USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 1.52 K(o=3.1,f=-1.2) USER MOD Set 1.2: A 58 THR OG1 : rot 116:sc= 0.931 USER MOD Set 1.3: A 68 THR OG1 : rot -149:sc= 0.688 USER MOD Set 2.1: A 25 THR OG1 : rot 86:sc= 1.93 USER MOD Set 2.2: A 31 TYR OH : rot -153:sc= 0.569 USER MOD Single : A 7 THR OG1 : rot -43:sc= 1.22 USER MOD Single : A 9 TYR OH : rot 87:sc= 0.26 USER MOD Single : A 10 THR OG1 : rot 153:sc= -1.4 USER MOD Single : A 11 THR OG1 : rot 160:sc= -0.515 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.657) USER MOD Single : A 22 THR OG1 : rot -79:sc= 0.738 USER MOD Single : A 27 ASN : amide:sc= 1.22 K(o=1.2,f=-0.063) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.561 K(o=-0.56,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.0075 K(o=0.0075,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00182) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -104:sc= -0.74 USER MOD Single : A 69 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -179:sc= 1.16 (180deg=1.09) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 1.12 (180deg=0.841) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.87) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.269 4.101 6.054 1.00 0.00 N ATOM 61 CA ALA A 5 6.744 4.658 4.799 1.00 0.00 C ATOM 62 C ALA A 5 5.911 4.111 3.650 1.00 0.00 C ATOM 63 O ALA A 5 6.144 4.426 2.483 1.00 0.00 O ATOM 64 CB ALA A 5 8.217 4.328 4.592 1.00 0.00 C ATOM 0 HA ALA A 5 6.640 5.743 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.556 4.753 3.647 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.802 4.748 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.348 3.246 4.571 1.00 0.00 H new ATOM 70 N LEU A 6 4.946 3.292 3.995 1.00 0.00 N ATOM 71 CA LEU A 6 4.104 2.668 3.034 1.00 0.00 C ATOM 72 C LEU A 6 2.701 2.617 3.601 1.00 0.00 C ATOM 73 O LEU A 6 2.466 1.957 4.610 1.00 0.00 O ATOM 74 CB LEU A 6 4.585 1.246 2.786 1.00 0.00 C ATOM 75 CG LEU A 6 4.124 0.624 1.502 1.00 0.00 C ATOM 76 CD1 LEU A 6 4.821 1.287 0.348 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.370 -0.862 1.497 1.00 0.00 C ATOM 0 H LEU A 6 4.731 3.046 4.961 1.00 0.00 H new ATOM 0 HA LEU A 6 4.123 3.226 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.675 1.242 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.253 0.619 3.613 1.00 0.00 H new ATOM 0 HG LEU A 6 3.049 0.774 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.487 0.836 -0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.584 2.351 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.898 1.156 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.025 -1.285 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.437 -1.055 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.826 -1.324 2.321 1.00 0.00 H new ATOM 89 N THR A 7 1.800 3.309 2.999 1.00 0.00 N ATOM 90 CA THR A 7 0.444 3.319 3.462 1.00 0.00 C ATOM 91 C THR A 7 -0.440 2.513 2.511 1.00 0.00 C ATOM 92 O THR A 7 -0.414 2.721 1.301 1.00 0.00 O ATOM 93 CB THR A 7 -0.053 4.763 3.590 1.00 0.00 C ATOM 94 OG1 THR A 7 0.862 5.476 4.422 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.424 4.809 4.228 1.00 0.00 C ATOM 0 H THR A 7 1.973 3.884 2.175 1.00 0.00 H new ATOM 0 HA THR A 7 0.394 2.853 4.446 1.00 0.00 H new ATOM 0 HB THR A 7 -0.117 5.208 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.102 4.922 5.194 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.754 5.845 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.130 4.249 3.614 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.377 4.366 5.223 1.00 0.00 H new ATOM 103 N ILE A 8 -1.183 1.586 3.051 1.00 0.00 N ATOM 104 CA ILE A 8 -2.027 0.720 2.269 1.00 0.00 C ATOM 105 C ILE A 8 -3.478 0.900 2.664 1.00 0.00 C ATOM 106 O ILE A 8 -3.808 1.003 3.840 1.00 0.00 O ATOM 107 CB ILE A 8 -1.608 -0.773 2.427 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.198 -0.976 1.875 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.605 -1.723 1.742 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.321 -2.378 2.008 1.00 0.00 C ATOM 0 H ILE A 8 -1.221 1.408 4.055 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.908 0.995 1.221 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.615 -1.016 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.189 -0.696 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.483 -0.299 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.276 -2.754 1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.592 -1.597 2.186 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.654 -1.493 0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.327 -2.435 1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.348 -2.658 3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.334 -3.061 1.468 1.00 0.00 H new ATOM 122 N TYR A 9 -4.317 0.977 1.690 1.00 0.00 N ATOM 123 CA TYR A 9 -5.722 1.097 1.905 1.00 0.00 C ATOM 124 C TYR A 9 -6.351 -0.302 2.023 1.00 0.00 C ATOM 125 O TYR A 9 -6.107 -1.164 1.181 1.00 0.00 O ATOM 126 CB TYR A 9 -6.326 1.940 0.777 1.00 0.00 C ATOM 127 CG TYR A 9 -5.887 3.403 0.831 1.00 0.00 C ATOM 128 CD1 TYR A 9 -4.738 3.839 0.184 1.00 0.00 C ATOM 129 CD2 TYR A 9 -6.622 4.337 1.545 1.00 0.00 C ATOM 130 CE1 TYR A 9 -4.338 5.160 0.247 1.00 0.00 C ATOM 131 CE2 TYR A 9 -6.231 5.659 1.614 1.00 0.00 C ATOM 132 CZ TYR A 9 -5.089 6.065 0.964 1.00 0.00 C ATOM 133 OH TYR A 9 -4.691 7.376 1.038 1.00 0.00 O ATOM 0 H TYR A 9 -4.045 0.958 0.707 1.00 0.00 H new ATOM 0 HA TYR A 9 -5.933 1.610 2.843 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.037 1.514 -0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.413 1.889 0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.146 3.132 -0.379 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.519 4.024 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.442 5.481 -0.263 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.819 6.371 2.175 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.046 7.869 0.269 1.00 0.00 H new ATOM 143 N THR A 10 -7.112 -0.531 3.099 1.00 0.00 N ATOM 144 CA THR A 10 -7.699 -1.841 3.386 1.00 0.00 C ATOM 145 C THR A 10 -9.183 -1.738 3.793 1.00 0.00 C ATOM 146 O THR A 10 -9.613 -0.729 4.333 1.00 0.00 O ATOM 147 CB THR A 10 -6.930 -2.508 4.543 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.776 -1.557 5.615 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.566 -3.007 4.090 1.00 0.00 C ATOM 0 H THR A 10 -7.336 0.184 3.791 1.00 0.00 H new ATOM 0 HA THR A 10 -7.630 -2.431 2.472 1.00 0.00 H new ATOM 0 HB THR A 10 -7.499 -3.371 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.701 -2.034 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.051 -3.472 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.693 -3.739 3.293 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.976 -2.168 3.722 1.00 0.00 H new ATOM 157 N THR A 11 -9.944 -2.791 3.519 1.00 0.00 N ATOM 158 CA THR A 11 -11.345 -2.890 3.915 1.00 0.00 C ATOM 159 C THR A 11 -11.628 -4.299 4.373 1.00 0.00 C ATOM 160 O THR A 11 -10.873 -5.227 4.041 1.00 0.00 O ATOM 161 CB THR A 11 -12.320 -2.567 2.760 1.00 0.00 C ATOM 162 OG1 THR A 11 -11.897 -3.217 1.560 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.485 -1.079 2.534 1.00 0.00 C ATOM 0 H THR A 11 -9.604 -3.608 3.011 1.00 0.00 H new ATOM 0 HA THR A 11 -11.502 -2.160 4.709 1.00 0.00 H new ATOM 0 HB THR A 11 -13.299 -2.949 3.050 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.652 -3.281 0.939 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.180 -0.911 1.712 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.875 -0.614 3.440 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.519 -0.639 2.288 1.00 0.00 H new ATOM 171 N SER A 12 -12.724 -4.476 5.066 1.00 0.00 N ATOM 172 CA SER A 12 -13.130 -5.769 5.570 1.00 0.00 C ATOM 173 C SER A 12 -13.749 -6.622 4.433 1.00 0.00 C ATOM 174 O SER A 12 -14.025 -7.815 4.604 1.00 0.00 O ATOM 175 CB SER A 12 -14.167 -5.534 6.666 1.00 0.00 C ATOM 176 OG SER A 12 -13.750 -4.474 7.528 1.00 0.00 O ATOM 0 H SER A 12 -13.368 -3.721 5.300 1.00 0.00 H new ATOM 0 HA SER A 12 -12.268 -6.307 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.130 -5.289 6.218 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.308 -6.447 7.244 1.00 0.00 H new ATOM 0 HG SER A 12 -14.425 -4.334 8.224 1.00 0.00 H new ATOM 182 N TRP A 13 -13.962 -6.004 3.275 1.00 0.00 N ATOM 183 CA TRP A 13 -14.605 -6.688 2.151 1.00 0.00 C ATOM 184 C TRP A 13 -13.564 -7.369 1.287 1.00 0.00 C ATOM 185 O TRP A 13 -13.829 -8.359 0.609 1.00 0.00 O ATOM 186 CB TRP A 13 -15.314 -5.687 1.230 1.00 0.00 C ATOM 187 CG TRP A 13 -16.051 -4.587 1.905 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.827 -4.663 3.016 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.104 -3.232 1.467 1.00 0.00 C ATOM 190 NE1 TRP A 13 -17.331 -3.434 3.316 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.910 -2.535 2.371 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.531 -2.536 0.393 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -17.168 -1.176 2.239 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.791 -1.189 0.264 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.601 -0.523 1.184 1.00 0.00 C ATOM 0 H TRP A 13 -13.701 -5.036 3.088 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.311 -7.400 2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.571 -5.245 0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.016 -6.236 0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -17.017 -5.565 3.579 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.926 -3.217 4.116 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -14.899 -3.046 -0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.795 -0.655 2.