830 1.286 1.00 0.00 C ATOM 0 H ALA A 100 8.752 8.012 -0.860 1.00 0.00 H new ATOM 0 HA ALA A 100 6.787 7.925 1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.463 6.523 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.242 6.048 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.671 6.994 1.103 1.00 0.00 H new ATOM 1461 N LYS A 101 9.406 9.861 1.613 1.00 0.00 N ATOM 1462 CA LYS A 101 9.941 10.955 2.404 1.00 0.00 C ATOM 1463 C LYS A 101 8.826 11.964 2.691 1.00 0.00 C ATOM 1464 O LYS A 101 8.667 12.414 3.824 1.00 0.00 O ATOM 1465 CB LYS A 101 11.162 11.568 1.716 1.00 0.00 C ATOM 1466 CG LYS A 101 12.443 10.830 2.112 1.00 0.00 C ATOM 1467 CD LYS A 101 13.677 11.522 1.530 1.00 0.00 C ATOM 1468 CE LYS A 101 14.851 10.547 1.421 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.792 10.741 2.548 1.00 0.00 N ATOM 0 H LYS A 101 9.967 9.610 0.799 1.00 0.00 H new ATOM 0 HA LYS A 101 10.297 10.589 3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.034 11.526 0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.246 12.621 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.523 10.790 3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.398 9.800 1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.442 11.925 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.957 12.365 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.481 9.522 1.421 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.371 10.699 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.583 10.072 2.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.158 11.714 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.296 10.574 3.447 1.00 0.00 H new ATOM 1483 N LYS A 102 8.083 12.289 1.643 1.00 0.00 N ATOM 1484 CA LYS A 102 6.988 13.236 1.768 1.00 0.00 C ATOM 1485 C LYS A 102 5.894 12.631 2.650 1.00 0.00 C ATOM 1486 O LYS A 102 5.208 13.349 3.375 1.00 0.00 O ATOM 1487 CB LYS A 102 6.494 13.669 0.386 1.00 0.00 C ATOM 1488 CG LYS A 102 7.462 14.665 -0.255 1.00 0.00 C ATOM 1489 CD LYS A 102 7.882 14.201 -1.651 1.00 0.00 C ATOM 1490 CE LYS A 102 9.366 14.480 -1.898 1.00 0.00 C ATOM 1491 NZ LYS A 102 9.592 14.879 -3.305 1.00 0.00 N ATOM 0 H LYS A 102 8.218 11.914 0.704 1.00 0.00 H new ATOM 0 HA LYS A 102 7.327 14.147 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.388 12.795 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.506 14.122 0.474 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.990 15.645 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.344 14.777 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.686 13.134 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.282 14.712 -2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.709 15.270 -1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.952 13.591 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.604 15.064 -3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.283 14.113 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.048 15.740 -3.513 1.00 0.00 H new ATOM 1505 N ILE A 103 5.765 11.315 2.559 1.00 0.00 N ATOM 1506 CA ILE A 103 4.767 10.605 3.340 1.00 0.00 C ATOM 1507 C ILE A 103 5.166 10.633 4.817 1.00 0.00 C ATOM 1508 O ILE A 103 4.306 10.688 5.695 1.00 0.00 O ATOM 1509 CB ILE A 103 4.557 9.194 2.786 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.965 9.241 1.376 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.706 8.352 3.738 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.436 9.235 1.423 1.00 0.00 C ATOM 0 H ILE A 103 6.335 10.722 1.956 1.00 0.00 H new ATOM 0 HA ILE A 103 3.799 11.100 3.262 1.00 0.00 H new ATOM 0 HB ILE A 103 5.530 8.708 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.313 10.137 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.318 8.385 0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.572 7.354 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.206 8.277 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.732 8.824 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.041 9.269 0.408 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.091 8.327 1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.086 10.105 1.978 1.00 0.00 H new ATOM 1524 N HIS A 104 6.470 10.594 5.045 1.00 0.00 N ATOM 1525 CA HIS A 104 6.993 10.615 6.400 1.00 0.00 C ATOM 1526 C HIS A 104 7.080 12.060 6.895 1.00 0.00 C ATOM 1527 O HIS A 104 6.898 12.998 6.120 1.00 0.00 O ATOM 1528 CB HIS A 104 8.333 9.881 6.477 1.00 0.00 C ATOM 1529 CG HIS A 104 8.265 8.549 7.186 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.391 7.865 7.608 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.193 7.784 7.543 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.004 6.740 8.190 1.00 0.00 C ATOM 1533 NE2 HIS A 104 7.642 6.691 8.149 1.00 0.00 N ATOM 0 H HIS A 104 7.180 10.548 4.314 1.00 0.00 H new ATOM 0 HA HIS A 104 6.313 10.081 7.063 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.708 9.724 5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.055 10.517 6.989 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.156 8.026 7.363 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.653 5.993 8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.063 5.939 8.522 1.00 0.00 H new