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.361 -0.641 -0.561 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.783 0.534 1.058 1.00 0.00 H new ATOM 206 N CYS A 14 -12.385 -6.841 1.333 1.00 0.00 N ATOM 207 CA CYS A 14 -11.357 -7.199 0.405 1.00 0.00 C ATOM 208 C CYS A 14 -10.477 -8.338 0.906 1.00 0.00 C ATOM 209 O CYS A 14 -9.819 -8.221 1.942 1.00 0.00 O ATOM 210 CB CYS A 14 -10.535 -5.956 0.129 1.00 0.00 C ATOM 211 SG CYS A 14 -9.173 -6.181 -1.028 1.00 0.00 S ATOM 0 H CYS A 14 -12.103 -6.143 2.021 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.818 -7.571 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.196 -5.181 -0.259 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.132 -5.589 1.073 1.00 0.00 H new ATOM 216 N GLY A 15 -10.478 -9.442 0.179 1.00 0.00 N ATOM 217 CA GLY A 15 -9.626 -10.557 0.516 1.00 0.00 C ATOM 218 C GLY A 15 -8.304 -10.468 -0.213 1.00 0.00 C ATOM 219 O GLY A 15 -7.265 -10.855 0.316 1.00 0.00 O ATOM 0 H GLY A 15 -11.060 -9.585 -0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.452 -10.574 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.125 -11.491 0.259 1.00 0.00 H new ATOM 223 N TYR A 16 -8.329 -9.916 -1.421 1.00 0.00 N ATOM 224 CA TYR A 16 -7.119 -9.778 -2.222 1.00 0.00 C ATOM 225 C TYR A 16 -6.147 -8.752 -1.629 1.00 0.00 C ATOM 226 O TYR A 16 -4.958 -8.763 -1.925 1.00 0.00 O ATOM 227 CB TYR A 16 -7.413 -9.547 -3.732 1.00 0.00 C ATOM 228 CG TYR A 16 -8.118 -8.254 -4.141 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.460 -8.033 -3.860 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.440 -7.278 -4.852 1.00 0.00 C ATOM 231 CE1 TYR A 16 -10.096 -6.870 -4.267 1.00 0.00 C ATOM 232 CE2 TYR A 16 -8.065 -6.130 -5.265 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.389 -5.923 -4.971 1.00 0.00 C ATOM 234 OH TYR A 16 -10.006 -4.757 -5.385 1.00 0.00 O ATOM 0 H TYR A 16 -9.173 -9.557 -1.867 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.607 -10.739 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.464 -9.592 -4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.018 -10.382 -4.085 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.018 -8.780 -3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.396 -7.425 -5.086 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.138 -6.709 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.514 -5.387 -5.823 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.361 -4.199 -5.868 1.00 0.00 H new ATOM 244 N CYS A 17 -6.658 -7.902 -0.757 1.00 0.00 N ATOM 245 CA CYS A 17 -5.839 -6.956 -0.020 1.00 0.00 C ATOM 246 C CYS A 17 -4.964 -7.719 0.978 1.00 0.00 C ATOM 247 O CYS A 17 -3.778 -7.432 1.150 1.00 0.00 O ATOM 248 CB CYS A 17 -6.721 -5.970 0.747 1.00 0.00 C ATOM 249 SG CYS A 17 -7.763 -4.931 -0.309 1.00 0.00 S ATOM 0 H CYS A 17 -7.653 -7.848 -0.539 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.217 -6.404 -0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.359 -6.528 1.432 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.085 -5.328 1.355 1.00 0.00 H new ATOM 254 N LEU A 18 -5.557 -8.755 1.578 1.00 0.00 N ATOM 255 CA LEU A 18 -4.903 -9.576 2.585 1.00 0.00 C ATOM 256 C LEU A 18 -3.778 -10.386 1.941 1.00 0.00 C ATOM 257 O LEU A 18 -2.752 -10.675 2.578 1.00 0.00 O ATOM 258 CB LEU A 18 -5.964 -10.462 3.291 1.00 0.00 C ATOM 259 CG LEU A 18 -5.515 -11.330 4.485 1.00 0.00 C ATOM 260 CD1 LEU A 18 -6.714 -11.650 5.345 1.00 0.00 C ATOM 261 CD2 LEU A 18 -4.898 -12.640 4.016 1.00 0.00 C ATOM 0 H LEU A 18 -6.513 -9.045 1.372 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.441 -8.953 3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.765 -9.809 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.395 -11.125 2.541 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.768 -10.770 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.402 -12.263 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.156 -10.724 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.451 -12.194 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.592 -13.228 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.631 -13.201 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.028 -12.430 3.394 1.00 0.00 H new ATOM 273 N ARG A 19 -3.963 -10.709 0.668 1.00 0.00 N ATOM 274 CA ARG A 19 -2.966 -11.419 -0.120 1.00 0.00 C ATOM 275 C ARG A 19 -1.691 -10.585 -0.212 1.00 0.00 C ATOM 276 O ARG A 19 -0.581 -11.100 -0.081 1.00 0.00 O ATOM 277 CB ARG A 19 -3.505 -11.671 -1.520 1.00 0.00 C ATOM 278 CG ARG A 19 -2.555 -12.420 -2.440 1.00 0.00 C ATOM 279 CD ARG A 19 -3.102 -12.463 -3.848 1.00 0.00 C ATOM 280 NE ARG A 19 -4.437 -13.066 -3.889 1.00 0.00 N ATOM 281 CZ ARG A 19 -5.456 -12.627 -4.636 1.00 0.00 C ATOM 282 NH1 ARG A 19 -5.287 -11.599 -5.460 1.00 0.00 N ATOM 283 NH2 ARG A 19 -6.645 -13.223 -4.553 1.00 0.00 N ATOM 0 H ARG A 19 -4.813 -10.485 0.151 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.743 -12.371 0.362 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.434 -12.236 -1.441 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.753 -10.713 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.579 -11.934 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.407 -13.435 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.146 -11.452 -4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.425 -13.032 -4.485 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.602 -13.884 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.378 -11.141 -5.525 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.067 -11.267 -6.028 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.777 -14.012 -3.921 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.423 -12.890 -5.122 1.00 0.00 H new ATOM 297 N LEU A 20 -1.865 -9.298 -0.407 1.00 0.00 N ATOM 298 CA LEU A 20 -0.739 -8.400 -0.522 1.00 0.00 C ATOM 299 C LEU A 20 -0.123 -8.174 0.860 1.00 0.00 C ATOM 300 O LEU A 20 1.096 -8.145 1.002 1.00 0.00 O ATOM 301 CB LEU A 20 -1.170 -7.069 -1.158 1.00 0.00 C ATOM 302 CG LEU A 20 -0.103 -5.959 -1.324 1.00 0.00 C ATOM 303 CD1 LEU A 20 0.851 -6.198 -2.508 1.00 0.00 C ATOM 304 CD2 LEU A 20 -0.767 -4.597 -1.418 1.00 0.00 C ATOM 0 H LEU A 20 -2.777 -8.849 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 20 0.012 -8.848 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.579 -7.288 -2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.984 -6.662 -0.559 1.00 0.00 H new ATOM 0 HG LEU A 20 0.522 -5.990 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.572 -5.382 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.380 -7.140 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.278 -6.241 -3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.004 -3.827 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.436 -4.577 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.338 -4.407 -0.509 1.00 0.00 H new ATOM 316 N LYS A 21 -0.983 -8.045 1.871 1.00 0.00 N ATOM 317 CA LYS A 21 -0.545 -7.840 3.253 1.00 0.00 C ATOM 318 C LYS A 21 0.392 -8.941 3.727 1.00 0.00 C ATOM 319 O LYS A 21 1.494 -8.661 4.220 1.00 0.00 O ATOM 320 CB LYS A 21 -1.731 -7.742 4.206 1.00 0.00 C ATOM 321 CG LYS A 21 -2.567 -6.481 4.058 1.00 0.00 C ATOM 322 CD LYS A 21 -3.663 -6.402 5.122 1.00 0.00 C ATOM 323 CE LYS A 21 -3.084 -6.475 6.538 1.00 0.00 C ATOM 324 NZ LYS A 21 -4.104 -6.275 7.577 1.00 0.00 N ATOM 0 H LYS A 21 -1.996 -8.079 1.757 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.000 -6.896 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.375 -8.608 4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.362 -7.798 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.922 -5.606 4.134 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.020 -6.458 3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.219 -5.472 5.004 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.371 -7.217 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.609 -7.445 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.306 -5.720 6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.715 -6.548 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.383 -5.273 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.936 -6.861 7.364 1.00 0.00 H new ATOM 338 N THR A 22 -0.028 -10.179 3.557 1.00 0.00 N ATOM 339 CA THR A 22 0.757 -11.326 3.972 1.00 0.00 C ATOM 340 C THR A 22 2.093 -11.365 3.235 1.00 0.00 C ATOM 341 O THR A 22 3.152 -11.573 3.844 1.00 0.00 O ATOM 342 CB THR A 22 -0.036 -12.628 3.750 1.00 0.00 C ATOM 343 OG1 THR A 22 -0.674 -12.582 2.459 1.00 0.00 O ATOM 344 CG2 THR A 22 -1.091 -12.804 4.829 1.00 0.00 C ATOM 0 H THR A 22 -0.922 -10.419 3.128 1.00 0.00 H new ATOM 0 HA THR A 22 0.968 -11.233 5.037 1.00 0.00 H new ATOM 0 HB THR A 22 0.653 -13.471 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.487 -12.037 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.640 -13.729 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.609 -12.847 5.806 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.782 -11.962 4.803 1.00 0.00 H new ATOM 352 N ALA A 23 2.036 -11.083 1.942 1.00 0.00 N ATOM 353 CA ALA A 23 3.205 -11.033 1.087 1.00 0.00 C ATOM 354 C ALA A 23 4.193 -9.993 1.578 1.00 0.00 C ATOM 355 O ALA A 23 5.372 -10.289 1.759 1.00 0.00 O ATOM 356 CB ALA A 23 2.786 -10.736 -0.343 1.00 0.00 C ATOM 0 H ALA A 23 1.164 -10.880 1.454 1.00 0.00 H new ATOM 0 HA ALA A 23 3.699 -12.004 1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.669 -10.700 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.116 -11.520 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.272 -9.775 -0.380 1.00 0.00 H new ATOM 362 N LEU A 24 3.710 -8.798 1.837 1.00 0.00 N ATOM 363 CA LEU A 24 4.569 -7.718 2.277 1.00 0.00 C ATOM 364 C LEU A 24 5.129 -7.985 3.670 1.00 0.00 C ATOM 365 O LEU A 24 6.293 -7.699 3.939 1.00 0.00 O ATOM 366 CB LEU A 24 3.843 -6.370 2.225 1.00 0.00 C ATOM 367 CG LEU A 24 3.286 -5.947 0.859 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.745 -4.545 0.928 1.00 0.00 C ATOM 369 CD2 LEU A 24 4.328 -6.053 -0.235 1.00 0.00 C ATOM 0 H LEU A 24 2.725 -8.548 1.751 1.00 0.00 H new ATOM 0 HA LEU A 24 5.410 -7.669 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.018 -6.399 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.532 -5.598 2.567 1.00 0.00 H new ATOM 0 HG LEU A 24 2.477 -6.633 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.353 -4.258 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.946 -4.499 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.544 -3.861 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.891 -5.744 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.173 -5.407 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.671 -7.085 -0.312 1.00 0.00 H new ATOM 381 N THR A 25 4.329 -8.583 4.530 1.00 0.00 N ATOM 382 CA THR A 25 4.774 -8.889 5.877 1.00 0.00 C ATOM 383 C THR A 25 5.891 -9.965 5.842 1.00 0.00 C ATOM 384 O THR A 25 6.923 -9.839 6.511 1.00 0.00 O ATOM 385 CB THR A 25 3.598 -9.367 6.768 1.00 0.00 C ATOM 386 OG1 THR A 25 2.501 -8.425 6.690 1.00 0.00 O ATOM 387 CG2 THR A 25 4.044 -9.476 8.218 1.00 0.00 C ATOM 0 H THR A 25 3.371 -8.866 4.323 1.00 0.00 H new ATOM 0 HA THR A 25 5.173 -7.973 6.313 1.00 0.00 H new ATOM 0 HB THR A 25 3.274 -10.344 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.940 -8.639 5.915 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.208 -9.812 8.831 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.862 -10.193 8.294 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.382 -8.501 8.569 1.00 0.00 H new ATOM 395 N ALA A 26 5.716 -10.974 4.996 1.00 0.00 N ATOM 396 CA ALA A 26 6.690 -12.060 4.869 1.00 0.00 C ATOM 397 C ALA A 26 7.947 -11.617 4.094 1.00 0.00 C ATOM 398 O ALA A 26 8.934 -12.353 4.002 1.00 0.00 O ATOM 399 CB ALA A 26 6.046 -13.265 4.208 1.00 0.00 C ATOM 0 H ALA A 26 4.905 -11.065 4.384 1.00 0.00 H new ATOM 0 HA ALA A 26 7.013 -12.337 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.779 -14.066 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.207 -13.607 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.689 -12.988 3.216 1.00 0.00 H new ATOM 405 N ASN A 27 7.896 -10.421 3.545 1.00 0.00 N ATOM 406 CA ASN A 27 9.014 -9.835 2.797 1.00 0.00 C ATOM 407 C ASN A 27 9.670 -8.718 3.591 1.00 0.00 C ATOM 408 O ASN A 27 10.558 -8.014 3.081 1.00 0.00 O ATOM 409 CB ASN A 27 8.542 -9.306 1.430 1.00 0.00 C ATOM 410 CG ASN A 27 8.542 -10.357 0.336 1.00 0.00 C ATOM 411 OD1 ASN A 27 9.537 -10.529 -0.367 1.00 0.00 O ATOM 412 ND2 ASN A 27 7.448 -11.050 0.170 1.00 0.00 N ATOM 0 H ASN A 27 7.077 -9.816 3.600 1.00 0.00 H new ATOM 0 HA ASN A 27 9.751 -10.621 2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.535 -8.903 1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.186 -8.480 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.400 -11.760 -0.561 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.641 -10.881 0.771 1.00 0.00 H new ATOM 419 N ARG A 28 9.239 -8.599 4.846 1.00 0.00 N ATOM 420 CA ARG A 28 9.668 -7.563 5.797 1.00 0.00 C ATOM 421 C ARG A 28 9.407 -6.154 5.272 1.00 0.00 C ATOM 422 O ARG A 28 10.331 -5.387 4.952 1.00 0.00 O ATOM 423 CB ARG A 28 11.115 -7.707 6.316 1.00 0.00 C ATOM 424 CG ARG A 28 11.408 -6.706 7.439 1.00 0.00 C ATOM 425 CD ARG A 28 12.853 -6.683 7.874 1.00 0.00 C ATOM 426 NE ARG A 28 13.054 -5.650 8.908 1.00 0.00 N ATOM 427 CZ ARG A 28 14.206 -5.026 9.181 1.00 0.00 C ATOM 428 NH1 ARG A 28 15.306 -5.331 8.516 1.00 0.00 N ATOM 429 NH2 ARG A 28 14.247 -4.086 10.121 1.00 0.00 N ATOM 0 H ARG A 28 8.557 -9.242 5.247 1.00 0.00 H new ATOM 0 HA ARG A 28 9.036 -7.730 6.669 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.273 -8.722 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.815 -7.551 5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.123 -5.708 7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.783 -6.946 8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.139 -7.660 8.264 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.496 -6.481 7.017 1.00 0.00 H new ATOM 0 HE ARG A 28 12.241 -5.388 9.465 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.281 -6.046 7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.181 -4.851 8.729 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.400 -3.841 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.125 -3.611 10.329 1.00 0.00 H new ATOM 443 N ILE A 29 8.170 -5.866 5.075 1.00 0.00 N ATOM 444 CA ILE A 29 7.752 -4.568 4.664 1.00 0.00 C ATOM 445 C ILE A 29 6.789 -4.022 5.691 1.00 0.00 C ATOM 446 O ILE A 29 5.737 -4.634 5.966 1.00 0.00 O ATOM 447 CB ILE A 29 7.094 -4.603 3.270 1.00 0.00 C ATOM 448 CG1 ILE A 29 8.112 -5.094 2.225 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.543 -3.230 2.905 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.565 -5.225 0.830 1.00 0.00 C ATOM 0 H ILE A 29 7.407 -6.532 5.196 1.00 0.00 H new ATOM 0 HA ILE A 29 8.625 -3.920 4.591 1.00 0.00 H new ATOM 0 HB ILE A 29 6.256 -5.300 3.287 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.956 -4.404 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.499 -6.062 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.082 -3.273 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.797 -2.930 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.355 -2.503 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.352 -5.576 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.741 -5.939 0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.205 -4.255 0.488 1.00 0.00 H new ATOM 462 N ALA A 30 7.164 -2.945 6.313 1.00 0.00 N ATOM 463 CA ALA A 30 6.334 -2.313 7.290 1.00 0.00 C ATOM 464 C ALA A 30 5.409 -1.332 6.607 1.00 0.00 C ATOM 465 O ALA A 30 5.862 -0.413 5.910 1.00 0.00 O ATOM 466 CB ALA A 30 7.182 -1.630 8.338 1.00 0.00 C ATOM 0 H ALA A 30 8.058 -2.479 6.156 1.00 0.00 H new ATOM 0 HA ALA A 30 5.729 -3.066 7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.536 -1.153 9.075 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.814 -2.368 8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.809 -0.875 7.863 1.00 0.00 H new ATOM 472 N TYR A 31 4.140 -1.530 6.783 1.00 0.00 N ATOM 473 CA TYR A 31 3.137 -0.707 6.151 1.00 0.00 C ATOM 474 C TYR A 31 2.068 -0.341 7.153 1.00 0.00 C ATOM 475 O TYR A 31 1.888 -1.051 8.162 1.00 0.00 O ATOM 476 CB TYR A 31 2.512 -1.459 4.947 1.00 0.00 C ATOM 477 CG TYR A 31 1.924 -2.823 5.292 1.00 0.00 C ATOM 478 CD1 TYR A 31 0.638 -2.947 5.807 1.00 0.00 C ATOM 479 CD2 TYR A 31 2.668 -3.981 5.120 1.00 0.00 C ATOM 480 CE1 TYR A 31 0.122 -4.177 6.145 1.00 0.00 C ATOM 481 CE2 TYR A 31 2.153 -5.216 5.449 1.00 0.00 C ATOM 482 CZ TYR A 31 0.884 -5.308 5.965 1.00 0.00 C ATOM 483 OH TYR A 31 0.380 -6.537 6.317 1.00 0.00 O ATOM 0 H TYR A 31 3.760 -2.271 7.372 1.00 0.00 H new ATOM 0 HA TYR A 31 3.605 0.207 5.785 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.728 -0.838 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.275 -1.590 4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.034 -2.062 5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.669 -3.913 4.721 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.876 -4.254 6.550 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.745 -6.107 5.302 1.00 0.00 H new ATOM 0 HH TYR A 31 1.118 -7.143 6.536 1.00 0.00 H new ATOM 493 N ASP A 32 1.383 0.744 6.907 1.00 0.00 N ATOM 494 CA ASP A 32 0.279 1.136 7.746 1.00 0.00 C ATOM 495 C ASP A 32 -0.983 1.100 6.920 1.00 0.00 C ATOM 496 O ASP A 32 -0.994 1.545 5.773 1.00 0.00 O ATOM 497 CB ASP A 32 0.480 2.531 8.414 1.00 0.00 C ATOM 498 CG ASP A 32 0.329 3.748 7.500 1.00 0.00 C ATOM 499 OD1 ASP A 32 1.284 4.102 6.767 1.00 0.00 O ATOM 500 OD2 ASP A 32 -0.734 4.408 7.550 1.00 0.00 O ATOM 0 H ASP A 32 1.570 1.376 6.129 1.00 0.00 H new ATOM 0 HA ASP A 32 0.210 0.430 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.236 2.626 9.231 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.475 2.558 8.858 1.00 0.00 H new ATOM 505 N GLU A 33 -2.006 0.502 7.457 1.00 0.00 N ATOM 506 CA GLU A 33 -3.271 0.399 6.768 1.00 0.00 C ATOM 507 C GLU A 33 -4.209 1.516 7.209 1.00 0.00 C ATOM 508 O GLU A 33 -4.107 2.021 8.347 1.00 0.00 O ATOM 509 CB GLU A 33 -3.896 -0.978 6.952 1.00 0.00 C ATOM 510 CG GLU A 33 -4.025 -1.426 8.384 1.00 0.00 C ATOM 511 CD GLU A 33 -4.751 -2.731 8.498 1.00 0.00 C ATOM 512 OE1 GLU A 33 -4.135 -3.781 8.275 1.00 0.00 O ATOM 513 OE2 GLU A 33 -5.954 -2.727 8.851 1.00 0.00 O ATOM 0 H GLU A 33 -1.993 0.071 8.382 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.091 0.519 5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.886 -0.976 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.297 -1.709 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.033 -1.523 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.555 -0.665 8.956 1.00 0.00 H new ATOM 520 N VAL A 34 -5.095 1.918 6.327 1.00 0.00 N ATOM 521 CA VAL A 34 -5.951 3.066 6.581 1.00 0.00 C ATOM 522 C VAL A 34 -7.321 2.675 7.164 1.00 0.00 C ATOM 523 O VAL A 34 -7.914 1.657 6.805 1.00 0.00 O ATOM 524 CB VAL A 34 -6.137 3.943 5.301 1.00 0.00 C ATOM 525 CG1 VAL A 34 -6.827 5.271 5.609 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.802 4.192 4.635 1.00 0.00 C ATOM 0 H VAL A 34 -5.246 1.469 5.424 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.435 3.658 7.336 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.783 3.388 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.935 5.847 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.812 5.079 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.227 5.836 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.948 4.804 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.141 4.712 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.354 3.240 4.351 1.00 0.00 H new ATOM 536 N ASP A 35 -7.799 3.551 8.031 1.00 0.00 N ATOM 537 CA ASP A 35 -9.074 3.494 8.791 1.00 0.00 C ATOM 538 C ASP A 35 -10.353 3.503 7.891 1.00 0.00 C ATOM 539 O ASP A 35 -11.475 3.480 8.404 1.00 0.00 O ATOM 540 CB ASP A 35 -9.096 4.666 9.802 1.00 0.00 C ATOM 541 CG ASP A 35 -10.241 4.634 10.805 1.00 0.00 C ATOM 542 OD1 ASP A 35 -10.234 3.775 11.708 1.00 0.00 O ATOM 543 OD2 ASP A 35 -11.111 5.515 10.770 1.00 0.00 O ATOM 0 H ASP A 35 -7.275 4.398 8.253 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.105 2.536 9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.154 4.670 10.350 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.146 5.603 9.247 1.00 0.00 H new ATOM 548 N ILE A 36 -10.175 3.591 6.555 1.00 0.00 N ATOM 549 CA ILE A 36 -11.288 3.744 5.549 1.00 0.00 C ATOM 550 C ILE A 36 -12.498 2.830 5.752 1.00 0.00 C ATOM 551 O ILE A 36 -13.568 3.120 5.214 1.00 0.00 O ATOM 552 CB ILE A 36 -10.853 3.591 4.074 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.339 2.196 3.792 1.00 0.00 C ATOM 554 CG2 ILE A 36 -9.816 4.619 3.700 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.304 1.868 2.324 1.00 0.00 C ATOM 0 H ILE A 36 -9.251 3.559 6.124 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.583 4.774 5.749 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.737 3.758 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.336 2.094 4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.971 1.471 4.306 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.531 4.485 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.228 5.619 3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.938 4.498 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.927 0.855 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.310 1.940 1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.650 2.572 1.809 1.00 0.00 H new ATOM 567 N GLU A 37 -12.328 1.728 6.472 1.00 0.00 N ATOM 568 CA GLU A 37 -13.426 0.828 6.777 1.00 0.00 C ATOM 569 C GLU A 37 -14.569 1.578 7.488 1.00 0.00 C ATOM 570 O GLU A 37 -15.740 1.215 7.364 1.00 0.00 O ATOM 571 CB GLU A 37 -12.940 -0.362 7.604 1.00 0.00 C ATOM 572 CG GLU A 37 -12.302 -0.005 8.938 1.00 0.00 C ATOM 573 CD GLU A 37 -11.926 -1.226 9.742 1.00 0.00 C ATOM 574 OE1 GLU A 37 -10.807 -1.749 9.571 1.00 0.00 O ATOM 575 OE2 GLU A 37 -12.741 -1.679 10.572 1.00 0.00 O ATOM 0 H GLU A 37 -11.430 1.437 6.858 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.820 0.439 5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.785 -1.025 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.217 -0.924 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.412 0.599 8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.994 0.608 9.516 1.00 0.00 H new ATOM 582 N HIS A 38 -14.223 2.626 8.219 1.00 0.00 N ATOM 583 CA HIS A 38 -15.225 3.474 8.817 1.00 0.00 C ATOM 584 C HIS A 38 -14.961 4.952 8.455 1.00 0.00 C ATOM 585 O HIS A 38 -15.866 5.787 8.484 1.00 0.00 O ATOM 586 CB HIS A 38 -15.311 3.264 10.348 1.00 0.00 C ATOM 587 CG HIS A 38 -16.498 3.953 10.978 1.00 0.00 C ATOM 588 ND1 HIS A 38 -17.753 3.392 11.069 1.00 0.00 N ATOM 589 CD2 HIS A 38 -16.612 5.196 11.510 1.00 0.00 C ATOM 590 CE1 HIS A 38 -18.567 4.284 11.625 1.00 0.00 C ATOM 591 NE2 HIS A 38 -17.925 5.402 11.915 1.00 0.00 N ATOM 0 H HIS A 38 -13.260 2.903 8.408 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.196 3.194 8.409 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -15.365 2.196 10.559 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.396 3.635 10.811 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.809 5.912 11.604 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -19.617 4.117 11.815 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -18.313 6.241 12.346 1.00 0.00 H new ATOM 599 N ASN A 39 -13.726 5.285 8.130 1.00 0.00 N ATOM 600 CA ASN A 39 -13.405 6.661 7.744 1.00 0.00 C ATOM 601 C ASN A 39 -13.622 6.838 6.243 1.00 0.00 C ATOM 602 O ASN A 39 -12.695 6.652 5.435 1.00 0.00 O ATOM 603 CB ASN A 39 -11.963 7.034 8.154 1.00 0.00 C ATOM 604 CG ASN A 39 -11.588 8.494 7.898 1.00 0.00 C ATOM 605 OD1 ASN A 39 -11.814 9.361 8.735 1.00 0.00 O ATOM 606 ND2 ASN A 39 -10.958 8.762 6.785 1.00 0.00 N ATOM 0 H ASN A 39 -12.936 4.640 8.123 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.073 7.340 8.274 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.834 6.820 9.215 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.268 6.393 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.641 9.712 6.595 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.784 8.021 6.106 1.00 0.00 H new ATOM 613 N ARG A 40 -14.856 7.169 5.867 1.00 0.00 N ATOM 614 CA ARG A 40 -15.246 7.268 4.460 1.00 0.00 C ATOM 615 C ARG A 40 -14.562 8.417 3.741 1.00 0.00 C ATOM 616 O ARG A 40 -14.409 8.373 2.533 1.00 0.00 O ATOM 617 CB ARG A 40 -16.758 7.398 4.270 1.00 0.00 C ATOM 618 CG ARG A 40 -17.347 8.743 4.683 1.00 0.00 C ATOM 619 CD ARG A 40 -18.779 8.863 4.213 1.00 0.00 C ATOM 620 NE ARG A 40 -18.876 8.621 2.760 1.00 0.00 N ATOM 621 CZ ARG A 40 -19.941 8.140 2.115 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.106 8.015 2.738 1.00 0.00 N ATOM 623 NH2 ARG A 40 -19.837 7.823 0.829 1.00 0.00 N ATOM 0 H ARG A 40 -15.609 7.375 6.523 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.916 6.328 4.018 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.993 7.222 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.250 6.612 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.304 8.847 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.751 9.552 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.403 8.147 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.161 9.857 4.447 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.054 8.841 2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.193 8.287 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.915 7.647 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.949 7.948 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -20.645 7.455 0.328 1.00 0.00 H new ATOM 637 N ALA A 41 -14.134 9.427 4.482 1.00 0.00 N ATOM 638 CA ALA A 41 -13.490 10.594 3.884 1.00 0.00 C ATOM 639 C ALA A 41 -12.225 10.190 3.118 1.00 0.00 C ATOM 640 O ALA A 41 -11.911 10.733 2.064 1.00 0.00 O ATOM 641 CB ALA A 41 -13.202 11.636 4.949 1.00 0.00 C ATOM 0 H ALA A 41 -14.219 9.466 5.498 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.171 11.040 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.722 12.501 4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.136 11.945 5.418 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.540 11.211 5.704 1.00 0.00 H new ATOM 647 N ALA A 42 -11.536 9.196 3.629 1.00 0.00 N ATOM 648 CA ALA A 42 -10.355 8.678 2.962 1.00 0.00 C ATOM 649 C ALA A 42 -10.759 7.603 1.948 1.00 0.00 C ATOM 650 O ALA A 42 -10.032 7.307 1.011 1.00 0.00 O ATOM 651 CB ALA A 42 -9.357 8.137 3.971 1.00 0.00 C ATOM 0 H ALA A 42 -11.770 8.727 4.504 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.867 9.492 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.481 7.755 3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.055 8.936 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.818 7.332 4.543 1.00 0.00 H new ATOM 657 N ALA A 43 -11.943 7.041 2.138 1.00 0.00 N ATOM 658 CA ALA A 43 -12.462 6.004 1.259 1.00 0.00 C ATOM 659 C ALA A 43 -12.909 6.603 -0.073 1.00 0.00 C ATOM 660 O ALA A 43 -12.775 5.971 -1.128 1.00 0.00 O ATOM 661 CB ALA A 43 -13.595 5.250 1.926 1.00 0.00 C ATOM 0 H ALA A 43 -12.570 7.290 2.903 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.661 5.292 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.967 4.480 1.250 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.232 4.784 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.402 5.943 2.166 1.00 0.00 H new ATOM 667 N GLU A 44 -13.437 7.825 -0.024 1.00 0.00 N ATOM 668 CA GLU A 44 -13.777 8.559 -1.239 1.00 0.00 C ATOM 669 C GLU A 44 -12.524 8.873 -2.040 1.00 0.00 C ATOM 670 O GLU A 44 -12.557 8.895 -3.266 1.00 0.00 O ATOM 671 CB GLU A 44 -14.547 9.846 -0.949 1.00 0.00 C ATOM 672 CG GLU A 44 -16.066 9.733 -1.034 1.00 0.00 C ATOM 673 CD GLU A 44 -16.673 8.775 -0.057 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.929 9.172 1.085 1.00 0.00 O ATOM 675 OE2 GLU A 44 -16.957 7.624 -0.432 1.00 0.00 O ATOM 0 H GLU A 44 -13.638 8.325 0.842 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.431 7.913 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.281 10.191 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.217 10.613 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.501 10.720 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.339 9.425 -2.043 1.00 0.00 H new ATOM 682 N PHE A 45 -11.412 9.093 -1.335 1.00 0.00 N ATOM 683 CA PHE A 45 -10.120 9.331 -1.974 1.00 0.00 C ATOM 684 C PHE A 45 -9.713 8.093 -2.767 1.00 0.00 C ATOM 685 O PHE A 45 -9.256 8.195 -3.903 1.00 0.00 O ATOM 686 CB PHE A 45 -9.044 9.674 -0.924 1.00 0.00 C ATOM 687 CG PHE A 45 -7.662 9.881 -1.495 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.327 11.068 -2.129 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.703 8.878 -1.405 1.00 0.00 C ATOM 690 CE1 PHE A 45 -6.063 11.251 -2.661 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.439 9.057 -1.937 1.00 0.00 C ATOM 692 CZ PHE A 45 -5.119 10.245 -2.564 1.00 0.00 C ATOM 0 H PHE A 45 -11.383 9.111 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.211 10.181 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.345 10.578 -0.395 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -9.003 8.872 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.060 11.857 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.948 7.948 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.813 12.180 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.704 8.269 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.132 10.388 -2.978 1.00 0.00 H new ATOM 702 N VAL A 46 -9.931 6.929 -2.159 1.00 0.00 N ATOM 703 CA VAL A 46 -9.657 5.630 -2.780 1.00 0.00 C ATOM 704 C VAL A 46 -10.424 5.506 -4.087 1.00 0.00 C ATOM 705 O VAL A 46 -9.877 5.082 -5.114 1.00 0.00 O ATOM 706 CB VAL A 46 -10.069 4.469 -1.835 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.873 3.115 -2.490 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.288 4.534 -0.550 1.00 0.00 C ATOM 0 H VAL A 46 -10.306 6.858 -1.213 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.586 5.566 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.131 4.587 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.172 2.329 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.483 3.055 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.823 2.986 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.589 3.713 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.223 4.453 -0.767 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.486 5.483 -0.052 1.00 0.00 H new ATOM 718 N GLY A 47 -11.679 5.890 -4.039 1.00 0.00 N ATOM 719 CA GLY A 47 -12.505 5.858 -5.208 1.00 0.00 C ATOM 720 C GLY A 47 -12.035 6.854 -6.235 1.00 0.00 C ATOM 721 O GLY A 47 -11.744 6.493 -7.365 1.00 0.00 O ATOM 0 H GLY A 47 -12.145 6.228 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.493 4.856 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.537 6.075 -4.933 1.00 0.00 H new ATOM 725 N SER A 48 -11.881 8.086 -5.806 1.00 0.00 N ATOM 726 CA SER A 48 -11.519 9.193 -6.668 1.00 0.00 C ATOM 727 C SER A 48 -10.172 8.982 -7.374 1.00 0.00 C ATOM 728 O SER A 48 -10.042 9.299 -8.551 1.00 0.00 O ATOM 729 CB SER A 48 -11.514 10.500 -5.865 1.00 0.00 C ATOM 730 OG SER A 48 -11.381 11.636 -6.708 1.00 0.00 O ATOM 0 H SER A 48 -12.006 8.354 -4.830 1.00 0.00 H new ATOM 0 HA SER A 48 -12.272 9.252 -7.454 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.438 10.578 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.694 10.482 -5.147 1.00 0.00 H new ATOM 0 HG SER A 48 -11.383 12.450 -6.163 1.00 0.00 H new ATOM 736 N VAL A 49 -9.188 8.422 -6.685 1.00 0.00 N ATOM 737 CA VAL A 49 -7.871 8.238 -7.288 1.00 0.00 C ATOM 738 C VAL A 49 -7.898 7.150 -8.391 1.00 0.00 C ATOM 739 O VAL A 49 -7.094 7.168 -9.322 1.00 0.00 O ATOM 740 CB VAL A 49 -6.756 7.966 -6.222 1.00 0.00 C ATOM 741 CG1 VAL A 49 -6.908 6.614 -5.533 1.00 0.00 C ATOM 742 CG2 VAL A 49 -5.367 8.137 -6.818 1.00 0.00 C ATOM 0 H VAL A 49 -9.271 8.091 -5.724 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.610 9.181 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.883 8.719 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.106 6.484 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.871 6.572 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.856 5.819 -6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.616 7.941 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.236 7.436 -7.642 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.252 9.156 -7.187 1.00 0.00 H new ATOM 752 N ASN A 50 -8.852 6.243 -8.303 1.00 0.00 N ATOM 753 CA ASN A 50 -9.010 5.208 -9.325 1.00 0.00 C ATOM 754 C ASN A 50 -10.013 5.650 -10.377 1.00 0.00 C ATOM 755 O ASN A 50 -9.954 5.223 -11.537 1.00 0.00 O ATOM 756 CB ASN A 50 -9.421 3.851 -8.720 1.00 0.00 C ATOM 757 CG ASN A 50 -8.305 3.189 -7.920 1.00 0.00 C ATOM 758 OD1 ASN A 50 -7.475 2.472 -8.478 1.00 0.00 O ATOM 759 ND2 ASN A 50 -8.284 3.385 -6.622 1.00 0.00 N ATOM 0 H ASN A 50 -9.529 6.196 -7.542 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.038 5.068 -9.798 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.286 3.996 -8.073 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.731 3.181 -9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.567 2.938 -6.050 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.984 3.984 -6.185 1.00 0.00 H new ATOM 766 N GLY A 51 -10.925 6.491 -9.967 1.00 0.00 N ATOM 767 CA GLY A 51 -11.918 7.049 -10.841 1.00 0.00 C ATOM 768 C GLY A 51 -13.186 7.309 -10.075 1.00 0.00 C ATOM 769 O GLY A 51 -13.614 8.454 -9.905 1.00 0.00 O ATOM 0 H GLY A 51 -10.999 6.811 -9.001 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.550 7.977 -11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.115 6.364 -11.666 1.00 0.00 H new ATOM 773 N GLY A 52 -13.754 6.249 -9.587 1.00 0.00 N ATOM 774 CA GLY A 52 -14.956 6.314 -8.800 1.00 0.00 C ATOM 775 C GLY A 52 -15.106 5.073 -7.972 1.00 0.00 C ATOM 776 O GLY A 52 -15.606 5.113 -6.843 1.00 0.00 O ATOM 0 H GLY A 52 -13.396 5.304 -9.723 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.927 7.190 -8.152 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.821 6.429 -9.454 1.00 0.00 H new ATOM 780 N ASN A 53 -14.664 3.961 -8.524 1.00 0.00 N ATOM 781 CA ASN A 53 -14.725 2.698 -7.823 1.00 0.00 C ATOM 782 C ASN A 53 -13.633 2.613 -6.772 1.00 0.00 C ATOM 783 O ASN A 53 -12.530 3.144 -6.949 1.00 0.00 O ATOM 784 CB ASN A 53 -14.631 1.497 -8.781 1.00 0.00 C ATOM 785 CG ASN A 53 -13.283 1.330 -9.481 1.00 0.00 C ATOM 786 OD1 ASN A 53 -12.578 2.298 -9.783 1.00 0.00 O ATOM 787 ND2 ASN A 53 -12.919 0.101 -9.748 1.00 0.00 N ATOM 0 H ASN A 53 -14.258 3.908 -9.458 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.697 2.654 -7.333 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.847 0.587 -8.221 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.407 1.596 -9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.031 -0.077 -10.218 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.523 -0.678 -9.486 1.00 0.00 H new ATOM 794 N ARG A 54 -13.933 1.959 -5.682 1.00 0.00 N ATOM 795 CA ARG A 54 -12.984 1.822 -4.613 1.00 0.00 C ATOM 796 C ARG A 54 -12.135 0.572 -4.805 1.00 0.00 C ATOM 797 O ARG A 54 -12.508 -0.513 -4.352 1.00 0.00 O ATOM 798 CB ARG A 54 -13.673 1.777 -3.231 1.00 0.00 C ATOM 799 CG ARG A 54 -14.382 3.060 -2.792 1.00 0.00 C ATOM 800 CD ARG A 54 -15.010 2.873 -1.410 1.00 0.00 C ATOM 801 NE ARG A 54 -15.716 4.070 -0.912 1.00 0.00 N ATOM 802 CZ ARG A 54 -16.387 4.131 0.267 1.00 0.00 C ATOM 803 NH1 ARG A 54 -16.427 3.070 1.075 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.985 5.247 0.650 1.00 0.00 N ATOM 0 H ARG A 54 -14.833 1.511 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.342 2.703 -4.641 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.402 0.967 -3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.923 1.525 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.671 3.886 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.152 3.324 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.711 2.039 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.229 2.601 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.699 4.908 -1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.952 2.208 0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.932 3.121 1.959 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.946 6.076 0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.486 5.278 1.538 1.00 0.00 H new ATOM 818 N THR A 55 -11.064 0.690 -5.553 1.00 0.00 N ATOM 819 CA THR A 55 -10.117 -0.395 -5.652 1.00 0.00 C ATOM 820 C THR A 55 -9.283 -0.331 -4.391 1.00 0.00 C ATOM 821 O THR A 55 -8.604 0.673 -4.153 1.00 0.00 O ATOM 822 CB THR A 55 -9.212 -0.250 -6.885 1.00 0.00 C ATOM 823 OG1 THR A 55 -10.032 -0.004 -8.055 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.460 -1.547 -7.099 1.00 0.00 C ATOM 0 H THR A 55 -10.827 1.519 -6.098 1.00 0.00 H new ATOM 0 HA THR A 55 -10.636 -1.347 -5.759 1.00 0.00 H new ATOM 0 HB THR A 55 -8.517 0.575 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.457 0.091 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.815 -1.454 -7.972 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.852 -1.764 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.171 -2.358 -7.258 1.00 0.00 H new ATOM 832 N VAL A 56 -9.343 -1.355 -3.579 1.00 0.00 N ATOM 833 CA VAL A 56 -8.800 -1.229 -2.251 1.00 0.00 C ATOM 834 C VAL A 56 -7.310 -1.276 -2.136 1.00 0.00 C ATOM 835 O VAL A 56 -6.761 -0.291 -1.651 1.00 0.00 O ATOM 836 CB VAL A 56 -9.380 -2.157 -1.207 1.00 0.00 C ATOM 837 CG1 VAL A 56 -9.136 -1.559 0.167 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.827 -2.401 -1.433 1.00 0.00 C ATOM 0 H VAL A 56 -9.751 -2.262 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.128 -0.212 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.885 -3.126 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.550 -2.219 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.064 -1.444 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.619 -0.584 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.207 -3.072 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.367 -1.455 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.971 -2.855 -2.413 1.00 0.00 H new ATOM 848 N PRO A 57 -6.571 -2.394 -2.538 1.00 0.00 N ATOM 849 CA PRO A 57 -5.173 -2.471 -2.235 1.00 0.00 C ATOM 850 C PRO A 57 -4.318 -1.523 -3.098 1.00 0.00 C ATOM 851 O PRO A 57 -3.603 -1.922 -4.038 1.00 0.00 O ATOM 852 CB PRO A 57 -4.801 -3.918 -2.453 1.00 0.00 C ATOM 853 CG PRO A 57 -5.684 -4.302 -3.574 1.00 0.00 C ATOM 854 CD PRO A 57 -6.998 -3.630 -3.262 1.00 0.00 C ATOM 0 HA PRO A 57 -4.978 -2.148 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.747 -4.034 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.983 -4.523 -1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.282 -3.965 -4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.796 -5.384 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.558 -3.396 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.639 -4.260 -2.645 1.00 0.00 H new ATOM 862 N THR A 58 -4.473 -0.317 -2.813 1.00 0.00 N ATOM 863 CA THR A 58 -3.841 0.743 -3.424 1.00 0.00 C ATOM 864 C THR A 58 -2.844 1.263 -2.410 1.00 0.00 C ATOM 865 O THR A 58 -3.213 1.605 -1.280 1.00 0.00 O ATOM 866 CB THR A 58 -4.935 1.776 -3.761 1.00 0.00 C ATOM 867 OG1 THR A 58 -5.937 1.132 -4.584 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.395 2.967 -4.513 1.00 0.00 C ATOM 0 H THR A 58 -5.108 -0.017 -2.073 1.00 0.00 H new ATOM 0 HA THR A 58 -3.316 0.492 -4.346 1.00 0.00 H new ATOM 0 HB THR A 58 -5.351 2.137 -2.820 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.791 1.110 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.207 3.662 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.638 3.466 -3.908 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.949 2.634 -5.450 1.00 0.00 H new ATOM 876 N VAL A 59 -1.598 1.226 -2.763 1.00 0.00 N ATOM 877 CA VAL A 59 -0.563 1.598 -1.851 1.00 0.00 C ATOM 878 C VAL A 59 -0.066 3.011 -2.147 1.00 0.00 C ATOM 879 O VAL A 59 0.050 3.410 -3.300 1.00 0.00 O ATOM 880 CB VAL A 59 0.602 0.569 -1.884 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.227 0.498 -3.240 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.634 0.862 -0.818 1.00 0.00 C ATOM 0 H VAL A 59 -1.271 0.939 -3.685 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.977 1.594 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 59 0.176 -0.410 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.038 -0.230 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.477 0.195 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.622 1.477 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.433 0.122 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.050 1.857 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.165 0.818 0.165 1.00 0.00 H new ATOM 892 N LYS A 60 0.184 3.746 -1.114 1.00 0.00 N ATOM 893 CA LYS A 60 0.664 5.091 -1.196 1.00 0.00 C ATOM 894 C LYS A 60 2.124 5.096 -0.737 1.00 0.00 C ATOM 895 O LYS A 60 2.418 4.806 0.432 1.00 0.00 O ATOM 896 CB LYS A 60 -0.229 5.959 -0.295 1.00 0.00 C ATOM 897 CG LYS A 60 -0.019 7.458 -0.348 1.00 0.00 C ATOM 898 CD LYS A 60 -1.091 8.134 0.504 1.00 0.00 C ATOM 899 CE LYS A 60 -1.026 9.648 0.453 1.00 0.00 C ATOM 900 NZ LYS A 60 0.215 10.185 1.037 1.00 0.00 N ATOM 0 H LYS A 60 0.056 3.418 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 60 0.624 5.491 -2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.268 5.754 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.086 5.634 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.974 7.714 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.076 7.811 -1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.074 7.807 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.984 7.807 1.538 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.106 9.976 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.882 10.062 0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.199 11.224 0.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.291 9.883 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.033 9.828 0.503 1.00 0.00 H new ATOM 914 N PHE A 61 3.023 5.353 -1.671 1.00 0.00 N ATOM 915 CA PHE A 61 4.463 5.350 -1.401 1.00 0.00 C ATOM 916 C PHE A 61 4.936 6.707 -0.945 1.00 0.00 C ATOM 917 O PHE A 61 4.170 7.671 -0.941 1.00 0.00 O ATOM 918 CB PHE A 61 5.269 4.957 -2.656 1.00 0.00 C ATOM 919 CG PHE A 61 5.203 3.514 -3.028 1.00 0.00 C ATOM 920 CD1 PHE A 61 6.118 2.625 -2.507 1.00 0.00 C ATOM 921 CD2 PHE A 61 4.242 3.043 -3.896 1.00 0.00 C ATOM 922 CE1 PHE A 61 6.072 1.292 -2.837 1.00 0.00 C ATOM 923 CE2 PHE A 61 4.194 1.708 -4.230 1.00 0.00 C ATOM 924 CZ PHE A 61 5.109 0.830 -3.698 1.00 0.00 C ATOM 0 H PHE A 61 2.783 5.570 -2.638 1.00 0.00 H new ATOM 0 HA PHE A 61 4.629 4.616 -0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.911 5.549 -3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.313 5.227 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.881 2.981 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.520 3.727 -4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.795 0.607 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.436 1.350 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.070 -0.218 -3.957 1.00 0.00 H new ATOM 934 N ALA A 62 6.228 6.796 -0.627 1.00 0.00 N ATOM 935 CA ALA A 62 6.865 8.052 -0.226 1.00 0.00 C ATOM 936 C ALA A 62 6.908 9.029 -1.403 1.00 0.00 C ATOM 937 O ALA A 62 7.180 10.218 -1.239 1.00 0.00 O ATOM 938 CB ALA A 62 8.263 7.797 0.314 1.00 0.00 C ATOM 0 H ALA A 62 6.864 5.998 -0.640 1.00 0.00 H new ATOM 0 HA ALA A 62 6.271 8.500 0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.718 8.743 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.204 7.140 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.871 7.325 -0.458 1.00 0.00 H new ATOM 944 N ASP A 63 6.613 8.508 -2.595 1.00 0.00 N ATOM 945 CA ASP A 63 6.496 9.312 -3.809 1.00 0.00 C ATOM 946 C ASP A 63 5.318 10.256 -3.692 1.00 0.00 C ATOM 947 O ASP A 63 5.223 11.247 -4.415 1.00 0.00 O ATOM 948 CB ASP A 63 6.163 8.420 -5.011 1.00 0.00 C ATOM 949 CG ASP A 63 7.220 7.456 -5.446 1.00 0.00 C ATOM 950 OD1 ASP A 63 7.285 6.340 -4.905 1.00 0.00 O ATOM 951 OD2 ASP A 63 7.931 7.756 -6.422 1.00 0.00 O ATOM 0 H ASP A 63 6.448 7.513 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 63 7.442 9.838 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.262 7.853 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.922 9.064 -5.856 1.00 0.00 H new ATOM 956 N GLY A 64 4.409 9.934 -2.792 1.00 0.00 N ATOM 957 CA GLY A 64 3.208 10.703 -2.632 1.00 0.00 C ATOM 958 C GLY A 64 2.112 10.203 -3.556 1.00 0.00 C ATOM 959 O GLY A 64 0.941 10.572 -3.411 1.00 0.00 O ATOM 0 H GLY A 64 4.488 9.137 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.870 10.645 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.414 11.753 -2.842 1.00 0.00 H new ATOM 963 N SER A 65 2.486 9.363 -4.492 1.00 0.00 N ATOM 964 CA SER A 65 1.568 8.818 -5.437 1.00 0.00 C ATOM 965 C SER A 65 1.062 7.459 -4.955 1.00 0.00 C ATOM 966 O SER A 65 1.624 6.867 -4.006 1.00 0.00 O ATOM 967 CB SER A 65 2.246 8.714 -6.810 1.00 0.00 C ATOM 968 OG SER A 65 3.441 7.940 -6.740 1.00 0.00 O ATOM 0 H SER A 65 3.447 9.042 -4.612 1.00 0.00 H new ATOM 0 HA SER A 65 0.704 9.476 -5.533 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.558 8.261 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.478 9.713 -7.180 1.00 0.00 H new ATOM 0 HG SER A 65 3.850 7.889 -7.629 1.00 0.00 H new ATOM 974 N THR A 66 0.026 6.980 -5.578 1.00 0.00 N ATOM 975 CA THR A 66 -0.578 5.729 -5.225 1.00 0.00 C ATOM 976 C THR A 66 -0.421 4.702 -6.352 1.00 0.00 C ATOM 977 O THR A 66 -0.489 5.051 -7.532 1.00 0.00 O ATOM 978 CB THR A 66 -2.063 5.968 -4.911 1.00 0.00 C ATOM 979 OG1 THR A 66 -2.573 6.973 -5.810 1.00 0.00 O ATOM 980 CG2 THR A 66 -2.259 6.424 -3.472 1.00 0.00 C ATOM 0 H THR A 66 -0.430 7.454 -6.357 1.00 0.00 H new ATOM 0 HA THR A 66 -0.077 5.324 -4.346 1.00 0.00 H new ATOM 0 HB THR A 66 -2.603 5.030 -5.042 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.665 7.823 -5.332 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.320 6.584 -3.282 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.881 5.660 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.717 7.355 -3.308 1.00 0.00 H new ATOM 988 N LEU A 67 -0.154 3.472 -6.001 1.00 0.00 N ATOM 989 CA LEU A 67 -0.028 2.414 -6.975 1.00 0.00 C ATOM 990 C LEU A 67 -1.088 1.358 -6.684 1.00 0.00 C ATOM 991 O LEU A 67 -1.048 0.683 -5.643 1.00 0.00 O ATOM 992 CB LEU A 67 1.395 1.807 -6.957 1.00 0.00 C ATOM 993 CG LEU A 67 1.733 0.780 -8.062 1.00 0.00 C ATOM 994 CD1 LEU A 67 1.659 1.415 -9.447 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.115 0.173 -7.838 1.00 0.00 C ATOM 0 H LEU A 67 -0.018 3.173 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.184 2.816 -7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.113 2.624 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.546 1.327 -5.990 1.00 0.00 H new ATOM 0 HG LEU A 67 0.989 -0.015 -8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.902 0.668 -10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.651 1.793 -9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.371 2.238 -9.508 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.329 -0.546 -8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.866 0.963 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.138 -0.332 -6.872 1.00 0.00 H new ATOM 1007 N THR A 68 -2.049 1.269 -7.556 1.00 0.00 N ATOM 1008 CA THR A 68 -3.156 0.361 -7.407 1.00 0.00 C ATOM 1009 C THR A 68 -2.781 -1.076 -7.804 1.00 0.00 C ATOM 1010 O THR A 68 -2.374 -1.323 -8.950 1.00 0.00 O ATOM 1011 CB THR A 68 -4.323 0.833 -8.280 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.607 2.213 -8.000 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.551 0.000 -8.005 1.00 0.00 C ATOM 0 H THR A 68 -2.089 1.833 -8.405 1.00 0.00 H new ATOM 0 HA THR A 68 -3.440 0.356 -6.355 1.00 0.00 H new ATOM 0 HB THR A 68 -4.047 0.722 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.562 2.385 -8.140 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.373 0.346 -8.632 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.339 -1.046 -8.229 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.829 0.097 -6.956 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.927 -1.998 -6.843 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.702 -3.451 -7.023 1.00 0.00 C ATOM 1023 C ASN A 69 -1.311 -3.750 -7.601 1.00 0.00 C ATOM 1024 O ASN A 69 -1.159 -3.998 -8.804 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.823 -4.090 -7.886 1.00 0.00 C ATOM 1026 CG ASN A 69 -3.808 -5.624 -7.956 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -2.766 -6.278 -7.863 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -4.967 -6.203 -8.151 1.00 0.00 N ATOM 0 H ASN A 69 -3.211 -1.755 -5.894 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.741 -3.908 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.788 -3.771 -7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.747 -3.696 -8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.023 -7.218 -8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.813 -5.638 -8.224 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.279 -3.650 -6.781 1.00 0.00 N ATOM 1036 CA PRO A 70 1.070 -3.945 -7.197 1.00 0.00 C ATOM 1037 C PRO A 70 1.495 -5.365 -6.798 1.00 0.00 C ATOM 1038 O PRO A 70 0.831 -6.033 -5.992 1.00 0.00 O ATOM 1039 CB PRO A 70 1.857 -2.924 -6.396 1.00 0.00 C ATOM 1040 CG PRO A 70 1.121 -2.828 -5.092 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.319 -3.181 -5.380 1.00 0.00 C ATOM 0 HA PRO A 70 1.210 -3.897 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.888 -3.244 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.892 -1.961 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.547 -3.510 -4.356 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.198 -1.823 -4.677 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.686 -3.956 -4.707 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.976 -2.319 -5.263 1.00 0.00 H new ATOM 1049 N SER A 71 2.564 -5.828 -7.367 1.00 0.00 N ATOM 1050 CA SER A 71 3.119 -7.098 -6.990 1.00 0.00 C ATOM 1051 C SER A 71 4.017 -6.872 -5.761 1.00 0.00 C ATOM 1052 O SER A 71 4.598 -5.792 -5.622 1.00 0.00 O ATOM 1053 CB SER A 71 3.917 -7.647 -8.161 1.00 0.00 C ATOM 1054 OG SER A 71 3.135 -7.593 -9.349 1.00 0.00 O ATOM 0 H SER A 71 3.077 -5.342 -8.103 1.00 0.00 H new ATOM 0 HA SER A 71 2.341 -7.819 -6.738 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.832 -7.069 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.216 -8.676 -7.958 1.00 0.00 H new ATOM 0 HG SER A 71 3.656 -7.947 -10.100 1.00 0.00 H new ATOM 1060 N ALA A 72 4.136 -7.867 -4.896 1.00 0.00 N ATOM 1061 CA ALA A 72 4.893 -7.734 -3.642 1.00 0.00 C ATOM 1062 C ALA A 72 6.360 -7.404 -3.895 1.00 0.00 C ATOM 1063 O ALA A 72 6.948 -6.553 -3.219 1.00 0.00 O ATOM 1064 CB ALA A 72 4.771 -8.999 -2.821 1.00 0.00 C ATOM 0 H ALA A 72 3.717 -8.787 -5.033 1.00 0.00 H new ATOM 0 HA ALA A 72 4.463 -6.902 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.336 -8.888 -1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.722 -9.181 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.167 -9.841 -3.389 1.00 0.00 H new ATOM 1070 N ASP A 73 6.924 -8.058 -4.888 1.00 0.00 N ATOM 1071 CA ASP A 73 8.315 -7.845 -5.285 1.00 0.00 C ATOM 1072 C ASP A 73 8.522 -6.416 -5.784 1.00 0.00 C ATOM 1073 O ASP A 73 9.535 -5.779 -5.491 1.00 0.00 O ATOM 1074 CB ASP A 73 8.710 -8.858 -6.361 1.00 0.00 C ATOM 1075 CG ASP A 73 10.093 -8.632 -6.917 1.00 0.00 C ATOM 1076 OD1 ASP A 73 11.084 -8.986 -6.256 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.209 -8.107 -8.037 1.00 0.00 O ATOM 0 H ASP A 73 6.436 -8.756 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 73 8.955 -7.991 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.655 -9.863 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.987 -8.812 -7.175 1.00 0.00 H new ATOM 1082 N GLU A 74 7.523 -5.910 -6.492 1.00 0.00 N ATOM 1083 CA GLU A 74 7.530 -4.546 -7.009 1.00 0.00 C ATOM 1084 C GLU A 74 7.517 -3.553 -5.868 1.00 0.00 C ATOM 1085 O GLU A 74 8.249 -2.561 -5.879 1.00 0.00 O ATOM 1086 CB GLU A 74 6.315 -4.319 -7.897 1.00 0.00 C ATOM 1087 CG GLU A 74 6.343 -5.105 -9.184 1.00 0.00 C ATOM 1088 CD GLU A 74 7.443 -4.652 -10.086 1.00 0.00 C ATOM 1089 OE1 GLU A 74 7.280 -3.606 -10.752 1.00 0.00 O ATOM 1090 OE2 GLU A 74 8.475 -5.321 -10.158 1.00 0.00 O ATOM 0 H GLU A 74 6.680 -6.435 -6.726 1.00 0.00 H new ATOM 0 HA GLU A 74 8.437 -4.401 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.416 -4.584 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.243 -3.257 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.469 -6.164 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.386 -4.999 -9.696 1.00 0.00 H new ATOM 1097 N VAL A 75 6.690 -3.836 -4.872 1.00 0.00 N ATOM 1098 CA VAL A 75 6.586 -2.993 -3.703 1.00 0.00 C ATOM 1099 C VAL A 75 7.918 -2.958 -2.969 1.00 0.00 C ATOM 1100 O VAL A 75 8.381 -1.903 -2.584 1.00 0.00 O ATOM 1101 CB VAL A 75 5.478 -3.477 -2.732 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.389 -2.576 -1.511 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.141 -3.526 -3.434 1.00 0.00 C ATOM 0 H VAL A 75 6.078 -4.652 -4.856 1.00 0.00 H new ATOM 0 HA VAL A 75 6.319 -1.994 -4.046 1.00 0.00 H new ATOM 0 HB VAL A 75 5.742 -4.481 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.604 -2.939 -0.847 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.343 -2.583 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.156 -1.559 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.376 -3.868 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.883 -2.531 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.198 -4.215 -4.277 1.00 0.00 H new ATOM 1113 N LYS A 76 8.546 -4.122 -2.820 1.00 0.00 N ATOM 1114 CA LYS A 76 9.820 -4.221 -2.125 1.00 0.00 C ATOM 1115 C LYS A 76 10.898 -3.416 -2.860 1.00 0.00 C ATOM 1116 O LYS A 76 11.602 -2.615 -2.251 1.00 0.00 O ATOM 1117 CB LYS A 76 10.251 -5.696 -1.968 1.00 0.00 C ATOM 1118 CG LYS A 76 11.482 -5.917 -1.075 1.00 0.00 C ATOM 1119 CD LYS A 76 11.218 -5.435 0.349 1.00 0.00 C ATOM 1120 CE LYS A 76 12.395 -5.676 1.287 1.00 0.00 C ATOM 1121 NZ LYS A 76 12.672 -7.104 1.501 1.00 0.00 N ATOM 0 H LYS A 76 8.190 -5.010 -3.173 1.00 0.00 H new ATOM 0 HA LYS A 76 9.696 -3.799 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.415 -6.262 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.458 -6.106 -2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.741 -6.976 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.337 -5.384 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.988 -4.370 0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.338 -5.944 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.284 -5.196 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.191 -5.203 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.470 -7.208 2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.830 -7.565 1.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.912 -7.551 0.593 1.00 0.00 H new ATOM 1135 N ALA A 77 10.973 -3.590 -4.170 1.00 0.00 N ATOM 1136 CA ALA A 77 11.975 -2.914 -4.987 1.00 0.00 C ATOM 1137 C ALA A 77 11.739 -1.401 -5.048 1.00 0.00 C ATOM 1138 O ALA A 77 12.680 -0.620 -5.216 1.00 0.00 O ATOM 1139 CB ALA A 77 12.015 -3.507 -6.384 1.00 0.00 C ATOM 0 H ALA A 77 10.347 -4.199 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 77 12.943 -3.072 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.768 -2.989 -6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.266 -4.566 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.039 -3.392 -6.856 1.00 0.00 H new ATOM 1145 N LYS A 78 10.508 -0.978 -4.932 1.00 0.00 N ATOM 1146 CA LYS A 78 10.226 0.442 -4.920 1.00 0.00 C ATOM 1147 C LYS A 78 10.457 0.973 -3.501 1.00 0.00 C ATOM 1148 O LYS A 78 10.985 2.062 -3.330 1.00 0.00 O ATOM 1149 CB LYS A 78 8.785 0.734 -5.389 1.00 0.00 C ATOM 1150 CG LYS A 78 8.643 1.904 -6.376 1.00 0.00 C ATOM 1151 CD LYS A 78 9.266 3.189 -5.850 1.00 0.00 C ATOM 1152 CE LYS A 78 9.187 4.320 -6.865 1.00 0.00 C ATOM 1153 NZ LYS A 78 7.813 4.809 -7.057 1.00 0.00 N ATOM 0 H LYS A 78 9.691 -1.583 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 78 10.894 0.948 -5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.383 -0.165 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.170 0.941 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.114 1.636 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.586 2.074 -6.583 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.758 3.489 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.309 3.006 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.820 5.144 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.583 3.975 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.827 5.653 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.240 4.067 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.399 5.053 -6.135 1.00 0.00 H new ATOM 1167 N LEU A 79 10.106 0.172 -2.500 1.00 0.00 N ATOM 1168 CA LEU A 79 10.264 0.553 -1.091 1.00 0.00 C ATOM 1169 C LEU A 79 11.717 0.881 -0.800 1.00 0.00 C ATOM 1170 O LEU A 79 12.031 1.931 -0.263 1.00 0.00 O ATOM 1171 CB LEU A 79 9.844 -0.590 -0.140 1.00 0.00 C ATOM 1172 CG LEU A 79 9.823 -0.263 1.364 1.00 0.00 C ATOM 1173 CD1 LEU A 79 8.611 0.583 1.764 1.00 0.00 C ATOM 1174 CD2 LEU A 79 9.918 -1.526 2.197 1.00 0.00 C ATOM 0 H LEU A 79 9.705 -0.756 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 79 9.625 1.419 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.848 -0.925 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.521 -1.430 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 79 10.704 0.345 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.645 0.785 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.628 1.525 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.695 0.042 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.901 -1.266 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 79 9.073 -2.176 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 79 10.848 -2.045 1.966 1.00 0.00 H new ATOM 1186 N VAL A 80 12.591 -0.019 -1.207 1.00 0.00 N ATOM 1187 CA VAL A 80 14.016 0.100 -0.937 1.00 0.00 C ATOM 1188 C VAL A 80 14.638 1.357 -1.551 1.00 0.00 C ATOM 1189 O VAL A 80 15.514 1.968 -0.954 1.00 0.00 O ATOM 1190 CB VAL A 80 14.794 -1.168 -1.377 1.00 0.00 C ATOM 1191 CG1 VAL A 80 14.294 -2.373 -0.632 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.680 -1.400 -2.860 1.00 0.00 C ATOM 0 H VAL A 80 12.336 -0.854 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 80 14.105 0.197 0.145 1.00 0.00 H new ATOM 0 HB VAL A 80 15.846 -1.008 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.849 -3.255 -0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 80 14.435 -2.223 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 80 13.234 -2.516 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.237 -2.296 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.632 -1.529 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.089 -0.543 -3.395 1.00 0.00 H new ATOM 1202 N LYS A 81 14.162 1.762 -2.716 1.00 0.00 N ATOM 1203 CA LYS A 81 14.719 2.923 -3.370 1.00 0.00 C ATOM 1204 C LYS A 81 14.165 4.213 -2.791 1.00 0.00 C ATOM 1205 O LYS A 81 14.872 5.220 -2.720 1.00 0.00 O ATOM 1206 CB LYS A 81 14.538 2.880 -4.896 1.00 0.00 C ATOM 1207 CG LYS A 81 13.105 2.766 -5.372 1.00 0.00 C ATOM 1208 CD LYS A 81 12.982 2.986 -6.870 1.00 0.00 C ATOM 1209 CE LYS A 81 13.878 2.059 -7.672 1.00 0.00 C ATOM 1210 NZ LYS A 81 13.523 0.627 -7.543 1.00 0.00 N ATOM 0 H LYS A 81 13.400 1.308 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 81 15.791 2.901 -3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.975 3.782 -5.323 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.103 2.035 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.716 1.780 -5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.490 3.497 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.946 2.834 -7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.234 4.020 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.830 2.342 -8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.910 2.198 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.300 0.042 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.363 0.398 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.656 0.434 -8.085 1.00 0.00 H new ATOM 1224 N ILE A 82 12.920 4.187 -2.353 1.00 0.00 N ATOM 1225 CA ILE A 82 12.308 5.386 -1.813 1.00 0.00 C ATOM 1226 C ILE A 82 12.627 5.569 -0.334 1.00 0.00 C ATOM 1227 O ILE A 82 12.389 6.629 0.245 1.00 0.00 O ATOM 1228 CB ILE A 82 10.780 5.520 -2.161 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.889 4.363 -1.616 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.626 5.607 -3.676 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.647 4.348 -0.115 1.00 0.00 C ATOM 0 H ILE A 82 12.320 3.362 -2.360 1.00 0.00 H new ATOM 0 HA ILE A 82 12.770 6.230 -2.325 1.00 0.00 H new ATOM 0 HB ILE A 82 10.429 6.425 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.923 4.410 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.349 3.416 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.570 5.700 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.167 6.478 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.031 4.705 -4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.015 3.499 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.600 4.262 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.152 5.272 0.183 1.00 0.00 H new ATOM 1243 N ALA A 83 13.165 4.520 0.271 1.00 0.00 N ATOM 1244 CA ALA A 83 13.627 4.578 1.644 1.00 0.00 C ATOM 1245 C ALA A 83 15.056 5.094 1.670 1.00 0.00 C ATOM 1246 O ALA A 83 15.636 5.340 2.737 1.00 0.00 O ATOM 1247 CB ALA A 83 13.547 3.206 2.301 1.00 0.00 C ATOM 0 H ALA A 83 13.292 3.612 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 83 12.985 5.256 2.206 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.899 3.274 3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.514 2.858 2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.171 2.502 1.750 1.00 0.00 H new